USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 709 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 91 GLN : amide:sc= -3.3 K(o=-3.3,f=-4.7!) USER MOD Set 1.2: A 95 SER OG : rot 133:sc= 0.0339 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -1.3! C(o=-1.3!,f=-3.7!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.86 USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= 0.607 (180deg=0.604) USER MOD Single : A 61 SER OG : rot 60:sc= 0.303 USER MOD Single : A 64 GLN : amide:sc= -0.0246 X(o=-0.025,f=-0.26) USER MOD Single : A 65 THR OG1 : rot -78:sc= 0.383 USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.148) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 160:sc= -1.05 (180deg=-2.47!) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.627 F(o=-1.4,f=-0.63) USER MOD Single : A 78 ASN : amide:sc= -3.26 K(o=-3.3,f=-9.1!) USER MOD Single : A 83 THR OG1 : rot 90:sc= 0.116 USER MOD Single : A 84 SER OG : rot -41:sc= 1.04 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0261 K(o=-0.026,f=-1.6!) USER MOD Single : A 97 GLN : amide:sc= -0.128 K(o=-0.13,f=-2!) USER MOD Single : A 98 SER OG : rot 57:sc= 0.189 USER MOD Single : A 104 CYS SG : rot 180:sc= -0.464 USER MOD Single : A 110 ASN :FLIP amide:sc= 0.591 F(o=-0.12,f=0.59) USER MOD Single : A 111 MET CE :methyl 175:sc= -1.45 (180deg=-1.47) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -8.345 -13.920 4.353 1.00 0.00 N ATOM 84 CA TYR A 9 -8.089 -14.521 3.055 1.00 0.00 C ATOM 85 C TYR A 9 -7.610 -15.966 3.204 1.00 0.00 C ATOM 86 O TYR A 9 -7.422 -16.449 4.320 1.00 0.00 O ATOM 87 CB TYR A 9 -6.974 -13.690 2.418 1.00 0.00 C ATOM 88 CG TYR A 9 -7.450 -12.369 1.810 1.00 0.00 C ATOM 89 CD1 TYR A 9 -8.383 -12.376 0.793 1.00 0.00 C ATOM 90 CD2 TYR A 9 -6.949 -11.172 2.279 1.00 0.00 C ATOM 91 CE1 TYR A 9 -8.833 -11.133 0.220 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.399 -9.929 1.706 1.00 0.00 C ATOM 93 CZ TYR A 9 -8.318 -9.971 0.706 1.00 0.00 C ATOM 94 OH TYR A 9 -8.744 -8.798 0.165 1.00 0.00 O ATOM 0 HA TYR A 9 -8.997 -14.534 2.453 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.217 -13.478 3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.492 -14.283 1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.776 -13.313 0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.220 -11.167 3.075 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.562 -11.124 -0.577 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.015 -8.985 2.063 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.293 -8.050 0.610 1.00 0.00 H new ATOM 104 N ILE A 10 -7.424 -16.615 2.065 1.00 0.00 N ATOM 105 CA ILE A 10 -6.970 -17.996 2.055 1.00 0.00 C ATOM 106 C ILE A 10 -5.444 -18.026 2.153 1.00 0.00 C ATOM 107 O ILE A 10 -4.851 -19.089 2.335 1.00 0.00 O ATOM 108 CB ILE A 10 -7.522 -18.732 0.832 1.00 0.00 C ATOM 109 CG1 ILE A 10 -7.163 -17.996 -0.460 1.00 0.00 C ATOM 110 CG2 ILE A 10 -9.029 -18.958 0.963 1.00 0.00 C ATOM 111 CD1 ILE A 10 -6.693 -18.977 -1.537 1.00 0.00 C ATOM 0 H ILE A 10 -7.579 -16.211 1.142 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.357 -18.531 2.922 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.052 -19.714 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.030 -17.442 -0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.379 -17.266 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.396 -19.483 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.231 -19.556 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.535 -17.996 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.444 -18.428 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.812 -19.511 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.488 -19.691 -1.751 1.00 0.00 H new ATOM 123 N PHE A 11 -4.851 -16.848 2.030 1.00 0.00 N ATOM 124 CA PHE A 11 -3.404 -16.727 2.103 1.00 0.00 C ATOM 125 C PHE A 11 -2.980 -15.983 3.371 1.00 0.00 C ATOM 126 O PHE A 11 -3.788 -15.294 3.991 1.00 0.00 O ATOM 127 CB PHE A 11 -2.960 -15.920 0.881 1.00 0.00 C ATOM 128 CG PHE A 11 -3.737 -14.618 0.680 1.00 0.00 C ATOM 129 CD1 PHE A 11 -3.455 -13.532 1.449 1.00 0.00 C ATOM 130 CD2 PHE A 11 -4.709 -14.544 -0.268 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.176 -12.323 1.262 1.00 0.00 C ATOM 132 CE2 PHE A 11 -5.429 -13.335 -0.456 1.00 0.00 C ATOM 133 CZ PHE A 11 -5.147 -12.250 0.315 1.00 0.00 C ATOM 0 H PHE A 11 -5.346 -15.969 1.880 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.949 -17.717 2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.900 -15.687 0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.070 -16.538 -0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.683 -13.589 2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.934 -15.406 -0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.952 -11.461 1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.200 -13.277 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.695 -11.330 0.174 1.00 0.00 H new ATOM 143 N PRO A 12 -1.679 -16.153 3.729 1.00 0.00 N ATOM 144 CA PRO A 12 -1.138 -15.508 4.912 1.00 0.00 C ATOM 145 C PRO A 12 -0.911 -14.015 4.666 1.00 0.00 C ATOM 146 O PRO A 12 -0.162 -13.636 3.766 1.00 0.00 O ATOM 147 CB PRO A 12 0.147 -16.260 5.219 1.00 0.00 C ATOM 148 CG PRO A 12 0.517 -16.992 3.939 1.00 0.00 C ATOM 149 CD PRO A 12 -0.693 -16.963 3.019 1.00 0.00 C ATOM 0 HA PRO A 12 -1.820 -15.548 5.761 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.939 -15.574 5.519 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.003 -16.960 6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.372 -16.515 3.460 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.806 -18.020 4.157 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.445 -16.527 2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.070 -17.968 2.828 1.00 0.00 H new ATOM 157 N HIS A 13 -1.572 -13.206 5.482 1.00 0.00 N ATOM 158 CA HIS A 13 -1.452 -11.763 5.363 1.00 0.00 C ATOM 159 C HIS A 13 -1.206 -11.153 6.746 1.00 0.00 C ATOM 160 O HIS A 13 -1.438 -11.803 7.764 1.00 0.00 O ATOM 161 CB HIS A 13 -2.677 -11.170 4.664 1.00 0.00 C ATOM 162 CG HIS A 13 -3.805 -10.813 5.600 1.00 0.00 C ATOM 163 ND1 HIS A 13 -3.971 -11.410 6.838 1.00 0.00 N ATOM 164 CD2 HIS A 13 -4.822 -9.913 5.468 1.00 0.00 C ATOM 165 CE1 HIS A 13 -5.043 -10.887 7.416 1.00 0.00 C ATOM 166 NE2 HIS A 13 -5.569 -9.959 6.565 1.00 0.00 N ATOM 0 H HIS A 13 -2.192 -13.523 6.228 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.595 -11.517 4.736 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.374 -10.276 4.119 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.043 -11.884 3.926 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -3.370 -12.131 7.238 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.991 -9.272 4.616 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.432 -11.149 8.389 1.00 0.00 H new ATOM 174 N ALA A 14 -0.740 -9.913 6.736 1.00 0.00 N ATOM 175 CA ALA A 14 -0.461 -9.209 7.975 1.00 0.00 C ATOM 176 C ALA A 14 -1.088 -7.815 7.917 1.00 0.00 C ATOM 177 O ALA A 14 -0.555 -6.917 7.266 1.00 0.00 O ATOM 178 CB ALA A 14 1.051 -9.159 8.205 1.00 0.00 C ATOM 0 H ALA A 14 -0.549 -9.378 5.889 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.902 -9.734 8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.260 -8.631 9.135 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.443 -10.174 8.268 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.528 -8.637 7.376 1.00 0.00 H new ATOM 184 N ARG A 15 -2.210 -7.677 8.607 1.00 0.00 N ATOM 185 CA ARG A 15 -2.915 -6.406 8.642 1.00 0.00 C ATOM 186 C ARG A 15 -2.336 -5.508 9.736 1.00 0.00 C ATOM 187 O ARG A 15 -2.720 -5.614 10.899 1.00 0.00 O ATOM 188 CB ARG A 15 -4.410 -6.612 8.900 1.00 0.00 C ATOM 189 CG ARG A 15 -5.247 -6.068 7.741 1.00 0.00 C ATOM 190 CD ARG A 15 -6.408 -5.215 8.257 1.00 0.00 C ATOM 191 NE ARG A 15 -7.577 -6.074 8.547 1.00 0.00 N ATOM 192 CZ ARG A 15 -8.838 -5.625 8.624 1.00 0.00 C ATOM 193 NH1 ARG A 15 -9.100 -4.326 8.432 1.00 0.00 N ATOM 194 NH2 ARG A 15 -9.836 -6.478 8.894 1.00 0.00 N ATOM 0 H ARG A 15 -2.649 -8.423 9.146 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.787 -5.929 7.670 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.616 -7.674 9.035 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.695 -6.112 9.825 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.617 -5.471 7.082 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.635 -6.896 7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.106 -4.682 9.158 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.675 -4.462 7.515 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.414 -7.069 8.698 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.340 -3.677 8.227 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.060 -3.985 8.491 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.636 -7.467 9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.796 -6.138 8.953 1.00 0.00 H new ATOM 208 N ILE A 16 -1.421 -4.642 9.323 1.00 0.00 N ATOM 209 CA ILE A 16 -0.784 -3.725 10.253 1.00 0.00 C ATOM 210 C ILE A 16 -0.866 -2.303 9.696 1.00 0.00 C ATOM 211 O ILE A 16 -0.669 -2.088 8.501 1.00 0.00 O ATOM 212 CB ILE A 16 0.642 -4.183 10.565 1.00 0.00 C ATOM 213 CG1 ILE A 16 0.637 -5.374 11.525 1.00 0.00 C ATOM 214 CG2 ILE A 16 1.487 -3.022 11.094 1.00 0.00 C ATOM 215 CD1 ILE A 16 2.039 -5.973 11.663 1.00 0.00 C ATOM 0 H ILE A 16 -1.106 -4.556 8.357 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.309 -3.724 11.208 1.00 0.00 H new ATOM 0 HB ILE A 16 1.104 -4.520 9.637 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.276 -5.056 12.503 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.054 -6.135 11.162 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.496 -3.374 11.308 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.530 -2.232 10.344 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.038 -2.632 12.007 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.008 -6.818 12.351 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.387 -6.312 10.687 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.722 -5.216 12.049 1.00 0.00 H new ATOM 227 N LYS A 17 -1.157 -1.367 10.588 1.00 0.00 N ATOM 228 CA LYS A 17 -1.267 0.029 10.201 1.00 0.00 C ATOM 229 C LYS A 17 0.133 0.640 10.113 1.00 0.00 C ATOM 230 O LYS A 17 1.123 -0.018 10.428 1.00 0.00 O ATOM 231 CB LYS A 17 -2.205 0.776 11.149 1.00 0.00 C ATOM 232 CG LYS A 17 -1.614 0.853 12.559 1.00 0.00 C ATOM 233 CD LYS A 17 -2.092 2.113 13.285 1.00 0.00 C ATOM 234 CE LYS A 17 -2.580 1.779 14.696 1.00 0.00 C ATOM 235 NZ LYS A 17 -3.936 1.189 14.649 1.00 0.00 N ATOM 0 H LYS A 17 -1.320 -1.549 11.578 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.717 0.116 9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.384 1.782 10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.171 0.272 11.183 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.904 -0.031 13.128 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.526 0.853 12.502 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.279 2.837 13.339 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.898 2.580 12.719 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.890 1.081 15.170 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.591 2.682 15.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.252 0.968 15.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.595 1.867 14.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.916 0.316 14.083 1.00 0.00 H new ATOM 249 N ILE A 18 0.170 1.894 9.684 1.00 0.00 N ATOM 250 CA ILE A 18 1.432 2.602 9.551 1.00 0.00 C ATOM 251 C ILE A 18 1.318 3.969 10.227 1.00 0.00 C ATOM 252 O ILE A 18 0.428 4.753 9.904 1.00 0.00 O ATOM 253 CB ILE A 18 1.853 2.675 8.081 1.00 0.00 C ATOM 254 CG1 ILE A 18 1.770 1.299 7.417 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.244 3.296 7.940 1.00 0.00 C ATOM 256 CD1 ILE A 18 1.550 1.431 5.909 1.00 0.00 C ATOM 0 H ILE A 18 -0.653 2.437 9.424 1.00 0.00 H new ATOM 0 HA ILE A 18 2.229 2.060 10.060 1.00 0.00 H new ATOM 0 HB ILE A 18 1.154 3.327 7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.688 0.743 7.607 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.954 0.727 7.859 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.519 3.336 6.886 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.235 4.305 8.352 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.970 2.690 8.482 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.495 0.439 5.461 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.619 1.966 5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.380 1.983 5.467 1.00 0.00 H new ATOM 268 N THR A 19 2.234 4.214 11.153 1.00 0.00 N ATOM 269 CA THR A 19 2.247 5.473 11.879 1.00 0.00 C ATOM 270 C THR A 19 3.472 6.301 11.486 1.00 0.00 C ATOM 271 O THR A 19 4.519 5.748 11.150 1.00 0.00 O ATOM 272 CB THR A 19 2.181 5.158 13.374 1.00 0.00 C ATOM 273 OG1 THR A 19 2.369 3.747 13.441 1.00 0.00 O ATOM 274 CG2 THR A 19 0.783 5.375 13.957 1.00 0.00 C ATOM 0 H THR A 19 2.972 3.562 11.417 1.00 0.00 H new ATOM 0 HA THR A 19 1.383 6.086 11.624 1.00 0.00 H new ATOM 0 HB THR A 19 2.898 5.782 13.908 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.342 3.457 14.377 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.791 5.137 15.021 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.489 6.416 13.820 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.071 4.727 13.446 1.00 0.00 H new ATOM 449 N LEU A 32 5.580 9.143 5.411 1.00 0.00 N ATOM 450 CA LEU A 32 5.635 7.779 5.906 1.00 0.00 C ATOM 451 C LEU A 32 6.967 7.146 5.498 1.00 0.00 C ATOM 452 O LEU A 32 7.674 6.584 6.334 1.00 0.00 O ATOM 453 CB LEU A 32 4.410 6.990 5.441 1.00 0.00 C ATOM 454 CG LEU A 32 3.050 7.581 5.814 1.00 0.00 C ATOM 455 CD1 LEU A 32 1.921 6.889 5.047 1.00 0.00 C ATOM 456 CD2 LEU A 32 2.828 7.533 7.328 1.00 0.00 C ATOM 0 HA LEU A 32 5.597 7.767 6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.456 6.892 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.472 5.984 5.855 1.00 0.00 H new ATOM 0 HG LEU A 32 3.042 8.631 5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.965 7.329 5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.076 7.019 3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.917 5.826 5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.854 7.959 7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.865 6.498 7.668 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.608 8.107 7.828 1.00 0.00 H new ATOM 468 N GLY A 33 7.268 7.256 4.212 1.00 0.00 N ATOM 469 CA GLY A 33 8.502 6.701 3.683 1.00 0.00 C ATOM 470 C GLY A 33 8.264 5.319 3.072 1.00 0.00 C ATOM 471 O GLY A 33 8.880 4.338 3.487 1.00 0.00 O ATOM 0 H GLY A 33 6.679 7.721 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.912 7.371 2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.243 6.628 4.479 1.00 0.00 H new ATOM 475 N ILE A 34 7.369 5.285 2.095 1.00 0.00 N ATOM 476 CA ILE A 34 7.042 4.039 1.423 1.00 0.00 C ATOM 477 C ILE A 34 6.753 4.322 -0.053 1.00 0.00 C ATOM 478 O ILE A 34 6.050 5.277 -0.379 1.00 0.00 O ATOM 479 CB ILE A 34 5.900 3.324 2.148 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.596 1.975 1.493 1.00 0.00 C ATOM 481 CG2 ILE A 34 4.659 4.213 2.228 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.618 1.160 2.343 1.00 0.00 C ATOM 0 H ILE A 34 6.860 6.100 1.753 1.00 0.00 H new ATOM 0 HA ILE A 34 7.889 3.353 1.456 1.00 0.00 H new ATOM 0 HB ILE A 34 6.218 3.123 3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.175 2.135 0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.521 1.415 1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.863 3.680 2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.900 5.126 2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.328 4.467 1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.419 0.206 1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.053 0.981 3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.685 1.712 2.454 1.00 0.00 H new ATOM 494 N ARG A 35 7.310 3.473 -0.905 1.00 0.00 N ATOM 495 CA ARG A 35 7.121 3.619 -2.338 1.00 0.00 C ATOM 496 C ARG A 35 6.278 2.465 -2.883 1.00 0.00 C ATOM 497 O ARG A 35 6.706 1.311 -2.851 1.00 0.00 O ATOM 498 CB ARG A 35 8.464 3.652 -3.070 1.00 0.00 C ATOM 499 CG ARG A 35 8.972 5.088 -3.220 1.00 0.00 C ATOM 500 CD ARG A 35 10.113 5.163 -4.236 1.00 0.00 C ATOM 501 NE ARG A 35 10.155 6.507 -4.852 1.00 0.00 N ATOM 502 CZ ARG A 35 10.505 7.624 -4.198 1.00 0.00 C ATOM 503 NH1 ARG A 35 10.846 7.562 -2.903 1.00 0.00 N ATOM 504 NH2 ARG A 35 10.514 8.800 -4.838 1.00 0.00 N ATOM 0 H ARG A 35 7.892 2.682 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 35 6.604 4.563 -2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.196 3.059 -2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.357 3.196 -4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.155 5.735 -3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.315 5.459 -2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.062 4.949 -3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.975 4.405 -5.007 1.00 0.00 H new ATOM 0 HE ARG A 35 9.902 6.589 -5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.839 6.666 -2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.112 8.411 -2.405 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.255 8.846 -5.823 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.780 9.650 -4.340 1.00 0.00 H new ATOM 518 N ILE A 36 5.097 2.814 -3.369 1.00 0.00 N ATOM 519 CA ILE A 36 4.191 1.820 -3.920 1.00 0.00 C ATOM 520 C ILE A 36 3.887 2.167 -5.380 1.00 0.00 C ATOM 521 O ILE A 36 3.540 3.305 -5.692 1.00 0.00 O ATOM 522 CB ILE A 36 2.942 1.690 -3.046 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.263 0.966 -1.737 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.805 1.013 -3.812 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.039 0.924 -0.820 1.00 0.00 C ATOM 0 H ILE A 36 4.746 3.771 -3.393 1.00 0.00 H new ATOM 0 HA ILE A 36 4.658 0.835 -3.916 1.00 0.00 H new ATOM 0 HB ILE A 36 2.601 2.692 -2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.597 -0.049 -1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.085 1.471 -1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.929 0.933 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.555 1.606 -4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.119 0.017 -4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.294 0.404 0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.723 1.941 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.227 0.397 -1.321 1.00 0.00 H new ATOM 537 N VAL A 37 4.028 1.164 -6.234 1.00 0.00 N ATOM 538 CA VAL A 37 3.773 1.350 -7.653 1.00 0.00 C ATOM 539 C VAL A 37 2.596 0.468 -8.073 1.00 0.00 C ATOM 540 O VAL A 37 2.552 -0.716 -7.740 1.00 0.00 O ATOM 541 CB VAL A 37 5.046 1.070 -8.454 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.727 0.874 -9.938 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.074 2.186 -8.257 1.00 0.00 C ATOM 0 H VAL A 37 4.315 0.221 -5.972 1.00 0.00 H new ATOM 0 HA VAL A 37 3.496 2.384 -7.860 1.00 0.00 H new ATOM 0 HB VAL A 37 5.481 0.144 -8.079 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.649 0.676 -10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.047 0.030 -10.056 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.258 1.776 -10.331 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.969 1.962 -8.837 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.651 3.133 -8.592 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.335 2.258 -7.201 1.00 0.00 H new ATOM 553 N GLY A 38 1.671 1.077 -8.800 1.00 0.00 N ATOM 554 CA GLY A 38 0.496 0.362 -9.270 1.00 0.00 C ATOM 555 C GLY A 38 0.691 -0.126 -10.708 1.00 0.00 C ATOM 556 O GLY A 38 1.749 0.078 -11.298 1.00 0.00 O ATOM 0 H GLY A 38 1.711 2.058 -9.075 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.298 -0.488 -8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.376 1.014 -9.218 1.00 0.00 H new ATOM 560 N GLY A 39 -0.349 -0.762 -11.228 1.00 0.00 N ATOM 561 CA GLY A 39 -0.306 -1.280 -12.584 1.00 0.00 C ATOM 562 C GLY A 39 0.918 -2.175 -12.791 1.00 0.00 C ATOM 563 O GLY A 39 1.670 -1.995 -13.748 1.00 0.00 O ATOM 0 H GLY A 39 -1.226 -0.930 -10.734 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.214 -1.847 -12.790 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.280 -0.452 -13.293 1.00 0.00 H new ATOM 567 N LYS A 40 1.081 -3.122 -11.878 1.00 0.00 N ATOM 568 CA LYS A 40 2.200 -4.045 -11.948 1.00 0.00 C ATOM 569 C LYS A 40 1.670 -5.478 -12.023 1.00 0.00 C ATOM 570 O LYS A 40 0.789 -5.859 -11.254 1.00 0.00 O ATOM 571 CB LYS A 40 3.165 -3.806 -10.785 1.00 0.00 C ATOM 572 CG LYS A 40 4.620 -3.897 -11.251 1.00 0.00 C ATOM 573 CD LYS A 40 5.367 -5.003 -10.502 1.00 0.00 C ATOM 574 CE LYS A 40 6.873 -4.915 -10.756 1.00 0.00 C ATOM 575 NZ LYS A 40 7.407 -6.232 -11.171 1.00 0.00 N ATOM 0 H LYS A 40 0.456 -3.269 -11.086 1.00 0.00 H new ATOM 0 HA LYS A 40 2.780 -3.872 -12.854 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.980 -2.824 -10.350 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.984 -4.541 -10.001 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.651 -4.094 -12.323 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.118 -2.941 -11.088 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.169 -4.921 -9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.997 -5.977 -10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.075 -4.174 -11.530 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.381 -4.578 -9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.430 -6.154 -11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.232 -6.930 -10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.935 -6.538 -12.045 1.00 0.00 H new ATOM 589 N GLU A 41 2.230 -6.234 -12.957 1.00 0.00 N ATOM 590 CA GLU A 41 1.825 -7.617 -13.142 1.00 0.00 C ATOM 591 C GLU A 41 2.193 -8.447 -11.911 1.00 0.00 C ATOM 592 O GLU A 41 3.344 -8.439 -11.475 1.00 0.00 O ATOM 593 CB GLU A 41 2.449 -8.205 -14.408 1.00 0.00 C ATOM 594 CG GLU A 41 1.437 -9.060 -15.174 1.00 0.00 C ATOM 595 CD GLU A 41 2.076 -9.693 -16.411 1.00 0.00 C ATOM 596 OE1 GLU A 41 3.201 -10.217 -16.263 1.00 0.00 O ATOM 597 OE2 GLU A 41 1.425 -9.637 -17.477 1.00 0.00 O ATOM 0 H GLU A 41 2.960 -5.915 -13.593 1.00 0.00 H new ATOM 0 HA GLU A 41 0.742 -7.646 -13.264 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.808 -7.399 -15.048 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.315 -8.811 -14.143 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.049 -9.842 -14.521 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.589 -8.444 -15.474 1.00 0.00 H new ATOM 604 N ILE A 42 1.197 -9.145 -11.387 1.00 0.00 N ATOM 605 CA ILE A 42 1.402 -9.979 -10.216 1.00 0.00 C ATOM 606 C ILE A 42 1.894 -11.358 -10.657 1.00 0.00 C ATOM 607 O ILE A 42 1.429 -11.896 -11.662 1.00 0.00 O ATOM 608 CB ILE A 42 0.134 -10.023 -9.361 1.00 0.00 C ATOM 609 CG1 ILE A 42 -0.331 -8.612 -8.996 1.00 0.00 C ATOM 610 CG2 ILE A 42 0.338 -10.896 -8.121 1.00 0.00 C ATOM 611 CD1 ILE A 42 -1.848 -8.569 -8.795 1.00 0.00 C ATOM 0 H ILE A 42 0.245 -9.150 -11.752 1.00 0.00 H new ATOM 0 HA ILE A 42 2.176 -9.554 -9.576 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.659 -10.482 -9.952 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.170 -8.285 -8.085 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.045 -7.916 -9.784 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.578 -10.910 -7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.587 -11.912 -8.428 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.151 -10.489 -7.519 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.152 -7.555 -8.536 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.346 -8.874 -9.716 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.128 -9.248 -7.990 1.00 0.00 H new ATOM 623 N PRO A 43 2.853 -11.908 -9.864 1.00 0.00 N ATOM 624 CA PRO A 43 3.413 -13.215 -10.163 1.00 0.00 C ATOM 625 C PRO A 43 2.428 -14.329 -9.803 1.00 0.00 C ATOM 626 O PRO A 43 2.206 -15.245 -10.593 1.00 0.00 O ATOM 627 CB PRO A 43 4.704 -13.281 -9.364 1.00 0.00 C ATOM 628 CG PRO A 43 4.586 -12.209 -8.292 1.00 0.00 C ATOM 629 CD PRO A 43 3.427 -11.301 -8.667 1.00 0.00 C ATOM 0 HA PRO A 43 3.611 -13.356 -11.226 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.837 -14.267 -8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.568 -13.101 -10.003 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.415 -12.663 -7.316 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.511 -11.637 -8.220 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.694 -11.242 -7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.768 -10.284 -8.863 1.00 0.00 H new ATOM 637 N GLY A 44 1.864 -14.213 -8.609 1.00 0.00 N ATOM 638 CA GLY A 44 0.908 -15.199 -8.135 1.00 0.00 C ATOM 639 C GLY A 44 -0.261 -15.344 -9.111 1.00 0.00 C ATOM 640 O GLY A 44 -0.399 -16.372 -9.772 1.00 0.00 O ATOM 0 H GLY A 44 2.051 -13.452 -7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.404 -16.162 -8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.533 -14.905 -7.155 1.00 0.00 H new ATOM 644 N HIS A 45 -1.072 -14.299 -9.173 1.00 0.00 N ATOM 645 CA HIS A 45 -2.225 -14.297 -10.057 1.00 0.00 C ATOM 646 C HIS A 45 -1.824 -14.861 -11.422 1.00 0.00 C ATOM 647 O HIS A 45 -0.639 -14.971 -11.729 1.00 0.00 O ATOM 648 CB HIS A 45 -2.835 -12.897 -10.150 1.00 0.00 C ATOM 649 CG HIS A 45 -3.843 -12.593 -9.067 1.00 0.00 C ATOM 650 ND1 HIS A 45 -5.139 -12.191 -9.340 1.00 0.00 N ATOM 651 CD2 HIS A 45 -3.733 -12.639 -7.709 1.00 0.00 C ATOM 652 CE1 HIS A 45 -5.770 -12.004 -8.190 1.00 0.00 C ATOM 653 NE2 HIS A 45 -4.897 -12.282 -7.180 1.00 0.00 N ATOM 0 H HIS A 45 -0.954 -13.447 -8.625 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.003 -14.943 -9.649 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.034 -12.159 -10.104 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.316 -12.785 -11.122 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.848 -12.919 -7.157 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.796 -11.687 -8.073 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.104 -12.225 -6.183 1.00 0.00 H new ATOM 661 N SER A 46 -2.838 -15.203 -12.205 1.00 0.00 N ATOM 662 CA SER A 46 -2.607 -15.754 -13.530 1.00 0.00 C ATOM 663 C SER A 46 -2.190 -14.640 -14.494 1.00 0.00 C ATOM 664 O SER A 46 -1.264 -14.813 -15.284 1.00 0.00 O ATOM 665 CB SER A 46 -3.853 -16.469 -14.053 1.00 0.00 C ATOM 666 OG SER A 46 -4.020 -17.754 -13.459 1.00 0.00 O ATOM 0 H SER A 46 -3.820 -15.109 -11.947 1.00 0.00 H new ATOM 0 HA SER A 46 -1.803 -16.487 -13.461 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.733 -15.859 -13.850 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.782 -16.576 -15.135 1.00 0.00 H new ATOM 0 HG SER A 46 -4.828 -18.178 -13.818 1.00 0.00 H new ATOM 672 N GLY A 47 -2.895 -13.522 -14.396 1.00 0.00 N ATOM 673 CA GLY A 47 -2.609 -12.381 -15.249 1.00 0.00 C ATOM 674 C GLY A 47 -3.446 -11.167 -14.839 1.00 0.00 C ATOM 675 O GLY A 47 -4.504 -10.916 -15.414 1.00 0.00 O ATOM 0 H GLY A 47 -3.663 -13.382 -13.739 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.549 -12.134 -15.189 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.818 -12.637 -16.288 1.00 0.00 H new ATOM 679 N GLU A 48 -2.942 -10.447 -13.848 1.00 0.00 N ATOM 680 CA GLU A 48 -3.629 -9.267 -13.355 1.00 0.00 C ATOM 681 C GLU A 48 -2.626 -8.280 -12.756 1.00 0.00 C ATOM 682 O GLU A 48 -1.587 -8.684 -12.236 1.00 0.00 O ATOM 683 CB GLU A 48 -4.704 -9.644 -12.333 1.00 0.00 C ATOM 684 CG GLU A 48 -5.506 -8.415 -11.902 1.00 0.00 C ATOM 685 CD GLU A 48 -6.392 -7.911 -13.043 1.00 0.00 C ATOM 686 OE1 GLU A 48 -7.268 -8.694 -13.471 1.00 0.00 O ATOM 687 OE2 GLU A 48 -6.173 -6.754 -13.463 1.00 0.00 O ATOM 0 H GLU A 48 -2.065 -10.659 -13.373 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.127 -8.784 -14.196 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.375 -10.388 -12.763 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.237 -10.102 -11.461 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.124 -8.664 -11.039 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.825 -7.624 -11.589 1.00 0.00 H new ATOM 694 N ILE A 49 -2.971 -7.003 -12.848 1.00 0.00 N ATOM 695 CA ILE A 49 -2.114 -5.956 -12.321 1.00 0.00 C ATOM 696 C ILE A 49 -2.629 -5.525 -10.946 1.00 0.00 C ATOM 697 O ILE A 49 -3.798 -5.730 -10.624 1.00 0.00 O ATOM 698 CB ILE A 49 -1.998 -4.804 -13.322 1.00 0.00 C ATOM 699 CG1 ILE A 49 -3.373 -4.403 -13.859 1.00 0.00 C ATOM 700 CG2 ILE A 49 -1.024 -5.154 -14.449 1.00 0.00 C ATOM 701 CD1 ILE A 49 -3.376 -2.947 -14.328 1.00 0.00 C ATOM 0 H ILE A 49 -3.833 -6.671 -13.280 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.100 -6.329 -12.180 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.591 -3.938 -12.800 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.648 -5.056 -14.687 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.125 -4.540 -13.082 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.960 -4.319 -15.147 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.038 -5.353 -14.029 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.380 -6.040 -14.975 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.365 -2.688 -14.705 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.124 -2.295 -13.492 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.640 -2.819 -15.122 1.00 0.00 H new ATOM 713 N GLY A 50 -1.729 -4.937 -10.172 1.00 0.00 N ATOM 714 CA GLY A 50 -2.077 -4.475 -8.838 1.00 0.00 C ATOM 715 C GLY A 50 -1.068 -3.441 -8.335 1.00 0.00 C ATOM 716 O GLY A 50 -0.358 -2.824 -9.128 1.00 0.00 O ATOM 0 H GLY A 50 -0.760 -4.770 -10.442 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.076 -4.038 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.108 -5.322 -8.152 1.00 0.00 H new ATOM 720 N ALA A 51 -1.036 -3.283 -7.020 1.00 0.00 N ATOM 721 CA ALA A 51 -0.126 -2.334 -6.402 1.00 0.00 C ATOM 722 C ALA A 51 0.785 -3.074 -5.418 1.00 0.00 C ATOM 723 O ALA A 51 0.342 -3.989 -4.725 1.00 0.00 O ATOM 724 CB ALA A 51 -0.929 -1.221 -5.728 1.00 0.00 C ATOM 0 H ALA A 51 -1.626 -3.796 -6.365 1.00 0.00 H new ATOM 0 HA ALA A 51 0.510 -1.867 -7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.246 -0.509 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.537 -0.708 -6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.578 -1.651 -4.965 1.00 0.00 H new ATOM 730 N TYR A 52 2.040 -2.650 -5.390 1.00 0.00 N ATOM 731 CA TYR A 52 3.015 -3.261 -4.504 1.00 0.00 C ATOM 732 C TYR A 52 4.093 -2.253 -4.097 1.00 0.00 C ATOM 733 O TYR A 52 4.258 -1.221 -4.745 1.00 0.00 O ATOM 734 CB TYR A 52 3.667 -4.389 -5.307 1.00 0.00 C ATOM 735 CG TYR A 52 4.759 -3.918 -6.269 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.419 -3.218 -7.409 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.083 -4.193 -5.997 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.447 -2.776 -8.314 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.111 -3.750 -6.902 1.00 0.00 C ATOM 740 CZ TYR A 52 6.743 -3.063 -8.016 1.00 0.00 C ATOM 741 OH TYR A 52 7.713 -2.644 -8.872 1.00 0.00 O ATOM 0 H TYR A 52 2.403 -1.891 -5.966 1.00 0.00 H new ATOM 0 HA TYR A 52 2.534 -3.619 -3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.095 -5.113 -4.614 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.896 -4.909 -5.876 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.382 -3.002 -7.622 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.348 -4.741 -5.105 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.195 -2.228 -9.210 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.151 -3.959 -6.701 1.00 0.00 H new ATOM 0 HH TYR A 52 8.590 -2.918 -8.532 1.00 0.00 H new ATOM 751 N ILE A 53 4.797 -2.589 -3.027 1.00 0.00 N ATOM 752 CA ILE A 53 5.854 -1.726 -2.526 1.00 0.00 C ATOM 753 C ILE A 53 7.085 -1.862 -3.424 1.00 0.00 C ATOM 754 O ILE A 53 7.762 -2.889 -3.405 1.00 0.00 O ATOM 755 CB ILE A 53 6.133 -2.022 -1.051 1.00 0.00 C ATOM 756 CG1 ILE A 53 4.868 -1.850 -0.208 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.290 -1.168 -0.530 1.00 0.00 C ATOM 758 CD1 ILE A 53 4.933 -2.704 1.060 1.00 0.00 C ATOM 0 H ILE A 53 4.657 -3.446 -2.493 1.00 0.00 H new ATOM 0 HA ILE A 53 5.544 -0.682 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 53 6.438 -3.065 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.746 -0.801 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.994 -2.131 -0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.468 -1.398 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.190 -1.384 -1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.038 -0.112 -0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.022 -2.563 1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.030 -3.755 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.794 -2.404 1.657 1.00 0.00 H new ATOM 770 N ALA A 54 7.339 -0.810 -4.188 1.00 0.00 N ATOM 771 CA ALA A 54 8.476 -0.798 -5.092 1.00 0.00 C ATOM 772 C ALA A 54 9.766 -0.948 -4.283 1.00 0.00 C ATOM 773 O ALA A 54 10.561 -1.853 -4.537 1.00 0.00 O ATOM 774 CB ALA A 54 8.456 0.487 -5.923 1.00 0.00 C ATOM 0 H ALA A 54 6.776 0.041 -4.199 1.00 0.00 H new ATOM 0 HA ALA A 54 8.422 -1.636 -5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.309 0.495 -6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.533 0.532 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.511 1.350 -5.260 1.00 0.00 H new ATOM 780 N LYS A 55 9.935 -0.050 -3.325 1.00 0.00 N ATOM 781 CA LYS A 55 11.114 -0.071 -2.477 1.00 0.00 C ATOM 782 C LYS A 55 10.794 0.616 -1.147 1.00 0.00 C ATOM 783 O LYS A 55 10.220 1.704 -1.130 1.00 0.00 O ATOM 784 CB LYS A 55 12.312 0.536 -3.210 1.00 0.00 C ATOM 785 CG LYS A 55 13.281 1.196 -2.226 1.00 0.00 C ATOM 786 CD LYS A 55 14.024 0.144 -1.400 1.00 0.00 C ATOM 787 CE LYS A 55 15.334 0.708 -0.847 1.00 0.00 C ATOM 788 NZ LYS A 55 15.663 0.079 0.451 1.00 0.00 N ATOM 0 H LYS A 55 9.274 0.698 -3.117 1.00 0.00 H new ATOM 0 HA LYS A 55 11.398 -1.098 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.831 -0.241 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.965 1.273 -3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.999 1.808 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.732 1.864 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.392 -0.191 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.232 -0.729 -2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.141 0.532 -1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.248 1.788 -0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.572 0.449 0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.917 0.297 1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.732 -0.952 0.330 1.00 0.00 H new ATOM 802 N ILE A 56 11.179 -0.047 -0.068 1.00 0.00 N ATOM 803 CA ILE A 56 10.941 0.486 1.263 1.00 0.00 C ATOM 804 C ILE A 56 12.064 1.459 1.627 1.00 0.00 C ATOM 805 O ILE A 56 13.213 1.053 1.793 1.00 0.00 O ATOM 806 CB ILE A 56 10.762 -0.651 2.271 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.497 -1.457 1.970 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.773 -0.117 3.705 1.00 0.00 C ATOM 809 CD1 ILE A 56 9.020 -2.214 3.211 1.00 0.00 C ATOM 0 H ILE A 56 11.655 -0.949 -0.087 1.00 0.00 H new ATOM 0 HA ILE A 56 10.009 1.051 1.286 1.00 0.00 H new ATOM 0 HB ILE A 56 11.608 -1.331 2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.710 -0.788 1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.695 -2.163 1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.644 -0.945 4.402 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.724 0.378 3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.959 0.596 3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.119 -2.778 2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.800 -2.900 3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.800 -1.504 4.008 1.00 0.00 H new ATOM 821 N LEU A 57 11.692 2.727 1.738 1.00 0.00 N ATOM 822 CA LEU A 57 12.654 3.761 2.079 1.00 0.00 C ATOM 823 C LEU A 57 13.581 3.247 3.183 1.00 0.00 C ATOM 824 O LEU A 57 13.269 2.262 3.851 1.00 0.00 O ATOM 825 CB LEU A 57 11.935 5.064 2.437 1.00 0.00 C ATOM 826 CG LEU A 57 11.564 5.970 1.261 1.00 0.00 C ATOM 827 CD1 LEU A 57 11.210 7.378 1.744 1.00 0.00 C ATOM 828 CD2 LEU A 57 12.675 5.986 0.210 1.00 0.00 C ATOM 0 H LEU A 57 10.738 3.061 1.598 1.00 0.00 H new ATOM 0 HA LEU A 57 13.282 3.995 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.023 4.815 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.569 5.630 3.120 1.00 0.00 H new ATOM 0 HG LEU A 57 10.674 5.561 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.950 8.002 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.361 7.326 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.066 7.811 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.386 6.637 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.596 6.357 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.836 4.975 -0.165 1.00 0.00 H new ATOM 840 N PRO A 58 14.731 3.955 3.344 1.00 0.00 N ATOM 841 CA PRO A 58 15.704 3.580 4.355 1.00 0.00 C ATOM 842 C PRO A 58 15.224 3.976 5.752 1.00 0.00 C ATOM 843 O PRO A 58 15.348 5.133 6.151 1.00 0.00 O ATOM 844 CB PRO A 58 16.987 4.284 3.945 1.00 0.00 C ATOM 845 CG PRO A 58 16.568 5.392 2.992 1.00 0.00 C ATOM 846 CD PRO A 58 15.133 5.126 2.571 1.00 0.00 C ATOM 0 HA PRO A 58 15.857 2.502 4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 58 17.504 4.691 4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 58 17.675 3.591 3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.649 6.364 3.478 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.223 5.415 2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.492 5.981 2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.063 4.936 1.500 1.00 0.00 H new ATOM 854 N GLY A 59 14.685 2.993 6.458 1.00 0.00 N ATOM 855 CA GLY A 59 14.186 3.225 7.803 1.00 0.00 C ATOM 856 C GLY A 59 12.913 4.074 7.777 1.00 0.00 C ATOM 857 O GLY A 59 12.701 4.909 8.655 1.00 0.00 O ATOM 0 H GLY A 59 14.583 2.035 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.981 2.271 8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.950 3.727 8.397 1.00 0.00 H new ATOM 861 N GLY A 60 12.100 3.832 6.759 1.00 0.00 N ATOM 862 CA GLY A 60 10.854 4.566 6.607 1.00 0.00 C ATOM 863 C GLY A 60 9.838 4.148 7.671 1.00 0.00 C ATOM 864 O GLY A 60 10.215 3.675 8.743 1.00 0.00 O ATOM 0 H GLY A 60 12.279 3.139 6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.047 5.636 6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.441 4.387 5.614 1.00 0.00 H new ATOM 868 N SER A 61 8.569 4.338 7.340 1.00 0.00 N ATOM 869 CA SER A 61 7.496 3.986 8.254 1.00 0.00 C ATOM 870 C SER A 61 7.233 2.480 8.198 1.00 0.00 C ATOM 871 O SER A 61 7.183 1.815 9.231 1.00 0.00 O ATOM 872 CB SER A 61 6.219 4.761 7.927 1.00 0.00 C ATOM 873 OG SER A 61 6.291 6.117 8.360 1.00 0.00 O ATOM 0 H SER A 61 8.260 4.731 6.451 1.00 0.00 H new ATOM 0 HA SER A 61 7.804 4.256 9.264 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.043 4.733 6.852 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.368 4.274 8.402 1.00 0.00 H new ATOM 0 HG SER A 61 7.044 6.562 7.918 1.00 0.00 H new ATOM 879 N ALA A 62 7.071 1.985 6.979 1.00 0.00 N ATOM 880 CA ALA A 62 6.814 0.569 6.774 1.00 0.00 C ATOM 881 C ALA A 62 7.924 -0.248 7.437 1.00 0.00 C ATOM 882 O ALA A 62 7.653 -1.241 8.109 1.00 0.00 O ATOM 883 CB ALA A 62 6.695 0.285 5.276 1.00 0.00 C ATOM 0 H ALA A 62 7.113 2.539 6.124 1.00 0.00 H new ATOM 0 HA ALA A 62 5.871 0.278 7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.502 -0.777 5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.873 0.868 4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.625 0.561 4.778 1.00 0.00 H new ATOM 889 N GLU A 63 9.153 0.202 7.224 1.00 0.00 N ATOM 890 CA GLU A 63 10.306 -0.476 7.793 1.00 0.00 C ATOM 891 C GLU A 63 10.302 -0.341 9.317 1.00 0.00 C ATOM 892 O GLU A 63 10.785 -1.226 10.023 1.00 0.00 O ATOM 893 CB GLU A 63 11.608 0.066 7.198 1.00 0.00 C ATOM 894 CG GLU A 63 12.763 -0.911 7.428 1.00 0.00 C ATOM 895 CD GLU A 63 14.076 -0.161 7.664 1.00 0.00 C ATOM 896 OE1 GLU A 63 14.672 0.271 6.654 1.00 0.00 O ATOM 897 OE2 GLU A 63 14.453 -0.038 8.850 1.00 0.00 O ATOM 0 H GLU A 63 9.375 1.027 6.666 1.00 0.00 H new ATOM 0 HA GLU A 63 10.242 -1.535 7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.480 0.238 6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.846 1.029 7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.542 -1.545 8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.866 -1.568 6.565 1.00 0.00 H new ATOM 904 N GLN A 64 9.752 0.772 9.779 1.00 0.00 N ATOM 905 CA GLN A 64 9.680 1.033 11.207 1.00 0.00 C ATOM 906 C GLN A 64 8.886 -0.071 11.909 1.00 0.00 C ATOM 907 O GLN A 64 9.399 -0.730 12.812 1.00 0.00 O ATOM 908 CB GLN A 64 9.066 2.408 11.482 1.00 0.00 C ATOM 909 CG GLN A 64 10.124 3.388 11.994 1.00 0.00 C ATOM 910 CD GLN A 64 9.647 4.098 13.261 1.00 0.00 C ATOM 911 OE1 GLN A 64 8.490 4.458 13.404 1.00 0.00 O ATOM 912 NE2 GLN A 64 10.599 4.279 14.172 1.00 0.00 N ATOM 0 H GLN A 64 9.352 1.503 9.191 1.00 0.00 H new ATOM 0 HA GLN A 64 10.694 1.036 11.608 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.615 2.798 10.570 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.267 2.313 12.217 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.051 2.853 12.200 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.346 4.125 11.222 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.548 3.953 13.989 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.380 4.743 15.053 1.00 0.00 H new ATOM 921 N THR A 65 7.649 -0.239 11.468 1.00 0.00 N ATOM 922 CA THR A 65 6.780 -1.252 12.041 1.00 0.00 C ATOM 923 C THR A 65 7.556 -2.551 12.274 1.00 0.00 C ATOM 924 O THR A 65 7.513 -3.117 13.365 1.00 0.00 O ATOM 925 CB THR A 65 5.574 -1.423 11.115 1.00 0.00 C ATOM 926 OG1 THR A 65 6.144 -1.831 9.875 1.00 0.00 O ATOM 927 CG2 THR A 65 4.893 -0.092 10.791 1.00 0.00 C ATOM 0 H THR A 65 7.227 0.310 10.719 1.00 0.00 H new ATOM 0 HA THR A 65 6.413 -0.948 13.021 1.00 0.00 H new ATOM 0 HB THR A 65 4.853 -2.097 11.578 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.525 -1.052 9.418 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.044 -0.269 10.131 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.545 0.373 11.714 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.604 0.570 10.297 1.00 0.00 H new ATOM 935 N GLY A 66 8.247 -2.984 11.230 1.00 0.00 N ATOM 936 CA GLY A 66 9.031 -4.204 11.306 1.00 0.00 C ATOM 937 C GLY A 66 8.266 -5.386 10.707 1.00 0.00 C ATOM 938 O GLY A 66 8.577 -6.541 10.994 1.00 0.00 O ATOM 0 H GLY A 66 8.280 -2.511 10.327 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.973 -4.069 10.774 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.280 -4.417 12.346 1.00 0.00 H new ATOM 942 N LYS A 67 7.281 -5.056 9.886 1.00 0.00 N ATOM 943 CA LYS A 67 6.469 -6.076 9.244 1.00 0.00 C ATOM 944 C LYS A 67 6.463 -5.840 7.732 1.00 0.00 C ATOM 945 O LYS A 67 6.604 -6.781 6.953 1.00 0.00 O ATOM 946 CB LYS A 67 5.070 -6.117 9.865 1.00 0.00 C ATOM 947 CG LYS A 67 4.956 -7.256 10.881 1.00 0.00 C ATOM 948 CD LYS A 67 4.620 -8.578 10.185 1.00 0.00 C ATOM 949 CE LYS A 67 5.494 -9.715 10.719 1.00 0.00 C ATOM 950 NZ LYS A 67 6.688 -9.896 9.864 1.00 0.00 N ATOM 0 H LYS A 67 7.026 -4.097 9.650 1.00 0.00 H new ATOM 0 HA LYS A 67 6.897 -7.064 9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.857 -5.166 10.353 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.324 -6.247 9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.894 -7.356 11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.184 -7.020 11.613 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.568 -8.819 10.341 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.767 -8.475 9.110 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.801 -9.496 11.742 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.918 -10.640 10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.161 -10.788 10.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.399 -9.924 8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.345 -9.103 10.012 1.00 0.00 H new ATOM 964 N LEU A 68 6.297 -4.578 7.363 1.00 0.00 N ATOM 965 CA LEU A 68 6.272 -4.207 5.959 1.00 0.00 C ATOM 966 C LEU A 68 7.612 -4.566 5.315 1.00 0.00 C ATOM 967 O LEU A 68 8.667 -4.353 5.911 1.00 0.00 O ATOM 968 CB LEU A 68 5.889 -2.733 5.802 1.00 0.00 C ATOM 969 CG LEU A 68 4.396 -2.413 5.905 1.00 0.00 C ATOM 970 CD1 LEU A 68 4.156 -1.222 6.835 1.00 0.00 C ATOM 971 CD2 LEU A 68 3.785 -2.192 4.520 1.00 0.00 C ATOM 0 H LEU A 68 6.179 -3.800 8.012 1.00 0.00 H new ATOM 0 HA LEU A 68 5.504 -4.771 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.417 -2.158 6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.249 -2.386 4.833 1.00 0.00 H new ATOM 0 HG LEU A 68 3.891 -3.273 6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.087 -1.014 6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.534 -1.456 7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.676 -0.346 6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.724 -1.966 4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.288 -1.358 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.908 -3.094 3.920 1.00 0.00 H new ATOM 983 N MET A 69 7.528 -5.104 4.108 1.00 0.00 N ATOM 984 CA MET A 69 8.722 -5.495 3.378 1.00 0.00 C ATOM 985 C MET A 69 8.646 -5.039 1.919 1.00 0.00 C ATOM 986 O MET A 69 7.626 -4.506 1.483 1.00 0.00 O ATOM 987 CB MET A 69 8.876 -7.016 3.429 1.00 0.00 C ATOM 988 CG MET A 69 9.411 -7.467 4.790 1.00 0.00 C ATOM 989 SD MET A 69 10.843 -8.510 4.569 1.00 0.00 S ATOM 990 CE MET A 69 10.450 -9.822 5.715 1.00 0.00 C ATOM 0 H MET A 69 6.651 -5.279 3.617 1.00 0.00 H new ATOM 0 HA MET A 69 9.583 -5.017 3.845 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.913 -7.489 3.238 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.554 -7.343 2.641 1.00 0.00 H new ATOM 0 HG2 MET A 69 9.674 -6.598 5.393 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.637 -8.009 5.333 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.247 -10.566 5.703 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.352 -9.411 6.720 1.00 0.00 H new ATOM 0 HE3 MET A 69 9.511 -10.291 5.422 1.00 0.00 H new ATOM 1000 N GLU A 70 9.739 -5.264 1.205 1.00 0.00 N ATOM 1001 CA GLU A 70 9.809 -4.883 -0.196 1.00 0.00 C ATOM 1002 C GLU A 70 9.064 -5.901 -1.062 1.00 0.00 C ATOM 1003 O GLU A 70 8.732 -6.991 -0.598 1.00 0.00 O ATOM 1004 CB GLU A 70 11.262 -4.734 -0.651 1.00 0.00 C ATOM 1005 CG GLU A 70 11.967 -3.615 0.118 1.00 0.00 C ATOM 1006 CD GLU A 70 13.314 -4.091 0.667 1.00 0.00 C ATOM 1007 OE1 GLU A 70 14.195 -4.386 -0.170 1.00 0.00 O ATOM 1008 OE2 GLU A 70 13.432 -4.150 1.910 1.00 0.00 O ATOM 0 H GLU A 70 10.583 -5.705 1.570 1.00 0.00 H new ATOM 0 HA GLU A 70 9.325 -3.914 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.792 -5.674 -0.499 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.292 -4.520 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.120 -2.758 -0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.334 -3.278 0.939 1.00 0.00 H new ATOM 1015 N GLY A 71 8.824 -5.510 -2.304 1.00 0.00 N ATOM 1016 CA GLY A 71 8.124 -6.376 -3.239 1.00 0.00 C ATOM 1017 C GLY A 71 6.943 -7.073 -2.562 1.00 0.00 C ATOM 1018 O GLY A 71 6.748 -8.276 -2.730 1.00 0.00 O ATOM 0 H GLY A 71 9.101 -4.606 -2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.768 -5.790 -4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.813 -7.122 -3.635 1.00 0.00 H new ATOM 1022 N MET A 72 6.184 -6.288 -1.811 1.00 0.00 N ATOM 1023 CA MET A 72 5.027 -6.814 -1.107 1.00 0.00 C ATOM 1024 C MET A 72 3.730 -6.449 -1.834 1.00 0.00 C ATOM 1025 O MET A 72 3.379 -5.274 -1.930 1.00 0.00 O ATOM 1026 CB MET A 72 4.993 -6.250 0.314 1.00 0.00 C ATOM 1027 CG MET A 72 5.790 -7.135 1.275 1.00 0.00 C ATOM 1028 SD MET A 72 4.715 -8.349 2.021 1.00 0.00 S ATOM 1029 CE MET A 72 4.769 -7.806 3.721 1.00 0.00 C ATOM 0 H MET A 72 6.348 -5.291 -1.675 1.00 0.00 H new ATOM 0 HA MET A 72 5.109 -7.900 -1.073 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.404 -5.240 0.318 1.00 0.00 H new ATOM 0 HB3 MET A 72 3.960 -6.175 0.655 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.598 -7.633 0.739 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.252 -6.522 2.049 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.908 -8.205 4.258 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.686 -8.165 4.189 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.746 -6.717 3.756 1.00 0.00 H new ATOM 1039 N GLN A 73 3.056 -7.477 -2.325 1.00 0.00 N ATOM 1040 CA GLN A 73 1.805 -7.278 -3.039 1.00 0.00 C ATOM 1041 C GLN A 73 0.780 -6.591 -2.134 1.00 0.00 C ATOM 1042 O GLN A 73 0.269 -7.199 -1.196 1.00 0.00 O ATOM 1043 CB GLN A 73 1.263 -8.606 -3.574 1.00 0.00 C ATOM 1044 CG GLN A 73 -0.054 -8.397 -4.324 1.00 0.00 C ATOM 1045 CD GLN A 73 -0.709 -9.738 -4.665 1.00 0.00 C ATOM 1046 OE1 GLN A 73 -2.038 -9.716 -4.623 1.00 0.00 O flip ATOM 1047 NE2 GLN A 73 -0.051 -10.725 -4.947 1.00 0.00 N flip ATOM 0 H GLN A 73 3.351 -8.450 -2.243 1.00 0.00 H new ATOM 0 HA GLN A 73 1.996 -6.630 -3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.997 -9.061 -4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.109 -9.300 -2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.733 -7.801 -3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.130 -7.835 -5.239 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.968 -10.672 -4.961 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.519 -11.604 -5.169 1.00 0.00 H new ATOM 1056 N VAL A 74 0.511 -5.333 -2.449 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.444 -4.556 -1.677 1.00 0.00 C ATOM 1058 C VAL A 74 -1.860 -4.855 -2.175 1.00 0.00 C ATOM 1059 O VAL A 74 -2.232 -4.454 -3.277 1.00 0.00 O ATOM 1060 CB VAL A 74 -0.088 -3.070 -1.746 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -1.110 -2.225 -0.984 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.329 -2.821 -1.223 1.00 0.00 C ATOM 0 H VAL A 74 0.938 -4.832 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.403 -4.838 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.117 -2.767 -2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.833 -1.173 -1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.098 -2.368 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.128 -2.531 0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.557 -1.757 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.397 -3.149 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.043 -3.380 -1.827 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.610 -5.558 -1.339 1.00 0.00 N ATOM 1073 CA LEU A 75 -3.977 -5.915 -1.681 1.00 0.00 C ATOM 1074 C LEU A 75 -4.870 -4.679 -1.553 1.00 0.00 C ATOM 1075 O LEU A 75 -5.515 -4.273 -2.518 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.446 -7.103 -0.838 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.459 -8.265 -0.706 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.655 -9.003 0.619 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.558 -9.206 -1.907 1.00 0.00 C ATOM 0 H LEU A 75 -2.298 -5.890 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.037 -6.245 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.686 -6.741 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.371 -7.486 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.448 -7.856 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.941 -9.824 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.494 -8.313 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.669 -9.399 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.846 -10.023 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.568 -9.611 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.330 -8.656 -2.820 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.879 -4.117 -0.354 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.681 -2.935 -0.087 1.00 0.00 C ATOM 1093 C GLU A 76 -4.876 -1.917 0.721 1.00 0.00 C ATOM 1094 O GLU A 76 -3.999 -2.290 1.499 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.979 -3.305 0.633 1.00 0.00 C ATOM 1096 CG GLU A 76 -8.043 -3.774 -0.360 1.00 0.00 C ATOM 1097 CD GLU A 76 -8.979 -4.801 0.282 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -9.465 -4.507 1.396 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -9.185 -5.857 -0.355 1.00 0.00 O ATOM 0 H GLU A 76 -4.344 -4.458 0.444 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.950 -2.480 -1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.783 -4.093 1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.349 -2.443 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.621 -2.919 -0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.561 -4.212 -1.234 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.202 -0.650 0.510 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.519 0.425 1.211 1.00 0.00 C ATOM 1108 C TRP A 77 -5.582 1.345 1.814 1.00 0.00 C ATOM 1109 O TRP A 77 -6.455 1.842 1.103 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.552 1.158 0.280 1.00 0.00 C ATOM 1111 CG TRP A 77 -3.097 2.522 0.804 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.672 3.716 0.608 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.939 2.784 1.626 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.973 4.724 1.239 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.886 4.139 1.878 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.969 1.904 2.138 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.881 4.736 2.649 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.028 2.516 2.908 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.095 3.879 3.171 1.00 0.00 C ATOM 0 H TRP A 77 -5.930 -0.344 -0.136 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.902 0.030 2.018 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.675 0.532 0.118 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.030 1.294 -0.690 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.570 3.870 0.029 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -3.210 5.716 1.237 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.991 0.840 1.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.860 5.800 2.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.798 1.885 3.326 1.00 0.00 H new ATOM 0 HH2 TRP A 77 0.897 4.276 3.776 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.474 1.545 3.119 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.415 2.398 3.827 1.00 0.00 C ATOM 1132 C ASN A 78 -7.841 1.923 3.539 1.00 0.00 C ATOM 1133 O ASN A 78 -8.774 2.724 3.529 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.297 3.851 3.364 1.00 0.00 C ATOM 1135 CG ASN A 78 -5.334 4.635 4.258 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -5.264 4.440 5.460 1.00 0.00 O ATOM 1137 ND2 ASN A 78 -4.598 5.530 3.605 1.00 0.00 N ATOM 0 H ASN A 78 -4.749 1.131 3.705 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.189 2.340 4.892 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -5.947 3.880 2.332 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.280 4.323 3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.925 6.104 4.112 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.707 5.642 2.597 1.00 0.00 H new ATOM 1144 N GLY A 79 -7.964 0.623 3.314 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.260 0.034 3.027 1.00 0.00 C ATOM 1146 C GLY A 79 -9.566 0.083 1.529 1.00 0.00 C ATOM 1147 O GLY A 79 -10.133 -0.858 0.976 1.00 0.00 O ATOM 0 H GLY A 79 -7.187 -0.038 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.278 -1.000 3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.035 0.567 3.578 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.178 1.191 0.915 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.403 1.375 -0.509 1.00 0.00 C ATOM 1153 C ILE A 80 -8.500 0.422 -1.292 1.00 0.00 C ATOM 1154 O ILE A 80 -7.284 0.418 -1.104 1.00 0.00 O ATOM 1155 CB ILE A 80 -9.226 2.846 -0.893 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -10.214 3.735 -0.135 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -9.331 3.033 -2.407 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -9.575 4.315 1.127 1.00 0.00 C ATOM 0 H ILE A 80 -8.709 1.970 1.377 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.431 1.123 -0.768 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.224 3.157 -0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.549 4.545 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.097 3.156 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.202 4.087 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.556 2.447 -2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.311 2.698 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.299 4.943 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.263 3.503 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.707 4.914 0.853 1.00 0.00 H new ATOM 1170 N PRO A 81 -9.145 -0.385 -2.176 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.413 -1.342 -2.989 1.00 0.00 C ATOM 1172 C PRO A 81 -7.665 -0.638 -4.124 1.00 0.00 C ATOM 1173 O PRO A 81 -8.189 0.293 -4.734 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.463 -2.320 -3.487 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.801 -1.617 -3.321 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.583 -0.409 -2.425 1.00 0.00 C ATOM 0 HA PRO A 81 -7.637 -1.863 -2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.287 -2.584 -4.530 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.436 -3.247 -2.915 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.193 -1.308 -4.290 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.535 -2.292 -2.881 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.916 0.509 -2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.144 -0.500 -1.495 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.452 -1.110 -4.372 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.627 -0.537 -5.422 1.00 0.00 C ATOM 1186 C LEU A 82 -5.218 -1.640 -6.401 1.00 0.00 C ATOM 1187 O LEU A 82 -4.228 -1.503 -7.117 1.00 0.00 O ATOM 1188 CB LEU A 82 -4.443 0.222 -4.820 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.939 -0.285 -3.467 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -3.740 -1.802 -3.490 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -2.668 0.454 -3.043 1.00 0.00 C ATOM 0 H LEU A 82 -6.021 -1.882 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.192 0.202 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.616 0.187 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.726 1.269 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.700 -0.071 -2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.381 -2.137 -2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.688 -2.290 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.008 -2.061 -4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.331 0.074 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.889 0.294 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.878 1.520 -2.960 1.00 0.00 H new ATOM 1203 N THR A 83 -6.001 -2.709 -6.399 1.00 0.00 N ATOM 1204 CA THR A 83 -5.731 -3.835 -7.277 1.00 0.00 C ATOM 1205 C THR A 83 -6.399 -3.622 -8.638 1.00 0.00 C ATOM 1206 O THR A 83 -7.488 -3.056 -8.716 1.00 0.00 O ATOM 1207 CB THR A 83 -6.192 -5.110 -6.568 1.00 0.00 C ATOM 1208 OG1 THR A 83 -5.356 -5.187 -5.417 1.00 0.00 O ATOM 1209 CG2 THR A 83 -5.855 -6.375 -7.359 1.00 0.00 C ATOM 0 H THR A 83 -6.822 -2.819 -5.804 1.00 0.00 H new ATOM 0 HA THR A 83 -4.665 -3.928 -7.483 1.00 0.00 H new ATOM 0 HB THR A 83 -7.268 -5.064 -6.400 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.778 -4.708 -4.673 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.204 -7.250 -6.811 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.345 -6.337 -8.332 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.776 -6.440 -7.498 1.00 0.00 H new ATOM 1217 N SER A 84 -5.717 -4.085 -9.675 1.00 0.00 N ATOM 1218 CA SER A 84 -6.231 -3.951 -11.027 1.00 0.00 C ATOM 1219 C SER A 84 -6.405 -2.472 -11.378 1.00 0.00 C ATOM 1220 O SER A 84 -7.275 -2.117 -12.171 1.00 0.00 O ATOM 1221 CB SER A 84 -7.558 -4.695 -11.188 1.00 0.00 C ATOM 1222 OG SER A 84 -8.073 -4.587 -12.512 1.00 0.00 O ATOM 0 H SER A 84 -4.813 -4.553 -9.606 1.00 0.00 H new ATOM 0 HA SER A 84 -5.510 -4.397 -11.712 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.417 -5.747 -10.939 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.286 -4.295 -10.482 1.00 0.00 H new ATOM 0 HG SER A 84 -7.947 -3.672 -12.838 1.00 0.00 H new ATOM 1228 N LYS A 85 -5.563 -1.650 -10.769 1.00 0.00 N ATOM 1229 CA LYS A 85 -5.614 -0.217 -11.007 1.00 0.00 C ATOM 1230 C LYS A 85 -4.355 0.215 -11.760 1.00 0.00 C ATOM 1231 O LYS A 85 -3.564 -0.625 -12.189 1.00 0.00 O ATOM 1232 CB LYS A 85 -5.834 0.536 -9.694 1.00 0.00 C ATOM 1233 CG LYS A 85 -6.950 -0.111 -8.871 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.077 0.888 -8.595 1.00 0.00 C ATOM 1235 CE LYS A 85 -8.855 0.502 -7.336 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.242 0.118 -7.682 1.00 0.00 N ATOM 0 H LYS A 85 -4.842 -1.948 -10.112 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.466 0.035 -11.639 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.910 0.545 -9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.088 1.575 -9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.347 -0.974 -9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.545 -0.478 -7.928 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.660 1.888 -8.477 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.754 0.923 -9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.357 -0.327 -6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.866 1.339 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.757 -0.141 -6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.720 0.919 -8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.226 -0.694 -8.331 1.00 0.00 H new ATOM 1250 N THR A 86 -4.205 1.524 -11.898 1.00 0.00 N ATOM 1251 CA THR A 86 -3.055 2.078 -12.592 1.00 0.00 C ATOM 1252 C THR A 86 -2.190 2.889 -11.625 1.00 0.00 C ATOM 1253 O THR A 86 -2.684 3.400 -10.622 1.00 0.00 O ATOM 1254 CB THR A 86 -3.568 2.894 -13.780 1.00 0.00 C ATOM 1255 OG1 THR A 86 -4.646 3.653 -13.240 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.226 2.021 -14.850 1.00 0.00 C ATOM 0 H THR A 86 -4.862 2.218 -11.541 1.00 0.00 H new ATOM 0 HA THR A 86 -2.407 1.291 -12.977 1.00 0.00 H new ATOM 0 HB THR A 86 -2.741 3.449 -14.223 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.036 4.213 -13.943 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.572 2.650 -15.670 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.501 1.299 -15.227 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.074 1.491 -14.416 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.911 2.982 -11.962 1.00 0.00 N ATOM 1265 CA TYR A 87 0.028 3.722 -11.137 1.00 0.00 C ATOM 1266 C TYR A 87 -0.625 4.977 -10.555 1.00 0.00 C ATOM 1267 O TYR A 87 -0.738 5.116 -9.338 1.00 0.00 O ATOM 1268 CB TYR A 87 1.169 4.139 -12.068 1.00 0.00 C ATOM 1269 CG TYR A 87 2.368 4.755 -11.344 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.237 5.968 -10.700 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.581 4.096 -11.336 1.00 0.00 C ATOM 1272 CE1 TYR A 87 3.366 6.548 -10.020 1.00 0.00 C ATOM 1273 CE2 TYR A 87 4.711 4.677 -10.655 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.547 5.873 -10.030 1.00 0.00 C ATOM 1275 OH TYR A 87 5.613 6.421 -9.387 1.00 0.00 O ATOM 0 H TYR A 87 -0.504 2.557 -12.795 1.00 0.00 H new ATOM 0 HA TYR A 87 0.372 3.110 -10.303 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.505 3.266 -12.628 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.788 4.857 -12.794 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.288 6.483 -10.706 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.683 3.146 -11.839 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.277 7.498 -9.513 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.666 4.173 -10.642 1.00 0.00 H new ATOM 0 HH TYR A 87 6.389 5.829 -9.476 1.00 0.00 H new ATOM 1285 N GLU A 88 -1.036 5.861 -11.451 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.674 7.101 -11.042 1.00 0.00 C ATOM 1287 C GLU A 88 -2.775 6.818 -10.019 1.00 0.00 C ATOM 1288 O GLU A 88 -2.665 7.212 -8.859 1.00 0.00 O ATOM 1289 CB GLU A 88 -2.230 7.857 -12.251 1.00 0.00 C ATOM 1290 CG GLU A 88 -1.259 8.948 -12.709 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.962 10.303 -12.801 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -2.883 10.410 -13.638 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -1.561 11.203 -12.032 1.00 0.00 O ATOM 0 H GLU A 88 -0.940 5.744 -12.460 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.923 7.736 -10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.411 7.160 -13.069 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.190 8.304 -11.995 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.425 9.014 -12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.842 8.684 -13.681 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.813 6.138 -10.485 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.932 5.799 -9.625 1.00 0.00 C ATOM 1302 C GLU A 89 -4.434 5.426 -8.227 1.00 0.00 C ATOM 1303 O GLU A 89 -4.603 6.192 -7.280 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.765 4.666 -10.231 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.602 5.170 -11.408 1.00 0.00 C ATOM 1306 CD GLU A 89 -7.744 4.203 -11.723 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -7.438 3.120 -12.266 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -8.898 4.568 -11.412 1.00 0.00 O ATOM 0 H GLU A 89 -3.901 5.813 -11.448 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.576 6.674 -9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.106 3.864 -10.565 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.420 4.244 -9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.008 6.154 -11.175 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.967 5.287 -12.286 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.831 4.250 -8.143 1.00 0.00 N ATOM 1316 CA VAL A 90 -3.307 3.766 -6.876 1.00 0.00 C ATOM 1317 C VAL A 90 -2.660 4.928 -6.120 1.00 0.00 C ATOM 1318 O VAL A 90 -3.097 5.282 -5.027 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.346 2.601 -7.118 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.585 2.244 -5.841 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -3.089 1.383 -7.673 1.00 0.00 C ATOM 0 H VAL A 90 -3.693 3.617 -8.931 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.113 3.380 -6.251 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.617 2.917 -7.864 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.909 1.413 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.010 3.107 -5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.293 1.957 -5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.383 0.569 -7.836 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.850 1.065 -6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.564 1.646 -8.618 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.628 5.489 -6.734 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.916 6.604 -6.132 1.00 0.00 C ATOM 1333 C GLN A 91 -1.900 7.556 -5.449 1.00 0.00 C ATOM 1334 O GLN A 91 -1.866 7.721 -4.232 1.00 0.00 O ATOM 1335 CB GLN A 91 -0.073 7.342 -7.174 1.00 0.00 C ATOM 1336 CG GLN A 91 1.294 7.725 -6.601 1.00 0.00 C ATOM 1337 CD GLN A 91 1.145 8.716 -5.445 1.00 0.00 C ATOM 1338 OE1 GLN A 91 1.130 9.923 -5.626 1.00 0.00 O ATOM 1339 NE2 GLN A 91 1.036 8.141 -4.250 1.00 0.00 N ATOM 0 H GLN A 91 -1.268 5.193 -7.641 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.237 6.211 -5.375 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.061 6.711 -8.052 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.598 8.239 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.810 6.830 -6.254 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.911 8.165 -7.385 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.056 7.124 -4.169 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.932 8.717 -3.415 1.00 0.00 H new ATOM 1348 N SER A 92 -2.753 8.158 -6.265 1.00 0.00 N ATOM 1349 CA SER A 92 -3.745 9.090 -5.755 1.00 0.00 C ATOM 1350 C SER A 92 -4.352 8.550 -4.458 1.00 0.00 C ATOM 1351 O SER A 92 -4.391 9.251 -3.448 1.00 0.00 O ATOM 1352 CB SER A 92 -4.844 9.347 -6.788 1.00 0.00 C ATOM 1353 OG SER A 92 -4.611 10.541 -7.529 1.00 0.00 O ATOM 0 H SER A 92 -2.778 8.019 -7.275 1.00 0.00 H new ATOM 0 HA SER A 92 -3.248 10.038 -5.550 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.903 8.501 -7.473 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.807 9.416 -6.283 1.00 0.00 H new ATOM 0 HG SER A 92 -5.333 10.669 -8.179 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.809 7.309 -4.528 1.00 0.00 N ATOM 1360 CA ILE A 93 -5.413 6.667 -3.373 1.00 0.00 C ATOM 1361 C ILE A 93 -4.445 6.744 -2.189 1.00 0.00 C ATOM 1362 O ILE A 93 -4.859 6.999 -1.060 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.850 5.242 -3.719 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -7.161 5.247 -4.505 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.939 4.376 -2.461 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -7.464 3.860 -5.075 1.00 0.00 C ATOM 0 H ILE A 93 -4.773 6.730 -5.367 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.322 7.191 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.091 4.798 -4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.977 5.563 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.100 5.972 -5.316 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.252 3.368 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.963 4.335 -1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.666 4.807 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.402 3.891 -5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.658 3.557 -5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.549 3.142 -4.259 1.00 0.00 H new ATOM 1378 N ILE A 94 -3.174 6.517 -2.491 1.00 0.00 N ATOM 1379 CA ILE A 94 -2.145 6.558 -1.465 1.00 0.00 C ATOM 1380 C ILE A 94 -1.828 8.014 -1.123 1.00 0.00 C ATOM 1381 O ILE A 94 -2.049 8.451 0.006 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.921 5.749 -1.903 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -1.316 4.650 -2.891 1.00 0.00 C ATOM 1384 CG2 ILE A 94 -0.171 5.191 -0.693 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -0.411 3.425 -2.739 1.00 0.00 C ATOM 0 H ILE A 94 -2.834 6.305 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.501 6.086 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.237 6.419 -2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.354 4.363 -2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.250 5.031 -3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.694 4.621 -1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.162 6.014 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.834 4.540 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.713 2.659 -3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.623 3.711 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.498 3.032 -1.726 1.00 0.00 H new ATOM 1397 N SER A 95 -1.317 8.725 -2.117 1.00 0.00 N ATOM 1398 CA SER A 95 -0.969 10.124 -1.934 1.00 0.00 C ATOM 1399 C SER A 95 -2.135 10.874 -1.287 1.00 0.00 C ATOM 1400 O SER A 95 -3.224 10.323 -1.136 1.00 0.00 O ATOM 1401 CB SER A 95 -0.593 10.776 -3.266 1.00 0.00 C ATOM 1402 OG SER A 95 0.558 11.609 -3.148 1.00 0.00 O ATOM 0 H SER A 95 -1.136 8.359 -3.052 1.00 0.00 H new ATOM 0 HA SER A 95 -0.102 10.177 -1.276 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.404 10.001 -4.008 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.433 11.368 -3.630 1.00 0.00 H new ATOM 0 HG SER A 95 1.177 11.417 -3.883 1.00 0.00 H new ATOM 1408 N GLN A 96 -1.866 12.119 -0.921 1.00 0.00 N ATOM 1409 CA GLN A 96 -2.880 12.950 -0.293 1.00 0.00 C ATOM 1410 C GLN A 96 -3.106 12.508 1.155 1.00 0.00 C ATOM 1411 O GLN A 96 -2.930 13.295 2.082 1.00 0.00 O ATOM 1412 CB GLN A 96 -4.186 12.915 -1.088 1.00 0.00 C ATOM 1413 CG GLN A 96 -4.557 14.309 -1.596 1.00 0.00 C ATOM 1414 CD GLN A 96 -5.617 14.229 -2.696 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -5.968 13.164 -3.178 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -6.105 15.410 -3.063 1.00 0.00 N ATOM 0 H GLN A 96 -0.961 12.572 -1.047 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.525 13.981 -0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.084 12.232 -1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.988 12.528 -0.460 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.931 14.913 -0.769 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.667 14.809 -1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.766 16.263 -2.617 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.818 15.463 -3.790 1.00 0.00 H new ATOM 1425 N GLN A 97 -3.492 11.248 1.302 1.00 0.00 N ATOM 1426 CA GLN A 97 -3.744 10.693 2.620 1.00 0.00 C ATOM 1427 C GLN A 97 -2.470 10.736 3.467 1.00 0.00 C ATOM 1428 O GLN A 97 -1.761 9.737 3.580 1.00 0.00 O ATOM 1429 CB GLN A 97 -4.287 9.266 2.519 1.00 0.00 C ATOM 1430 CG GLN A 97 -5.014 8.863 3.804 1.00 0.00 C ATOM 1431 CD GLN A 97 -6.510 9.166 3.705 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -7.091 9.207 2.633 1.00 0.00 O ATOM 1433 NE2 GLN A 97 -7.099 9.374 4.879 1.00 0.00 N ATOM 0 H GLN A 97 -3.636 10.597 0.530 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.503 11.302 3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.970 9.192 1.672 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.467 8.574 2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -4.866 7.799 3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.586 9.398 4.651 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.553 9.325 5.739 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.097 9.583 4.919 1.00 0.00 H new ATOM 1442 N SER A 98 -2.218 11.903 4.041 1.00 0.00 N ATOM 1443 CA SER A 98 -1.041 12.090 4.873 1.00 0.00 C ATOM 1444 C SER A 98 -1.285 11.496 6.263 1.00 0.00 C ATOM 1445 O SER A 98 -2.421 11.186 6.619 1.00 0.00 O ATOM 1446 CB SER A 98 -0.676 13.571 4.986 1.00 0.00 C ATOM 1447 OG SER A 98 -0.413 14.154 3.712 1.00 0.00 O ATOM 0 H SER A 98 -2.809 12.729 3.946 1.00 0.00 H new ATOM 0 HA SER A 98 -0.204 11.573 4.404 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.491 14.109 5.470 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.201 13.681 5.623 1.00 0.00 H new ATOM 0 HG SER A 98 -1.190 14.030 3.129 1.00 0.00 H new ATOM 1453 N GLY A 99 -0.200 11.356 7.009 1.00 0.00 N ATOM 1454 CA GLY A 99 -0.282 10.806 8.352 1.00 0.00 C ATOM 1455 C GLY A 99 -0.400 9.281 8.312 1.00 0.00 C ATOM 1456 O GLY A 99 -0.201 8.666 7.266 1.00 0.00 O ATOM 0 H GLY A 99 0.741 11.614 6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.603 11.091 8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.143 11.228 8.870 1.00 0.00 H new ATOM 1460 N GLU A 100 -0.725 8.715 9.466 1.00 0.00 N ATOM 1461 CA GLU A 100 -0.874 7.274 9.576 1.00 0.00 C ATOM 1462 C GLU A 100 -1.826 6.754 8.498 1.00 0.00 C ATOM 1463 O GLU A 100 -2.479 7.538 7.811 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.358 6.878 10.973 1.00 0.00 C ATOM 1465 CG GLU A 100 -2.665 7.591 11.322 1.00 0.00 C ATOM 1466 CD GLU A 100 -3.728 6.591 11.784 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -3.775 5.496 11.185 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -4.468 6.945 12.727 1.00 0.00 O ATOM 0 H GLU A 100 -0.889 9.228 10.332 1.00 0.00 H new ATOM 0 HA GLU A 100 0.102 6.815 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.505 5.799 11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.595 7.128 11.710 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.485 8.325 12.108 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.029 8.138 10.452 1.00 0.00 H new ATOM 1475 N ALA A 101 -1.877 5.435 8.383 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.739 4.801 7.401 1.00 0.00 C ATOM 1477 C ALA A 101 -2.626 3.281 7.533 1.00 0.00 C ATOM 1478 O ALA A 101 -1.627 2.772 8.041 1.00 0.00 O ATOM 1479 CB ALA A 101 -2.366 5.294 6.001 1.00 0.00 C ATOM 0 H ALA A 101 -1.334 4.788 8.955 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.781 5.070 7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.013 4.818 5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.492 6.376 5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.327 5.040 5.790 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.663 2.600 7.068 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.692 1.149 7.129 1.00 0.00 C ATOM 1487 C GLU A 102 -3.195 0.552 5.810 1.00 0.00 C ATOM 1488 O GLU A 102 -3.348 1.161 4.752 1.00 0.00 O ATOM 1489 CB GLU A 102 -5.095 0.642 7.466 1.00 0.00 C ATOM 1490 CG GLU A 102 -5.073 -0.252 8.708 1.00 0.00 C ATOM 1491 CD GLU A 102 -6.422 -0.224 9.427 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -7.280 -1.055 9.056 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -6.567 0.626 10.331 1.00 0.00 O ATOM 0 H GLU A 102 -4.489 3.026 6.648 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.023 0.825 7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.760 1.489 7.635 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.497 0.085 6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.832 -1.275 8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.288 0.082 9.387 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.610 -0.633 5.916 1.00 0.00 N ATOM 1501 CA ILE A 103 -2.091 -1.317 4.745 1.00 0.00 C ATOM 1502 C ILE A 103 -2.412 -2.810 4.848 1.00 0.00 C ATOM 1503 O ILE A 103 -2.512 -3.352 5.948 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.601 -1.020 4.567 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.008 -1.900 3.474 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.148 -1.155 5.894 1.00 0.00 C ATOM 1507 CD1 ILE A 103 -0.527 -1.510 2.095 1.00 0.00 C ATOM 0 H ILE A 103 -2.485 -1.136 6.795 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.576 -0.947 3.842 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.497 0.015 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.094 -1.804 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.222 -2.946 3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.205 -0.939 5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.264 -0.452 6.618 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.038 -2.171 6.272 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.078 -2.151 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.610 -1.631 2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.274 -0.470 1.887 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.564 -3.431 3.689 1.00 0.00 N ATOM 1520 CA CYS A 104 -2.872 -4.850 3.635 1.00 0.00 C ATOM 1521 C CYS A 104 -1.974 -5.497 2.578 1.00 0.00 C ATOM 1522 O CYS A 104 -2.228 -5.370 1.381 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.355 -5.098 3.353 1.00 0.00 C ATOM 1524 SG CYS A 104 -5.384 -4.092 4.484 1.00 0.00 S ATOM 0 H CYS A 104 -2.480 -2.978 2.779 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.674 -5.304 4.606 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.584 -4.845 2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.586 -6.155 3.481 1.00 0.00 H new ATOM 0 HG CYS A 104 -6.641 -4.308 4.235 1.00 0.00 H new ATOM 1530 N VAL A 105 -0.943 -6.177 3.058 1.00 0.00 N ATOM 1531 CA VAL A 105 -0.006 -6.843 2.169 1.00 0.00 C ATOM 1532 C VAL A 105 0.016 -8.340 2.488 1.00 0.00 C ATOM 1533 O VAL A 105 -0.226 -8.739 3.626 1.00 0.00 O ATOM 1534 CB VAL A 105 1.373 -6.189 2.275 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.334 -4.745 1.770 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.900 -6.253 3.710 1.00 0.00 C ATOM 0 H VAL A 105 -0.736 -6.281 4.051 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.322 -6.735 1.131 1.00 0.00 H new ATOM 0 HB VAL A 105 2.060 -6.748 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.326 -4.303 1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.021 -4.733 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.627 -4.169 2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.882 -5.781 3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.212 -5.729 4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.982 -7.294 4.021 1.00 0.00 H new ATOM 1546 N ARG A 106 0.309 -9.126 1.463 1.00 0.00 N ATOM 1547 CA ARG A 106 0.367 -10.570 1.621 1.00 0.00 C ATOM 1548 C ARG A 106 1.733 -10.990 2.164 1.00 0.00 C ATOM 1549 O ARG A 106 2.767 -10.553 1.661 1.00 0.00 O ATOM 1550 CB ARG A 106 0.116 -11.279 0.288 1.00 0.00 C ATOM 1551 CG ARG A 106 0.112 -12.798 0.468 1.00 0.00 C ATOM 1552 CD ARG A 106 0.002 -13.510 -0.882 1.00 0.00 C ATOM 1553 NE ARG A 106 -1.412 -13.551 -1.318 1.00 0.00 N ATOM 1554 CZ ARG A 106 -1.801 -13.686 -2.594 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -0.886 -13.792 -3.566 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -3.107 -13.714 -2.895 1.00 0.00 N ATOM 0 H ARG A 106 0.509 -8.791 0.520 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.412 -10.858 2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.839 -10.956 -0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.886 -10.996 -0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.025 -13.110 0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.722 -13.090 1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.606 -12.991 -1.626 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.396 -14.523 -0.802 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.135 -13.472 -0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.107 -13.770 -3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.183 -13.895 -4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.803 -13.633 -2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.405 -13.817 -3.865 1.00 0.00 H new ATOM 1570 N LEU A 107 1.694 -11.835 3.183 1.00 0.00 N ATOM 1571 CA LEU A 107 2.917 -12.320 3.801 1.00 0.00 C ATOM 1572 C LEU A 107 3.735 -13.093 2.765 1.00 0.00 C ATOM 1573 O LEU A 107 4.879 -12.740 2.484 1.00 0.00 O ATOM 1574 CB LEU A 107 2.597 -13.129 5.060 1.00 0.00 C ATOM 1575 CG LEU A 107 2.279 -12.317 6.317 1.00 0.00 C ATOM 1576 CD1 LEU A 107 1.609 -13.192 7.379 1.00 0.00 C ATOM 1577 CD2 LEU A 107 3.532 -11.623 6.852 1.00 0.00 C ATOM 0 H LEU A 107 0.835 -12.197 3.597 1.00 0.00 H new ATOM 0 HA LEU A 107 3.532 -11.484 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.747 -13.777 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.446 -13.778 5.276 1.00 0.00 H new ATOM 0 HG LEU A 107 1.568 -11.535 6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.393 -12.591 8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.679 -13.599 6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.276 -14.010 7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.279 -11.053 7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.284 -12.371 7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.928 -10.949 6.092 1.00 0.00 H new ATOM 1589 N ASP A 108 3.117 -14.132 2.224 1.00 0.00 N ATOM 1590 CA ASP A 108 3.773 -14.957 1.225 1.00 0.00 C ATOM 1591 C ASP A 108 3.669 -14.276 -0.141 1.00 0.00 C ATOM 1592 O ASP A 108 2.733 -13.519 -0.391 1.00 0.00 O ATOM 1593 CB ASP A 108 3.107 -16.330 1.120 1.00 0.00 C ATOM 1594 CG ASP A 108 3.791 -17.444 1.917 1.00 0.00 C ATOM 1595 OD1 ASP A 108 4.458 -17.099 2.916 1.00 0.00 O ATOM 1596 OD2 ASP A 108 3.631 -18.614 1.508 1.00 0.00 O ATOM 0 H ASP A 108 2.168 -14.422 2.459 1.00 0.00 H new ATOM 0 HA ASP A 108 4.814 -15.083 1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.075 -16.243 1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 108 3.075 -16.622 0.070 1.00 0.00 H new ATOM 1601 N LEU A 109 4.644 -14.569 -0.989 1.00 0.00 N ATOM 1602 CA LEU A 109 4.674 -13.994 -2.322 1.00 0.00 C ATOM 1603 C LEU A 109 5.396 -12.646 -2.277 1.00 0.00 C ATOM 1604 O LEU A 109 5.185 -11.857 -1.357 1.00 0.00 O ATOM 1605 CB LEU A 109 3.261 -13.916 -2.904 1.00 0.00 C ATOM 1606 CG LEU A 109 3.138 -14.184 -4.405 1.00 0.00 C ATOM 1607 CD1 LEU A 109 2.253 -15.404 -4.673 1.00 0.00 C ATOM 1608 CD2 LEU A 109 2.639 -12.941 -5.146 1.00 0.00 C ATOM 0 H LEU A 109 5.419 -15.197 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 109 5.238 -14.635 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.632 -14.631 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.859 -12.924 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 109 4.130 -14.413 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.182 -15.573 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.689 -16.282 -4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.257 -15.227 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.561 -13.159 -6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.660 -12.656 -4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.341 -12.121 -4.994 1.00 0.00 H new ATOM 1620 N ASN A 110 6.232 -12.423 -3.280 1.00 0.00 N ATOM 1621 CA ASN A 110 6.986 -11.184 -3.365 1.00 0.00 C ATOM 1622 C ASN A 110 7.165 -10.802 -4.836 1.00 0.00 C ATOM 1623 O ASN A 110 7.282 -11.672 -5.698 1.00 0.00 O ATOM 1624 CB ASN A 110 8.376 -11.341 -2.746 1.00 0.00 C ATOM 1625 CG ASN A 110 8.444 -10.666 -1.374 1.00 0.00 C ATOM 1626 OD1 ASN A 110 9.650 -10.200 -1.061 1.00 0.00 O flip ATOM 1627 ND2 ASN A 110 7.467 -10.572 -0.650 1.00 0.00 N flip ATOM 0 H ASN A 110 6.404 -13.080 -4.041 1.00 0.00 H new ATOM 0 HA ASN A 110 6.435 -10.416 -2.823 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.617 -12.399 -2.647 1.00 0.00 H new ATOM 0 HB3 ASN A 110 9.124 -10.905 -3.408 1.00 0.00 H new ATOM 0 HD21 ASN A 110 6.570 -10.952 -0.952 1.00 0.00 H new ATOM 0 HD22 ASN A 110 7.547 -10.113 0.258 1.00 0.00 H new ATOM 1634 N MET A 111 7.180 -9.499 -5.077 1.00 0.00 N ATOM 1635 CA MET A 111 7.343 -8.990 -6.429 1.00 0.00 C ATOM 1636 C MET A 111 8.791 -8.570 -6.686 1.00 0.00 C ATOM 1637 O MET A 111 9.196 -7.468 -6.318 1.00 0.00 O ATOM 1638 CB MET A 111 6.418 -7.789 -6.637 1.00 0.00 C ATOM 1639 CG MET A 111 4.979 -8.243 -6.888 1.00 0.00 C ATOM 1640 SD MET A 111 4.269 -7.304 -8.231 1.00 0.00 S ATOM 1641 CE MET A 111 2.565 -7.247 -7.701 1.00 0.00 C ATOM 0 H MET A 111 7.082 -8.781 -4.360 1.00 0.00 H new ATOM 0 HA MET A 111 7.085 -9.784 -7.130 1.00 0.00 H new ATOM 0 HB2 MET A 111 6.452 -7.143 -5.760 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.769 -7.197 -7.482 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.961 -9.306 -7.127 1.00 0.00 H new ATOM 0 HG3 MET A 111 4.384 -8.109 -5.985 1.00 0.00 H new ATOM 0 HE1 MET A 111 1.993 -6.619 -8.383 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.150 -8.255 -7.701 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.511 -6.832 -6.694 1.00 0.00 H new