USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 593 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 69 TYR OH : rot -82:sc= 0.223 USER MOD Set 1.2: A 73 HIS :FLIP no HE2:sc= -0.165 F(o=-2.2,f=0.058) USER MOD Set 2.1: A 42 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00132) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.565 K(o=-0.57,f=-1.4) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.0288 X(o=-0.029,f=-0.21) USER MOD Single : A 26 MET CE :methyl -143:sc= -1.8! (180deg=-3.91!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 39 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.5) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 150:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -161:sc= -0.018 (180deg=-0.23) USER MOD Single : A 72 SER OG : rot 72:sc= 0.9 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 21:sc= 0.0296 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= -0.0561 USER MOD Single : A 86 LYS NZ :NH3+ -99:sc= 1.63 (180deg=-1.8) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N VAL A 10 -0.659 5.992 -4.701 1.00 0.00 N ATOM 98 CA VAL A 10 -1.391 5.253 -3.679 1.00 0.00 C ATOM 99 C VAL A 10 -2.003 3.980 -4.254 1.00 0.00 C ATOM 100 O VAL A 10 -2.557 3.986 -5.354 1.00 0.00 O ATOM 101 CB VAL A 10 -2.509 6.111 -3.059 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.326 6.792 -4.147 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.400 5.261 -2.166 1.00 0.00 C ATOM 0 HA VAL A 10 -0.672 4.989 -2.903 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.050 6.885 -2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.111 7.394 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.676 7.434 -4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.777 6.036 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.185 5.884 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.852 4.464 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.803 4.826 -1.365 1.00 0.00 H new ATOM 113 N LEU A 11 -1.898 2.889 -3.504 1.00 0.00 N ATOM 114 CA LEU A 11 -2.442 1.607 -3.938 1.00 0.00 C ATOM 115 C LEU A 11 -3.565 1.150 -3.013 1.00 0.00 C ATOM 116 O LEU A 11 -3.335 0.846 -1.843 1.00 0.00 O ATOM 117 CB LEU A 11 -1.337 0.549 -3.978 1.00 0.00 C ATOM 118 CG LEU A 11 -1.803 -0.906 -4.039 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.180 -1.286 -5.463 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.721 -1.835 -3.507 1.00 0.00 C ATOM 0 H LEU A 11 -1.441 2.866 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.851 1.735 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.706 0.744 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.711 0.672 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.687 -1.011 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.509 -2.325 -5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.987 -0.641 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.314 -1.165 -6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.070 -2.866 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.180 -1.727 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.498 -1.578 -2.471 1.00 0.00 H new ATOM 132 N ASP A 12 -4.781 1.102 -3.547 1.00 0.00 N ATOM 133 CA ASP A 12 -5.941 0.679 -2.770 1.00 0.00 C ATOM 134 C ASP A 12 -5.911 -0.827 -2.526 1.00 0.00 C ATOM 135 O ASP A 12 -6.136 -1.619 -3.442 1.00 0.00 O ATOM 136 CB ASP A 12 -7.233 1.066 -3.491 1.00 0.00 C ATOM 137 CG ASP A 12 -7.491 0.212 -4.716 1.00 0.00 C ATOM 138 OD1 ASP A 12 -6.577 0.092 -5.560 1.00 0.00 O ATOM 139 OD2 ASP A 12 -8.606 -0.338 -4.832 1.00 0.00 O ATOM 0 H ASP A 12 -4.989 1.351 -4.514 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.907 1.186 -1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.072 0.971 -2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.181 2.114 -3.787 1.00 0.00 H new ATOM 144 N LEU A 13 -5.632 -1.214 -1.287 1.00 0.00 N ATOM 145 CA LEU A 13 -5.572 -2.626 -0.922 1.00 0.00 C ATOM 146 C LEU A 13 -6.940 -3.130 -0.473 1.00 0.00 C ATOM 147 O LEU A 13 -7.288 -4.291 -0.693 1.00 0.00 O ATOM 148 CB LEU A 13 -4.545 -2.842 0.191 1.00 0.00 C ATOM 149 CG LEU A 13 -3.077 -2.737 -0.222 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.168 -2.947 0.980 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.757 -3.744 -1.317 1.00 0.00 C ATOM 0 H LEU A 13 -5.444 -0.571 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.268 -3.192 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.733 -2.112 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.710 -3.828 0.624 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.901 -1.736 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.127 -2.869 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.379 -2.187 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.346 -3.936 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.708 -3.655 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.950 -4.753 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.384 -3.547 -2.187 1.00 0.00 H new ATOM 163 N HIS A 14 -7.712 -2.251 0.158 1.00 0.00 N ATOM 164 CA HIS A 14 -9.043 -2.606 0.636 1.00 0.00 C ATOM 165 C HIS A 14 -9.872 -3.233 -0.481 1.00 0.00 C ATOM 166 O HIS A 14 -10.012 -2.659 -1.561 1.00 0.00 O ATOM 167 CB HIS A 14 -9.757 -1.371 1.185 1.00 0.00 C ATOM 168 CG HIS A 14 -10.454 -0.565 0.133 1.00 0.00 C ATOM 169 ND1 HIS A 14 -9.789 0.048 -0.908 1.00 0.00 N ATOM 170 CD2 HIS A 14 -11.765 -0.273 -0.035 1.00 0.00 C ATOM 171 CE1 HIS A 14 -10.661 0.683 -1.671 1.00 0.00 C ATOM 172 NE2 HIS A 14 -11.867 0.504 -1.163 1.00 0.00 N ATOM 0 H HIS A 14 -7.438 -1.287 0.350 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.932 -3.338 1.436 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.486 -1.685 1.933 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.030 -0.738 1.694 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.579 -0.592 0.599 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.427 1.252 -2.559 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.734 0.882 -1.546 1.00 0.00 H new ATOM 180 N GLY A 15 -10.419 -4.415 -0.214 1.00 0.00 N ATOM 181 CA GLY A 15 -11.226 -5.101 -1.207 1.00 0.00 C ATOM 182 C GLY A 15 -10.621 -6.423 -1.633 1.00 0.00 C ATOM 183 O GLY A 15 -11.341 -7.389 -1.891 1.00 0.00 O ATOM 0 H GLY A 15 -10.318 -4.910 0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.223 -5.275 -0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.343 -4.460 -2.081 1.00 0.00 H new ATOM 187 N LEU A 16 -9.296 -6.469 -1.710 1.00 0.00 N ATOM 188 CA LEU A 16 -8.593 -7.683 -2.110 1.00 0.00 C ATOM 189 C LEU A 16 -8.405 -8.620 -0.921 1.00 0.00 C ATOM 190 O LEU A 16 -8.775 -8.291 0.206 1.00 0.00 O ATOM 191 CB LEU A 16 -7.235 -7.333 -2.719 1.00 0.00 C ATOM 192 CG LEU A 16 -7.250 -6.878 -4.179 1.00 0.00 C ATOM 193 CD1 LEU A 16 -6.094 -5.929 -4.454 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.191 -8.078 -5.112 1.00 0.00 C ATOM 0 H LEU A 16 -8.686 -5.679 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.198 -8.194 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.783 -6.544 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.587 -8.206 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.183 -6.345 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.121 -5.616 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.181 -5.054 -3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.151 -6.436 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.203 -7.735 -6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.275 -8.639 -4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.053 -8.721 -4.933 1.00 0.00 H new ATOM 206 N HIS A 17 -7.825 -9.787 -1.181 1.00 0.00 N ATOM 207 CA HIS A 17 -7.584 -10.771 -0.131 1.00 0.00 C ATOM 208 C HIS A 17 -6.171 -10.634 0.428 1.00 0.00 C ATOM 209 O HIS A 17 -5.226 -10.345 -0.307 1.00 0.00 O ATOM 210 CB HIS A 17 -7.796 -12.186 -0.671 1.00 0.00 C ATOM 211 CG HIS A 17 -7.960 -13.218 0.402 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.162 -14.339 0.497 1.00 0.00 N ATOM 213 CD2 HIS A 17 -8.836 -13.293 1.432 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.542 -15.060 1.537 1.00 0.00 C ATOM 215 NE2 HIS A 17 -8.555 -14.447 2.121 1.00 0.00 N ATOM 0 H HIS A 17 -7.513 -10.075 -2.109 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.294 -10.587 0.675 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.679 -12.194 -1.309 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.947 -12.458 -1.298 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -9.611 -12.579 1.668 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.099 -15.992 1.855 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.049 -14.777 2.950 1.00 0.00 H new ATOM 223 N VAL A 18 -6.034 -10.842 1.734 1.00 0.00 N ATOM 224 CA VAL A 18 -4.737 -10.742 2.392 1.00 0.00 C ATOM 225 C VAL A 18 -3.617 -11.223 1.476 1.00 0.00 C ATOM 226 O VAL A 18 -2.625 -10.523 1.271 1.00 0.00 O ATOM 227 CB VAL A 18 -4.704 -11.561 3.696 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.306 -11.557 4.295 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.720 -11.018 4.690 1.00 0.00 C ATOM 0 H VAL A 18 -6.806 -11.081 2.357 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.583 -9.689 2.628 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.970 -12.592 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.303 -12.141 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.605 -11.995 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.007 -10.532 4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.684 -11.608 5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.486 -9.978 4.918 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.719 -11.078 4.259 1.00 0.00 H new ATOM 239 N ASP A 19 -3.783 -12.421 0.926 1.00 0.00 N ATOM 240 CA ASP A 19 -2.787 -12.995 0.029 1.00 0.00 C ATOM 241 C ASP A 19 -2.541 -12.081 -1.167 1.00 0.00 C ATOM 242 O ASP A 19 -1.400 -11.731 -1.468 1.00 0.00 O ATOM 243 CB ASP A 19 -3.239 -14.375 -0.453 1.00 0.00 C ATOM 244 CG ASP A 19 -2.309 -14.955 -1.500 1.00 0.00 C ATOM 245 OD1 ASP A 19 -2.106 -14.298 -2.542 1.00 0.00 O ATOM 246 OD2 ASP A 19 -1.786 -16.067 -1.278 1.00 0.00 O ATOM 0 H ASP A 19 -4.598 -13.013 1.086 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.853 -13.099 0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.293 -15.054 0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.245 -14.301 -0.866 1.00 0.00 H new ATOM 251 N GLU A 20 -3.619 -11.698 -1.845 1.00 0.00 N ATOM 252 CA GLU A 20 -3.518 -10.826 -3.009 1.00 0.00 C ATOM 253 C GLU A 20 -2.873 -9.494 -2.637 1.00 0.00 C ATOM 254 O GLU A 20 -1.848 -9.110 -3.199 1.00 0.00 O ATOM 255 CB GLU A 20 -4.903 -10.583 -3.613 1.00 0.00 C ATOM 256 CG GLU A 20 -5.290 -11.598 -4.676 1.00 0.00 C ATOM 257 CD GLU A 20 -5.432 -13.001 -4.119 1.00 0.00 C ATOM 258 OE1 GLU A 20 -5.608 -13.135 -2.889 1.00 0.00 O ATOM 259 OE2 GLU A 20 -5.368 -13.964 -4.911 1.00 0.00 O ATOM 0 H GLU A 20 -4.571 -11.978 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.888 -11.321 -3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.646 -10.603 -2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.930 -9.584 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.231 -11.296 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.537 -11.598 -5.464 1.00 0.00 H new ATOM 266 N ALA A 21 -3.482 -8.794 -1.686 1.00 0.00 N ATOM 267 CA ALA A 21 -2.967 -7.506 -1.237 1.00 0.00 C ATOM 268 C ALA A 21 -1.461 -7.566 -1.008 1.00 0.00 C ATOM 269 O ALA A 21 -0.704 -6.774 -1.571 1.00 0.00 O ATOM 270 CB ALA A 21 -3.679 -7.066 0.033 1.00 0.00 C ATOM 0 H ALA A 21 -4.333 -9.097 -1.211 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.160 -6.773 -2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.284 -6.103 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.747 -6.973 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.517 -7.806 0.816 1.00 0.00 H new ATOM 276 N LEU A 22 -1.031 -8.511 -0.178 1.00 0.00 N ATOM 277 CA LEU A 22 0.386 -8.674 0.126 1.00 0.00 C ATOM 278 C LEU A 22 1.218 -8.701 -1.152 1.00 0.00 C ATOM 279 O LEU A 22 2.127 -7.890 -1.328 1.00 0.00 O ATOM 280 CB LEU A 22 0.611 -9.961 0.922 1.00 0.00 C ATOM 281 CG LEU A 22 0.475 -9.845 2.440 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.567 -11.216 3.092 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.540 -8.913 3.001 1.00 0.00 C ATOM 0 H LEU A 22 -1.643 -9.175 0.296 1.00 0.00 H new ATOM 0 HA LEU A 22 0.704 -7.822 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.098 -10.710 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.609 -10.335 0.695 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.505 -9.424 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.468 -11.112 4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.232 -11.853 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.532 -11.666 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.428 -8.842 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.529 -9.305 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.427 -7.923 2.559 1.00 0.00 H new ATOM 295 N GLU A 23 0.899 -9.636 -2.041 1.00 0.00 N ATOM 296 CA GLU A 23 1.617 -9.766 -3.303 1.00 0.00 C ATOM 297 C GLU A 23 1.719 -8.418 -4.012 1.00 0.00 C ATOM 298 O GLU A 23 2.784 -8.042 -4.504 1.00 0.00 O ATOM 299 CB GLU A 23 0.918 -10.780 -4.211 1.00 0.00 C ATOM 300 CG GLU A 23 1.000 -12.210 -3.702 1.00 0.00 C ATOM 301 CD GLU A 23 2.360 -12.837 -3.942 1.00 0.00 C ATOM 302 OE1 GLU A 23 3.374 -12.121 -3.811 1.00 0.00 O ATOM 303 OE2 GLU A 23 2.410 -14.043 -4.262 1.00 0.00 O ATOM 0 H GLU A 23 0.148 -10.314 -1.911 1.00 0.00 H new ATOM 0 HA GLU A 23 2.625 -10.119 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.130 -10.500 -4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.362 -10.731 -5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.780 -12.225 -2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.235 -12.811 -4.193 1.00 0.00 H new ATOM 310 N HIS A 24 0.604 -7.696 -4.061 1.00 0.00 N ATOM 311 CA HIS A 24 0.568 -6.390 -4.710 1.00 0.00 C ATOM 312 C HIS A 24 1.464 -5.395 -3.979 1.00 0.00 C ATOM 313 O HIS A 24 2.184 -4.616 -4.605 1.00 0.00 O ATOM 314 CB HIS A 24 -0.866 -5.862 -4.758 1.00 0.00 C ATOM 315 CG HIS A 24 -1.639 -6.335 -5.951 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.213 -6.142 -7.248 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.816 -6.997 -6.038 1.00 0.00 C ATOM 318 CE1 HIS A 24 -2.095 -6.664 -8.081 1.00 0.00 C ATOM 319 NE2 HIS A 24 -3.078 -7.190 -7.372 1.00 0.00 N ATOM 0 H HIS A 24 -0.286 -7.993 -3.660 1.00 0.00 H new ATOM 0 HA HIS A 24 0.940 -6.507 -5.728 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.388 -6.169 -3.852 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.843 -4.772 -4.759 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.435 -7.315 -5.212 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.025 -6.661 -9.159 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.898 -7.662 -7.753 1.00 0.00 H new ATOM 327 N LEU A 25 1.416 -5.426 -2.652 1.00 0.00 N ATOM 328 CA LEU A 25 2.223 -4.526 -1.836 1.00 0.00 C ATOM 329 C LEU A 25 3.710 -4.735 -2.104 1.00 0.00 C ATOM 330 O LEU A 25 4.489 -3.782 -2.112 1.00 0.00 O ATOM 331 CB LEU A 25 1.925 -4.747 -0.352 1.00 0.00 C ATOM 332 CG LEU A 25 2.855 -4.036 0.633 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.316 -2.655 0.974 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.032 -4.868 1.894 1.00 0.00 C ATOM 0 H LEU A 25 0.827 -6.065 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 25 1.965 -3.502 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.903 -4.422 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.964 -5.817 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 25 3.830 -3.916 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.990 -2.164 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.242 -2.059 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.329 -2.751 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.696 -4.347 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.063 -5.019 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.464 -5.835 1.635 1.00 0.00 H new ATOM 346 N MET A 26 4.096 -5.988 -2.324 1.00 0.00 N ATOM 347 CA MET A 26 5.490 -6.321 -2.596 1.00 0.00 C ATOM 348 C MET A 26 5.881 -5.909 -4.012 1.00 0.00 C ATOM 349 O MET A 26 6.872 -5.206 -4.213 1.00 0.00 O ATOM 350 CB MET A 26 5.725 -7.820 -2.406 1.00 0.00 C ATOM 351 CG MET A 26 5.446 -8.304 -0.992 1.00 0.00 C ATOM 352 SD MET A 26 5.513 -10.100 -0.847 1.00 0.00 S ATOM 353 CE MET A 26 3.942 -10.434 -0.054 1.00 0.00 C ATOM 0 H MET A 26 3.464 -6.789 -2.319 1.00 0.00 H new ATOM 0 HA MET A 26 6.113 -5.771 -1.891 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.091 -8.370 -3.101 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.758 -8.053 -2.664 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.172 -7.861 -0.311 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.462 -7.955 -0.680 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.061 -11.250 0.659 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.602 -9.541 0.470 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.206 -10.715 -0.808 1.00 0.00 H new ATOM 363 N ARG A 27 5.096 -6.350 -4.990 1.00 0.00 N ATOM 364 CA ARG A 27 5.362 -6.028 -6.387 1.00 0.00 C ATOM 365 C ARG A 27 5.411 -4.518 -6.597 1.00 0.00 C ATOM 366 O ARG A 27 6.386 -3.985 -7.128 1.00 0.00 O ATOM 367 CB ARG A 27 4.290 -6.645 -7.287 1.00 0.00 C ATOM 368 CG ARG A 27 4.525 -8.114 -7.597 1.00 0.00 C ATOM 369 CD ARG A 27 3.389 -8.698 -8.421 1.00 0.00 C ATOM 370 NE ARG A 27 3.281 -8.063 -9.732 1.00 0.00 N ATOM 371 CZ ARG A 27 2.169 -8.063 -10.459 1.00 0.00 C ATOM 372 NH1 ARG A 27 1.077 -8.662 -10.006 1.00 0.00 N ATOM 373 NH2 ARG A 27 2.149 -7.463 -11.642 1.00 0.00 N ATOM 0 H ARG A 27 4.271 -6.931 -4.841 1.00 0.00 H new ATOM 0 HA ARG A 27 6.333 -6.445 -6.652 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.318 -6.535 -6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.248 -6.087 -8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.464 -8.227 -8.139 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.625 -8.672 -6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.547 -9.769 -8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.450 -8.577 -7.881 1.00 0.00 H new ATOM 0 HE ARG A 27 4.104 -7.594 -10.110 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.089 -9.125 -9.097 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.225 -8.660 -10.566 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.988 -7.001 -11.994 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.295 -7.463 -12.200 1.00 0.00 H new ATOM 387 N VAL A 28 4.353 -3.832 -6.176 1.00 0.00 N ATOM 388 CA VAL A 28 4.275 -2.383 -6.318 1.00 0.00 C ATOM 389 C VAL A 28 5.502 -1.706 -5.718 1.00 0.00 C ATOM 390 O VAL A 28 6.047 -0.761 -6.292 1.00 0.00 O ATOM 391 CB VAL A 28 3.011 -1.820 -5.642 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.759 -2.392 -6.291 1.00 0.00 C ATOM 393 CG2 VAL A 28 3.029 -2.113 -4.150 1.00 0.00 C ATOM 0 H VAL A 28 3.538 -4.257 -5.734 1.00 0.00 H new ATOM 0 HA VAL A 28 4.232 -2.171 -7.386 1.00 0.00 H new ATOM 0 HB VAL A 28 3.000 -0.738 -5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.876 -1.983 -5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.743 -2.126 -7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.760 -3.477 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.128 -1.708 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.065 -3.191 -3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.907 -1.651 -3.699 1.00 0.00 H new ATOM 403 N LEU A 29 5.934 -2.194 -4.561 1.00 0.00 N ATOM 404 CA LEU A 29 7.099 -1.637 -3.882 1.00 0.00 C ATOM 405 C LEU A 29 8.302 -1.586 -4.818 1.00 0.00 C ATOM 406 O LEU A 29 9.054 -0.611 -4.825 1.00 0.00 O ATOM 407 CB LEU A 29 7.438 -2.467 -2.643 1.00 0.00 C ATOM 408 CG LEU A 29 6.676 -2.110 -1.366 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.766 -3.242 -0.356 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.212 -0.816 -0.770 1.00 0.00 C ATOM 0 H LEU A 29 5.495 -2.975 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 29 6.857 -0.620 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.252 -3.516 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.505 -2.368 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 29 5.627 -1.962 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.218 -2.969 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.334 -4.147 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.811 -3.423 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.658 -0.577 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.268 -0.936 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.093 -0.007 -1.491 1.00 0.00 H new ATOM 422 N GLU A 30 8.476 -2.641 -5.608 1.00 0.00 N ATOM 423 CA GLU A 30 9.588 -2.715 -6.550 1.00 0.00 C ATOM 424 C GLU A 30 9.397 -1.725 -7.695 1.00 0.00 C ATOM 425 O GLU A 30 10.293 -0.942 -8.011 1.00 0.00 O ATOM 426 CB GLU A 30 9.722 -4.134 -7.105 1.00 0.00 C ATOM 427 CG GLU A 30 10.368 -5.109 -6.134 1.00 0.00 C ATOM 428 CD GLU A 30 11.017 -6.286 -6.836 1.00 0.00 C ATOM 429 OE1 GLU A 30 10.291 -7.239 -7.189 1.00 0.00 O ATOM 430 OE2 GLU A 30 12.250 -6.255 -7.031 1.00 0.00 O ATOM 0 H GLU A 30 7.862 -3.456 -5.615 1.00 0.00 H new ATOM 0 HA GLU A 30 10.502 -2.454 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.733 -4.504 -7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.311 -4.103 -8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.119 -4.584 -5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.614 -5.476 -5.438 1.00 0.00 H new ATOM 437 N LYS A 31 8.222 -1.765 -8.315 1.00 0.00 N ATOM 438 CA LYS A 31 7.911 -0.873 -9.425 1.00 0.00 C ATOM 439 C LYS A 31 7.880 0.580 -8.963 1.00 0.00 C ATOM 440 O LYS A 31 8.689 1.399 -9.400 1.00 0.00 O ATOM 441 CB LYS A 31 6.565 -1.250 -10.048 1.00 0.00 C ATOM 442 CG LYS A 31 6.680 -2.242 -11.192 1.00 0.00 C ATOM 443 CD LYS A 31 5.356 -2.935 -11.465 1.00 0.00 C ATOM 444 CE LYS A 31 5.563 -4.304 -12.094 1.00 0.00 C ATOM 445 NZ LYS A 31 5.859 -4.207 -13.550 1.00 0.00 N ATOM 0 H LYS A 31 7.469 -2.407 -8.067 1.00 0.00 H new ATOM 0 HA LYS A 31 8.694 -0.981 -10.175 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.922 -1.672 -9.275 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.076 -0.346 -10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.013 -1.724 -12.092 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.439 -2.987 -10.954 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.801 -3.042 -10.533 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.750 -2.317 -12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.383 -4.815 -11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.670 -4.911 -11.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.994 -5.161 -13.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.065 -3.742 -14.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.725 -3.649 -13.692 1.00 0.00 H new ATOM 459 N LYS A 32 6.942 0.894 -8.075 1.00 0.00 N ATOM 460 CA LYS A 32 6.807 2.248 -7.551 1.00 0.00 C ATOM 461 C LYS A 32 8.172 2.912 -7.402 1.00 0.00 C ATOM 462 O LYS A 32 8.469 3.902 -8.072 1.00 0.00 O ATOM 463 CB LYS A 32 6.090 2.224 -6.200 1.00 0.00 C ATOM 464 CG LYS A 32 4.615 1.873 -6.300 1.00 0.00 C ATOM 465 CD LYS A 32 3.820 2.989 -6.956 1.00 0.00 C ATOM 466 CE LYS A 32 2.324 2.804 -6.749 1.00 0.00 C ATOM 467 NZ LYS A 32 1.558 4.026 -7.118 1.00 0.00 N ATOM 0 H LYS A 32 6.264 0.229 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 32 6.216 2.828 -8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.583 1.502 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.191 3.201 -5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.497 0.954 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.218 1.679 -5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.130 3.949 -6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.040 3.015 -8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.976 1.962 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.130 2.555 -5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.543 3.860 -6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.872 4.824 -6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.723 4.250 -8.120 1.00 0.00 H new ATOM 481 N THR A 33 9.000 2.362 -6.520 1.00 0.00 N ATOM 482 CA THR A 33 10.334 2.901 -6.283 1.00 0.00 C ATOM 483 C THR A 33 11.162 2.899 -7.563 1.00 0.00 C ATOM 484 O THR A 33 12.062 3.722 -7.731 1.00 0.00 O ATOM 485 CB THR A 33 11.080 2.099 -5.201 1.00 0.00 C ATOM 486 OG1 THR A 33 12.385 2.652 -4.994 1.00 0.00 O ATOM 487 CG2 THR A 33 11.201 0.636 -5.599 1.00 0.00 C ATOM 0 H THR A 33 8.770 1.543 -5.957 1.00 0.00 H new ATOM 0 HA THR A 33 10.204 3.927 -5.939 1.00 0.00 H new ATOM 0 HB THR A 33 10.508 2.161 -4.275 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.853 2.137 -4.303 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.732 0.089 -4.819 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.206 0.210 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.753 0.558 -6.536 1.00 0.00 H new ATOM 495 N GLU A 34 10.852 1.971 -8.462 1.00 0.00 N ATOM 496 CA GLU A 34 11.569 1.864 -9.727 1.00 0.00 C ATOM 497 C GLU A 34 11.559 3.195 -10.473 1.00 0.00 C ATOM 498 O GLU A 34 12.611 3.738 -10.809 1.00 0.00 O ATOM 499 CB GLU A 34 10.947 0.773 -10.601 1.00 0.00 C ATOM 500 CG GLU A 34 11.888 0.238 -11.668 1.00 0.00 C ATOM 501 CD GLU A 34 11.171 -0.594 -12.714 1.00 0.00 C ATOM 502 OE1 GLU A 34 10.694 -1.696 -12.372 1.00 0.00 O ATOM 503 OE2 GLU A 34 11.086 -0.142 -13.875 1.00 0.00 O ATOM 0 H GLU A 34 10.110 1.283 -8.338 1.00 0.00 H new ATOM 0 HA GLU A 34 12.603 1.598 -9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.626 -0.052 -9.965 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.053 1.170 -11.082 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.391 1.073 -12.156 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.661 -0.367 -11.195 1.00 0.00 H new ATOM 510 N GLU A 35 10.362 3.714 -10.729 1.00 0.00 N ATOM 511 CA GLU A 35 10.215 4.981 -11.436 1.00 0.00 C ATOM 512 C GLU A 35 10.755 6.137 -10.600 1.00 0.00 C ATOM 513 O GLU A 35 11.273 7.117 -11.136 1.00 0.00 O ATOM 514 CB GLU A 35 8.745 5.230 -11.781 1.00 0.00 C ATOM 515 CG GLU A 35 8.137 4.154 -12.665 1.00 0.00 C ATOM 516 CD GLU A 35 9.042 3.765 -13.818 1.00 0.00 C ATOM 517 OE1 GLU A 35 9.304 4.627 -14.683 1.00 0.00 O ATOM 518 OE2 GLU A 35 9.487 2.599 -13.855 1.00 0.00 O ATOM 0 H GLU A 35 9.481 3.277 -10.458 1.00 0.00 H new ATOM 0 HA GLU A 35 10.793 4.922 -12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.170 5.297 -10.857 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.656 6.194 -12.283 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.924 3.271 -12.062 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.185 4.508 -13.059 1.00 0.00 H new ATOM 525 N PHE A 36 10.629 6.016 -9.282 1.00 0.00 N ATOM 526 CA PHE A 36 11.103 7.051 -8.371 1.00 0.00 C ATOM 527 C PHE A 36 12.608 7.257 -8.517 1.00 0.00 C ATOM 528 O PHE A 36 13.103 8.381 -8.434 1.00 0.00 O ATOM 529 CB PHE A 36 10.766 6.680 -6.925 1.00 0.00 C ATOM 530 CG PHE A 36 11.768 7.185 -5.927 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.956 8.545 -5.741 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.523 6.299 -5.176 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.877 9.013 -4.823 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.446 6.761 -4.256 1.00 0.00 C ATOM 535 CZ PHE A 36 13.624 8.119 -4.080 1.00 0.00 C ATOM 0 H PHE A 36 10.203 5.212 -8.822 1.00 0.00 H new ATOM 0 HA PHE A 36 10.600 7.983 -8.627 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.783 7.080 -6.675 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.699 5.595 -6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.376 9.248 -6.320 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.389 5.236 -5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 36 13.013 10.076 -4.687 1.00 0.00 H new ATOM 0 HE2 PHE A 36 14.027 6.060 -3.675 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.346 8.482 -3.363 1.00 0.00 H new ATOM 545 N LYS A 37 13.330 6.163 -8.733 1.00 0.00 N ATOM 546 CA LYS A 37 14.779 6.221 -8.892 1.00 0.00 C ATOM 547 C LYS A 37 15.156 6.560 -10.330 1.00 0.00 C ATOM 548 O LYS A 37 16.012 7.409 -10.573 1.00 0.00 O ATOM 549 CB LYS A 37 15.411 4.887 -8.488 1.00 0.00 C ATOM 550 CG LYS A 37 15.375 4.626 -6.992 1.00 0.00 C ATOM 551 CD LYS A 37 15.685 3.173 -6.673 1.00 0.00 C ATOM 552 CE LYS A 37 16.028 2.986 -5.203 1.00 0.00 C ATOM 553 NZ LYS A 37 16.252 1.553 -4.863 1.00 0.00 N ATOM 0 H LYS A 37 12.936 5.225 -8.802 1.00 0.00 H new ATOM 0 HA LYS A 37 15.159 7.008 -8.241 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.892 4.078 -9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.447 4.868 -8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.097 5.272 -6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.391 4.884 -6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.827 2.552 -6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.519 2.834 -7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.923 3.560 -4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.220 3.383 -4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.483 1.468 -3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.390 1.009 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.040 1.180 -5.431 1.00 0.00 H new ATOM 567 N GLN A 38 14.509 5.890 -11.280 1.00 0.00 N ATOM 568 CA GLN A 38 14.777 6.122 -12.694 1.00 0.00 C ATOM 569 C GLN A 38 14.335 7.520 -13.110 1.00 0.00 C ATOM 570 O GLN A 38 15.132 8.310 -13.613 1.00 0.00 O ATOM 571 CB GLN A 38 14.064 5.072 -13.548 1.00 0.00 C ATOM 572 CG GLN A 38 14.879 3.808 -13.766 1.00 0.00 C ATOM 573 CD GLN A 38 14.214 2.843 -14.728 1.00 0.00 C ATOM 574 OE1 GLN A 38 13.409 2.003 -14.326 1.00 0.00 O ATOM 575 NE2 GLN A 38 14.548 2.959 -16.008 1.00 0.00 N ATOM 0 H GLN A 38 13.797 5.183 -11.096 1.00 0.00 H new ATOM 0 HA GLN A 38 15.852 6.040 -12.853 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.120 4.808 -13.071 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.820 5.508 -14.517 1.00 0.00 H new ATOM 0 HG2 GLN A 38 15.863 4.077 -14.149 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.035 3.311 -12.808 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.220 3.670 -16.297 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.133 2.337 -16.702 1.00 0.00 H new ATOM 584 N ASN A 39 13.057 7.819 -12.897 1.00 0.00 N ATOM 585 CA ASN A 39 12.508 9.123 -13.251 1.00 0.00 C ATOM 586 C ASN A 39 12.459 10.041 -12.034 1.00 0.00 C ATOM 587 O ASN A 39 13.194 11.025 -11.956 1.00 0.00 O ATOM 588 CB ASN A 39 11.105 8.965 -13.842 1.00 0.00 C ATOM 589 CG ASN A 39 10.527 10.283 -14.319 1.00 0.00 C ATOM 590 OD1 ASN A 39 11.236 11.285 -14.418 1.00 0.00 O ATOM 591 ND2 ASN A 39 9.233 10.288 -14.617 1.00 0.00 N ATOM 0 H ASN A 39 12.383 7.176 -12.481 1.00 0.00 H new ATOM 0 HA ASN A 39 13.161 9.574 -13.998 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.142 8.264 -14.676 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.444 8.532 -13.091 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.788 11.146 -14.943 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.684 9.434 -14.520 1.00 0.00 H new ATOM 598 N GLY A 40 11.588 9.712 -11.085 1.00 0.00 N ATOM 599 CA GLY A 40 11.459 10.517 -9.884 1.00 0.00 C ATOM 600 C GLY A 40 10.134 10.302 -9.181 1.00 0.00 C ATOM 601 O GLY A 40 9.211 9.716 -9.746 1.00 0.00 O ATOM 0 H GLY A 40 10.969 8.902 -11.126 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.273 10.276 -9.200 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.562 11.571 -10.144 1.00 0.00 H new ATOM 605 N GLY A 41 10.039 10.776 -7.943 1.00 0.00 N ATOM 606 CA GLY A 41 8.813 10.621 -7.181 1.00 0.00 C ATOM 607 C GLY A 41 9.025 10.821 -5.694 1.00 0.00 C ATOM 608 O GLY A 41 10.093 11.259 -5.265 1.00 0.00 O ATOM 0 H GLY A 41 10.789 11.265 -7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.074 11.337 -7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.404 9.626 -7.356 1.00 0.00 H new ATOM 612 N LYS A 42 8.006 10.502 -4.904 1.00 0.00 N ATOM 613 CA LYS A 42 8.084 10.649 -3.455 1.00 0.00 C ATOM 614 C LYS A 42 8.795 9.455 -2.825 1.00 0.00 C ATOM 615 O LYS A 42 8.602 8.306 -3.223 1.00 0.00 O ATOM 616 CB LYS A 42 6.682 10.794 -2.860 1.00 0.00 C ATOM 617 CG LYS A 42 5.986 12.086 -3.251 1.00 0.00 C ATOM 618 CD LYS A 42 5.229 11.938 -4.561 1.00 0.00 C ATOM 619 CE LYS A 42 4.335 13.139 -4.827 1.00 0.00 C ATOM 620 NZ LYS A 42 3.084 13.089 -4.021 1.00 0.00 N ATOM 0 H LYS A 42 7.115 10.139 -5.243 1.00 0.00 H new ATOM 0 HA LYS A 42 8.659 11.549 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.071 9.950 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.750 10.742 -1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.295 12.381 -2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.723 12.884 -3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.938 11.822 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.624 11.032 -4.532 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.879 14.055 -4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.083 13.176 -5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.494 13.916 -4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.560 12.219 -4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.323 13.096 -3.009 1.00 0.00 H new ATOM 634 N PRO A 43 9.634 9.731 -1.816 1.00 0.00 N ATOM 635 CA PRO A 43 10.388 8.692 -1.107 1.00 0.00 C ATOM 636 C PRO A 43 9.491 7.808 -0.249 1.00 0.00 C ATOM 637 O PRO A 43 9.969 6.916 0.452 1.00 0.00 O ATOM 638 CB PRO A 43 11.352 9.492 -0.227 1.00 0.00 C ATOM 639 CG PRO A 43 10.678 10.805 -0.023 1.00 0.00 C ATOM 640 CD PRO A 43 9.912 11.077 -1.288 1.00 0.00 C ATOM 0 HA PRO A 43 10.885 8.008 -1.795 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.532 8.988 0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.321 9.615 -0.711 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.011 10.772 0.838 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.407 11.592 0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.993 11.629 -1.090 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.496 11.672 -1.991 1.00 0.00 H new ATOM 648 N TYR A 44 8.188 8.061 -0.308 1.00 0.00 N ATOM 649 CA TYR A 44 7.223 7.288 0.466 1.00 0.00 C ATOM 650 C TYR A 44 6.093 6.779 -0.424 1.00 0.00 C ATOM 651 O TYR A 44 5.976 7.173 -1.585 1.00 0.00 O ATOM 652 CB TYR A 44 6.650 8.139 1.600 1.00 0.00 C ATOM 653 CG TYR A 44 5.880 9.349 1.121 1.00 0.00 C ATOM 654 CD1 TYR A 44 6.542 10.480 0.660 1.00 0.00 C ATOM 655 CD2 TYR A 44 4.491 9.359 1.127 1.00 0.00 C ATOM 656 CE1 TYR A 44 5.842 11.588 0.222 1.00 0.00 C ATOM 657 CE2 TYR A 44 3.783 10.462 0.689 1.00 0.00 C ATOM 658 CZ TYR A 44 4.463 11.574 0.238 1.00 0.00 C ATOM 659 OH TYR A 44 3.762 12.674 -0.199 1.00 0.00 O ATOM 0 H TYR A 44 7.776 8.795 -0.884 1.00 0.00 H new ATOM 0 HA TYR A 44 7.741 6.428 0.891 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.993 7.520 2.211 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.466 8.469 2.243 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.622 10.494 0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.955 8.490 1.480 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.372 12.460 -0.131 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.703 10.453 0.700 1.00 0.00 H new ATOM 0 HH TYR A 44 2.800 12.500 -0.123 1.00 0.00 H new ATOM 669 N LEU A 45 5.264 5.901 0.129 1.00 0.00 N ATOM 670 CA LEU A 45 4.141 5.337 -0.612 1.00 0.00 C ATOM 671 C LEU A 45 2.886 5.288 0.253 1.00 0.00 C ATOM 672 O LEU A 45 2.934 4.870 1.410 1.00 0.00 O ATOM 673 CB LEU A 45 4.487 3.933 -1.109 1.00 0.00 C ATOM 674 CG LEU A 45 3.534 3.333 -2.144 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.668 4.055 -3.475 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.799 1.844 -2.313 1.00 0.00 C ATOM 0 H LEU A 45 5.348 5.564 1.088 1.00 0.00 H new ATOM 0 HA LEU A 45 3.943 5.981 -1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.489 3.958 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.525 3.264 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 45 2.512 3.461 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.982 3.614 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.427 5.110 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.691 3.959 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.112 1.434 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.825 1.693 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.650 1.337 -1.359 1.00 0.00 H new ATOM 688 N SER A 46 1.764 5.717 -0.316 1.00 0.00 N ATOM 689 CA SER A 46 0.496 5.723 0.405 1.00 0.00 C ATOM 690 C SER A 46 -0.249 4.407 0.204 1.00 0.00 C ATOM 691 O SER A 46 -0.770 4.134 -0.878 1.00 0.00 O ATOM 692 CB SER A 46 -0.374 6.892 -0.062 1.00 0.00 C ATOM 693 OG SER A 46 0.243 8.134 0.226 1.00 0.00 O ATOM 0 H SER A 46 1.707 6.065 -1.273 1.00 0.00 H new ATOM 0 HA SER A 46 0.710 5.840 1.467 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.552 6.811 -1.134 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.347 6.844 0.427 1.00 0.00 H new ATOM 0 HG SER A 46 -0.332 8.865 -0.084 1.00 0.00 H new ATOM 699 N VAL A 47 -0.296 3.595 1.255 1.00 0.00 N ATOM 700 CA VAL A 47 -0.979 2.308 1.196 1.00 0.00 C ATOM 701 C VAL A 47 -2.266 2.330 2.012 1.00 0.00 C ATOM 702 O VAL A 47 -2.235 2.448 3.237 1.00 0.00 O ATOM 703 CB VAL A 47 -0.077 1.171 1.713 1.00 0.00 C ATOM 704 CG1 VAL A 47 -0.845 -0.142 1.757 1.00 0.00 C ATOM 705 CG2 VAL A 47 1.166 1.041 0.845 1.00 0.00 C ATOM 0 H VAL A 47 0.131 3.805 2.157 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.220 2.125 0.149 1.00 0.00 H new ATOM 0 HB VAL A 47 0.239 1.414 2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.192 -0.933 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.702 -0.040 2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.192 -0.394 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.792 0.233 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.872 0.821 -0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.726 1.976 0.869 1.00 0.00 H new ATOM 715 N ILE A 48 -3.398 2.216 1.325 1.00 0.00 N ATOM 716 CA ILE A 48 -4.697 2.222 1.986 1.00 0.00 C ATOM 717 C ILE A 48 -5.256 0.809 2.111 1.00 0.00 C ATOM 718 O ILE A 48 -5.676 0.205 1.123 1.00 0.00 O ATOM 719 CB ILE A 48 -5.711 3.098 1.227 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.186 4.530 1.099 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.057 3.083 1.934 1.00 0.00 C ATOM 722 CD1 ILE A 48 -5.963 5.373 0.112 1.00 0.00 C ATOM 0 H ILE A 48 -3.441 2.118 0.311 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.543 2.639 2.981 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.844 2.689 0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.218 5.009 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.140 4.499 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.763 3.707 1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.434 2.061 1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.941 3.471 2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.535 6.375 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.910 4.917 -0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.005 5.435 0.427 1.00 0.00 H new ATOM 734 N THR A 49 -5.261 0.286 3.333 1.00 0.00 N ATOM 735 CA THR A 49 -5.769 -1.055 3.589 1.00 0.00 C ATOM 736 C THR A 49 -7.285 -1.048 3.747 1.00 0.00 C ATOM 737 O THR A 49 -7.980 -1.907 3.205 1.00 0.00 O ATOM 738 CB THR A 49 -5.136 -1.665 4.854 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.456 -0.864 5.997 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.625 -1.767 4.707 1.00 0.00 C ATOM 0 H THR A 49 -4.918 0.772 4.162 1.00 0.00 H new ATOM 0 HA THR A 49 -5.499 -1.664 2.727 1.00 0.00 H new ATOM 0 HB THR A 49 -5.541 -2.668 4.989 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.497 -1.433 6.794 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.200 -2.200 5.612 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.384 -2.401 3.854 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.207 -0.773 4.550 1.00 0.00 H new ATOM 885 N ARG A 61 -8.052 -8.102 7.566 1.00 0.00 N ATOM 886 CA ARG A 61 -6.825 -8.767 7.988 1.00 0.00 C ATOM 887 C ARG A 61 -5.665 -8.401 7.068 1.00 0.00 C ATOM 888 O ARG A 61 -4.643 -9.087 7.039 1.00 0.00 O ATOM 889 CB ARG A 61 -7.021 -10.284 8.002 1.00 0.00 C ATOM 890 CG ARG A 61 -8.023 -10.759 9.041 1.00 0.00 C ATOM 891 CD ARG A 61 -7.728 -12.182 9.490 1.00 0.00 C ATOM 892 NE ARG A 61 -6.534 -12.255 10.328 1.00 0.00 N ATOM 893 CZ ARG A 61 -5.326 -12.548 9.861 1.00 0.00 C ATOM 894 NH1 ARG A 61 -5.152 -12.795 8.570 1.00 0.00 N ATOM 895 NH2 ARG A 61 -4.288 -12.595 10.686 1.00 0.00 N ATOM 0 HA ARG A 61 -6.586 -8.430 8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.352 -10.608 7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.061 -10.764 8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.999 -10.092 9.903 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.030 -10.708 8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.583 -12.572 10.042 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.596 -12.818 8.615 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.633 -12.071 11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.947 -12.760 7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.223 -13.020 8.214 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.418 -12.406 11.680 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.360 -12.820 10.326 1.00 0.00 H new ATOM 909 N ILE A 62 -5.830 -7.317 6.317 1.00 0.00 N ATOM 910 CA ILE A 62 -4.797 -6.860 5.397 1.00 0.00 C ATOM 911 C ILE A 62 -3.702 -6.097 6.134 1.00 0.00 C ATOM 912 O ILE A 62 -2.513 -6.290 5.877 1.00 0.00 O ATOM 913 CB ILE A 62 -5.383 -5.959 4.294 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.465 -6.708 3.514 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.282 -5.482 3.359 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.267 -5.819 2.589 1.00 0.00 C ATOM 0 H ILE A 62 -6.670 -6.739 6.328 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.369 -7.750 4.937 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.838 -5.086 4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.997 -7.500 2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.142 -7.190 4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.712 -4.846 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.544 -4.915 3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.800 -6.343 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.015 -6.417 2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.763 -5.042 3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.601 -5.357 1.860 1.00 0.00 H new ATOM 928 N LYS A 63 -4.111 -5.229 7.053 1.00 0.00 N ATOM 929 CA LYS A 63 -3.166 -4.437 7.832 1.00 0.00 C ATOM 930 C LYS A 63 -2.196 -5.337 8.591 1.00 0.00 C ATOM 931 O LYS A 63 -0.978 -5.174 8.524 1.00 0.00 O ATOM 932 CB LYS A 63 -3.914 -3.533 8.815 1.00 0.00 C ATOM 933 CG LYS A 63 -3.354 -2.123 8.892 1.00 0.00 C ATOM 934 CD LYS A 63 -3.990 -1.333 10.024 1.00 0.00 C ATOM 935 CE LYS A 63 -3.054 -0.251 10.541 1.00 0.00 C ATOM 936 NZ LYS A 63 -3.586 0.400 11.771 1.00 0.00 N ATOM 0 H LYS A 63 -5.091 -5.056 7.277 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.594 -3.818 7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.963 -3.483 8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.880 -3.983 9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.275 -2.166 9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.527 -1.609 7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.917 -0.878 9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.253 -2.008 10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.078 -0.686 10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.906 0.502 9.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.920 1.131 12.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.506 0.837 11.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.704 -0.314 12.518 1.00 0.00 H new ATOM 950 N PRO A 64 -2.747 -6.312 9.329 1.00 0.00 N ATOM 951 CA PRO A 64 -1.948 -7.259 10.112 1.00 0.00 C ATOM 952 C PRO A 64 -0.800 -7.856 9.305 1.00 0.00 C ATOM 953 O PRO A 64 0.345 -7.871 9.754 1.00 0.00 O ATOM 954 CB PRO A 64 -2.957 -8.346 10.491 1.00 0.00 C ATOM 955 CG PRO A 64 -4.279 -7.658 10.476 1.00 0.00 C ATOM 956 CD PRO A 64 -4.192 -6.566 9.455 1.00 0.00 C ATOM 0 HA PRO A 64 -1.474 -6.781 10.969 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.933 -9.173 9.781 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.739 -8.763 11.474 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.076 -8.358 10.225 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.512 -7.249 11.459 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.628 -6.873 8.504 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.728 -5.673 9.778 1.00 0.00 H new ATOM 964 N ALA A 65 -1.116 -8.348 8.111 1.00 0.00 N ATOM 965 CA ALA A 65 -0.110 -8.943 7.240 1.00 0.00 C ATOM 966 C ALA A 65 0.926 -7.910 6.810 1.00 0.00 C ATOM 967 O ALA A 65 2.126 -8.101 7.005 1.00 0.00 O ATOM 968 CB ALA A 65 -0.771 -9.570 6.022 1.00 0.00 C ATOM 0 H ALA A 65 -2.060 -8.346 7.725 1.00 0.00 H new ATOM 0 HA ALA A 65 0.405 -9.722 7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.008 -10.011 5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.466 -10.345 6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.313 -8.804 5.468 1.00 0.00 H new ATOM 974 N VAL A 66 0.454 -6.814 6.224 1.00 0.00 N ATOM 975 CA VAL A 66 1.339 -5.750 5.766 1.00 0.00 C ATOM 976 C VAL A 66 2.310 -5.333 6.865 1.00 0.00 C ATOM 977 O VAL A 66 3.522 -5.291 6.653 1.00 0.00 O ATOM 978 CB VAL A 66 0.541 -4.516 5.305 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.482 -3.388 4.911 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.381 -4.879 4.151 1.00 0.00 C ATOM 0 H VAL A 66 -0.537 -6.640 6.055 1.00 0.00 H new ATOM 0 HA VAL A 66 1.901 -6.147 4.920 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.073 -4.171 6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.900 -2.525 4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.097 -3.111 5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.124 -3.718 4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.937 -3.995 3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.212 -5.250 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.079 -5.652 4.472 1.00 0.00 H new ATOM 990 N ILE A 67 1.769 -5.025 8.039 1.00 0.00 N ATOM 991 CA ILE A 67 2.588 -4.612 9.172 1.00 0.00 C ATOM 992 C ILE A 67 3.652 -5.657 9.491 1.00 0.00 C ATOM 993 O ILE A 67 4.822 -5.328 9.689 1.00 0.00 O ATOM 994 CB ILE A 67 1.730 -4.368 10.428 1.00 0.00 C ATOM 995 CG1 ILE A 67 0.720 -3.248 10.172 1.00 0.00 C ATOM 996 CG2 ILE A 67 2.617 -4.029 11.617 1.00 0.00 C ATOM 997 CD1 ILE A 67 -0.381 -3.179 11.207 1.00 0.00 C ATOM 0 H ILE A 67 0.768 -5.054 8.230 1.00 0.00 H new ATOM 0 HA ILE A 67 3.073 -3.678 8.887 1.00 0.00 H new ATOM 0 HB ILE A 67 1.180 -5.281 10.659 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.246 -2.294 10.149 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.274 -3.390 9.188 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.997 -3.859 12.497 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.300 -4.856 11.809 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.190 -3.128 11.398 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.060 -2.362 10.962 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.932 -4.119 11.215 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.055 -3.006 12.191 1.00 0.00 H new ATOM 1009 N LYS A 68 3.238 -6.919 9.538 1.00 0.00 N ATOM 1010 CA LYS A 68 4.154 -8.014 9.830 1.00 0.00 C ATOM 1011 C LYS A 68 5.232 -8.124 8.756 1.00 0.00 C ATOM 1012 O LYS A 68 6.407 -8.329 9.061 1.00 0.00 O ATOM 1013 CB LYS A 68 3.387 -9.335 9.934 1.00 0.00 C ATOM 1014 CG LYS A 68 4.111 -10.397 10.742 1.00 0.00 C ATOM 1015 CD LYS A 68 3.389 -11.733 10.680 1.00 0.00 C ATOM 1016 CE LYS A 68 4.307 -12.881 11.072 1.00 0.00 C ATOM 1017 NZ LYS A 68 5.349 -13.137 10.039 1.00 0.00 N ATOM 0 H LYS A 68 2.273 -7.208 9.377 1.00 0.00 H new ATOM 0 HA LYS A 68 4.637 -7.805 10.785 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.414 -9.146 10.388 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.202 -9.718 8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.127 -10.513 10.364 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.192 -10.074 11.780 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.526 -11.713 11.345 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.010 -11.897 9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.787 -12.653 12.023 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.715 -13.784 11.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.739 -14.093 10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.925 -13.061 9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.112 -12.436 10.134 1.00 0.00 H new ATOM 1031 N TYR A 69 4.824 -7.984 7.500 1.00 0.00 N ATOM 1032 CA TYR A 69 5.755 -8.067 6.380 1.00 0.00 C ATOM 1033 C TYR A 69 6.748 -6.910 6.410 1.00 0.00 C ATOM 1034 O TYR A 69 7.947 -7.099 6.199 1.00 0.00 O ATOM 1035 CB TYR A 69 4.992 -8.066 5.055 1.00 0.00 C ATOM 1036 CG TYR A 69 5.889 -8.145 3.840 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.278 -9.373 3.319 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.349 -6.993 3.214 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.098 -9.451 2.210 1.00 0.00 C ATOM 1040 CE2 TYR A 69 7.168 -7.061 2.104 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.540 -8.293 1.606 1.00 0.00 C ATOM 1042 OH TYR A 69 8.357 -8.365 0.501 1.00 0.00 O ATOM 0 H TYR A 69 3.855 -7.813 7.231 1.00 0.00 H new ATOM 0 HA TYR A 69 6.311 -9.000 6.471 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.302 -8.909 5.042 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.389 -7.160 4.993 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.933 -10.282 3.789 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.061 -6.027 3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.391 -10.414 1.818 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.515 -6.155 1.629 1.00 0.00 H new ATOM 0 HH TYR A 69 9.282 -8.514 0.787 1.00 0.00 H new ATOM 1052 N LEU A 70 6.241 -5.711 6.674 1.00 0.00 N ATOM 1053 CA LEU A 70 7.082 -4.520 6.733 1.00 0.00 C ATOM 1054 C LEU A 70 8.202 -4.694 7.754 1.00 0.00 C ATOM 1055 O LEU A 70 9.383 -4.604 7.416 1.00 0.00 O ATOM 1056 CB LEU A 70 6.240 -3.293 7.087 1.00 0.00 C ATOM 1057 CG LEU A 70 5.228 -2.846 6.031 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.199 -1.907 6.642 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.937 -2.177 4.863 1.00 0.00 C ATOM 0 H LEU A 70 5.252 -5.537 6.851 1.00 0.00 H new ATOM 0 HA LEU A 70 7.530 -4.374 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.702 -3.501 8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.914 -2.461 7.291 1.00 0.00 H new ATOM 0 HG LEU A 70 4.708 -3.728 5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.487 -1.599 5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.669 -2.420 7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.702 -1.028 7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.202 -1.865 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.484 -1.305 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.634 -2.881 4.409 1.00 0.00 H new ATOM 1071 N ILE A 71 7.823 -4.947 9.002 1.00 0.00 N ATOM 1072 CA ILE A 71 8.796 -5.137 10.071 1.00 0.00 C ATOM 1073 C ILE A 71 9.885 -6.119 9.655 1.00 0.00 C ATOM 1074 O ILE A 71 11.069 -5.888 9.898 1.00 0.00 O ATOM 1075 CB ILE A 71 8.124 -5.648 11.359 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.083 -4.641 11.852 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.168 -5.908 12.435 1.00 0.00 C ATOM 1078 CD1 ILE A 71 5.956 -5.273 12.639 1.00 0.00 C ATOM 0 H ILE A 71 6.850 -5.025 9.298 1.00 0.00 H new ATOM 0 HA ILE A 71 9.244 -4.163 10.267 1.00 0.00 H new ATOM 0 HB ILE A 71 7.617 -6.587 11.138 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.577 -3.896 12.475 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.665 -4.113 10.995 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.677 -6.269 13.339 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.875 -6.659 12.082 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.701 -4.983 12.656 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.256 -4.500 12.957 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.437 -5.998 12.012 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.362 -5.777 13.516 1.00 0.00 H new ATOM 1090 N SER A 72 9.476 -7.216 9.025 1.00 0.00 N ATOM 1091 CA SER A 72 10.417 -8.236 8.576 1.00 0.00 C ATOM 1092 C SER A 72 11.601 -7.601 7.853 1.00 0.00 C ATOM 1093 O SER A 72 12.751 -7.752 8.269 1.00 0.00 O ATOM 1094 CB SER A 72 9.717 -9.234 7.652 1.00 0.00 C ATOM 1095 OG SER A 72 8.655 -9.891 8.323 1.00 0.00 O ATOM 0 H SER A 72 8.499 -7.421 8.814 1.00 0.00 H new ATOM 0 HA SER A 72 10.789 -8.764 9.454 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.331 -8.714 6.775 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.437 -9.970 7.295 1.00 0.00 H new ATOM 0 HG SER A 72 7.912 -9.265 8.452 1.00 0.00 H new ATOM 1101 N HIS A 73 11.313 -6.891 6.767 1.00 0.00 N ATOM 1102 CA HIS A 73 12.353 -6.232 5.986 1.00 0.00 C ATOM 1103 C HIS A 73 12.742 -4.897 6.614 1.00 0.00 C ATOM 1104 O HIS A 73 13.396 -4.069 5.981 1.00 0.00 O ATOM 1105 CB HIS A 73 11.879 -6.014 4.548 1.00 0.00 C ATOM 1106 CG HIS A 73 11.618 -7.287 3.804 1.00 0.00 C ATOM 1107 ND1 HIS A 73 12.428 -8.336 3.534 1.00 0.00 N flip ATOM 1108 CD2 HIS A 73 10.399 -7.590 3.236 1.00 0.00 C flip ATOM 1109 CE1 HIS A 73 11.691 -9.246 2.816 1.00 0.00 C flip ATOM 1110 NE2 HIS A 73 10.470 -8.772 2.651 1.00 0.00 N flip ATOM 0 H HIS A 73 10.368 -6.757 6.408 1.00 0.00 H new ATOM 0 HA HIS A 73 13.231 -6.878 5.978 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.967 -5.417 4.561 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.630 -5.436 4.010 1.00 0.00 H new ATOM 0 HD1 HIS A 73 13.405 -8.433 3.812 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.523 -6.959 3.265 1.00 0.00 H new ATOM 0 HE1 HIS A 73 12.052 -10.195 2.447 1.00 0.00 H new ATOM 1118 N SER A 74 12.334 -4.695 7.863 1.00 0.00 N ATOM 1119 CA SER A 74 12.636 -3.459 8.575 1.00 0.00 C ATOM 1120 C SER A 74 12.181 -2.245 7.772 1.00 0.00 C ATOM 1121 O SER A 74 12.904 -1.254 7.660 1.00 0.00 O ATOM 1122 CB SER A 74 14.135 -3.364 8.862 1.00 0.00 C ATOM 1123 OG SER A 74 14.583 -4.478 9.614 1.00 0.00 O ATOM 0 H SER A 74 11.794 -5.371 8.402 1.00 0.00 H new ATOM 0 HA SER A 74 12.093 -3.471 9.520 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.685 -3.311 7.923 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.346 -2.444 9.408 1.00 0.00 H new ATOM 0 HG SER A 74 15.545 -4.394 9.782 1.00 0.00 H new ATOM 1129 N PHE A 75 10.978 -2.328 7.214 1.00 0.00 N ATOM 1130 CA PHE A 75 10.427 -1.237 6.419 1.00 0.00 C ATOM 1131 C PHE A 75 9.892 -0.126 7.318 1.00 0.00 C ATOM 1132 O PHE A 75 8.932 -0.323 8.063 1.00 0.00 O ATOM 1133 CB PHE A 75 9.310 -1.754 5.510 1.00 0.00 C ATOM 1134 CG PHE A 75 9.795 -2.204 4.162 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.302 -1.289 3.252 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.744 -3.541 3.803 1.00 0.00 C ATOM 1137 CE1 PHE A 75 10.748 -1.701 2.011 1.00 0.00 C ATOM 1138 CE2 PHE A 75 10.190 -3.959 2.563 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.693 -3.037 1.666 1.00 0.00 C ATOM 0 H PHE A 75 10.366 -3.140 7.298 1.00 0.00 H new ATOM 0 HA PHE A 75 11.228 -0.829 5.803 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.807 -2.586 6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.568 -0.967 5.376 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.349 -0.243 3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.351 -4.266 4.501 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.140 -0.978 1.311 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.145 -5.005 2.296 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.043 -3.360 0.697 1.00 0.00 H new ATOM 1149 N ARG A 76 10.522 1.042 7.243 1.00 0.00 N ATOM 1150 CA ARG A 76 10.112 2.184 8.051 1.00 0.00 C ATOM 1151 C ARG A 76 8.757 2.715 7.593 1.00 0.00 C ATOM 1152 O ARG A 76 8.580 3.076 6.429 1.00 0.00 O ATOM 1153 CB ARG A 76 11.161 3.295 7.970 1.00 0.00 C ATOM 1154 CG ARG A 76 11.071 4.300 9.107 1.00 0.00 C ATOM 1155 CD ARG A 76 12.006 5.479 8.883 1.00 0.00 C ATOM 1156 NE ARG A 76 13.401 5.060 8.778 1.00 0.00 N ATOM 1157 CZ ARG A 76 14.130 4.665 9.816 1.00 0.00 C ATOM 1158 NH1 ARG A 76 13.598 4.635 11.030 1.00 0.00 N ATOM 1159 NH2 ARG A 76 15.393 4.299 9.640 1.00 0.00 N ATOM 0 H ARG A 76 11.318 1.222 6.631 1.00 0.00 H new ATOM 0 HA ARG A 76 10.022 1.853 9.085 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.154 2.846 7.970 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.049 3.821 7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.046 4.659 9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.320 3.810 10.048 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.716 6.004 7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.901 6.186 9.706 1.00 0.00 H new ATOM 0 HE ARG A 76 13.840 5.071 7.857 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.627 4.916 11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.160 4.331 11.826 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.805 4.321 8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.952 3.996 10.438 1.00 0.00 H new ATOM 1173 N PHE A 77 7.802 2.760 8.516 1.00 0.00 N ATOM 1174 CA PHE A 77 6.462 3.245 8.208 1.00 0.00 C ATOM 1175 C PHE A 77 5.851 3.959 9.410 1.00 0.00 C ATOM 1176 O PHE A 77 6.306 3.790 10.542 1.00 0.00 O ATOM 1177 CB PHE A 77 5.562 2.084 7.779 1.00 0.00 C ATOM 1178 CG PHE A 77 5.216 1.148 8.901 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.202 0.403 9.528 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.905 1.012 9.328 1.00 0.00 C ATOM 1181 CE1 PHE A 77 5.887 -0.460 10.561 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.584 0.152 10.361 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.576 -0.586 10.977 1.00 0.00 C ATOM 0 H PHE A 77 7.932 2.466 9.484 1.00 0.00 H new ATOM 0 HA PHE A 77 6.541 3.957 7.387 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.642 2.486 7.355 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.059 1.522 6.988 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.228 0.498 9.206 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.125 1.585 8.848 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.665 -1.035 11.042 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.559 0.057 10.686 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.327 -1.261 11.783 1.00 0.00 H new ATOM 1193 N SER A 78 4.819 4.757 9.156 1.00 0.00 N ATOM 1194 CA SER A 78 4.148 5.500 10.216 1.00 0.00 C ATOM 1195 C SER A 78 2.643 5.554 9.974 1.00 0.00 C ATOM 1196 O SER A 78 2.174 5.303 8.864 1.00 0.00 O ATOM 1197 CB SER A 78 4.712 6.919 10.309 1.00 0.00 C ATOM 1198 OG SER A 78 5.924 6.940 11.044 1.00 0.00 O ATOM 0 H SER A 78 4.429 4.906 8.225 1.00 0.00 H new ATOM 0 HA SER A 78 4.328 4.982 11.158 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.884 7.311 9.307 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.982 7.573 10.786 1.00 0.00 H new ATOM 0 HG SER A 78 6.316 6.042 11.054 1.00 0.00 H new ATOM 1204 N GLU A 79 1.893 5.883 11.020 1.00 0.00 N ATOM 1205 CA GLU A 79 0.440 5.968 10.921 1.00 0.00 C ATOM 1206 C GLU A 79 -0.032 7.410 11.088 1.00 0.00 C ATOM 1207 O GLU A 79 0.004 7.962 12.188 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.219 5.078 11.977 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.735 5.041 11.882 1.00 0.00 C ATOM 1210 CD GLU A 79 -2.390 4.591 13.173 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -1.810 3.728 13.864 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -3.483 5.104 13.493 1.00 0.00 O ATOM 0 H GLU A 79 2.266 6.095 11.945 1.00 0.00 H new ATOM 0 HA GLU A 79 0.147 5.620 9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.168 4.064 11.878 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.066 5.432 12.968 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.103 6.033 11.619 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.028 4.368 11.076 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.474 8.012 9.990 1.00 0.00 N ATOM 1220 CA ILE A 80 -0.954 9.388 10.014 1.00 0.00 C ATOM 1221 C ILE A 80 -2.478 9.439 10.034 1.00 0.00 C ATOM 1222 O ILE A 80 -3.073 10.369 10.579 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.442 10.185 8.800 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.772 9.447 7.502 1.00 0.00 C ATOM 1225 CG2 ILE A 80 1.057 10.420 8.916 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.791 10.345 6.284 1.00 0.00 C ATOM 0 H ILE A 80 -0.510 7.569 9.072 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.565 9.841 10.926 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.942 11.153 8.782 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.040 8.655 7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.745 8.966 7.604 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.405 10.985 8.051 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.268 10.983 9.825 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.574 9.461 8.955 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.032 9.754 5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.543 11.122 6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.188 10.806 6.156 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.106 8.431 9.438 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.561 8.357 9.389 1.00 0.00 C ATOM 1240 C LYS A 81 -5.056 7.019 9.929 1.00 0.00 C ATOM 1241 O LYS A 81 -4.361 6.004 9.874 1.00 0.00 O ATOM 1242 CB LYS A 81 -5.054 8.553 7.954 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.394 9.718 7.237 1.00 0.00 C ATOM 1244 CD LYS A 81 -5.329 10.351 6.221 1.00 0.00 C ATOM 1245 CE LYS A 81 -5.243 9.652 4.873 1.00 0.00 C ATOM 1246 NZ LYS A 81 -6.122 10.295 3.858 1.00 0.00 N ATOM 0 H LYS A 81 -2.629 7.653 8.982 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.962 9.153 10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.872 7.639 7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.133 8.710 7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.087 10.468 7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.490 9.372 6.735 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.353 10.306 6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.079 11.405 6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.211 9.667 4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.526 8.606 4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.035 9.790 2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.110 10.259 4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.836 11.287 3.729 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.287 7.014 10.462 1.00 0.00 N ATOM 1261 CA PRO A 82 -6.903 5.807 11.021 1.00 0.00 C ATOM 1262 C PRO A 82 -7.259 4.787 9.945 1.00 0.00 C ATOM 1263 O PRO A 82 -7.826 3.735 10.236 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.171 6.335 11.697 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.493 7.593 10.967 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.172 8.187 10.561 1.00 0.00 C ATOM 0 HA PRO A 82 -6.229 5.283 11.699 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.987 5.616 11.625 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.005 6.524 12.758 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.114 7.390 10.095 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.051 8.281 11.602 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.245 8.717 9.611 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.809 8.903 11.299 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.922 5.106 8.699 1.00 0.00 N ATOM 1275 CA GLY A 83 -7.214 4.206 7.598 1.00 0.00 C ATOM 1276 C GLY A 83 -6.186 4.295 6.488 1.00 0.00 C ATOM 1277 O GLY A 83 -6.497 4.046 5.323 1.00 0.00 O ATOM 0 H GLY A 83 -6.452 5.971 8.432 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.254 3.182 7.970 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.200 4.438 7.195 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.958 4.653 6.848 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.881 4.777 5.873 1.00 0.00 C ATOM 1283 C CYS A 84 -2.534 4.443 6.506 1.00 0.00 C ATOM 1284 O CYS A 84 -2.357 4.568 7.718 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.849 6.192 5.294 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.140 6.295 3.634 1.00 0.00 S ATOM 0 H CYS A 84 -4.684 4.862 7.808 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.070 4.067 5.068 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.865 6.586 5.268 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.275 6.834 5.963 1.00 0.00 H new ATOM 0 HG CYS A 84 -3.159 7.530 3.230 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.587 4.016 5.678 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.255 3.661 6.156 1.00 0.00 C ATOM 1294 C LEU A 85 0.823 4.247 5.249 1.00 0.00 C ATOM 1295 O LEU A 85 0.784 4.076 4.031 1.00 0.00 O ATOM 1296 CB LEU A 85 -0.106 2.141 6.229 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.787 1.455 7.414 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.786 -0.054 7.231 1.00 0.00 C ATOM 1299 CD2 LEU A 85 -0.100 1.837 8.718 1.00 0.00 C ATOM 0 H LEU A 85 -1.717 3.907 4.672 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.131 4.080 7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.504 1.713 5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.957 1.901 6.258 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.822 1.793 7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.275 -0.524 8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.324 -0.310 6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.241 -0.411 7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.598 1.340 9.551 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.945 1.528 8.683 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.155 2.917 8.855 1.00 0.00 H new ATOM 1311 N LYS A 86 1.785 4.936 5.852 1.00 0.00 N ATOM 1312 CA LYS A 86 2.877 5.545 5.101 1.00 0.00 C ATOM 1313 C LYS A 86 4.139 4.692 5.189 1.00 0.00 C ATOM 1314 O LYS A 86 4.747 4.574 6.253 1.00 0.00 O ATOM 1315 CB LYS A 86 3.162 6.953 5.627 1.00 0.00 C ATOM 1316 CG LYS A 86 3.874 7.844 4.623 1.00 0.00 C ATOM 1317 CD LYS A 86 4.420 9.100 5.282 1.00 0.00 C ATOM 1318 CE LYS A 86 4.819 10.142 4.249 1.00 0.00 C ATOM 1319 NZ LYS A 86 3.632 10.773 3.609 1.00 0.00 N ATOM 0 H LYS A 86 1.831 5.087 6.860 1.00 0.00 H new ATOM 0 HA LYS A 86 2.575 5.609 4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.221 7.422 5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.769 6.879 6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.691 7.291 4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.183 8.121 3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.667 9.518 5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.284 8.844 5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.426 10.912 4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.439 9.675 3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.455 10.324 2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.800 10.648 4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.811 11.788 3.471 1.00 0.00 H new ATOM 1333 N VAL A 87 4.528 4.102 4.064 1.00 0.00 N ATOM 1334 CA VAL A 87 5.720 3.263 4.013 1.00 0.00 C ATOM 1335 C VAL A 87 6.796 3.889 3.133 1.00 0.00 C ATOM 1336 O VAL A 87 6.582 4.118 1.943 1.00 0.00 O ATOM 1337 CB VAL A 87 5.393 1.855 3.482 1.00 0.00 C ATOM 1338 CG1 VAL A 87 6.651 1.003 3.416 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.335 1.191 4.351 1.00 0.00 C ATOM 0 H VAL A 87 4.035 4.189 3.175 1.00 0.00 H new ATOM 0 HA VAL A 87 6.093 3.181 5.034 1.00 0.00 H new ATOM 0 HB VAL A 87 4.994 1.950 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.400 0.012 3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.374 1.473 2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.082 0.913 4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.116 0.197 3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.704 1.107 5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.426 1.793 4.342 1.00 0.00 H new ATOM 1349 N MET A 88 7.953 4.163 3.726 1.00 0.00 N ATOM 1350 CA MET A 88 9.064 4.761 2.995 1.00 0.00 C ATOM 1351 C MET A 88 9.673 3.760 2.018 1.00 0.00 C ATOM 1352 O MET A 88 9.996 2.631 2.391 1.00 0.00 O ATOM 1353 CB MET A 88 10.134 5.258 3.968 1.00 0.00 C ATOM 1354 CG MET A 88 9.827 6.622 4.564 1.00 0.00 C ATOM 1355 SD MET A 88 10.106 7.968 3.397 1.00 0.00 S ATOM 1356 CE MET A 88 10.433 9.326 4.518 1.00 0.00 C ATOM 0 H MET A 88 8.146 3.980 4.711 1.00 0.00 H new ATOM 0 HA MET A 88 8.679 5.608 2.427 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.244 4.534 4.776 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.092 5.304 3.449 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.789 6.644 4.897 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.448 6.777 5.446 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.625 10.233 3.945 1.00 0.00 H new ATOM 0 HE2 MET A 88 9.569 9.481 5.164 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.305 9.092 5.129 1.00 0.00 H new ATOM 1366 N LEU A 89 9.828 4.180 0.768 1.00 0.00 N ATOM 1367 CA LEU A 89 10.399 3.320 -0.263 1.00 0.00 C ATOM 1368 C LEU A 89 11.916 3.238 -0.125 1.00 0.00 C ATOM 1369 O LEU A 89 12.616 4.244 -0.240 1.00 0.00 O ATOM 1370 CB LEU A 89 10.029 3.842 -1.653 1.00 0.00 C ATOM 1371 CG LEU A 89 8.536 3.890 -1.976 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.310 4.449 -3.372 1.00 0.00 C ATOM 1373 CD2 LEU A 89 7.917 2.506 -1.847 1.00 0.00 C ATOM 0 H LEU A 89 9.566 5.111 0.443 1.00 0.00 H new ATOM 0 HA LEU A 89 9.987 2.319 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.436 4.847 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.521 3.216 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 89 8.050 4.551 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.241 4.476 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.717 5.459 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.810 3.814 -4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.854 2.560 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.407 1.822 -2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.046 2.143 -0.827 1.00 0.00 H new