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 32 GLN : amide:sc= -1.38 K(o=-2.5,f=-10!) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 176:sc= -1.14 (180deg=0) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -161:sc= -0.0936 (180deg=-0.708) USER MOD Set 2.2: A 60 HIS : no HD1:sc= -0.172 X(o=-0.27,f=-0.24) USER MOD Set 3.1: A 20 HIS : no HE2:sc= 0 X(o=-0.13,f=-0.32) USER MOD Set 3.2: A 24 LYS NZ :NH3+ -151:sc= -0.131 (180deg=-0.838) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.703 X(o=-0.7,f=-0.57) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0556 X(o=-0.056,f=-0.056) USER MOD Single : A 45 HIS : no HD1:sc= -5.83! C(o=-5.8!,f=-14!) USER MOD Single : A 53 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.3) USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= -0.0104 (180deg=-0.472) USER MOD Single : A 57 CYS SG : rot 80:sc= 0.538 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.102 F(o=-1.1,f=-0.1) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -151:sc= 0 (180deg=-0.487) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 95 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.93) USER MOD Single : A 97 SER OG : rot 78:sc= 0.119 USER MOD Single : A 100 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.1) USER MOD Single : A 101 ASN : amide:sc= -0.371 K(o=-0.37,f=-1) USER MOD Single : A 102 GLN : amide:sc= -0.0635 X(o=-0.064,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 108 N HIS A 20 12.196 -0.732 -7.541 1.00 0.00 N ATOM 109 CA HIS A 20 11.509 0.449 -8.087 1.00 0.00 C ATOM 110 C HIS A 20 10.186 0.681 -7.338 1.00 0.00 C ATOM 111 O HIS A 20 9.780 1.820 -7.110 1.00 0.00 O ATOM 112 CB HIS A 20 11.244 0.258 -9.607 1.00 0.00 C ATOM 113 CG HIS A 20 10.628 1.514 -10.188 1.00 0.00 C ATOM 114 ND1 HIS A 20 11.336 2.703 -10.273 1.00 0.00 N ATOM 115 CD2 HIS A 20 9.368 1.793 -10.657 1.00 0.00 C ATOM 116 CE1 HIS A 20 10.504 3.635 -10.769 1.00 0.00 C ATOM 117 NE2 HIS A 20 9.292 3.134 -11.022 1.00 0.00 N ATOM 0 HA HIS A 20 12.145 1.324 -7.952 1.00 0.00 H new ATOM 0 HB2 HIS A 20 12.178 0.030 -10.121 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.578 -0.590 -9.764 1.00 0.00 H new ATOM 0 HD1 HIS A 20 12.311 2.845 -10.008 1.00 0.00 H new ATOM 0 HD2 HIS A 20 8.560 1.081 -10.731 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.782 4.664 -10.942 1.00 0.00 H new ATOM 125 N MET A 21 9.518 -0.421 -6.968 1.00 0.00 N ATOM 126 CA MET A 21 8.236 -0.352 -6.246 1.00 0.00 C ATOM 127 C MET A 21 8.432 0.358 -4.895 1.00 0.00 C ATOM 128 O MET A 21 7.670 1.254 -4.541 1.00 0.00 O ATOM 129 CB MET A 21 7.711 -1.793 -6.020 1.00 0.00 C ATOM 130 CG MET A 21 7.439 -2.516 -7.369 1.00 0.00 C ATOM 131 SD MET A 21 6.031 -1.743 -8.235 1.00 0.00 S ATOM 132 CE MET A 21 4.679 -2.741 -7.543 1.00 0.00 C ATOM 0 H MET A 21 9.842 -1.370 -7.156 1.00 0.00 H new ATOM 0 HA MET A 21 7.512 0.214 -6.832 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.440 -2.361 -5.442 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.794 -1.760 -5.432 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.328 -2.473 -7.998 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.228 -3.570 -7.188 1.00 0.00 H new ATOM 0 HE1 MET A 21 3.730 -2.408 -7.962 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.837 -3.790 -7.792 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.658 -2.624 -6.459 1.00 0.00 H new ATOM 142 N ALA A 22 9.442 -0.068 -4.126 1.00 0.00 N ATOM 143 CA ALA A 22 9.715 0.530 -2.807 1.00 0.00 C ATOM 144 C ALA A 22 9.905 2.045 -2.935 1.00 0.00 C ATOM 145 O ALA A 22 9.354 2.818 -2.147 1.00 0.00 O ATOM 146 CB ALA A 22 10.986 -0.100 -2.202 1.00 0.00 C ATOM 0 H ALA A 22 10.081 -0.818 -4.389 1.00 0.00 H new ATOM 0 HA ALA A 22 8.865 0.336 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.184 0.345 -1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.841 -1.174 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.833 0.083 -2.863 1.00 0.00 H new ATOM 152 N SER A 23 10.690 2.459 -3.941 1.00 0.00 N ATOM 153 CA SER A 23 10.961 3.885 -4.173 1.00 0.00 C ATOM 154 C SER A 23 9.655 4.668 -4.339 1.00 0.00 C ATOM 155 O SER A 23 9.492 5.739 -3.767 1.00 0.00 O ATOM 156 CB SER A 23 11.817 4.049 -5.443 1.00 0.00 C ATOM 157 OG SER A 23 12.073 5.431 -5.659 1.00 0.00 O ATOM 0 H SER A 23 11.146 1.831 -4.603 1.00 0.00 H new ATOM 0 HA SER A 23 11.497 4.278 -3.309 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.756 3.505 -5.336 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.299 3.624 -6.303 1.00 0.00 H new ATOM 0 HG SER A 23 12.619 5.540 -6.465 1.00 0.00 H new ATOM 163 N LYS A 24 8.725 4.104 -5.113 1.00 0.00 N ATOM 164 CA LYS A 24 7.421 4.743 -5.356 1.00 0.00 C ATOM 165 C LYS A 24 6.662 4.936 -4.049 1.00 0.00 C ATOM 166 O LYS A 24 6.096 6.001 -3.802 1.00 0.00 O ATOM 167 CB LYS A 24 6.595 3.855 -6.329 1.00 0.00 C ATOM 168 CG LYS A 24 7.266 3.806 -7.757 1.00 0.00 C ATOM 169 CD LYS A 24 6.784 5.009 -8.661 1.00 0.00 C ATOM 170 CE LYS A 24 5.479 4.646 -9.411 1.00 0.00 C ATOM 171 NZ LYS A 24 5.786 3.550 -10.365 1.00 0.00 N ATOM 0 H LYS A 24 8.846 3.207 -5.584 1.00 0.00 H new ATOM 0 HA LYS A 24 7.582 5.725 -5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.514 2.845 -5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.581 4.247 -6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.350 3.839 -7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.021 2.862 -8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.620 5.891 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.563 5.264 -9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.709 4.333 -8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.090 5.515 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.143 3.609 -11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.769 3.639 -10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.661 2.632 -9.892 1.00 0.00 H new ATOM 185 N ARG A 25 6.659 3.901 -3.208 1.00 0.00 N ATOM 186 CA ARG A 25 5.969 3.970 -1.918 1.00 0.00 C ATOM 187 C ARG A 25 6.656 4.995 -1.011 1.00 0.00 C ATOM 188 O ARG A 25 5.991 5.764 -0.315 1.00 0.00 O ATOM 189 CB ARG A 25 5.961 2.568 -1.256 1.00 0.00 C ATOM 190 CG ARG A 25 5.132 2.589 0.066 1.00 0.00 C ATOM 191 CD ARG A 25 5.035 1.173 0.651 1.00 0.00 C ATOM 192 NE ARG A 25 6.382 0.665 0.948 1.00 0.00 N ATOM 193 CZ ARG A 25 6.587 -0.582 1.391 1.00 0.00 C ATOM 194 NH1 ARG A 25 5.571 -1.388 1.573 1.00 0.00 N ATOM 195 NH2 ARG A 25 7.797 -0.993 1.637 1.00 0.00 N ATOM 0 H ARG A 25 7.122 3.012 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 25 4.938 4.288 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.538 1.837 -1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.983 2.253 -1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.601 3.258 0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.133 2.980 -0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.432 1.185 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.534 0.511 -0.055 1.00 0.00 H new ATOM 0 HE ARG A 25 7.184 1.280 0.813 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.623 -1.066 1.377 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.728 -2.338 1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.588 -0.366 1.492 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.954 -1.943 1.974 1.00 0.00 H new ATOM 209 N ASP A 26 7.995 4.988 -1.022 1.00 0.00 N ATOM 210 CA ASP A 26 8.781 5.913 -0.194 1.00 0.00 C ATOM 211 C ASP A 26 8.523 7.364 -0.615 1.00 0.00 C ATOM 212 O ASP A 26 8.431 8.257 0.231 1.00 0.00 O ATOM 213 CB ASP A 26 10.291 5.588 -0.319 1.00 0.00 C ATOM 214 CG ASP A 26 11.120 6.485 0.614 1.00 0.00 C ATOM 215 OD1 ASP A 26 11.121 6.220 1.804 1.00 0.00 O ATOM 216 OD2 ASP A 26 11.725 7.427 0.126 1.00 0.00 O ATOM 0 H ASP A 26 8.555 4.355 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 26 8.474 5.792 0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.464 4.540 -0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.614 5.730 -1.350 1.00 0.00 H new ATOM 221 N LYS A 27 8.411 7.591 -1.933 1.00 0.00 N ATOM 222 CA LYS A 27 8.166 8.942 -2.468 1.00 0.00 C ATOM 223 C LYS A 27 6.881 9.525 -1.881 1.00 0.00 C ATOM 224 O LYS A 27 6.889 10.621 -1.338 1.00 0.00 O ATOM 225 CB LYS A 27 8.049 8.877 -4.028 1.00 0.00 C ATOM 226 CG LYS A 27 9.447 8.866 -4.699 1.00 0.00 C ATOM 227 CD LYS A 27 9.304 8.715 -6.239 1.00 0.00 C ATOM 228 CE LYS A 27 10.693 8.749 -6.903 1.00 0.00 C ATOM 229 NZ LYS A 27 11.337 10.052 -6.587 1.00 0.00 N ATOM 0 H LYS A 27 8.485 6.864 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 27 9.001 9.585 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.498 7.982 -4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.478 9.733 -4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.978 9.789 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.043 8.045 -4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.802 7.777 -6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.683 9.518 -6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.307 7.925 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.600 8.625 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.106 10.233 -7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.631 10.813 -6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.725 10.023 -5.622 1.00 0.00 H new ATOM 243 N ILE A 28 5.781 8.779 -1.969 1.00 0.00 N ATOM 244 CA ILE A 28 4.498 9.261 -1.432 1.00 0.00 C ATOM 245 C ILE A 28 4.649 9.574 0.060 1.00 0.00 C ATOM 246 O ILE A 28 4.234 10.621 0.513 1.00 0.00 O ATOM 247 CB ILE A 28 3.383 8.196 -1.654 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.281 7.852 -3.182 1.00 0.00 C ATOM 249 CG2 ILE A 28 2.007 8.738 -1.138 1.00 0.00 C ATOM 250 CD1 ILE A 28 2.353 6.646 -3.418 1.00 0.00 C ATOM 0 H ILE A 28 5.745 7.854 -2.398 1.00 0.00 H new ATOM 0 HA ILE A 28 4.211 10.171 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 28 3.636 7.294 -1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.905 8.717 -3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.274 7.634 -3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.236 7.985 -1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.080 8.961 -0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.746 9.646 -1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.301 6.430 -4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.745 5.776 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.355 6.877 -3.046 1.00 0.00 H new ATOM 262 N ALA A 29 5.244 8.647 0.802 1.00 0.00 N ATOM 263 CA ALA A 29 5.436 8.824 2.251 1.00 0.00 C ATOM 264 C ALA A 29 6.181 10.143 2.557 1.00 0.00 C ATOM 265 O ALA A 29 5.784 10.905 3.446 1.00 0.00 O ATOM 266 CB ALA A 29 6.223 7.617 2.807 1.00 0.00 C ATOM 0 H ALA A 29 5.603 7.766 0.434 1.00 0.00 H new ATOM 0 HA ALA A 29 4.460 8.879 2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.369 7.741 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.663 6.701 2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.193 7.556 2.313 1.00 0.00 H new ATOM 272 N ASP A 30 7.256 10.396 1.803 1.00 0.00 N ATOM 273 CA ASP A 30 8.074 11.609 1.973 1.00 0.00 C ATOM 274 C ASP A 30 7.363 12.864 1.428 1.00 0.00 C ATOM 275 O ASP A 30 7.478 13.940 2.005 1.00 0.00 O ATOM 276 CB ASP A 30 9.417 11.402 1.225 1.00 0.00 C ATOM 277 CG ASP A 30 10.196 10.217 1.814 1.00 0.00 C ATOM 278 OD1 ASP A 30 9.565 9.278 2.276 1.00 0.00 O ATOM 279 OD2 ASP A 30 11.417 10.265 1.788 1.00 0.00 O ATOM 0 H ASP A 30 7.584 9.775 1.064 1.00 0.00 H new ATOM 0 HA ASP A 30 8.243 11.769 3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.225 11.226 0.167 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.019 12.308 1.293 1.00 0.00 H new ATOM 284 N ILE A 31 6.632 12.707 0.320 1.00 0.00 N ATOM 285 CA ILE A 31 5.901 13.826 -0.318 1.00 0.00 C ATOM 286 C ILE A 31 4.616 14.154 0.441 1.00 0.00 C ATOM 287 O ILE A 31 4.238 15.322 0.549 1.00 0.00 O ATOM 288 CB ILE A 31 5.566 13.458 -1.804 1.00 0.00 C ATOM 289 CG1 ILE A 31 6.897 13.316 -2.626 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.641 14.552 -2.467 1.00 0.00 C ATOM 291 CD1 ILE A 31 6.634 12.689 -4.007 1.00 0.00 C ATOM 0 H ILE A 31 6.525 11.814 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 31 6.540 14.709 -0.294 1.00 0.00 H new ATOM 0 HB ILE A 31 5.028 12.510 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.357 14.296 -2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.605 12.699 -2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.425 14.270 -3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.708 14.627 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.150 15.516 -2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.574 12.603 -4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.197 11.699 -3.880 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.945 13.320 -4.568 1.00 0.00 H new ATOM 303 N GLN A 32 3.926 13.116 0.921 1.00 0.00 N ATOM 304 CA GLN A 32 2.651 13.296 1.626 1.00 0.00 C ATOM 305 C GLN A 32 2.864 14.143 2.874 1.00 0.00 C ATOM 306 O GLN A 32 2.235 15.188 3.036 1.00 0.00 O ATOM 307 CB GLN A 32 2.048 11.915 2.022 1.00 0.00 C ATOM 308 CG GLN A 32 0.618 12.086 2.616 1.00 0.00 C ATOM 309 CD GLN A 32 0.040 10.738 3.035 1.00 0.00 C ATOM 310 OE1 GLN A 32 0.590 10.086 3.922 1.00 0.00 O ATOM 311 NE2 GLN A 32 -1.037 10.281 2.455 1.00 0.00 N ATOM 0 H GLN A 32 4.226 12.145 0.836 1.00 0.00 H new ATOM 0 HA GLN A 32 1.954 13.804 0.960 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.008 11.266 1.147 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.694 11.427 2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.654 12.754 3.476 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.034 12.552 1.877 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.490 10.824 1.720 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.425 9.381 2.737 1.00 0.00 H new ATOM 320 N GLU A 33 3.763 13.671 3.756 1.00 0.00 N ATOM 321 CA GLU A 33 4.054 14.385 5.000 1.00 0.00 C ATOM 322 C GLU A 33 4.626 15.758 4.689 1.00 0.00 C ATOM 323 O GLU A 33 4.133 16.760 5.205 1.00 0.00 O ATOM 324 CB GLU A 33 5.058 13.585 5.870 1.00 0.00 C ATOM 325 CG GLU A 33 5.236 14.256 7.270 1.00 0.00 C ATOM 326 CD GLU A 33 6.207 13.469 8.150 1.00 0.00 C ATOM 327 OE1 GLU A 33 6.964 12.669 7.620 1.00 0.00 O ATOM 328 OE2 GLU A 33 6.188 13.696 9.347 1.00 0.00 O ATOM 0 H GLU A 33 4.292 12.808 3.628 1.00 0.00 H new ATOM 0 HA GLU A 33 3.124 14.498 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.704 12.562 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.021 13.529 5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.603 15.274 7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.268 14.326 7.767 1.00 0.00 H new ATOM 335 N ALA A 34 5.741 15.786 3.923 1.00 0.00 N ATOM 336 CA ALA A 34 6.443 17.043 3.646 1.00 0.00 C ATOM 337 C ALA A 34 5.453 18.148 3.316 1.00 0.00 C ATOM 338 O ALA A 34 5.436 19.134 4.017 1.00 0.00 O ATOM 339 CB ALA A 34 7.426 16.862 2.459 1.00 0.00 C ATOM 0 H ALA A 34 6.162 14.961 3.495 1.00 0.00 H new ATOM 0 HA ALA A 34 7.002 17.321 4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.940 17.804 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.158 16.093 2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.872 16.562 1.570 1.00 0.00 H new ATOM 345 N LEU A 35 4.601 17.941 2.305 1.00 0.00 N ATOM 346 CA LEU A 35 3.583 18.938 1.946 1.00 0.00 C ATOM 347 C LEU A 35 2.520 19.076 3.051 1.00 0.00 C ATOM 348 O LEU A 35 2.271 20.174 3.551 1.00 0.00 O ATOM 349 CB LEU A 35 2.894 18.491 0.628 1.00 0.00 C ATOM 350 CG LEU A 35 1.642 19.381 0.270 1.00 0.00 C ATOM 351 CD1 LEU A 35 2.037 20.888 0.161 1.00 0.00 C ATOM 352 CD2 LEU A 35 1.024 18.878 -1.049 1.00 0.00 C ATOM 0 H LEU A 35 4.595 17.102 1.726 1.00 0.00 H new ATOM 0 HA LEU A 35 4.070 19.905 1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.614 18.537 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.582 17.451 0.719 1.00 0.00 H new ATOM 0 HG LEU A 35 0.905 19.296 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.155 21.478 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.445 21.227 1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.787 21.012 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.158 19.490 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.763 18.948 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.713 17.840 -0.933 1.00 0.00 H new ATOM 364 N ALA A 36 1.831 17.968 3.362 1.00 0.00 N ATOM 365 CA ALA A 36 0.729 17.987 4.352 1.00 0.00 C ATOM 366 C ALA A 36 1.168 18.736 5.618 1.00 0.00 C ATOM 367 O ALA A 36 0.572 19.735 6.017 1.00 0.00 O ATOM 368 CB ALA A 36 0.303 16.545 4.698 1.00 0.00 C ATOM 0 H ALA A 36 2.010 17.052 2.950 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.126 18.508 3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.507 16.570 5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.037 16.039 3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.152 16.006 5.118 1.00 0.00 H new ATOM 374 N HIS A 37 2.244 18.241 6.199 1.00 0.00 N ATOM 375 CA HIS A 37 2.858 18.823 7.388 1.00 0.00 C ATOM 376 C HIS A 37 3.698 20.048 6.991 1.00 0.00 C ATOM 377 O HIS A 37 4.628 20.401 7.721 1.00 0.00 O ATOM 378 CB HIS A 37 3.759 17.768 8.098 1.00 0.00 C ATOM 379 CG HIS A 37 4.140 18.269 9.471 1.00 0.00 C ATOM 380 ND1 HIS A 37 3.190 18.425 10.464 1.00 0.00 N ATOM 381 CD2 HIS A 37 5.323 18.713 10.005 1.00 0.00 C ATOM 382 CE1 HIS A 37 3.804 18.951 11.535 1.00 0.00 C ATOM 383 NE2 HIS A 37 5.107 19.148 11.312 1.00 0.00 N ATOM 0 H HIS A 37 2.727 17.411 5.857 1.00 0.00 H new ATOM 0 HA HIS A 37 2.073 19.134 8.077 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.229 16.819 8.180 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.655 17.583 7.506 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.274 18.724 9.493 1.00 0.00 H new ATOM 0 HE1 HIS A 37 3.306 19.186 12.464 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.795 19.534 11.959 1.00 0.00 H new ATOM 391 N ALA A 38 3.372 20.720 5.845 1.00 0.00 N ATOM 392 CA ALA A 38 4.132 21.927 5.406 1.00 0.00 C ATOM 393 C ALA A 38 3.312 23.186 5.552 1.00 0.00 C ATOM 394 O ALA A 38 3.774 24.103 6.225 1.00 0.00 O ATOM 395 CB ALA A 38 4.558 21.862 3.896 1.00 0.00 C ATOM 0 H ALA A 38 2.608 20.453 5.225 1.00 0.00 H new ATOM 0 HA ALA A 38 5.012 21.945 6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.107 22.766 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.194 20.992 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.669 21.783 3.270 1.00 0.00 H new ATOM 401 N ASP A 39 2.089 23.195 4.909 1.00 0.00 N ATOM 402 CA ASP A 39 1.135 24.367 4.887 1.00 0.00 C ATOM 403 C ASP A 39 1.750 25.597 5.584 1.00 0.00 C ATOM 404 O ASP A 39 1.190 26.158 6.526 1.00 0.00 O ATOM 405 CB ASP A 39 -0.221 23.982 5.538 1.00 0.00 C ATOM 406 CG ASP A 39 -0.010 23.561 6.996 1.00 0.00 C ATOM 407 OD1 ASP A 39 0.806 22.685 7.219 1.00 0.00 O ATOM 408 OD2 ASP A 39 -0.660 24.127 7.864 1.00 0.00 O ATOM 0 H ASP A 39 1.739 22.388 4.392 1.00 0.00 H new ATOM 0 HA ASP A 39 0.951 24.632 3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.907 24.828 5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.682 23.167 4.980 1.00 0.00 H new ATOM 413 N ALA A 40 2.985 25.928 5.153 1.00 0.00 N ATOM 414 CA ALA A 40 3.773 26.987 5.774 1.00 0.00 C ATOM 415 C ALA A 40 3.080 28.321 5.645 1.00 0.00 C ATOM 416 O ALA A 40 2.896 29.039 6.631 1.00 0.00 O ATOM 417 CB ALA A 40 5.178 27.031 5.119 1.00 0.00 C ATOM 0 H ALA A 40 3.451 25.467 4.371 1.00 0.00 H new ATOM 0 HA ALA A 40 3.880 26.774 6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.770 27.821 5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.677 26.073 5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.076 27.230 4.052 1.00 0.00 H new ATOM 423 N ASN A 41 2.693 28.651 4.415 1.00 0.00 N ATOM 424 CA ASN A 41 2.015 29.912 4.138 1.00 0.00 C ATOM 425 C ASN A 41 0.511 29.763 4.373 1.00 0.00 C ATOM 426 O ASN A 41 -0.201 30.765 4.444 1.00 0.00 O ATOM 427 CB ASN A 41 2.303 30.297 2.671 1.00 0.00 C ATOM 428 CG ASN A 41 3.813 30.410 2.453 1.00 0.00 C ATOM 429 OD1 ASN A 41 4.429 29.531 1.849 1.00 0.00 O ATOM 430 ND2 ASN A 41 4.447 31.448 2.922 1.00 0.00 N ATOM 0 H ASN A 41 2.838 28.062 3.595 1.00 0.00 H new ATOM 0 HA ASN A 41 2.379 30.694 4.804 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.884 29.547 2.000 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.820 31.244 2.432 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.455 31.533 2.789 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.935 32.175 3.422 1.00 0.00 H new ATOM 437 N ALA A 42 0.024 28.512 4.480 1.00 0.00 N ATOM 438 CA ALA A 42 -1.412 28.253 4.691 1.00 0.00 C ATOM 439 C ALA A 42 -2.251 28.928 3.592 1.00 0.00 C ATOM 440 O ALA A 42 -3.157 29.716 3.876 1.00 0.00 O ATOM 441 CB ALA A 42 -1.836 28.759 6.094 1.00 0.00 C ATOM 0 H ALA A 42 0.599 27.671 4.424 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.589 27.179 4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.898 28.565 6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.260 28.238 6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.649 29.830 6.166 1.00 0.00 H new ATOM 447 N ASP A 43 -1.934 28.606 2.329 1.00 0.00 N ATOM 448 CA ASP A 43 -2.638 29.167 1.158 1.00 0.00 C ATOM 449 C ASP A 43 -3.621 28.139 0.601 1.00 0.00 C ATOM 450 O ASP A 43 -4.546 28.502 -0.124 1.00 0.00 O ATOM 451 CB ASP A 43 -1.599 29.611 0.109 1.00 0.00 C ATOM 452 CG ASP A 43 -0.638 28.459 -0.213 1.00 0.00 C ATOM 453 OD1 ASP A 43 -1.119 27.371 -0.479 1.00 0.00 O ATOM 454 OD2 ASP A 43 0.564 28.686 -0.190 1.00 0.00 O ATOM 0 H ASP A 43 -1.188 27.954 2.088 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.219 30.043 1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.106 29.935 -0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.038 30.467 0.483 1.00 0.00 H new ATOM 459 N GLN A 44 -3.417 26.863 0.956 1.00 0.00 N ATOM 460 CA GLN A 44 -4.303 25.769 0.529 1.00 0.00 C ATOM 461 C GLN A 44 -4.292 25.591 -0.980 1.00 0.00 C ATOM 462 O GLN A 44 -5.084 24.806 -1.510 1.00 0.00 O ATOM 463 CB GLN A 44 -5.760 26.012 1.035 1.00 0.00 C ATOM 464 CG GLN A 44 -5.776 26.225 2.575 1.00 0.00 C ATOM 465 CD GLN A 44 -5.411 24.927 3.292 1.00 0.00 C ATOM 466 OE1 GLN A 44 -4.403 24.856 3.996 1.00 0.00 O ATOM 467 NE2 GLN A 44 -6.183 23.891 3.133 1.00 0.00 N ATOM 0 H GLN A 44 -2.639 26.561 1.543 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.923 24.850 0.974 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.183 26.885 0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.388 25.161 0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.071 27.010 2.848 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.764 26.559 2.893 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.016 23.960 2.548 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.955 23.010 3.594 1.00 0.00 H new ATOM 476 N HIS A 45 -3.388 26.311 -1.667 1.00 0.00 N ATOM 477 CA HIS A 45 -3.250 26.230 -3.135 1.00 0.00 C ATOM 478 C HIS A 45 -1.812 25.828 -3.473 1.00 0.00 C ATOM 479 O HIS A 45 -0.868 26.293 -2.832 1.00 0.00 O ATOM 480 CB HIS A 45 -3.625 27.607 -3.802 1.00 0.00 C ATOM 481 CG HIS A 45 -2.409 28.505 -3.907 1.00 0.00 C ATOM 482 ND1 HIS A 45 -1.609 28.750 -2.821 1.00 0.00 N ATOM 483 CD2 HIS A 45 -1.818 29.160 -4.958 1.00 0.00 C ATOM 484 CE1 HIS A 45 -0.586 29.514 -3.218 1.00 0.00 C ATOM 485 NE2 HIS A 45 -0.663 29.796 -4.514 1.00 0.00 N ATOM 0 H HIS A 45 -2.737 26.961 -1.227 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.935 25.479 -3.529 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.041 27.434 -4.794 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.398 28.102 -3.214 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.191 29.179 -5.971 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.204 29.859 -2.567 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -0.014 30.358 -5.065 1.00 0.00 H new ATOM 493 N LEU A 46 -1.665 24.933 -4.448 1.00 0.00 N ATOM 494 CA LEU A 46 -0.345 24.422 -4.849 1.00 0.00 C ATOM 495 C LEU A 46 0.291 25.263 -5.946 1.00 0.00 C ATOM 496 O LEU A 46 0.001 25.079 -7.129 1.00 0.00 O ATOM 497 CB LEU A 46 -0.500 22.945 -5.340 1.00 0.00 C ATOM 498 CG LEU A 46 -0.565 21.946 -4.136 1.00 0.00 C ATOM 499 CD1 LEU A 46 0.791 21.915 -3.342 1.00 0.00 C ATOM 500 CD2 LEU A 46 -1.749 22.303 -3.188 1.00 0.00 C ATOM 0 H LEU A 46 -2.443 24.542 -4.980 1.00 0.00 H new ATOM 0 HA LEU A 46 0.313 24.472 -3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.405 22.853 -5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.339 22.685 -5.986 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.735 20.949 -4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.711 21.212 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.595 21.602 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.008 22.910 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.776 21.597 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.613 23.313 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.687 22.249 -3.741 1.00 0.00 H new ATOM 512 N ASP A 47 1.220 26.130 -5.533 1.00 0.00 N ATOM 513 CA ASP A 47 2.002 26.949 -6.453 1.00 0.00 C ATOM 514 C ASP A 47 3.318 26.213 -6.687 1.00 0.00 C ATOM 515 O ASP A 47 3.889 25.650 -5.753 1.00 0.00 O ATOM 516 CB ASP A 47 2.273 28.340 -5.844 1.00 0.00 C ATOM 517 CG ASP A 47 3.002 29.236 -6.857 1.00 0.00 C ATOM 518 OD1 ASP A 47 2.397 29.552 -7.866 1.00 0.00 O ATOM 519 OD2 ASP A 47 4.148 29.577 -6.613 1.00 0.00 O ATOM 0 H ASP A 47 1.448 26.281 -4.550 1.00 0.00 H new ATOM 0 HA ASP A 47 1.463 27.101 -7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.332 28.805 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.874 28.238 -4.941 1.00 0.00 H new ATOM 524 N PHE A 48 3.757 26.176 -7.939 1.00 0.00 N ATOM 525 CA PHE A 48 4.974 25.457 -8.334 1.00 0.00 C ATOM 526 C PHE A 48 6.138 25.702 -7.370 1.00 0.00 C ATOM 527 O PHE A 48 6.872 24.774 -7.030 1.00 0.00 O ATOM 528 CB PHE A 48 5.380 25.901 -9.770 1.00 0.00 C ATOM 529 CG PHE A 48 6.182 24.788 -10.465 1.00 0.00 C ATOM 530 CD1 PHE A 48 5.500 23.648 -10.932 1.00 0.00 C ATOM 531 CD2 PHE A 48 7.583 24.874 -10.636 1.00 0.00 C ATOM 532 CE1 PHE A 48 6.199 22.615 -11.559 1.00 0.00 C ATOM 533 CE2 PHE A 48 8.273 23.829 -11.271 1.00 0.00 C ATOM 534 CZ PHE A 48 7.581 22.703 -11.731 1.00 0.00 C ATOM 0 H PHE A 48 3.283 26.642 -8.713 1.00 0.00 H new ATOM 0 HA PHE A 48 4.755 24.390 -8.307 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.488 26.134 -10.352 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.976 26.812 -9.722 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.430 23.572 -10.804 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.120 25.740 -10.279 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.668 21.744 -11.913 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.343 23.894 -11.405 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.117 21.902 -12.219 1.00 0.00 H new ATOM 544 N ASP A 49 6.318 26.967 -6.967 1.00 0.00 N ATOM 545 CA ASP A 49 7.422 27.334 -6.078 1.00 0.00 C ATOM 546 C ASP A 49 7.431 26.459 -4.824 1.00 0.00 C ATOM 547 O ASP A 49 8.428 25.819 -4.518 1.00 0.00 O ATOM 548 CB ASP A 49 7.261 28.822 -5.674 1.00 0.00 C ATOM 549 CG ASP A 49 8.426 29.289 -4.781 1.00 0.00 C ATOM 550 OD1 ASP A 49 9.530 29.376 -5.288 1.00 0.00 O ATOM 551 OD2 ASP A 49 8.192 29.541 -3.608 1.00 0.00 O ATOM 0 H ASP A 49 5.718 27.745 -7.241 1.00 0.00 H new ATOM 0 HA ASP A 49 8.365 27.182 -6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.216 29.441 -6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.318 28.957 -5.145 1.00 0.00 H new ATOM 556 N GLU A 50 6.302 26.442 -4.109 1.00 0.00 N ATOM 557 CA GLU A 50 6.189 25.654 -2.879 1.00 0.00 C ATOM 558 C GLU A 50 6.458 24.175 -3.163 1.00 0.00 C ATOM 559 O GLU A 50 7.253 23.546 -2.478 1.00 0.00 O ATOM 560 CB GLU A 50 4.770 25.818 -2.267 1.00 0.00 C ATOM 561 CG GLU A 50 4.688 25.146 -0.860 1.00 0.00 C ATOM 562 CD GLU A 50 3.292 25.290 -0.246 1.00 0.00 C ATOM 563 OE1 GLU A 50 2.525 26.119 -0.712 1.00 0.00 O ATOM 564 OE2 GLU A 50 3.014 24.557 0.689 1.00 0.00 O ATOM 0 H GLU A 50 5.460 26.961 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 50 6.932 26.018 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.526 26.877 -2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.030 25.372 -2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.941 24.089 -0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.426 25.598 -0.197 1.00 0.00 H new ATOM 571 N TRP A 51 5.794 23.636 -4.190 1.00 0.00 N ATOM 572 CA TRP A 51 5.966 22.224 -4.549 1.00 0.00 C ATOM 573 C TRP A 51 7.439 21.923 -4.864 1.00 0.00 C ATOM 574 O TRP A 51 8.055 21.059 -4.238 1.00 0.00 O ATOM 575 CB TRP A 51 5.080 21.890 -5.772 1.00 0.00 C ATOM 576 CG TRP A 51 5.198 20.427 -6.113 1.00 0.00 C ATOM 577 CD1 TRP A 51 6.140 19.889 -6.917 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.385 19.322 -5.639 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.940 18.529 -6.990 1.00 0.00 N ATOM 580 CE2 TRP A 51 4.868 18.131 -6.223 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.280 19.238 -4.779 1.00 0.00 C ATOM 582 CZ2 TRP A 51 4.278 16.897 -5.966 1.00 0.00 C ATOM 583 CZ3 TRP A 51 2.680 17.991 -4.520 1.00 0.00 C ATOM 584 CH2 TRP A 51 3.176 16.825 -5.115 1.00 0.00 C ATOM 0 H TRP A 51 5.140 24.148 -4.782 1.00 0.00 H new ATOM 0 HA TRP A 51 5.664 21.605 -3.704 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.041 22.138 -5.557 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.382 22.496 -6.626 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.923 20.437 -7.421 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.515 17.894 -7.544 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.889 20.131 -4.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.671 16.001 -6.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.830 17.933 -3.857 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.707 15.873 -4.916 1.00 0.00 H new ATOM 595 N ARG A 52 7.975 22.621 -5.867 1.00 0.00 N ATOM 596 CA ARG A 52 9.356 22.408 -6.302 1.00 0.00 C ATOM 597 C ARG A 52 10.345 22.524 -5.143 1.00 0.00 C ATOM 598 O ARG A 52 11.119 21.621 -4.898 1.00 0.00 O ATOM 599 CB ARG A 52 9.740 23.469 -7.382 1.00 0.00 C ATOM 600 CG ARG A 52 11.150 23.163 -8.005 1.00 0.00 C ATOM 601 CD ARG A 52 11.614 24.307 -8.928 1.00 0.00 C ATOM 602 NE ARG A 52 11.874 25.510 -8.118 1.00 0.00 N ATOM 603 CZ ARG A 52 12.299 26.659 -8.664 1.00 0.00 C ATOM 604 NH1 ARG A 52 12.494 26.743 -9.954 1.00 0.00 N ATOM 605 NH2 ARG A 52 12.521 27.695 -7.902 1.00 0.00 N ATOM 0 H ARG A 52 7.474 23.338 -6.392 1.00 0.00 H new ATOM 0 HA ARG A 52 9.413 21.399 -6.710 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.986 23.479 -8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.746 24.462 -6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.879 23.018 -7.207 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.106 22.232 -8.570 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.516 24.014 -9.465 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.851 24.517 -9.678 1.00 0.00 H new ATOM 0 HE ARG A 52 11.726 25.468 -7.110 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.323 25.933 -10.549 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.817 27.619 -10.365 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.371 27.629 -6.895 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.844 28.571 -8.313 1.00 0.00 H new ATOM 619 N GLN A 53 10.287 23.643 -4.437 1.00 0.00 N ATOM 620 CA GLN A 53 11.200 23.901 -3.318 1.00 0.00 C ATOM 621 C GLN A 53 11.020 22.881 -2.193 1.00 0.00 C ATOM 622 O GLN A 53 12.002 22.391 -1.634 1.00 0.00 O ATOM 623 CB GLN A 53 10.945 25.328 -2.783 1.00 0.00 C ATOM 624 CG GLN A 53 11.334 26.391 -3.849 1.00 0.00 C ATOM 625 CD GLN A 53 10.984 27.796 -3.351 1.00 0.00 C ATOM 626 OE1 GLN A 53 9.984 27.976 -2.653 1.00 0.00 O ATOM 627 NE2 GLN A 53 11.749 28.799 -3.671 1.00 0.00 N ATOM 0 H GLN A 53 9.618 24.392 -4.614 1.00 0.00 H new ATOM 0 HA GLN A 53 12.224 23.810 -3.679 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.894 25.440 -2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.523 25.490 -1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.401 26.329 -4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.810 26.188 -4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.576 28.646 -4.249 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.522 29.738 -3.344 1.00 0.00 H new ATOM 636 N GLU A 54 9.763 22.593 -1.850 1.00 0.00 N ATOM 637 CA GLU A 54 9.464 21.657 -0.754 1.00 0.00 C ATOM 638 C GLU A 54 10.016 20.260 -1.050 1.00 0.00 C ATOM 639 O GLU A 54 10.738 19.683 -0.234 1.00 0.00 O ATOM 640 CB GLU A 54 7.923 21.575 -0.529 1.00 0.00 C ATOM 641 CG GLU A 54 7.556 20.619 0.652 1.00 0.00 C ATOM 642 CD GLU A 54 8.124 21.142 1.979 1.00 0.00 C ATOM 643 OE1 GLU A 54 8.234 22.351 2.122 1.00 0.00 O ATOM 644 OE2 GLU A 54 8.462 20.325 2.819 1.00 0.00 O ATOM 0 H GLU A 54 8.941 22.987 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 54 9.947 22.031 0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.533 22.572 -0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.441 21.226 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.472 20.527 0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.948 19.622 0.452 1.00 0.00 H new ATOM 651 N LEU A 55 9.645 19.715 -2.207 1.00 0.00 N ATOM 652 CA LEU A 55 10.074 18.369 -2.591 1.00 0.00 C ATOM 653 C LEU A 55 11.556 18.325 -2.911 1.00 0.00 C ATOM 654 O LEU A 55 12.209 17.326 -2.654 1.00 0.00 O ATOM 655 CB LEU A 55 9.249 17.849 -3.819 1.00 0.00 C ATOM 656 CG LEU A 55 7.884 17.201 -3.385 1.00 0.00 C ATOM 657 CD1 LEU A 55 6.887 18.280 -2.892 1.00 0.00 C ATOM 658 CD2 LEU A 55 7.298 16.392 -4.573 1.00 0.00 C ATOM 0 H LEU A 55 9.051 20.181 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 55 9.890 17.717 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.056 18.677 -4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.840 17.115 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 55 8.060 16.523 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.952 17.804 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.312 18.804 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.695 18.992 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.351 15.942 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.132 17.058 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.999 15.608 -4.860 1.00 0.00 H new ATOM 670 N LYS A 56 12.070 19.352 -3.568 1.00 0.00 N ATOM 671 CA LYS A 56 13.472 19.340 -4.001 1.00 0.00 C ATOM 672 C LYS A 56 14.448 18.956 -2.882 1.00 0.00 C ATOM 673 O LYS A 56 15.328 18.109 -3.089 1.00 0.00 O ATOM 674 CB LYS A 56 13.839 20.729 -4.563 1.00 0.00 C ATOM 675 CG LYS A 56 15.307 20.773 -5.082 1.00 0.00 C ATOM 676 CD LYS A 56 15.628 22.155 -5.745 1.00 0.00 C ATOM 677 CE LYS A 56 15.197 22.173 -7.226 1.00 0.00 C ATOM 678 NZ LYS A 56 15.451 23.522 -7.780 1.00 0.00 N ATOM 0 H LYS A 56 11.553 20.196 -3.814 1.00 0.00 H new ATOM 0 HA LYS A 56 13.567 18.573 -4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.158 20.984 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.705 21.482 -3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.994 20.594 -4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.465 19.973 -5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.114 22.950 -5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 56 16.696 22.358 -5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.752 21.423 -7.790 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.140 21.921 -7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.781 23.712 -8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.327 24.234 -7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.424 23.570 -8.145 1.00 0.00 H new ATOM 692 N CYS A 57 14.299 19.573 -1.710 1.00 0.00 N ATOM 693 CA CYS A 57 15.186 19.305 -0.582 1.00 0.00 C ATOM 694 C CYS A 57 15.128 17.838 -0.149 1.00 0.00 C ATOM 695 O CYS A 57 15.925 17.403 0.681 1.00 0.00 O ATOM 696 CB CYS A 57 14.779 20.228 0.587 1.00 0.00 C ATOM 697 SG CYS A 57 14.822 21.951 0.030 1.00 0.00 S ATOM 0 H CYS A 57 13.572 20.262 -1.519 1.00 0.00 H new ATOM 0 HA CYS A 57 16.214 19.505 -0.884 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.779 19.972 0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.457 20.089 1.429 1.00 0.00 H new ATOM 0 HG CYS A 57 13.742 22.217 -0.643 1.00 0.00 H new ATOM 703 N ARG A 58 14.172 17.085 -0.707 1.00 0.00 N ATOM 704 CA ARG A 58 13.987 15.661 -0.368 1.00 0.00 C ATOM 705 C ARG A 58 14.850 14.779 -1.262 1.00 0.00 C ATOM 706 O ARG A 58 14.611 13.577 -1.364 1.00 0.00 O ATOM 707 CB ARG A 58 12.486 15.280 -0.517 1.00 0.00 C ATOM 708 CG ARG A 58 11.575 16.281 0.263 1.00 0.00 C ATOM 709 CD ARG A 58 11.864 16.236 1.784 1.00 0.00 C ATOM 710 NE ARG A 58 10.832 16.971 2.527 1.00 0.00 N ATOM 711 CZ ARG A 58 10.806 16.979 3.870 1.00 0.00 C ATOM 712 NH1 ARG A 58 11.714 16.319 4.549 1.00 0.00 N ATOM 713 NH2 ARG A 58 9.878 17.641 4.500 1.00 0.00 N ATOM 0 H ARG A 58 13.510 17.437 -1.399 1.00 0.00 H new ATOM 0 HA ARG A 58 14.296 15.501 0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.211 15.278 -1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.325 14.269 -0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.738 17.292 -0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.528 16.040 0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.896 15.201 2.123 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.844 16.669 1.987 1.00 0.00 H new ATOM 0 HE ARG A 58 10.119 17.487 2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.441 15.799 4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.693 16.326 5.569 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.171 18.154 3.974 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.859 17.647 5.520 1.00 0.00 H new ATOM 727 N GLY A 59 15.865 15.381 -1.899 1.00 0.00 N ATOM 728 CA GLY A 59 16.786 14.643 -2.778 1.00 0.00 C ATOM 729 C GLY A 59 16.225 14.518 -4.183 1.00 0.00 C ATOM 730 O GLY A 59 16.764 13.772 -5.003 1.00 0.00 O ATOM 0 H GLY A 59 16.070 16.377 -1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.748 15.155 -2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.968 13.650 -2.367 1.00 0.00 H new ATOM 734 N HIS A 60 15.144 15.259 -4.467 1.00 0.00 N ATOM 735 CA HIS A 60 14.499 15.241 -5.799 1.00 0.00 C ATOM 736 C HIS A 60 15.002 16.429 -6.618 1.00 0.00 C ATOM 737 O HIS A 60 15.326 17.475 -6.063 1.00 0.00 O ATOM 738 CB HIS A 60 12.960 15.327 -5.639 1.00 0.00 C ATOM 739 CG HIS A 60 12.466 14.171 -4.814 1.00 0.00 C ATOM 740 ND1 HIS A 60 13.051 12.918 -4.878 1.00 0.00 N ATOM 741 CD2 HIS A 60 11.442 14.062 -3.908 1.00 0.00 C ATOM 742 CE1 HIS A 60 12.382 12.115 -4.033 1.00 0.00 C ATOM 743 NE2 HIS A 60 11.392 12.763 -3.415 1.00 0.00 N ATOM 0 H HIS A 60 14.694 15.880 -3.795 1.00 0.00 H new ATOM 0 HA HIS A 60 14.750 14.313 -6.312 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.687 16.268 -5.162 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.483 15.316 -6.619 1.00 0.00 H new ATOM 0 HD2 HIS A 60 10.776 14.863 -3.621 1.00 0.00 H new ATOM 0 HE1 HIS A 60 12.617 11.073 -3.874 1.00 0.00 H new ATOM 0 HE2 HIS A 60 10.739 12.386 -2.728 1.00 0.00 H new ATOM 751 N ALA A 61 15.082 16.261 -7.944 1.00 0.00 N ATOM 752 CA ALA A 61 15.551 17.326 -8.848 1.00 0.00 C ATOM 753 C ALA A 61 14.377 18.223 -9.261 1.00 0.00 C ATOM 754 O ALA A 61 13.224 17.932 -8.953 1.00 0.00 O ATOM 755 CB ALA A 61 16.186 16.676 -10.093 1.00 0.00 C ATOM 0 H ALA A 61 14.827 15.395 -8.419 1.00 0.00 H new ATOM 0 HA ALA A 61 16.291 17.943 -8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.537 17.454 -10.771 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.027 16.053 -9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.443 16.061 -10.601 1.00 0.00 H new ATOM 761 N ASP A 62 14.692 19.320 -9.960 1.00 0.00 N ATOM 762 CA ASP A 62 13.676 20.280 -10.436 1.00 0.00 C ATOM 763 C ASP A 62 12.916 19.729 -11.658 1.00 0.00 C ATOM 764 O ASP A 62 11.753 20.059 -11.874 1.00 0.00 O ATOM 765 CB ASP A 62 14.367 21.612 -10.823 1.00 0.00 C ATOM 766 CG ASP A 62 15.423 21.369 -11.908 1.00 0.00 C ATOM 767 OD1 ASP A 62 16.186 20.426 -11.760 1.00 0.00 O ATOM 768 OD2 ASP A 62 15.448 22.120 -12.869 1.00 0.00 O ATOM 0 H ASP A 62 15.648 19.570 -10.212 1.00 0.00 H new ATOM 0 HA ASP A 62 12.960 20.446 -9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.624 22.324 -11.182 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.835 22.056 -9.944 1.00 0.00 H new ATOM 773 N ALA A 63 13.608 18.930 -12.481 1.00 0.00 N ATOM 774 CA ALA A 63 13.016 18.343 -13.702 1.00 0.00 C ATOM 775 C ALA A 63 12.133 17.118 -13.404 1.00 0.00 C ATOM 776 O ALA A 63 11.061 16.948 -13.999 1.00 0.00 O ATOM 777 CB ALA A 63 14.153 17.945 -14.672 1.00 0.00 C ATOM 0 H ALA A 63 14.583 18.671 -12.327 1.00 0.00 H new ATOM 0 HA ALA A 63 12.370 19.097 -14.153 1.00 0.00 H new ATOM 0 HB1 ALA A 63 13.725 17.511 -15.576 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.734 18.829 -14.934 1.00 0.00 H new ATOM 0 HB3 ALA A 63 14.803 17.214 -14.191 1.00 0.00 H new ATOM 783 N ASP A 64 12.619 16.229 -12.516 1.00 0.00 N ATOM 784 CA ASP A 64 11.919 14.981 -12.188 1.00 0.00 C ATOM 785 C ASP A 64 10.531 15.235 -11.592 1.00 0.00 C ATOM 786 O ASP A 64 9.569 14.544 -11.933 1.00 0.00 O ATOM 787 CB ASP A 64 12.782 14.182 -11.169 1.00 0.00 C ATOM 788 CG ASP A 64 14.148 13.804 -11.761 1.00 0.00 C ATOM 789 OD1 ASP A 64 14.243 13.671 -12.972 1.00 0.00 O ATOM 790 OD2 ASP A 64 15.080 13.643 -10.988 1.00 0.00 O ATOM 0 H ASP A 64 13.497 16.357 -12.014 1.00 0.00 H new ATOM 0 HA ASP A 64 11.778 14.416 -13.110 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.927 14.778 -10.268 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.251 13.278 -10.871 1.00 0.00 H new ATOM 795 N ILE A 65 10.436 16.227 -10.711 1.00 0.00 N ATOM 796 CA ILE A 65 9.170 16.581 -10.064 1.00 0.00 C ATOM 797 C ILE A 65 8.202 17.202 -11.076 1.00 0.00 C ATOM 798 O ILE A 65 6.994 17.123 -10.902 1.00 0.00 O ATOM 799 CB ILE A 65 9.451 17.605 -8.900 1.00 0.00 C ATOM 800 CG1 ILE A 65 10.225 18.886 -9.447 1.00 0.00 C ATOM 801 CG2 ILE A 65 10.315 16.901 -7.811 1.00 0.00 C ATOM 802 CD1 ILE A 65 9.289 20.074 -9.756 1.00 0.00 C ATOM 0 H ILE A 65 11.226 16.806 -10.425 1.00 0.00 H new ATOM 0 HA ILE A 65 8.714 15.677 -9.660 1.00 0.00 H new ATOM 0 HB ILE A 65 8.501 17.933 -8.478 1.00 0.00 H new ATOM 0 HG12 ILE A 65 10.966 19.197 -8.711 1.00 0.00 H new ATOM 0 HG13 ILE A 65 10.769 18.615 -10.352 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.517 17.600 -6.999 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.776 16.037 -7.421 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.257 16.573 -8.250 1.00 0.00 H new ATOM 0 HD11 ILE A 65 9.877 20.914 -10.124 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.564 19.778 -10.514 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.764 20.369 -8.848 1.00 0.00 H new ATOM 814 N GLU A 66 8.748 17.852 -12.117 1.00 0.00 N ATOM 815 CA GLU A 66 7.917 18.531 -13.132 1.00 0.00 C ATOM 816 C GLU A 66 7.087 17.530 -13.945 1.00 0.00 C ATOM 817 O GLU A 66 5.911 17.770 -14.221 1.00 0.00 O ATOM 818 CB GLU A 66 8.810 19.369 -14.095 1.00 0.00 C ATOM 819 CG GLU A 66 7.937 20.254 -15.046 1.00 0.00 C ATOM 820 CD GLU A 66 8.805 21.108 -15.980 1.00 0.00 C ATOM 821 OE1 GLU A 66 9.984 20.813 -16.117 1.00 0.00 O ATOM 822 OE2 GLU A 66 8.267 22.037 -16.556 1.00 0.00 O ATOM 0 H GLU A 66 9.752 17.923 -12.280 1.00 0.00 H new ATOM 0 HA GLU A 66 7.232 19.192 -12.601 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.479 20.004 -13.515 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.437 18.702 -14.687 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.283 19.615 -15.640 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.294 20.903 -14.451 1.00 0.00 H new ATOM 829 N ALA A 67 7.725 16.426 -14.347 1.00 0.00 N ATOM 830 CA ALA A 67 7.059 15.400 -15.170 1.00 0.00 C ATOM 831 C ALA A 67 5.835 14.800 -14.460 1.00 0.00 C ATOM 832 O ALA A 67 4.746 14.721 -15.033 1.00 0.00 O ATOM 833 CB ALA A 67 8.072 14.280 -15.501 1.00 0.00 C ATOM 0 H ALA A 67 8.697 16.217 -14.120 1.00 0.00 H new ATOM 0 HA ALA A 67 6.706 15.876 -16.085 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.586 13.518 -16.110 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.913 14.701 -16.051 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.432 13.830 -14.576 1.00 0.00 H new ATOM 839 N VAL A 68 6.032 14.386 -13.208 1.00 0.00 N ATOM 840 CA VAL A 68 4.962 13.786 -12.398 1.00 0.00 C ATOM 841 C VAL A 68 3.955 14.845 -11.960 1.00 0.00 C ATOM 842 O VAL A 68 2.777 14.535 -11.769 1.00 0.00 O ATOM 843 CB VAL A 68 5.590 13.089 -11.147 1.00 0.00 C ATOM 844 CG1 VAL A 68 6.573 11.974 -11.611 1.00 0.00 C ATOM 845 CG2 VAL A 68 6.364 14.128 -10.284 1.00 0.00 C ATOM 0 H VAL A 68 6.929 14.454 -12.726 1.00 0.00 H new ATOM 0 HA VAL A 68 4.434 13.047 -13.001 1.00 0.00 H new ATOM 0 HB VAL A 68 4.790 12.652 -10.549 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.010 11.489 -10.739 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.033 11.236 -12.204 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.365 12.416 -12.216 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.796 13.630 -9.416 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.160 14.575 -10.880 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.678 14.907 -9.951 1.00 0.00 H new ATOM 855 N PHE A 69 4.421 16.096 -11.789 1.00 0.00 N ATOM 856 CA PHE A 69 3.547 17.188 -11.355 1.00 0.00 C ATOM 857 C PHE A 69 2.659 17.638 -12.520 1.00 0.00 C ATOM 858 O PHE A 69 1.435 17.577 -12.423 1.00 0.00 O ATOM 859 CB PHE A 69 4.393 18.372 -10.838 1.00 0.00 C ATOM 860 CG PHE A 69 3.471 19.557 -10.484 1.00 0.00 C ATOM 861 CD1 PHE A 69 2.874 19.635 -9.209 1.00 0.00 C ATOM 862 CD2 PHE A 69 3.183 20.548 -11.449 1.00 0.00 C ATOM 863 CE1 PHE A 69 2.010 20.689 -8.904 1.00 0.00 C ATOM 864 CE2 PHE A 69 2.322 21.604 -11.137 1.00 0.00 C ATOM 865 CZ PHE A 69 1.736 21.677 -9.865 1.00 0.00 C ATOM 0 H PHE A 69 5.391 16.369 -11.945 1.00 0.00 H new ATOM 0 HA PHE A 69 2.911 16.834 -10.543 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.963 18.068 -9.960 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.114 18.675 -11.597 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.085 18.879 -8.467 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.629 20.489 -12.431 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.552 20.745 -7.928 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.108 22.363 -11.875 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.073 22.494 -9.623 1.00 0.00 H new ATOM 875 N ALA A 70 3.278 18.165 -13.604 1.00 0.00 N ATOM 876 CA ALA A 70 2.535 18.703 -14.774 1.00 0.00 C ATOM 877 C ALA A 70 1.317 17.835 -15.143 1.00 0.00 C ATOM 878 O ALA A 70 0.335 18.322 -15.699 1.00 0.00 O ATOM 879 CB ALA A 70 3.499 18.803 -15.981 1.00 0.00 C ATOM 0 H ALA A 70 4.292 18.230 -13.694 1.00 0.00 H new ATOM 0 HA ALA A 70 2.155 19.689 -14.508 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.962 19.197 -16.844 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.325 19.469 -15.733 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.890 17.813 -16.218 1.00 0.00 H new ATOM 885 N LYS A 71 1.388 16.568 -14.768 1.00 0.00 N ATOM 886 CA LYS A 71 0.324 15.580 -14.957 1.00 0.00 C ATOM 887 C LYS A 71 -0.993 16.040 -14.293 1.00 0.00 C ATOM 888 O LYS A 71 -2.050 15.453 -14.519 1.00 0.00 O ATOM 889 CB LYS A 71 0.757 14.212 -14.337 1.00 0.00 C ATOM 890 CG LYS A 71 -0.083 13.033 -14.937 1.00 0.00 C ATOM 891 CD LYS A 71 0.052 11.736 -14.091 1.00 0.00 C ATOM 892 CE LYS A 71 1.517 11.237 -14.038 1.00 0.00 C ATOM 893 NZ LYS A 71 1.518 9.841 -13.524 1.00 0.00 N ATOM 0 H LYS A 71 2.212 16.181 -14.308 1.00 0.00 H new ATOM 0 HA LYS A 71 0.154 15.471 -16.028 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.817 14.042 -14.527 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.628 14.242 -13.255 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.132 13.325 -14.990 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.245 12.836 -15.958 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.306 11.923 -13.078 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.583 10.958 -14.514 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.967 11.277 -15.030 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.114 11.880 -13.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.495 9.488 -13.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.101 9.821 -12.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.959 9.237 -14.159 1.00 0.00 H new ATOM 907 N TYR A 72 -0.910 17.103 -13.487 1.00 0.00 N ATOM 908 CA TYR A 72 -2.084 17.661 -12.783 1.00 0.00 C ATOM 909 C TYR A 72 -2.458 19.016 -13.351 1.00 0.00 C ATOM 910 O TYR A 72 -3.529 19.510 -13.046 1.00 0.00 O ATOM 911 CB TYR A 72 -1.779 17.771 -11.268 1.00 0.00 C ATOM 912 CG TYR A 72 -1.549 16.355 -10.697 1.00 0.00 C ATOM 913 CD1 TYR A 72 -2.638 15.465 -10.594 1.00 0.00 C ATOM 914 CD2 TYR A 72 -0.270 15.924 -10.288 1.00 0.00 C ATOM 915 CE1 TYR A 72 -2.444 14.172 -10.091 1.00 0.00 C ATOM 916 CE2 TYR A 72 -0.085 14.633 -9.783 1.00 0.00 C ATOM 917 CZ TYR A 72 -1.170 13.759 -9.685 1.00 0.00 C ATOM 918 OH TYR A 72 -0.988 12.485 -9.192 1.00 0.00 O ATOM 0 H TYR A 72 -0.040 17.601 -13.301 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.932 16.992 -12.928 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.897 18.390 -11.106 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.608 18.255 -10.751 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.623 15.781 -10.903 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.572 16.595 -10.365 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.280 13.492 -10.016 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.897 14.312 -9.469 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.045 12.357 -8.956 1.00 0.00 H new ATOM 928 N ASP A 73 -1.609 19.585 -14.221 1.00 0.00 N ATOM 929 CA ASP A 73 -1.906 20.884 -14.860 1.00 0.00 C ATOM 930 C ASP A 73 -2.685 20.642 -16.157 1.00 0.00 C ATOM 931 O ASP A 73 -2.204 20.929 -17.257 1.00 0.00 O ATOM 932 CB ASP A 73 -0.585 21.657 -15.142 1.00 0.00 C ATOM 933 CG ASP A 73 -0.866 23.090 -15.635 1.00 0.00 C ATOM 934 OD1 ASP A 73 -2.016 23.513 -15.598 1.00 0.00 O ATOM 935 OD2 ASP A 73 0.078 23.744 -16.041 1.00 0.00 O ATOM 0 H ASP A 73 -0.718 19.173 -14.499 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.515 21.492 -14.190 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.017 21.694 -14.234 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.001 21.121 -15.890 1.00 0.00 H new ATOM 940 N VAL A 74 -3.884 20.056 -16.021 1.00 0.00 N ATOM 941 CA VAL A 74 -4.717 19.713 -17.188 1.00 0.00 C ATOM 942 C VAL A 74 -5.000 20.962 -18.028 1.00 0.00 C ATOM 943 O VAL A 74 -4.908 20.920 -19.258 1.00 0.00 O ATOM 944 CB VAL A 74 -6.070 19.084 -16.718 1.00 0.00 C ATOM 945 CG1 VAL A 74 -6.937 18.643 -17.944 1.00 0.00 C ATOM 946 CG2 VAL A 74 -5.793 17.859 -15.805 1.00 0.00 C ATOM 0 H VAL A 74 -4.298 19.810 -15.122 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.174 18.990 -17.797 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.622 19.839 -16.158 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.872 18.209 -17.591 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.152 19.510 -18.568 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.391 17.902 -18.528 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.739 17.425 -15.481 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.223 17.113 -16.359 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.222 18.177 -14.933 1.00 0.00 H new ATOM 956 N ASP A 75 -5.356 22.062 -17.359 1.00 0.00 N ATOM 957 CA ASP A 75 -5.669 23.309 -18.054 1.00 0.00 C ATOM 958 C ASP A 75 -4.403 23.917 -18.648 1.00 0.00 C ATOM 959 O ASP A 75 -4.486 24.821 -19.480 1.00 0.00 O ATOM 960 CB ASP A 75 -6.314 24.292 -17.044 1.00 0.00 C ATOM 961 CG ASP A 75 -7.617 23.703 -16.488 1.00 0.00 C ATOM 962 OD1 ASP A 75 -8.358 23.120 -17.264 1.00 0.00 O ATOM 963 OD2 ASP A 75 -7.856 23.844 -15.298 1.00 0.00 O ATOM 0 H ASP A 75 -5.434 22.113 -16.343 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.364 23.110 -18.870 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.620 24.493 -16.228 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.517 25.245 -17.532 1.00 0.00 H new ATOM 968 N GLY A 76 -3.221 23.431 -18.229 1.00 0.00 N ATOM 969 CA GLY A 76 -1.952 23.958 -18.739 1.00 0.00 C ATOM 970 C GLY A 76 -1.751 25.400 -18.280 1.00 0.00 C ATOM 971 O GLY A 76 -0.929 26.125 -18.842 1.00 0.00 O ATOM 0 H GLY A 76 -3.123 22.681 -17.545 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.126 23.339 -18.387 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.943 23.912 -19.828 1.00 0.00 H new ATOM 975 N ASP A 77 -2.518 25.819 -17.246 1.00 0.00 N ATOM 976 CA ASP A 77 -2.426 27.201 -16.718 1.00 0.00 C ATOM 977 C ASP A 77 -1.381 27.280 -15.599 1.00 0.00 C ATOM 978 O ASP A 77 -0.978 28.375 -15.221 1.00 0.00 O ATOM 979 CB ASP A 77 -3.820 27.629 -16.193 1.00 0.00 C ATOM 980 CG ASP A 77 -4.820 27.789 -17.350 1.00 0.00 C ATOM 981 OD1 ASP A 77 -4.734 27.021 -18.293 1.00 0.00 O ATOM 982 OD2 ASP A 77 -5.649 28.682 -17.276 1.00 0.00 O ATOM 0 H ASP A 77 -3.198 25.229 -16.766 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.113 27.877 -17.514 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.191 26.885 -15.488 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.734 28.570 -15.649 1.00 0.00 H new ATOM 987 N ARG A 78 -0.975 26.115 -15.076 1.00 0.00 N ATOM 988 CA ARG A 78 0.035 26.023 -13.999 1.00 0.00 C ATOM 989 C ARG A 78 -0.492 26.594 -12.669 1.00 0.00 C ATOM 990 O ARG A 78 0.246 27.256 -11.932 1.00 0.00 O ATOM 991 CB ARG A 78 1.347 26.757 -14.410 1.00 0.00 C ATOM 992 CG ARG A 78 1.861 26.214 -15.771 1.00 0.00 C ATOM 993 CD ARG A 78 3.102 27.013 -16.216 1.00 0.00 C ATOM 994 NE ARG A 78 4.149 26.898 -15.195 1.00 0.00 N ATOM 995 CZ ARG A 78 5.323 27.532 -15.300 1.00 0.00 C ATOM 996 NH1 ARG A 78 5.578 28.290 -16.337 1.00 0.00 N ATOM 997 NH2 ARG A 78 6.212 27.396 -14.358 1.00 0.00 N ATOM 0 H ARG A 78 -1.332 25.210 -15.382 1.00 0.00 H new ATOM 0 HA ARG A 78 0.249 24.965 -13.849 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.165 27.829 -14.483 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.108 26.615 -13.643 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.111 25.157 -15.680 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.077 26.293 -16.524 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.467 26.636 -17.171 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.839 28.060 -16.366 1.00 0.00 H new ATOM 0 HE ARG A 78 3.976 26.314 -14.376 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.879 28.401 -17.072 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.475 28.770 -16.410 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.011 26.810 -13.548 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.109 27.876 -14.430 1.00 0.00 H new ATOM 1011 N VAL A 79 -1.757 26.304 -12.347 1.00 0.00 N ATOM 1012 CA VAL A 79 -2.377 26.753 -11.080 1.00 0.00 C ATOM 1013 C VAL A 79 -3.351 25.674 -10.642 1.00 0.00 C ATOM 1014 O VAL A 79 -4.288 25.381 -11.369 1.00 0.00 O ATOM 1015 CB VAL A 79 -3.104 28.114 -11.293 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -4.287 27.984 -12.326 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -3.641 28.657 -9.932 1.00 0.00 C ATOM 0 H VAL A 79 -2.379 25.759 -12.944 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.622 26.907 -10.309 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.378 28.817 -11.701 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.771 28.953 -12.449 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.896 27.649 -13.287 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.014 27.260 -11.958 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.147 29.609 -10.094 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.343 27.940 -9.506 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.808 28.802 -9.244 1.00 0.00 H new ATOM 1027 N LEU A 80 -3.119 25.094 -9.460 1.00 0.00 N ATOM 1028 CA LEU A 80 -3.968 24.024 -8.936 1.00 0.00 C ATOM 1029 C LEU A 80 -4.317 24.294 -7.480 1.00 0.00 C ATOM 1030 O LEU A 80 -3.508 24.077 -6.578 1.00 0.00 O ATOM 1031 CB LEU A 80 -3.225 22.657 -9.076 1.00 0.00 C ATOM 1032 CG LEU A 80 -2.988 22.226 -10.590 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -4.320 22.239 -11.402 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -1.860 23.069 -11.309 1.00 0.00 C ATOM 0 H LEU A 80 -2.346 25.351 -8.847 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.895 23.986 -9.507 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.263 22.720 -8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.803 21.883 -8.571 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.622 21.200 -10.559 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.122 21.940 -12.431 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.027 21.543 -10.952 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.743 23.244 -11.391 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.749 22.725 -12.337 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.137 24.123 -11.307 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.916 22.940 -10.779 1.00 0.00 H new ATOM 1046 N ASP A 81 -5.557 24.753 -7.264 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.076 25.038 -5.944 1.00 0.00 C ATOM 1048 C ASP A 81 -6.667 23.762 -5.345 1.00 0.00 C ATOM 1049 O ASP A 81 -6.471 22.658 -5.865 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.145 26.163 -6.064 1.00 0.00 C ATOM 1051 CG ASP A 81 -8.227 25.801 -7.086 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -7.963 24.999 -7.967 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -9.304 26.359 -6.984 1.00 0.00 O ATOM 0 H ASP A 81 -6.224 24.934 -8.014 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.282 25.381 -5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.605 26.335 -5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.663 27.095 -6.358 1.00 0.00 H new ATOM 1058 N ALA A 82 -7.379 23.923 -4.245 1.00 0.00 N ATOM 1059 CA ALA A 82 -8.023 22.825 -3.525 1.00 0.00 C ATOM 1060 C ALA A 82 -8.966 21.994 -4.420 1.00 0.00 C ATOM 1061 O ALA A 82 -9.395 20.919 -4.031 1.00 0.00 O ATOM 1062 CB ALA A 82 -8.799 23.387 -2.321 1.00 0.00 C ATOM 0 H ALA A 82 -7.532 24.835 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.236 22.151 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.279 22.569 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.110 23.904 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.558 24.086 -2.672 1.00 0.00 H new ATOM 1068 N GLU A 83 -9.297 22.520 -5.599 1.00 0.00 N ATOM 1069 CA GLU A 83 -10.222 21.840 -6.531 1.00 0.00 C ATOM 1070 C GLU A 83 -9.640 20.515 -7.059 1.00 0.00 C ATOM 1071 O GLU A 83 -10.226 19.449 -6.868 1.00 0.00 O ATOM 1072 CB GLU A 83 -10.514 22.806 -7.710 1.00 0.00 C ATOM 1073 CG GLU A 83 -11.300 24.059 -7.218 1.00 0.00 C ATOM 1074 CD GLU A 83 -12.738 23.680 -6.826 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -13.427 23.136 -7.673 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -13.117 23.920 -5.691 1.00 0.00 O ATOM 0 H GLU A 83 -8.943 23.414 -5.939 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.140 21.590 -5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.577 23.117 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.090 22.288 -8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.789 24.502 -6.363 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.319 24.814 -8.004 1.00 0.00 H new ATOM 1083 N GLU A 84 -8.491 20.595 -7.726 1.00 0.00 N ATOM 1084 CA GLU A 84 -7.801 19.422 -8.301 1.00 0.00 C ATOM 1085 C GLU A 84 -6.968 18.722 -7.233 1.00 0.00 C ATOM 1086 O GLU A 84 -6.610 17.550 -7.381 1.00 0.00 O ATOM 1087 CB GLU A 84 -6.916 19.828 -9.506 1.00 0.00 C ATOM 1088 CG GLU A 84 -7.799 20.387 -10.670 1.00 0.00 C ATOM 1089 CD GLU A 84 -6.969 20.620 -11.940 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -6.162 19.760 -12.260 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -7.128 21.665 -12.553 1.00 0.00 O ATOM 0 H GLU A 84 -8.003 21.476 -7.889 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.558 18.727 -8.664 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.193 20.582 -9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.348 18.966 -9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.607 19.687 -10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.263 21.323 -10.360 1.00 0.00 H new ATOM 1098 N GLN A 85 -6.655 19.443 -6.149 1.00 0.00 N ATOM 1099 CA GLN A 85 -5.856 18.862 -5.054 1.00 0.00 C ATOM 1100 C GLN A 85 -6.540 17.594 -4.504 1.00 0.00 C ATOM 1101 O GLN A 85 -5.875 16.641 -4.112 1.00 0.00 O ATOM 1102 CB GLN A 85 -5.675 19.896 -3.919 1.00 0.00 C ATOM 1103 CG GLN A 85 -4.492 19.497 -2.993 1.00 0.00 C ATOM 1104 CD GLN A 85 -4.382 20.466 -1.822 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -4.486 21.745 -2.048 1.00 0.00 O flip ATOM 1106 NE2 GLN A 85 -4.194 20.047 -0.681 1.00 0.00 N flip ATOM 0 H GLN A 85 -6.935 20.413 -6.004 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.876 18.591 -5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.492 20.882 -4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.593 19.966 -3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.639 18.483 -2.621 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.562 19.496 -3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.114 19.044 -0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.118 20.702 0.097 1.00 0.00 H new ATOM 1115 N MET A 86 -7.883 17.601 -4.461 1.00 0.00 N ATOM 1116 CA MET A 86 -8.644 16.439 -3.957 1.00 0.00 C ATOM 1117 C MET A 86 -8.280 15.215 -4.793 1.00 0.00 C ATOM 1118 O MET A 86 -8.043 14.130 -4.258 1.00 0.00 O ATOM 1119 CB MET A 86 -10.167 16.722 -4.051 1.00 0.00 C ATOM 1120 CG MET A 86 -10.568 17.826 -3.046 1.00 0.00 C ATOM 1121 SD MET A 86 -12.332 18.191 -3.200 1.00 0.00 S ATOM 1122 CE MET A 86 -12.360 19.611 -2.075 1.00 0.00 C ATOM 0 H MET A 86 -8.460 18.386 -4.764 1.00 0.00 H new ATOM 0 HA MET A 86 -8.393 16.255 -2.912 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.425 17.031 -5.064 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.727 15.810 -3.843 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.342 17.503 -2.030 1.00 0.00 H new ATOM 0 HG3 MET A 86 -9.984 18.728 -3.231 1.00 0.00 H new ATOM 0 HE1 MET A 86 -13.374 20.007 -2.015 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.034 19.296 -1.084 1.00 0.00 H new ATOM 0 HE3 MET A 86 -11.689 20.385 -2.449 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.242 15.410 -6.117 1.00 0.00 N ATOM 1133 CA LYS A 87 -7.903 14.328 -7.048 1.00 0.00 C ATOM 1134 C LYS A 87 -6.531 13.739 -6.725 1.00 0.00 C ATOM 1135 O LYS A 87 -6.348 12.522 -6.739 1.00 0.00 O ATOM 1136 CB LYS A 87 -7.872 14.865 -8.516 1.00 0.00 C ATOM 1137 CG LYS A 87 -7.899 13.669 -9.560 1.00 0.00 C ATOM 1138 CD LYS A 87 -9.375 13.259 -9.917 1.00 0.00 C ATOM 1139 CE LYS A 87 -9.925 14.126 -11.077 1.00 0.00 C ATOM 1140 NZ LYS A 87 -11.369 13.826 -11.261 1.00 0.00 N ATOM 0 H LYS A 87 -8.441 16.304 -6.566 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.666 13.556 -6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.727 15.520 -8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.975 15.465 -8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.371 13.963 -10.467 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.370 12.810 -9.147 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.406 12.206 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.011 13.373 -9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.785 15.184 -10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.377 13.918 -11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.747 14.404 -12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.488 12.818 -11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.884 14.046 -10.384 1.00 0.00 H new ATOM 1154 N MET A 88 -5.571 14.626 -6.442 1.00 0.00 N ATOM 1155 CA MET A 88 -4.198 14.208 -6.126 1.00 0.00 C ATOM 1156 C MET A 88 -4.207 13.281 -4.906 1.00 0.00 C ATOM 1157 O MET A 88 -3.824 12.117 -5.002 1.00 0.00 O ATOM 1158 CB MET A 88 -3.333 15.458 -5.829 1.00 0.00 C ATOM 1159 CG MET A 88 -3.225 16.364 -7.079 1.00 0.00 C ATOM 1160 SD MET A 88 -2.362 17.910 -6.650 1.00 0.00 S ATOM 1161 CE MET A 88 -0.641 17.360 -6.810 1.00 0.00 C ATOM 0 H MET A 88 -5.717 15.635 -6.425 1.00 0.00 H new ATOM 0 HA MET A 88 -3.778 13.672 -6.977 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.770 16.020 -5.004 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.337 15.149 -5.512 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.686 15.844 -7.871 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.220 16.587 -7.464 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.010 17.937 -6.134 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.572 16.302 -6.557 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.305 17.510 -7.836 1.00 0.00 H new ATOM 1171 N ALA A 89 -4.673 13.801 -3.760 1.00 0.00 N ATOM 1172 CA ALA A 89 -4.745 13.007 -2.527 1.00 0.00 C ATOM 1173 C ALA A 89 -5.475 11.673 -2.770 1.00 0.00 C ATOM 1174 O ALA A 89 -4.948 10.608 -2.471 1.00 0.00 O ATOM 1175 CB ALA A 89 -5.482 13.818 -1.433 1.00 0.00 C ATOM 0 H ALA A 89 -5.003 14.761 -3.663 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.730 12.784 -2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.536 13.229 -0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.939 14.743 -1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.491 14.054 -1.772 1.00 0.00 H new ATOM 1181 N HIS A 90 -6.682 11.745 -3.346 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.477 10.538 -3.633 1.00 0.00 C ATOM 1183 C HIS A 90 -6.672 9.520 -4.468 1.00 0.00 C ATOM 1184 O HIS A 90 -6.693 8.314 -4.193 1.00 0.00 O ATOM 1185 CB HIS A 90 -8.771 10.948 -4.395 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.650 9.738 -4.619 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -9.580 8.979 -5.777 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -10.573 9.118 -3.819 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -10.433 7.949 -5.636 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -11.064 7.986 -4.461 1.00 0.00 N ATOM 0 H HIS A 90 -7.129 12.619 -3.622 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.737 10.060 -2.688 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.315 11.701 -3.825 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.511 11.400 -5.352 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.874 9.457 -2.839 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.588 7.185 -6.383 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -11.757 7.326 -4.109 1.00 0.00 H new ATOM 1198 N ASP A 91 -5.957 10.034 -5.469 1.00 0.00 N ATOM 1199 CA ASP A 91 -5.132 9.189 -6.344 1.00 0.00 C ATOM 1200 C ASP A 91 -3.953 8.584 -5.562 1.00 0.00 C ATOM 1201 O ASP A 91 -3.670 7.399 -5.680 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.605 10.021 -7.541 1.00 0.00 C ATOM 1203 CG ASP A 91 -3.845 9.123 -8.533 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -4.498 8.358 -9.224 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -2.626 9.201 -8.572 1.00 0.00 O ATOM 0 H ASP A 91 -5.930 11.028 -5.697 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.750 8.374 -6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.439 10.507 -8.048 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.947 10.811 -7.180 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.279 9.421 -4.773 1.00 0.00 N ATOM 1211 CA LEU A 92 -2.116 8.995 -3.972 1.00 0.00 C ATOM 1212 C LEU A 92 -2.535 8.015 -2.876 1.00 0.00 C ATOM 1213 O LEU A 92 -1.769 7.116 -2.521 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.443 10.253 -3.353 1.00 0.00 C ATOM 1215 CG LEU A 92 -0.824 11.193 -4.464 1.00 0.00 C ATOM 1216 CD1 LEU A 92 -0.539 12.600 -3.871 1.00 0.00 C ATOM 1217 CD2 LEU A 92 0.503 10.603 -5.035 1.00 0.00 C ATOM 0 H LEU A 92 -3.516 10.407 -4.667 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.405 8.479 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.178 10.811 -2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.660 9.943 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.549 11.268 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.113 13.241 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.469 13.038 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.166 12.510 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.902 11.274 -5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.230 10.495 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.306 9.627 -5.479 1.00 0.00 H new ATOM 1229 N GLU A 93 -3.752 8.182 -2.350 1.00 0.00 N ATOM 1230 CA GLU A 93 -4.273 7.299 -1.294 1.00 0.00 C ATOM 1231 C GLU A 93 -4.469 5.871 -1.826 1.00 0.00 C ATOM 1232 O GLU A 93 -4.122 4.903 -1.140 1.00 0.00 O ATOM 1233 CB GLU A 93 -5.631 7.874 -0.765 1.00 0.00 C ATOM 1234 CG GLU A 93 -5.400 9.056 0.225 1.00 0.00 C ATOM 1235 CD GLU A 93 -6.742 9.664 0.657 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -7.593 9.832 -0.199 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -6.897 9.949 1.835 1.00 0.00 O ATOM 0 H GLU A 93 -4.397 8.919 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.553 7.257 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.236 8.214 -1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.193 7.084 -0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.855 8.704 1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.783 9.820 -0.249 1.00 0.00 H new ATOM 1244 N GLY A 94 -5.026 5.734 -3.041 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.261 4.407 -3.634 1.00 0.00 C ATOM 1246 C GLY A 94 -3.947 3.695 -3.947 1.00 0.00 C ATOM 1247 O GLY A 94 -3.790 2.508 -3.659 1.00 0.00 O ATOM 0 H GLY A 94 -5.319 6.516 -3.626 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.851 3.800 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.845 4.514 -4.548 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.001 4.437 -4.542 1.00 0.00 N ATOM 1252 CA GLN A 95 -1.684 3.880 -4.905 1.00 0.00 C ATOM 1253 C GLN A 95 -0.981 3.321 -3.668 1.00 0.00 C ATOM 1254 O GLN A 95 -0.387 2.247 -3.719 1.00 0.00 O ATOM 1255 CB GLN A 95 -0.802 4.979 -5.556 1.00 0.00 C ATOM 1256 CG GLN A 95 -1.362 5.382 -6.948 1.00 0.00 C ATOM 1257 CD GLN A 95 -0.541 6.518 -7.571 1.00 0.00 C ATOM 1258 OE1 GLN A 95 0.485 6.935 -7.024 1.00 0.00 O ATOM 1259 NE2 GLN A 95 -0.938 7.044 -8.694 1.00 0.00 N ATOM 0 H GLN A 95 -3.120 5.421 -4.782 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.836 3.071 -5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.765 5.854 -4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.220 4.616 -5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.352 4.517 -7.611 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.402 5.694 -6.848 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.785 6.701 -9.147 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.402 7.799 -9.121 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.057 4.057 -2.555 1.00 0.00 N ATOM 1269 CA LYS A 96 -0.423 3.627 -1.305 1.00 0.00 C ATOM 1270 C LYS A 96 -1.007 2.285 -0.845 1.00 0.00 C ATOM 1271 O LYS A 96 -0.268 1.359 -0.507 1.00 0.00 O ATOM 1272 CB LYS A 96 -0.645 4.712 -0.224 1.00 0.00 C ATOM 1273 CG LYS A 96 0.159 4.380 1.071 1.00 0.00 C ATOM 1274 CD LYS A 96 -0.070 5.450 2.173 1.00 0.00 C ATOM 1275 CE LYS A 96 0.518 6.828 1.786 1.00 0.00 C ATOM 1276 NZ LYS A 96 0.517 7.688 2.993 1.00 0.00 N ATOM 0 H LYS A 96 -1.548 4.949 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 96 0.646 3.493 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.336 5.684 -0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.707 4.785 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.140 3.401 1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.222 4.320 0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.139 5.553 2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.385 5.112 3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.531 6.714 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.074 7.285 0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.971 8.597 2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.463 7.856 3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.042 7.216 3.756 1.00 0.00 H new ATOM 1290 N SER A 97 -2.343 2.194 -0.841 1.00 0.00 N ATOM 1291 CA SER A 97 -3.040 0.968 -0.428 1.00 0.00 C ATOM 1292 C SER A 97 -2.681 -0.194 -1.360 1.00 0.00 C ATOM 1293 O SER A 97 -2.443 -1.316 -0.911 1.00 0.00 O ATOM 1294 CB SER A 97 -4.561 1.214 -0.442 1.00 0.00 C ATOM 1295 OG SER A 97 -4.869 2.261 0.469 1.00 0.00 O ATOM 0 H SER A 97 -2.963 2.954 -1.119 1.00 0.00 H new ATOM 0 HA SER A 97 -2.727 0.703 0.582 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.890 1.480 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.092 0.304 -0.163 1.00 0.00 H new ATOM 0 HG SER A 97 -4.651 3.125 0.060 1.00 0.00 H new ATOM 1301 N ASP A 98 -2.644 0.099 -2.665 1.00 0.00 N ATOM 1302 CA ASP A 98 -2.318 -0.909 -3.683 1.00 0.00 C ATOM 1303 C ASP A 98 -0.885 -1.435 -3.484 1.00 0.00 C ATOM 1304 O ASP A 98 -0.634 -2.623 -3.626 1.00 0.00 O ATOM 1305 CB ASP A 98 -2.459 -0.275 -5.091 1.00 0.00 C ATOM 1306 CG ASP A 98 -3.904 0.184 -5.333 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -4.803 -0.570 -4.999 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -4.089 1.277 -5.849 1.00 0.00 O ATOM 0 H ASP A 98 -2.836 1.027 -3.042 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.007 -1.748 -3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.781 0.574 -5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.169 -0.999 -5.853 1.00 0.00 H new ATOM 1313 N LEU A 99 0.033 -0.529 -3.137 1.00 0.00 N ATOM 1314 CA LEU A 99 1.447 -0.893 -2.905 1.00 0.00 C ATOM 1315 C LEU A 99 1.596 -1.735 -1.641 1.00 0.00 C ATOM 1316 O LEU A 99 2.363 -2.702 -1.618 1.00 0.00 O ATOM 1317 CB LEU A 99 2.299 0.401 -2.811 1.00 0.00 C ATOM 1318 CG LEU A 99 2.445 1.095 -4.226 1.00 0.00 C ATOM 1319 CD1 LEU A 99 2.832 2.588 -4.055 1.00 0.00 C ATOM 1320 CD2 LEU A 99 3.539 0.380 -5.085 1.00 0.00 C ATOM 0 H LEU A 99 -0.170 0.462 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 99 1.801 -1.496 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.836 1.094 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.287 0.161 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 99 1.485 1.020 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.929 3.053 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.058 3.102 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.781 2.659 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.622 0.874 -6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.498 0.430 -4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.261 -0.664 -5.233 1.00 0.00 H new ATOM 1332 N ASN A 100 0.876 -1.355 -0.587 1.00 0.00 N ATOM 1333 CA ASN A 100 0.947 -2.068 0.691 1.00 0.00 C ATOM 1334 C ASN A 100 0.588 -3.548 0.500 1.00 0.00 C ATOM 1335 O ASN A 100 1.261 -4.420 1.035 1.00 0.00 O ATOM 1336 CB ASN A 100 -0.043 -1.414 1.682 1.00 0.00 C ATOM 1337 CG ASN A 100 0.402 0.008 2.042 1.00 0.00 C ATOM 1338 OD1 ASN A 100 1.599 0.287 2.121 1.00 0.00 O ATOM 1339 ND2 ASN A 100 -0.499 0.925 2.263 1.00 0.00 N ATOM 0 H ASN A 100 0.238 -0.559 -0.591 1.00 0.00 H new ATOM 0 HA ASN A 100 1.963 -2.008 1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.040 -1.387 1.242 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.111 -2.018 2.587 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -0.213 1.874 2.502 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -1.490 0.693 2.197 1.00 0.00 H new ATOM 1346 N ASN A 101 -0.472 -3.806 -0.273 1.00 0.00 N ATOM 1347 CA ASN A 101 -0.925 -5.181 -0.543 1.00 0.00 C ATOM 1348 C ASN A 101 0.049 -5.913 -1.478 1.00 0.00 C ATOM 1349 O ASN A 101 0.493 -7.022 -1.177 1.00 0.00 O ATOM 1350 CB ASN A 101 -2.333 -5.131 -1.179 1.00 0.00 C ATOM 1351 CG ASN A 101 -3.286 -4.375 -0.257 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -3.970 -3.444 -0.685 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -3.367 -4.729 0.996 1.00 0.00 N ATOM 0 H ASN A 101 -1.034 -3.084 -0.724 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.960 -5.731 0.397 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.286 -4.641 -2.151 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.702 -6.142 -1.349 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.999 -4.234 1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.799 -5.500 1.346 1.00 0.00 H new ATOM 1360 N GLN A 102 0.352 -5.285 -2.629 1.00 0.00 N ATOM 1361 CA GLN A 102 1.257 -5.876 -3.649 1.00 0.00 C ATOM 1362 C GLN A 102 2.505 -6.482 -3.002 1.00 0.00 C ATOM 1363 O GLN A 102 2.992 -7.526 -3.438 1.00 0.00 O ATOM 1364 CB GLN A 102 1.664 -4.780 -4.690 1.00 0.00 C ATOM 1365 CG GLN A 102 0.533 -4.529 -5.742 1.00 0.00 C ATOM 1366 CD GLN A 102 0.463 -5.696 -6.736 1.00 0.00 C ATOM 1367 OE1 GLN A 102 1.414 -5.927 -7.482 1.00 0.00 O ATOM 1368 NE2 GLN A 102 -0.600 -6.450 -6.780 1.00 0.00 N ATOM 0 H GLN A 102 -0.014 -4.367 -2.882 1.00 0.00 H new ATOM 0 HA GLN A 102 0.723 -6.679 -4.157 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.889 -3.849 -4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.576 -5.086 -5.203 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -0.426 -4.415 -5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.724 -3.598 -6.276 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.388 -6.258 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.644 -7.232 -7.433 1.00 0.00 H new ATOM 1377 N LEU A 103 3.005 -5.814 -1.964 1.00 0.00 N ATOM 1378 CA LEU A 103 4.197 -6.256 -1.230 1.00 0.00 C ATOM 1379 C LEU A 103 3.791 -6.802 0.128 1.00 0.00 C ATOM 1380 O LEU A 103 4.630 -7.376 0.823 1.00 0.00 O ATOM 1381 CB LEU A 103 5.137 -5.034 -1.050 1.00 0.00 C ATOM 1382 CG LEU A 103 5.467 -4.364 -2.428 1.00 0.00 C ATOM 1383 CD1 LEU A 103 6.373 -3.125 -2.204 1.00 0.00 C ATOM 1384 CD2 LEU A 103 6.164 -5.374 -3.397 1.00 0.00 C ATOM 0 H LEU A 103 2.598 -4.950 -1.605 1.00 0.00 H new ATOM 0 HA LEU A 103 4.709 -7.044 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.667 -4.304 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.061 -5.351 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 103 4.531 -4.050 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.600 -2.662 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.856 -2.406 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.300 -3.435 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.380 -4.880 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.094 -5.724 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.504 -6.223 -3.573 1.00 0.00 H new