USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 619 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 71 LYS NZ :NH3+ -164:sc= -0.0293 (180deg=0) USER MOD Set 1.2: A 95 GLN : amide:sc= -0.829 X(o=-0.86,f=-0.63) USER MOD Single : A 20 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=-0.017) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -60:sc= 0.992 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.4) USER MOD Single : A 37 HIS : no HD1:sc= -0.885 X(o=-0.89,f=-0.67) USER MOD Single : A 41 ASN : amide:sc= -0.364 X(o=-0.36,f=-0.1) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 45 HIS : no HE2:sc= -0.403 K(o=-0.4,f=-2.2!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc= -0.559 (180deg=-0.795) USER MOD Single : A 57 CYS SG : rot -32:sc= 0.884 USER MOD Single : A 60 HIS : no HE2:sc= -0.13 K(o=-0.13,f=-0.83) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 85 GLN : amide:sc= -0.885 X(o=-0.89,f=-1.4) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= -0.0752 (180deg=-0.682) USER MOD Single : A 88 MET CE :methyl 172:sc= 0 (180deg=-0.116) USER MOD Single : A 90 HIS : no HE2:sc= 0.786 K(o=0.79,f=-4.1!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.991 X(o=-0.99,f=-0.76) USER MOD Single : A 101 ASN : amide:sc= -0.04 K(o=-0.04,f=-1.1) USER MOD Single : A 102 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.092) USER MOD ----------------------------------------------------------------- ATOM 108 N HIS A 20 13.174 -1.976 -6.856 1.00 0.00 N ATOM 109 CA HIS A 20 13.177 -0.535 -7.146 1.00 0.00 C ATOM 110 C HIS A 20 11.842 0.097 -6.733 1.00 0.00 C ATOM 111 O HIS A 20 11.759 1.304 -6.520 1.00 0.00 O ATOM 112 CB HIS A 20 13.436 -0.299 -8.659 1.00 0.00 C ATOM 113 CG HIS A 20 13.591 1.182 -8.934 1.00 0.00 C ATOM 114 ND1 HIS A 20 12.577 1.943 -9.493 1.00 0.00 N ATOM 115 CD2 HIS A 20 14.620 2.051 -8.681 1.00 0.00 C ATOM 116 CE1 HIS A 20 13.014 3.214 -9.553 1.00 0.00 C ATOM 117 NE2 HIS A 20 14.254 3.334 -9.072 1.00 0.00 N ATOM 0 HA HIS A 20 13.975 -0.064 -6.572 1.00 0.00 H new ATOM 0 HB2 HIS A 20 14.335 -0.831 -8.970 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.610 -0.701 -9.245 1.00 0.00 H new ATOM 0 HD2 HIS A 20 15.570 1.781 -8.245 1.00 0.00 H new ATOM 0 HE1 HIS A 20 12.433 4.037 -9.943 1.00 0.00 H new ATOM 0 HE2 HIS A 20 14.813 4.185 -9.006 1.00 0.00 H new ATOM 125 N MET A 21 10.801 -0.738 -6.629 1.00 0.00 N ATOM 126 CA MET A 21 9.459 -0.271 -6.251 1.00 0.00 C ATOM 127 C MET A 21 9.497 0.358 -4.859 1.00 0.00 C ATOM 128 O MET A 21 8.767 1.304 -4.588 1.00 0.00 O ATOM 129 CB MET A 21 8.466 -1.455 -6.280 1.00 0.00 C ATOM 130 CG MET A 21 8.346 -2.018 -7.714 1.00 0.00 C ATOM 131 SD MET A 21 7.161 -3.383 -7.723 1.00 0.00 S ATOM 132 CE MET A 21 7.184 -3.668 -9.505 1.00 0.00 C ATOM 0 H MET A 21 10.861 -1.742 -6.801 1.00 0.00 H new ATOM 0 HA MET A 21 9.128 0.484 -6.964 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.803 -2.238 -5.601 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.488 -1.127 -5.927 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.021 -1.235 -8.399 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.319 -2.363 -8.064 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.509 -4.488 -9.751 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.861 -2.764 -10.022 1.00 0.00 H new ATOM 0 HE3 MET A 21 8.196 -3.924 -9.819 1.00 0.00 H new ATOM 142 N ALA A 22 10.350 -0.182 -3.981 1.00 0.00 N ATOM 143 CA ALA A 22 10.485 0.331 -2.608 1.00 0.00 C ATOM 144 C ALA A 22 10.625 1.860 -2.618 1.00 0.00 C ATOM 145 O ALA A 22 10.096 2.546 -1.754 1.00 0.00 O ATOM 146 CB ALA A 22 11.721 -0.302 -1.935 1.00 0.00 C ATOM 0 H ALA A 22 10.958 -0.973 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 22 9.590 0.066 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.818 0.080 -0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.604 -1.385 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.615 -0.049 -2.505 1.00 0.00 H new ATOM 152 N SER A 23 11.346 2.384 -3.617 1.00 0.00 N ATOM 153 CA SER A 23 11.550 3.830 -3.744 1.00 0.00 C ATOM 154 C SER A 23 10.208 4.546 -3.891 1.00 0.00 C ATOM 155 O SER A 23 9.993 5.587 -3.286 1.00 0.00 O ATOM 156 CB SER A 23 12.412 4.127 -4.987 1.00 0.00 C ATOM 157 OG SER A 23 11.680 3.791 -6.162 1.00 0.00 O ATOM 0 H SER A 23 11.796 1.830 -4.346 1.00 0.00 H new ATOM 0 HA SER A 23 12.054 4.188 -2.846 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.690 5.181 -5.007 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.338 3.554 -4.946 1.00 0.00 H new ATOM 0 HG SER A 23 11.452 2.838 -6.144 1.00 0.00 H new ATOM 163 N LYS A 24 9.305 3.959 -4.694 1.00 0.00 N ATOM 164 CA LYS A 24 7.971 4.540 -4.932 1.00 0.00 C ATOM 165 C LYS A 24 7.202 4.619 -3.632 1.00 0.00 C ATOM 166 O LYS A 24 6.510 5.603 -3.365 1.00 0.00 O ATOM 167 CB LYS A 24 7.178 3.672 -5.946 1.00 0.00 C ATOM 168 CG LYS A 24 7.943 3.616 -7.289 1.00 0.00 C ATOM 169 CD LYS A 24 7.187 2.730 -8.313 1.00 0.00 C ATOM 170 CE LYS A 24 7.951 2.697 -9.652 1.00 0.00 C ATOM 171 NZ LYS A 24 7.207 1.833 -10.600 1.00 0.00 N ATOM 0 H LYS A 24 9.473 3.083 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 24 8.098 5.542 -5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.042 2.665 -5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.183 4.091 -6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.060 4.623 -7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.945 3.219 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.080 1.718 -7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.181 3.119 -8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.050 3.704 -10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.960 2.313 -9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.711 1.801 -11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.135 0.872 -10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.253 2.220 -10.747 1.00 0.00 H new ATOM 185 N ARG A 25 7.324 3.561 -2.824 1.00 0.00 N ATOM 186 CA ARG A 25 6.627 3.515 -1.544 1.00 0.00 C ATOM 187 C ARG A 25 7.093 4.668 -0.655 1.00 0.00 C ATOM 188 O ARG A 25 6.280 5.389 -0.067 1.00 0.00 O ATOM 189 CB ARG A 25 6.900 2.151 -0.831 1.00 0.00 C ATOM 190 CG ARG A 25 6.293 2.098 0.616 1.00 0.00 C ATOM 191 CD ARG A 25 4.782 2.409 0.588 1.00 0.00 C ATOM 192 NE ARG A 25 4.172 2.042 1.877 1.00 0.00 N ATOM 193 CZ ARG A 25 3.340 2.842 2.568 1.00 0.00 C ATOM 194 NH1 ARG A 25 3.045 4.051 2.152 1.00 0.00 N ATOM 195 NH2 ARG A 25 2.823 2.404 3.673 1.00 0.00 N ATOM 0 H ARG A 25 7.891 2.739 -3.033 1.00 0.00 H new ATOM 0 HA ARG A 25 5.556 3.612 -1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.479 1.342 -1.428 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.975 1.982 -0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.458 1.111 1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.805 2.816 1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.623 3.469 0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.303 1.858 -0.221 1.00 0.00 H new ATOM 0 HE ARG A 25 4.393 1.127 2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.450 4.405 1.285 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.411 4.637 2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.049 1.467 4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.190 2.997 4.210 1.00 0.00 H new ATOM 209 N ASP A 26 8.417 4.819 -0.560 1.00 0.00 N ATOM 210 CA ASP A 26 9.020 5.865 0.264 1.00 0.00 C ATOM 211 C ASP A 26 8.740 7.230 -0.334 1.00 0.00 C ATOM 212 O ASP A 26 8.570 8.207 0.388 1.00 0.00 O ATOM 213 CB ASP A 26 10.547 5.640 0.371 1.00 0.00 C ATOM 214 CG ASP A 26 10.828 4.296 1.053 1.00 0.00 C ATOM 215 OD1 ASP A 26 10.252 3.313 0.625 1.00 0.00 O ATOM 216 OD2 ASP A 26 11.604 4.274 1.995 1.00 0.00 O ATOM 0 H ASP A 26 9.091 4.228 -1.046 1.00 0.00 H new ATOM 0 HA ASP A 26 8.583 5.821 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.996 5.655 -0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.004 6.449 0.940 1.00 0.00 H new ATOM 221 N LYS A 27 8.710 7.293 -1.666 1.00 0.00 N ATOM 222 CA LYS A 27 8.483 8.560 -2.366 1.00 0.00 C ATOM 223 C LYS A 27 7.206 9.248 -1.874 1.00 0.00 C ATOM 224 O LYS A 27 7.242 10.377 -1.403 1.00 0.00 O ATOM 225 CB LYS A 27 8.374 8.294 -3.894 1.00 0.00 C ATOM 226 CG LYS A 27 8.416 9.623 -4.696 1.00 0.00 C ATOM 227 CD LYS A 27 8.184 9.387 -6.214 1.00 0.00 C ATOM 228 CE LYS A 27 9.329 8.568 -6.858 1.00 0.00 C ATOM 229 NZ LYS A 27 9.194 8.652 -8.333 1.00 0.00 N ATOM 0 H LYS A 27 8.839 6.488 -2.279 1.00 0.00 H new ATOM 0 HA LYS A 27 9.325 9.220 -2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.191 7.647 -4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.446 7.765 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.655 10.303 -4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.381 10.108 -4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.239 8.864 -6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.097 10.348 -6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.297 8.958 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.282 7.529 -6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.957 8.106 -8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.273 8.262 -8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.257 9.646 -8.631 1.00 0.00 H new ATOM 243 N ILE A 28 6.076 8.542 -1.997 1.00 0.00 N ATOM 244 CA ILE A 28 4.779 9.089 -1.583 1.00 0.00 C ATOM 245 C ILE A 28 4.776 9.356 -0.080 1.00 0.00 C ATOM 246 O ILE A 28 4.297 10.393 0.377 1.00 0.00 O ATOM 247 CB ILE A 28 3.631 8.096 -1.947 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.691 7.753 -3.476 1.00 0.00 C ATOM 249 CG2 ILE A 28 2.245 8.729 -1.599 1.00 0.00 C ATOM 250 CD1 ILE A 28 2.718 6.613 -3.823 1.00 0.00 C ATOM 0 H ILE A 28 6.033 7.597 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 28 4.614 10.028 -2.111 1.00 0.00 H new ATOM 0 HB ILE A 28 3.757 7.180 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.443 8.639 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.706 7.465 -3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.450 8.029 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.203 8.949 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.114 9.651 -2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.779 6.394 -4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.984 5.722 -3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.701 6.914 -3.572 1.00 0.00 H new ATOM 262 N ALA A 29 5.293 8.387 0.681 1.00 0.00 N ATOM 263 CA ALA A 29 5.326 8.489 2.146 1.00 0.00 C ATOM 264 C ALA A 29 6.003 9.790 2.587 1.00 0.00 C ATOM 265 O ALA A 29 5.660 10.364 3.618 1.00 0.00 O ATOM 266 CB ALA A 29 6.080 7.278 2.738 1.00 0.00 C ATOM 0 H ALA A 29 5.693 7.525 0.310 1.00 0.00 H new ATOM 0 HA ALA A 29 4.300 8.494 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.102 7.359 3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.571 6.357 2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.100 7.262 2.355 1.00 0.00 H new ATOM 272 N ASP A 30 6.980 10.236 1.787 1.00 0.00 N ATOM 273 CA ASP A 30 7.735 11.463 2.074 1.00 0.00 C ATOM 274 C ASP A 30 7.003 12.714 1.557 1.00 0.00 C ATOM 275 O ASP A 30 7.000 13.747 2.218 1.00 0.00 O ATOM 276 CB ASP A 30 9.130 11.360 1.410 1.00 0.00 C ATOM 277 CG ASP A 30 9.869 10.107 1.879 1.00 0.00 C ATOM 278 OD1 ASP A 30 9.686 9.722 3.023 1.00 0.00 O ATOM 279 OD2 ASP A 30 10.614 9.549 1.087 1.00 0.00 O ATOM 0 H ASP A 30 7.268 9.762 0.931 1.00 0.00 H new ATOM 0 HA ASP A 30 7.835 11.563 3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.020 11.337 0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.718 12.245 1.652 1.00 0.00 H new ATOM 284 N ILE A 31 6.378 12.598 0.380 1.00 0.00 N ATOM 285 CA ILE A 31 5.630 13.719 -0.233 1.00 0.00 C ATOM 286 C ILE A 31 4.374 14.030 0.555 1.00 0.00 C ATOM 287 O ILE A 31 4.003 15.196 0.710 1.00 0.00 O ATOM 288 CB ILE A 31 5.245 13.383 -1.715 1.00 0.00 C ATOM 289 CG1 ILE A 31 6.539 13.310 -2.587 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.266 14.466 -2.323 1.00 0.00 C ATOM 291 CD1 ILE A 31 6.249 12.716 -3.977 1.00 0.00 C ATOM 0 H ILE A 31 6.371 11.741 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 31 6.280 14.594 -0.220 1.00 0.00 H new ATOM 0 HB ILE A 31 4.732 12.421 -1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.961 14.309 -2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.288 12.702 -2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.022 14.199 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.352 14.503 -1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.749 15.443 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.171 12.680 -4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.851 11.708 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.519 13.339 -4.494 1.00 0.00 H new ATOM 303 N GLN A 32 3.680 12.980 1.002 1.00 0.00 N ATOM 304 CA GLN A 32 2.410 13.159 1.715 1.00 0.00 C ATOM 305 C GLN A 32 2.605 13.992 2.965 1.00 0.00 C ATOM 306 O GLN A 32 2.030 15.061 3.086 1.00 0.00 O ATOM 307 CB GLN A 32 1.818 11.749 2.092 1.00 0.00 C ATOM 308 CG GLN A 32 0.933 11.180 0.942 1.00 0.00 C ATOM 309 CD GLN A 32 -0.412 11.917 0.884 1.00 0.00 C ATOM 310 OE1 GLN A 32 -1.071 12.077 1.911 1.00 0.00 O ATOM 311 NE2 GLN A 32 -0.858 12.372 -0.253 1.00 0.00 N ATOM 0 H GLN A 32 3.970 12.009 0.886 1.00 0.00 H new ATOM 0 HA GLN A 32 1.713 13.686 1.063 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.632 11.056 2.304 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.225 11.833 3.003 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.453 11.284 -0.010 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.764 10.115 1.098 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.312 12.240 -1.105 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.753 12.860 -0.291 1.00 0.00 H new ATOM 320 N GLU A 33 3.453 13.510 3.870 1.00 0.00 N ATOM 321 CA GLU A 33 3.726 14.217 5.123 1.00 0.00 C ATOM 322 C GLU A 33 4.310 15.582 4.843 1.00 0.00 C ATOM 323 O GLU A 33 3.785 16.579 5.323 1.00 0.00 O ATOM 324 CB GLU A 33 4.705 13.387 5.986 1.00 0.00 C ATOM 325 CG GLU A 33 4.108 11.989 6.304 1.00 0.00 C ATOM 326 CD GLU A 33 2.834 12.113 7.157 1.00 0.00 C ATOM 327 OE1 GLU A 33 2.886 12.808 8.160 1.00 0.00 O ATOM 328 OE2 GLU A 33 1.827 11.525 6.789 1.00 0.00 O ATOM 0 H GLU A 33 3.964 12.634 3.761 1.00 0.00 H new ATOM 0 HA GLU A 33 2.790 14.347 5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.653 13.272 5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.918 13.917 6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.878 11.468 5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.846 11.386 6.833 1.00 0.00 H new ATOM 335 N ALA A 34 5.441 15.618 4.119 1.00 0.00 N ATOM 336 CA ALA A 34 6.139 16.877 3.866 1.00 0.00 C ATOM 337 C ALA A 34 5.147 17.964 3.504 1.00 0.00 C ATOM 338 O ALA A 34 5.047 18.921 4.236 1.00 0.00 O ATOM 339 CB ALA A 34 7.144 16.701 2.709 1.00 0.00 C ATOM 0 H ALA A 34 5.883 14.797 3.705 1.00 0.00 H new ATOM 0 HA ALA A 34 6.673 17.164 4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.659 17.644 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.873 15.935 2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.611 16.400 1.807 1.00 0.00 H new ATOM 345 N LEU A 35 4.391 17.766 2.421 1.00 0.00 N ATOM 346 CA LEU A 35 3.377 18.742 2.011 1.00 0.00 C ATOM 347 C LEU A 35 2.219 18.818 3.028 1.00 0.00 C ATOM 348 O LEU A 35 1.893 19.893 3.533 1.00 0.00 O ATOM 349 CB LEU A 35 2.814 18.314 0.633 1.00 0.00 C ATOM 350 CG LEU A 35 1.555 19.163 0.213 1.00 0.00 C ATOM 351 CD1 LEU A 35 1.905 20.688 0.146 1.00 0.00 C ATOM 352 CD2 LEU A 35 0.979 18.633 -1.127 1.00 0.00 C ATOM 0 H LEU A 35 4.460 16.947 1.817 1.00 0.00 H new ATOM 0 HA LEU A 35 3.842 19.726 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.591 18.421 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.544 17.259 0.665 1.00 0.00 H new ATOM 0 HG LEU A 35 0.781 19.052 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.019 21.252 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.245 21.027 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.695 20.848 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.109 19.226 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.738 18.710 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.684 17.590 -1.009 1.00 0.00 H new ATOM 364 N ALA A 36 1.533 17.679 3.248 1.00 0.00 N ATOM 365 CA ALA A 36 0.341 17.657 4.135 1.00 0.00 C ATOM 366 C ALA A 36 0.667 18.346 5.453 1.00 0.00 C ATOM 367 O ALA A 36 0.048 19.342 5.834 1.00 0.00 O ATOM 368 CB ALA A 36 -0.131 16.208 4.395 1.00 0.00 C ATOM 0 H ALA A 36 1.773 16.777 2.836 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.468 18.192 3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.004 16.221 5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.392 15.735 3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.670 15.645 4.873 1.00 0.00 H new ATOM 374 N HIS A 37 1.685 17.809 6.116 1.00 0.00 N ATOM 375 CA HIS A 37 2.177 18.351 7.374 1.00 0.00 C ATOM 376 C HIS A 37 3.004 19.616 7.099 1.00 0.00 C ATOM 377 O HIS A 37 3.839 19.977 7.931 1.00 0.00 O ATOM 378 CB HIS A 37 3.055 17.295 8.115 1.00 0.00 C ATOM 379 CG HIS A 37 3.345 17.761 9.521 1.00 0.00 C ATOM 380 ND1 HIS A 37 2.344 17.884 10.462 1.00 0.00 N ATOM 381 CD2 HIS A 37 4.495 18.198 10.131 1.00 0.00 C ATOM 382 CE1 HIS A 37 2.896 18.384 11.578 1.00 0.00 C ATOM 383 NE2 HIS A 37 4.208 18.594 11.431 1.00 0.00 N ATOM 0 H HIS A 37 2.192 16.984 5.795 1.00 0.00 H new ATOM 0 HA HIS A 37 1.327 18.602 8.008 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.540 16.335 8.140 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.989 17.142 7.574 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.472 18.229 9.671 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.347 18.592 12.485 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.858 18.965 12.124 1.00 0.00 H new ATOM 391 N ALA A 38 2.777 20.308 5.941 1.00 0.00 N ATOM 392 CA ALA A 38 3.538 21.550 5.638 1.00 0.00 C ATOM 393 C ALA A 38 2.665 22.765 5.798 1.00 0.00 C ATOM 394 O ALA A 38 3.025 23.629 6.591 1.00 0.00 O ATOM 395 CB ALA A 38 4.066 21.575 4.157 1.00 0.00 C ATOM 0 H ALA A 38 2.099 20.036 5.230 1.00 0.00 H new ATOM 0 HA ALA A 38 4.374 21.563 6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.615 22.500 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.727 20.724 3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.222 21.518 3.469 1.00 0.00 H new ATOM 401 N ASP A 39 1.505 22.796 5.044 1.00 0.00 N ATOM 402 CA ASP A 39 0.518 23.940 5.027 1.00 0.00 C ATOM 403 C ASP A 39 1.059 25.155 5.811 1.00 0.00 C ATOM 404 O ASP A 39 0.377 25.733 6.658 1.00 0.00 O ATOM 405 CB ASP A 39 -0.854 23.491 5.601 1.00 0.00 C ATOM 406 CG ASP A 39 -1.431 22.324 4.792 1.00 0.00 C ATOM 407 OD1 ASP A 39 -1.362 22.383 3.576 1.00 0.00 O ATOM 408 OD2 ASP A 39 -1.943 21.395 5.400 1.00 0.00 O ATOM 0 H ASP A 39 1.232 22.027 4.432 1.00 0.00 H new ATOM 0 HA ASP A 39 0.377 24.243 3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.737 23.193 6.643 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.551 24.329 5.585 1.00 0.00 H new ATOM 413 N ALA A 40 2.351 25.445 5.574 1.00 0.00 N ATOM 414 CA ALA A 40 3.075 26.474 6.308 1.00 0.00 C ATOM 415 C ALA A 40 2.461 27.823 6.067 1.00 0.00 C ATOM 416 O ALA A 40 2.134 28.544 7.015 1.00 0.00 O ATOM 417 CB ALA A 40 4.569 26.473 5.882 1.00 0.00 C ATOM 0 H ALA A 40 2.913 24.969 4.868 1.00 0.00 H new ATOM 0 HA ALA A 40 3.012 26.257 7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.105 27.245 6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.009 25.499 6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.643 26.674 4.813 1.00 0.00 H new ATOM 423 N ASN A 41 2.311 28.166 4.787 1.00 0.00 N ATOM 424 CA ASN A 41 1.743 29.458 4.436 1.00 0.00 C ATOM 425 C ASN A 41 0.221 29.387 4.486 1.00 0.00 C ATOM 426 O ASN A 41 -0.438 30.424 4.538 1.00 0.00 O ATOM 427 CB ASN A 41 2.221 29.819 3.011 1.00 0.00 C ATOM 428 CG ASN A 41 3.750 29.772 2.944 1.00 0.00 C ATOM 429 OD1 ASN A 41 4.423 30.339 3.806 1.00 0.00 O ATOM 430 ND2 ASN A 41 4.338 29.121 1.976 1.00 0.00 N ATOM 0 H ASN A 41 2.570 27.578 3.995 1.00 0.00 H new ATOM 0 HA ASN A 41 2.068 30.222 5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.796 29.123 2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.867 30.814 2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.356 29.081 1.933 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.779 28.652 1.263 1.00 0.00 H new ATOM 437 N ALA A 42 -0.345 28.159 4.478 1.00 0.00 N ATOM 438 CA ALA A 42 -1.811 27.980 4.526 1.00 0.00 C ATOM 439 C ALA A 42 -2.522 28.914 3.516 1.00 0.00 C ATOM 440 O ALA A 42 -3.363 29.731 3.900 1.00 0.00 O ATOM 441 CB ALA A 42 -2.289 28.270 5.966 1.00 0.00 C ATOM 0 H ALA A 42 0.185 27.288 4.439 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.062 26.956 4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.370 28.143 6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.806 27.578 6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.029 29.293 6.237 1.00 0.00 H new ATOM 447 N ASP A 43 -2.166 28.786 2.222 1.00 0.00 N ATOM 448 CA ASP A 43 -2.753 29.625 1.140 1.00 0.00 C ATOM 449 C ASP A 43 -3.733 28.816 0.304 1.00 0.00 C ATOM 450 O ASP A 43 -4.425 29.373 -0.542 1.00 0.00 O ATOM 451 CB ASP A 43 -1.617 30.177 0.247 1.00 0.00 C ATOM 452 CG ASP A 43 -0.626 30.995 1.084 1.00 0.00 C ATOM 453 OD1 ASP A 43 -1.037 31.555 2.093 1.00 0.00 O ATOM 454 OD2 ASP A 43 0.525 31.053 0.697 1.00 0.00 O ATOM 0 H ASP A 43 -1.475 28.111 1.894 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.297 30.455 1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.097 29.353 -0.241 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.037 30.800 -0.542 1.00 0.00 H new ATOM 459 N GLN A 44 -3.754 27.505 0.539 1.00 0.00 N ATOM 460 CA GLN A 44 -4.622 26.562 -0.171 1.00 0.00 C ATOM 461 C GLN A 44 -4.275 26.501 -1.662 1.00 0.00 C ATOM 462 O GLN A 44 -4.963 25.825 -2.430 1.00 0.00 O ATOM 463 CB GLN A 44 -6.114 26.966 0.007 1.00 0.00 C ATOM 464 CG GLN A 44 -6.468 27.077 1.511 1.00 0.00 C ATOM 465 CD GLN A 44 -7.922 27.526 1.702 1.00 0.00 C ATOM 466 OE1 GLN A 44 -8.674 27.676 0.735 1.00 0.00 O ATOM 467 NE2 GLN A 44 -8.355 27.755 2.906 1.00 0.00 N ATOM 0 H GLN A 44 -3.160 27.060 1.238 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.462 25.573 0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.301 27.919 -0.488 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.757 26.227 -0.471 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.315 26.113 1.996 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.798 27.788 1.994 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.732 27.631 3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.318 28.059 3.053 1.00 0.00 H new ATOM 476 N HIS A 45 -3.204 27.200 -2.055 1.00 0.00 N ATOM 477 CA HIS A 45 -2.724 27.229 -3.454 1.00 0.00 C ATOM 478 C HIS A 45 -1.257 26.858 -3.436 1.00 0.00 C ATOM 479 O HIS A 45 -0.516 27.317 -2.563 1.00 0.00 O ATOM 480 CB HIS A 45 -2.914 28.635 -4.059 1.00 0.00 C ATOM 481 CG HIS A 45 -4.375 28.984 -4.047 1.00 0.00 C ATOM 482 ND1 HIS A 45 -4.916 29.861 -3.125 1.00 0.00 N ATOM 483 CD2 HIS A 45 -5.419 28.563 -4.828 1.00 0.00 C ATOM 484 CE1 HIS A 45 -6.232 29.942 -3.371 1.00 0.00 C ATOM 485 NE2 HIS A 45 -6.592 29.170 -4.401 1.00 0.00 N ATOM 0 H HIS A 45 -2.641 27.763 -1.418 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.290 26.528 -4.067 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.348 29.370 -3.487 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.530 28.660 -5.079 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -4.407 30.356 -2.392 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.341 27.866 -5.649 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.917 30.556 -2.806 1.00 0.00 H new ATOM 493 N LEU A 46 -0.846 26.008 -4.387 1.00 0.00 N ATOM 494 CA LEU A 46 0.541 25.529 -4.467 1.00 0.00 C ATOM 495 C LEU A 46 1.217 25.997 -5.738 1.00 0.00 C ATOM 496 O LEU A 46 1.306 25.268 -6.728 1.00 0.00 O ATOM 497 CB LEU A 46 0.552 23.954 -4.377 1.00 0.00 C ATOM 498 CG LEU A 46 0.617 23.451 -2.886 1.00 0.00 C ATOM 499 CD1 LEU A 46 2.001 23.813 -2.214 1.00 0.00 C ATOM 500 CD2 LEU A 46 -0.590 24.017 -2.050 1.00 0.00 C ATOM 0 H LEU A 46 -1.457 25.637 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 46 1.104 25.946 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.343 23.557 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.408 23.565 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 46 0.536 22.364 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.012 23.451 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.811 23.343 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.136 24.895 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.523 23.656 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.556 25.106 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.528 23.681 -2.492 1.00 0.00 H new ATOM 512 N ASP A 47 1.742 27.229 -5.681 1.00 0.00 N ATOM 513 CA ASP A 47 2.474 27.794 -6.795 1.00 0.00 C ATOM 514 C ASP A 47 3.714 26.930 -7.018 1.00 0.00 C ATOM 515 O ASP A 47 4.140 26.217 -6.106 1.00 0.00 O ATOM 516 CB ASP A 47 2.879 29.250 -6.476 1.00 0.00 C ATOM 517 CG ASP A 47 3.566 29.888 -7.692 1.00 0.00 C ATOM 518 OD1 ASP A 47 2.915 29.990 -8.718 1.00 0.00 O ATOM 519 OD2 ASP A 47 4.730 30.241 -7.585 1.00 0.00 O ATOM 0 H ASP A 47 1.667 27.844 -4.870 1.00 0.00 H new ATOM 0 HA ASP A 47 1.858 27.808 -7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.997 29.829 -6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.551 29.269 -5.618 1.00 0.00 H new ATOM 524 N PHE A 48 4.248 26.972 -8.230 1.00 0.00 N ATOM 525 CA PHE A 48 5.411 26.169 -8.595 1.00 0.00 C ATOM 526 C PHE A 48 6.522 26.238 -7.532 1.00 0.00 C ATOM 527 O PHE A 48 7.120 25.220 -7.208 1.00 0.00 O ATOM 528 CB PHE A 48 5.957 26.665 -9.957 1.00 0.00 C ATOM 529 CG PHE A 48 7.136 25.779 -10.398 1.00 0.00 C ATOM 530 CD1 PHE A 48 6.877 24.481 -10.861 1.00 0.00 C ATOM 531 CD2 PHE A 48 8.473 26.238 -10.328 1.00 0.00 C ATOM 532 CE1 PHE A 48 7.932 23.646 -11.250 1.00 0.00 C ATOM 533 CE2 PHE A 48 9.524 25.396 -10.718 1.00 0.00 C ATOM 534 CZ PHE A 48 9.255 24.103 -11.178 1.00 0.00 C ATOM 0 H PHE A 48 3.892 27.558 -8.985 1.00 0.00 H new ATOM 0 HA PHE A 48 5.095 25.128 -8.665 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.168 26.637 -10.708 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.281 27.703 -9.874 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.859 24.124 -10.918 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.684 27.236 -9.974 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.726 22.648 -11.606 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.544 25.747 -10.663 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.067 23.457 -11.478 1.00 0.00 H new ATOM 544 N ASP A 49 6.798 27.441 -7.018 1.00 0.00 N ATOM 545 CA ASP A 49 7.854 27.631 -6.017 1.00 0.00 C ATOM 546 C ASP A 49 7.657 26.698 -4.818 1.00 0.00 C ATOM 547 O ASP A 49 8.548 25.929 -4.465 1.00 0.00 O ATOM 548 CB ASP A 49 7.825 29.102 -5.540 1.00 0.00 C ATOM 549 CG ASP A 49 7.997 30.048 -6.734 1.00 0.00 C ATOM 550 OD1 ASP A 49 8.950 29.862 -7.472 1.00 0.00 O ATOM 551 OD2 ASP A 49 7.177 30.942 -6.892 1.00 0.00 O ATOM 0 H ASP A 49 6.306 28.296 -7.278 1.00 0.00 H new ATOM 0 HA ASP A 49 8.816 27.395 -6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.882 29.310 -5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.620 29.272 -4.814 1.00 0.00 H new ATOM 556 N GLU A 50 6.476 26.780 -4.207 1.00 0.00 N ATOM 557 CA GLU A 50 6.154 25.953 -3.040 1.00 0.00 C ATOM 558 C GLU A 50 6.304 24.474 -3.383 1.00 0.00 C ATOM 559 O GLU A 50 6.936 23.725 -2.648 1.00 0.00 O ATOM 560 CB GLU A 50 4.698 26.243 -2.579 1.00 0.00 C ATOM 561 CG GLU A 50 4.529 27.734 -2.181 1.00 0.00 C ATOM 562 CD GLU A 50 5.388 28.079 -0.956 1.00 0.00 C ATOM 563 OE1 GLU A 50 5.261 27.388 0.042 1.00 0.00 O ATOM 564 OE2 GLU A 50 6.169 29.017 -1.037 1.00 0.00 O ATOM 0 H GLU A 50 5.727 27.408 -4.498 1.00 0.00 H new ATOM 0 HA GLU A 50 6.844 26.197 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.002 25.996 -3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.447 25.606 -1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.812 28.372 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.481 27.939 -1.964 1.00 0.00 H new ATOM 571 N TRP A 51 5.732 24.066 -4.519 1.00 0.00 N ATOM 572 CA TRP A 51 5.810 22.669 -4.951 1.00 0.00 C ATOM 573 C TRP A 51 7.268 22.259 -5.159 1.00 0.00 C ATOM 574 O TRP A 51 7.743 21.275 -4.584 1.00 0.00 O ATOM 575 CB TRP A 51 5.023 22.494 -6.267 1.00 0.00 C ATOM 576 CG TRP A 51 4.896 21.029 -6.586 1.00 0.00 C ATOM 577 CD1 TRP A 51 5.623 20.342 -7.498 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.026 20.065 -5.950 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.216 19.029 -7.495 1.00 0.00 N ATOM 580 CE2 TRP A 51 4.235 18.806 -6.558 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.074 20.153 -4.922 1.00 0.00 C ATOM 582 CZ2 TRP A 51 3.528 17.677 -6.169 1.00 0.00 C ATOM 583 CZ3 TRP A 51 2.367 19.010 -4.533 1.00 0.00 C ATOM 584 CH2 TRP A 51 2.584 17.779 -5.153 1.00 0.00 C ATOM 0 H TRP A 51 5.214 24.677 -5.151 1.00 0.00 H new ATOM 0 HA TRP A 51 5.376 22.033 -4.180 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.034 22.944 -6.174 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.533 23.011 -7.080 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.397 20.758 -8.126 1.00 0.00 H new ATOM 0 HE1 TRP A 51 5.595 18.310 -8.111 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.888 21.098 -4.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.709 16.728 -6.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.640 19.082 -3.738 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.022 16.910 -4.845 1.00 0.00 H new ATOM 595 N ARG A 52 7.949 23.006 -6.027 1.00 0.00 N ATOM 596 CA ARG A 52 9.338 22.718 -6.372 1.00 0.00 C ATOM 597 C ARG A 52 10.205 22.550 -5.121 1.00 0.00 C ATOM 598 O ARG A 52 10.838 21.541 -4.959 1.00 0.00 O ATOM 599 CB ARG A 52 9.939 23.889 -7.219 1.00 0.00 C ATOM 600 CG ARG A 52 11.293 23.466 -7.920 1.00 0.00 C ATOM 601 CD ARG A 52 12.232 24.677 -8.122 1.00 0.00 C ATOM 602 NE ARG A 52 12.752 25.132 -6.822 1.00 0.00 N ATOM 603 CZ ARG A 52 13.519 26.227 -6.714 1.00 0.00 C ATOM 604 NH1 ARG A 52 13.812 26.929 -7.778 1.00 0.00 N ATOM 605 NH2 ARG A 52 13.968 26.596 -5.547 1.00 0.00 N ATOM 0 H ARG A 52 7.558 23.818 -6.505 1.00 0.00 H new ATOM 0 HA ARG A 52 9.339 21.789 -6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.218 24.199 -7.976 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.116 24.751 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.796 22.712 -7.315 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.076 23.008 -8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.058 24.402 -8.778 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.693 25.488 -8.612 1.00 0.00 H new ATOM 0 HE ARG A 52 12.523 24.601 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.457 26.644 -8.691 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.395 27.762 -7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.736 26.052 -4.716 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.551 27.429 -5.465 1.00 0.00 H new ATOM 619 N GLN A 53 10.168 23.551 -4.242 1.00 0.00 N ATOM 620 CA GLN A 53 10.959 23.540 -3.003 1.00 0.00 C ATOM 621 C GLN A 53 10.528 22.427 -2.050 1.00 0.00 C ATOM 622 O GLN A 53 11.371 21.765 -1.426 1.00 0.00 O ATOM 623 CB GLN A 53 10.812 24.907 -2.295 1.00 0.00 C ATOM 624 CG GLN A 53 11.441 26.036 -3.156 1.00 0.00 C ATOM 625 CD GLN A 53 11.260 27.400 -2.489 1.00 0.00 C ATOM 626 OE1 GLN A 53 10.719 27.505 -1.387 1.00 0.00 O ATOM 627 NE2 GLN A 53 11.695 28.459 -3.104 1.00 0.00 N ATOM 0 H GLN A 53 9.596 24.387 -4.363 1.00 0.00 H new ATOM 0 HA GLN A 53 11.998 23.355 -3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.758 25.120 -2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.297 24.872 -1.320 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.503 25.837 -3.303 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.979 26.046 -4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.143 28.371 -4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.589 29.378 -2.674 1.00 0.00 H new ATOM 636 N GLU A 54 9.206 22.240 -1.922 1.00 0.00 N ATOM 637 CA GLU A 54 8.661 21.232 -1.005 1.00 0.00 C ATOM 638 C GLU A 54 9.129 19.830 -1.384 1.00 0.00 C ATOM 639 O GLU A 54 9.701 19.121 -0.562 1.00 0.00 O ATOM 640 CB GLU A 54 7.104 21.281 -1.007 1.00 0.00 C ATOM 641 CG GLU A 54 6.487 20.267 0.007 1.00 0.00 C ATOM 642 CD GLU A 54 6.877 20.644 1.440 1.00 0.00 C ATOM 643 OE1 GLU A 54 6.189 21.472 2.018 1.00 0.00 O ATOM 644 OE2 GLU A 54 7.867 20.123 1.926 1.00 0.00 O ATOM 0 H GLU A 54 8.502 22.768 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 54 9.029 21.461 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.772 22.289 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.735 21.062 -2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.401 20.259 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.835 19.259 -0.219 1.00 0.00 H new ATOM 651 N LEU A 55 8.860 19.444 -2.628 1.00 0.00 N ATOM 652 CA LEU A 55 9.226 18.109 -3.126 1.00 0.00 C ATOM 653 C LEU A 55 10.716 17.987 -3.336 1.00 0.00 C ATOM 654 O LEU A 55 11.264 16.905 -3.297 1.00 0.00 O ATOM 655 CB LEU A 55 8.479 17.796 -4.460 1.00 0.00 C ATOM 656 CG LEU A 55 7.028 17.223 -4.204 1.00 0.00 C ATOM 657 CD1 LEU A 55 6.056 18.345 -3.774 1.00 0.00 C ATOM 658 CD2 LEU A 55 6.514 16.463 -5.460 1.00 0.00 C ATOM 0 H LEU A 55 8.390 20.033 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 55 8.926 17.385 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.410 18.704 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.057 17.075 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 55 7.077 16.509 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.065 17.923 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.416 18.806 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.000 19.099 -4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.514 16.075 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.481 17.145 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.187 15.636 -5.685 1.00 0.00 H new ATOM 670 N LYS A 56 11.372 19.083 -3.614 1.00 0.00 N ATOM 671 CA LYS A 56 12.820 19.055 -3.881 1.00 0.00 C ATOM 672 C LYS A 56 13.603 18.397 -2.752 1.00 0.00 C ATOM 673 O LYS A 56 14.444 17.522 -3.000 1.00 0.00 O ATOM 674 CB LYS A 56 13.318 20.523 -4.051 1.00 0.00 C ATOM 675 CG LYS A 56 13.449 20.916 -5.571 1.00 0.00 C ATOM 676 CD LYS A 56 14.804 20.375 -6.172 1.00 0.00 C ATOM 677 CE LYS A 56 15.848 21.506 -6.223 1.00 0.00 C ATOM 678 NZ LYS A 56 15.923 22.133 -4.873 1.00 0.00 N ATOM 0 H LYS A 56 10.947 20.009 -3.666 1.00 0.00 H new ATOM 0 HA LYS A 56 12.986 18.468 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.624 21.203 -3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.284 20.640 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.608 20.507 -6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.406 22.000 -5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.178 19.551 -5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.635 19.980 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 56 16.822 21.111 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.569 22.248 -6.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.725 22.794 -4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.041 22.649 -4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.055 21.394 -4.154 1.00 0.00 H new ATOM 692 N CYS A 57 13.333 18.831 -1.525 1.00 0.00 N ATOM 693 CA CYS A 57 14.043 18.308 -0.361 1.00 0.00 C ATOM 694 C CYS A 57 13.884 16.785 -0.222 1.00 0.00 C ATOM 695 O CYS A 57 14.537 16.168 0.616 1.00 0.00 O ATOM 696 CB CYS A 57 13.516 19.026 0.901 1.00 0.00 C ATOM 697 SG CYS A 57 14.495 18.533 2.344 1.00 0.00 S ATOM 0 H CYS A 57 12.632 19.540 -1.310 1.00 0.00 H new ATOM 0 HA CYS A 57 15.109 18.500 -0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.571 20.106 0.765 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.467 18.777 1.060 1.00 0.00 H new ATOM 0 HG CYS A 57 14.894 17.304 2.199 1.00 0.00 H new ATOM 703 N ARG A 58 12.998 16.181 -1.047 1.00 0.00 N ATOM 704 CA ARG A 58 12.744 14.722 -1.000 1.00 0.00 C ATOM 705 C ARG A 58 13.738 13.984 -1.898 1.00 0.00 C ATOM 706 O ARG A 58 13.538 12.815 -2.230 1.00 0.00 O ATOM 707 CB ARG A 58 11.265 14.411 -1.421 1.00 0.00 C ATOM 708 CG ARG A 58 10.269 14.721 -0.259 1.00 0.00 C ATOM 709 CD ARG A 58 10.354 16.207 0.218 1.00 0.00 C ATOM 710 NE ARG A 58 11.427 16.384 1.219 1.00 0.00 N ATOM 711 CZ ARG A 58 11.343 15.899 2.467 1.00 0.00 C ATOM 712 NH1 ARG A 58 10.279 15.250 2.849 1.00 0.00 N ATOM 713 NH2 ARG A 58 12.332 16.078 3.301 1.00 0.00 N ATOM 0 H ARG A 58 12.450 16.678 -1.749 1.00 0.00 H new ATOM 0 HA ARG A 58 12.884 14.372 0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.001 15.004 -2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.179 13.363 -1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.252 14.506 -0.588 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.479 14.060 0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.540 16.857 -0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.399 16.510 0.647 1.00 0.00 H new ATOM 0 HE ARG A 58 12.267 16.896 0.950 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.506 15.109 2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.219 14.883 3.799 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.165 16.585 3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.271 15.711 4.251 1.00 0.00 H new ATOM 727 N GLY A 59 14.818 14.671 -2.282 1.00 0.00 N ATOM 728 CA GLY A 59 15.856 14.070 -3.128 1.00 0.00 C ATOM 729 C GLY A 59 15.463 14.111 -4.595 1.00 0.00 C ATOM 730 O GLY A 59 16.055 13.408 -5.413 1.00 0.00 O ATOM 0 H GLY A 59 14.997 15.641 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.797 14.602 -2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.024 13.037 -2.823 1.00 0.00 H new ATOM 734 N HIS A 60 14.458 14.944 -4.929 1.00 0.00 N ATOM 735 CA HIS A 60 13.976 15.092 -6.324 1.00 0.00 C ATOM 736 C HIS A 60 14.545 16.376 -6.904 1.00 0.00 C ATOM 737 O HIS A 60 14.712 17.341 -6.180 1.00 0.00 O ATOM 738 CB HIS A 60 12.427 15.144 -6.346 1.00 0.00 C ATOM 739 CG HIS A 60 11.873 13.942 -5.631 1.00 0.00 C ATOM 740 ND1 HIS A 60 12.570 12.746 -5.539 1.00 0.00 N ATOM 741 CD2 HIS A 60 10.699 13.746 -4.953 1.00 0.00 C ATOM 742 CE1 HIS A 60 11.815 11.894 -4.824 1.00 0.00 C ATOM 743 NE2 HIS A 60 10.665 12.454 -4.443 1.00 0.00 N ATOM 0 H HIS A 60 13.962 15.526 -4.255 1.00 0.00 H new ATOM 0 HA HIS A 60 14.304 14.240 -6.920 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.077 16.058 -5.867 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.068 15.165 -7.375 1.00 0.00 H new ATOM 0 HD1 HIS A 60 13.487 12.549 -5.940 1.00 0.00 H new ATOM 0 HD2 HIS A 60 9.919 14.483 -4.833 1.00 0.00 H new ATOM 0 HE1 HIS A 60 12.104 10.881 -4.587 1.00 0.00 H new ATOM 751 N ALA A 61 14.852 16.378 -8.204 1.00 0.00 N ATOM 752 CA ALA A 61 15.416 17.556 -8.887 1.00 0.00 C ATOM 753 C ALA A 61 14.288 18.383 -9.508 1.00 0.00 C ATOM 754 O ALA A 61 13.184 17.877 -9.747 1.00 0.00 O ATOM 755 CB ALA A 61 16.398 17.084 -9.980 1.00 0.00 C ATOM 0 H ALA A 61 14.719 15.571 -8.813 1.00 0.00 H new ATOM 0 HA ALA A 61 15.949 18.179 -8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.819 17.951 -10.490 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.201 16.506 -9.523 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.868 16.461 -10.701 1.00 0.00 H new ATOM 761 N ASP A 62 14.580 19.657 -9.782 1.00 0.00 N ATOM 762 CA ASP A 62 13.608 20.570 -10.393 1.00 0.00 C ATOM 763 C ASP A 62 13.328 20.153 -11.840 1.00 0.00 C ATOM 764 O ASP A 62 12.313 20.522 -12.400 1.00 0.00 O ATOM 765 CB ASP A 62 14.158 22.012 -10.361 1.00 0.00 C ATOM 766 CG ASP A 62 15.499 22.086 -11.102 1.00 0.00 C ATOM 767 OD1 ASP A 62 16.372 21.297 -10.777 1.00 0.00 O ATOM 768 OD2 ASP A 62 15.631 22.920 -11.985 1.00 0.00 O ATOM 0 H ASP A 62 15.487 20.082 -9.589 1.00 0.00 H new ATOM 0 HA ASP A 62 12.677 20.526 -9.828 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.442 22.692 -10.822 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.287 22.337 -9.328 1.00 0.00 H new ATOM 773 N ALA A 63 14.262 19.419 -12.445 1.00 0.00 N ATOM 774 CA ALA A 63 14.117 18.972 -13.845 1.00 0.00 C ATOM 775 C ALA A 63 13.107 17.821 -13.944 1.00 0.00 C ATOM 776 O ALA A 63 12.210 17.824 -14.791 1.00 0.00 O ATOM 777 CB ALA A 63 15.492 18.506 -14.381 1.00 0.00 C ATOM 0 H ALA A 63 15.127 19.118 -11.996 1.00 0.00 H new ATOM 0 HA ALA A 63 13.751 19.806 -14.444 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.387 18.176 -15.414 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.200 19.334 -14.335 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.859 17.680 -13.772 1.00 0.00 H new ATOM 783 N ASP A 64 13.268 16.836 -13.055 1.00 0.00 N ATOM 784 CA ASP A 64 12.393 15.653 -13.028 1.00 0.00 C ATOM 785 C ASP A 64 10.996 16.015 -12.564 1.00 0.00 C ATOM 786 O ASP A 64 10.032 15.309 -12.866 1.00 0.00 O ATOM 787 CB ASP A 64 12.994 14.572 -12.095 1.00 0.00 C ATOM 788 CG ASP A 64 14.417 14.228 -12.537 1.00 0.00 C ATOM 789 OD1 ASP A 64 14.662 14.217 -13.734 1.00 0.00 O ATOM 790 OD2 ASP A 64 15.243 13.977 -11.674 1.00 0.00 O ATOM 0 H ASP A 64 13.997 16.832 -12.342 1.00 0.00 H new ATOM 0 HA ASP A 64 12.324 15.260 -14.042 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.002 14.932 -11.066 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.372 13.677 -12.115 1.00 0.00 H new ATOM 795 N ILE A 65 10.889 17.102 -11.797 1.00 0.00 N ATOM 796 CA ILE A 65 9.595 17.540 -11.251 1.00 0.00 C ATOM 797 C ILE A 65 8.521 17.650 -12.350 1.00 0.00 C ATOM 798 O ILE A 65 7.319 17.576 -12.087 1.00 0.00 O ATOM 799 CB ILE A 65 9.760 18.929 -10.520 1.00 0.00 C ATOM 800 CG1 ILE A 65 8.683 19.099 -9.373 1.00 0.00 C ATOM 801 CG2 ILE A 65 9.647 20.134 -11.541 1.00 0.00 C ATOM 802 CD1 ILE A 65 9.102 18.390 -8.071 1.00 0.00 C ATOM 0 H ILE A 65 11.677 17.696 -11.539 1.00 0.00 H new ATOM 0 HA ILE A 65 9.265 16.787 -10.535 1.00 0.00 H new ATOM 0 HB ILE A 65 10.755 18.943 -10.075 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.531 20.160 -9.174 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.728 18.698 -9.712 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.765 21.076 -11.006 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.428 20.045 -12.296 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.670 20.111 -12.024 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.332 18.535 -7.314 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.228 17.324 -8.261 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.043 18.809 -7.715 1.00 0.00 H new ATOM 814 N GLU A 66 8.993 17.866 -13.577 1.00 0.00 N ATOM 815 CA GLU A 66 8.107 18.038 -14.730 1.00 0.00 C ATOM 816 C GLU A 66 7.326 16.747 -15.019 1.00 0.00 C ATOM 817 O GLU A 66 6.201 16.779 -15.532 1.00 0.00 O ATOM 818 CB GLU A 66 8.953 18.431 -15.969 1.00 0.00 C ATOM 819 CG GLU A 66 9.734 19.747 -15.702 1.00 0.00 C ATOM 820 CD GLU A 66 10.539 20.159 -16.939 1.00 0.00 C ATOM 821 OE1 GLU A 66 10.033 19.986 -18.037 1.00 0.00 O ATOM 822 OE2 GLU A 66 11.650 20.642 -16.774 1.00 0.00 O ATOM 0 H GLU A 66 9.987 17.926 -13.800 1.00 0.00 H new ATOM 0 HA GLU A 66 7.388 18.826 -14.507 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.652 17.629 -16.208 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.303 18.557 -16.835 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.037 20.541 -15.434 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.405 19.612 -14.854 1.00 0.00 H new ATOM 829 N ALA A 67 7.956 15.615 -14.681 1.00 0.00 N ATOM 830 CA ALA A 67 7.365 14.288 -14.911 1.00 0.00 C ATOM 831 C ALA A 67 6.149 14.046 -14.009 1.00 0.00 C ATOM 832 O ALA A 67 5.062 13.718 -14.488 1.00 0.00 O ATOM 833 CB ALA A 67 8.428 13.193 -14.651 1.00 0.00 C ATOM 0 H ALA A 67 8.878 15.590 -14.246 1.00 0.00 H new ATOM 0 HA ALA A 67 7.030 14.246 -15.947 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.988 12.211 -14.822 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.271 13.336 -15.328 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.775 13.260 -13.620 1.00 0.00 H new ATOM 839 N VAL A 68 6.349 14.211 -12.695 1.00 0.00 N ATOM 840 CA VAL A 68 5.282 14.002 -11.706 1.00 0.00 C ATOM 841 C VAL A 68 4.177 15.033 -11.886 1.00 0.00 C ATOM 842 O VAL A 68 3.053 14.826 -11.448 1.00 0.00 O ATOM 843 CB VAL A 68 5.861 14.077 -10.256 1.00 0.00 C ATOM 844 CG1 VAL A 68 6.893 12.930 -10.041 1.00 0.00 C ATOM 845 CG2 VAL A 68 6.556 15.449 -10.031 1.00 0.00 C ATOM 0 H VAL A 68 7.243 14.490 -12.291 1.00 0.00 H new ATOM 0 HA VAL A 68 4.858 13.010 -11.862 1.00 0.00 H new ATOM 0 HB VAL A 68 5.044 13.968 -9.543 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.294 12.986 -9.029 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.402 11.967 -10.184 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.706 13.033 -10.760 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.956 15.492 -9.018 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.369 15.567 -10.748 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.831 16.251 -10.169 1.00 0.00 H new ATOM 855 N PHE A 69 4.519 16.180 -12.482 1.00 0.00 N ATOM 856 CA PHE A 69 3.543 17.269 -12.669 1.00 0.00 C ATOM 857 C PHE A 69 2.410 16.831 -13.594 1.00 0.00 C ATOM 858 O PHE A 69 1.260 16.709 -13.173 1.00 0.00 O ATOM 859 CB PHE A 69 4.280 18.529 -13.272 1.00 0.00 C ATOM 860 CG PHE A 69 4.108 19.730 -12.335 1.00 0.00 C ATOM 861 CD1 PHE A 69 2.821 20.265 -12.152 1.00 0.00 C ATOM 862 CD2 PHE A 69 5.196 20.283 -11.638 1.00 0.00 C ATOM 863 CE1 PHE A 69 2.623 21.339 -11.285 1.00 0.00 C ATOM 864 CE2 PHE A 69 4.994 21.357 -10.771 1.00 0.00 C ATOM 865 CZ PHE A 69 3.709 21.886 -10.591 1.00 0.00 C ATOM 0 H PHE A 69 5.452 16.381 -12.841 1.00 0.00 H new ATOM 0 HA PHE A 69 3.109 17.525 -11.702 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.339 18.311 -13.408 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.874 18.763 -14.256 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.982 19.842 -12.685 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.187 19.877 -11.774 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.633 21.748 -11.149 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.831 21.782 -10.237 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.556 22.716 -9.917 1.00 0.00 H new ATOM 875 N ALA A 70 2.766 16.578 -14.857 1.00 0.00 N ATOM 876 CA ALA A 70 1.801 16.155 -15.876 1.00 0.00 C ATOM 877 C ALA A 70 1.010 14.936 -15.423 1.00 0.00 C ATOM 878 O ALA A 70 -0.016 14.600 -16.017 1.00 0.00 O ATOM 879 CB ALA A 70 2.533 15.844 -17.204 1.00 0.00 C ATOM 0 H ALA A 70 3.723 16.660 -15.200 1.00 0.00 H new ATOM 0 HA ALA A 70 1.099 16.974 -16.031 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.807 15.531 -17.955 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.052 16.738 -17.551 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.256 15.045 -17.042 1.00 0.00 H new ATOM 885 N LYS A 71 1.530 14.247 -14.392 1.00 0.00 N ATOM 886 CA LYS A 71 0.879 13.021 -13.918 1.00 0.00 C ATOM 887 C LYS A 71 -0.607 13.291 -13.606 1.00 0.00 C ATOM 888 O LYS A 71 -1.483 12.657 -14.191 1.00 0.00 O ATOM 889 CB LYS A 71 1.586 12.544 -12.627 1.00 0.00 C ATOM 890 CG LYS A 71 1.146 11.105 -12.255 1.00 0.00 C ATOM 891 CD LYS A 71 1.834 10.648 -10.945 1.00 0.00 C ATOM 892 CE LYS A 71 1.411 9.205 -10.607 1.00 0.00 C ATOM 893 NZ LYS A 71 2.079 8.787 -9.351 1.00 0.00 N ATOM 0 H LYS A 71 2.375 14.511 -13.886 1.00 0.00 H new ATOM 0 HA LYS A 71 0.947 12.258 -14.693 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.667 12.573 -12.767 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.352 13.223 -11.807 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.063 11.069 -12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.400 10.420 -13.064 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.917 10.703 -11.054 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.562 11.317 -10.128 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.328 9.147 -10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.684 8.533 -11.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.024 7.753 -9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.076 9.080 -9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.605 9.234 -8.540 1.00 0.00 H new ATOM 907 N TYR A 72 -0.871 14.260 -12.701 1.00 0.00 N ATOM 908 CA TYR A 72 -2.257 14.636 -12.341 1.00 0.00 C ATOM 909 C TYR A 72 -2.605 15.933 -13.045 1.00 0.00 C ATOM 910 O TYR A 72 -3.726 16.084 -13.518 1.00 0.00 O ATOM 911 CB TYR A 72 -2.371 14.832 -10.807 1.00 0.00 C ATOM 912 CG TYR A 72 -2.280 13.462 -10.114 1.00 0.00 C ATOM 913 CD1 TYR A 72 -3.399 12.604 -10.145 1.00 0.00 C ATOM 914 CD2 TYR A 72 -1.104 13.040 -9.454 1.00 0.00 C ATOM 915 CE1 TYR A 72 -3.343 11.353 -9.532 1.00 0.00 C ATOM 916 CE2 TYR A 72 -1.060 11.781 -8.839 1.00 0.00 C ATOM 917 CZ TYR A 72 -2.176 10.943 -8.879 1.00 0.00 C ATOM 918 OH TYR A 72 -2.124 9.709 -8.269 1.00 0.00 O ATOM 0 H TYR A 72 -0.151 14.791 -12.211 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.944 13.847 -12.647 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.575 15.486 -10.452 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.316 15.316 -10.559 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.303 12.917 -10.646 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.240 13.687 -9.423 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.202 10.699 -9.561 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.162 11.459 -8.334 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.241 9.581 -7.863 1.00 0.00 H new ATOM 928 N ASP A 73 -1.655 16.882 -13.043 1.00 0.00 N ATOM 929 CA ASP A 73 -1.877 18.207 -13.649 1.00 0.00 C ATOM 930 C ASP A 73 -2.149 18.078 -15.158 1.00 0.00 C ATOM 931 O ASP A 73 -1.355 18.522 -15.995 1.00 0.00 O ATOM 932 CB ASP A 73 -0.654 19.131 -13.408 1.00 0.00 C ATOM 933 CG ASP A 73 -0.946 20.555 -13.905 1.00 0.00 C ATOM 934 OD1 ASP A 73 -1.530 21.316 -13.152 1.00 0.00 O ATOM 935 OD2 ASP A 73 -0.601 20.852 -15.039 1.00 0.00 O ATOM 0 H ASP A 73 -0.730 16.759 -12.631 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.751 18.651 -13.174 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.412 19.153 -12.345 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.218 18.731 -13.925 1.00 0.00 H new ATOM 940 N VAL A 74 -3.281 17.472 -15.490 1.00 0.00 N ATOM 941 CA VAL A 74 -3.691 17.290 -16.881 1.00 0.00 C ATOM 942 C VAL A 74 -4.111 18.633 -17.464 1.00 0.00 C ATOM 943 O VAL A 74 -4.295 18.764 -18.672 1.00 0.00 O ATOM 944 CB VAL A 74 -4.874 16.273 -16.953 1.00 0.00 C ATOM 945 CG1 VAL A 74 -6.084 16.767 -16.094 1.00 0.00 C ATOM 946 CG2 VAL A 74 -5.324 16.050 -18.443 1.00 0.00 C ATOM 0 H VAL A 74 -3.939 17.094 -14.809 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.856 16.896 -17.461 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.526 15.323 -16.547 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.896 16.043 -16.159 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.774 16.871 -15.054 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.427 17.731 -16.469 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.149 15.338 -18.471 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.648 16.999 -18.871 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.487 15.658 -19.021 1.00 0.00 H new ATOM 956 N ASP A 75 -4.244 19.641 -16.589 1.00 0.00 N ATOM 957 CA ASP A 75 -4.651 20.976 -17.024 1.00 0.00 C ATOM 958 C ASP A 75 -3.522 21.617 -17.828 1.00 0.00 C ATOM 959 O ASP A 75 -3.741 22.611 -18.521 1.00 0.00 O ATOM 960 CB ASP A 75 -4.988 21.825 -15.775 1.00 0.00 C ATOM 961 CG ASP A 75 -6.236 21.275 -15.062 1.00 0.00 C ATOM 962 OD1 ASP A 75 -7.282 21.255 -15.687 1.00 0.00 O ATOM 963 OD2 ASP A 75 -6.124 20.886 -13.908 1.00 0.00 O ATOM 0 H ASP A 75 -4.076 19.554 -15.587 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.533 20.915 -17.662 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.141 21.823 -15.089 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.158 22.861 -16.069 1.00 0.00 H new ATOM 968 N GLY A 76 -2.312 21.034 -17.748 1.00 0.00 N ATOM 969 CA GLY A 76 -1.156 21.550 -18.488 1.00 0.00 C ATOM 970 C GLY A 76 -0.786 22.963 -18.038 1.00 0.00 C ATOM 971 O GLY A 76 0.120 23.581 -18.594 1.00 0.00 O ATOM 0 H GLY A 76 -2.114 20.210 -17.180 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.304 20.886 -18.342 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.378 21.554 -19.555 1.00 0.00 H new ATOM 975 N ASP A 77 -1.502 23.467 -17.022 1.00 0.00 N ATOM 976 CA ASP A 77 -1.268 24.818 -16.475 1.00 0.00 C ATOM 977 C ASP A 77 -0.171 24.773 -15.410 1.00 0.00 C ATOM 978 O ASP A 77 0.170 25.798 -14.832 1.00 0.00 O ATOM 979 CB ASP A 77 -2.586 25.349 -15.844 1.00 0.00 C ATOM 980 CG ASP A 77 -3.120 24.375 -14.784 1.00 0.00 C ATOM 981 OD1 ASP A 77 -2.417 23.432 -14.453 1.00 0.00 O ATOM 982 OD2 ASP A 77 -4.227 24.595 -14.317 1.00 0.00 O ATOM 0 H ASP A 77 -2.254 22.957 -16.558 1.00 0.00 H new ATOM 0 HA ASP A 77 -0.950 25.481 -17.280 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.409 26.324 -15.391 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.335 25.491 -16.623 1.00 0.00 H new ATOM 987 N ARG A 78 0.357 23.567 -15.157 1.00 0.00 N ATOM 988 CA ARG A 78 1.406 23.348 -14.153 1.00 0.00 C ATOM 989 C ARG A 78 0.948 23.848 -12.785 1.00 0.00 C ATOM 990 O ARG A 78 1.768 24.106 -11.902 1.00 0.00 O ATOM 991 CB ARG A 78 2.700 24.087 -14.577 1.00 0.00 C ATOM 992 CG ARG A 78 3.145 23.616 -15.988 1.00 0.00 C ATOM 993 CD ARG A 78 4.435 24.350 -16.403 1.00 0.00 C ATOM 994 NE ARG A 78 4.181 25.800 -16.466 1.00 0.00 N ATOM 995 CZ ARG A 78 5.166 26.682 -16.680 1.00 0.00 C ATOM 996 NH1 ARG A 78 6.395 26.265 -16.828 1.00 0.00 N ATOM 997 NH2 ARG A 78 4.900 27.960 -16.730 1.00 0.00 N ATOM 0 H ARG A 78 0.069 22.717 -15.642 1.00 0.00 H new ATOM 0 HA ARG A 78 1.607 22.279 -14.084 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.528 25.163 -14.582 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.492 23.894 -13.854 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.314 22.539 -15.985 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.355 23.813 -16.713 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.230 24.141 -15.688 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.775 23.988 -17.373 1.00 0.00 H new ATOM 0 HE ARG A 78 3.228 26.142 -16.343 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.604 25.268 -16.781 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.145 26.937 -16.991 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.942 28.287 -16.606 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.651 28.631 -16.893 1.00 0.00 H new ATOM 1011 N VAL A 79 -0.371 24.005 -12.633 1.00 0.00 N ATOM 1012 CA VAL A 79 -0.977 24.496 -11.383 1.00 0.00 C ATOM 1013 C VAL A 79 -2.333 23.818 -11.174 1.00 0.00 C ATOM 1014 O VAL A 79 -3.016 23.430 -12.113 1.00 0.00 O ATOM 1015 CB VAL A 79 -1.156 26.049 -11.426 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -1.869 26.561 -10.122 1.00 0.00 C ATOM 1017 CG2 VAL A 79 0.238 26.747 -11.567 1.00 0.00 C ATOM 0 H VAL A 79 -1.049 23.798 -13.367 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.315 24.252 -10.552 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.775 26.298 -12.288 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.984 27.644 -10.171 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.851 26.095 -10.037 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.267 26.300 -9.252 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.102 27.828 -11.596 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.865 26.483 -10.715 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.719 26.417 -12.488 1.00 0.00 H new ATOM 1027 N LEU A 80 -2.690 23.668 -9.906 1.00 0.00 N ATOM 1028 CA LEU A 80 -3.935 23.031 -9.479 1.00 0.00 C ATOM 1029 C LEU A 80 -4.470 23.814 -8.270 1.00 0.00 C ATOM 1030 O LEU A 80 -3.696 24.260 -7.423 1.00 0.00 O ATOM 1031 CB LEU A 80 -3.687 21.507 -9.176 1.00 0.00 C ATOM 1032 CG LEU A 80 -2.190 21.194 -8.814 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -1.780 21.901 -7.481 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -1.990 19.655 -8.713 1.00 0.00 C ATOM 0 H LEU A 80 -2.114 23.990 -9.128 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.690 23.058 -10.265 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.328 21.196 -8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.977 20.917 -10.045 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.545 21.582 -9.603 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.740 21.669 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.896 22.979 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.418 21.548 -6.671 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.952 19.439 -8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.642 19.253 -7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.236 19.193 -9.669 1.00 0.00 H new ATOM 1046 N ASP A 81 -5.789 24.000 -8.200 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.418 24.745 -7.106 1.00 0.00 C ATOM 1048 C ASP A 81 -6.575 23.844 -5.877 1.00 0.00 C ATOM 1049 O ASP A 81 -6.084 22.712 -5.847 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.790 25.262 -7.595 1.00 0.00 C ATOM 1051 CG ASP A 81 -7.594 26.107 -8.859 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -6.659 26.894 -8.883 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -8.369 25.949 -9.790 1.00 0.00 O ATOM 0 H ASP A 81 -6.447 23.643 -8.893 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.795 25.591 -6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.454 24.423 -7.804 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.265 25.858 -6.816 1.00 0.00 H new ATOM 1058 N ALA A 82 -7.266 24.369 -4.869 1.00 0.00 N ATOM 1059 CA ALA A 82 -7.504 23.655 -3.611 1.00 0.00 C ATOM 1060 C ALA A 82 -8.249 22.332 -3.835 1.00 0.00 C ATOM 1061 O ALA A 82 -8.009 21.341 -3.134 1.00 0.00 O ATOM 1062 CB ALA A 82 -8.342 24.566 -2.680 1.00 0.00 C ATOM 0 H ALA A 82 -7.678 25.302 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.540 23.417 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.529 24.050 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.796 25.489 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.292 24.801 -3.160 1.00 0.00 H new ATOM 1068 N GLU A 83 -9.170 22.328 -4.803 1.00 0.00 N ATOM 1069 CA GLU A 83 -9.978 21.142 -5.108 1.00 0.00 C ATOM 1070 C GLU A 83 -9.135 20.063 -5.782 1.00 0.00 C ATOM 1071 O GLU A 83 -9.052 18.938 -5.290 1.00 0.00 O ATOM 1072 CB GLU A 83 -11.161 21.546 -6.031 1.00 0.00 C ATOM 1073 CG GLU A 83 -12.141 22.515 -5.301 1.00 0.00 C ATOM 1074 CD GLU A 83 -11.471 23.862 -4.995 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -10.707 24.322 -5.826 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -11.729 24.405 -3.931 1.00 0.00 O ATOM 0 H GLU A 83 -9.376 23.136 -5.391 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.364 20.734 -4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.776 22.024 -6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.699 20.653 -6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.023 22.678 -5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.483 22.058 -4.373 1.00 0.00 H new ATOM 1083 N GLU A 84 -8.515 20.409 -6.920 1.00 0.00 N ATOM 1084 CA GLU A 84 -7.680 19.456 -7.671 1.00 0.00 C ATOM 1085 C GLU A 84 -6.665 18.812 -6.729 1.00 0.00 C ATOM 1086 O GLU A 84 -6.271 17.659 -6.921 1.00 0.00 O ATOM 1087 CB GLU A 84 -6.970 20.197 -8.851 1.00 0.00 C ATOM 1088 CG GLU A 84 -7.912 20.355 -10.077 1.00 0.00 C ATOM 1089 CD GLU A 84 -9.169 21.142 -9.690 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -9.024 22.148 -9.014 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -10.254 20.724 -10.063 1.00 0.00 O ATOM 0 H GLU A 84 -8.575 21.337 -7.340 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.303 18.666 -8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.639 21.180 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.079 19.643 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.387 20.869 -10.882 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.193 19.372 -10.456 1.00 0.00 H new ATOM 1098 N GLN A 85 -6.273 19.561 -5.686 1.00 0.00 N ATOM 1099 CA GLN A 85 -5.334 19.040 -4.693 1.00 0.00 C ATOM 1100 C GLN A 85 -5.992 17.902 -3.912 1.00 0.00 C ATOM 1101 O GLN A 85 -5.382 16.860 -3.682 1.00 0.00 O ATOM 1102 CB GLN A 85 -4.902 20.166 -3.705 1.00 0.00 C ATOM 1103 CG GLN A 85 -3.590 19.765 -2.953 1.00 0.00 C ATOM 1104 CD GLN A 85 -2.401 19.837 -3.912 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -1.948 18.815 -4.431 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -1.900 21.001 -4.203 1.00 0.00 N ATOM 0 H GLN A 85 -6.589 20.515 -5.514 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.450 18.668 -5.211 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.745 21.096 -4.251 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.699 20.350 -2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.427 20.432 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.684 18.756 -2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.280 21.843 -3.770 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -1.127 21.073 -4.865 1.00 0.00 H new ATOM 1115 N MET A 86 -7.246 18.127 -3.486 1.00 0.00 N ATOM 1116 CA MET A 86 -7.981 17.112 -2.711 1.00 0.00 C ATOM 1117 C MET A 86 -7.960 15.780 -3.456 1.00 0.00 C ATOM 1118 O MET A 86 -7.690 14.730 -2.873 1.00 0.00 O ATOM 1119 CB MET A 86 -9.452 17.558 -2.478 1.00 0.00 C ATOM 1120 CG MET A 86 -10.202 16.561 -1.552 1.00 0.00 C ATOM 1121 SD MET A 86 -11.888 17.171 -1.250 1.00 0.00 S ATOM 1122 CE MET A 86 -11.575 18.134 0.252 1.00 0.00 C ATOM 0 H MET A 86 -7.765 18.987 -3.661 1.00 0.00 H new ATOM 0 HA MET A 86 -7.495 16.996 -1.742 1.00 0.00 H new ATOM 0 HB2 MET A 86 -9.467 18.553 -2.033 1.00 0.00 H new ATOM 0 HB3 MET A 86 -9.969 17.629 -3.435 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.237 15.574 -2.014 1.00 0.00 H new ATOM 0 HG3 MET A 86 -9.668 16.452 -0.608 1.00 0.00 H new ATOM 0 HE1 MET A 86 -12.505 18.590 0.592 1.00 0.00 H new ATOM 0 HE2 MET A 86 -11.187 17.478 1.031 1.00 0.00 H new ATOM 0 HE3 MET A 86 -10.845 18.915 0.038 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.237 15.854 -4.759 1.00 0.00 N ATOM 1133 CA LYS A 87 -8.249 14.667 -5.611 1.00 0.00 C ATOM 1134 C LYS A 87 -6.841 14.067 -5.709 1.00 0.00 C ATOM 1135 O LYS A 87 -6.678 12.850 -5.791 1.00 0.00 O ATOM 1136 CB LYS A 87 -8.771 15.023 -7.028 1.00 0.00 C ATOM 1137 CG LYS A 87 -8.970 13.729 -7.872 1.00 0.00 C ATOM 1138 CD LYS A 87 -9.534 14.065 -9.275 1.00 0.00 C ATOM 1139 CE LYS A 87 -9.749 12.760 -10.075 1.00 0.00 C ATOM 1140 NZ LYS A 87 -8.448 12.035 -10.176 1.00 0.00 N ATOM 0 H LYS A 87 -8.456 16.723 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.917 13.930 -5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.715 15.563 -6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.064 15.686 -7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.019 13.207 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.651 13.053 -7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.477 14.604 -9.179 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.845 14.720 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.492 12.134 -9.582 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.133 12.987 -11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.487 11.361 -10.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.682 12.718 -10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.268 11.520 -9.291 1.00 0.00 H new ATOM 1154 N MET A 88 -5.831 14.948 -5.729 1.00 0.00 N ATOM 1155 CA MET A 88 -4.429 14.510 -5.844 1.00 0.00 C ATOM 1156 C MET A 88 -4.060 13.613 -4.659 1.00 0.00 C ATOM 1157 O MET A 88 -3.684 12.453 -4.831 1.00 0.00 O ATOM 1158 CB MET A 88 -3.481 15.744 -5.898 1.00 0.00 C ATOM 1159 CG MET A 88 -2.064 15.320 -6.345 1.00 0.00 C ATOM 1160 SD MET A 88 -0.960 16.753 -6.335 1.00 0.00 S ATOM 1161 CE MET A 88 0.375 16.009 -7.304 1.00 0.00 C ATOM 0 H MET A 88 -5.954 15.959 -5.668 1.00 0.00 H new ATOM 0 HA MET A 88 -4.314 13.941 -6.767 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.880 16.486 -6.590 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.433 16.216 -4.917 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.679 14.549 -5.678 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.103 14.887 -7.345 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.116 16.770 -7.547 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.846 15.215 -6.725 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.033 15.593 -8.225 1.00 0.00 H new ATOM 1171 N ALA A 89 -4.179 14.175 -3.447 1.00 0.00 N ATOM 1172 CA ALA A 89 -3.856 13.440 -2.214 1.00 0.00 C ATOM 1173 C ALA A 89 -4.627 12.121 -2.150 1.00 0.00 C ATOM 1174 O ALA A 89 -4.096 11.103 -1.730 1.00 0.00 O ATOM 1175 CB ALA A 89 -4.195 14.310 -0.978 1.00 0.00 C ATOM 0 H ALA A 89 -4.495 15.133 -3.294 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.789 13.215 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.953 13.760 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.613 15.231 -1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.258 14.552 -0.984 1.00 0.00 H new ATOM 1181 N HIS A 90 -5.886 12.154 -2.587 1.00 0.00 N ATOM 1182 CA HIS A 90 -6.745 10.955 -2.586 1.00 0.00 C ATOM 1183 C HIS A 90 -6.142 9.846 -3.459 1.00 0.00 C ATOM 1184 O HIS A 90 -6.074 8.689 -3.036 1.00 0.00 O ATOM 1185 CB HIS A 90 -8.166 11.332 -3.115 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.044 11.812 -1.989 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -8.794 12.991 -1.310 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -10.144 11.258 -1.395 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -9.726 13.106 -0.350 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -10.574 12.074 -0.358 1.00 0.00 N ATOM 0 H HIS A 90 -6.339 12.994 -2.947 1.00 0.00 H new ATOM 0 HA HIS A 90 -6.819 10.582 -1.565 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.082 12.110 -3.874 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.622 10.466 -3.595 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -8.041 13.651 -1.503 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.607 10.328 -1.688 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -9.783 13.932 0.344 1.00 0.00 H new ATOM 1198 N ASP A 91 -5.736 10.194 -4.685 1.00 0.00 N ATOM 1199 CA ASP A 91 -5.175 9.207 -5.615 1.00 0.00 C ATOM 1200 C ASP A 91 -3.918 8.554 -5.029 1.00 0.00 C ATOM 1201 O ASP A 91 -3.667 7.368 -5.239 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.845 9.897 -6.958 1.00 0.00 C ATOM 1203 CG ASP A 91 -6.091 10.595 -7.513 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -7.151 9.995 -7.464 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -5.968 11.718 -7.986 1.00 0.00 O ATOM 0 H ASP A 91 -5.784 11.143 -5.054 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.913 8.422 -5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.045 10.624 -6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.482 9.160 -7.675 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.143 9.348 -4.284 1.00 0.00 N ATOM 1211 CA LEU A 92 -1.911 8.862 -3.647 1.00 0.00 C ATOM 1212 C LEU A 92 -2.238 7.851 -2.543 1.00 0.00 C ATOM 1213 O LEU A 92 -1.570 6.814 -2.418 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.114 10.069 -3.079 1.00 0.00 C ATOM 1215 CG LEU A 92 -0.588 11.005 -4.227 1.00 0.00 C ATOM 1216 CD1 LEU A 92 0.116 12.247 -3.611 1.00 0.00 C ATOM 1217 CD2 LEU A 92 0.400 10.250 -5.187 1.00 0.00 C ATOM 0 H LEU A 92 -3.346 10.332 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.298 8.352 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.751 10.642 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.272 9.705 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.446 11.324 -4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.479 12.893 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.593 12.798 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.956 11.922 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.741 10.931 -5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.258 9.891 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.112 9.403 -5.644 1.00 0.00 H new ATOM 1229 N GLU A 93 -3.274 8.145 -1.754 1.00 0.00 N ATOM 1230 CA GLU A 93 -3.693 7.249 -0.668 1.00 0.00 C ATOM 1231 C GLU A 93 -4.118 5.897 -1.249 1.00 0.00 C ATOM 1232 O GLU A 93 -3.806 4.852 -0.679 1.00 0.00 O ATOM 1233 CB GLU A 93 -4.867 7.904 0.110 1.00 0.00 C ATOM 1234 CG GLU A 93 -4.380 9.139 0.931 1.00 0.00 C ATOM 1235 CD GLU A 93 -3.500 8.697 2.109 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -3.984 7.919 2.914 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -2.357 9.126 2.181 1.00 0.00 O ATOM 0 H GLU A 93 -3.837 8.991 -1.844 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.862 7.084 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.643 8.212 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.316 7.172 0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.818 9.813 0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.240 9.697 1.302 1.00 0.00 H new ATOM 1244 N GLY A 94 -4.822 5.925 -2.387 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.267 4.694 -3.043 1.00 0.00 C ATOM 1246 C GLY A 94 -4.073 3.912 -3.581 1.00 0.00 C ATOM 1247 O GLY A 94 -3.959 2.712 -3.352 1.00 0.00 O ATOM 0 H GLY A 94 -5.093 6.782 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.823 4.079 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.948 4.936 -3.859 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.195 4.609 -4.321 1.00 0.00 N ATOM 1252 CA GLN A 95 -2.001 3.978 -4.926 1.00 0.00 C ATOM 1253 C GLN A 95 -1.296 3.082 -3.907 1.00 0.00 C ATOM 1254 O GLN A 95 -0.801 2.002 -4.236 1.00 0.00 O ATOM 1255 CB GLN A 95 -1.020 5.061 -5.449 1.00 0.00 C ATOM 1256 CG GLN A 95 0.094 4.419 -6.334 1.00 0.00 C ATOM 1257 CD GLN A 95 1.067 5.480 -6.840 1.00 0.00 C ATOM 1258 OE1 GLN A 95 2.259 5.206 -6.991 1.00 0.00 O ATOM 1259 NE2 GLN A 95 0.632 6.680 -7.112 1.00 0.00 N ATOM 0 H GLN A 95 -3.285 5.606 -4.517 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.327 3.365 -5.766 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.567 5.805 -6.028 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.566 5.584 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.635 3.669 -5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.360 3.903 -7.180 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.355 6.905 -6.987 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.279 7.393 -7.450 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.284 3.550 -2.655 1.00 0.00 N ATOM 1269 CA LYS A 96 -0.671 2.798 -1.556 1.00 0.00 C ATOM 1270 C LYS A 96 -1.365 1.442 -1.388 1.00 0.00 C ATOM 1271 O LYS A 96 -0.707 0.416 -1.215 1.00 0.00 O ATOM 1272 CB LYS A 96 -0.790 3.607 -0.239 1.00 0.00 C ATOM 1273 CG LYS A 96 0.157 3.017 0.857 1.00 0.00 C ATOM 1274 CD LYS A 96 -0.144 3.638 2.247 1.00 0.00 C ATOM 1275 CE LYS A 96 0.047 5.178 2.244 1.00 0.00 C ATOM 1276 NZ LYS A 96 0.147 5.643 3.649 1.00 0.00 N ATOM 0 H LYS A 96 -1.691 4.443 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 96 0.381 2.632 -1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.536 4.651 -0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.821 3.587 0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.034 1.935 0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.195 3.209 0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.167 3.399 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.512 3.192 2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.947 5.447 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.791 5.663 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.276 6.675 3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.724 5.395 4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.960 5.186 4.109 1.00 0.00 H new ATOM 1290 N SER A 97 -2.704 1.467 -1.432 1.00 0.00 N ATOM 1291 CA SER A 97 -3.511 0.248 -1.281 1.00 0.00 C ATOM 1292 C SER A 97 -3.215 -0.731 -2.416 1.00 0.00 C ATOM 1293 O SER A 97 -3.118 -1.938 -2.200 1.00 0.00 O ATOM 1294 CB SER A 97 -5.014 0.594 -1.265 1.00 0.00 C ATOM 1295 OG SER A 97 -5.758 -0.599 -1.072 1.00 0.00 O ATOM 0 H SER A 97 -3.251 2.317 -1.571 1.00 0.00 H new ATOM 0 HA SER A 97 -3.248 -0.221 -0.333 1.00 0.00 H new ATOM 0 HB2 SER A 97 -5.229 1.305 -0.467 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.301 1.070 -2.203 1.00 0.00 H new ATOM 0 HG SER A 97 -6.715 -0.389 -1.059 1.00 0.00 H new ATOM 1301 N ASP A 98 -3.075 -0.188 -3.632 1.00 0.00 N ATOM 1302 CA ASP A 98 -2.790 -0.999 -4.825 1.00 0.00 C ATOM 1303 C ASP A 98 -1.413 -1.665 -4.712 1.00 0.00 C ATOM 1304 O ASP A 98 -1.231 -2.811 -5.118 1.00 0.00 O ATOM 1305 CB ASP A 98 -2.834 -0.094 -6.085 1.00 0.00 C ATOM 1306 CG ASP A 98 -4.231 0.513 -6.254 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -5.141 -0.237 -6.567 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -4.371 1.714 -6.070 1.00 0.00 O ATOM 0 H ASP A 98 -3.155 0.812 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.545 -1.781 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.093 0.700 -5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.573 -0.676 -6.969 1.00 0.00 H new ATOM 1313 N LEU A 99 -0.444 -0.929 -4.159 1.00 0.00 N ATOM 1314 CA LEU A 99 0.932 -1.440 -3.998 1.00 0.00 C ATOM 1315 C LEU A 99 0.966 -2.608 -3.020 1.00 0.00 C ATOM 1316 O LEU A 99 1.664 -3.595 -3.249 1.00 0.00 O ATOM 1317 CB LEU A 99 1.864 -0.284 -3.518 1.00 0.00 C ATOM 1318 CG LEU A 99 2.246 0.679 -4.710 1.00 0.00 C ATOM 1319 CD1 LEU A 99 2.732 2.049 -4.164 1.00 0.00 C ATOM 1320 CD2 LEU A 99 3.369 0.048 -5.598 1.00 0.00 C ATOM 0 H LEU A 99 -0.581 0.021 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 99 1.290 -1.807 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.366 0.285 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.771 -0.703 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 99 1.354 0.827 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.992 2.702 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.937 2.509 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.609 1.899 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.615 0.730 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.257 -0.128 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.018 -0.898 -6.010 1.00 0.00 H new ATOM 1332 N ASN A 100 0.234 -2.474 -1.915 1.00 0.00 N ATOM 1333 CA ASN A 100 0.204 -3.517 -0.884 1.00 0.00 C ATOM 1334 C ASN A 100 -0.084 -4.884 -1.532 1.00 0.00 C ATOM 1335 O ASN A 100 0.505 -5.899 -1.154 1.00 0.00 O ATOM 1336 CB ASN A 100 -0.873 -3.170 0.167 1.00 0.00 C ATOM 1337 CG ASN A 100 -0.616 -1.782 0.770 1.00 0.00 C ATOM 1338 OD1 ASN A 100 -1.548 -1.141 1.251 1.00 0.00 O ATOM 1339 ND2 ASN A 100 0.591 -1.276 0.779 1.00 0.00 N ATOM 0 H ASN A 100 -0.344 -1.659 -1.709 1.00 0.00 H new ATOM 0 HA ASN A 100 1.173 -3.571 -0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.860 -3.194 -0.295 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.872 -3.921 0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.755 -0.354 1.184 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.368 -1.804 0.381 1.00 0.00 H new ATOM 1346 N ASN A 101 -0.969 -4.873 -2.536 1.00 0.00 N ATOM 1347 CA ASN A 101 -1.318 -6.091 -3.283 1.00 0.00 C ATOM 1348 C ASN A 101 -0.130 -6.564 -4.133 1.00 0.00 C ATOM 1349 O ASN A 101 0.211 -7.746 -4.131 1.00 0.00 O ATOM 1350 CB ASN A 101 -2.533 -5.803 -4.196 1.00 0.00 C ATOM 1351 CG ASN A 101 -3.695 -5.286 -3.356 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -4.118 -4.139 -3.506 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -4.232 -6.075 -2.471 1.00 0.00 N ATOM 0 H ASN A 101 -1.457 -4.035 -2.851 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.570 -6.879 -2.573 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.264 -5.068 -4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.828 -6.711 -4.723 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.008 -5.744 -1.897 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.877 -7.024 -2.352 1.00 0.00 H new ATOM 1360 N GLN A 102 0.483 -5.626 -4.877 1.00 0.00 N ATOM 1361 CA GLN A 102 1.629 -5.960 -5.754 1.00 0.00 C ATOM 1362 C GLN A 102 2.708 -6.710 -4.958 1.00 0.00 C ATOM 1363 O GLN A 102 3.230 -7.732 -5.407 1.00 0.00 O ATOM 1364 CB GLN A 102 2.228 -4.663 -6.364 1.00 0.00 C ATOM 1365 CG GLN A 102 1.208 -3.984 -7.318 1.00 0.00 C ATOM 1366 CD GLN A 102 1.762 -2.652 -7.832 1.00 0.00 C ATOM 1367 OE1 GLN A 102 1.122 -1.609 -7.690 1.00 0.00 O ATOM 1368 NE2 GLN A 102 2.932 -2.630 -8.405 1.00 0.00 N ATOM 0 H GLN A 102 0.212 -4.643 -4.892 1.00 0.00 H new ATOM 0 HA GLN A 102 1.276 -6.603 -6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 102 2.503 -3.973 -5.566 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.142 -4.900 -6.909 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.992 -4.644 -8.158 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.267 -3.816 -6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.459 -3.495 -8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.321 -1.747 -8.737 1.00 0.00 H new ATOM 1377 N LEU A 103 3.026 -6.184 -3.776 1.00 0.00 N ATOM 1378 CA LEU A 103 4.035 -6.786 -2.898 1.00 0.00 C ATOM 1379 C LEU A 103 3.474 -8.047 -2.261 1.00 0.00 C ATOM 1380 O LEU A 103 4.168 -8.723 -1.497 1.00 0.00 O ATOM 1381 CB LEU A 103 4.430 -5.756 -1.801 1.00 0.00 C ATOM 1382 CG LEU A 103 4.929 -4.415 -2.442 1.00 0.00 C ATOM 1383 CD1 LEU A 103 5.259 -3.392 -1.322 1.00 0.00 C ATOM 1384 CD2 LEU A 103 6.179 -4.645 -3.361 1.00 0.00 C ATOM 0 H LEU A 103 2.598 -5.338 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 103 4.919 -7.053 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.573 -5.559 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.213 -6.175 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 103 4.131 -4.019 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.606 -2.461 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.364 -3.199 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.039 -3.797 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.497 -3.694 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.992 -5.067 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.918 -5.334 -4.164 1.00 0.00 H new