USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 33 CYS SG : rot -39:sc= -0.461 USER MOD Set 1.2: A 83 CYS SG : rot -130:sc= -0.336 USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= -0.326 (180deg=-1) USER MOD Single : A 15 GLN : amide:sc= -4.88! C(o=-4.9!,f=-10!) USER MOD Single : A 18 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-7.1!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 36:sc= 0.756 USER MOD Single : A 30 THR OG1 : rot -15:sc= 0.517 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.29 K(o=-1.3,f=-3.6!) USER MOD Single : A 39 GLN : amide:sc= 0.641 K(o=0.64,f=-5.2!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= 1.04 (180deg=0.323) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -170:sc= -0.508 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot -17:sc= 0.451 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.75 K(o=-1.8,f=-3.2) USER MOD Single : A 89 GLN : amide:sc= -1.69! C(o=-1.7!,f=-1.7!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 7.540 17.747 2.882 1.00 0.00 N ATOM 89 CA VAL A 9 7.565 16.544 2.058 1.00 0.00 C ATOM 90 C VAL A 9 8.135 15.361 2.832 1.00 0.00 C ATOM 91 O VAL A 9 9.198 15.459 3.444 1.00 0.00 O ATOM 92 CB VAL A 9 8.397 16.757 0.780 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.455 15.477 -0.039 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.826 17.901 -0.043 1.00 0.00 C ATOM 0 HA VAL A 9 6.534 16.329 1.779 1.00 0.00 H new ATOM 0 HB VAL A 9 9.414 17.021 1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.047 15.647 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.914 14.686 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.445 15.179 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.427 18.037 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.799 17.670 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.843 18.817 0.547 1.00 0.00 H new ATOM 104 N VAL A 10 7.420 14.240 2.800 1.00 0.00 N ATOM 105 CA VAL A 10 7.855 13.036 3.496 1.00 0.00 C ATOM 106 C VAL A 10 8.398 12.000 2.517 1.00 0.00 C ATOM 107 O VAL A 10 9.371 11.305 2.809 1.00 0.00 O ATOM 108 CB VAL A 10 6.704 12.408 4.304 1.00 0.00 C ATOM 109 CG1 VAL A 10 7.174 11.148 5.014 1.00 0.00 C ATOM 110 CG2 VAL A 10 6.142 13.412 5.299 1.00 0.00 C ATOM 0 H VAL A 10 6.537 14.142 2.299 1.00 0.00 H new ATOM 0 HA VAL A 10 8.649 13.336 4.180 1.00 0.00 H new ATOM 0 HB VAL A 10 5.908 12.131 3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.347 10.719 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.524 10.425 4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.989 11.396 5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.330 12.951 5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.929 13.722 5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.764 14.283 4.763 1.00 0.00 H new ATOM 120 N PHE A 11 7.762 11.904 1.354 1.00 0.00 N ATOM 121 CA PHE A 11 8.181 10.953 0.331 1.00 0.00 C ATOM 122 C PHE A 11 9.054 11.633 -0.719 1.00 0.00 C ATOM 123 O PHE A 11 9.383 12.813 -0.599 1.00 0.00 O ATOM 124 CB PHE A 11 6.959 10.320 -0.338 1.00 0.00 C ATOM 125 CG PHE A 11 6.245 9.326 0.534 1.00 0.00 C ATOM 126 CD1 PHE A 11 6.935 8.277 1.119 1.00 0.00 C ATOM 127 CD2 PHE A 11 4.884 9.441 0.767 1.00 0.00 C ATOM 128 CE1 PHE A 11 6.282 7.362 1.922 1.00 0.00 C ATOM 129 CE2 PHE A 11 4.226 8.529 1.569 1.00 0.00 C ATOM 130 CZ PHE A 11 4.925 7.487 2.147 1.00 0.00 C ATOM 0 H PHE A 11 6.955 12.473 1.097 1.00 0.00 H new ATOM 0 HA PHE A 11 8.767 10.172 0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.262 11.108 -0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.273 9.825 -1.257 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.996 8.173 0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.332 10.252 0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.832 6.550 2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.165 8.631 1.744 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.412 6.772 2.773 1.00 0.00 H new ATOM 140 N ALA A 12 9.428 10.879 -1.748 1.00 0.00 N ATOM 141 CA ALA A 12 10.262 11.408 -2.820 1.00 0.00 C ATOM 142 C ALA A 12 9.497 12.426 -3.659 1.00 0.00 C ATOM 143 O ALA A 12 8.310 12.665 -3.434 1.00 0.00 O ATOM 144 CB ALA A 12 10.774 10.276 -3.697 1.00 0.00 C ATOM 0 H ALA A 12 9.166 9.900 -1.862 1.00 0.00 H new ATOM 0 HA ALA A 12 11.114 11.916 -2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.395 10.685 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.365 9.587 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.929 9.743 -4.133 1.00 0.00 H new ATOM 150 N LYS A 13 10.183 13.024 -4.627 1.00 0.00 N ATOM 151 CA LYS A 13 9.569 14.016 -5.501 1.00 0.00 C ATOM 152 C LYS A 13 9.396 13.465 -6.912 1.00 0.00 C ATOM 153 O LYS A 13 8.570 13.954 -7.682 1.00 0.00 O ATOM 154 CB LYS A 13 10.419 15.288 -5.539 1.00 0.00 C ATOM 155 CG LYS A 13 11.876 15.036 -5.885 1.00 0.00 C ATOM 156 CD LYS A 13 12.710 14.785 -4.640 1.00 0.00 C ATOM 157 CE LYS A 13 13.281 16.079 -4.081 1.00 0.00 C ATOM 158 NZ LYS A 13 12.275 16.826 -3.276 1.00 0.00 N ATOM 0 H LYS A 13 11.166 12.838 -4.826 1.00 0.00 H new ATOM 0 HA LYS A 13 8.584 14.256 -5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.995 15.977 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.365 15.780 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.949 14.177 -6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.276 15.894 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.096 14.299 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.524 14.100 -4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.149 15.855 -3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.629 16.707 -4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.763 17.460 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.671 17.388 -3.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.687 16.153 -2.744 1.00 0.00 H new ATOM 172 N GLU A 14 10.181 12.444 -7.245 1.00 0.00 N ATOM 173 CA GLU A 14 10.113 11.828 -8.564 1.00 0.00 C ATOM 174 C GLU A 14 9.329 10.519 -8.513 1.00 0.00 C ATOM 175 O GLU A 14 9.697 9.538 -9.159 1.00 0.00 O ATOM 176 CB GLU A 14 11.521 11.570 -9.104 1.00 0.00 C ATOM 177 CG GLU A 14 12.297 12.840 -9.411 1.00 0.00 C ATOM 178 CD GLU A 14 11.462 13.871 -10.146 1.00 0.00 C ATOM 179 OE1 GLU A 14 11.389 13.797 -11.390 1.00 0.00 O ATOM 180 OE2 GLU A 14 10.881 14.751 -9.477 1.00 0.00 O ATOM 0 H GLU A 14 10.870 12.027 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 14 9.596 12.516 -9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.078 10.981 -8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.449 10.970 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.663 13.272 -8.479 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.171 12.591 -10.012 1.00 0.00 H new ATOM 187 N GLN A 15 8.247 10.514 -7.741 1.00 0.00 N ATOM 188 CA GLN A 15 7.412 9.327 -7.605 1.00 0.00 C ATOM 189 C GLN A 15 5.940 9.671 -7.807 1.00 0.00 C ATOM 190 O GLN A 15 5.461 10.726 -7.391 1.00 0.00 O ATOM 191 CB GLN A 15 7.615 8.690 -6.229 1.00 0.00 C ATOM 192 CG GLN A 15 7.253 9.609 -5.073 1.00 0.00 C ATOM 193 CD GLN A 15 7.079 8.861 -3.766 1.00 0.00 C ATOM 194 OE1 GLN A 15 6.152 9.132 -3.002 1.00 0.00 O ATOM 195 NE2 GLN A 15 7.970 7.914 -3.502 1.00 0.00 N ATOM 0 H GLN A 15 7.928 11.318 -7.201 1.00 0.00 H new ATOM 0 HA GLN A 15 7.709 8.615 -8.375 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.012 7.784 -6.165 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.657 8.387 -6.128 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.032 10.363 -4.955 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.330 10.139 -5.310 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.722 7.723 -4.164 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.903 7.377 -2.637 1.00 0.00 H new ATOM 204 N PRO A 16 5.203 8.760 -8.460 1.00 0.00 N ATOM 205 CA PRO A 16 3.775 8.945 -8.732 1.00 0.00 C ATOM 206 C PRO A 16 2.929 8.864 -7.466 1.00 0.00 C ATOM 207 O PRO A 16 3.319 8.230 -6.487 1.00 0.00 O ATOM 208 CB PRO A 16 3.440 7.785 -9.674 1.00 0.00 C ATOM 209 CG PRO A 16 4.455 6.740 -9.364 1.00 0.00 C ATOM 210 CD PRO A 16 5.708 7.480 -8.984 1.00 0.00 C ATOM 0 HA PRO A 16 3.564 9.928 -9.153 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.428 7.417 -9.504 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.496 8.094 -10.718 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.118 6.098 -8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.628 6.096 -10.226 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.283 6.938 -8.234 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.363 7.628 -9.842 1.00 0.00 H new ATOM 218 N ALA A 17 1.768 9.510 -7.494 1.00 0.00 N ATOM 219 CA ALA A 17 0.865 9.509 -6.349 1.00 0.00 C ATOM 220 C ALA A 17 0.289 8.118 -6.106 1.00 0.00 C ATOM 221 O ALA A 17 0.071 7.717 -4.962 1.00 0.00 O ATOM 222 CB ALA A 17 -0.255 10.517 -6.558 1.00 0.00 C ATOM 0 H ALA A 17 1.430 10.041 -8.297 1.00 0.00 H new ATOM 0 HA ALA A 17 1.437 9.797 -5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.921 10.505 -5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.170 11.514 -6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.817 10.255 -7.454 1.00 0.00 H new ATOM 228 N HIS A 18 0.044 7.386 -7.188 1.00 0.00 N ATOM 229 CA HIS A 18 -0.508 6.040 -7.092 1.00 0.00 C ATOM 230 C HIS A 18 0.090 5.130 -8.161 1.00 0.00 C ATOM 231 O HIS A 18 0.140 5.489 -9.338 1.00 0.00 O ATOM 232 CB HIS A 18 -2.030 6.078 -7.231 1.00 0.00 C ATOM 233 CG HIS A 18 -2.605 4.846 -7.861 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.183 3.572 -7.544 1.00 0.00 N ATOM 235 CD2 HIS A 18 -3.576 4.699 -8.792 1.00 0.00 C ATOM 236 CE1 HIS A 18 -2.869 2.695 -8.254 1.00 0.00 C ATOM 237 NE2 HIS A 18 -3.721 3.353 -9.020 1.00 0.00 N ATOM 0 H HIS A 18 0.219 7.703 -8.142 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.251 5.638 -6.112 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.473 6.212 -6.244 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.311 6.946 -7.828 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.133 5.493 -9.267 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.753 1.622 -8.215 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.379 2.930 -9.674 1.00 0.00 H new ATOM 246 N ARG A 19 0.543 3.952 -7.744 1.00 0.00 N ATOM 247 CA ARG A 19 1.139 2.992 -8.665 1.00 0.00 C ATOM 248 C ARG A 19 0.262 1.751 -8.800 1.00 0.00 C ATOM 249 O ARG A 19 -0.552 1.457 -7.925 1.00 0.00 O ATOM 250 CB ARG A 19 2.536 2.594 -8.186 1.00 0.00 C ATOM 251 CG ARG A 19 3.495 3.766 -8.062 1.00 0.00 C ATOM 252 CD ARG A 19 4.659 3.438 -7.140 1.00 0.00 C ATOM 253 NE ARG A 19 5.791 4.339 -7.346 1.00 0.00 N ATOM 254 CZ ARG A 19 7.041 4.034 -7.019 1.00 0.00 C ATOM 255 NH1 ARG A 19 7.319 2.858 -6.473 1.00 0.00 N ATOM 256 NH2 ARG A 19 8.017 4.906 -7.238 1.00 0.00 N ATOM 0 H ARG A 19 0.508 3.640 -6.774 1.00 0.00 H new ATOM 0 HA ARG A 19 1.219 3.466 -9.643 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.452 2.101 -7.218 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.955 1.865 -8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.875 4.033 -9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.961 4.636 -7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.329 3.501 -6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.978 2.410 -7.311 1.00 0.00 H new ATOM 0 HE ARG A 19 5.611 5.252 -7.764 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.572 2.185 -6.303 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.280 2.626 -6.223 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.807 5.812 -7.658 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.977 4.671 -6.986 1.00 0.00 H new ATOM 270 N GLU A 20 0.434 1.027 -9.901 1.00 0.00 N ATOM 271 CA GLU A 20 -0.343 -0.181 -10.150 1.00 0.00 C ATOM 272 C GLU A 20 0.542 -1.422 -10.075 1.00 0.00 C ATOM 273 O GLU A 20 1.551 -1.522 -10.774 1.00 0.00 O ATOM 274 CB GLU A 20 -1.020 -0.106 -11.520 1.00 0.00 C ATOM 275 CG GLU A 20 -2.257 0.775 -11.541 1.00 0.00 C ATOM 276 CD GLU A 20 -2.869 0.890 -12.923 1.00 0.00 C ATOM 277 OE1 GLU A 20 -2.105 0.919 -13.910 1.00 0.00 O ATOM 278 OE2 GLU A 20 -4.113 0.951 -13.018 1.00 0.00 O ATOM 0 H GLU A 20 1.105 1.256 -10.635 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.109 -0.255 -9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.303 0.271 -12.250 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.296 -1.112 -11.835 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.998 0.370 -10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.996 1.770 -11.180 1.00 0.00 H new ATOM 285 N VAL A 21 0.157 -2.366 -9.221 1.00 0.00 N ATOM 286 CA VAL A 21 0.914 -3.600 -9.054 1.00 0.00 C ATOM 287 C VAL A 21 0.032 -4.822 -9.286 1.00 0.00 C ATOM 288 O VAL A 21 -1.146 -4.826 -8.927 1.00 0.00 O ATOM 289 CB VAL A 21 1.537 -3.691 -7.649 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.456 -4.899 -7.548 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.289 -2.411 -7.317 1.00 0.00 C ATOM 0 H VAL A 21 -0.675 -2.299 -8.634 1.00 0.00 H new ATOM 0 HA VAL A 21 1.711 -3.584 -9.797 1.00 0.00 H new ATOM 0 HB VAL A 21 0.734 -3.814 -6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.887 -4.946 -6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.885 -5.807 -7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.256 -4.810 -8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.723 -2.492 -6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.083 -2.256 -8.047 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.600 -1.567 -7.345 1.00 0.00 H new ATOM 301 N GLN A 22 0.609 -5.856 -9.888 1.00 0.00 N ATOM 302 CA GLN A 22 -0.126 -7.084 -10.168 1.00 0.00 C ATOM 303 C GLN A 22 0.656 -8.306 -9.699 1.00 0.00 C ATOM 304 O GLN A 22 1.810 -8.195 -9.286 1.00 0.00 O ATOM 305 CB GLN A 22 -0.421 -7.197 -11.665 1.00 0.00 C ATOM 306 CG GLN A 22 0.808 -7.500 -12.506 1.00 0.00 C ATOM 307 CD GLN A 22 0.480 -7.678 -13.976 1.00 0.00 C ATOM 308 OE1 GLN A 22 0.844 -6.850 -14.810 1.00 0.00 O ATOM 309 NE2 GLN A 22 -0.211 -8.765 -14.300 1.00 0.00 N ATOM 0 H GLN A 22 1.583 -5.868 -10.191 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.068 -7.046 -9.621 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.161 -7.981 -11.823 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.866 -6.264 -12.010 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.529 -6.690 -12.394 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.285 -8.406 -12.132 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.492 -9.425 -13.575 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.460 -8.939 -15.274 1.00 0.00 H new ATOM 318 N ALA A 23 0.020 -9.471 -9.765 1.00 0.00 N ATOM 319 CA ALA A 23 0.658 -10.714 -9.348 1.00 0.00 C ATOM 320 C ALA A 23 -0.233 -11.915 -9.646 1.00 0.00 C ATOM 321 O ALA A 23 -1.336 -11.765 -10.172 1.00 0.00 O ATOM 322 CB ALA A 23 0.998 -10.662 -7.866 1.00 0.00 C ATOM 0 H ALA A 23 -0.936 -9.580 -10.103 1.00 0.00 H new ATOM 0 HA ALA A 23 1.580 -10.828 -9.917 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.474 -11.597 -7.569 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.679 -9.832 -7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.085 -10.520 -7.288 1.00 0.00 H new ATOM 328 N GLU A 24 0.252 -13.105 -9.307 1.00 0.00 N ATOM 329 CA GLU A 24 -0.502 -14.332 -9.541 1.00 0.00 C ATOM 330 C GLU A 24 -0.952 -14.953 -8.222 1.00 0.00 C ATOM 331 O GLU A 24 -0.321 -14.757 -7.184 1.00 0.00 O ATOM 332 CB GLU A 24 0.345 -15.335 -10.328 1.00 0.00 C ATOM 333 CG GLU A 24 0.550 -14.948 -11.783 1.00 0.00 C ATOM 334 CD GLU A 24 0.980 -16.121 -12.643 1.00 0.00 C ATOM 335 OE1 GLU A 24 0.098 -16.874 -13.104 1.00 0.00 O ATOM 336 OE2 GLU A 24 2.200 -16.285 -12.854 1.00 0.00 O ATOM 0 H GLU A 24 1.163 -13.246 -8.870 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.387 -14.079 -10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.318 -15.433 -9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.132 -16.314 -10.285 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.377 -14.532 -12.179 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.303 -14.162 -11.844 1.00 0.00 H new ATOM 343 N ALA A 25 -2.047 -15.704 -8.272 1.00 0.00 N ATOM 344 CA ALA A 25 -2.581 -16.356 -7.083 1.00 0.00 C ATOM 345 C ALA A 25 -1.535 -17.253 -6.432 1.00 0.00 C ATOM 346 O ALA A 25 -1.053 -18.207 -7.043 1.00 0.00 O ATOM 347 CB ALA A 25 -3.824 -17.161 -7.435 1.00 0.00 C ATOM 0 H ALA A 25 -2.582 -15.876 -9.123 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.854 -15.581 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.212 -17.642 -6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.583 -16.496 -7.847 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.568 -17.921 -8.173 1.00 0.00 H new ATOM 353 N GLY A 26 -1.186 -16.942 -5.187 1.00 0.00 N ATOM 354 CA GLY A 26 -0.197 -17.730 -4.474 1.00 0.00 C ATOM 355 C GLY A 26 1.186 -17.112 -4.530 1.00 0.00 C ATOM 356 O GLY A 26 2.004 -17.324 -3.635 1.00 0.00 O ATOM 0 H GLY A 26 -1.571 -16.158 -4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.503 -17.836 -3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.161 -18.733 -4.899 1.00 0.00 H new ATOM 360 N ALA A 27 1.449 -16.347 -5.584 1.00 0.00 N ATOM 361 CA ALA A 27 2.742 -15.696 -5.752 1.00 0.00 C ATOM 362 C ALA A 27 2.994 -14.680 -4.644 1.00 0.00 C ATOM 363 O ALA A 27 2.112 -14.402 -3.831 1.00 0.00 O ATOM 364 CB ALA A 27 2.822 -15.025 -7.115 1.00 0.00 C ATOM 0 H ALA A 27 0.783 -16.163 -6.335 1.00 0.00 H new ATOM 0 HA ALA A 27 3.516 -16.461 -5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.793 -14.543 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.697 -15.774 -7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.034 -14.277 -7.199 1.00 0.00 H new ATOM 370 N SER A 28 4.203 -14.127 -4.617 1.00 0.00 N ATOM 371 CA SER A 28 4.572 -13.145 -3.605 1.00 0.00 C ATOM 372 C SER A 28 4.764 -11.767 -4.231 1.00 0.00 C ATOM 373 O SER A 28 5.722 -11.536 -4.968 1.00 0.00 O ATOM 374 CB SER A 28 5.853 -13.575 -2.889 1.00 0.00 C ATOM 375 OG SER A 28 6.933 -13.689 -3.800 1.00 0.00 O ATOM 0 H SER A 28 4.943 -14.343 -5.285 1.00 0.00 H new ATOM 0 HA SER A 28 3.761 -13.086 -2.879 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.102 -12.849 -2.115 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.691 -14.531 -2.390 1.00 0.00 H new ATOM 0 HG SER A 28 6.858 -12.992 -4.485 1.00 0.00 H new ATOM 381 N ALA A 29 3.845 -10.854 -3.932 1.00 0.00 N ATOM 382 CA ALA A 29 3.913 -9.498 -4.463 1.00 0.00 C ATOM 383 C ALA A 29 4.933 -8.660 -3.699 1.00 0.00 C ATOM 384 O ALA A 29 5.555 -9.135 -2.748 1.00 0.00 O ATOM 385 CB ALA A 29 2.542 -8.842 -4.411 1.00 0.00 C ATOM 0 H ALA A 29 3.044 -11.029 -3.325 1.00 0.00 H new ATOM 0 HA ALA A 29 4.236 -9.557 -5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.607 -7.830 -4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.838 -9.423 -5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.196 -8.803 -3.378 1.00 0.00 H new ATOM 391 N THR A 30 5.100 -7.411 -4.120 1.00 0.00 N ATOM 392 CA THR A 30 6.045 -6.507 -3.477 1.00 0.00 C ATOM 393 C THR A 30 5.740 -5.054 -3.823 1.00 0.00 C ATOM 394 O THR A 30 5.880 -4.637 -4.974 1.00 0.00 O ATOM 395 CB THR A 30 7.495 -6.826 -3.886 1.00 0.00 C ATOM 396 OG1 THR A 30 7.809 -8.184 -3.557 1.00 0.00 O ATOM 397 CG2 THR A 30 8.473 -5.892 -3.190 1.00 0.00 C ATOM 0 H THR A 30 4.592 -7.002 -4.904 1.00 0.00 H new ATOM 0 HA THR A 30 5.938 -6.652 -2.402 1.00 0.00 H new ATOM 0 HB THR A 30 7.585 -6.682 -4.963 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.134 -8.535 -2.940 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.490 -6.137 -3.495 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.250 -4.861 -3.465 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.380 -6.007 -2.110 1.00 0.00 H new ATOM 405 N LEU A 31 5.323 -4.287 -2.822 1.00 0.00 N ATOM 406 CA LEU A 31 4.998 -2.879 -3.021 1.00 0.00 C ATOM 407 C LEU A 31 6.121 -1.984 -2.508 1.00 0.00 C ATOM 408 O LEU A 31 6.204 -1.697 -1.314 1.00 0.00 O ATOM 409 CB LEU A 31 3.689 -2.532 -2.310 1.00 0.00 C ATOM 410 CG LEU A 31 2.552 -3.542 -2.467 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.422 -3.229 -1.498 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.040 -3.550 -3.900 1.00 0.00 C ATOM 0 H LEU A 31 5.202 -4.616 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 31 4.880 -2.706 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.897 -2.412 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.344 -1.566 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 31 2.939 -4.534 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.622 -3.958 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.796 -3.275 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.037 -2.229 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.231 -4.275 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.670 -2.558 -4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.851 -3.823 -4.575 1.00 0.00 H new ATOM 424 N SER A 32 6.983 -1.543 -3.419 1.00 0.00 N ATOM 425 CA SER A 32 8.103 -0.681 -3.059 1.00 0.00 C ATOM 426 C SER A 32 7.727 0.789 -3.210 1.00 0.00 C ATOM 427 O SER A 32 6.935 1.153 -4.081 1.00 0.00 O ATOM 428 CB SER A 32 9.320 -1.000 -3.929 1.00 0.00 C ATOM 429 OG SER A 32 10.277 0.043 -3.869 1.00 0.00 O ATOM 0 H SER A 32 6.927 -1.769 -4.412 1.00 0.00 H new ATOM 0 HA SER A 32 8.353 -0.869 -2.015 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.774 -1.934 -3.597 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.004 -1.149 -4.961 1.00 0.00 H new ATOM 0 HG SER A 32 11.046 -0.186 -4.432 1.00 0.00 H new ATOM 435 N CYS A 33 8.299 1.631 -2.357 1.00 0.00 N ATOM 436 CA CYS A 33 8.024 3.063 -2.394 1.00 0.00 C ATOM 437 C CYS A 33 9.190 3.855 -1.811 1.00 0.00 C ATOM 438 O CYS A 33 9.685 3.544 -0.729 1.00 0.00 O ATOM 439 CB CYS A 33 6.742 3.377 -1.622 1.00 0.00 C ATOM 440 SG CYS A 33 6.746 2.790 0.088 1.00 0.00 S ATOM 0 H CYS A 33 8.956 1.347 -1.631 1.00 0.00 H new ATOM 0 HA CYS A 33 7.893 3.357 -3.436 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.585 4.456 -1.624 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.897 2.931 -2.146 1.00 0.00 H new ATOM 0 HG CYS A 33 7.324 1.627 0.146 1.00 0.00 H new ATOM 446 N GLU A 34 9.624 4.880 -2.538 1.00 0.00 N ATOM 447 CA GLU A 34 10.733 5.716 -2.093 1.00 0.00 C ATOM 448 C GLU A 34 10.295 6.649 -0.969 1.00 0.00 C ATOM 449 O GLU A 34 9.104 6.900 -0.784 1.00 0.00 O ATOM 450 CB GLU A 34 11.286 6.533 -3.263 1.00 0.00 C ATOM 451 CG GLU A 34 11.897 5.683 -4.364 1.00 0.00 C ATOM 452 CD GLU A 34 12.502 6.517 -5.477 1.00 0.00 C ATOM 453 OE1 GLU A 34 11.743 6.977 -6.355 1.00 0.00 O ATOM 454 OE2 GLU A 34 13.736 6.710 -5.469 1.00 0.00 O ATOM 0 H GLU A 34 9.225 5.151 -3.437 1.00 0.00 H new ATOM 0 HA GLU A 34 11.518 5.062 -1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.483 7.137 -3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.041 7.224 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.667 5.040 -3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.131 5.029 -4.780 1.00 0.00 H new ATOM 461 N VAL A 35 11.267 7.160 -0.219 1.00 0.00 N ATOM 462 CA VAL A 35 10.983 8.066 0.887 1.00 0.00 C ATOM 463 C VAL A 35 11.948 9.246 0.893 1.00 0.00 C ATOM 464 O VAL A 35 13.051 9.161 0.355 1.00 0.00 O ATOM 465 CB VAL A 35 11.069 7.340 2.243 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.743 6.675 2.579 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.198 6.321 2.230 1.00 0.00 C ATOM 0 H VAL A 35 12.258 6.962 -0.358 1.00 0.00 H new ATOM 0 HA VAL A 35 9.967 8.433 0.743 1.00 0.00 H new ATOM 0 HB VAL A 35 11.284 8.077 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.824 6.167 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.960 7.431 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.494 5.949 1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.245 5.817 3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.016 5.586 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.144 6.828 2.039 1.00 0.00 H new ATOM 477 N ALA A 36 11.523 10.347 1.504 1.00 0.00 N ATOM 478 CA ALA A 36 12.351 11.545 1.582 1.00 0.00 C ATOM 479 C ALA A 36 13.398 11.418 2.683 1.00 0.00 C ATOM 480 O ALA A 36 14.400 12.132 2.683 1.00 0.00 O ATOM 481 CB ALA A 36 11.482 12.772 1.817 1.00 0.00 C ATOM 0 H ALA A 36 10.611 10.434 1.952 1.00 0.00 H new ATOM 0 HA ALA A 36 12.873 11.659 0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.113 13.659 1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.776 12.881 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.934 12.656 2.752 1.00 0.00 H new ATOM 487 N GLN A 37 13.159 10.505 3.619 1.00 0.00 N ATOM 488 CA GLN A 37 14.083 10.286 4.726 1.00 0.00 C ATOM 489 C GLN A 37 14.256 8.797 5.003 1.00 0.00 C ATOM 490 O GLN A 37 13.580 7.961 4.405 1.00 0.00 O ATOM 491 CB GLN A 37 13.581 10.996 5.984 1.00 0.00 C ATOM 492 CG GLN A 37 13.574 12.512 5.866 1.00 0.00 C ATOM 493 CD GLN A 37 14.971 13.097 5.786 1.00 0.00 C ATOM 494 OE1 GLN A 37 15.763 12.726 4.919 1.00 0.00 O ATOM 495 NE2 GLN A 37 15.280 14.017 6.692 1.00 0.00 N ATOM 0 H GLN A 37 12.334 9.905 3.633 1.00 0.00 H new ATOM 0 HA GLN A 37 15.052 10.700 4.446 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.571 10.653 6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.208 10.709 6.828 1.00 0.00 H new ATOM 0 HG2 GLN A 37 13.012 12.801 4.978 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.055 12.937 6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.592 14.294 7.392 1.00 0.00 H new ATOM 0 HE22 GLN A 37 16.205 14.447 6.688 1.00 0.00 H new ATOM 504 N ALA A 38 15.168 8.472 5.915 1.00 0.00 N ATOM 505 CA ALA A 38 15.429 7.084 6.273 1.00 0.00 C ATOM 506 C ALA A 38 14.867 6.757 7.652 1.00 0.00 C ATOM 507 O ALA A 38 14.061 5.838 7.802 1.00 0.00 O ATOM 508 CB ALA A 38 16.923 6.800 6.229 1.00 0.00 C ATOM 0 H ALA A 38 15.738 9.152 6.419 1.00 0.00 H new ATOM 0 HA ALA A 38 14.927 6.447 5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 38 17.104 5.759 6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.299 6.985 5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.438 7.452 6.934 1.00 0.00 H new ATOM 514 N GLN A 39 15.297 7.514 8.656 1.00 0.00 N ATOM 515 CA GLN A 39 14.836 7.303 10.023 1.00 0.00 C ATOM 516 C GLN A 39 13.315 7.383 10.104 1.00 0.00 C ATOM 517 O GLN A 39 12.712 6.975 11.097 1.00 0.00 O ATOM 518 CB GLN A 39 15.463 8.337 10.960 1.00 0.00 C ATOM 519 CG GLN A 39 14.962 9.753 10.726 1.00 0.00 C ATOM 520 CD GLN A 39 15.752 10.482 9.657 1.00 0.00 C ATOM 521 OE1 GLN A 39 16.664 9.920 9.051 1.00 0.00 O ATOM 522 NE2 GLN A 39 15.405 11.742 9.420 1.00 0.00 N ATOM 0 H GLN A 39 15.964 8.279 8.549 1.00 0.00 H new ATOM 0 HA GLN A 39 15.146 6.305 10.334 1.00 0.00 H new ATOM 0 HB2 GLN A 39 15.256 8.053 11.992 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.546 8.318 10.836 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.912 9.720 10.437 1.00 0.00 H new ATOM 0 HG3 GLN A 39 15.018 10.313 11.659 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.642 12.169 9.946 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.901 12.283 8.712 1.00 0.00 H new ATOM 531 N THR A 40 12.699 7.912 9.051 1.00 0.00 N ATOM 532 CA THR A 40 11.248 8.047 9.003 1.00 0.00 C ATOM 533 C THR A 40 10.576 6.691 8.823 1.00 0.00 C ATOM 534 O THR A 40 10.931 5.926 7.927 1.00 0.00 O ATOM 535 CB THR A 40 10.808 8.981 7.860 1.00 0.00 C ATOM 536 OG1 THR A 40 11.011 10.347 8.238 1.00 0.00 O ATOM 537 CG2 THR A 40 9.344 8.758 7.512 1.00 0.00 C ATOM 0 H THR A 40 13.182 8.254 8.220 1.00 0.00 H new ATOM 0 HA THR A 40 10.939 8.479 9.955 1.00 0.00 H new ATOM 0 HB THR A 40 11.412 8.754 6.982 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.730 10.934 7.505 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.056 9.429 6.702 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.198 7.725 7.196 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.727 8.960 8.387 1.00 0.00 H new ATOM 545 N GLU A 41 9.602 6.400 9.681 1.00 0.00 N ATOM 546 CA GLU A 41 8.881 5.135 9.616 1.00 0.00 C ATOM 547 C GLU A 41 7.571 5.295 8.849 1.00 0.00 C ATOM 548 O GLU A 41 7.018 6.391 8.764 1.00 0.00 O ATOM 549 CB GLU A 41 8.599 4.609 11.025 1.00 0.00 C ATOM 550 CG GLU A 41 7.460 5.330 11.726 1.00 0.00 C ATOM 551 CD GLU A 41 7.114 4.710 13.066 1.00 0.00 C ATOM 552 OE1 GLU A 41 6.267 3.792 13.094 1.00 0.00 O ATOM 553 OE2 GLU A 41 7.690 5.142 14.087 1.00 0.00 O ATOM 0 H GLU A 41 9.295 7.023 10.428 1.00 0.00 H new ATOM 0 HA GLU A 41 9.507 4.416 9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.364 3.546 10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.503 4.703 11.627 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.732 6.375 11.873 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.578 5.317 11.085 1.00 0.00 H new ATOM 560 N VAL A 42 7.080 4.192 8.291 1.00 0.00 N ATOM 561 CA VAL A 42 5.836 4.209 7.532 1.00 0.00 C ATOM 562 C VAL A 42 4.883 3.121 8.014 1.00 0.00 C ATOM 563 O VAL A 42 5.309 2.110 8.574 1.00 0.00 O ATOM 564 CB VAL A 42 6.095 4.017 6.025 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.209 4.939 5.554 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.430 2.564 5.723 1.00 0.00 C ATOM 0 H VAL A 42 7.525 3.276 8.351 1.00 0.00 H new ATOM 0 HA VAL A 42 5.380 5.186 7.694 1.00 0.00 H new ATOM 0 HB VAL A 42 5.187 4.277 5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.378 4.790 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.924 5.976 5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.124 4.713 6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.610 2.447 4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.324 2.274 6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.597 1.929 6.023 1.00 0.00 H new ATOM 576 N THR A 43 3.589 3.335 7.794 1.00 0.00 N ATOM 577 CA THR A 43 2.575 2.374 8.208 1.00 0.00 C ATOM 578 C THR A 43 1.594 2.089 7.076 1.00 0.00 C ATOM 579 O THR A 43 0.714 2.900 6.787 1.00 0.00 O ATOM 580 CB THR A 43 1.792 2.875 9.436 1.00 0.00 C ATOM 581 OG1 THR A 43 2.695 3.152 10.512 1.00 0.00 O ATOM 582 CG2 THR A 43 0.765 1.845 9.881 1.00 0.00 C ATOM 0 H THR A 43 3.219 4.165 7.331 1.00 0.00 H new ATOM 0 HA THR A 43 3.100 1.456 8.472 1.00 0.00 H new ATOM 0 HB THR A 43 1.268 3.789 9.157 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.190 3.472 11.289 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.225 2.222 10.750 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.062 1.658 9.069 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.271 0.916 10.143 1.00 0.00 H new ATOM 590 N TRP A 44 1.750 0.934 6.440 1.00 0.00 N ATOM 591 CA TRP A 44 0.877 0.543 5.340 1.00 0.00 C ATOM 592 C TRP A 44 -0.577 0.480 5.795 1.00 0.00 C ATOM 593 O TRP A 44 -0.859 0.301 6.980 1.00 0.00 O ATOM 594 CB TRP A 44 1.307 -0.813 4.777 1.00 0.00 C ATOM 595 CG TRP A 44 2.657 -0.785 4.128 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.858 -1.052 4.721 1.00 0.00 C ATOM 597 CD2 TRP A 44 2.944 -0.471 2.760 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.874 -0.923 3.805 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.340 -0.568 2.595 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.159 -0.119 1.660 1.00 0.00 C ATOM 601 CZ2 TRP A 44 4.963 -0.325 1.374 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.779 0.122 0.449 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.169 0.018 0.313 1.00 0.00 C ATOM 0 H TRP A 44 2.473 0.252 6.667 1.00 0.00 H new ATOM 0 HA TRP A 44 0.961 1.297 4.557 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.314 -1.547 5.583 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.568 -1.147 4.048 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.990 -1.325 5.758 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.865 -1.068 3.995 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.086 -0.037 1.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.035 -0.404 1.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.181 0.395 -0.408 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.623 0.212 -0.647 1.00 0.00 H new ATOM 614 N TYR A 45 -1.496 0.628 4.847 1.00 0.00 N ATOM 615 CA TYR A 45 -2.921 0.591 5.152 1.00 0.00 C ATOM 616 C TYR A 45 -3.715 0.027 3.977 1.00 0.00 C ATOM 617 O TYR A 45 -3.782 0.634 2.908 1.00 0.00 O ATOM 618 CB TYR A 45 -3.428 1.992 5.497 1.00 0.00 C ATOM 619 CG TYR A 45 -2.920 2.509 6.824 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.459 2.054 8.021 1.00 0.00 C ATOM 621 CD2 TYR A 45 -1.902 3.453 6.881 1.00 0.00 C ATOM 622 CE1 TYR A 45 -2.998 2.524 9.236 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.435 3.928 8.091 1.00 0.00 C ATOM 624 CZ TYR A 45 -1.986 3.461 9.266 1.00 0.00 C ATOM 625 OH TYR A 45 -1.524 3.932 10.473 1.00 0.00 O ATOM 0 H TYR A 45 -1.279 0.775 3.861 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.065 -0.062 6.013 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.128 2.682 4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.518 1.981 5.514 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.252 1.321 8.002 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.468 3.822 5.963 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.428 2.160 10.157 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.643 4.661 8.117 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.810 4.585 10.318 1.00 0.00 H new ATOM 635 N LYS A 46 -4.317 -1.140 4.184 1.00 0.00 N ATOM 636 CA LYS A 46 -5.108 -1.788 3.145 1.00 0.00 C ATOM 637 C LYS A 46 -6.579 -1.402 3.262 1.00 0.00 C ATOM 638 O LYS A 46 -7.173 -1.497 4.336 1.00 0.00 O ATOM 639 CB LYS A 46 -4.961 -3.309 3.237 1.00 0.00 C ATOM 640 CG LYS A 46 -5.303 -4.032 1.946 1.00 0.00 C ATOM 641 CD LYS A 46 -5.083 -5.530 2.071 1.00 0.00 C ATOM 642 CE LYS A 46 -5.928 -6.303 1.070 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.275 -6.628 1.615 1.00 0.00 N ATOM 0 H LYS A 46 -4.272 -1.656 5.063 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.737 -1.451 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.936 -3.550 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.606 -3.680 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.343 -3.837 1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.690 -3.640 1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.029 -5.759 1.912 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.330 -5.852 3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.037 -5.717 0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.415 -7.225 0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.637 -7.489 1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.206 -6.785 2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.925 -5.838 1.429 1.00 0.00 H new ATOM 657 N ASP A 47 -7.162 -0.968 2.149 1.00 0.00 N ATOM 658 CA ASP A 47 -8.564 -0.569 2.126 1.00 0.00 C ATOM 659 C ASP A 47 -8.927 0.218 3.382 1.00 0.00 C ATOM 660 O ASP A 47 -10.026 0.082 3.916 1.00 0.00 O ATOM 661 CB ASP A 47 -9.464 -1.800 2.004 1.00 0.00 C ATOM 662 CG ASP A 47 -10.938 -1.446 2.043 1.00 0.00 C ATOM 663 OD1 ASP A 47 -11.367 -0.603 1.228 1.00 0.00 O ATOM 664 OD2 ASP A 47 -11.662 -2.012 2.889 1.00 0.00 O ATOM 0 H ASP A 47 -6.685 -0.884 1.251 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.719 0.073 1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.242 -2.318 1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.238 -2.493 2.814 1.00 0.00 H new ATOM 669 N GLY A 48 -7.992 1.041 3.848 1.00 0.00 N ATOM 670 CA GLY A 48 -8.232 1.837 5.037 1.00 0.00 C ATOM 671 C GLY A 48 -8.162 1.015 6.309 1.00 0.00 C ATOM 672 O GLY A 48 -8.923 1.245 7.249 1.00 0.00 O ATOM 0 H GLY A 48 -7.074 1.170 3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.498 2.641 5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.213 2.306 4.965 1.00 0.00 H new ATOM 676 N LYS A 49 -7.247 0.052 6.339 1.00 0.00 N ATOM 677 CA LYS A 49 -7.079 -0.808 7.504 1.00 0.00 C ATOM 678 C LYS A 49 -5.606 -0.938 7.877 1.00 0.00 C ATOM 679 O LYS A 49 -4.743 -1.059 7.008 1.00 0.00 O ATOM 680 CB LYS A 49 -7.671 -2.193 7.230 1.00 0.00 C ATOM 681 CG LYS A 49 -9.190 -2.211 7.203 1.00 0.00 C ATOM 682 CD LYS A 49 -9.733 -3.623 7.341 1.00 0.00 C ATOM 683 CE LYS A 49 -9.960 -3.992 8.799 1.00 0.00 C ATOM 684 NZ LYS A 49 -11.075 -4.967 8.957 1.00 0.00 N ATOM 0 H LYS A 49 -6.610 -0.152 5.569 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.608 -0.352 8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.295 -2.557 6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.321 -2.886 7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.577 -1.591 8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.543 -1.774 6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.671 -3.709 6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.035 -4.328 6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.045 -4.416 9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.181 -3.091 9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.198 -5.193 9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.954 -4.553 8.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.853 -5.837 8.432 1.00 0.00 H new ATOM 698 N LYS A 50 -5.325 -0.914 9.176 1.00 0.00 N ATOM 699 CA LYS A 50 -3.957 -1.032 9.665 1.00 0.00 C ATOM 700 C LYS A 50 -3.406 -2.431 9.409 1.00 0.00 C ATOM 701 O LYS A 50 -3.973 -3.426 9.862 1.00 0.00 O ATOM 702 CB LYS A 50 -3.900 -0.717 11.162 1.00 0.00 C ATOM 703 CG LYS A 50 -2.487 -0.561 11.697 1.00 0.00 C ATOM 704 CD LYS A 50 -2.479 0.090 13.070 1.00 0.00 C ATOM 705 CE LYS A 50 -1.129 -0.065 13.753 1.00 0.00 C ATOM 706 NZ LYS A 50 -1.192 0.299 15.195 1.00 0.00 N ATOM 0 H LYS A 50 -6.027 -0.814 9.909 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.341 -0.313 9.124 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.455 0.201 11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.402 -1.513 11.712 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.009 -1.539 11.754 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.899 0.041 11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.719 1.149 12.973 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.255 -0.358 13.691 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.788 -1.095 13.653 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.394 0.564 13.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.252 0.180 15.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.493 1.290 15.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.875 -0.318 15.679 1.00 0.00 H new ATOM 720 N LEU A 51 -2.296 -2.501 8.681 1.00 0.00 N ATOM 721 CA LEU A 51 -1.667 -3.778 8.365 1.00 0.00 C ATOM 722 C LEU A 51 -0.693 -4.192 9.464 1.00 0.00 C ATOM 723 O LEU A 51 -0.197 -3.353 10.215 1.00 0.00 O ATOM 724 CB LEU A 51 -0.935 -3.692 7.025 1.00 0.00 C ATOM 725 CG LEU A 51 -1.820 -3.573 5.783 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.104 -2.794 4.690 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.222 -4.952 5.281 1.00 0.00 C ATOM 0 H LEU A 51 -1.814 -1.688 8.299 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.450 -4.533 8.296 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.266 -2.832 7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.310 -4.578 6.918 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.724 -3.029 6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.749 -2.720 3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.867 -1.794 5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.183 -3.310 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.851 -4.848 4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.328 -5.521 5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.775 -5.476 6.061 1.00 0.00 H new ATOM 739 N SER A 52 -0.423 -5.491 9.549 1.00 0.00 N ATOM 740 CA SER A 52 0.491 -6.016 10.557 1.00 0.00 C ATOM 741 C SER A 52 1.494 -6.981 9.931 1.00 0.00 C ATOM 742 O SER A 52 1.113 -7.980 9.320 1.00 0.00 O ATOM 743 CB SER A 52 -0.291 -6.724 11.665 1.00 0.00 C ATOM 744 OG SER A 52 0.487 -6.839 12.844 1.00 0.00 O ATOM 0 H SER A 52 -0.824 -6.198 8.933 1.00 0.00 H new ATOM 0 HA SER A 52 1.039 -5.178 10.987 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.205 -6.170 11.881 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.592 -7.715 11.326 1.00 0.00 H new ATOM 0 HG SER A 52 -0.035 -7.293 13.538 1.00 0.00 H new ATOM 750 N SER A 53 2.778 -6.674 10.087 1.00 0.00 N ATOM 751 CA SER A 53 3.836 -7.510 9.535 1.00 0.00 C ATOM 752 C SER A 53 3.770 -8.922 10.110 1.00 0.00 C ATOM 753 O SER A 53 4.285 -9.186 11.197 1.00 0.00 O ATOM 754 CB SER A 53 5.206 -6.893 9.824 1.00 0.00 C ATOM 755 OG SER A 53 6.201 -7.438 8.974 1.00 0.00 O ATOM 0 H SER A 53 3.110 -5.852 10.591 1.00 0.00 H new ATOM 0 HA SER A 53 3.692 -7.569 8.456 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.158 -5.813 9.687 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.476 -7.070 10.865 1.00 0.00 H new ATOM 0 HG SER A 53 7.086 -7.149 9.279 1.00 0.00 H new ATOM 761 N SER A 54 3.132 -9.825 9.373 1.00 0.00 N ATOM 762 CA SER A 54 2.993 -11.209 9.811 1.00 0.00 C ATOM 763 C SER A 54 3.652 -12.161 8.818 1.00 0.00 C ATOM 764 O SER A 54 3.955 -11.783 7.686 1.00 0.00 O ATOM 765 CB SER A 54 1.516 -11.569 9.976 1.00 0.00 C ATOM 766 OG SER A 54 0.983 -11.007 11.163 1.00 0.00 O ATOM 0 H SER A 54 2.703 -9.623 8.470 1.00 0.00 H new ATOM 0 HA SER A 54 3.494 -11.311 10.774 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.953 -11.209 9.115 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.403 -12.653 10.001 1.00 0.00 H new ATOM 0 HG SER A 54 0.037 -11.250 11.244 1.00 0.00 H new ATOM 772 N SER A 55 3.871 -13.399 9.250 1.00 0.00 N ATOM 773 CA SER A 55 4.498 -14.406 8.401 1.00 0.00 C ATOM 774 C SER A 55 4.062 -14.239 6.949 1.00 0.00 C ATOM 775 O SER A 55 4.838 -14.480 6.023 1.00 0.00 O ATOM 776 CB SER A 55 4.144 -15.810 8.894 1.00 0.00 C ATOM 777 OG SER A 55 5.155 -16.742 8.547 1.00 0.00 O ATOM 0 H SER A 55 3.624 -13.729 10.183 1.00 0.00 H new ATOM 0 HA SER A 55 5.578 -14.271 8.455 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.013 -15.797 9.976 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.193 -16.122 8.462 1.00 0.00 H new ATOM 0 HG SER A 55 4.906 -17.632 8.875 1.00 0.00 H new ATOM 783 N LYS A 56 2.815 -13.824 6.756 1.00 0.00 N ATOM 784 CA LYS A 56 2.273 -13.623 5.417 1.00 0.00 C ATOM 785 C LYS A 56 2.837 -12.353 4.787 1.00 0.00 C ATOM 786 O LYS A 56 3.454 -12.397 3.723 1.00 0.00 O ATOM 787 CB LYS A 56 0.746 -13.545 5.469 1.00 0.00 C ATOM 788 CG LYS A 56 0.079 -13.764 4.122 1.00 0.00 C ATOM 789 CD LYS A 56 -1.433 -13.665 4.225 1.00 0.00 C ATOM 790 CE LYS A 56 -2.121 -14.460 3.125 1.00 0.00 C ATOM 791 NZ LYS A 56 -3.574 -14.146 3.039 1.00 0.00 N ATOM 0 H LYS A 56 2.160 -13.620 7.511 1.00 0.00 H new ATOM 0 HA LYS A 56 2.566 -14.474 4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.376 -14.290 6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.453 -12.569 5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.445 -13.025 3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.355 -14.745 3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.757 -14.033 5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.735 -12.620 4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.645 -14.243 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.990 -15.526 3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.006 -14.708 2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.033 -14.377 3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.699 -13.134 2.836 1.00 0.00 H new ATOM 805 N VAL A 57 2.621 -11.223 5.452 1.00 0.00 N ATOM 806 CA VAL A 57 3.110 -9.941 4.959 1.00 0.00 C ATOM 807 C VAL A 57 4.255 -9.421 5.820 1.00 0.00 C ATOM 808 O VAL A 57 4.180 -9.442 7.049 1.00 0.00 O ATOM 809 CB VAL A 57 1.987 -8.887 4.926 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.523 -7.551 4.434 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.836 -9.363 4.053 1.00 0.00 C ATOM 0 H VAL A 57 2.111 -11.169 6.333 1.00 0.00 H new ATOM 0 HA VAL A 57 3.470 -10.109 3.944 1.00 0.00 H new ATOM 0 HB VAL A 57 1.611 -8.749 5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.716 -6.819 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.311 -7.207 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.927 -7.669 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.051 -8.606 4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.195 -9.530 3.037 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.436 -10.294 4.454 1.00 0.00 H new ATOM 821 N ARG A 58 5.314 -8.953 5.168 1.00 0.00 N ATOM 822 CA ARG A 58 6.476 -8.427 5.874 1.00 0.00 C ATOM 823 C ARG A 58 6.785 -7.001 5.428 1.00 0.00 C ATOM 824 O ARG A 58 6.829 -6.709 4.233 1.00 0.00 O ATOM 825 CB ARG A 58 7.693 -9.323 5.635 1.00 0.00 C ATOM 826 CG ARG A 58 9.015 -8.662 5.992 1.00 0.00 C ATOM 827 CD ARG A 58 10.196 -9.551 5.635 1.00 0.00 C ATOM 828 NE ARG A 58 10.182 -10.806 6.383 1.00 0.00 N ATOM 829 CZ ARG A 58 11.245 -11.589 6.524 1.00 0.00 C ATOM 830 NH1 ARG A 58 12.401 -11.250 5.971 1.00 0.00 N ATOM 831 NH2 ARG A 58 11.153 -12.716 7.219 1.00 0.00 N ATOM 0 H ARG A 58 5.391 -8.927 4.151 1.00 0.00 H new ATOM 0 HA ARG A 58 6.247 -8.414 6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.583 -10.235 6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.716 -9.619 4.586 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.102 -7.711 5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.035 -8.439 7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.178 -9.766 4.566 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.125 -9.018 5.838 1.00 0.00 H new ATOM 0 HE ARG A 58 9.308 -11.097 6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.476 -10.385 5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.216 -11.854 6.081 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.265 -12.981 7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.970 -13.317 7.327 1.00 0.00 H new ATOM 845 N VAL A 59 6.997 -6.116 6.397 1.00 0.00 N ATOM 846 CA VAL A 59 7.302 -4.721 6.104 1.00 0.00 C ATOM 847 C VAL A 59 8.808 -4.486 6.054 1.00 0.00 C ATOM 848 O VAL A 59 9.439 -4.225 7.077 1.00 0.00 O ATOM 849 CB VAL A 59 6.682 -3.779 7.153 1.00 0.00 C ATOM 850 CG1 VAL A 59 7.133 -2.345 6.917 1.00 0.00 C ATOM 851 CG2 VAL A 59 5.164 -3.880 7.127 1.00 0.00 C ATOM 0 H VAL A 59 6.963 -6.341 7.391 1.00 0.00 H new ATOM 0 HA VAL A 59 6.870 -4.501 5.128 1.00 0.00 H new ATOM 0 HB VAL A 59 7.028 -4.085 8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.685 -1.694 7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.219 -2.289 6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.819 -2.023 5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.742 -3.208 7.874 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.798 -3.600 6.139 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.864 -4.904 7.349 1.00 0.00 H new ATOM 861 N GLU A 60 9.377 -4.581 4.856 1.00 0.00 N ATOM 862 CA GLU A 60 10.809 -4.379 4.673 1.00 0.00 C ATOM 863 C GLU A 60 11.127 -2.903 4.452 1.00 0.00 C ATOM 864 O GLU A 60 10.440 -2.216 3.697 1.00 0.00 O ATOM 865 CB GLU A 60 11.316 -5.204 3.488 1.00 0.00 C ATOM 866 CG GLU A 60 11.777 -6.600 3.871 1.00 0.00 C ATOM 867 CD GLU A 60 12.717 -7.206 2.846 1.00 0.00 C ATOM 868 OE1 GLU A 60 13.827 -6.662 2.666 1.00 0.00 O ATOM 869 OE2 GLU A 60 12.343 -8.222 2.225 1.00 0.00 O ATOM 0 H GLU A 60 8.868 -4.796 3.999 1.00 0.00 H new ATOM 0 HA GLU A 60 11.315 -4.710 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.522 -5.284 2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.143 -4.674 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.277 -6.561 4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.907 -7.247 3.988 1.00 0.00 H new ATOM 876 N ALA A 61 12.172 -2.423 5.118 1.00 0.00 N ATOM 877 CA ALA A 61 12.582 -1.030 4.994 1.00 0.00 C ATOM 878 C ALA A 61 14.080 -0.920 4.729 1.00 0.00 C ATOM 879 O ALA A 61 14.880 -0.830 5.660 1.00 0.00 O ATOM 880 CB ALA A 61 12.208 -0.256 6.249 1.00 0.00 C ATOM 0 H ALA A 61 12.750 -2.978 5.749 1.00 0.00 H new ATOM 0 HA ALA A 61 12.056 -0.597 4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.520 0.783 6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.128 -0.297 6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.707 -0.698 7.111 1.00 0.00 H new ATOM 886 N VAL A 62 14.453 -0.928 3.453 1.00 0.00 N ATOM 887 CA VAL A 62 15.855 -0.829 3.066 1.00 0.00 C ATOM 888 C VAL A 62 16.235 0.612 2.744 1.00 0.00 C ATOM 889 O VAL A 62 15.726 1.202 1.792 1.00 0.00 O ATOM 890 CB VAL A 62 16.164 -1.715 1.845 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.243 -3.178 2.253 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.116 -1.511 0.761 1.00 0.00 C ATOM 0 H VAL A 62 13.804 -1.002 2.670 1.00 0.00 H new ATOM 0 HA VAL A 62 16.444 -1.176 3.915 1.00 0.00 H new ATOM 0 HB VAL A 62 17.133 -1.423 1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.462 -3.789 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 62 17.033 -3.307 2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.290 -3.488 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.349 -2.145 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.133 -1.775 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.114 -0.467 0.449 1.00 0.00 H new ATOM 902 N GLY A 63 17.135 1.174 3.545 1.00 0.00 N ATOM 903 CA GLY A 63 17.570 2.542 3.329 1.00 0.00 C ATOM 904 C GLY A 63 16.410 3.488 3.092 1.00 0.00 C ATOM 905 O GLY A 63 15.579 3.696 3.977 1.00 0.00 O ATOM 0 H GLY A 63 17.571 0.706 4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.139 2.880 4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.243 2.575 2.472 1.00 0.00 H new ATOM 909 N CYS A 64 16.353 4.063 1.896 1.00 0.00 N ATOM 910 CA CYS A 64 15.287 4.995 1.546 1.00 0.00 C ATOM 911 C CYS A 64 14.240 4.318 0.666 1.00 0.00 C ATOM 912 O CYS A 64 13.697 4.929 -0.254 1.00 0.00 O ATOM 913 CB CYS A 64 15.864 6.215 0.826 1.00 0.00 C ATOM 914 SG CYS A 64 16.995 7.200 1.835 1.00 0.00 S ATOM 0 H CYS A 64 17.032 3.900 1.153 1.00 0.00 H new ATOM 0 HA CYS A 64 14.805 5.320 2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.389 5.881 -0.069 1.00 0.00 H new ATOM 0 HB3 CYS A 64 15.043 6.850 0.495 1.00 0.00 H new ATOM 0 HG CYS A 64 17.432 8.207 1.139 1.00 0.00 H new ATOM 920 N THR A 65 13.963 3.050 0.955 1.00 0.00 N ATOM 921 CA THR A 65 12.984 2.289 0.189 1.00 0.00 C ATOM 922 C THR A 65 12.188 1.352 1.091 1.00 0.00 C ATOM 923 O THR A 65 12.762 0.585 1.865 1.00 0.00 O ATOM 924 CB THR A 65 13.659 1.463 -0.922 1.00 0.00 C ATOM 925 OG1 THR A 65 14.105 2.327 -1.973 1.00 0.00 O ATOM 926 CG2 THR A 65 12.699 0.426 -1.484 1.00 0.00 C ATOM 0 H THR A 65 14.403 2.529 1.714 1.00 0.00 H new ATOM 0 HA THR A 65 12.308 3.012 -0.266 1.00 0.00 H new ATOM 0 HB THR A 65 14.516 0.946 -0.490 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.534 1.794 -2.674 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.198 -0.145 -2.267 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.385 -0.248 -0.687 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.825 0.927 -1.901 1.00 0.00 H new ATOM 934 N ARG A 66 10.865 1.419 0.986 1.00 0.00 N ATOM 935 CA ARG A 66 9.991 0.577 1.793 1.00 0.00 C ATOM 936 C ARG A 66 9.192 -0.379 0.912 1.00 0.00 C ATOM 937 O ARG A 66 8.305 0.041 0.169 1.00 0.00 O ATOM 938 CB ARG A 66 9.038 1.440 2.623 1.00 0.00 C ATOM 939 CG ARG A 66 9.736 2.550 3.392 1.00 0.00 C ATOM 940 CD ARG A 66 10.496 2.004 4.591 1.00 0.00 C ATOM 941 NE ARG A 66 11.311 3.030 5.236 1.00 0.00 N ATOM 942 CZ ARG A 66 12.500 3.415 4.785 1.00 0.00 C ATOM 943 NH1 ARG A 66 13.009 2.863 3.692 1.00 0.00 N ATOM 944 NH2 ARG A 66 13.181 4.356 5.427 1.00 0.00 N ATOM 0 H ARG A 66 10.375 2.048 0.350 1.00 0.00 H new ATOM 0 HA ARG A 66 10.615 -0.011 2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.292 1.881 1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.503 0.802 3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.426 3.074 2.731 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.000 3.280 3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.789 1.596 5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.135 1.181 4.271 1.00 0.00 H new ATOM 0 HE ARG A 66 10.948 3.475 6.079 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.487 2.141 3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.922 3.161 3.348 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.792 4.784 6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.094 4.651 5.080 1.00 0.00 H new ATOM 958 N ARG A 67 9.513 -1.665 1.001 1.00 0.00 N ATOM 959 CA ARG A 67 8.826 -2.680 0.211 1.00 0.00 C ATOM 960 C ARG A 67 7.944 -3.554 1.097 1.00 0.00 C ATOM 961 O ARG A 67 8.262 -3.797 2.262 1.00 0.00 O ATOM 962 CB ARG A 67 9.841 -3.551 -0.533 1.00 0.00 C ATOM 963 CG ARG A 67 10.611 -4.498 0.373 1.00 0.00 C ATOM 964 CD ARG A 67 11.868 -5.020 -0.306 1.00 0.00 C ATOM 965 NE ARG A 67 11.566 -6.049 -1.298 1.00 0.00 N ATOM 966 CZ ARG A 67 12.491 -6.810 -1.872 1.00 0.00 C ATOM 967 NH1 ARG A 67 13.770 -6.659 -1.554 1.00 0.00 N ATOM 968 NH2 ARG A 67 12.139 -7.725 -2.765 1.00 0.00 N ATOM 0 H ARG A 67 10.244 -2.029 1.612 1.00 0.00 H new ATOM 0 HA ARG A 67 8.192 -2.171 -0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.320 -4.133 -1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.548 -2.906 -1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.881 -3.982 1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.972 -5.336 0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.390 -4.193 -0.788 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.544 -5.428 0.446 1.00 0.00 H new ATOM 0 HE ARG A 67 10.592 -6.191 -1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.045 -5.957 -0.867 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.478 -7.245 -1.996 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.157 -7.845 -3.012 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.851 -8.309 -3.205 1.00 0.00 H new ATOM 982 N LEU A 68 6.833 -4.023 0.539 1.00 0.00 N ATOM 983 CA LEU A 68 5.904 -4.870 1.278 1.00 0.00 C ATOM 984 C LEU A 68 5.681 -6.195 0.555 1.00 0.00 C ATOM 985 O LEU A 68 4.925 -6.266 -0.414 1.00 0.00 O ATOM 986 CB LEU A 68 4.568 -4.149 1.468 1.00 0.00 C ATOM 987 CG LEU A 68 3.582 -4.807 2.435 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.838 -4.338 3.859 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.149 -4.506 2.022 1.00 0.00 C ATOM 0 H LEU A 68 6.554 -3.831 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 68 6.340 -5.079 2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.771 -3.137 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.086 -4.058 0.495 1.00 0.00 H new ATOM 0 HG LEU A 68 3.731 -5.886 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.127 -4.816 4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.853 -4.605 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.717 -3.256 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.461 -4.982 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.987 -3.428 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.971 -4.892 1.018 1.00 0.00 H new ATOM 1001 N VAL A 69 6.344 -7.243 1.034 1.00 0.00 N ATOM 1002 CA VAL A 69 6.216 -8.566 0.436 1.00 0.00 C ATOM 1003 C VAL A 69 4.952 -9.268 0.920 1.00 0.00 C ATOM 1004 O VAL A 69 4.793 -9.533 2.112 1.00 0.00 O ATOM 1005 CB VAL A 69 7.436 -9.449 0.760 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.342 -10.779 0.029 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.726 -8.725 0.404 1.00 0.00 C ATOM 0 H VAL A 69 6.975 -7.201 1.834 1.00 0.00 H new ATOM 0 HA VAL A 69 6.158 -8.421 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 69 7.443 -9.651 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.212 -11.389 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.436 -11.301 0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.310 -10.602 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.578 -9.363 0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.730 -8.492 -0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.795 -7.801 0.978 1.00 0.00 H new ATOM 1017 N VAL A 70 4.054 -9.569 -0.013 1.00 0.00 N ATOM 1018 CA VAL A 70 2.804 -10.242 0.318 1.00 0.00 C ATOM 1019 C VAL A 70 2.824 -11.695 -0.142 1.00 0.00 C ATOM 1020 O VAL A 70 2.597 -11.988 -1.315 1.00 0.00 O ATOM 1021 CB VAL A 70 1.597 -9.530 -0.322 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.327 -10.340 -0.113 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.443 -8.127 0.247 1.00 0.00 C ATOM 0 H VAL A 70 4.169 -9.357 -1.004 1.00 0.00 H new ATOM 0 HA VAL A 70 2.704 -10.208 1.403 1.00 0.00 H new ATOM 0 HB VAL A 70 1.774 -9.446 -1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.515 -9.821 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.442 -11.322 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.142 -10.458 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.586 -7.639 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.289 -8.186 1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.344 -7.550 0.041 1.00 0.00 H new ATOM 1033 N GLN A 71 3.098 -12.601 0.791 1.00 0.00 N ATOM 1034 CA GLN A 71 3.148 -14.025 0.482 1.00 0.00 C ATOM 1035 C GLN A 71 1.750 -14.575 0.221 1.00 0.00 C ATOM 1036 O GLN A 71 0.785 -14.177 0.874 1.00 0.00 O ATOM 1037 CB GLN A 71 3.807 -14.795 1.628 1.00 0.00 C ATOM 1038 CG GLN A 71 5.210 -14.313 1.958 1.00 0.00 C ATOM 1039 CD GLN A 71 5.980 -15.299 2.814 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.420 -16.277 3.310 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.271 -15.046 2.992 1.00 0.00 N ATOM 0 H GLN A 71 3.289 -12.374 1.767 1.00 0.00 H new ATOM 0 HA GLN A 71 3.743 -14.154 -0.422 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.184 -14.709 2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.847 -15.853 1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.757 -14.138 1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.149 -13.357 2.478 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.694 -14.223 2.562 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.840 -15.674 3.559 1.00 0.00 H new ATOM 1050 N GLN A 72 1.648 -15.491 -0.737 1.00 0.00 N ATOM 1051 CA GLN A 72 0.367 -16.095 -1.083 1.00 0.00 C ATOM 1052 C GLN A 72 -0.646 -15.028 -1.485 1.00 0.00 C ATOM 1053 O GLN A 72 -1.776 -15.017 -0.999 1.00 0.00 O ATOM 1054 CB GLN A 72 -0.172 -16.910 0.093 1.00 0.00 C ATOM 1055 CG GLN A 72 0.361 -18.332 0.143 1.00 0.00 C ATOM 1056 CD GLN A 72 -0.106 -19.088 1.372 1.00 0.00 C ATOM 1057 OE1 GLN A 72 -1.277 -19.023 1.747 1.00 0.00 O ATOM 1058 NE2 GLN A 72 0.809 -19.811 2.006 1.00 0.00 N ATOM 0 H GLN A 72 2.437 -15.831 -1.287 1.00 0.00 H new ATOM 0 HA GLN A 72 0.525 -16.759 -1.933 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.083 -16.402 1.023 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.260 -16.941 0.035 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.042 -18.867 -0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.451 -18.308 0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.768 -19.836 1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.553 -20.341 2.839 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.233 -14.131 -2.375 1.00 0.00 N ATOM 1068 CA ALA A 73 -1.105 -13.061 -2.843 1.00 0.00 C ATOM 1069 C ALA A 73 -2.418 -13.619 -3.381 1.00 0.00 C ATOM 1070 O ALA A 73 -2.481 -14.106 -4.509 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.402 -12.237 -3.911 1.00 0.00 C ATOM 0 H ALA A 73 0.700 -14.124 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.335 -12.416 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.065 -11.441 -4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.506 -11.800 -3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.142 -12.878 -4.753 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.466 -13.545 -2.565 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.763 -14.047 -2.977 1.00 0.00 C ATOM 1079 C GLY A 74 -5.812 -12.955 -3.048 1.00 0.00 C ATOM 1080 O GLY A 74 -5.559 -11.817 -2.653 1.00 0.00 O ATOM 0 H GLY A 74 -3.439 -13.146 -1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.672 -14.523 -3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.090 -14.816 -2.277 1.00 0.00 H new ATOM 1084 N GLN A 75 -6.991 -13.301 -3.555 1.00 0.00 N ATOM 1085 CA GLN A 75 -8.081 -12.340 -3.678 1.00 0.00 C ATOM 1086 C GLN A 75 -8.061 -11.344 -2.523 1.00 0.00 C ATOM 1087 O GLN A 75 -8.030 -10.132 -2.736 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.427 -13.065 -3.719 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.554 -14.047 -4.872 1.00 0.00 C ATOM 1090 CD GLN A 75 -10.017 -13.385 -6.155 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -11.200 -13.421 -6.493 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -9.084 -12.775 -6.877 1.00 0.00 N ATOM 0 H GLN A 75 -7.216 -14.239 -3.887 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.944 -11.791 -4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.571 -13.599 -2.780 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.226 -12.327 -3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.591 -14.527 -5.043 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.258 -14.833 -4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.115 -12.770 -6.559 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.336 -12.312 -7.750 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.081 -11.863 -1.300 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.064 -11.020 -0.111 1.00 0.00 C ATOM 1103 C ALA A 76 -6.948 -9.983 -0.190 1.00 0.00 C ATOM 1104 O ALA A 76 -7.193 -8.784 -0.058 1.00 0.00 O ATOM 1105 CB ALA A 76 -7.908 -11.872 1.139 1.00 0.00 C ATOM 0 H ALA A 76 -8.109 -12.864 -1.107 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.015 -10.490 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.897 -11.229 2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.742 -12.570 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.973 -12.429 1.085 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.723 -10.454 -0.404 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.570 -9.566 -0.498 1.00 0.00 C ATOM 1113 C GLU A 77 -4.776 -8.520 -1.590 1.00 0.00 C ATOM 1114 O GLU A 77 -4.410 -7.357 -1.427 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.300 -10.371 -0.780 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.793 -11.150 0.422 1.00 0.00 C ATOM 1117 CD GLU A 77 -2.807 -10.328 1.697 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -1.800 -9.644 1.973 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -3.826 -10.371 2.418 1.00 0.00 O ATOM 0 H GLU A 77 -5.504 -11.444 -0.515 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.461 -9.052 0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.494 -11.066 -1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.517 -9.692 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.408 -12.039 0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.777 -11.493 0.226 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.365 -8.944 -2.703 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.621 -8.046 -3.822 1.00 0.00 C ATOM 1128 C ALA A 78 -6.515 -6.885 -3.400 1.00 0.00 C ATOM 1129 O ALA A 78 -7.549 -7.084 -2.763 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.253 -8.808 -4.977 1.00 0.00 C ATOM 0 H ALA A 78 -5.674 -9.904 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.667 -7.635 -4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.439 -8.125 -5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.578 -9.599 -5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.196 -9.247 -4.651 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.110 -5.670 -3.758 1.00 0.00 N ATOM 1137 CA GLY A 79 -6.885 -4.495 -3.407 1.00 0.00 C ATOM 1138 C GLY A 79 -6.111 -3.208 -3.608 1.00 0.00 C ATOM 1139 O GLY A 79 -5.408 -3.049 -4.605 1.00 0.00 O ATOM 0 H GLY A 79 -5.258 -5.479 -4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.792 -4.468 -4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.198 -4.568 -2.365 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.241 -2.286 -2.659 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.549 -1.005 -2.739 1.00 0.00 C ATOM 1145 C GLU A 80 -4.840 -0.687 -1.426 1.00 0.00 C ATOM 1146 O GLU A 80 -5.480 -0.382 -0.420 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.536 0.112 -3.082 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.817 0.241 -4.570 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.848 1.309 -4.878 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -7.809 2.375 -4.229 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -8.693 1.080 -5.769 1.00 0.00 O ATOM 0 H GLU A 80 -6.819 -2.402 -1.826 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.801 -1.074 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.474 -0.070 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.143 1.059 -2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.889 0.475 -5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.166 -0.717 -4.955 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.514 -0.761 -1.444 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.717 -0.484 -0.255 1.00 0.00 C ATOM 1160 C TYR A 81 -2.354 0.996 -0.174 1.00 0.00 C ATOM 1161 O TYR A 81 -2.346 1.700 -1.183 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.444 -1.333 -0.259 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.697 -2.805 -0.029 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.344 -3.577 -0.986 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -1.291 -3.425 1.147 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.579 -4.923 -0.780 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.520 -4.770 1.361 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.164 -5.515 0.395 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.395 -6.855 0.605 1.00 0.00 O ATOM 0 H TYR A 81 -2.968 -1.010 -2.269 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.315 -0.741 0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.935 -1.205 -1.215 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.769 -0.964 0.513 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.669 -3.117 -1.907 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.788 -2.845 1.906 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.084 -5.508 -1.534 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.197 -5.236 2.280 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.080 -7.171 -0.021 1.00 0.00 H new ATOM 1179 N SER A 82 -2.054 1.460 1.035 1.00 0.00 N ATOM 1180 CA SER A 82 -1.694 2.856 1.250 1.00 0.00 C ATOM 1181 C SER A 82 -0.563 2.975 2.267 1.00 0.00 C ATOM 1182 O SER A 82 -0.736 2.660 3.444 1.00 0.00 O ATOM 1183 CB SER A 82 -2.910 3.651 1.728 1.00 0.00 C ATOM 1184 OG SER A 82 -3.995 3.516 0.826 1.00 0.00 O ATOM 0 H SER A 82 -2.053 0.889 1.880 1.00 0.00 H new ATOM 0 HA SER A 82 -1.351 3.267 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.210 3.304 2.717 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.644 4.703 1.827 1.00 0.00 H new ATOM 0 HG SER A 82 -4.760 4.032 1.155 1.00 0.00 H new ATOM 1190 N CYS A 83 0.595 3.432 1.803 1.00 0.00 N ATOM 1191 CA CYS A 83 1.757 3.592 2.671 1.00 0.00 C ATOM 1192 C CYS A 83 1.777 4.980 3.302 1.00 0.00 C ATOM 1193 O CYS A 83 2.229 5.945 2.686 1.00 0.00 O ATOM 1194 CB CYS A 83 3.046 3.359 1.881 1.00 0.00 C ATOM 1195 SG CYS A 83 4.551 3.456 2.878 1.00 0.00 S ATOM 0 H CYS A 83 0.754 3.698 0.831 1.00 0.00 H new ATOM 0 HA CYS A 83 1.689 2.851 3.468 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.998 2.377 1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.106 4.095 1.079 1.00 0.00 H new ATOM 0 HG CYS A 83 5.405 4.247 2.299 1.00 0.00 H new ATOM 1201 N GLU A 84 1.282 5.072 4.532 1.00 0.00 N ATOM 1202 CA GLU A 84 1.241 6.344 5.245 1.00 0.00 C ATOM 1203 C GLU A 84 2.607 6.680 5.837 1.00 0.00 C ATOM 1204 O GLU A 84 3.378 5.789 6.192 1.00 0.00 O ATOM 1205 CB GLU A 84 0.189 6.298 6.355 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.446 7.646 6.648 1.00 0.00 C ATOM 1207 CD GLU A 84 -0.877 7.786 8.096 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -1.734 6.995 8.539 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -0.355 8.688 8.785 1.00 0.00 O ATOM 0 H GLU A 84 0.904 4.282 5.055 1.00 0.00 H new ATOM 0 HA GLU A 84 0.972 7.123 4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.592 5.591 6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.651 5.918 7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.263 8.438 6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.312 7.784 6.000 1.00 0.00 H new ATOM 1216 N ALA A 85 2.899 7.972 5.939 1.00 0.00 N ATOM 1217 CA ALA A 85 4.170 8.427 6.489 1.00 0.00 C ATOM 1218 C ALA A 85 4.173 9.940 6.685 1.00 0.00 C ATOM 1219 O ALA A 85 4.165 10.700 5.718 1.00 0.00 O ATOM 1220 CB ALA A 85 5.317 8.008 5.582 1.00 0.00 C ATOM 0 H ALA A 85 2.273 8.723 5.648 1.00 0.00 H new ATOM 0 HA ALA A 85 4.304 7.960 7.465 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.260 8.354 6.005 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.335 6.922 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.179 8.448 4.594 1.00 0.00 H new ATOM 1226 N GLY A 86 4.185 10.369 7.943 1.00 0.00 N ATOM 1227 CA GLY A 86 4.189 11.789 8.242 1.00 0.00 C ATOM 1228 C GLY A 86 2.908 12.475 7.812 1.00 0.00 C ATOM 1229 O GLY A 86 2.005 12.684 8.622 1.00 0.00 O ATOM 0 H GLY A 86 4.192 9.759 8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.332 11.931 9.313 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.035 12.260 7.742 1.00 0.00 H new ATOM 1233 N GLY A 87 2.828 12.829 6.533 1.00 0.00 N ATOM 1234 CA GLY A 87 1.645 13.494 6.019 1.00 0.00 C ATOM 1235 C GLY A 87 1.379 13.163 4.564 1.00 0.00 C ATOM 1236 O GLY A 87 0.748 13.941 3.850 1.00 0.00 O ATOM 0 H GLY A 87 3.562 12.667 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.781 13.206 6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.762 14.572 6.127 1.00 0.00 H new ATOM 1240 N GLN A 88 1.863 12.005 4.125 1.00 0.00 N ATOM 1241 CA GLN A 88 1.675 11.575 2.744 1.00 0.00 C ATOM 1242 C GLN A 88 1.365 10.083 2.677 1.00 0.00 C ATOM 1243 O GLN A 88 1.856 9.301 3.490 1.00 0.00 O ATOM 1244 CB GLN A 88 2.924 11.886 1.917 1.00 0.00 C ATOM 1245 CG GLN A 88 3.165 13.374 1.716 1.00 0.00 C ATOM 1246 CD GLN A 88 4.294 13.656 0.745 1.00 0.00 C ATOM 1247 OE1 GLN A 88 4.677 12.794 -0.047 1.00 0.00 O ATOM 1248 NE2 GLN A 88 4.834 14.868 0.800 1.00 0.00 N ATOM 0 H GLN A 88 2.387 11.349 4.704 1.00 0.00 H new ATOM 0 HA GLN A 88 0.828 12.123 2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.793 11.449 2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.833 11.406 0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.250 13.840 1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.394 13.834 2.677 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.485 15.552 1.472 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.597 15.115 0.170 1.00 0.00 H new ATOM 1257 N GLN A 89 0.548 9.697 1.702 1.00 0.00 N ATOM 1258 CA GLN A 89 0.172 8.299 1.529 1.00 0.00 C ATOM 1259 C GLN A 89 0.149 7.920 0.052 1.00 0.00 C ATOM 1260 O GLN A 89 -0.508 8.576 -0.758 1.00 0.00 O ATOM 1261 CB GLN A 89 -1.197 8.036 2.158 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.214 8.198 3.669 1.00 0.00 C ATOM 1263 CD GLN A 89 -2.560 8.660 4.191 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -2.788 9.855 4.381 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -3.461 7.714 4.427 1.00 0.00 N ATOM 0 H GLN A 89 0.134 10.333 1.020 1.00 0.00 H new ATOM 0 HA GLN A 89 0.918 7.683 2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.926 8.718 1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.515 7.024 1.906 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.954 7.248 4.135 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.449 8.917 3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.230 6.735 4.256 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.384 7.966 4.780 1.00 0.00 H new ATOM 1274 N LEU A 90 0.869 6.858 -0.292 1.00 0.00 N ATOM 1275 CA LEU A 90 0.931 6.391 -1.673 1.00 0.00 C ATOM 1276 C LEU A 90 0.026 5.180 -1.879 1.00 0.00 C ATOM 1277 O LEU A 90 0.034 4.244 -1.080 1.00 0.00 O ATOM 1278 CB LEU A 90 2.371 6.036 -2.047 1.00 0.00 C ATOM 1279 CG LEU A 90 3.373 7.191 -2.031 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.784 6.670 -1.808 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.293 7.984 -3.327 1.00 0.00 C ATOM 0 H LEU A 90 1.418 6.304 0.366 1.00 0.00 H new ATOM 0 HA LEU A 90 0.582 7.196 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.724 5.266 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.368 5.597 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 90 3.119 7.856 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.483 7.506 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.832 6.147 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.049 5.983 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.013 8.802 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.521 7.330 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.288 8.389 -3.444 1.00 0.00 H new ATOM 1293 N SER A 91 -0.750 5.205 -2.958 1.00 0.00 N ATOM 1294 CA SER A 91 -1.662 4.110 -3.269 1.00 0.00 C ATOM 1295 C SER A 91 -0.954 3.028 -4.079 1.00 0.00 C ATOM 1296 O SER A 91 -0.240 3.321 -5.038 1.00 0.00 O ATOM 1297 CB SER A 91 -2.874 4.632 -4.042 1.00 0.00 C ATOM 1298 OG SER A 91 -3.148 5.982 -3.710 1.00 0.00 O ATOM 0 H SER A 91 -0.766 5.971 -3.631 1.00 0.00 H new ATOM 0 HA SER A 91 -2.001 3.673 -2.330 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.690 4.548 -5.113 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.745 4.015 -3.819 1.00 0.00 H new ATOM 0 HG SER A 91 -3.926 6.293 -4.219 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.158 1.775 -3.686 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.540 0.648 -4.374 1.00 0.00 C ATOM 1306 C PHE A 92 -1.551 -0.472 -4.601 1.00 0.00 C ATOM 1307 O PHE A 92 -1.711 -1.358 -3.761 1.00 0.00 O ATOM 1308 CB PHE A 92 0.649 0.120 -3.567 1.00 0.00 C ATOM 1309 CG PHE A 92 1.877 0.977 -3.681 1.00 0.00 C ATOM 1310 CD1 PHE A 92 2.801 0.756 -4.690 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.109 2.003 -2.779 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.933 1.542 -4.798 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.238 2.793 -2.882 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.152 2.562 -3.892 1.00 0.00 C ATOM 0 H PHE A 92 -1.747 1.515 -2.895 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.186 0.997 -5.344 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.362 0.047 -2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.887 -0.889 -3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.635 -0.040 -5.401 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.399 2.187 -1.986 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.645 1.359 -5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.406 3.591 -2.173 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.036 3.177 -3.973 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.232 -0.424 -5.741 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.229 -1.432 -6.079 1.00 0.00 C ATOM 1326 C ARG A 93 -2.563 -2.755 -6.445 1.00 0.00 C ATOM 1327 O ARG A 93 -1.649 -2.795 -7.270 1.00 0.00 O ATOM 1328 CB ARG A 93 -4.101 -0.950 -7.240 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.519 -1.495 -7.205 1.00 0.00 C ATOM 1330 CD ARG A 93 -6.092 -1.649 -8.605 1.00 0.00 C ATOM 1331 NE ARG A 93 -7.542 -1.476 -8.625 1.00 0.00 N ATOM 1332 CZ ARG A 93 -8.140 -0.290 -8.648 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -7.417 0.821 -8.654 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -9.465 -0.214 -8.666 1.00 0.00 N ATOM 0 H ARG A 93 -2.111 0.303 -6.446 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.858 -1.591 -5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.139 0.139 -7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.632 -1.241 -8.180 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.526 -2.461 -6.700 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.153 -0.826 -6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -5.630 -0.917 -9.268 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -5.839 -2.635 -8.994 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.127 -2.311 -8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.399 0.767 -8.641 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.879 1.730 -8.672 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.025 -1.067 -8.662 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.923 0.697 -8.684 1.00 0.00 H new ATOM 1348 N LEU A 94 -3.025 -3.836 -5.825 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.473 -5.161 -6.084 1.00 0.00 C ATOM 1350 C LEU A 94 -3.505 -6.057 -6.761 1.00 0.00 C ATOM 1351 O LEU A 94 -4.626 -6.206 -6.274 1.00 0.00 O ATOM 1352 CB LEU A 94 -2.001 -5.803 -4.779 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.614 -7.280 -4.859 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.434 -7.473 -5.798 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.291 -7.823 -3.474 1.00 0.00 C ATOM 0 H LEU A 94 -3.780 -3.821 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.621 -5.048 -6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.141 -5.242 -4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.792 -5.695 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.463 -7.837 -5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.173 -8.530 -5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.702 -7.124 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.420 -6.904 -5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.018 -8.875 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.459 -7.262 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.165 -7.721 -2.830 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.119 -6.653 -7.884 1.00 0.00 N ATOM 1368 CA GLN A 95 -4.011 -7.536 -8.626 1.00 0.00 C ATOM 1369 C GLN A 95 -3.501 -8.973 -8.599 1.00 0.00 C ATOM 1370 O GLN A 95 -2.321 -9.229 -8.841 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.148 -7.059 -10.073 1.00 0.00 C ATOM 1372 CG GLN A 95 -5.018 -5.821 -10.225 1.00 0.00 C ATOM 1373 CD GLN A 95 -5.451 -5.585 -11.658 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -6.097 -6.435 -12.272 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -5.097 -4.425 -12.201 1.00 0.00 N ATOM 0 H GLN A 95 -2.195 -6.541 -8.300 1.00 0.00 H new ATOM 0 HA GLN A 95 -4.990 -7.508 -8.147 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.156 -6.847 -10.473 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.569 -7.865 -10.674 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.901 -5.923 -9.595 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.469 -4.950 -9.867 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.562 -3.749 -11.656 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.361 -4.211 -13.163 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.397 -9.909 -8.303 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.038 -11.321 -8.245 1.00 0.00 C ATOM 1386 C VAL A 96 -4.642 -12.090 -9.414 1.00 0.00 C ATOM 1387 O VAL A 96 -5.823 -11.941 -9.725 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.504 -11.965 -6.926 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.176 -13.450 -6.911 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -3.872 -11.259 -5.736 1.00 0.00 C ATOM 0 H VAL A 96 -5.377 -9.715 -8.100 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.951 -11.374 -8.302 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.586 -11.856 -6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.513 -13.888 -5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.681 -13.943 -7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.099 -13.586 -7.009 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.212 -11.727 -4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.787 -11.335 -5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.163 -10.209 -5.739 1.00 0.00 H new ATOM 1400 N ALA A 97 -3.823 -12.914 -10.060 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.277 -13.709 -11.194 1.00 0.00 C ATOM 1402 C ALA A 97 -4.574 -15.144 -10.774 1.00 0.00 C ATOM 1403 O ALA A 97 -3.662 -15.925 -10.506 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.236 -13.687 -12.304 1.00 0.00 C ATOM 0 H ALA A 97 -2.841 -13.048 -9.817 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.201 -13.269 -11.568 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.588 -14.285 -13.145 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.075 -12.660 -12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.299 -14.101 -11.932 1.00 0.00 H new