USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 HIS : no HD1:sc= -0.0208 X(o=-0.04,f=0) USER MOD Set 1.2: A 48 CYS SG : rot 180:sc= -0.0192 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0208) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.675 K(o=0.67,f=-6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0159) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -38:sc= 0.232 USER MOD Single : A 30 LYS NZ :NH3+ 146:sc= 0.638 (180deg=0.418) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -30:sc= 0.264 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.591 X(o=-0.59,f=-0.13) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 6 9.971 4.736 1.743 1.00 0.00 N ATOM 51 CA LEU A 6 9.234 5.029 2.975 1.00 0.00 C ATOM 52 C LEU A 6 7.939 4.198 2.999 1.00 0.00 C ATOM 53 O LEU A 6 6.843 4.760 2.996 1.00 0.00 O ATOM 54 CB LEU A 6 8.940 6.554 3.017 1.00 0.00 C ATOM 55 CG LEU A 6 10.186 7.481 2.854 1.00 0.00 C ATOM 56 CD1 LEU A 6 9.772 8.944 2.578 1.00 0.00 C ATOM 57 CD2 LEU A 6 11.123 7.376 4.078 1.00 0.00 C ATOM 0 HA LEU A 6 9.817 4.762 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.226 6.791 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.456 6.788 3.965 1.00 0.00 H new ATOM 0 HG LEU A 6 10.743 7.135 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.664 9.560 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.186 8.989 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.173 9.316 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.982 8.032 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.583 7.674 4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.467 6.347 4.186 1.00 0.00 H new ATOM 69 N TYR A 7 8.106 2.853 2.981 1.00 0.00 N ATOM 70 CA TYR A 7 7.009 1.848 2.960 1.00 0.00 C ATOM 71 C TYR A 7 5.771 2.292 3.758 1.00 0.00 C ATOM 72 O TYR A 7 4.711 2.574 3.189 1.00 0.00 O ATOM 73 CB TYR A 7 7.535 0.500 3.524 1.00 0.00 C ATOM 74 CG TYR A 7 8.575 -0.193 2.637 1.00 0.00 C ATOM 75 CD1 TYR A 7 8.195 -0.872 1.476 1.00 0.00 C ATOM 76 CD2 TYR A 7 9.932 -0.169 2.961 1.00 0.00 C ATOM 77 CE1 TYR A 7 9.134 -1.507 0.681 1.00 0.00 C ATOM 78 CE2 TYR A 7 10.868 -0.798 2.169 1.00 0.00 C ATOM 79 CZ TYR A 7 10.467 -1.463 1.033 1.00 0.00 C ATOM 80 OH TYR A 7 11.406 -2.109 0.258 1.00 0.00 O ATOM 0 H TYR A 7 9.031 2.423 2.981 1.00 0.00 H new ATOM 0 HA TYR A 7 6.695 1.737 1.922 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.973 0.677 4.506 1.00 0.00 H new ATOM 0 HB3 TYR A 7 6.691 -0.174 3.668 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.153 -0.902 1.195 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.255 0.353 3.850 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.825 -2.034 -0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 7 11.913 -0.769 2.439 1.00 0.00 H new ATOM 0 HH TYR A 7 12.296 -1.977 0.645 1.00 0.00 H new ATOM 90 N GLU A 8 5.955 2.364 5.068 1.00 0.00 N ATOM 91 CA GLU A 8 4.987 2.896 6.005 1.00 0.00 C ATOM 92 C GLU A 8 5.779 3.312 7.230 1.00 0.00 C ATOM 93 O GLU A 8 6.349 2.453 7.879 1.00 0.00 O ATOM 94 CB GLU A 8 3.929 1.821 6.368 1.00 0.00 C ATOM 95 CG GLU A 8 2.869 2.273 7.380 1.00 0.00 C ATOM 96 CD GLU A 8 1.975 3.413 6.872 1.00 0.00 C ATOM 97 OE1 GLU A 8 1.120 3.151 5.995 1.00 0.00 O ATOM 98 OE2 GLU A 8 2.123 4.568 7.338 1.00 0.00 O ATOM 0 H GLU A 8 6.811 2.042 5.519 1.00 0.00 H new ATOM 0 HA GLU A 8 4.441 3.739 5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.426 1.504 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.443 0.947 6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.242 1.420 7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.367 2.594 8.295 1.00 0.00 H new ATOM 105 N VAL A 9 5.879 4.612 7.507 1.00 0.00 N ATOM 106 CA VAL A 9 6.638 5.098 8.672 1.00 0.00 C ATOM 107 C VAL A 9 5.743 5.118 9.917 1.00 0.00 C ATOM 108 O VAL A 9 4.538 5.381 9.827 1.00 0.00 O ATOM 109 CB VAL A 9 7.272 6.517 8.421 1.00 0.00 C ATOM 110 CG1 VAL A 9 8.282 6.457 7.243 1.00 0.00 C ATOM 111 CG2 VAL A 9 6.182 7.597 8.185 1.00 0.00 C ATOM 0 H VAL A 9 5.449 5.348 6.947 1.00 0.00 H new ATOM 0 HA VAL A 9 7.463 4.405 8.836 1.00 0.00 H new ATOM 0 HB VAL A 9 7.816 6.809 9.319 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.712 7.446 7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.077 5.750 7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.767 6.133 6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.658 8.563 8.015 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.586 7.328 7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.536 7.659 9.061 1.00 0.00 H new ATOM 121 N GLU A 10 6.334 4.776 11.069 1.00 0.00 N ATOM 122 CA GLU A 10 5.720 5.014 12.371 1.00 0.00 C ATOM 123 C GLU A 10 5.813 6.518 12.677 1.00 0.00 C ATOM 124 O GLU A 10 4.785 7.184 12.849 1.00 0.00 O ATOM 125 CB GLU A 10 6.438 4.186 13.469 1.00 0.00 C ATOM 126 CG GLU A 10 5.958 4.434 14.916 1.00 0.00 C ATOM 127 CD GLU A 10 4.565 3.876 15.204 1.00 0.00 C ATOM 128 OE1 GLU A 10 3.561 4.583 14.977 1.00 0.00 O ATOM 129 OE2 GLU A 10 4.465 2.705 15.644 1.00 0.00 O ATOM 0 H GLU A 10 7.249 4.328 11.119 1.00 0.00 H new ATOM 0 HA GLU A 10 4.675 4.703 12.355 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.312 3.128 13.240 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.506 4.399 13.418 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.670 3.984 15.608 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.958 5.506 15.111 1.00 0.00 H new ATOM 136 N ARG A 11 7.067 7.040 12.683 1.00 0.00 N ATOM 137 CA ARG A 11 7.365 8.457 13.021 1.00 0.00 C ATOM 138 C ARG A 11 8.889 8.671 13.019 1.00 0.00 C ATOM 139 O ARG A 11 9.655 7.733 12.738 1.00 0.00 O ATOM 140 CB ARG A 11 6.754 8.860 14.415 1.00 0.00 C ATOM 141 CG ARG A 11 7.426 8.215 15.649 1.00 0.00 C ATOM 142 CD ARG A 11 6.557 8.302 16.926 1.00 0.00 C ATOM 143 NE ARG A 11 6.090 9.680 17.206 1.00 0.00 N ATOM 144 CZ ARG A 11 5.147 10.025 18.108 1.00 0.00 C ATOM 145 NH1 ARG A 11 4.571 9.120 18.885 1.00 0.00 N ATOM 146 NH2 ARG A 11 4.780 11.295 18.209 1.00 0.00 N ATOM 0 H ARG A 11 7.897 6.493 12.455 1.00 0.00 H new ATOM 0 HA ARG A 11 6.904 9.097 12.268 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.811 9.944 14.517 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.697 8.595 14.419 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.641 7.168 15.433 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.382 8.705 15.833 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.694 7.645 16.819 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.132 7.937 17.777 1.00 0.00 H new ATOM 0 HE ARG A 11 6.519 10.434 16.670 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.838 8.138 18.809 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.861 9.405 19.559 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.209 11.999 17.609 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.068 11.568 18.887 1.00 0.00 H new ATOM 160 N ILE A 12 9.324 9.908 13.311 1.00 0.00 N ATOM 161 CA ILE A 12 10.740 10.199 13.561 1.00 0.00 C ATOM 162 C ILE A 12 11.083 9.845 15.012 1.00 0.00 C ATOM 163 O ILE A 12 10.340 10.193 15.943 1.00 0.00 O ATOM 164 CB ILE A 12 11.120 11.702 13.294 1.00 0.00 C ATOM 165 CG1 ILE A 12 10.703 12.126 11.852 1.00 0.00 C ATOM 166 CG2 ILE A 12 12.643 11.952 13.535 1.00 0.00 C ATOM 167 CD1 ILE A 12 11.269 13.459 11.395 1.00 0.00 C ATOM 0 H ILE A 12 8.712 10.721 13.379 1.00 0.00 H new ATOM 0 HA ILE A 12 11.316 9.593 12.862 1.00 0.00 H new ATOM 0 HB ILE A 12 10.570 12.320 14.003 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.022 11.352 11.154 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.615 12.172 11.801 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.875 13.000 13.342 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.893 11.709 14.568 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.226 11.322 12.863 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.927 13.672 10.382 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.929 14.248 12.066 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.358 13.416 11.408 1.00 0.00 H new ATOM 179 N VAL A 13 12.190 9.122 15.166 1.00 0.00 N ATOM 180 CA VAL A 13 12.794 8.795 16.457 1.00 0.00 C ATOM 181 C VAL A 13 13.587 10.006 16.968 1.00 0.00 C ATOM 182 O VAL A 13 13.290 10.559 18.037 1.00 0.00 O ATOM 183 CB VAL A 13 13.765 7.566 16.303 1.00 0.00 C ATOM 184 CG1 VAL A 13 14.492 7.232 17.621 1.00 0.00 C ATOM 185 CG2 VAL A 13 13.031 6.344 15.737 1.00 0.00 C ATOM 0 H VAL A 13 12.706 8.737 14.375 1.00 0.00 H new ATOM 0 HA VAL A 13 12.006 8.542 17.166 1.00 0.00 H new ATOM 0 HB VAL A 13 14.533 7.852 15.585 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.151 6.378 17.467 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.081 8.092 17.939 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.758 6.990 18.390 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.729 5.512 15.643 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.220 6.063 16.409 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.622 6.587 14.757 1.00 0.00 H new ATOM 195 N ASP A 14 14.580 10.410 16.158 1.00 0.00 N ATOM 196 CA ASP A 14 15.587 11.407 16.537 1.00 0.00 C ATOM 197 C ASP A 14 16.316 11.884 15.262 1.00 0.00 C ATOM 198 O ASP A 14 15.880 11.567 14.156 1.00 0.00 O ATOM 199 CB ASP A 14 16.565 10.795 17.585 1.00 0.00 C ATOM 200 CG ASP A 14 17.367 11.858 18.356 1.00 0.00 C ATOM 201 OD1 ASP A 14 16.755 12.623 19.126 1.00 0.00 O ATOM 202 OD2 ASP A 14 18.596 11.951 18.172 1.00 0.00 O ATOM 0 H ASP A 14 14.705 10.048 15.213 1.00 0.00 H new ATOM 0 HA ASP A 14 15.118 12.273 17.004 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.997 10.192 18.294 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.258 10.123 17.078 1.00 0.00 H new ATOM 207 N LYS A 15 17.393 12.680 15.401 1.00 0.00 N ATOM 208 CA LYS A 15 18.251 13.068 14.268 1.00 0.00 C ATOM 209 C LYS A 15 19.729 13.022 14.694 1.00 0.00 C ATOM 210 O LYS A 15 20.045 12.932 15.888 1.00 0.00 O ATOM 211 CB LYS A 15 17.839 14.480 13.717 1.00 0.00 C ATOM 212 CG LYS A 15 18.297 15.714 14.542 1.00 0.00 C ATOM 213 CD LYS A 15 19.655 16.301 14.084 1.00 0.00 C ATOM 214 CE LYS A 15 20.138 17.449 14.978 1.00 0.00 C ATOM 215 NZ LYS A 15 19.185 18.586 15.022 1.00 0.00 N ATOM 0 H LYS A 15 17.690 13.069 16.296 1.00 0.00 H new ATOM 0 HA LYS A 15 18.115 12.357 13.453 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.237 14.580 12.707 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.752 14.509 13.636 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.534 16.490 14.473 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.369 15.431 15.592 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.405 15.510 14.080 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.564 16.659 13.059 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.295 17.074 15.989 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.103 17.804 14.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.578 19.346 15.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.027 18.944 14.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.281 18.266 15.425 1.00 0.00 H new ATOM 229 N ARG A 16 20.618 13.087 13.699 1.00 0.00 N ATOM 230 CA ARG A 16 22.074 13.191 13.900 1.00 0.00 C ATOM 231 C ARG A 16 22.698 13.842 12.655 1.00 0.00 C ATOM 232 O ARG A 16 22.037 13.978 11.612 1.00 0.00 O ATOM 233 CB ARG A 16 22.686 11.789 14.218 1.00 0.00 C ATOM 234 CG ARG A 16 22.634 10.738 13.068 1.00 0.00 C ATOM 235 CD ARG A 16 23.928 10.680 12.234 1.00 0.00 C ATOM 236 NE ARG A 16 23.822 9.768 11.081 1.00 0.00 N ATOM 237 CZ ARG A 16 24.451 8.587 10.953 1.00 0.00 C ATOM 238 NH1 ARG A 16 25.155 8.068 11.950 1.00 0.00 N ATOM 239 NH2 ARG A 16 24.356 7.922 9.812 1.00 0.00 N ATOM 0 H ARG A 16 20.347 13.069 12.716 1.00 0.00 H new ATOM 0 HA ARG A 16 22.295 13.822 14.761 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.727 11.928 14.508 1.00 0.00 H new ATOM 0 HB3 ARG A 16 22.166 11.377 15.083 1.00 0.00 H new ATOM 0 HG2 ARG A 16 22.440 9.753 13.494 1.00 0.00 H new ATOM 0 HG3 ARG A 16 21.797 10.971 12.410 1.00 0.00 H new ATOM 0 HD2 ARG A 16 24.171 11.681 11.879 1.00 0.00 H new ATOM 0 HD3 ARG A 16 24.752 10.359 12.871 1.00 0.00 H new ATOM 0 HE ARG A 16 23.218 10.059 10.312 1.00 0.00 H new ATOM 0 HH11 ARG A 16 25.227 8.567 12.837 1.00 0.00 H new ATOM 0 HH12 ARG A 16 25.624 7.170 11.830 1.00 0.00 H new ATOM 0 HH21 ARG A 16 23.810 8.307 9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 16 24.829 7.025 9.704 1.00 0.00 H new ATOM 253 N LYS A 17 23.962 14.253 12.763 1.00 0.00 N ATOM 254 CA LYS A 17 24.701 14.859 11.644 1.00 0.00 C ATOM 255 C LYS A 17 25.531 13.774 10.936 1.00 0.00 C ATOM 256 O LYS A 17 26.181 12.952 11.597 1.00 0.00 O ATOM 257 CB LYS A 17 25.609 16.041 12.132 1.00 0.00 C ATOM 258 CG LYS A 17 25.674 17.265 11.174 1.00 0.00 C ATOM 259 CD LYS A 17 24.594 18.358 11.429 1.00 0.00 C ATOM 260 CE LYS A 17 23.142 17.921 11.144 1.00 0.00 C ATOM 261 NZ LYS A 17 22.196 19.057 11.253 1.00 0.00 N ATOM 0 H LYS A 17 24.505 14.178 13.623 1.00 0.00 H new ATOM 0 HA LYS A 17 23.987 15.280 10.936 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.247 16.379 13.103 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.620 15.663 12.282 1.00 0.00 H new ATOM 0 HG2 LYS A 17 26.660 17.722 11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.575 16.910 10.148 1.00 0.00 H new ATOM 0 HD2 LYS A 17 24.663 18.680 12.468 1.00 0.00 H new ATOM 0 HD3 LYS A 17 24.824 19.226 10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 17 23.081 17.491 10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.853 17.138 11.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.231 18.725 11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.236 19.451 12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 22.457 19.793 10.566 1.00 0.00 H new ATOM 275 N ASN A 18 25.480 13.761 9.598 1.00 0.00 N ATOM 276 CA ASN A 18 26.264 12.831 8.755 1.00 0.00 C ATOM 277 C ASN A 18 27.780 13.126 8.884 1.00 0.00 C ATOM 278 O ASN A 18 28.172 14.179 9.407 1.00 0.00 O ATOM 279 CB ASN A 18 25.766 12.949 7.282 1.00 0.00 C ATOM 280 CG ASN A 18 26.419 11.980 6.288 1.00 0.00 C ATOM 281 OD1 ASN A 18 27.314 12.348 5.543 1.00 0.00 O ATOM 282 ND2 ASN A 18 26.000 10.726 6.300 1.00 0.00 N ATOM 0 H ASN A 18 24.892 14.397 9.060 1.00 0.00 H new ATOM 0 HA ASN A 18 26.116 11.804 9.090 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.688 12.787 7.267 1.00 0.00 H new ATOM 0 HB3 ASN A 18 25.940 13.968 6.938 1.00 0.00 H new ATOM 0 HD21 ASN A 18 26.426 10.040 5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.251 10.445 6.932 1.00 0.00 H new ATOM 289 N LYS A 19 28.617 12.178 8.431 1.00 0.00 N ATOM 290 CA LYS A 19 30.092 12.344 8.328 1.00 0.00 C ATOM 291 C LYS A 19 30.466 13.607 7.511 1.00 0.00 C ATOM 292 O LYS A 19 31.450 14.299 7.804 1.00 0.00 O ATOM 293 CB LYS A 19 30.705 11.078 7.669 1.00 0.00 C ATOM 294 CG LYS A 19 30.016 10.668 6.343 1.00 0.00 C ATOM 295 CD LYS A 19 30.760 9.566 5.576 1.00 0.00 C ATOM 296 CE LYS A 19 29.994 9.119 4.321 1.00 0.00 C ATOM 297 NZ LYS A 19 30.716 8.069 3.566 1.00 0.00 N ATOM 0 H LYS A 19 28.294 11.262 8.121 1.00 0.00 H new ATOM 0 HA LYS A 19 30.497 12.471 9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 19 31.763 11.255 7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 19 30.643 10.247 8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 19 29.004 10.327 6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 19 29.926 11.546 5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 19 31.747 9.928 5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 19 30.913 8.709 6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 19 29.012 8.745 4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 19 29.828 9.980 3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 30.161 7.800 2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 31.643 8.433 3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 30.852 7.236 4.174 1.00 0.00 H new ATOM 311 N LYS A 20 29.648 13.878 6.486 1.00 0.00 N ATOM 312 CA LYS A 20 29.766 15.052 5.602 1.00 0.00 C ATOM 313 C LYS A 20 29.196 16.334 6.283 1.00 0.00 C ATOM 314 O LYS A 20 29.394 17.459 5.798 1.00 0.00 O ATOM 315 CB LYS A 20 29.035 14.717 4.267 1.00 0.00 C ATOM 316 CG LYS A 20 28.996 15.832 3.198 1.00 0.00 C ATOM 317 CD LYS A 20 28.250 15.382 1.914 1.00 0.00 C ATOM 318 CE LYS A 20 27.902 16.548 0.971 1.00 0.00 C ATOM 319 NZ LYS A 20 29.099 17.337 0.585 1.00 0.00 N ATOM 0 H LYS A 20 28.865 13.273 6.240 1.00 0.00 H new ATOM 0 HA LYS A 20 30.814 15.269 5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 20 29.513 13.841 3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 20 28.009 14.435 4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 20 28.506 16.713 3.612 1.00 0.00 H new ATOM 0 HG3 LYS A 20 30.014 16.124 2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 20 28.867 14.662 1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 20 27.332 14.867 2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 20 27.423 16.156 0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 20 27.179 17.203 1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 28.832 18.046 -0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 29.484 17.817 1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 29.820 16.702 0.188 1.00 0.00 H new ATOM 333 N GLY A 21 28.520 16.148 7.429 1.00 0.00 N ATOM 334 CA GLY A 21 27.948 17.248 8.214 1.00 0.00 C ATOM 335 C GLY A 21 26.568 17.653 7.724 1.00 0.00 C ATOM 336 O GLY A 21 26.212 18.834 7.732 1.00 0.00 O ATOM 0 H GLY A 21 28.356 15.227 7.836 1.00 0.00 H new ATOM 0 HA2 GLY A 21 27.886 16.950 9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 21 28.614 18.109 8.167 1.00 0.00 H new ATOM 340 N LYS A 22 25.797 16.655 7.277 1.00 0.00 N ATOM 341 CA LYS A 22 24.479 16.858 6.645 1.00 0.00 C ATOM 342 C LYS A 22 23.331 16.485 7.592 1.00 0.00 C ATOM 343 O LYS A 22 23.524 15.750 8.564 1.00 0.00 O ATOM 344 CB LYS A 22 24.404 16.008 5.357 1.00 0.00 C ATOM 345 CG LYS A 22 25.527 16.305 4.342 1.00 0.00 C ATOM 346 CD LYS A 22 25.477 17.743 3.770 1.00 0.00 C ATOM 347 CE LYS A 22 24.275 17.975 2.848 1.00 0.00 C ATOM 348 NZ LYS A 22 24.194 19.370 2.376 1.00 0.00 N ATOM 0 H LYS A 22 26.068 15.674 7.342 1.00 0.00 H new ATOM 0 HA LYS A 22 24.370 17.915 6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.443 14.953 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 22 23.440 16.179 4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.492 16.147 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 22 25.461 15.593 3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 22 25.440 18.456 4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.396 17.942 3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 22 24.344 17.307 1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 22 23.358 17.719 3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.366 19.479 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 24.102 20.008 3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 25.057 19.608 1.846 1.00 0.00 H new ATOM 362 N TRP A 23 22.136 17.014 7.290 1.00 0.00 N ATOM 363 CA TRP A 23 20.901 16.722 8.035 1.00 0.00 C ATOM 364 C TRP A 23 20.480 15.263 7.796 1.00 0.00 C ATOM 365 O TRP A 23 20.112 14.902 6.675 1.00 0.00 O ATOM 366 CB TRP A 23 19.750 17.676 7.580 1.00 0.00 C ATOM 367 CG TRP A 23 19.959 19.151 7.864 1.00 0.00 C ATOM 368 CD1 TRP A 23 21.072 19.901 7.607 1.00 0.00 C ATOM 369 CD2 TRP A 23 18.995 20.059 8.420 1.00 0.00 C ATOM 370 NE1 TRP A 23 20.866 21.201 7.981 1.00 0.00 N ATOM 371 CE2 TRP A 23 19.600 21.324 8.485 1.00 0.00 C ATOM 372 CE3 TRP A 23 17.679 19.915 8.876 1.00 0.00 C ATOM 373 CZ2 TRP A 23 18.936 22.444 8.986 1.00 0.00 C ATOM 374 CZ3 TRP A 23 17.017 21.023 9.369 1.00 0.00 C ATOM 375 CH2 TRP A 23 17.648 22.274 9.424 1.00 0.00 C ATOM 0 H TRP A 23 21.998 17.662 6.515 1.00 0.00 H new ATOM 0 HA TRP A 23 21.092 16.878 9.097 1.00 0.00 H new ATOM 0 HB2 TRP A 23 19.603 17.550 6.507 1.00 0.00 H new ATOM 0 HB3 TRP A 23 18.828 17.359 8.068 1.00 0.00 H new ATOM 0 HD1 TRP A 23 21.984 19.522 7.171 1.00 0.00 H new ATOM 0 HE1 TRP A 23 21.546 21.956 7.898 1.00 0.00 H new ATOM 0 HE3 TRP A 23 17.189 18.953 8.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 19.419 23.409 9.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 15.999 20.924 9.717 1.00 0.00 H new ATOM 0 HH2 TRP A 23 17.108 23.121 9.820 1.00 0.00 H new ATOM 386 N GLU A 24 20.560 14.428 8.842 1.00 0.00 N ATOM 387 CA GLU A 24 19.998 13.065 8.828 1.00 0.00 C ATOM 388 C GLU A 24 19.079 12.904 10.021 1.00 0.00 C ATOM 389 O GLU A 24 19.304 13.509 11.067 1.00 0.00 O ATOM 390 CB GLU A 24 21.089 11.969 8.879 1.00 0.00 C ATOM 391 CG GLU A 24 22.003 11.916 7.649 1.00 0.00 C ATOM 392 CD GLU A 24 22.714 10.566 7.505 1.00 0.00 C ATOM 393 OE1 GLU A 24 23.703 10.322 8.219 1.00 0.00 O ATOM 394 OE2 GLU A 24 22.271 9.733 6.692 1.00 0.00 O ATOM 0 H GLU A 24 21.015 14.675 9.721 1.00 0.00 H new ATOM 0 HA GLU A 24 19.456 12.941 7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 24 21.704 12.129 9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.605 10.999 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 24 21.413 12.110 6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 24 22.747 12.709 7.719 1.00 0.00 H new ATOM 401 N TYR A 25 18.036 12.092 9.857 1.00 0.00 N ATOM 402 CA TYR A 25 17.063 11.817 10.911 1.00 0.00 C ATOM 403 C TYR A 25 16.905 10.301 11.077 1.00 0.00 C ATOM 404 O TYR A 25 16.761 9.570 10.090 1.00 0.00 O ATOM 405 CB TYR A 25 15.697 12.472 10.585 1.00 0.00 C ATOM 406 CG TYR A 25 15.655 14.018 10.620 1.00 0.00 C ATOM 407 CD1 TYR A 25 16.340 14.789 9.669 1.00 0.00 C ATOM 408 CD2 TYR A 25 14.897 14.707 11.578 1.00 0.00 C ATOM 409 CE1 TYR A 25 16.267 16.169 9.671 1.00 0.00 C ATOM 410 CE2 TYR A 25 14.830 16.087 11.581 1.00 0.00 C ATOM 411 CZ TYR A 25 15.516 16.810 10.632 1.00 0.00 C ATOM 412 OH TYR A 25 15.444 18.184 10.640 1.00 0.00 O ATOM 0 H TYR A 25 17.842 11.604 8.983 1.00 0.00 H new ATOM 0 HA TYR A 25 17.424 12.246 11.846 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.388 12.143 9.593 1.00 0.00 H new ATOM 0 HB3 TYR A 25 14.958 12.093 11.291 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.938 14.293 8.919 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.356 14.148 12.327 1.00 0.00 H new ATOM 0 HE1 TYR A 25 16.796 16.742 8.923 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.240 16.598 12.327 1.00 0.00 H new ATOM 0 HH TYR A 25 16.317 18.559 10.401 1.00 0.00 H new ATOM 422 N LEU A 26 16.963 9.847 12.332 1.00 0.00 N ATOM 423 CA LEU A 26 16.679 8.470 12.709 1.00 0.00 C ATOM 424 C LEU A 26 15.156 8.260 12.625 1.00 0.00 C ATOM 425 O LEU A 26 14.409 8.857 13.401 1.00 0.00 O ATOM 426 CB LEU A 26 17.204 8.207 14.153 1.00 0.00 C ATOM 427 CG LEU A 26 17.281 6.722 14.602 1.00 0.00 C ATOM 428 CD1 LEU A 26 18.208 5.914 13.684 1.00 0.00 C ATOM 429 CD2 LEU A 26 17.738 6.608 16.075 1.00 0.00 C ATOM 0 H LEU A 26 17.213 10.440 13.123 1.00 0.00 H new ATOM 0 HA LEU A 26 17.179 7.770 12.039 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.200 8.641 14.238 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.562 8.742 14.852 1.00 0.00 H new ATOM 0 HG LEU A 26 16.278 6.302 14.525 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.243 4.878 14.022 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.830 5.950 12.662 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.211 6.339 13.714 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.783 5.557 16.362 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.725 7.057 16.185 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.029 7.130 16.717 1.00 0.00 H new ATOM 441 N ILE A 27 14.706 7.489 11.623 1.00 0.00 N ATOM 442 CA ILE A 27 13.272 7.200 11.389 1.00 0.00 C ATOM 443 C ILE A 27 12.996 5.717 11.699 1.00 0.00 C ATOM 444 O ILE A 27 13.883 4.870 11.559 1.00 0.00 O ATOM 445 CB ILE A 27 12.827 7.494 9.888 1.00 0.00 C ATOM 446 CG1 ILE A 27 13.486 8.790 9.312 1.00 0.00 C ATOM 447 CG2 ILE A 27 11.278 7.569 9.753 1.00 0.00 C ATOM 448 CD1 ILE A 27 13.063 10.067 9.999 1.00 0.00 C ATOM 0 H ILE A 27 15.325 7.044 10.946 1.00 0.00 H new ATOM 0 HA ILE A 27 12.699 7.856 12.045 1.00 0.00 H new ATOM 0 HB ILE A 27 13.185 6.652 9.295 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.569 8.695 9.385 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.244 8.865 8.252 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.013 7.771 8.715 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.840 6.620 10.062 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.896 8.369 10.387 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.568 10.914 9.535 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.984 10.191 9.904 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.331 10.018 11.054 1.00 0.00 H new ATOM 460 N ARG A 28 11.753 5.425 12.104 1.00 0.00 N ATOM 461 CA ARG A 28 11.262 4.059 12.335 1.00 0.00 C ATOM 462 C ARG A 28 10.007 3.823 11.476 1.00 0.00 C ATOM 463 O ARG A 28 9.140 4.710 11.372 1.00 0.00 O ATOM 464 CB ARG A 28 10.943 3.853 13.835 1.00 0.00 C ATOM 465 CG ARG A 28 9.978 4.904 14.431 1.00 0.00 C ATOM 466 CD ARG A 28 9.555 4.588 15.869 1.00 0.00 C ATOM 467 NE ARG A 28 8.900 3.269 15.975 1.00 0.00 N ATOM 468 CZ ARG A 28 8.685 2.596 17.112 1.00 0.00 C ATOM 469 NH1 ARG A 28 9.142 3.039 18.272 1.00 0.00 N ATOM 470 NH2 ARG A 28 8.033 1.455 17.068 1.00 0.00 N ATOM 0 H ARG A 28 11.049 6.141 12.283 1.00 0.00 H new ATOM 0 HA ARG A 28 12.031 3.340 12.051 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.510 2.862 13.969 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.876 3.872 14.399 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.457 5.883 14.407 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.089 4.969 13.804 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.430 4.611 16.518 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.874 5.361 16.225 1.00 0.00 H new ATOM 0 HE ARG A 28 8.585 2.834 15.108 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.670 3.910 18.313 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.966 2.509 19.126 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.698 1.093 16.175 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.862 0.932 17.927 1.00 0.00 H new ATOM 484 N TRP A 29 9.947 2.638 10.839 1.00 0.00 N ATOM 485 CA TRP A 29 8.796 2.185 10.038 1.00 0.00 C ATOM 486 C TRP A 29 7.825 1.389 10.926 1.00 0.00 C ATOM 487 O TRP A 29 8.228 0.796 11.932 1.00 0.00 O ATOM 488 CB TRP A 29 9.238 1.323 8.820 1.00 0.00 C ATOM 489 CG TRP A 29 9.767 2.072 7.602 1.00 0.00 C ATOM 490 CD1 TRP A 29 9.273 1.977 6.334 1.00 0.00 C ATOM 491 CD2 TRP A 29 10.872 2.997 7.515 1.00 0.00 C ATOM 492 NE1 TRP A 29 9.999 2.746 5.474 1.00 0.00 N ATOM 493 CE2 TRP A 29 10.980 3.383 6.169 1.00 0.00 C ATOM 494 CE3 TRP A 29 11.785 3.531 8.426 1.00 0.00 C ATOM 495 CZ2 TRP A 29 11.949 4.269 5.722 1.00 0.00 C ATOM 496 CZ3 TRP A 29 12.742 4.409 7.983 1.00 0.00 C ATOM 497 CH2 TRP A 29 12.820 4.770 6.639 1.00 0.00 C ATOM 0 H TRP A 29 10.708 1.960 10.867 1.00 0.00 H new ATOM 0 HA TRP A 29 8.294 3.070 9.646 1.00 0.00 H new ATOM 0 HB2 TRP A 29 10.011 0.632 9.156 1.00 0.00 H new ATOM 0 HB3 TRP A 29 8.387 0.720 8.504 1.00 0.00 H new ATOM 0 HD1 TRP A 29 8.423 1.375 6.050 1.00 0.00 H new ATOM 0 HE1 TRP A 29 9.833 2.830 4.471 1.00 0.00 H new ATOM 0 HE3 TRP A 29 11.739 3.256 9.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 12.010 4.552 4.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 13.446 4.827 8.687 1.00 0.00 H new ATOM 0 HH2 TRP A 29 13.586 5.461 6.320 1.00 0.00 H new ATOM 508 N LYS A 30 6.558 1.348 10.497 1.00 0.00 N ATOM 509 CA LYS A 30 5.440 0.812 11.275 1.00 0.00 C ATOM 510 C LYS A 30 5.520 -0.724 11.322 1.00 0.00 C ATOM 511 O LYS A 30 5.639 -1.366 10.275 1.00 0.00 O ATOM 512 CB LYS A 30 4.096 1.265 10.646 1.00 0.00 C ATOM 513 CG LYS A 30 2.847 0.986 11.510 1.00 0.00 C ATOM 514 CD LYS A 30 2.855 1.803 12.816 1.00 0.00 C ATOM 515 CE LYS A 30 1.612 1.566 13.684 1.00 0.00 C ATOM 516 NZ LYS A 30 1.634 2.387 14.914 1.00 0.00 N ATOM 0 H LYS A 30 6.278 1.694 9.579 1.00 0.00 H new ATOM 0 HA LYS A 30 5.497 1.194 12.294 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.148 2.335 10.444 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.974 0.765 9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.950 1.225 10.938 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.800 -0.077 11.747 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.746 1.549 13.391 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.924 2.863 12.573 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.717 1.799 13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.552 0.511 13.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.663 2.666 15.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.045 1.834 15.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.209 3.239 14.753 1.00 0.00 H new ATOM 530 N GLY A 31 5.478 -1.282 12.543 1.00 0.00 N ATOM 531 CA GLY A 31 5.596 -2.724 12.769 1.00 0.00 C ATOM 532 C GLY A 31 7.030 -3.165 13.044 1.00 0.00 C ATOM 533 O GLY A 31 7.263 -4.135 13.776 1.00 0.00 O ATOM 0 H GLY A 31 5.361 -0.741 13.400 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.966 -3.008 13.612 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.219 -3.256 11.896 1.00 0.00 H new ATOM 537 N TYR A 32 8.001 -2.428 12.474 1.00 0.00 N ATOM 538 CA TYR A 32 9.431 -2.756 12.594 1.00 0.00 C ATOM 539 C TYR A 32 10.011 -2.022 13.819 1.00 0.00 C ATOM 540 O TYR A 32 10.495 -2.646 14.771 1.00 0.00 O ATOM 541 CB TYR A 32 10.183 -2.349 11.312 1.00 0.00 C ATOM 542 CG TYR A 32 9.628 -2.932 10.009 1.00 0.00 C ATOM 543 CD1 TYR A 32 10.049 -4.177 9.533 1.00 0.00 C ATOM 544 CD2 TYR A 32 8.714 -2.217 9.234 1.00 0.00 C ATOM 545 CE1 TYR A 32 9.571 -4.682 8.340 1.00 0.00 C ATOM 546 CE2 TYR A 32 8.233 -2.722 8.046 1.00 0.00 C ATOM 547 CZ TYR A 32 8.669 -3.952 7.600 1.00 0.00 C ATOM 548 OH TYR A 32 8.198 -4.452 6.406 1.00 0.00 O ATOM 0 H TYR A 32 7.816 -1.592 11.920 1.00 0.00 H new ATOM 0 HA TYR A 32 9.551 -3.831 12.727 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.174 -1.262 11.236 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.225 -2.653 11.411 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.759 -4.753 10.107 1.00 0.00 H new ATOM 0 HD2 TYR A 32 8.377 -1.248 9.572 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.904 -5.647 7.989 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.518 -2.157 7.467 1.00 0.00 H new ATOM 0 HH TYR A 32 7.569 -3.814 6.010 1.00 0.00 H new ATOM 558 N GLY A 33 9.953 -0.678 13.743 1.00 0.00 N ATOM 559 CA GLY A 33 10.326 0.218 14.835 1.00 0.00 C ATOM 560 C GLY A 33 11.791 0.103 15.244 1.00 0.00 C ATOM 561 O GLY A 33 12.666 0.652 14.566 1.00 0.00 O ATOM 0 H GLY A 33 9.640 -0.186 12.906 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.120 1.246 14.537 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.698 0.005 15.700 1.00 0.00 H new ATOM 565 N SER A 34 12.036 -0.673 16.316 1.00 0.00 N ATOM 566 CA SER A 34 13.368 -0.862 16.920 1.00 0.00 C ATOM 567 C SER A 34 14.374 -1.434 15.897 1.00 0.00 C ATOM 568 O SER A 34 15.403 -0.810 15.602 1.00 0.00 O ATOM 569 CB SER A 34 13.251 -1.797 18.142 1.00 0.00 C ATOM 570 OG SER A 34 12.304 -1.306 19.080 1.00 0.00 O ATOM 0 H SER A 34 11.302 -1.195 16.795 1.00 0.00 H new ATOM 0 HA SER A 34 13.744 0.110 17.241 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.957 -2.794 17.813 1.00 0.00 H new ATOM 0 HB3 SER A 34 14.225 -1.894 18.622 1.00 0.00 H new ATOM 0 HG SER A 34 12.250 -1.920 19.842 1.00 0.00 H new ATOM 576 N THR A 35 14.014 -2.586 15.295 1.00 0.00 N ATOM 577 CA THR A 35 14.872 -3.286 14.309 1.00 0.00 C ATOM 578 C THR A 35 15.047 -2.480 13.001 1.00 0.00 C ATOM 579 O THR A 35 15.884 -2.825 12.162 1.00 0.00 O ATOM 580 CB THR A 35 14.288 -4.699 13.978 1.00 0.00 C ATOM 581 OG1 THR A 35 15.202 -5.436 13.144 1.00 0.00 O ATOM 582 CG2 THR A 35 12.912 -4.620 13.289 1.00 0.00 C ATOM 0 H THR A 35 13.127 -3.057 15.475 1.00 0.00 H new ATOM 0 HA THR A 35 15.855 -3.392 14.769 1.00 0.00 H new ATOM 0 HB THR A 35 14.154 -5.216 14.928 1.00 0.00 H new ATOM 0 HG1 THR A 35 15.710 -4.812 12.584 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.551 -5.627 13.081 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.206 -4.110 13.944 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.004 -4.067 12.354 1.00 0.00 H new ATOM 590 N GLU A 36 14.252 -1.415 12.839 1.00 0.00 N ATOM 591 CA GLU A 36 14.263 -0.580 11.637 1.00 0.00 C ATOM 592 C GLU A 36 15.215 0.609 11.782 1.00 0.00 C ATOM 593 O GLU A 36 15.899 0.935 10.806 1.00 0.00 O ATOM 594 CB GLU A 36 12.842 -0.059 11.333 1.00 0.00 C ATOM 595 CG GLU A 36 12.696 0.639 9.973 1.00 0.00 C ATOM 596 CD GLU A 36 12.838 -0.302 8.764 1.00 0.00 C ATOM 597 OE1 GLU A 36 11.824 -0.906 8.349 1.00 0.00 O ATOM 598 OE2 GLU A 36 13.957 -0.456 8.231 1.00 0.00 O ATOM 0 H GLU A 36 13.581 -1.109 13.543 1.00 0.00 H new ATOM 0 HA GLU A 36 14.613 -1.203 10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.145 -0.896 11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.549 0.638 12.118 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.721 1.125 9.929 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.447 1.425 9.898 1.00 0.00 H new ATOM 605 N ASP A 37 15.257 1.206 13.016 1.00 0.00 N ATOM 606 CA ASP A 37 15.838 2.558 13.288 1.00 0.00 C ATOM 607 C ASP A 37 17.069 2.881 12.410 1.00 0.00 C ATOM 608 O ASP A 37 18.189 2.485 12.732 1.00 0.00 O ATOM 609 CB ASP A 37 16.221 2.721 14.796 1.00 0.00 C ATOM 610 CG ASP A 37 15.045 2.607 15.776 1.00 0.00 C ATOM 611 OD1 ASP A 37 13.965 3.164 15.501 1.00 0.00 O ATOM 612 OD2 ASP A 37 15.204 1.969 16.846 1.00 0.00 O ATOM 0 H ASP A 37 14.885 0.757 13.853 1.00 0.00 H new ATOM 0 HA ASP A 37 15.053 3.268 13.030 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.963 1.964 15.051 1.00 0.00 H new ATOM 0 HB3 ASP A 37 16.696 3.692 14.932 1.00 0.00 H new ATOM 617 N THR A 38 16.828 3.580 11.282 1.00 0.00 N ATOM 618 CA THR A 38 17.856 3.892 10.266 1.00 0.00 C ATOM 619 C THR A 38 17.897 5.402 10.001 1.00 0.00 C ATOM 620 O THR A 38 16.896 6.104 10.190 1.00 0.00 O ATOM 621 CB THR A 38 17.588 3.118 8.928 1.00 0.00 C ATOM 622 OG1 THR A 38 18.583 3.447 7.933 1.00 0.00 O ATOM 623 CG2 THR A 38 16.182 3.394 8.362 1.00 0.00 C ATOM 0 H THR A 38 15.906 3.948 11.048 1.00 0.00 H new ATOM 0 HA THR A 38 18.822 3.570 10.656 1.00 0.00 H new ATOM 0 HB THR A 38 17.651 2.056 9.167 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.397 2.952 7.108 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.046 2.835 7.436 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.430 3.083 9.087 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.073 4.460 8.162 1.00 0.00 H new ATOM 631 N TRP A 39 19.059 5.896 9.555 1.00 0.00 N ATOM 632 CA TRP A 39 19.284 7.328 9.317 1.00 0.00 C ATOM 633 C TRP A 39 18.988 7.661 7.856 1.00 0.00 C ATOM 634 O TRP A 39 19.781 7.332 6.965 1.00 0.00 O ATOM 635 CB TRP A 39 20.737 7.709 9.665 1.00 0.00 C ATOM 636 CG TRP A 39 21.149 7.271 11.047 1.00 0.00 C ATOM 637 CD1 TRP A 39 20.845 7.883 12.229 1.00 0.00 C ATOM 638 CD2 TRP A 39 21.917 6.109 11.383 1.00 0.00 C ATOM 639 NE1 TRP A 39 21.404 7.192 13.270 1.00 0.00 N ATOM 640 CE2 TRP A 39 22.064 6.097 12.777 1.00 0.00 C ATOM 641 CE3 TRP A 39 22.508 5.083 10.632 1.00 0.00 C ATOM 642 CZ2 TRP A 39 22.772 5.100 13.444 1.00 0.00 C ATOM 643 CZ3 TRP A 39 23.207 4.094 11.295 1.00 0.00 C ATOM 644 CH2 TRP A 39 23.337 4.110 12.690 1.00 0.00 C ATOM 0 H TRP A 39 19.871 5.314 9.349 1.00 0.00 H new ATOM 0 HA TRP A 39 18.614 7.902 9.957 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.409 7.261 8.933 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.852 8.790 9.584 1.00 0.00 H new ATOM 0 HD1 TRP A 39 20.251 8.780 12.328 1.00 0.00 H new ATOM 0 HE1 TRP A 39 21.340 7.451 14.255 1.00 0.00 H new ATOM 0 HE3 TRP A 39 22.418 5.067 9.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 22.871 5.109 14.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 23.661 3.294 10.729 1.00 0.00 H new ATOM 0 HH2 TRP A 39 23.894 3.325 13.179 1.00 0.00 H new ATOM 655 N GLU A 40 17.824 8.255 7.612 1.00 0.00 N ATOM 656 CA GLU A 40 17.471 8.786 6.300 1.00 0.00 C ATOM 657 C GLU A 40 17.802 10.290 6.251 1.00 0.00 C ATOM 658 O GLU A 40 17.366 11.047 7.127 1.00 0.00 O ATOM 659 CB GLU A 40 15.979 8.532 5.998 1.00 0.00 C ATOM 660 CG GLU A 40 15.599 7.045 5.868 1.00 0.00 C ATOM 661 CD GLU A 40 16.376 6.318 4.753 1.00 0.00 C ATOM 662 OE1 GLU A 40 16.018 6.483 3.562 1.00 0.00 O ATOM 663 OE2 GLU A 40 17.361 5.594 5.059 1.00 0.00 O ATOM 0 H GLU A 40 17.099 8.382 8.318 1.00 0.00 H new ATOM 0 HA GLU A 40 18.053 8.275 5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.379 8.979 6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.716 9.044 5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.785 6.544 6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.530 6.965 5.669 1.00 0.00 H new ATOM 670 N PRO A 41 18.614 10.740 5.239 1.00 0.00 N ATOM 671 CA PRO A 41 18.962 12.168 5.055 1.00 0.00 C ATOM 672 C PRO A 41 17.726 13.022 4.730 1.00 0.00 C ATOM 673 O PRO A 41 16.656 12.475 4.467 1.00 0.00 O ATOM 674 CB PRO A 41 19.976 12.154 3.881 1.00 0.00 C ATOM 675 CG PRO A 41 19.744 10.860 3.173 1.00 0.00 C ATOM 676 CD PRO A 41 19.271 9.887 4.225 1.00 0.00 C ATOM 0 HA PRO A 41 19.375 12.615 5.959 1.00 0.00 H new ATOM 0 HB2 PRO A 41 19.817 13.001 3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 41 21.001 12.224 4.246 1.00 0.00 H new ATOM 0 HG2 PRO A 41 18.999 10.975 2.385 1.00 0.00 H new ATOM 0 HG3 PRO A 41 20.659 10.506 2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 41 18.577 9.157 3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 41 20.103 9.328 4.653 1.00 0.00 H new ATOM 684 N GLU A 42 17.906 14.352 4.736 1.00 0.00 N ATOM 685 CA GLU A 42 16.813 15.334 4.557 1.00 0.00 C ATOM 686 C GLU A 42 15.931 15.028 3.313 1.00 0.00 C ATOM 687 O GLU A 42 14.723 14.843 3.425 1.00 0.00 O ATOM 688 CB GLU A 42 17.410 16.760 4.442 1.00 0.00 C ATOM 689 CG GLU A 42 16.368 17.907 4.409 1.00 0.00 C ATOM 690 CD GLU A 42 16.922 19.211 3.814 1.00 0.00 C ATOM 691 OE1 GLU A 42 16.972 19.313 2.569 1.00 0.00 O ATOM 692 OE2 GLU A 42 17.312 20.130 4.571 1.00 0.00 O ATOM 0 H GLU A 42 18.820 14.785 4.866 1.00 0.00 H new ATOM 0 HA GLU A 42 16.167 15.265 5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 42 18.082 16.925 5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.014 16.812 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.504 17.588 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 42 16.016 18.099 5.423 1.00 0.00 H new ATOM 699 N HIS A 43 16.560 14.913 2.139 1.00 0.00 N ATOM 700 CA HIS A 43 15.839 14.680 0.866 1.00 0.00 C ATOM 701 C HIS A 43 15.231 13.260 0.775 1.00 0.00 C ATOM 702 O HIS A 43 14.497 12.969 -0.176 1.00 0.00 O ATOM 703 CB HIS A 43 16.773 14.957 -0.346 1.00 0.00 C ATOM 704 CG HIS A 43 17.055 16.423 -0.575 1.00 0.00 C ATOM 705 ND1 HIS A 43 18.159 17.080 -0.069 1.00 0.00 N ATOM 706 CD2 HIS A 43 16.365 17.354 -1.277 1.00 0.00 C ATOM 707 CE1 HIS A 43 18.129 18.347 -0.446 1.00 0.00 C ATOM 708 NE2 HIS A 43 17.054 18.536 -1.181 1.00 0.00 N ATOM 0 H HIS A 43 17.573 14.977 2.035 1.00 0.00 H new ATOM 0 HA HIS A 43 15.004 15.380 0.841 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.717 14.435 -0.192 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.320 14.539 -1.245 1.00 0.00 H new ATOM 0 HD2 HIS A 43 15.442 17.195 -1.814 1.00 0.00 H new ATOM 0 HE1 HIS A 43 18.862 19.099 -0.194 1.00 0.00 H new ATOM 0 HE2 HIS A 43 16.778 19.419 -1.610 1.00 0.00 H new ATOM 717 N HIS A 44 15.540 12.377 1.748 1.00 0.00 N ATOM 718 CA HIS A 44 15.004 11.001 1.775 1.00 0.00 C ATOM 719 C HIS A 44 14.034 10.767 2.947 1.00 0.00 C ATOM 720 O HIS A 44 13.217 9.847 2.863 1.00 0.00 O ATOM 721 CB HIS A 44 16.154 9.960 1.867 1.00 0.00 C ATOM 722 CG HIS A 44 17.079 9.917 0.666 1.00 0.00 C ATOM 723 ND1 HIS A 44 17.379 8.755 -0.009 1.00 0.00 N ATOM 724 CD2 HIS A 44 17.783 10.895 0.040 1.00 0.00 C ATOM 725 CE1 HIS A 44 18.229 9.014 -0.986 1.00 0.00 C ATOM 726 NE2 HIS A 44 18.488 10.301 -0.976 1.00 0.00 N ATOM 0 H HIS A 44 16.160 12.595 2.528 1.00 0.00 H new ATOM 0 HA HIS A 44 14.454 10.873 0.842 1.00 0.00 H new ATOM 0 HB2 HIS A 44 16.747 10.174 2.756 1.00 0.00 H new ATOM 0 HB3 HIS A 44 15.718 8.971 2.006 1.00 0.00 H new ATOM 0 HD2 HIS A 44 17.787 11.945 0.294 1.00 0.00 H new ATOM 0 HE1 HIS A 44 18.640 8.291 -1.675 1.00 0.00 H new ATOM 0 HE2 HIS A 44 19.114 10.783 -1.621 1.00 0.00 H new ATOM 735 N LEU A 45 14.107 11.593 4.028 1.00 0.00 N ATOM 736 CA LEU A 45 13.575 11.173 5.356 1.00 0.00 C ATOM 737 C LEU A 45 12.047 10.949 5.330 1.00 0.00 C ATOM 738 O LEU A 45 11.559 9.929 5.822 1.00 0.00 O ATOM 739 CB LEU A 45 13.975 12.152 6.516 1.00 0.00 C ATOM 740 CG LEU A 45 12.994 13.334 6.852 1.00 0.00 C ATOM 741 CD1 LEU A 45 13.224 13.875 8.256 1.00 0.00 C ATOM 742 CD2 LEU A 45 13.057 14.474 5.828 1.00 0.00 C ATOM 0 H LEU A 45 14.517 12.527 4.010 1.00 0.00 H new ATOM 0 HA LEU A 45 14.051 10.215 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.109 11.560 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.946 12.583 6.270 1.00 0.00 H new ATOM 0 HG LEU A 45 11.992 12.908 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.527 14.690 8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.064 13.079 8.983 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.246 14.243 8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.358 15.259 6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 45 14.068 14.881 5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.790 14.093 4.842 1.00 0.00 H new ATOM 754 N LEU A 46 11.323 11.905 4.737 1.00 0.00 N ATOM 755 CA LEU A 46 9.856 11.924 4.656 1.00 0.00 C ATOM 756 C LEU A 46 9.434 12.695 3.406 1.00 0.00 C ATOM 757 O LEU A 46 10.207 13.480 2.850 1.00 0.00 O ATOM 758 CB LEU A 46 9.181 12.564 5.929 1.00 0.00 C ATOM 759 CG LEU A 46 8.880 11.632 7.157 1.00 0.00 C ATOM 760 CD1 LEU A 46 8.344 10.263 6.720 1.00 0.00 C ATOM 761 CD2 LEU A 46 10.067 11.497 8.142 1.00 0.00 C ATOM 0 H LEU A 46 11.754 12.712 4.286 1.00 0.00 H new ATOM 0 HA LEU A 46 9.517 10.889 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.824 13.374 6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.240 13.016 5.615 1.00 0.00 H new ATOM 0 HG LEU A 46 8.090 12.134 7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.149 9.651 7.600 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.419 10.397 6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.082 9.768 6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.785 10.839 8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.927 11.078 7.620 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.326 12.480 8.537 1.00 0.00 H new ATOM 773 N HIS A 47 8.190 12.453 2.986 1.00 0.00 N ATOM 774 CA HIS A 47 7.545 13.173 1.878 1.00 0.00 C ATOM 775 C HIS A 47 6.964 14.515 2.373 1.00 0.00 C ATOM 776 O HIS A 47 6.739 15.433 1.576 1.00 0.00 O ATOM 777 CB HIS A 47 6.433 12.268 1.282 1.00 0.00 C ATOM 778 CG HIS A 47 5.679 12.857 0.107 1.00 0.00 C ATOM 779 ND1 HIS A 47 6.163 12.844 -1.184 1.00 0.00 N ATOM 780 CD2 HIS A 47 4.480 13.489 0.041 1.00 0.00 C ATOM 781 CE1 HIS A 47 5.300 13.446 -1.987 1.00 0.00 C ATOM 782 NE2 HIS A 47 4.269 13.845 -1.270 1.00 0.00 N ATOM 0 H HIS A 47 7.592 11.743 3.409 1.00 0.00 H new ATOM 0 HA HIS A 47 8.278 13.401 1.104 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.883 11.326 0.968 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.718 12.032 2.070 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.812 13.678 0.869 1.00 0.00 H new ATOM 0 HE1 HIS A 47 5.421 13.587 -3.051 1.00 0.00 H new ATOM 0 HE2 HIS A 47 3.450 14.336 -1.628 1.00 0.00 H new ATOM 791 N CYS A 48 6.740 14.628 3.696 1.00 0.00 N ATOM 792 CA CYS A 48 6.063 15.782 4.311 1.00 0.00 C ATOM 793 C CYS A 48 6.845 16.308 5.525 1.00 0.00 C ATOM 794 O CYS A 48 7.386 15.519 6.310 1.00 0.00 O ATOM 795 CB CYS A 48 4.645 15.365 4.736 1.00 0.00 C ATOM 796 SG CYS A 48 3.614 14.788 3.379 1.00 0.00 S ATOM 0 H CYS A 48 7.025 13.917 4.370 1.00 0.00 H new ATOM 0 HA CYS A 48 6.010 16.587 3.578 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.718 14.576 5.484 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.156 16.213 5.215 1.00 0.00 H new ATOM 0 HG CYS A 48 2.442 14.458 3.834 1.00 0.00 H new ATOM 802 N GLU A 49 6.860 17.648 5.683 1.00 0.00 N ATOM 803 CA GLU A 49 7.555 18.345 6.794 1.00 0.00 C ATOM 804 C GLU A 49 6.839 18.119 8.158 1.00 0.00 C ATOM 805 O GLU A 49 7.390 18.439 9.216 1.00 0.00 O ATOM 806 CB GLU A 49 7.683 19.867 6.481 1.00 0.00 C ATOM 807 CG GLU A 49 8.593 20.667 7.449 1.00 0.00 C ATOM 808 CD GLU A 49 8.634 22.180 7.160 1.00 0.00 C ATOM 809 OE1 GLU A 49 9.475 22.626 6.348 1.00 0.00 O ATOM 810 OE2 GLU A 49 7.820 22.938 7.738 1.00 0.00 O ATOM 0 H GLU A 49 6.388 18.284 5.041 1.00 0.00 H new ATOM 0 HA GLU A 49 8.554 17.918 6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.068 19.982 5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.687 20.309 6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.246 20.511 8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.606 20.269 7.392 1.00 0.00 H new ATOM 817 N GLU A 50 5.610 17.562 8.100 1.00 0.00 N ATOM 818 CA GLU A 50 4.751 17.284 9.283 1.00 0.00 C ATOM 819 C GLU A 50 5.517 16.495 10.357 1.00 0.00 C ATOM 820 O GLU A 50 5.550 16.872 11.528 1.00 0.00 O ATOM 821 CB GLU A 50 3.482 16.478 8.859 1.00 0.00 C ATOM 822 CG GLU A 50 2.813 16.943 7.549 1.00 0.00 C ATOM 823 CD GLU A 50 2.422 18.431 7.528 1.00 0.00 C ATOM 824 OE1 GLU A 50 1.321 18.781 8.004 1.00 0.00 O ATOM 825 OE2 GLU A 50 3.216 19.259 7.031 1.00 0.00 O ATOM 0 H GLU A 50 5.176 17.287 7.219 1.00 0.00 H new ATOM 0 HA GLU A 50 4.451 18.244 9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.757 15.428 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.749 16.537 9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.492 16.747 6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.919 16.343 7.379 1.00 0.00 H new ATOM 832 N PHE A 51 6.165 15.419 9.916 1.00 0.00 N ATOM 833 CA PHE A 51 6.920 14.514 10.797 1.00 0.00 C ATOM 834 C PHE A 51 8.156 15.218 11.394 1.00 0.00 C ATOM 835 O PHE A 51 8.497 15.011 12.559 1.00 0.00 O ATOM 836 CB PHE A 51 7.319 13.234 10.033 1.00 0.00 C ATOM 837 CG PHE A 51 6.130 12.399 9.546 1.00 0.00 C ATOM 838 CD1 PHE A 51 5.391 12.783 8.426 1.00 0.00 C ATOM 839 CD2 PHE A 51 5.745 11.238 10.215 1.00 0.00 C ATOM 840 CE1 PHE A 51 4.312 12.036 7.995 1.00 0.00 C ATOM 841 CE2 PHE A 51 4.666 10.495 9.785 1.00 0.00 C ATOM 842 CZ PHE A 51 3.947 10.893 8.676 1.00 0.00 C ATOM 0 H PHE A 51 6.185 15.144 8.934 1.00 0.00 H new ATOM 0 HA PHE A 51 6.276 14.229 11.629 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.930 13.512 9.174 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.942 12.617 10.680 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.667 13.678 7.888 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.300 10.916 11.083 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.754 12.347 7.124 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.383 9.599 10.317 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.101 10.311 8.342 1.00 0.00 H new ATOM 852 N ILE A 52 8.786 16.105 10.608 1.00 0.00 N ATOM 853 CA ILE A 52 9.925 16.924 11.080 1.00 0.00 C ATOM 854 C ILE A 52 9.427 17.835 12.221 1.00 0.00 C ATOM 855 O ILE A 52 10.085 17.971 13.259 1.00 0.00 O ATOM 856 CB ILE A 52 10.584 17.785 9.921 1.00 0.00 C ATOM 857 CG1 ILE A 52 11.243 16.881 8.823 1.00 0.00 C ATOM 858 CG2 ILE A 52 11.636 18.776 10.484 1.00 0.00 C ATOM 859 CD1 ILE A 52 10.295 16.052 7.971 1.00 0.00 C ATOM 0 H ILE A 52 8.527 16.277 9.636 1.00 0.00 H new ATOM 0 HA ILE A 52 10.707 16.254 11.438 1.00 0.00 H new ATOM 0 HB ILE A 52 9.777 18.352 9.457 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.828 17.519 8.161 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.943 16.204 9.313 1.00 0.00 H new ATOM 0 HG21 ILE A 52 12.069 19.351 9.665 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.156 19.454 11.189 1.00 0.00 H new ATOM 0 HG23 ILE A 52 12.423 18.220 10.993 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.869 15.470 7.249 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.726 15.377 8.611 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.610 16.713 7.441 1.00 0.00 H new ATOM 871 N ASP A 53 8.187 18.343 12.049 1.00 0.00 N ATOM 872 CA ASP A 53 7.533 19.235 13.019 1.00 0.00 C ATOM 873 C ASP A 53 7.232 18.475 14.318 1.00 0.00 C ATOM 874 O ASP A 53 7.481 19.006 15.414 1.00 0.00 O ATOM 875 CB ASP A 53 6.229 19.840 12.417 1.00 0.00 C ATOM 876 CG ASP A 53 5.445 20.752 13.393 1.00 0.00 C ATOM 877 OD1 ASP A 53 5.786 21.947 13.509 1.00 0.00 O ATOM 878 OD2 ASP A 53 4.485 20.282 14.046 1.00 0.00 O ATOM 0 H ASP A 53 7.614 18.143 11.230 1.00 0.00 H new ATOM 0 HA ASP A 53 8.211 20.057 13.249 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.485 20.414 11.527 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.579 19.026 12.095 1.00 0.00 H new ATOM 883 N GLU A 54 6.799 17.189 14.200 1.00 0.00 N ATOM 884 CA GLU A 54 6.450 16.393 15.390 1.00 0.00 C ATOM 885 C GLU A 54 7.742 16.120 16.173 1.00 0.00 C ATOM 886 O GLU A 54 7.728 16.130 17.402 1.00 0.00 O ATOM 887 CB GLU A 54 5.698 15.061 15.065 1.00 0.00 C ATOM 888 CG GLU A 54 6.590 13.876 14.643 1.00 0.00 C ATOM 889 CD GLU A 54 5.826 12.569 14.446 1.00 0.00 C ATOM 890 OE1 GLU A 54 5.427 11.966 15.456 1.00 0.00 O ATOM 891 OE2 GLU A 54 5.626 12.140 13.292 1.00 0.00 O ATOM 0 H GLU A 54 6.688 16.699 13.312 1.00 0.00 H new ATOM 0 HA GLU A 54 5.744 16.971 15.987 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.124 14.765 15.943 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.982 15.255 14.267 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.101 14.131 13.715 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.360 13.725 15.400 1.00 0.00 H new ATOM 898 N PHE A 55 8.874 15.982 15.428 1.00 0.00 N ATOM 899 CA PHE A 55 10.197 15.771 16.023 1.00 0.00 C ATOM 900 C PHE A 55 10.630 17.030 16.789 1.00 0.00 C ATOM 901 O PHE A 55 11.149 16.939 17.912 1.00 0.00 O ATOM 902 CB PHE A 55 11.251 15.380 14.952 1.00 0.00 C ATOM 903 CG PHE A 55 12.678 15.380 15.495 1.00 0.00 C ATOM 904 CD1 PHE A 55 13.042 14.528 16.536 1.00 0.00 C ATOM 905 CD2 PHE A 55 13.634 16.268 15.006 1.00 0.00 C ATOM 906 CE1 PHE A 55 14.311 14.568 17.069 1.00 0.00 C ATOM 907 CE2 PHE A 55 14.908 16.296 15.535 1.00 0.00 C ATOM 908 CZ PHE A 55 15.244 15.445 16.570 1.00 0.00 C ATOM 0 H PHE A 55 8.881 16.016 14.409 1.00 0.00 H new ATOM 0 HA PHE A 55 10.129 14.937 16.722 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.016 14.389 14.563 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.186 16.075 14.115 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.320 13.828 16.929 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.375 16.942 14.203 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.574 13.908 17.882 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.642 16.983 15.140 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.240 15.469 16.987 1.00 0.00 H new ATOM 918 N ASN A 56 10.331 18.198 16.195 1.00 0.00 N ATOM 919 CA ASN A 56 10.674 19.518 16.761 1.00 0.00 C ATOM 920 C ASN A 56 9.967 19.705 18.123 1.00 0.00 C ATOM 921 O ASN A 56 10.440 20.455 18.992 1.00 0.00 O ATOM 922 CB ASN A 56 10.282 20.636 15.753 1.00 0.00 C ATOM 923 CG ASN A 56 10.640 22.058 16.207 1.00 0.00 C ATOM 924 OD1 ASN A 56 11.734 22.551 15.937 1.00 0.00 O ATOM 925 ND2 ASN A 56 9.723 22.726 16.895 1.00 0.00 N ATOM 0 H ASN A 56 9.841 18.255 15.302 1.00 0.00 H new ATOM 0 HA ASN A 56 11.749 19.580 16.933 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.774 20.438 14.801 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.208 20.585 15.573 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.917 23.675 17.215 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.825 22.291 17.104 1.00 0.00 H new ATOM 932 N GLY A 57 8.841 18.979 18.300 1.00 0.00 N ATOM 933 CA GLY A 57 8.116 18.952 19.562 1.00 0.00 C ATOM 934 C GLY A 57 8.538 17.807 20.493 1.00 0.00 C ATOM 935 O GLY A 57 8.622 18.006 21.713 1.00 0.00 O ATOM 0 H GLY A 57 8.422 18.403 17.569 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.266 19.901 20.077 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.049 18.866 19.356 1.00 0.00 H new ATOM 939 N LEU A 58 8.846 16.607 19.934 1.00 0.00 N ATOM 940 CA LEU A 58 8.982 15.372 20.753 1.00 0.00 C ATOM 941 C LEU A 58 10.415 15.160 21.264 1.00 0.00 C ATOM 942 O LEU A 58 10.638 14.286 22.113 1.00 0.00 O ATOM 943 CB LEU A 58 8.407 14.094 20.022 1.00 0.00 C ATOM 944 CG LEU A 58 9.113 13.535 18.730 1.00 0.00 C ATOM 945 CD1 LEU A 58 10.422 12.758 19.013 1.00 0.00 C ATOM 946 CD2 LEU A 58 8.132 12.663 17.902 1.00 0.00 C ATOM 0 H LEU A 58 9.003 16.469 18.936 1.00 0.00 H new ATOM 0 HA LEU A 58 8.362 15.524 21.636 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.385 13.286 20.753 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.373 14.312 19.756 1.00 0.00 H new ATOM 0 HG LEU A 58 9.403 14.411 18.150 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.847 12.406 18.073 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.135 13.416 19.510 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.207 11.905 19.656 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.640 12.287 17.014 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.791 11.823 18.508 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.275 13.265 17.602 1.00 0.00 H new ATOM 958 N HIS A 59 11.378 15.965 20.771 1.00 0.00 N ATOM 959 CA HIS A 59 12.807 15.799 21.121 1.00 0.00 C ATOM 960 C HIS A 59 13.055 16.010 22.626 1.00 0.00 C ATOM 961 O HIS A 59 13.816 15.260 23.249 1.00 0.00 O ATOM 962 CB HIS A 59 13.703 16.745 20.276 1.00 0.00 C ATOM 963 CG HIS A 59 15.179 16.566 20.555 1.00 0.00 C ATOM 964 ND1 HIS A 59 15.878 15.431 20.196 1.00 0.00 N ATOM 965 CD2 HIS A 59 16.069 17.351 21.215 1.00 0.00 C ATOM 966 CE1 HIS A 59 17.119 15.526 20.622 1.00 0.00 C ATOM 967 NE2 HIS A 59 17.268 16.680 21.243 1.00 0.00 N ATOM 0 H HIS A 59 11.194 16.737 20.130 1.00 0.00 H new ATOM 0 HA HIS A 59 13.079 14.770 20.885 1.00 0.00 H new ATOM 0 HB2 HIS A 59 13.515 16.566 19.218 1.00 0.00 H new ATOM 0 HB3 HIS A 59 13.423 17.779 20.479 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.871 18.324 21.640 1.00 0.00 H new ATOM 0 HE1 HIS A 59 17.889 14.781 20.486 1.00 0.00 H new ATOM 0 HE2 HIS A 59 18.129 17.018 21.672 1.00 0.00 H new