USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 7 CYS SG : rot 133:sc= 0.808 USER MOD Set 1.2: A 24 CYS SG : rot -179:sc= 1.16 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.405 (180deg=-1.85) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.106 (180deg=-0.597) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -39:sc= -0.0353 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0338 USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= 0.2 (180deg=0.158) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -1.31 K(o=-1.3,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -51:sc= 0.316 USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc=-0.00644 X(o=-0.0064,f=-0.0025) USER MOD Single : A 65 THR OG1 : rot -129:sc= -0.0613 USER MOD Single : A 66 ASN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0673 USER MOD Single : A 69 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00854) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.398 -12.649 5.925 1.00 0.00 N ATOM 2 CA MET A 1 -8.051 -12.147 5.546 1.00 0.00 C ATOM 3 C MET A 1 -7.911 -10.660 5.852 1.00 0.00 C ATOM 4 O MET A 1 -8.758 -10.073 6.526 1.00 0.00 O ATOM 5 CB MET A 1 -7.838 -12.405 4.053 1.00 0.00 C ATOM 6 CG MET A 1 -8.906 -11.780 3.169 1.00 0.00 C ATOM 7 SD MET A 1 -9.936 -13.011 2.349 1.00 0.00 S ATOM 8 CE MET A 1 -11.387 -12.990 3.396 1.00 0.00 C ATOM 0 H1 MET A 1 -9.546 -13.592 5.512 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.467 -12.710 6.961 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.125 -11.997 5.568 1.00 0.00 H new ATOM 0 HA MET A 1 -7.295 -12.673 6.129 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.863 -12.015 3.761 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.817 -13.481 3.878 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.537 -11.128 3.774 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.428 -11.152 2.417 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.253 -13.325 2.825 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.233 -13.656 4.245 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.560 -11.976 3.757 1.00 0.00 H new ATOM 20 N TYR A 2 -6.837 -10.056 5.354 1.00 0.00 N ATOM 21 CA TYR A 2 -6.586 -8.636 5.576 1.00 0.00 C ATOM 22 C TYR A 2 -6.273 -7.926 4.263 1.00 0.00 C ATOM 23 O TYR A 2 -5.860 -8.553 3.287 1.00 0.00 O ATOM 24 CB TYR A 2 -5.429 -8.447 6.560 1.00 0.00 C ATOM 25 CG TYR A 2 -5.869 -8.279 7.998 1.00 0.00 C ATOM 26 CD1 TYR A 2 -6.578 -9.280 8.651 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.570 -7.121 8.704 1.00 0.00 C ATOM 28 CE1 TYR A 2 -6.980 -9.129 9.964 1.00 0.00 C ATOM 29 CE2 TYR A 2 -5.967 -6.962 10.018 1.00 0.00 C ATOM 30 CZ TYR A 2 -6.672 -7.969 10.643 1.00 0.00 C ATOM 31 OH TYR A 2 -7.069 -7.815 11.951 1.00 0.00 O ATOM 0 H TYR A 2 -6.127 -10.527 4.794 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.489 -8.196 6.000 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -4.763 -9.307 6.492 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.851 -7.572 6.262 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.819 -10.191 8.123 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.017 -6.331 8.217 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.533 -9.916 10.456 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -5.727 -6.055 10.552 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.771 -6.942 12.283 1.00 0.00 H new ATOM 41 N ILE A 3 -6.490 -6.617 4.245 1.00 0.00 N ATOM 42 CA ILE A 3 -6.248 -5.808 3.057 1.00 0.00 C ATOM 43 C ILE A 3 -5.380 -4.598 3.386 1.00 0.00 C ATOM 44 O ILE A 3 -5.266 -4.205 4.546 1.00 0.00 O ATOM 45 CB ILE A 3 -7.573 -5.309 2.450 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.415 -4.613 3.520 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.346 -6.461 1.828 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.369 -3.580 2.962 1.00 0.00 C ATOM 0 H ILE A 3 -6.836 -6.089 5.047 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.732 -6.443 2.337 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.345 -4.590 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.985 -5.364 4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.750 -4.132 4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.278 -6.087 1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.747 -6.917 1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.567 -7.206 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.933 -3.127 3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.804 -2.808 2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.058 -4.059 2.267 1.00 0.00 H new ATOM 60 N ILE A 4 -4.800 -3.990 2.357 1.00 0.00 N ATOM 61 CA ILE A 4 -3.974 -2.802 2.539 1.00 0.00 C ATOM 62 C ILE A 4 -4.445 -1.685 1.603 1.00 0.00 C ATOM 63 O ILE A 4 -4.994 -1.949 0.536 1.00 0.00 O ATOM 64 CB ILE A 4 -2.476 -3.125 2.310 1.00 0.00 C ATOM 65 CG1 ILE A 4 -1.881 -3.766 3.568 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.679 -1.882 1.940 1.00 0.00 C ATOM 67 CD1 ILE A 4 -1.963 -5.276 3.583 1.00 0.00 C ATOM 0 H ILE A 4 -4.886 -4.300 1.389 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.082 -2.460 3.568 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.413 -3.823 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.836 -3.468 3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.400 -3.375 4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.634 -2.152 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.080 -1.453 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.752 -1.150 2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.522 -5.655 4.505 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.007 -5.584 3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.419 -5.678 2.728 1.00 0.00 H new ATOM 79 N PHE A 5 -4.276 -0.440 2.030 1.00 0.00 N ATOM 80 CA PHE A 5 -4.722 0.703 1.238 1.00 0.00 C ATOM 81 C PHE A 5 -3.747 1.869 1.370 1.00 0.00 C ATOM 82 O PHE A 5 -2.609 1.686 1.801 1.00 0.00 O ATOM 83 CB PHE A 5 -6.121 1.146 1.673 1.00 0.00 C ATOM 84 CG PHE A 5 -6.527 0.679 3.041 1.00 0.00 C ATOM 85 CD1 PHE A 5 -7.056 -0.589 3.228 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.417 1.521 4.133 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.440 -1.015 4.483 1.00 0.00 C ATOM 88 CE2 PHE A 5 -6.809 1.103 5.388 1.00 0.00 C ATOM 89 CZ PHE A 5 -7.314 -0.167 5.565 1.00 0.00 C ATOM 0 H PHE A 5 -3.835 -0.195 2.917 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.757 0.393 0.194 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.168 2.235 1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.846 0.778 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.169 -1.251 2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.020 2.517 4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.838 -2.010 4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.720 1.771 6.232 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.611 -0.498 6.549 1.00 0.00 H new ATOM 99 N ARG A 6 -4.189 3.067 0.986 1.00 0.00 N ATOM 100 CA ARG A 6 -3.329 4.245 1.055 1.00 0.00 C ATOM 101 C ARG A 6 -4.108 5.483 1.487 1.00 0.00 C ATOM 102 O ARG A 6 -5.160 5.794 0.929 1.00 0.00 O ATOM 103 CB ARG A 6 -2.672 4.497 -0.304 1.00 0.00 C ATOM 104 CG ARG A 6 -1.571 3.502 -0.638 1.00 0.00 C ATOM 105 CD ARG A 6 -1.813 2.831 -1.980 1.00 0.00 C ATOM 106 NE ARG A 6 -2.168 3.793 -3.020 1.00 0.00 N ATOM 107 CZ ARG A 6 -1.418 4.034 -4.090 1.00 0.00 C ATOM 108 NH1 ARG A 6 -0.275 3.382 -4.265 1.00 0.00 N ATOM 109 NH2 ARG A 6 -1.811 4.925 -4.990 1.00 0.00 N ATOM 0 H ARG A 6 -5.127 3.245 0.628 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.560 4.050 1.803 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.435 4.457 -1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.257 5.505 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.609 4.015 -0.655 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.515 2.744 0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.917 2.288 -2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.612 2.096 -1.879 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.042 4.309 -2.919 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.030 2.694 -3.577 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.298 3.569 -5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.690 5.426 -4.861 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.234 5.109 -5.811 1.00 0.00 H new ATOM 123 N CYS A 7 -3.573 6.198 2.474 1.00 0.00 N ATOM 124 CA CYS A 7 -4.206 7.412 2.963 1.00 0.00 C ATOM 125 C CYS A 7 -3.982 8.554 1.983 1.00 0.00 C ATOM 126 O CYS A 7 -3.114 8.467 1.115 1.00 0.00 O ATOM 127 CB CYS A 7 -3.652 7.784 4.340 1.00 0.00 C ATOM 128 SG CYS A 7 -4.561 9.108 5.170 1.00 0.00 S ATOM 0 H CYS A 7 -2.703 5.955 2.948 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.277 7.232 3.054 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.662 6.898 4.975 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.610 8.086 4.231 1.00 0.00 H new ATOM 0 HG CYS A 7 -4.806 8.762 6.399 1.00 0.00 H new ATOM 134 N ASP A 8 -4.730 9.642 2.156 1.00 0.00 N ATOM 135 CA ASP A 8 -4.621 10.789 1.261 1.00 0.00 C ATOM 136 C ASP A 8 -3.228 11.399 1.338 1.00 0.00 C ATOM 137 O ASP A 8 -2.730 11.956 0.359 1.00 0.00 O ATOM 138 CB ASP A 8 -5.674 11.840 1.616 1.00 0.00 C ATOM 139 CG ASP A 8 -6.812 11.881 0.615 1.00 0.00 C ATOM 140 OD1 ASP A 8 -7.526 10.864 0.487 1.00 0.00 O ATOM 141 OD2 ASP A 8 -6.988 12.927 -0.042 1.00 0.00 O ATOM 0 H ASP A 8 -5.414 9.752 2.904 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.794 10.446 0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.074 11.629 2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.202 12.821 1.665 1.00 0.00 H new ATOM 146 N CYS A 9 -2.594 11.267 2.497 1.00 0.00 N ATOM 147 CA CYS A 9 -1.234 11.755 2.686 1.00 0.00 C ATOM 148 C CYS A 9 -0.240 10.846 1.966 1.00 0.00 C ATOM 149 O CYS A 9 0.974 11.030 2.064 1.00 0.00 O ATOM 150 CB CYS A 9 -0.899 11.817 4.175 1.00 0.00 C ATOM 151 SG CYS A 9 0.634 12.697 4.554 1.00 0.00 S ATOM 0 H CYS A 9 -3.001 10.825 3.321 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.163 12.758 2.265 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.722 12.301 4.701 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.827 10.801 4.562 1.00 0.00 H new ATOM 0 HG CYS A 9 1.534 12.405 3.662 1.00 0.00 H new ATOM 157 N GLY A 10 -0.771 9.853 1.257 1.00 0.00 N ATOM 158 CA GLY A 10 0.066 8.901 0.554 1.00 0.00 C ATOM 159 C GLY A 10 0.544 7.789 1.465 1.00 0.00 C ATOM 160 O GLY A 10 1.555 7.141 1.193 1.00 0.00 O ATOM 0 H GLY A 10 -1.773 9.692 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.492 8.473 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.927 9.418 0.130 1.00 0.00 H new ATOM 164 N ARG A 11 -0.156 7.612 2.582 1.00 0.00 N ATOM 165 CA ARG A 11 0.204 6.589 3.562 1.00 0.00 C ATOM 166 C ARG A 11 -0.299 5.210 3.148 1.00 0.00 C ATOM 167 O ARG A 11 -0.595 4.969 1.980 1.00 0.00 O ATOM 168 CB ARG A 11 -0.345 6.954 4.941 1.00 0.00 C ATOM 169 CG ARG A 11 -0.258 8.438 5.261 1.00 0.00 C ATOM 170 CD ARG A 11 0.551 8.690 6.522 1.00 0.00 C ATOM 171 NE ARG A 11 1.598 9.685 6.311 1.00 0.00 N ATOM 172 CZ ARG A 11 2.041 10.505 7.261 1.00 0.00 C ATOM 173 NH1 ARG A 11 1.530 10.445 8.484 1.00 0.00 N ATOM 174 NH2 ARG A 11 2.996 11.384 6.990 1.00 0.00 N ATOM 0 H ARG A 11 -0.977 8.164 2.832 1.00 0.00 H new ATOM 0 HA ARG A 11 1.292 6.549 3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.387 6.639 5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.203 6.395 5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.198 8.966 4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.262 8.844 5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.114 9.026 7.318 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.001 7.755 6.857 1.00 0.00 H new ATOM 0 HE ARG A 11 2.014 9.756 5.382 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.796 9.769 8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.871 11.074 9.211 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.393 11.433 6.052 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.334 12.011 7.720 1.00 0.00 H new ATOM 188 N ALA A 12 -0.359 4.300 4.120 1.00 0.00 N ATOM 189 CA ALA A 12 -0.831 2.940 3.881 1.00 0.00 C ATOM 190 C ALA A 12 -1.268 2.287 5.189 1.00 0.00 C ATOM 191 O ALA A 12 -0.570 2.385 6.198 1.00 0.00 O ATOM 192 CB ALA A 12 0.254 2.113 3.211 1.00 0.00 C ATOM 0 H ALA A 12 -0.084 4.484 5.085 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.693 2.986 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.113 1.101 3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.522 2.568 2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.133 2.076 3.855 1.00 0.00 H new ATOM 198 N LEU A 13 -2.424 1.628 5.174 1.00 0.00 N ATOM 199 CA LEU A 13 -2.949 0.985 6.374 1.00 0.00 C ATOM 200 C LEU A 13 -3.465 -0.422 6.073 1.00 0.00 C ATOM 201 O LEU A 13 -3.360 -0.903 4.945 1.00 0.00 O ATOM 202 CB LEU A 13 -4.070 1.836 6.971 1.00 0.00 C ATOM 203 CG LEU A 13 -3.614 3.037 7.805 1.00 0.00 C ATOM 204 CD1 LEU A 13 -2.622 2.604 8.875 1.00 0.00 C ATOM 205 CD2 LEU A 13 -3.020 4.122 6.920 1.00 0.00 C ATOM 0 H LEU A 13 -3.013 1.526 4.347 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.135 0.897 7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.699 2.198 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.693 1.197 7.597 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.489 3.455 8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.311 3.472 9.456 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.094 1.876 9.535 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.750 2.153 8.402 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.704 4.963 7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.159 3.723 6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.770 4.459 6.204 1.00 0.00 H new ATOM 217 N TYR A 14 -4.015 -1.079 7.095 1.00 0.00 N ATOM 218 CA TYR A 14 -4.529 -2.442 6.952 1.00 0.00 C ATOM 219 C TYR A 14 -5.875 -2.608 7.660 1.00 0.00 C ATOM 220 O TYR A 14 -6.090 -2.060 8.741 1.00 0.00 O ATOM 221 CB TYR A 14 -3.521 -3.445 7.521 1.00 0.00 C ATOM 222 CG TYR A 14 -3.127 -3.166 8.955 1.00 0.00 C ATOM 223 CD1 TYR A 14 -2.078 -2.304 9.253 1.00 0.00 C ATOM 224 CD2 TYR A 14 -3.800 -3.769 10.011 1.00 0.00 C ATOM 225 CE1 TYR A 14 -1.715 -2.048 10.561 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.442 -3.518 11.321 1.00 0.00 C ATOM 227 CZ TYR A 14 -2.399 -2.658 11.591 1.00 0.00 C ATOM 228 OH TYR A 14 -2.039 -2.406 12.895 1.00 0.00 O ATOM 0 H TYR A 14 -4.116 -0.689 8.032 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.677 -2.633 5.889 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.945 -4.447 7.459 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.625 -3.438 6.900 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.538 -1.827 8.449 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.616 -4.445 9.804 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.899 -1.373 10.776 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.977 -3.993 12.130 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.621 -2.913 13.499 1.00 0.00 H new ATOM 238 N SER A 15 -6.775 -3.374 7.043 1.00 0.00 N ATOM 239 CA SER A 15 -8.094 -3.635 7.620 1.00 0.00 C ATOM 240 C SER A 15 -8.674 -4.934 7.071 1.00 0.00 C ATOM 241 O SER A 15 -7.986 -5.687 6.387 1.00 0.00 O ATOM 242 CB SER A 15 -9.047 -2.474 7.326 1.00 0.00 C ATOM 243 OG SER A 15 -10.238 -2.585 8.087 1.00 0.00 O ATOM 0 H SER A 15 -6.614 -3.825 6.142 1.00 0.00 H new ATOM 0 HA SER A 15 -7.978 -3.732 8.699 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.554 -1.529 7.553 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.291 -2.460 6.264 1.00 0.00 H new ATOM 0 HG SER A 15 -10.829 -1.830 7.882 1.00 0.00 H new ATOM 249 N ARG A 16 -9.940 -5.197 7.381 1.00 0.00 N ATOM 250 CA ARG A 16 -10.605 -6.403 6.900 1.00 0.00 C ATOM 251 C ARG A 16 -10.980 -6.269 5.426 1.00 0.00 C ATOM 252 O ARG A 16 -11.300 -5.178 4.954 1.00 0.00 O ATOM 253 CB ARG A 16 -11.856 -6.695 7.729 1.00 0.00 C ATOM 254 CG ARG A 16 -12.959 -5.664 7.554 1.00 0.00 C ATOM 255 CD ARG A 16 -12.932 -4.625 8.662 1.00 0.00 C ATOM 256 NE ARG A 16 -14.274 -4.205 9.052 1.00 0.00 N ATOM 257 CZ ARG A 16 -14.788 -3.013 8.762 1.00 0.00 C ATOM 258 NH1 ARG A 16 -14.072 -2.126 8.084 1.00 0.00 N ATOM 259 NH2 ARG A 16 -16.017 -2.706 9.152 1.00 0.00 N ATOM 0 H ARG A 16 -10.524 -4.594 7.961 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.907 -7.233 7.007 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.242 -7.677 7.455 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.580 -6.744 8.782 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.847 -5.171 6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -13.928 -6.164 7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.414 -5.034 9.529 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.363 -3.757 8.331 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.851 -4.863 9.577 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.125 -2.357 7.784 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.468 -1.213 7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.570 -3.384 9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.409 -1.791 8.929 1.00 0.00 H new ATOM 273 N GLU A 17 -10.934 -7.386 4.706 1.00 0.00 N ATOM 274 CA GLU A 17 -11.276 -7.403 3.289 1.00 0.00 C ATOM 275 C GLU A 17 -12.681 -6.857 3.053 1.00 0.00 C ATOM 276 O GLU A 17 -13.673 -7.517 3.365 1.00 0.00 O ATOM 277 CB GLU A 17 -11.171 -8.826 2.735 1.00 0.00 C ATOM 278 CG GLU A 17 -10.900 -8.880 1.240 1.00 0.00 C ATOM 279 CD GLU A 17 -11.818 -9.843 0.514 1.00 0.00 C ATOM 280 OE1 GLU A 17 -12.021 -10.967 1.020 1.00 0.00 O ATOM 281 OE2 GLU A 17 -12.334 -9.475 -0.562 1.00 0.00 O ATOM 0 H GLU A 17 -10.662 -8.294 5.083 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.567 -6.760 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.374 -9.353 3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.098 -9.359 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.019 -7.882 0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.864 -9.176 1.073 1.00 0.00 H new ATOM 288 N GLY A 18 -12.761 -5.653 2.492 1.00 0.00 N ATOM 289 CA GLY A 18 -14.052 -5.049 2.215 1.00 0.00 C ATOM 290 C GLY A 18 -14.059 -3.549 2.437 1.00 0.00 C ATOM 291 O GLY A 18 -15.030 -2.871 2.099 1.00 0.00 O ATOM 0 H GLY A 18 -11.956 -5.086 2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.333 -5.260 1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -14.807 -5.509 2.852 1.00 0.00 H new ATOM 295 N ALA A 19 -12.979 -3.029 3.012 1.00 0.00 N ATOM 296 CA ALA A 19 -12.870 -1.600 3.283 1.00 0.00 C ATOM 297 C ALA A 19 -12.635 -0.809 1.999 1.00 0.00 C ATOM 298 O ALA A 19 -11.616 -0.983 1.331 1.00 0.00 O ATOM 299 CB ALA A 19 -11.752 -1.335 4.280 1.00 0.00 C ATOM 0 H ALA A 19 -12.167 -3.576 3.299 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.814 -1.267 3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.682 -0.264 4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.964 -1.858 5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.807 -1.692 3.870 1.00 0.00 H new ATOM 305 N LYS A 20 -13.591 0.052 1.655 1.00 0.00 N ATOM 306 CA LYS A 20 -13.481 0.881 0.459 1.00 0.00 C ATOM 307 C LYS A 20 -12.812 2.214 0.784 1.00 0.00 C ATOM 308 O LYS A 20 -11.967 2.698 0.031 1.00 0.00 O ATOM 309 CB LYS A 20 -14.863 1.128 -0.148 1.00 0.00 C ATOM 310 CG LYS A 20 -15.668 -0.142 -0.367 1.00 0.00 C ATOM 311 CD LYS A 20 -16.760 -0.295 0.678 1.00 0.00 C ATOM 312 CE LYS A 20 -17.561 -1.569 0.463 1.00 0.00 C ATOM 313 NZ LYS A 20 -17.992 -2.178 1.751 1.00 0.00 N ATOM 0 H LYS A 20 -14.449 0.193 2.188 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.865 0.349 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.424 1.795 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.745 1.642 -1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.114 -0.125 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.004 -1.006 -0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.314 -0.308 1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.427 0.566 0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.438 -1.348 -0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.959 -2.287 -0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.685 -2.931 1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.166 -2.581 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.427 -1.449 2.352 1.00 0.00 H new ATOM 327 N THR A 21 -13.223 2.818 1.892 1.00 0.00 N ATOM 328 CA THR A 21 -12.662 4.093 2.323 1.00 0.00 C ATOM 329 C THR A 21 -12.679 4.200 3.844 1.00 0.00 C ATOM 330 O THR A 21 -13.747 4.300 4.449 1.00 0.00 O ATOM 331 CB THR A 21 -13.450 5.252 1.710 1.00 0.00 C ATOM 332 OG1 THR A 21 -14.691 4.796 1.200 1.00 0.00 O ATOM 333 CG2 THR A 21 -12.718 5.946 0.583 1.00 0.00 C ATOM 0 H THR A 21 -13.944 2.445 2.510 1.00 0.00 H new ATOM 0 HA THR A 21 -11.628 4.146 1.981 1.00 0.00 H new ATOM 0 HB THR A 21 -13.592 5.966 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.183 5.550 0.813 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.334 6.757 0.194 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.777 6.351 0.955 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.515 5.231 -0.214 1.00 0.00 H new ATOM 341 N ARG A 22 -11.502 4.150 4.464 1.00 0.00 N ATOM 342 CA ARG A 22 -11.417 4.255 5.914 1.00 0.00 C ATOM 343 C ARG A 22 -11.205 5.711 6.326 1.00 0.00 C ATOM 344 O ARG A 22 -11.581 6.628 5.594 1.00 0.00 O ATOM 345 CB ARG A 22 -10.294 3.367 6.454 1.00 0.00 C ATOM 346 CG ARG A 22 -10.773 2.300 7.424 1.00 0.00 C ATOM 347 CD ARG A 22 -10.792 2.816 8.854 1.00 0.00 C ATOM 348 NE ARG A 22 -12.009 3.567 9.148 1.00 0.00 N ATOM 349 CZ ARG A 22 -13.044 3.062 9.814 1.00 0.00 C ATOM 350 NH1 ARG A 22 -13.009 1.811 10.253 1.00 0.00 N ATOM 351 NH2 ARG A 22 -14.115 3.810 10.042 1.00 0.00 N ATOM 0 H ARG A 22 -10.606 4.039 3.990 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.356 3.908 6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.790 2.885 5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.555 3.994 6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.773 1.972 7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.121 1.429 7.359 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.709 1.976 9.544 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.923 3.453 9.021 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.069 4.533 8.825 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.187 1.233 10.080 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.804 1.427 10.763 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.145 4.773 9.707 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.908 3.422 10.553 1.00 0.00 H new ATOM 365 N LYS A 23 -10.599 5.926 7.489 1.00 0.00 N ATOM 366 CA LYS A 23 -10.357 7.277 7.978 1.00 0.00 C ATOM 367 C LYS A 23 -9.100 7.331 8.835 1.00 0.00 C ATOM 368 O LYS A 23 -8.777 6.378 9.547 1.00 0.00 O ATOM 369 CB LYS A 23 -11.563 7.767 8.785 1.00 0.00 C ATOM 370 CG LYS A 23 -11.387 9.162 9.364 1.00 0.00 C ATOM 371 CD LYS A 23 -12.650 9.639 10.063 1.00 0.00 C ATOM 372 CE LYS A 23 -13.045 11.035 9.610 1.00 0.00 C ATOM 373 NZ LYS A 23 -12.591 12.080 10.571 1.00 0.00 N ATOM 0 H LYS A 23 -10.268 5.185 8.107 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.211 7.930 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.445 7.758 8.145 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.753 7.067 9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.557 9.162 10.071 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.126 9.858 8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.465 8.945 9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.493 9.636 11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.615 11.233 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.128 11.088 9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.880 13.018 10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.021 11.906 11.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.555 12.046 10.656 1.00 0.00 H new ATOM 387 N CYS A 24 -8.394 8.453 8.761 1.00 0.00 N ATOM 388 CA CYS A 24 -7.180 8.646 9.538 1.00 0.00 C ATOM 389 C CYS A 24 -7.479 9.447 10.797 1.00 0.00 C ATOM 390 O CYS A 24 -8.083 10.519 10.736 1.00 0.00 O ATOM 391 CB CYS A 24 -6.117 9.361 8.703 1.00 0.00 C ATOM 392 SG CYS A 24 -4.605 8.398 8.454 1.00 0.00 S ATOM 0 H CYS A 24 -8.644 9.244 8.168 1.00 0.00 H new ATOM 0 HA CYS A 24 -6.798 7.667 9.826 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.541 9.610 7.730 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.860 10.302 9.189 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.759 9.092 7.753 1.00 0.00 H new ATOM 398 N VAL A 25 -7.069 8.911 11.938 1.00 0.00 N ATOM 399 CA VAL A 25 -7.302 9.563 13.219 1.00 0.00 C ATOM 400 C VAL A 25 -6.482 10.843 13.333 1.00 0.00 C ATOM 401 O VAL A 25 -6.759 11.698 14.174 1.00 0.00 O ATOM 402 CB VAL A 25 -6.958 8.627 14.391 1.00 0.00 C ATOM 403 CG1 VAL A 25 -7.730 9.026 15.640 1.00 0.00 C ATOM 404 CG2 VAL A 25 -7.245 7.182 14.011 1.00 0.00 C ATOM 0 H VAL A 25 -6.571 8.023 12.003 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.362 9.812 13.269 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.894 8.719 14.611 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.473 8.352 16.457 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.471 10.048 15.917 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.800 8.964 15.442 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.998 6.530 14.848 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.302 7.073 13.766 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.642 6.907 13.146 1.00 0.00 H new ATOM 414 N CYS A 26 -5.484 10.972 12.467 1.00 0.00 N ATOM 415 CA CYS A 26 -4.635 12.157 12.448 1.00 0.00 C ATOM 416 C CYS A 26 -5.415 13.371 11.952 1.00 0.00 C ATOM 417 O CYS A 26 -5.037 14.514 12.214 1.00 0.00 O ATOM 418 CB CYS A 26 -3.412 11.922 11.558 1.00 0.00 C ATOM 419 SG CYS A 26 -1.888 12.661 12.188 1.00 0.00 S ATOM 0 H CYS A 26 -5.243 10.270 11.768 1.00 0.00 H new ATOM 0 HA CYS A 26 -4.299 12.352 13.467 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.262 10.849 11.442 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.615 12.325 10.566 1.00 0.00 H new ATOM 0 HG CYS A 26 -0.911 12.406 11.369 1.00 0.00 H new ATOM 425 N GLY A 27 -6.505 13.112 11.234 1.00 0.00 N ATOM 426 CA GLY A 27 -7.327 14.190 10.710 1.00 0.00 C ATOM 427 C GLY A 27 -7.441 14.151 9.197 1.00 0.00 C ATOM 428 O GLY A 27 -7.095 15.119 8.519 1.00 0.00 O ATOM 0 H GLY A 27 -6.834 12.174 11.006 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.323 14.129 11.148 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.903 15.147 11.015 1.00 0.00 H new ATOM 432 N ARG A 28 -7.931 13.030 8.666 1.00 0.00 N ATOM 433 CA ARG A 28 -8.087 12.864 7.222 1.00 0.00 C ATOM 434 C ARG A 28 -8.872 11.596 6.894 1.00 0.00 C ATOM 435 O ARG A 28 -9.488 10.990 7.770 1.00 0.00 O ATOM 436 CB ARG A 28 -6.721 12.805 6.520 1.00 0.00 C ATOM 437 CG ARG A 28 -5.548 12.519 7.446 1.00 0.00 C ATOM 438 CD ARG A 28 -4.220 12.619 6.713 1.00 0.00 C ATOM 439 NE ARG A 28 -4.099 13.866 5.962 1.00 0.00 N ATOM 440 CZ ARG A 28 -3.269 14.850 6.296 1.00 0.00 C ATOM 441 NH1 ARG A 28 -2.490 14.732 7.363 1.00 0.00 N ATOM 442 NH2 ARG A 28 -3.217 15.953 5.562 1.00 0.00 N ATOM 0 H ARG A 28 -8.227 12.223 9.216 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.639 13.731 6.859 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.756 12.035 5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.545 13.754 6.014 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.560 13.224 8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.655 11.522 7.872 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.404 12.549 7.432 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.118 11.775 6.031 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.684 13.989 5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.526 13.885 7.930 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.854 15.488 7.617 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.814 16.047 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.580 16.707 5.819 1.00 0.00 H new ATOM 456 N THR A 29 -8.837 11.203 5.623 1.00 0.00 N ATOM 457 CA THR A 29 -9.534 10.007 5.162 1.00 0.00 C ATOM 458 C THR A 29 -8.639 9.204 4.223 1.00 0.00 C ATOM 459 O THR A 29 -7.971 9.767 3.356 1.00 0.00 O ATOM 460 CB THR A 29 -10.833 10.394 4.451 1.00 0.00 C ATOM 461 OG1 THR A 29 -11.696 11.091 5.332 1.00 0.00 O ATOM 462 CG2 THR A 29 -11.596 9.208 3.902 1.00 0.00 C ATOM 0 H THR A 29 -8.330 11.700 4.891 1.00 0.00 H new ATOM 0 HA THR A 29 -9.778 9.389 6.026 1.00 0.00 H new ATOM 0 HB THR A 29 -10.527 11.023 3.615 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.520 11.332 4.860 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.505 9.556 3.412 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.974 8.678 3.180 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.859 8.535 4.718 1.00 0.00 H new ATOM 470 N VAL A 30 -8.607 7.890 4.422 1.00 0.00 N ATOM 471 CA VAL A 30 -7.765 7.016 3.610 1.00 0.00 C ATOM 472 C VAL A 30 -8.569 6.310 2.523 1.00 0.00 C ATOM 473 O VAL A 30 -9.513 5.573 2.808 1.00 0.00 O ATOM 474 CB VAL A 30 -7.054 5.964 4.478 1.00 0.00 C ATOM 475 CG1 VAL A 30 -8.022 5.355 5.467 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.413 4.887 3.617 1.00 0.00 C ATOM 0 H VAL A 30 -9.152 7.407 5.136 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.019 7.654 3.136 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.260 6.462 5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.503 4.613 6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.422 6.136 6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.840 4.876 4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.918 4.157 4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.181 4.389 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.680 5.342 2.951 1.00 0.00 H new ATOM 486 N ASN A 31 -8.179 6.543 1.277 1.00 0.00 N ATOM 487 CA ASN A 31 -8.829 5.907 0.137 1.00 0.00 C ATOM 488 C ASN A 31 -8.068 4.656 -0.291 1.00 0.00 C ATOM 489 O ASN A 31 -6.883 4.721 -0.625 1.00 0.00 O ATOM 490 CB ASN A 31 -8.925 6.886 -1.036 1.00 0.00 C ATOM 491 CG ASN A 31 -10.211 6.722 -1.823 1.00 0.00 C ATOM 492 OD1 ASN A 31 -10.823 7.703 -2.245 1.00 0.00 O ATOM 493 ND2 ASN A 31 -10.628 5.477 -2.025 1.00 0.00 N ATOM 0 H ASN A 31 -7.413 7.170 1.029 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.835 5.615 0.439 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.860 7.907 -0.660 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.074 6.737 -1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.487 5.305 -2.548 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.089 4.693 -1.657 1.00 0.00 H new ATOM 500 N VAL A 32 -8.739 3.512 -0.253 1.00 0.00 N ATOM 501 CA VAL A 32 -8.116 2.258 -0.658 1.00 0.00 C ATOM 502 C VAL A 32 -7.774 2.279 -2.147 1.00 0.00 C ATOM 503 O VAL A 32 -7.795 3.334 -2.780 1.00 0.00 O ATOM 504 CB VAL A 32 -9.003 1.039 -0.320 1.00 0.00 C ATOM 505 CG1 VAL A 32 -9.589 1.184 1.078 1.00 0.00 C ATOM 506 CG2 VAL A 32 -10.104 0.844 -1.351 1.00 0.00 C ATOM 0 H VAL A 32 -9.709 3.426 0.052 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.191 2.157 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.374 0.149 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.212 0.318 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.781 1.249 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.195 2.089 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.707 -0.022 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.736 1.731 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.659 0.683 -2.333 1.00 0.00 H new ATOM 516 N LYS A 33 -7.448 1.114 -2.698 1.00 0.00 N ATOM 517 CA LYS A 33 -7.099 1.012 -4.111 1.00 0.00 C ATOM 518 C LYS A 33 -8.227 1.540 -4.993 1.00 0.00 C ATOM 519 O LYS A 33 -9.263 1.985 -4.497 1.00 0.00 O ATOM 520 CB LYS A 33 -6.787 -0.441 -4.475 1.00 0.00 C ATOM 521 CG LYS A 33 -5.465 -0.614 -5.204 1.00 0.00 C ATOM 522 CD LYS A 33 -5.383 -1.964 -5.897 1.00 0.00 C ATOM 523 CE LYS A 33 -6.045 -1.931 -7.264 1.00 0.00 C ATOM 524 NZ LYS A 33 -5.289 -2.730 -8.268 1.00 0.00 N ATOM 0 H LYS A 33 -7.418 0.230 -2.190 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.213 1.623 -4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.771 -1.040 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.591 -0.831 -5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.347 0.181 -5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.642 -0.517 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.338 -2.256 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.863 -2.722 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.061 -2.317 -7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.122 -0.899 -7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.774 -2.681 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.327 -2.347 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.238 -3.721 -7.956 1.00 0.00 H new ATOM 538 N ASP A 34 -8.030 1.467 -6.304 1.00 0.00 N ATOM 539 CA ASP A 34 -9.032 1.939 -7.251 1.00 0.00 C ATOM 540 C ASP A 34 -10.002 0.818 -7.593 1.00 0.00 C ATOM 541 O ASP A 34 -11.219 1.004 -7.564 1.00 0.00 O ATOM 542 CB ASP A 34 -8.358 2.456 -8.525 1.00 0.00 C ATOM 543 CG ASP A 34 -7.725 3.819 -8.330 1.00 0.00 C ATOM 544 OD1 ASP A 34 -6.996 3.999 -7.333 1.00 0.00 O ATOM 545 OD2 ASP A 34 -7.958 4.708 -9.177 1.00 0.00 O ATOM 0 H ASP A 34 -7.187 1.086 -6.735 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.586 2.757 -6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.595 1.746 -8.843 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.095 2.512 -9.326 1.00 0.00 H new ATOM 550 N ARG A 35 -9.454 -0.351 -7.899 1.00 0.00 N ATOM 551 CA ARG A 35 -10.269 -1.519 -8.204 1.00 0.00 C ATOM 552 C ARG A 35 -10.651 -2.242 -6.914 1.00 0.00 C ATOM 553 O ARG A 35 -11.493 -1.763 -6.153 1.00 0.00 O ATOM 554 CB ARG A 35 -9.521 -2.459 -9.152 1.00 0.00 C ATOM 555 CG ARG A 35 -10.409 -3.516 -9.789 1.00 0.00 C ATOM 556 CD ARG A 35 -9.586 -4.588 -10.486 1.00 0.00 C ATOM 557 NE ARG A 35 -9.888 -4.669 -11.913 1.00 0.00 N ATOM 558 CZ ARG A 35 -9.782 -5.785 -12.627 1.00 0.00 C ATOM 559 NH1 ARG A 35 -9.385 -6.912 -12.050 1.00 0.00 N ATOM 560 NH2 ARG A 35 -10.075 -5.776 -13.921 1.00 0.00 N ATOM 0 H ARG A 35 -8.448 -0.515 -7.942 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.182 -1.192 -8.701 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.051 -1.869 -9.939 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.720 -2.953 -8.603 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.035 -3.976 -9.024 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.079 -3.045 -10.508 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.525 -4.375 -10.351 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.779 -5.554 -10.019 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.198 -3.821 -12.388 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.160 -6.924 -11.055 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.305 -7.766 -12.601 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.382 -4.912 -14.368 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.993 -6.633 -14.468 1.00 0.00 H new ATOM 574 N ARG A 36 -10.024 -3.389 -6.664 1.00 0.00 N ATOM 575 CA ARG A 36 -10.288 -4.154 -5.451 1.00 0.00 C ATOM 576 C ARG A 36 -9.596 -3.522 -4.244 1.00 0.00 C ATOM 577 O ARG A 36 -10.156 -2.650 -3.581 1.00 0.00 O ATOM 578 CB ARG A 36 -9.830 -5.604 -5.627 1.00 0.00 C ATOM 579 CG ARG A 36 -10.225 -6.211 -6.964 1.00 0.00 C ATOM 580 CD ARG A 36 -10.966 -7.526 -6.781 1.00 0.00 C ATOM 581 NE ARG A 36 -12.363 -7.429 -7.195 1.00 0.00 N ATOM 582 CZ ARG A 36 -13.390 -7.510 -6.354 1.00 0.00 C ATOM 583 NH1 ARG A 36 -13.178 -7.691 -5.057 1.00 0.00 N ATOM 584 NH2 ARG A 36 -14.631 -7.410 -6.810 1.00 0.00 N ATOM 0 H ARG A 36 -9.331 -3.807 -7.285 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.363 -4.144 -5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.746 -5.648 -5.524 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.252 -6.209 -4.824 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.855 -5.510 -7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.333 -6.376 -7.568 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.470 -8.305 -7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.918 -7.827 -5.734 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.562 -7.291 -8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.225 -7.768 -4.702 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.968 -7.753 -4.415 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.799 -7.271 -7.806 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.418 -7.472 -6.164 1.00 0.00 H new ATOM 598 N ILE A 37 -8.379 -3.978 -3.961 1.00 0.00 N ATOM 599 CA ILE A 37 -7.608 -3.474 -2.829 1.00 0.00 C ATOM 600 C ILE A 37 -6.112 -3.682 -3.059 1.00 0.00 C ATOM 601 O ILE A 37 -5.706 -4.594 -3.781 1.00 0.00 O ATOM 602 CB ILE A 37 -8.043 -4.170 -1.516 1.00 0.00 C ATOM 603 CG1 ILE A 37 -8.876 -3.208 -0.659 1.00 0.00 C ATOM 604 CG2 ILE A 37 -6.843 -4.697 -0.733 1.00 0.00 C ATOM 605 CD1 ILE A 37 -8.055 -2.182 0.095 1.00 0.00 C ATOM 0 H ILE A 37 -7.904 -4.699 -4.503 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.803 -2.405 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.659 -5.030 -1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.586 -2.688 -1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.459 -3.788 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.188 -5.179 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.301 -5.421 -1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.182 -3.868 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.718 -1.541 0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.363 -2.691 0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.492 -1.574 -0.614 1.00 0.00 H new ATOM 617 N PHE A 38 -5.299 -2.843 -2.426 1.00 0.00 N ATOM 618 CA PHE A 38 -3.853 -2.963 -2.531 1.00 0.00 C ATOM 619 C PHE A 38 -3.314 -3.828 -1.397 1.00 0.00 C ATOM 620 O PHE A 38 -3.922 -3.915 -0.335 1.00 0.00 O ATOM 621 CB PHE A 38 -3.200 -1.581 -2.494 1.00 0.00 C ATOM 622 CG PHE A 38 -1.957 -1.481 -3.331 1.00 0.00 C ATOM 623 CD1 PHE A 38 -0.739 -1.923 -2.841 1.00 0.00 C ATOM 624 CD2 PHE A 38 -2.006 -0.947 -4.609 1.00 0.00 C ATOM 625 CE1 PHE A 38 0.407 -1.835 -3.608 1.00 0.00 C ATOM 626 CE2 PHE A 38 -0.864 -0.855 -5.381 1.00 0.00 C ATOM 627 CZ PHE A 38 0.344 -1.299 -4.880 1.00 0.00 C ATOM 0 H PHE A 38 -5.618 -2.074 -1.836 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.611 -3.437 -3.482 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.920 -0.839 -2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.954 -1.332 -1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.684 -2.342 -1.847 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.948 -0.599 -5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.350 -2.184 -3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.916 -0.436 -6.375 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.238 -1.227 -5.482 1.00 0.00 H new ATOM 637 N GLY A 39 -2.186 -4.485 -1.639 1.00 0.00 N ATOM 638 CA GLY A 39 -1.591 -5.343 -0.629 1.00 0.00 C ATOM 639 C GLY A 39 -2.601 -6.275 0.016 1.00 0.00 C ATOM 640 O GLY A 39 -3.232 -5.923 1.012 1.00 0.00 O ATOM 0 H GLY A 39 -1.671 -4.439 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.795 -5.934 -1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.129 -4.725 0.141 1.00 0.00 H new ATOM 644 N ARG A 40 -2.769 -7.459 -0.560 1.00 0.00 N ATOM 645 CA ARG A 40 -3.701 -8.438 -0.020 1.00 0.00 C ATOM 646 C ARG A 40 -2.987 -9.371 0.946 1.00 0.00 C ATOM 647 O ARG A 40 -2.439 -10.398 0.547 1.00 0.00 O ATOM 648 CB ARG A 40 -4.350 -9.244 -1.146 1.00 0.00 C ATOM 649 CG ARG A 40 -5.801 -9.607 -0.875 1.00 0.00 C ATOM 650 CD ARG A 40 -5.912 -10.811 0.047 1.00 0.00 C ATOM 651 NE ARG A 40 -7.170 -11.529 -0.138 1.00 0.00 N ATOM 652 CZ ARG A 40 -7.406 -12.357 -1.151 1.00 0.00 C ATOM 653 NH1 ARG A 40 -6.473 -12.569 -2.070 1.00 0.00 N ATOM 654 NH2 ARG A 40 -8.576 -12.973 -1.248 1.00 0.00 N ATOM 0 H ARG A 40 -2.273 -7.763 -1.398 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.483 -7.904 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.294 -8.670 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.778 -10.159 -1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.312 -8.755 -0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.306 -9.821 -1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.078 -11.488 -0.139 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.831 -10.483 1.083 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.910 -11.387 0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.572 -12.096 -2.000 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.657 -13.205 -2.846 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.297 -12.812 -0.545 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.755 -13.608 -2.026 1.00 0.00 H new ATOM 668 N ALA A 41 -2.977 -8.990 2.215 1.00 0.00 N ATOM 669 CA ALA A 41 -2.307 -9.770 3.242 1.00 0.00 C ATOM 670 C ALA A 41 -3.271 -10.733 3.921 1.00 0.00 C ATOM 671 O ALA A 41 -4.214 -10.314 4.587 1.00 0.00 O ATOM 672 CB ALA A 41 -1.674 -8.843 4.266 1.00 0.00 C ATOM 0 H ALA A 41 -3.428 -8.142 2.558 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.526 -10.363 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.174 -9.435 5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.946 -8.199 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.447 -8.230 4.728 1.00 0.00 H new ATOM 678 N ASP A 42 -3.020 -12.027 3.758 1.00 0.00 N ATOM 679 CA ASP A 42 -3.861 -13.047 4.369 1.00 0.00 C ATOM 680 C ASP A 42 -3.472 -13.259 5.827 1.00 0.00 C ATOM 681 O ASP A 42 -4.320 -13.544 6.673 1.00 0.00 O ATOM 682 CB ASP A 42 -3.744 -14.364 3.598 1.00 0.00 C ATOM 683 CG ASP A 42 -5.069 -14.818 3.019 1.00 0.00 C ATOM 684 OD1 ASP A 42 -5.548 -14.177 2.060 1.00 0.00 O ATOM 685 OD2 ASP A 42 -5.627 -15.814 3.524 1.00 0.00 O ATOM 0 H ASP A 42 -2.242 -12.393 3.209 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.896 -12.706 4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.020 -14.246 2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.358 -15.137 4.262 1.00 0.00 H new ATOM 690 N ASP A 43 -2.178 -13.136 6.107 1.00 0.00 N ATOM 691 CA ASP A 43 -1.670 -13.296 7.465 1.00 0.00 C ATOM 692 C ASP A 43 -1.739 -11.978 8.227 1.00 0.00 C ATOM 693 O ASP A 43 -1.341 -10.934 7.709 1.00 0.00 O ATOM 694 CB ASP A 43 -0.229 -13.807 7.436 1.00 0.00 C ATOM 695 CG ASP A 43 -0.101 -15.141 6.728 1.00 0.00 C ATOM 696 OD1 ASP A 43 -0.705 -16.125 7.203 1.00 0.00 O ATOM 697 OD2 ASP A 43 0.603 -15.201 5.698 1.00 0.00 O ATOM 0 H ASP A 43 -1.462 -12.926 5.411 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.296 -14.026 7.978 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.404 -13.073 6.938 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.139 -13.904 8.457 1.00 0.00 H new ATOM 702 N PHE A 44 -2.246 -12.029 9.456 1.00 0.00 N ATOM 703 CA PHE A 44 -2.353 -10.833 10.283 1.00 0.00 C ATOM 704 C PHE A 44 -0.988 -10.166 10.446 1.00 0.00 C ATOM 705 O PHE A 44 -0.875 -8.941 10.398 1.00 0.00 O ATOM 706 CB PHE A 44 -2.953 -11.175 11.653 1.00 0.00 C ATOM 707 CG PHE A 44 -1.995 -11.858 12.590 1.00 0.00 C ATOM 708 CD1 PHE A 44 -1.688 -13.200 12.433 1.00 0.00 C ATOM 709 CD2 PHE A 44 -1.403 -11.155 13.627 1.00 0.00 C ATOM 710 CE1 PHE A 44 -0.808 -13.829 13.294 1.00 0.00 C ATOM 711 CE2 PHE A 44 -0.522 -11.779 14.491 1.00 0.00 C ATOM 712 CZ PHE A 44 -0.225 -13.117 14.324 1.00 0.00 C ATOM 0 H PHE A 44 -2.587 -12.882 9.899 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.019 -10.131 9.782 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.310 -10.257 12.121 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.822 -11.817 11.507 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.141 -13.761 11.629 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.632 -10.108 13.762 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.577 -14.876 13.161 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.067 -11.220 15.295 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.462 -13.606 14.998 1.00 0.00 H new ATOM 722 N GLU A 45 0.045 -10.984 10.631 1.00 0.00 N ATOM 723 CA GLU A 45 1.405 -10.481 10.782 1.00 0.00 C ATOM 724 C GLU A 45 1.910 -9.886 9.472 1.00 0.00 C ATOM 725 O GLU A 45 2.620 -8.878 9.466 1.00 0.00 O ATOM 726 CB GLU A 45 2.337 -11.606 11.237 1.00 0.00 C ATOM 727 CG GLU A 45 3.325 -11.181 12.311 1.00 0.00 C ATOM 728 CD GLU A 45 4.228 -12.315 12.757 1.00 0.00 C ATOM 729 OE1 GLU A 45 3.823 -13.488 12.616 1.00 0.00 O ATOM 730 OE2 GLU A 45 5.340 -12.029 13.248 1.00 0.00 O ATOM 0 H GLU A 45 -0.036 -12.000 10.680 1.00 0.00 H new ATOM 0 HA GLU A 45 1.397 -9.696 11.539 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.736 -12.434 11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.889 -11.980 10.375 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.937 -10.362 11.933 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.777 -10.798 13.172 1.00 0.00 H new ATOM 737 N GLU A 46 1.538 -10.518 8.363 1.00 0.00 N ATOM 738 CA GLU A 46 1.956 -10.062 7.044 1.00 0.00 C ATOM 739 C GLU A 46 1.310 -8.726 6.697 1.00 0.00 C ATOM 740 O GLU A 46 1.824 -7.976 5.867 1.00 0.00 O ATOM 741 CB GLU A 46 1.595 -11.105 5.984 1.00 0.00 C ATOM 742 CG GLU A 46 2.241 -10.848 4.633 1.00 0.00 C ATOM 743 CD GLU A 46 2.021 -11.984 3.654 1.00 0.00 C ATOM 744 OE1 GLU A 46 2.319 -13.144 4.013 1.00 0.00 O ATOM 745 OE2 GLU A 46 1.553 -11.716 2.528 1.00 0.00 O ATOM 0 H GLU A 46 0.947 -11.349 8.353 1.00 0.00 H new ATOM 0 HA GLU A 46 3.038 -9.927 7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.895 -12.091 6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.512 -11.126 5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.838 -9.927 4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.311 -10.694 4.770 1.00 0.00 H new ATOM 752 N ALA A 47 0.174 -8.441 7.326 1.00 0.00 N ATOM 753 CA ALA A 47 -0.542 -7.192 7.086 1.00 0.00 C ATOM 754 C ALA A 47 0.338 -5.987 7.402 1.00 0.00 C ATOM 755 O ALA A 47 0.573 -5.136 6.544 1.00 0.00 O ATOM 756 CB ALA A 47 -1.819 -7.149 7.911 1.00 0.00 C ATOM 0 H ALA A 47 -0.271 -9.058 8.006 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.805 -7.149 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.343 -6.212 7.722 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.460 -7.986 7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.571 -7.219 8.970 1.00 0.00 H new ATOM 762 N SER A 48 0.818 -5.920 8.640 1.00 0.00 N ATOM 763 CA SER A 48 1.671 -4.821 9.074 1.00 0.00 C ATOM 764 C SER A 48 2.934 -4.738 8.224 1.00 0.00 C ATOM 765 O SER A 48 3.459 -3.651 7.980 1.00 0.00 O ATOM 766 CB SER A 48 2.045 -4.992 10.548 1.00 0.00 C ATOM 767 OG SER A 48 2.298 -3.738 11.159 1.00 0.00 O ATOM 0 H SER A 48 0.630 -6.616 9.361 1.00 0.00 H new ATOM 0 HA SER A 48 1.113 -3.893 8.951 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.237 -5.500 11.075 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.928 -5.625 10.631 1.00 0.00 H new ATOM 0 HG SER A 48 2.533 -3.874 12.101 1.00 0.00 H new ATOM 773 N GLU A 49 3.416 -5.893 7.772 1.00 0.00 N ATOM 774 CA GLU A 49 4.621 -5.951 6.952 1.00 0.00 C ATOM 775 C GLU A 49 4.369 -5.369 5.565 1.00 0.00 C ATOM 776 O GLU A 49 5.221 -4.674 5.009 1.00 0.00 O ATOM 777 CB GLU A 49 5.110 -7.396 6.830 1.00 0.00 C ATOM 778 CG GLU A 49 6.416 -7.660 7.562 1.00 0.00 C ATOM 779 CD GLU A 49 7.626 -7.575 6.651 1.00 0.00 C ATOM 780 OE1 GLU A 49 7.438 -7.447 5.422 1.00 0.00 O ATOM 781 OE2 GLU A 49 8.762 -7.634 7.167 1.00 0.00 O ATOM 0 H GLU A 49 2.990 -6.801 7.960 1.00 0.00 H new ATOM 0 HA GLU A 49 5.390 -5.353 7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.343 -8.065 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.239 -7.640 5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.525 -6.939 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.379 -8.649 8.018 1.00 0.00 H new ATOM 788 N LEU A 50 3.197 -5.659 5.007 1.00 0.00 N ATOM 789 CA LEU A 50 2.833 -5.166 3.685 1.00 0.00 C ATOM 790 C LEU A 50 2.656 -3.652 3.703 1.00 0.00 C ATOM 791 O LEU A 50 3.039 -2.959 2.762 1.00 0.00 O ATOM 792 CB LEU A 50 1.542 -5.840 3.211 1.00 0.00 C ATOM 793 CG LEU A 50 1.686 -6.702 1.955 1.00 0.00 C ATOM 794 CD1 LEU A 50 0.358 -7.355 1.602 1.00 0.00 C ATOM 795 CD2 LEU A 50 2.201 -5.870 0.792 1.00 0.00 C ATOM 0 H LEU A 50 2.482 -6.235 5.452 1.00 0.00 H new ATOM 0 HA LEU A 50 3.639 -5.410 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.157 -6.463 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.796 -5.069 3.020 1.00 0.00 H new ATOM 0 HG LEU A 50 2.412 -7.489 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.479 -7.964 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.032 -7.986 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.389 -6.583 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.297 -6.500 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.501 -5.060 0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.175 -5.452 1.047 1.00 0.00 H new ATOM 807 N VAL A 51 2.102 -3.149 4.800 1.00 0.00 N ATOM 808 CA VAL A 51 1.873 -1.719 4.967 1.00 0.00 C ATOM 809 C VAL A 51 3.190 -0.948 4.997 1.00 0.00 C ATOM 810 O VAL A 51 3.321 0.096 4.358 1.00 0.00 O ATOM 811 CB VAL A 51 1.095 -1.438 6.266 1.00 0.00 C ATOM 812 CG1 VAL A 51 1.092 0.047 6.589 1.00 0.00 C ATOM 813 CG2 VAL A 51 -0.326 -1.973 6.162 1.00 0.00 C ATOM 0 H VAL A 51 1.801 -3.716 5.593 1.00 0.00 H new ATOM 0 HA VAL A 51 1.285 -1.384 4.112 1.00 0.00 H new ATOM 0 HB VAL A 51 1.598 -1.956 7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.536 0.218 7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.118 0.394 6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.620 0.596 5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.861 -1.766 7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.838 -1.488 5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.298 -3.049 5.992 1.00 0.00 H new ATOM 823 N ARG A 52 4.162 -1.464 5.744 1.00 0.00 N ATOM 824 CA ARG A 52 5.463 -0.816 5.850 1.00 0.00 C ATOM 825 C ARG A 52 6.132 -0.748 4.485 1.00 0.00 C ATOM 826 O ARG A 52 6.731 0.265 4.125 1.00 0.00 O ATOM 827 CB ARG A 52 6.358 -1.565 6.839 1.00 0.00 C ATOM 828 CG ARG A 52 7.547 -0.750 7.321 1.00 0.00 C ATOM 829 CD ARG A 52 8.853 -1.509 7.147 1.00 0.00 C ATOM 830 NE ARG A 52 10.017 -0.655 7.369 1.00 0.00 N ATOM 831 CZ ARG A 52 11.002 -0.953 8.211 1.00 0.00 C ATOM 832 NH1 ARG A 52 10.964 -2.081 8.909 1.00 0.00 N ATOM 833 NH2 ARG A 52 12.026 -0.124 8.357 1.00 0.00 N ATOM 0 H ARG A 52 4.073 -2.326 6.282 1.00 0.00 H new ATOM 0 HA ARG A 52 5.312 0.199 6.219 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.761 -1.866 7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.721 -2.478 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.594 0.188 6.768 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.411 -0.494 8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.880 -2.347 7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.897 -1.928 6.142 1.00 0.00 H new ATOM 0 HE ARG A 52 10.078 0.220 6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.178 -2.722 8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.721 -2.307 9.554 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.059 0.744 7.823 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.781 -0.354 9.003 1.00 0.00 H new ATOM 847 N LYS A 53 6.005 -1.825 3.717 1.00 0.00 N ATOM 848 CA LYS A 53 6.545 -1.856 2.367 1.00 0.00 C ATOM 849 C LYS A 53 5.772 -0.883 1.488 1.00 0.00 C ATOM 850 O LYS A 53 6.331 -0.258 0.587 1.00 0.00 O ATOM 851 CB LYS A 53 6.460 -3.270 1.787 1.00 0.00 C ATOM 852 CG LYS A 53 7.601 -3.608 0.840 1.00 0.00 C ATOM 853 CD LYS A 53 7.633 -5.092 0.513 1.00 0.00 C ATOM 854 CE LYS A 53 9.054 -5.582 0.284 1.00 0.00 C ATOM 855 NZ LYS A 53 9.572 -6.349 1.449 1.00 0.00 N ATOM 0 H LYS A 53 5.535 -2.683 4.006 1.00 0.00 H new ATOM 0 HA LYS A 53 7.594 -1.561 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.453 -3.990 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.514 -3.380 1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.493 -3.034 -0.080 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.549 -3.313 1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.180 -5.655 1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.034 -5.282 -0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.082 -6.211 -0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.705 -4.729 0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.543 -6.665 1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.570 -5.742 2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.966 -7.177 1.617 1.00 0.00 H new ATOM 869 N LEU A 54 4.476 -0.765 1.767 1.00 0.00 N ATOM 870 CA LEU A 54 3.611 0.152 1.037 1.00 0.00 C ATOM 871 C LEU A 54 3.983 1.598 1.342 1.00 0.00 C ATOM 872 O LEU A 54 3.688 2.505 0.563 1.00 0.00 O ATOM 873 CB LEU A 54 2.146 -0.101 1.403 1.00 0.00 C ATOM 874 CG LEU A 54 1.262 -0.609 0.259 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.109 0.458 -0.813 1.00 0.00 C ATOM 876 CD2 LEU A 54 1.830 -1.891 -0.334 1.00 0.00 C ATOM 0 H LEU A 54 4.002 -1.297 2.497 1.00 0.00 H new ATOM 0 HA LEU A 54 3.746 -0.023 -0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.112 -0.827 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.719 0.826 1.785 1.00 0.00 H new ATOM 0 HG LEU A 54 0.275 -0.831 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.478 0.078 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.649 1.346 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.090 0.716 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.186 -2.233 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.831 -1.700 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.880 -2.658 0.439 1.00 0.00 H new ATOM 888 N GLN A 55 4.634 1.806 2.485 1.00 0.00 N ATOM 889 CA GLN A 55 5.049 3.140 2.901 1.00 0.00 C ATOM 890 C GLN A 55 6.128 3.687 1.971 1.00 0.00 C ATOM 891 O GLN A 55 6.367 3.139 0.894 1.00 0.00 O ATOM 892 CB GLN A 55 5.568 3.110 4.341 1.00 0.00 C ATOM 893 CG GLN A 55 4.504 3.437 5.377 1.00 0.00 C ATOM 894 CD GLN A 55 4.049 4.881 5.308 1.00 0.00 C ATOM 895 OE1 GLN A 55 2.980 5.183 4.776 1.00 0.00 O ATOM 896 NE2 GLN A 55 4.859 5.784 5.848 1.00 0.00 N ATOM 0 H GLN A 55 4.885 1.065 3.139 1.00 0.00 H new ATOM 0 HA GLN A 55 4.181 3.797 2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.976 2.121 4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.389 3.821 4.438 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.645 2.782 5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.896 3.230 6.373 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.736 5.490 6.279 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.605 6.772 5.832 1.00 0.00 H new ATOM 905 N GLU A 56 6.771 4.776 2.386 1.00 0.00 N ATOM 906 CA GLU A 56 7.827 5.392 1.590 1.00 0.00 C ATOM 907 C GLU A 56 9.144 4.630 1.736 1.00 0.00 C ATOM 908 O GLU A 56 10.163 5.202 2.123 1.00 0.00 O ATOM 909 CB GLU A 56 8.018 6.853 2.004 1.00 0.00 C ATOM 910 CG GLU A 56 7.836 7.837 0.861 1.00 0.00 C ATOM 911 CD GLU A 56 6.394 7.946 0.408 1.00 0.00 C ATOM 912 OE1 GLU A 56 5.492 7.850 1.266 1.00 0.00 O ATOM 913 OE2 GLU A 56 6.166 8.127 -0.807 1.00 0.00 O ATOM 0 H GLU A 56 6.578 5.249 3.269 1.00 0.00 H new ATOM 0 HA GLU A 56 7.526 5.353 0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.309 7.093 2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.017 6.976 2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.190 8.820 1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.455 7.528 0.019 1.00 0.00 H new ATOM 920 N GLU A 57 9.113 3.336 1.428 1.00 0.00 N ATOM 921 CA GLU A 57 10.304 2.498 1.523 1.00 0.00 C ATOM 922 C GLU A 57 11.234 2.734 0.337 1.00 0.00 C ATOM 923 O GLU A 57 10.798 3.164 -0.730 1.00 0.00 O ATOM 924 CB GLU A 57 9.908 1.022 1.589 1.00 0.00 C ATOM 925 CG GLU A 57 10.822 0.187 2.472 1.00 0.00 C ATOM 926 CD GLU A 57 11.337 -1.055 1.772 1.00 0.00 C ATOM 927 OE1 GLU A 57 11.346 -1.073 0.523 1.00 0.00 O ATOM 928 OE2 GLU A 57 11.733 -2.010 2.472 1.00 0.00 O ATOM 0 H GLU A 57 8.277 2.846 1.111 1.00 0.00 H new ATOM 0 HA GLU A 57 10.835 2.767 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.886 0.945 1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.912 0.608 0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.668 0.796 2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.282 -0.106 3.372 1.00 0.00 H new ATOM 935 N LYS A 58 12.517 2.442 0.531 1.00 0.00 N ATOM 936 CA LYS A 58 13.511 2.623 -0.517 1.00 0.00 C ATOM 937 C LYS A 58 13.467 1.473 -1.519 1.00 0.00 C ATOM 938 O LYS A 58 13.438 0.303 -1.136 1.00 0.00 O ATOM 939 CB LYS A 58 14.911 2.727 0.092 1.00 0.00 C ATOM 940 CG LYS A 58 15.020 3.765 1.197 1.00 0.00 C ATOM 941 CD LYS A 58 15.617 5.065 0.685 1.00 0.00 C ATOM 942 CE LYS A 58 16.198 5.896 1.818 1.00 0.00 C ATOM 943 NZ LYS A 58 15.483 7.192 1.979 1.00 0.00 N ATOM 0 H LYS A 58 12.891 2.078 1.407 1.00 0.00 H new ATOM 0 HA LYS A 58 13.279 3.548 -1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.198 1.754 0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.623 2.972 -0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.032 3.957 1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.638 3.374 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.397 4.846 -0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.849 5.640 0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.140 5.332 2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.254 6.085 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.909 7.729 2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.559 7.742 1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.480 7.012 2.189 1.00 0.00 H new ATOM 957 N TYR A 59 13.462 1.812 -2.806 1.00 0.00 N ATOM 958 CA TYR A 59 13.424 0.807 -3.863 1.00 0.00 C ATOM 959 C TYR A 59 14.834 0.395 -4.273 1.00 0.00 C ATOM 960 O TYR A 59 15.305 -0.685 -3.915 1.00 0.00 O ATOM 961 CB TYR A 59 12.662 1.343 -5.077 1.00 0.00 C ATOM 962 CG TYR A 59 11.454 0.513 -5.451 1.00 0.00 C ATOM 963 CD1 TYR A 59 10.272 0.608 -4.727 1.00 0.00 C ATOM 964 CD2 TYR A 59 11.496 -0.363 -6.528 1.00 0.00 C ATOM 965 CE1 TYR A 59 9.166 -0.147 -5.066 1.00 0.00 C ATOM 966 CE2 TYR A 59 10.393 -1.122 -6.874 1.00 0.00 C ATOM 967 CZ TYR A 59 9.231 -1.011 -6.139 1.00 0.00 C ATOM 968 OH TYR A 59 8.131 -1.764 -6.480 1.00 0.00 O ATOM 0 H TYR A 59 13.484 2.775 -3.141 1.00 0.00 H new ATOM 0 HA TYR A 59 12.907 -0.072 -3.477 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.341 2.364 -4.872 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.340 1.387 -5.930 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.217 1.283 -3.886 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.405 -0.453 -7.105 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.254 -0.061 -4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.441 -1.798 -7.715 1.00 0.00 H new ATOM 0 HH TYR A 59 8.343 -2.319 -7.259 1.00 0.00 H new ATOM 978 N GLY A 60 15.504 1.263 -5.028 1.00 0.00 N ATOM 979 CA GLY A 60 16.852 0.971 -5.477 1.00 0.00 C ATOM 980 C GLY A 60 17.107 1.433 -6.898 1.00 0.00 C ATOM 981 O GLY A 60 18.232 1.788 -7.250 1.00 0.00 O ATOM 0 H GLY A 60 15.136 2.163 -5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 60 17.566 1.453 -4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.028 -0.103 -5.411 1.00 0.00 H new ATOM 985 N SER A 61 16.059 1.428 -7.717 1.00 0.00 N ATOM 986 CA SER A 61 16.174 1.848 -9.110 1.00 0.00 C ATOM 987 C SER A 61 15.943 3.349 -9.247 1.00 0.00 C ATOM 988 O SER A 61 15.833 3.871 -10.356 1.00 0.00 O ATOM 989 CB SER A 61 15.169 1.086 -9.977 1.00 0.00 C ATOM 990 OG SER A 61 15.467 1.234 -11.354 1.00 0.00 O ATOM 0 H SER A 61 15.121 1.138 -7.440 1.00 0.00 H new ATOM 0 HA SER A 61 17.185 1.622 -9.450 1.00 0.00 H new ATOM 0 HB2 SER A 61 15.182 0.029 -9.711 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.162 1.452 -9.778 1.00 0.00 H new ATOM 0 HG SER A 61 15.574 2.185 -11.565 1.00 0.00 H new ATOM 996 N CYS A 62 15.876 4.038 -8.113 1.00 0.00 N ATOM 997 CA CYS A 62 15.657 5.480 -8.104 1.00 0.00 C ATOM 998 C CYS A 62 16.925 6.230 -8.500 1.00 0.00 C ATOM 999 O CYS A 62 17.914 5.624 -8.911 1.00 0.00 O ATOM 1000 CB CYS A 62 15.193 5.935 -6.719 1.00 0.00 C ATOM 1001 SG CYS A 62 13.622 5.215 -6.190 1.00 0.00 S ATOM 0 H CYS A 62 15.970 3.621 -7.187 1.00 0.00 H new ATOM 0 HA CYS A 62 14.882 5.708 -8.835 1.00 0.00 H new ATOM 0 HB2 CYS A 62 15.961 5.680 -5.989 1.00 0.00 H new ATOM 0 HB3 CYS A 62 15.101 7.021 -6.718 1.00 0.00 H new ATOM 0 HG CYS A 62 13.317 5.659 -5.007 1.00 0.00 H new ATOM 1007 N HIS A 63 16.886 7.553 -8.371 1.00 0.00 N ATOM 1008 CA HIS A 63 18.028 8.392 -8.716 1.00 0.00 C ATOM 1009 C HIS A 63 19.210 8.113 -7.793 1.00 0.00 C ATOM 1010 O HIS A 63 20.366 8.166 -8.214 1.00 0.00 O ATOM 1011 CB HIS A 63 17.642 9.870 -8.632 1.00 0.00 C ATOM 1012 CG HIS A 63 17.188 10.450 -9.935 1.00 0.00 C ATOM 1013 ND1 HIS A 63 15.929 10.980 -10.085 1.00 0.00 N ATOM 1014 CD2 HIS A 63 17.859 10.565 -11.108 1.00 0.00 C ATOM 1015 CE1 HIS A 63 15.858 11.400 -11.335 1.00 0.00 C ATOM 1016 NE2 HIS A 63 17.004 11.168 -11.992 1.00 0.00 N ATOM 0 H HIS A 63 16.074 8.067 -8.029 1.00 0.00 H new ATOM 0 HA HIS A 63 18.325 8.155 -9.738 1.00 0.00 H new ATOM 0 HB2 HIS A 63 16.847 9.987 -7.896 1.00 0.00 H new ATOM 0 HB3 HIS A 63 18.498 10.440 -8.270 1.00 0.00 H new ATOM 0 HD2 HIS A 63 18.871 10.244 -11.306 1.00 0.00 H new ATOM 0 HE1 HIS A 63 14.989 11.870 -11.772 1.00 0.00 H new ATOM 0 HE2 HIS A 63 17.202 11.397 -12.966 1.00 0.00 H new ATOM 1024 N PHE A 64 18.912 7.822 -6.531 1.00 0.00 N ATOM 1025 CA PHE A 64 19.948 7.544 -5.543 1.00 0.00 C ATOM 1026 C PHE A 64 20.709 6.268 -5.888 1.00 0.00 C ATOM 1027 O PHE A 64 20.134 5.179 -5.919 1.00 0.00 O ATOM 1028 CB PHE A 64 19.331 7.424 -4.148 1.00 0.00 C ATOM 1029 CG PHE A 64 20.004 8.283 -3.117 1.00 0.00 C ATOM 1030 CD1 PHE A 64 19.995 9.664 -3.232 1.00 0.00 C ATOM 1031 CD2 PHE A 64 20.645 7.709 -2.031 1.00 0.00 C ATOM 1032 CE1 PHE A 64 20.615 10.457 -2.285 1.00 0.00 C ATOM 1033 CE2 PHE A 64 21.265 8.496 -1.080 1.00 0.00 C ATOM 1034 CZ PHE A 64 21.251 9.872 -1.207 1.00 0.00 C ATOM 0 H PHE A 64 17.960 7.773 -6.168 1.00 0.00 H new ATOM 0 HA PHE A 64 20.653 8.375 -5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.276 7.694 -4.202 1.00 0.00 H new ATOM 0 HB3 PHE A 64 19.377 6.383 -3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 64 19.497 10.126 -4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 64 20.660 6.634 -1.927 1.00 0.00 H new ATOM 0 HE1 PHE A 64 20.602 11.532 -2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 64 21.760 8.036 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 64 21.736 10.489 -0.465 1.00 0.00 H new ATOM 1044 N THR A 65 22.005 6.411 -6.145 1.00 0.00 N ATOM 1045 CA THR A 65 22.850 5.271 -6.486 1.00 0.00 C ATOM 1046 C THR A 65 23.606 4.769 -5.259 1.00 0.00 C ATOM 1047 O THR A 65 23.481 5.329 -4.169 1.00 0.00 O ATOM 1048 CB THR A 65 23.837 5.657 -7.591 1.00 0.00 C ATOM 1049 OG1 THR A 65 24.558 4.522 -8.037 1.00 0.00 O ATOM 1050 CG2 THR A 65 24.843 6.703 -7.163 1.00 0.00 C ATOM 0 H THR A 65 22.494 7.306 -6.124 1.00 0.00 H new ATOM 0 HA THR A 65 22.209 4.467 -6.847 1.00 0.00 H new ATOM 0 HB THR A 65 23.225 6.076 -8.389 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.518 4.721 -8.032 1.00 0.00 H new ATOM 0 HG21 THR A 65 25.510 6.928 -7.995 1.00 0.00 H new ATOM 0 HG22 THR A 65 24.319 7.610 -6.862 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.426 6.325 -6.323 1.00 0.00 H new ATOM 1058 N ASN A 66 24.391 3.711 -5.442 1.00 0.00 N ATOM 1059 CA ASN A 66 25.167 3.135 -4.350 1.00 0.00 C ATOM 1060 C ASN A 66 26.488 3.881 -4.165 1.00 0.00 C ATOM 1061 O ASN A 66 27.096 4.331 -5.138 1.00 0.00 O ATOM 1062 CB ASN A 66 25.438 1.653 -4.616 1.00 0.00 C ATOM 1063 CG ASN A 66 24.280 0.769 -4.196 1.00 0.00 C ATOM 1064 OD1 ASN A 66 23.610 0.165 -5.033 1.00 0.00 O ATOM 1065 ND2 ASN A 66 24.038 0.693 -2.893 1.00 0.00 N ATOM 0 H ASN A 66 24.506 3.235 -6.337 1.00 0.00 H new ATOM 0 HA ASN A 66 24.585 3.233 -3.434 1.00 0.00 H new ATOM 0 HB2 ASN A 66 25.636 1.508 -5.678 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.337 1.349 -4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 66 23.270 0.116 -2.550 1.00 0.00 H new ATOM 0 HD22 ASN A 66 24.620 1.212 -2.235 1.00 0.00 H new ATOM 1072 N PRO A 67 26.953 4.024 -2.908 1.00 0.00 N ATOM 1073 CA PRO A 67 28.206 4.725 -2.603 1.00 0.00 C ATOM 1074 C PRO A 67 29.397 4.139 -3.355 1.00 0.00 C ATOM 1075 O PRO A 67 30.244 4.874 -3.865 1.00 0.00 O ATOM 1076 CB PRO A 67 28.378 4.523 -1.095 1.00 0.00 C ATOM 1077 CG PRO A 67 27.003 4.254 -0.586 1.00 0.00 C ATOM 1078 CD PRO A 67 26.291 3.523 -1.689 1.00 0.00 C ATOM 0 HA PRO A 67 28.165 5.772 -2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 67 29.048 3.690 -0.882 1.00 0.00 H new ATOM 0 HB3 PRO A 67 28.808 5.407 -0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 67 27.034 3.654 0.324 1.00 0.00 H new ATOM 0 HG3 PRO A 67 26.490 5.183 -0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 67 26.396 2.443 -1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 67 25.223 3.741 -1.692 1.00 0.00 H new ATOM 1086 N SER A 68 29.455 2.813 -3.424 1.00 0.00 N ATOM 1087 CA SER A 68 30.542 2.129 -4.115 1.00 0.00 C ATOM 1088 C SER A 68 30.285 2.080 -5.617 1.00 0.00 C ATOM 1089 O SER A 68 31.211 1.915 -6.411 1.00 0.00 O ATOM 1090 CB SER A 68 30.709 0.709 -3.566 1.00 0.00 C ATOM 1091 OG SER A 68 29.454 0.132 -3.253 1.00 0.00 O ATOM 0 H SER A 68 28.761 2.190 -3.010 1.00 0.00 H new ATOM 0 HA SER A 68 31.461 2.689 -3.940 1.00 0.00 H new ATOM 0 HB2 SER A 68 31.224 0.090 -4.301 1.00 0.00 H new ATOM 0 HB3 SER A 68 31.335 0.732 -2.674 1.00 0.00 H new ATOM 0 HG SER A 68 29.588 -0.775 -2.906 1.00 0.00 H new ATOM 1097 N LYS A 69 29.020 2.225 -6.000 1.00 0.00 N ATOM 1098 CA LYS A 69 28.639 2.206 -7.407 1.00 0.00 C ATOM 1099 C LYS A 69 28.690 3.609 -8.001 1.00 0.00 C ATOM 1100 O LYS A 69 27.667 4.158 -8.415 1.00 0.00 O ATOM 1101 CB LYS A 69 27.234 1.622 -7.568 1.00 0.00 C ATOM 1102 CG LYS A 69 27.184 0.109 -7.432 1.00 0.00 C ATOM 1103 CD LYS A 69 26.250 -0.511 -8.458 1.00 0.00 C ATOM 1104 CE LYS A 69 25.721 -1.856 -7.989 1.00 0.00 C ATOM 1105 NZ LYS A 69 26.810 -2.860 -7.836 1.00 0.00 N ATOM 0 H LYS A 69 28.241 2.357 -5.355 1.00 0.00 H new ATOM 0 HA LYS A 69 29.350 1.577 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 69 26.577 2.067 -6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 69 26.842 1.904 -8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 69 28.186 -0.302 -7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 69 26.852 -0.157 -6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 69 25.415 0.164 -8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 69 26.778 -0.636 -9.403 1.00 0.00 H new ATOM 0 HE2 LYS A 69 25.206 -1.731 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 69 24.985 -2.225 -8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 26.403 -3.772 -7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 27.307 -2.974 -8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 27.482 -2.536 -7.111 1.00 0.00 H new ATOM 1119 N ARG A 70 29.886 4.188 -8.038 1.00 0.00 N ATOM 1120 CA ARG A 70 30.069 5.529 -8.580 1.00 0.00 C ATOM 1121 C ARG A 70 30.177 5.492 -10.101 1.00 0.00 C ATOM 1122 O ARG A 70 30.844 4.624 -10.664 1.00 0.00 O ATOM 1123 CB ARG A 70 31.321 6.176 -7.985 1.00 0.00 C ATOM 1124 CG ARG A 70 31.031 7.092 -6.807 1.00 0.00 C ATOM 1125 CD ARG A 70 31.473 8.519 -7.086 1.00 0.00 C ATOM 1126 NE ARG A 70 30.981 9.452 -6.076 1.00 0.00 N ATOM 1127 CZ ARG A 70 29.716 9.852 -5.994 1.00 0.00 C ATOM 1128 NH1 ARG A 70 28.817 9.403 -6.860 1.00 0.00 N ATOM 1129 NH2 ARG A 70 29.348 10.703 -5.046 1.00 0.00 N ATOM 0 H ARG A 70 30.742 3.749 -7.699 1.00 0.00 H new ATOM 0 HA ARG A 70 29.197 6.124 -8.310 1.00 0.00 H new ATOM 0 HB2 ARG A 70 32.008 5.392 -7.665 1.00 0.00 H new ATOM 0 HB3 ARG A 70 31.829 6.747 -8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 70 29.963 7.077 -6.588 1.00 0.00 H new ATOM 0 HG3 ARG A 70 31.543 6.719 -5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 70 32.562 8.561 -7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 70 31.112 8.825 -8.068 1.00 0.00 H new ATOM 0 HE ARG A 70 31.646 9.818 -5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 70 29.096 8.749 -7.591 1.00 0.00 H new ATOM 0 HH12 ARG A 70 27.847 9.712 -6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 70 30.036 11.052 -4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 70 28.377 11.009 -4.984 1.00 0.00 H new ATOM 1143 N GLU A 71 29.512 6.437 -10.758 1.00 0.00 N ATOM 1144 CA GLU A 71 29.530 6.511 -12.214 1.00 0.00 C ATOM 1145 C GLU A 71 30.678 7.390 -12.701 1.00 0.00 C ATOM 1146 O GLU A 71 30.625 8.615 -12.466 1.00 0.00 O ATOM 1147 CB GLU A 71 28.199 7.060 -12.733 1.00 0.00 C ATOM 1148 CG GLU A 71 26.986 6.315 -12.199 1.00 0.00 C ATOM 1149 CD GLU A 71 26.409 5.341 -13.208 1.00 0.00 C ATOM 1150 OE1 GLU A 71 27.036 4.286 -13.439 1.00 0.00 O ATOM 1151 OE2 GLU A 71 25.332 5.634 -13.768 1.00 0.00 O ATOM 1152 OXT GLU A 71 31.620 6.845 -13.314 1.00 0.00 O ATOM 0 H GLU A 71 28.955 7.161 -10.305 1.00 0.00 H new ATOM 0 HA GLU A 71 29.678 5.503 -12.602 1.00 0.00 H new ATOM 0 HB2 GLU A 71 28.118 8.112 -12.460 1.00 0.00 H new ATOM 0 HB3 GLU A 71 28.195 7.011 -13.822 1.00 0.00 H new ATOM 0 HG2 GLU A 71 27.266 5.773 -11.296 1.00 0.00 H new ATOM 0 HG3 GLU A 71 26.218 7.035 -11.914 1.00 0.00 H new TER 1159 GLU A 71