USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 463 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 THR OG1 : rot 13:sc= 0.703 USER MOD Set 1.2: A 70 ASN : amide:sc= 1.13 X(o=3,f=2.5) USER MOD Set 1.3: A 74 CYS SG : rot 116:sc= 1.13 USER MOD Set 2.1: A 23 LYS NZ :NH3+ -113:sc= 0.093 (180deg=-0.169) USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0.629 USER MOD Set 2.3: A 66 TYR OH : rot -71:sc= 0.707 USER MOD Set 3.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 68 GLN : amide:sc= -3.25 K(o=-3.3,f=-6.9!) USER MOD Set 4.1: A 27 CYS SG : rot -161:sc= -1.07! USER MOD Set 4.2: A 38 HIS : no HD1:sc= -0.569 K(o=-2.1,f=-9.5!) USER MOD Set 4.3: A 51 CYS SG : rot -117:sc= 0.0206 USER MOD Set 4.4: A 54 CYS SG : rot 68:sc= -0.437! USER MOD Single : A 8 HIS : no HE2:sc= -0.855 K(o=-0.85,f=-1.7) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 153:sc= 0.779 (180deg=0.396) USER MOD Single : A 26 MET CE :methyl -156:sc= 0 (180deg=-0.459) USER MOD Single : A 43 MET CE :methyl -111:sc= -0.536 (180deg=-2.73!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.168 USER MOD Single : A 49 LYS NZ :NH3+ 167:sc=-0.00989 (180deg=-0.14) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -19:sc= -0.89 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 6 -3.327 -7.500 -1.230 1.00 0.00 N ATOM 78 CA ILE A 6 -2.778 -6.641 -0.193 1.00 0.00 C ATOM 79 C ILE A 6 -3.592 -5.353 -0.095 1.00 0.00 C ATOM 80 O ILE A 6 -3.907 -4.741 -1.114 1.00 0.00 O ATOM 81 CB ILE A 6 -1.302 -6.292 -0.500 1.00 0.00 C ATOM 82 CG1 ILE A 6 -0.469 -7.569 -0.666 1.00 0.00 C ATOM 83 CG2 ILE A 6 -0.710 -5.411 0.592 1.00 0.00 C ATOM 84 CD1 ILE A 6 -0.457 -8.461 0.557 1.00 0.00 C ATOM 0 HA ILE A 6 -2.826 -7.176 0.755 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.277 -5.735 -1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.857 -8.136 -1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.556 -7.292 -0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.328 -5.181 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.280 -4.485 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.753 -5.936 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.153 -9.342 0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.040 -7.914 1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.475 -8.770 0.792 1.00 0.00 H new ATOM 96 N PRO A 7 -3.960 -4.949 1.135 1.00 0.00 N ATOM 97 CA PRO A 7 -4.736 -3.730 1.389 1.00 0.00 C ATOM 98 C PRO A 7 -4.215 -2.525 0.610 1.00 0.00 C ATOM 99 O PRO A 7 -3.039 -2.167 0.699 1.00 0.00 O ATOM 100 CB PRO A 7 -4.581 -3.499 2.904 1.00 0.00 C ATOM 101 CG PRO A 7 -3.605 -4.528 3.381 1.00 0.00 C ATOM 102 CD PRO A 7 -3.653 -5.649 2.384 1.00 0.00 C ATOM 0 HA PRO A 7 -5.771 -3.846 1.069 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.218 -2.492 3.110 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.538 -3.603 3.414 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.601 -4.110 3.448 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.869 -4.882 4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.704 -6.183 2.327 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.418 -6.384 2.636 1.00 0.00 H new ATOM 110 N HIS A 8 -5.093 -1.914 -0.170 1.00 0.00 N ATOM 111 CA HIS A 8 -4.728 -0.764 -0.979 1.00 0.00 C ATOM 112 C HIS A 8 -5.460 0.485 -0.510 1.00 0.00 C ATOM 113 O HIS A 8 -6.682 0.485 -0.365 1.00 0.00 O ATOM 114 CB HIS A 8 -5.022 -1.022 -2.459 1.00 0.00 C ATOM 115 CG HIS A 8 -3.970 -1.830 -3.156 1.00 0.00 C ATOM 116 ND1 HIS A 8 -4.084 -3.185 -3.395 1.00 0.00 N ATOM 117 CD2 HIS A 8 -2.778 -1.460 -3.682 1.00 0.00 C ATOM 118 CE1 HIS A 8 -3.011 -3.609 -4.038 1.00 0.00 C ATOM 119 NE2 HIS A 8 -2.204 -2.582 -4.224 1.00 0.00 N ATOM 0 H HIS A 8 -6.069 -2.198 -0.259 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.657 -0.602 -0.861 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.978 -1.538 -2.545 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.129 -0.065 -2.970 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -4.874 -3.768 -3.118 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.357 -0.465 -3.676 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.826 -4.624 -4.357 1.00 0.00 H new ATOM 128 N PHE A 9 -4.698 1.536 -0.265 1.00 0.00 N ATOM 129 CA PHE A 9 -5.251 2.814 0.155 1.00 0.00 C ATOM 130 C PHE A 9 -5.276 3.776 -1.026 1.00 0.00 C ATOM 131 O PHE A 9 -4.947 3.389 -2.147 1.00 0.00 O ATOM 132 CB PHE A 9 -4.423 3.393 1.311 1.00 0.00 C ATOM 133 CG PHE A 9 -2.953 3.517 1.016 1.00 0.00 C ATOM 134 CD1 PHE A 9 -2.086 2.472 1.300 1.00 0.00 C ATOM 135 CD2 PHE A 9 -2.438 4.676 0.459 1.00 0.00 C ATOM 136 CE1 PHE A 9 -0.737 2.582 1.034 1.00 0.00 C ATOM 137 CE2 PHE A 9 -1.088 4.791 0.190 1.00 0.00 C ATOM 138 CZ PHE A 9 -0.236 3.742 0.478 1.00 0.00 C ATOM 0 H PHE A 9 -3.682 1.529 -0.351 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.272 2.667 0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.815 4.378 1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.554 2.760 2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.472 1.562 1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.099 5.499 0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.073 1.761 1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.699 5.700 -0.245 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.820 3.829 0.269 1.00 0.00 H new ATOM 148 N GLN A 10 -5.665 5.019 -0.788 1.00 0.00 N ATOM 149 CA GLN A 10 -5.718 6.009 -1.856 1.00 0.00 C ATOM 150 C GLN A 10 -4.976 7.279 -1.465 1.00 0.00 C ATOM 151 O GLN A 10 -5.371 7.978 -0.542 1.00 0.00 O ATOM 152 CB GLN A 10 -7.170 6.348 -2.213 1.00 0.00 C ATOM 153 CG GLN A 10 -7.993 6.875 -1.042 1.00 0.00 C ATOM 154 CD GLN A 10 -9.293 7.510 -1.491 1.00 0.00 C ATOM 155 OE1 GLN A 10 -10.318 6.842 -1.596 1.00 0.00 O ATOM 156 NE2 GLN A 10 -9.257 8.805 -1.763 1.00 0.00 N ATOM 0 H GLN A 10 -5.947 5.366 0.129 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.230 5.575 -2.729 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.173 7.093 -3.009 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.653 5.455 -2.610 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.209 6.056 -0.356 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.406 7.608 -0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.384 9.323 -1.663 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.102 9.285 -2.073 1.00 0.00 H new ATOM 210 N GLY A 14 -0.256 13.329 -3.828 1.00 0.00 N ATOM 211 CA GLY A 14 1.145 13.317 -4.217 1.00 0.00 C ATOM 212 C GLY A 14 1.951 12.332 -3.395 1.00 0.00 C ATOM 213 O GLY A 14 1.730 12.192 -2.189 1.00 0.00 O ATOM 0 HA2 GLY A 14 1.226 13.061 -5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.563 14.317 -4.099 1.00 0.00 H new ATOM 217 N TYR A 15 2.883 11.643 -4.033 1.00 0.00 N ATOM 218 CA TYR A 15 3.656 10.613 -3.354 1.00 0.00 C ATOM 219 C TYR A 15 5.048 11.125 -3.014 1.00 0.00 C ATOM 220 O TYR A 15 5.722 11.712 -3.859 1.00 0.00 O ATOM 221 CB TYR A 15 3.792 9.367 -4.229 1.00 0.00 C ATOM 222 CG TYR A 15 2.523 8.971 -4.956 1.00 0.00 C ATOM 223 CD1 TYR A 15 1.502 8.289 -4.305 1.00 0.00 C ATOM 224 CD2 TYR A 15 2.351 9.281 -6.299 1.00 0.00 C ATOM 225 CE1 TYR A 15 0.346 7.932 -4.974 1.00 0.00 C ATOM 226 CE2 TYR A 15 1.199 8.926 -6.974 1.00 0.00 C ATOM 227 CZ TYR A 15 0.200 8.252 -6.308 1.00 0.00 C ATOM 228 OH TYR A 15 -0.953 7.903 -6.978 1.00 0.00 O ATOM 0 H TYR A 15 3.123 11.776 -5.015 1.00 0.00 H new ATOM 0 HA TYR A 15 3.125 10.356 -2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.579 9.538 -4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.114 8.533 -3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.613 8.034 -3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 15 3.132 9.809 -6.825 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.440 7.404 -4.454 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.083 9.176 -8.018 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.894 8.204 -7.909 1.00 0.00 H new ATOM 238 N LYS A 16 5.467 10.910 -1.775 1.00 0.00 N ATOM 239 CA LYS A 16 6.823 11.250 -1.358 1.00 0.00 C ATOM 240 C LYS A 16 7.200 10.484 -0.099 1.00 0.00 C ATOM 241 O LYS A 16 8.226 9.806 -0.047 1.00 0.00 O ATOM 242 CB LYS A 16 7.005 12.772 -1.156 1.00 0.00 C ATOM 243 CG LYS A 16 6.025 13.432 -0.184 1.00 0.00 C ATOM 244 CD LYS A 16 4.651 13.641 -0.808 1.00 0.00 C ATOM 245 CE LYS A 16 3.695 14.340 0.146 1.00 0.00 C ATOM 246 NZ LYS A 16 2.340 14.493 -0.444 1.00 0.00 N ATOM 0 H LYS A 16 4.889 10.502 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 16 7.497 10.954 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.019 12.954 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.913 13.262 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.927 12.813 0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.426 14.393 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.752 14.232 -1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.234 12.677 -1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.626 13.771 1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.092 15.322 0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.632 14.531 0.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.300 15.372 -0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.138 13.683 -1.064 1.00 0.00 H new ATOM 260 N ILE A 17 6.353 10.577 0.907 1.00 0.00 N ATOM 261 CA ILE A 17 6.535 9.837 2.142 1.00 0.00 C ATOM 262 C ILE A 17 5.176 9.381 2.622 1.00 0.00 C ATOM 263 O ILE A 17 4.344 10.203 3.011 1.00 0.00 O ATOM 264 CB ILE A 17 7.204 10.691 3.249 1.00 0.00 C ATOM 265 CG1 ILE A 17 8.562 11.232 2.783 1.00 0.00 C ATOM 266 CG2 ILE A 17 7.368 9.871 4.523 1.00 0.00 C ATOM 267 CD1 ILE A 17 9.221 12.166 3.776 1.00 0.00 C ATOM 0 H ILE A 17 5.521 11.166 0.892 1.00 0.00 H new ATOM 0 HA ILE A 17 7.194 8.993 1.941 1.00 0.00 H new ATOM 0 HB ILE A 17 6.556 11.542 3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.230 10.393 2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.428 11.758 1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.839 10.483 5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.390 9.541 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.993 9.002 4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.176 12.507 3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.574 13.025 3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.388 11.639 4.715 1.00 0.00 H new ATOM 279 N ILE A 18 4.923 8.088 2.565 1.00 0.00 N ATOM 280 CA ILE A 18 3.610 7.589 2.977 1.00 0.00 C ATOM 281 C ILE A 18 3.713 6.542 4.085 1.00 0.00 C ATOM 282 O ILE A 18 4.443 5.566 3.973 1.00 0.00 O ATOM 283 CB ILE A 18 2.818 7.022 1.778 1.00 0.00 C ATOM 284 CG1 ILE A 18 2.660 8.102 0.691 1.00 0.00 C ATOM 285 CG2 ILE A 18 1.451 6.515 2.232 1.00 0.00 C ATOM 286 CD1 ILE A 18 1.805 7.665 -0.483 1.00 0.00 C ATOM 0 H ILE A 18 5.582 7.376 2.249 1.00 0.00 H new ATOM 0 HA ILE A 18 3.067 8.445 3.377 1.00 0.00 H new ATOM 0 HB ILE A 18 3.372 6.182 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.219 8.993 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.647 8.384 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.907 6.119 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.583 5.727 2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.886 7.337 2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.739 8.477 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.255 6.792 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.805 7.411 -0.131 1.00 0.00 H new ATOM 298 N GLU A 19 2.970 6.762 5.156 1.00 0.00 N ATOM 299 CA GLU A 19 2.989 5.869 6.306 1.00 0.00 C ATOM 300 C GLU A 19 1.912 4.793 6.174 1.00 0.00 C ATOM 301 O GLU A 19 0.904 4.996 5.492 1.00 0.00 O ATOM 302 CB GLU A 19 2.771 6.676 7.587 1.00 0.00 C ATOM 303 CG GLU A 19 3.804 7.774 7.795 1.00 0.00 C ATOM 304 CD GLU A 19 3.476 8.680 8.965 1.00 0.00 C ATOM 305 OE1 GLU A 19 3.825 8.331 10.112 1.00 0.00 O ATOM 306 OE2 GLU A 19 2.875 9.751 8.740 1.00 0.00 O ATOM 0 H GLU A 19 2.340 7.558 5.255 1.00 0.00 H new ATOM 0 HA GLU A 19 3.960 5.376 6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.777 7.123 7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.794 6.000 8.442 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.782 7.320 7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.877 8.373 6.888 1.00 0.00 H new ATOM 313 N ILE A 20 2.135 3.655 6.821 1.00 0.00 N ATOM 314 CA ILE A 20 1.177 2.551 6.831 1.00 0.00 C ATOM 315 C ILE A 20 1.237 1.814 8.166 1.00 0.00 C ATOM 316 O ILE A 20 2.197 1.964 8.921 1.00 0.00 O ATOM 317 CB ILE A 20 1.432 1.537 5.691 1.00 0.00 C ATOM 318 CG1 ILE A 20 2.905 1.127 5.650 1.00 0.00 C ATOM 319 CG2 ILE A 20 0.987 2.098 4.347 1.00 0.00 C ATOM 320 CD1 ILE A 20 3.216 0.104 4.582 1.00 0.00 C ATOM 0 H ILE A 20 2.985 3.470 7.354 1.00 0.00 H new ATOM 0 HA ILE A 20 0.191 2.991 6.681 1.00 0.00 H new ATOM 0 HB ILE A 20 0.836 0.647 5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.516 2.014 5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.189 0.724 6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.178 1.363 3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.079 2.322 4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.543 3.011 4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.278 -0.140 4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.631 -0.798 4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.964 0.512 3.603 1.00 0.00 H new ATOM 332 N GLY A 21 0.214 1.020 8.455 1.00 0.00 N ATOM 333 CA GLY A 21 0.185 0.275 9.700 1.00 0.00 C ATOM 334 C GLY A 21 0.431 -1.206 9.493 1.00 0.00 C ATOM 335 O GLY A 21 0.149 -2.021 10.370 1.00 0.00 O ATOM 0 H GLY A 21 -0.595 0.878 7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.940 0.675 10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.782 0.416 10.182 1.00 0.00 H new ATOM 339 N VAL A 22 0.965 -1.558 8.331 1.00 0.00 N ATOM 340 CA VAL A 22 1.219 -2.952 7.988 1.00 0.00 C ATOM 341 C VAL A 22 2.645 -3.131 7.477 1.00 0.00 C ATOM 342 O VAL A 22 3.326 -2.152 7.177 1.00 0.00 O ATOM 343 CB VAL A 22 0.229 -3.468 6.920 1.00 0.00 C ATOM 344 CG1 VAL A 22 -1.175 -3.588 7.494 1.00 0.00 C ATOM 345 CG2 VAL A 22 0.226 -2.550 5.705 1.00 0.00 C ATOM 0 H VAL A 22 1.232 -0.893 7.605 1.00 0.00 H new ATOM 0 HA VAL A 22 1.081 -3.534 8.899 1.00 0.00 H new ATOM 0 HB VAL A 22 0.557 -4.459 6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.853 -3.953 6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.167 -4.286 8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.511 -2.611 7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.477 -2.930 4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.073 -1.546 6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.226 -2.516 5.272 1.00 0.00 H new ATOM 355 N LYS A 23 3.091 -4.379 7.377 1.00 0.00 N ATOM 356 CA LYS A 23 4.439 -4.673 6.896 1.00 0.00 C ATOM 357 C LYS A 23 4.392 -5.242 5.485 1.00 0.00 C ATOM 358 O LYS A 23 5.414 -5.634 4.920 1.00 0.00 O ATOM 359 CB LYS A 23 5.153 -5.659 7.824 1.00 0.00 C ATOM 360 CG LYS A 23 5.337 -5.154 9.245 1.00 0.00 C ATOM 361 CD LYS A 23 6.284 -6.051 10.027 1.00 0.00 C ATOM 362 CE LYS A 23 6.397 -5.623 11.482 1.00 0.00 C ATOM 363 NZ LYS A 23 5.123 -5.839 12.222 1.00 0.00 N ATOM 0 H LYS A 23 2.541 -5.202 7.622 1.00 0.00 H new ATOM 0 HA LYS A 23 4.997 -3.737 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.587 -6.590 7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.131 -5.893 7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.728 -4.137 9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.371 -5.114 9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.932 -7.081 9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.271 -6.029 9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.197 -6.184 11.965 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.672 -4.569 11.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.717 -4.920 12.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.451 -6.351 11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.310 -6.398 13.079 1.00 0.00 H new ATOM 377 N GLU A 24 3.197 -5.288 4.926 1.00 0.00 N ATOM 378 CA GLU A 24 2.996 -5.794 3.581 1.00 0.00 C ATOM 379 C GLU A 24 2.227 -4.767 2.764 1.00 0.00 C ATOM 380 O GLU A 24 1.184 -4.279 3.194 1.00 0.00 O ATOM 381 CB GLU A 24 2.250 -7.132 3.633 1.00 0.00 C ATOM 382 CG GLU A 24 0.908 -7.056 4.343 1.00 0.00 C ATOM 383 CD GLU A 24 0.424 -8.405 4.816 1.00 0.00 C ATOM 384 OE1 GLU A 24 0.009 -9.229 3.979 1.00 0.00 O ATOM 385 OE2 GLU A 24 0.473 -8.656 6.039 1.00 0.00 O ATOM 0 H GLU A 24 2.343 -4.977 5.389 1.00 0.00 H new ATOM 0 HA GLU A 24 3.960 -5.965 3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.093 -7.490 2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.877 -7.868 4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.991 -6.384 5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.168 -6.625 3.669 1.00 0.00 H new ATOM 392 N PHE A 25 2.755 -4.413 1.602 1.00 0.00 N ATOM 393 CA PHE A 25 2.145 -3.370 0.793 1.00 0.00 C ATOM 394 C PHE A 25 2.529 -3.499 -0.673 1.00 0.00 C ATOM 395 O PHE A 25 3.445 -4.241 -1.031 1.00 0.00 O ATOM 396 CB PHE A 25 2.553 -1.986 1.319 1.00 0.00 C ATOM 397 CG PHE A 25 4.042 -1.782 1.404 1.00 0.00 C ATOM 398 CD1 PHE A 25 4.742 -2.146 2.544 1.00 0.00 C ATOM 399 CD2 PHE A 25 4.740 -1.228 0.344 1.00 0.00 C ATOM 400 CE1 PHE A 25 6.108 -1.961 2.624 1.00 0.00 C ATOM 401 CE2 PHE A 25 6.106 -1.041 0.420 1.00 0.00 C ATOM 402 CZ PHE A 25 6.791 -1.407 1.562 1.00 0.00 C ATOM 0 H PHE A 25 3.596 -4.828 1.201 1.00 0.00 H new ATOM 0 HA PHE A 25 1.064 -3.484 0.868 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.128 -1.221 0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.119 -1.841 2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.212 -2.579 3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.210 -0.939 -0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.641 -2.250 3.518 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.639 -0.608 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.859 -1.260 1.623 1.00 0.00 H new ATOM 412 N MET A 26 1.808 -2.780 -1.513 1.00 0.00 N ATOM 413 CA MET A 26 2.136 -2.680 -2.921 1.00 0.00 C ATOM 414 C MET A 26 1.819 -1.270 -3.390 1.00 0.00 C ATOM 415 O MET A 26 0.868 -0.659 -2.901 1.00 0.00 O ATOM 416 CB MET A 26 1.363 -3.711 -3.747 1.00 0.00 C ATOM 417 CG MET A 26 1.905 -3.869 -5.160 1.00 0.00 C ATOM 418 SD MET A 26 1.109 -5.201 -6.078 1.00 0.00 S ATOM 419 CE MET A 26 2.215 -5.328 -7.487 1.00 0.00 C ATOM 0 H MET A 26 0.981 -2.250 -1.238 1.00 0.00 H new ATOM 0 HA MET A 26 3.197 -2.889 -3.060 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.399 -4.675 -3.240 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.315 -3.416 -3.797 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.771 -2.932 -5.701 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.977 -4.059 -5.112 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.681 -5.766 -8.330 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.572 -4.335 -7.760 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.064 -5.960 -7.227 1.00 0.00 H new ATOM 429 N CYS A 27 2.617 -0.768 -4.322 1.00 0.00 N ATOM 430 CA CYS A 27 2.521 0.618 -4.770 1.00 0.00 C ATOM 431 C CYS A 27 1.105 1.022 -5.156 1.00 0.00 C ATOM 432 O CYS A 27 0.508 0.449 -6.070 1.00 0.00 O ATOM 433 CB CYS A 27 3.434 0.845 -5.971 1.00 0.00 C ATOM 434 SG CYS A 27 5.187 0.564 -5.640 1.00 0.00 S ATOM 0 H CYS A 27 3.347 -1.306 -4.789 1.00 0.00 H new ATOM 0 HA CYS A 27 2.827 1.234 -3.925 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.120 0.186 -6.781 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.303 1.868 -6.323 1.00 0.00 H new ATOM 0 HG CYS A 27 5.901 1.145 -6.558 1.00 0.00 H new ATOM 439 N VAL A 28 0.571 2.004 -4.445 1.00 0.00 N ATOM 440 CA VAL A 28 -0.644 2.670 -4.874 1.00 0.00 C ATOM 441 C VAL A 28 -0.265 3.779 -5.844 1.00 0.00 C ATOM 442 O VAL A 28 -0.097 4.937 -5.463 1.00 0.00 O ATOM 443 CB VAL A 28 -1.454 3.246 -3.690 1.00 0.00 C ATOM 444 CG1 VAL A 28 -2.687 3.988 -4.189 1.00 0.00 C ATOM 445 CG2 VAL A 28 -1.857 2.136 -2.730 1.00 0.00 C ATOM 0 H VAL A 28 0.961 2.355 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.287 1.936 -5.359 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.820 3.954 -3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.242 4.385 -3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.380 4.809 -4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.323 3.302 -4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.426 2.559 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.471 1.405 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.963 1.648 -2.343 1.00 0.00 H new ATOM 581 N HIS A 38 3.680 -1.461 -10.165 1.00 0.00 N ATOM 582 CA HIS A 38 5.060 -1.593 -9.700 1.00 0.00 C ATOM 583 C HIS A 38 5.333 -3.005 -9.192 1.00 0.00 C ATOM 584 O HIS A 38 5.326 -3.963 -9.962 1.00 0.00 O ATOM 585 CB HIS A 38 5.401 -0.575 -8.605 1.00 0.00 C ATOM 586 CG HIS A 38 5.464 0.845 -9.070 1.00 0.00 C ATOM 587 ND1 HIS A 38 6.068 1.861 -8.332 1.00 0.00 N ATOM 588 CD2 HIS A 38 4.991 1.425 -10.200 1.00 0.00 C ATOM 589 CE1 HIS A 38 5.945 3.001 -9.020 1.00 0.00 C ATOM 590 NE2 HIS A 38 5.304 2.757 -10.140 1.00 0.00 N ATOM 0 HA HIS A 38 5.699 -1.391 -10.559 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.656 -0.651 -7.813 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.362 -0.842 -8.166 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.464 0.928 -11.001 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.313 3.966 -8.705 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.075 3.450 -10.853 1.00 0.00 H new ATOM 598 N ILE A 39 5.568 -3.120 -7.893 1.00 0.00 N ATOM 599 CA ILE A 39 5.909 -4.386 -7.282 1.00 0.00 C ATOM 600 C ILE A 39 5.369 -4.435 -5.855 1.00 0.00 C ATOM 601 O ILE A 39 5.226 -3.395 -5.206 1.00 0.00 O ATOM 602 CB ILE A 39 7.441 -4.591 -7.291 1.00 0.00 C ATOM 603 CG1 ILE A 39 7.817 -5.949 -6.705 1.00 0.00 C ATOM 604 CG2 ILE A 39 8.139 -3.466 -6.536 1.00 0.00 C ATOM 605 CD1 ILE A 39 9.296 -6.239 -6.778 1.00 0.00 C ATOM 0 H ILE A 39 5.527 -2.338 -7.239 1.00 0.00 H new ATOM 0 HA ILE A 39 5.453 -5.192 -7.857 1.00 0.00 H new ATOM 0 HB ILE A 39 7.777 -4.569 -8.328 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.496 -5.990 -5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.273 -6.730 -7.237 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.217 -3.629 -6.554 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.909 -2.512 -7.010 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.792 -3.451 -5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.496 -7.219 -6.345 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.618 -6.230 -7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.844 -5.478 -6.222 1.00 0.00 H new ATOM 617 N PHE A 40 5.037 -5.628 -5.382 1.00 0.00 N ATOM 618 CA PHE A 40 4.620 -5.807 -4.001 1.00 0.00 C ATOM 619 C PHE A 40 5.851 -5.913 -3.111 1.00 0.00 C ATOM 620 O PHE A 40 6.775 -6.677 -3.398 1.00 0.00 O ATOM 621 CB PHE A 40 3.715 -7.041 -3.849 1.00 0.00 C ATOM 622 CG PHE A 40 4.318 -8.326 -4.349 1.00 0.00 C ATOM 623 CD1 PHE A 40 4.304 -8.636 -5.701 1.00 0.00 C ATOM 624 CD2 PHE A 40 4.888 -9.229 -3.465 1.00 0.00 C ATOM 625 CE1 PHE A 40 4.850 -9.818 -6.161 1.00 0.00 C ATOM 626 CE2 PHE A 40 5.437 -10.413 -3.920 1.00 0.00 C ATOM 627 CZ PHE A 40 5.418 -10.708 -5.271 1.00 0.00 C ATOM 0 H PHE A 40 5.049 -6.485 -5.935 1.00 0.00 H new ATOM 0 HA PHE A 40 4.034 -4.941 -3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.460 -7.160 -2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.783 -6.860 -4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.861 -7.945 -6.402 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.903 -9.005 -2.409 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.833 -10.046 -7.216 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.880 -11.107 -3.221 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.846 -11.632 -5.629 1.00 0.00 H new ATOM 637 N ILE A 41 5.870 -5.139 -2.040 1.00 0.00 N ATOM 638 CA ILE A 41 7.055 -5.036 -1.210 1.00 0.00 C ATOM 639 C ILE A 41 6.777 -5.502 0.214 1.00 0.00 C ATOM 640 O ILE A 41 5.819 -5.058 0.852 1.00 0.00 O ATOM 641 CB ILE A 41 7.597 -3.589 -1.182 1.00 0.00 C ATOM 642 CG1 ILE A 41 7.838 -3.083 -2.609 1.00 0.00 C ATOM 643 CG2 ILE A 41 8.883 -3.519 -0.371 1.00 0.00 C ATOM 644 CD1 ILE A 41 8.294 -1.638 -2.679 1.00 0.00 C ATOM 0 H ILE A 41 5.080 -4.575 -1.726 1.00 0.00 H new ATOM 0 HA ILE A 41 7.809 -5.687 -1.652 1.00 0.00 H new ATOM 0 HB ILE A 41 6.853 -2.949 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.588 -3.714 -3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.918 -3.192 -3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.252 -2.493 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.687 -3.844 0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.633 -4.170 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.443 -1.354 -3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.535 -0.995 -2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.231 -1.525 -2.134 1.00 0.00 H new ATOM 656 N ASP A 42 7.610 -6.416 0.690 1.00 0.00 N ATOM 657 CA ASP A 42 7.547 -6.877 2.068 1.00 0.00 C ATOM 658 C ASP A 42 8.529 -6.078 2.908 1.00 0.00 C ATOM 659 O ASP A 42 9.605 -5.712 2.432 1.00 0.00 O ATOM 660 CB ASP A 42 7.898 -8.366 2.161 1.00 0.00 C ATOM 661 CG ASP A 42 6.928 -9.260 1.419 1.00 0.00 C ATOM 662 OD1 ASP A 42 7.153 -9.518 0.215 1.00 0.00 O ATOM 663 OD2 ASP A 42 5.964 -9.746 2.046 1.00 0.00 O ATOM 0 H ASP A 42 8.344 -6.856 0.135 1.00 0.00 H new ATOM 0 HA ASP A 42 6.531 -6.735 2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.901 -8.521 1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.923 -8.661 3.210 1.00 0.00 H new ATOM 668 N MET A 43 8.163 -5.794 4.146 1.00 0.00 N ATOM 669 CA MET A 43 9.047 -5.051 5.030 1.00 0.00 C ATOM 670 C MET A 43 10.096 -5.950 5.663 1.00 0.00 C ATOM 671 O MET A 43 9.888 -6.503 6.743 1.00 0.00 O ATOM 672 CB MET A 43 8.272 -4.316 6.123 1.00 0.00 C ATOM 673 CG MET A 43 7.656 -3.010 5.662 1.00 0.00 C ATOM 674 SD MET A 43 6.964 -2.062 7.027 1.00 0.00 S ATOM 675 CE MET A 43 6.468 -0.570 6.173 1.00 0.00 C ATOM 0 H MET A 43 7.270 -6.063 4.559 1.00 0.00 H new ATOM 0 HA MET A 43 9.552 -4.312 4.407 1.00 0.00 H new ATOM 0 HB2 MET A 43 7.482 -4.968 6.497 1.00 0.00 H new ATOM 0 HB3 MET A 43 8.942 -4.116 6.959 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.414 -2.413 5.155 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.873 -3.218 4.933 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.105 0.257 6.487 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.567 -0.716 5.097 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.430 -0.341 6.414 1.00 0.00 H new ATOM 685 N GLY A 44 11.221 -6.103 4.980 1.00 0.00 N ATOM 686 CA GLY A 44 12.362 -6.765 5.574 1.00 0.00 C ATOM 687 C GLY A 44 13.204 -5.773 6.343 1.00 0.00 C ATOM 688 O GLY A 44 14.430 -5.766 6.253 1.00 0.00 O ATOM 0 H GLY A 44 11.363 -5.779 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.024 -7.559 6.240 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.963 -7.236 4.796 1.00 0.00 H new ATOM 692 N SER A 45 12.531 -4.919 7.092 1.00 0.00 N ATOM 693 CA SER A 45 13.183 -3.850 7.817 1.00 0.00 C ATOM 694 C SER A 45 12.493 -3.635 9.159 1.00 0.00 C ATOM 695 O SER A 45 11.586 -4.386 9.525 1.00 0.00 O ATOM 696 CB SER A 45 13.164 -2.565 6.985 1.00 0.00 C ATOM 697 OG SER A 45 13.801 -2.760 5.730 1.00 0.00 O ATOM 0 H SER A 45 11.519 -4.949 7.213 1.00 0.00 H new ATOM 0 HA SER A 45 14.221 -4.124 8.003 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.134 -2.245 6.828 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.666 -1.767 7.531 1.00 0.00 H new ATOM 0 HG SER A 45 13.774 -1.926 5.217 1.00 0.00 H new ATOM 703 N THR A 46 12.926 -2.622 9.887 1.00 0.00 N ATOM 704 CA THR A 46 12.396 -2.355 11.209 1.00 0.00 C ATOM 705 C THR A 46 11.028 -1.685 11.165 1.00 0.00 C ATOM 706 O THR A 46 10.000 -2.318 11.424 1.00 0.00 O ATOM 707 CB THR A 46 13.377 -1.488 12.012 1.00 0.00 C ATOM 708 OG1 THR A 46 13.836 -0.398 11.201 1.00 0.00 O ATOM 709 CG2 THR A 46 14.564 -2.313 12.480 1.00 0.00 C ATOM 0 H THR A 46 13.647 -1.968 9.582 1.00 0.00 H new ATOM 0 HA THR A 46 12.270 -3.319 11.701 1.00 0.00 H new ATOM 0 HB THR A 46 12.858 -1.098 12.888 1.00 0.00 H new ATOM 0 HG1 THR A 46 14.460 0.154 11.717 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.246 -1.680 13.047 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.214 -3.127 13.114 1.00 0.00 H new ATOM 0 HG23 THR A 46 15.085 -2.725 11.615 1.00 0.00 H new ATOM 717 N ASP A 47 11.024 -0.409 10.843 1.00 0.00 N ATOM 718 CA ASP A 47 9.798 0.378 10.849 1.00 0.00 C ATOM 719 C ASP A 47 9.702 1.299 9.637 1.00 0.00 C ATOM 720 O ASP A 47 8.778 2.105 9.535 1.00 0.00 O ATOM 721 CB ASP A 47 9.700 1.201 12.142 1.00 0.00 C ATOM 722 CG ASP A 47 10.887 2.124 12.357 1.00 0.00 C ATOM 723 OD1 ASP A 47 10.903 3.225 11.775 1.00 0.00 O ATOM 724 OD2 ASP A 47 11.804 1.754 13.125 1.00 0.00 O ATOM 0 H ASP A 47 11.858 0.112 10.572 1.00 0.00 H new ATOM 0 HA ASP A 47 8.964 -0.322 10.799 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.786 1.795 12.118 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.617 0.523 12.991 1.00 0.00 H new ATOM 729 N GLU A 48 10.637 1.181 8.704 1.00 0.00 N ATOM 730 CA GLU A 48 10.606 2.022 7.516 1.00 0.00 C ATOM 731 C GLU A 48 11.197 1.307 6.306 1.00 0.00 C ATOM 732 O GLU A 48 12.185 0.583 6.420 1.00 0.00 O ATOM 733 CB GLU A 48 11.346 3.341 7.763 1.00 0.00 C ATOM 734 CG GLU A 48 12.803 3.173 8.167 1.00 0.00 C ATOM 735 CD GLU A 48 13.511 4.501 8.343 1.00 0.00 C ATOM 736 OE1 GLU A 48 13.435 5.080 9.448 1.00 0.00 O ATOM 737 OE2 GLU A 48 14.147 4.976 7.381 1.00 0.00 O ATOM 0 H GLU A 48 11.415 0.522 8.745 1.00 0.00 H new ATOM 0 HA GLU A 48 9.560 2.240 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.299 3.946 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.826 3.896 8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.856 2.610 9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.322 2.585 7.409 1.00 0.00 H new ATOM 744 N LYS A 49 10.567 1.502 5.155 1.00 0.00 N ATOM 745 CA LYS A 49 11.079 0.989 3.893 1.00 0.00 C ATOM 746 C LYS A 49 10.483 1.793 2.743 1.00 0.00 C ATOM 747 O LYS A 49 9.279 2.040 2.713 1.00 0.00 O ATOM 748 CB LYS A 49 10.745 -0.498 3.730 1.00 0.00 C ATOM 749 CG LYS A 49 11.438 -1.143 2.541 1.00 0.00 C ATOM 750 CD LYS A 49 11.181 -2.638 2.484 1.00 0.00 C ATOM 751 CE LYS A 49 11.965 -3.291 1.357 1.00 0.00 C ATOM 752 NZ LYS A 49 13.430 -3.281 1.614 1.00 0.00 N ATOM 0 H LYS A 49 9.691 2.018 5.071 1.00 0.00 H new ATOM 0 HA LYS A 49 12.164 1.091 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.029 -1.029 4.639 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.667 -0.611 3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.087 -0.678 1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.511 -0.960 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.459 -3.093 3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.116 -2.821 2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.627 -4.319 1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.758 -2.769 0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.904 -3.919 0.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.797 -2.316 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.614 -3.601 2.586 1.00 0.00 H new ATOM 766 N ILE A 50 11.320 2.213 1.809 1.00 0.00 N ATOM 767 CA ILE A 50 10.859 3.044 0.707 1.00 0.00 C ATOM 768 C ILE A 50 10.918 2.280 -0.616 1.00 0.00 C ATOM 769 O ILE A 50 11.722 1.364 -0.780 1.00 0.00 O ATOM 770 CB ILE A 50 11.695 4.346 0.592 1.00 0.00 C ATOM 771 CG1 ILE A 50 11.069 5.309 -0.426 1.00 0.00 C ATOM 772 CG2 ILE A 50 13.135 4.028 0.204 1.00 0.00 C ATOM 773 CD1 ILE A 50 11.799 6.630 -0.552 1.00 0.00 C ATOM 0 H ILE A 50 12.316 1.995 1.790 1.00 0.00 H new ATOM 0 HA ILE A 50 9.824 3.312 0.918 1.00 0.00 H new ATOM 0 HB ILE A 50 11.698 4.832 1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.044 4.824 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.035 5.502 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.705 4.954 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.583 3.387 0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.148 3.515 -0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.296 7.255 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 50 11.801 7.138 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.826 6.449 -0.869 1.00 0.00 H new ATOM 785 N CYS A 51 10.046 2.646 -1.541 1.00 0.00 N ATOM 786 CA CYS A 51 10.094 2.113 -2.890 1.00 0.00 C ATOM 787 C CYS A 51 10.906 3.052 -3.775 1.00 0.00 C ATOM 788 O CYS A 51 10.472 4.177 -4.049 1.00 0.00 O ATOM 789 CB CYS A 51 8.674 1.949 -3.451 1.00 0.00 C ATOM 790 SG CYS A 51 8.593 1.496 -5.212 1.00 0.00 S ATOM 0 H CYS A 51 9.293 3.314 -1.379 1.00 0.00 H new ATOM 0 HA CYS A 51 10.570 1.132 -2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.156 1.186 -2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.132 2.883 -3.306 1.00 0.00 H new ATOM 0 HG CYS A 51 8.002 2.444 -5.877 1.00 0.00 H new ATOM 795 N PRO A 52 12.106 2.615 -4.211 1.00 0.00 N ATOM 796 CA PRO A 52 12.962 3.402 -5.103 1.00 0.00 C ATOM 797 C PRO A 52 12.193 3.846 -6.337 1.00 0.00 C ATOM 798 O PRO A 52 12.238 5.009 -6.733 1.00 0.00 O ATOM 799 CB PRO A 52 14.100 2.441 -5.483 1.00 0.00 C ATOM 800 CG PRO A 52 13.671 1.092 -5.005 1.00 0.00 C ATOM 801 CD PRO A 52 12.723 1.330 -3.862 1.00 0.00 C ATOM 0 HA PRO A 52 13.328 4.314 -4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 52 14.267 2.439 -6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.038 2.741 -5.016 1.00 0.00 H new ATOM 0 HG2 PRO A 52 13.184 0.533 -5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 52 14.529 0.503 -4.682 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.982 0.535 -3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.246 1.379 -2.907 1.00 0.00 H new ATOM 809 N TYR A 53 11.457 2.910 -6.921 1.00 0.00 N ATOM 810 CA TYR A 53 10.543 3.230 -8.000 1.00 0.00 C ATOM 811 C TYR A 53 9.262 3.821 -7.413 1.00 0.00 C ATOM 812 O TYR A 53 8.229 3.133 -7.356 1.00 0.00 O ATOM 813 CB TYR A 53 10.207 1.978 -8.824 1.00 0.00 C ATOM 814 CG TYR A 53 11.417 1.242 -9.360 1.00 0.00 C ATOM 815 CD1 TYR A 53 12.138 1.743 -10.435 1.00 0.00 C ATOM 816 CD2 TYR A 53 11.836 0.040 -8.792 1.00 0.00 C ATOM 817 CE1 TYR A 53 13.244 1.077 -10.929 1.00 0.00 C ATOM 818 CE2 TYR A 53 12.941 -0.631 -9.281 1.00 0.00 C ATOM 819 CZ TYR A 53 13.640 -0.110 -10.351 1.00 0.00 C ATOM 820 OH TYR A 53 14.738 -0.777 -10.843 1.00 0.00 O ATOM 0 H TYR A 53 11.478 1.923 -6.663 1.00 0.00 H new ATOM 0 HA TYR A 53 11.019 3.954 -8.661 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.626 1.295 -8.205 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.572 2.268 -9.661 1.00 0.00 H new ATOM 0 HD1 TYR A 53 11.829 2.670 -10.894 1.00 0.00 H new ATOM 0 HD2 TYR A 53 11.289 -0.373 -7.957 1.00 0.00 H new ATOM 0 HE1 TYR A 53 13.795 1.485 -11.764 1.00 0.00 H new ATOM 0 HE2 TYR A 53 13.256 -1.559 -8.828 1.00 0.00 H new ATOM 0 HH TYR A 53 14.883 -1.595 -10.324 1.00 0.00 H new ATOM 830 N CYS A 54 9.362 5.057 -6.907 1.00 0.00 N ATOM 831 CA CYS A 54 8.229 5.789 -6.320 1.00 0.00 C ATOM 832 C CYS A 54 8.675 7.083 -5.653 1.00 0.00 C ATOM 833 O CYS A 54 8.301 8.169 -6.092 1.00 0.00 O ATOM 834 CB CYS A 54 7.485 4.961 -5.262 1.00 0.00 C ATOM 835 SG CYS A 54 6.075 4.023 -5.892 1.00 0.00 S ATOM 0 H CYS A 54 10.237 5.582 -6.893 1.00 0.00 H new ATOM 0 HA CYS A 54 7.564 6.004 -7.157 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.189 4.268 -4.802 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.137 5.630 -4.475 1.00 0.00 H new ATOM 0 HG CYS A 54 6.499 3.077 -6.676 1.00 0.00 H new ATOM 840 N SER A 55 9.499 6.944 -4.608 1.00 0.00 N ATOM 841 CA SER A 55 9.688 8.000 -3.616 1.00 0.00 C ATOM 842 C SER A 55 8.385 8.123 -2.830 1.00 0.00 C ATOM 843 O SER A 55 7.480 8.871 -3.197 1.00 0.00 O ATOM 844 CB SER A 55 10.097 9.339 -4.254 1.00 0.00 C ATOM 845 OG SER A 55 10.446 10.299 -3.268 1.00 0.00 O ATOM 0 H SER A 55 10.048 6.103 -4.430 1.00 0.00 H new ATOM 0 HA SER A 55 10.511 7.738 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.942 9.181 -4.925 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.275 9.721 -4.860 1.00 0.00 H new ATOM 0 HG SER A 55 10.702 11.138 -3.705 1.00 0.00 H new ATOM 851 N THR A 56 8.294 7.337 -1.765 1.00 0.00 N ATOM 852 CA THR A 56 7.068 7.065 -1.058 1.00 0.00 C ATOM 853 C THR A 56 7.466 6.260 0.167 1.00 0.00 C ATOM 854 O THR A 56 7.158 5.077 0.274 1.00 0.00 O ATOM 855 CB THR A 56 6.067 6.239 -1.912 1.00 0.00 C ATOM 856 OG1 THR A 56 5.838 6.860 -3.183 1.00 0.00 O ATOM 857 CG2 THR A 56 4.736 6.077 -1.200 1.00 0.00 C ATOM 0 H THR A 56 9.102 6.861 -1.364 1.00 0.00 H new ATOM 0 HA THR A 56 6.566 8.000 -0.808 1.00 0.00 H new ATOM 0 HB THR A 56 6.516 5.257 -2.063 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.102 7.803 -3.139 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.058 5.495 -1.824 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.891 5.561 -0.252 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.302 7.059 -1.012 1.00 0.00 H new ATOM 865 N LEU A 57 8.244 6.890 1.037 1.00 0.00 N ATOM 866 CA LEU A 57 8.824 6.201 2.181 1.00 0.00 C ATOM 867 C LEU A 57 7.716 5.641 3.055 1.00 0.00 C ATOM 868 O LEU A 57 7.020 6.397 3.731 1.00 0.00 O ATOM 869 CB LEU A 57 9.719 7.158 2.982 1.00 0.00 C ATOM 870 CG LEU A 57 10.884 6.511 3.746 1.00 0.00 C ATOM 871 CD1 LEU A 57 11.774 7.584 4.349 1.00 0.00 C ATOM 872 CD2 LEU A 57 10.382 5.576 4.837 1.00 0.00 C ATOM 0 H LEU A 57 8.488 7.878 0.972 1.00 0.00 H new ATOM 0 HA LEU A 57 9.442 5.376 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.128 7.900 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.095 7.694 3.697 1.00 0.00 H new ATOM 0 HG LEU A 57 11.462 5.920 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.596 7.114 4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.174 8.214 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.191 8.195 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.232 5.135 5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.774 6.138 5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.780 4.785 4.390 1.00 0.00 H new ATOM 884 N TYR A 58 7.543 4.326 3.009 1.00 0.00 N ATOM 885 CA TYR A 58 6.512 3.667 3.787 1.00 0.00 C ATOM 886 C TYR A 58 6.969 3.490 5.221 1.00 0.00 C ATOM 887 O TYR A 58 7.850 2.680 5.516 1.00 0.00 O ATOM 888 CB TYR A 58 6.128 2.320 3.170 1.00 0.00 C ATOM 889 CG TYR A 58 5.328 2.442 1.889 1.00 0.00 C ATOM 890 CD1 TYR A 58 3.984 2.788 1.924 1.00 0.00 C ATOM 891 CD2 TYR A 58 5.914 2.216 0.648 1.00 0.00 C ATOM 892 CE1 TYR A 58 3.246 2.904 0.764 1.00 0.00 C ATOM 893 CE2 TYR A 58 5.180 2.331 -0.519 1.00 0.00 C ATOM 894 CZ TYR A 58 3.847 2.673 -0.454 1.00 0.00 C ATOM 895 OH TYR A 58 3.110 2.787 -1.613 1.00 0.00 O ATOM 0 H TYR A 58 8.107 3.697 2.438 1.00 0.00 H new ATOM 0 HA TYR A 58 5.624 4.299 3.779 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.036 1.751 2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.549 1.750 3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.508 2.970 2.876 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.958 1.946 0.595 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.202 3.175 0.811 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.649 2.154 -1.475 1.00 0.00 H new ATOM 0 HH TYR A 58 3.682 2.593 -2.385 1.00 0.00 H new ATOM 905 N ARG A 59 6.388 4.279 6.105 1.00 0.00 N ATOM 906 CA ARG A 59 6.725 4.212 7.515 1.00 0.00 C ATOM 907 C ARG A 59 5.672 3.443 8.291 1.00 0.00 C ATOM 908 O ARG A 59 4.492 3.783 8.262 1.00 0.00 O ATOM 909 CB ARG A 59 6.888 5.607 8.118 1.00 0.00 C ATOM 910 CG ARG A 59 8.123 6.345 7.636 1.00 0.00 C ATOM 911 CD ARG A 59 8.478 7.479 8.583 1.00 0.00 C ATOM 912 NE ARG A 59 9.713 8.158 8.200 1.00 0.00 N ATOM 913 CZ ARG A 59 10.939 7.726 8.505 1.00 0.00 C ATOM 914 NH1 ARG A 59 11.107 6.592 9.182 1.00 0.00 N ATOM 915 NH2 ARG A 59 11.996 8.439 8.143 1.00 0.00 N ATOM 0 H ARG A 59 5.680 4.975 5.872 1.00 0.00 H new ATOM 0 HA ARG A 59 7.677 3.687 7.591 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.006 6.201 7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.929 5.520 9.204 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.961 5.652 7.562 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.948 6.742 6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.661 8.201 8.604 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.581 7.085 9.594 1.00 0.00 H new ATOM 0 HE ARG A 59 9.634 9.021 7.663 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.296 6.046 9.472 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.047 6.269 9.411 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.871 9.314 7.634 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.935 8.113 8.374 1.00 0.00 H new ATOM 929 N TYR A 60 6.107 2.403 8.973 1.00 0.00 N ATOM 930 CA TYR A 60 5.240 1.639 9.847 1.00 0.00 C ATOM 931 C TYR A 60 5.539 1.998 11.295 1.00 0.00 C ATOM 932 O TYR A 60 6.539 1.562 11.865 1.00 0.00 O ATOM 933 CB TYR A 60 5.427 0.136 9.598 1.00 0.00 C ATOM 934 CG TYR A 60 4.901 -0.752 10.705 1.00 0.00 C ATOM 935 CD1 TYR A 60 3.552 -0.779 11.034 1.00 0.00 C ATOM 936 CD2 TYR A 60 5.767 -1.561 11.427 1.00 0.00 C ATOM 937 CE1 TYR A 60 3.082 -1.589 12.053 1.00 0.00 C ATOM 938 CE2 TYR A 60 5.307 -2.369 12.444 1.00 0.00 C ATOM 939 CZ TYR A 60 3.967 -2.382 12.755 1.00 0.00 C ATOM 940 OH TYR A 60 3.515 -3.189 13.775 1.00 0.00 O ATOM 0 H TYR A 60 7.068 2.064 8.937 1.00 0.00 H new ATOM 0 HA TYR A 60 4.199 1.884 9.636 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.927 -0.130 8.667 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.489 -0.067 9.459 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.859 -0.158 10.486 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.820 -1.557 11.188 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.030 -1.600 12.297 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.997 -2.991 12.996 1.00 0.00 H new ATOM 0 HH TYR A 60 4.269 -3.681 14.162 1.00 0.00 H new ATOM 950 N ASP A 61 4.686 2.824 11.875 1.00 0.00 N ATOM 951 CA ASP A 61 4.884 3.284 13.239 1.00 0.00 C ATOM 952 C ASP A 61 4.110 2.398 14.205 1.00 0.00 C ATOM 953 O ASP A 61 2.975 2.022 13.923 1.00 0.00 O ATOM 954 CB ASP A 61 4.437 4.742 13.379 1.00 0.00 C ATOM 955 CG ASP A 61 4.885 5.358 14.688 1.00 0.00 C ATOM 956 OD1 ASP A 61 4.197 5.160 15.712 1.00 0.00 O ATOM 957 OD2 ASP A 61 5.934 6.036 14.698 1.00 0.00 O ATOM 0 H ASP A 61 3.849 3.190 11.422 1.00 0.00 H new ATOM 0 HA ASP A 61 5.945 3.223 13.480 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.839 5.324 12.550 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.351 4.795 13.308 1.00 0.00 H new ATOM 962 N PRO A 62 4.715 2.041 15.349 1.00 0.00 N ATOM 963 CA PRO A 62 4.069 1.198 16.362 1.00 0.00 C ATOM 964 C PRO A 62 2.744 1.770 16.872 1.00 0.00 C ATOM 965 O PRO A 62 1.896 1.028 17.374 1.00 0.00 O ATOM 966 CB PRO A 62 5.096 1.133 17.500 1.00 0.00 C ATOM 967 CG PRO A 62 6.063 2.234 17.228 1.00 0.00 C ATOM 968 CD PRO A 62 6.086 2.404 15.738 1.00 0.00 C ATOM 0 HA PRO A 62 3.807 0.224 15.948 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.616 1.263 18.470 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.598 0.166 17.520 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.754 3.156 17.721 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.054 1.986 17.608 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.331 3.427 15.451 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.825 1.755 15.268 1.00 0.00 H new ATOM 976 N SER A 63 2.563 3.081 16.748 1.00 0.00 N ATOM 977 CA SER A 63 1.326 3.712 17.181 1.00 0.00 C ATOM 978 C SER A 63 0.212 3.439 16.170 1.00 0.00 C ATOM 979 O SER A 63 -0.966 3.391 16.527 1.00 0.00 O ATOM 980 CB SER A 63 1.526 5.223 17.366 1.00 0.00 C ATOM 981 OG SER A 63 0.360 5.834 17.897 1.00 0.00 O ATOM 0 H SER A 63 3.253 3.721 16.354 1.00 0.00 H new ATOM 0 HA SER A 63 1.037 3.286 18.142 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.369 5.402 18.033 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.775 5.680 16.408 1.00 0.00 H new ATOM 0 HG SER A 63 0.515 6.795 18.006 1.00 0.00 H new ATOM 987 N LEU A 64 0.595 3.232 14.917 1.00 0.00 N ATOM 988 CA LEU A 64 -0.367 2.982 13.853 1.00 0.00 C ATOM 989 C LEU A 64 -0.888 1.555 13.938 1.00 0.00 C ATOM 990 O LEU A 64 -0.146 0.629 14.276 1.00 0.00 O ATOM 991 CB LEU A 64 0.273 3.226 12.482 1.00 0.00 C ATOM 992 CG LEU A 64 0.756 4.655 12.228 1.00 0.00 C ATOM 993 CD1 LEU A 64 1.455 4.750 10.882 1.00 0.00 C ATOM 994 CD2 LEU A 64 -0.405 5.637 12.287 1.00 0.00 C ATOM 0 H LEU A 64 1.568 3.232 14.612 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.203 3.671 13.976 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.120 2.549 12.370 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.450 2.963 11.710 1.00 0.00 H new ATOM 0 HG LEU A 64 1.468 4.915 13.011 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.792 5.774 10.718 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.314 4.079 10.870 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.761 4.465 10.091 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.037 6.647 12.103 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.142 5.375 11.527 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.869 5.593 13.272 1.00 0.00 H new ATOM 1006 N SER A 65 -2.168 1.379 13.663 1.00 0.00 N ATOM 1007 CA SER A 65 -2.770 0.057 13.694 1.00 0.00 C ATOM 1008 C SER A 65 -2.856 -0.526 12.287 1.00 0.00 C ATOM 1009 O SER A 65 -2.764 0.202 11.296 1.00 0.00 O ATOM 1010 CB SER A 65 -4.155 0.126 14.334 1.00 0.00 C ATOM 1011 OG SER A 65 -4.091 0.736 15.614 1.00 0.00 O ATOM 0 H SER A 65 -2.810 2.132 13.416 1.00 0.00 H new ATOM 0 HA SER A 65 -2.141 -0.599 14.295 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.830 0.691 13.691 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.568 -0.878 14.426 1.00 0.00 H new ATOM 0 HG SER A 65 -4.989 0.771 16.005 1.00 0.00 H new ATOM 1017 N TYR A 66 -3.054 -1.837 12.208 1.00 0.00 N ATOM 1018 CA TYR A 66 -3.050 -2.552 10.934 1.00 0.00 C ATOM 1019 C TYR A 66 -4.301 -2.255 10.104 1.00 0.00 C ATOM 1020 O TYR A 66 -4.433 -2.732 8.979 1.00 0.00 O ATOM 1021 CB TYR A 66 -2.931 -4.062 11.176 1.00 0.00 C ATOM 1022 CG TYR A 66 -1.593 -4.490 11.743 1.00 0.00 C ATOM 1023 CD1 TYR A 66 -1.282 -4.290 13.084 1.00 0.00 C ATOM 1024 CD2 TYR A 66 -0.639 -5.101 10.936 1.00 0.00 C ATOM 1025 CE1 TYR A 66 -0.062 -4.682 13.602 1.00 0.00 C ATOM 1026 CE2 TYR A 66 0.581 -5.496 11.447 1.00 0.00 C ATOM 1027 CZ TYR A 66 0.866 -5.285 12.780 1.00 0.00 C ATOM 1028 OH TYR A 66 2.083 -5.680 13.290 1.00 0.00 O ATOM 0 H TYR A 66 -3.221 -2.433 13.019 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.187 -2.202 10.367 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.721 -4.374 11.860 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.100 -4.585 10.235 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.007 -3.820 13.732 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.857 -5.269 9.892 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.163 -4.517 14.645 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.310 -5.969 10.805 1.00 0.00 H new ATOM 0 HH TYR A 66 2.630 -4.889 13.481 1.00 0.00 H new ATOM 1038 N ASN A 67 -5.213 -1.468 10.659 1.00 0.00 N ATOM 1039 CA ASN A 67 -6.431 -1.097 9.948 1.00 0.00 C ATOM 1040 C ASN A 67 -6.328 0.327 9.415 1.00 0.00 C ATOM 1041 O ASN A 67 -7.257 0.835 8.785 1.00 0.00 O ATOM 1042 CB ASN A 67 -7.657 -1.226 10.861 1.00 0.00 C ATOM 1043 CG ASN A 67 -7.982 -2.665 11.213 1.00 0.00 C ATOM 1044 OD1 ASN A 67 -7.480 -3.206 12.198 1.00 0.00 O ATOM 1045 ND2 ASN A 67 -8.835 -3.293 10.415 1.00 0.00 N ATOM 0 H ASN A 67 -5.134 -1.075 11.597 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.550 -1.781 9.107 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.481 -0.664 11.778 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.519 -0.774 10.370 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.097 -4.260 10.608 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.229 -2.809 9.608 1.00 0.00 H new ATOM 1052 N GLN A 68 -5.196 0.973 9.669 1.00 0.00 N ATOM 1053 CA GLN A 68 -4.975 2.334 9.202 1.00 0.00 C ATOM 1054 C GLN A 68 -3.715 2.403 8.351 1.00 0.00 C ATOM 1055 O GLN A 68 -2.942 1.446 8.283 1.00 0.00 O ATOM 1056 CB GLN A 68 -4.855 3.322 10.372 1.00 0.00 C ATOM 1057 CG GLN A 68 -6.099 3.427 11.245 1.00 0.00 C ATOM 1058 CD GLN A 68 -6.075 2.476 12.426 1.00 0.00 C ATOM 1059 OE1 GLN A 68 -6.538 1.341 12.343 1.00 0.00 O ATOM 1060 NE2 GLN A 68 -5.527 2.936 13.541 1.00 0.00 N ATOM 0 H GLN A 68 -4.418 0.576 10.196 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.840 2.617 8.602 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.013 3.024 10.997 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -4.623 4.310 9.974 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.195 4.449 11.611 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.981 3.222 10.638 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.153 3.884 13.572 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.479 2.342 14.369 1.00 0.00 H new ATOM 1069 N THR A 69 -3.509 3.537 7.704 1.00 0.00 N ATOM 1070 CA THR A 69 -2.321 3.738 6.897 1.00 0.00 C ATOM 1071 C THR A 69 -1.630 5.042 7.269 1.00 0.00 C ATOM 1072 O THR A 69 -0.582 5.037 7.906 1.00 0.00 O ATOM 1073 CB THR A 69 -2.640 3.676 5.375 1.00 0.00 C ATOM 1074 OG1 THR A 69 -1.533 4.158 4.600 1.00 0.00 O ATOM 1075 CG2 THR A 69 -3.890 4.471 5.019 1.00 0.00 C ATOM 0 H THR A 69 -4.149 4.331 7.722 1.00 0.00 H new ATOM 0 HA THR A 69 -1.633 2.920 7.111 1.00 0.00 H new ATOM 0 HB THR A 69 -2.822 2.628 5.137 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.742 4.235 5.173 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.074 4.399 3.947 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.745 4.067 5.562 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.747 5.516 5.293 1.00 0.00 H new ATOM 1083 N ASN A 70 -2.246 6.141 6.921 1.00 0.00 N ATOM 1084 CA ASN A 70 -1.654 7.446 7.098 1.00 0.00 C ATOM 1085 C ASN A 70 -2.744 8.450 7.471 1.00 0.00 C ATOM 1086 O ASN A 70 -3.930 8.109 7.437 1.00 0.00 O ATOM 1087 CB ASN A 70 -0.904 7.858 5.819 1.00 0.00 C ATOM 1088 CG ASN A 70 -1.812 8.033 4.615 1.00 0.00 C ATOM 1089 OD1 ASN A 70 -2.335 9.118 4.373 1.00 0.00 O ATOM 1090 ND2 ASN A 70 -1.993 6.972 3.841 1.00 0.00 N ATOM 0 H ASN A 70 -3.177 6.159 6.505 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.927 7.422 7.910 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.374 8.792 6.003 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.151 7.104 5.590 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.583 7.040 3.012 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.542 6.087 4.074 1.00 0.00 H new ATOM 1097 N PRO A 71 -2.362 9.684 7.846 1.00 0.00 N ATOM 1098 CA PRO A 71 -3.304 10.705 8.334 1.00 0.00 C ATOM 1099 C PRO A 71 -4.367 11.100 7.306 1.00 0.00 C ATOM 1100 O PRO A 71 -4.349 10.648 6.159 1.00 0.00 O ATOM 1101 CB PRO A 71 -2.406 11.906 8.656 1.00 0.00 C ATOM 1102 CG PRO A 71 -1.154 11.676 7.883 1.00 0.00 C ATOM 1103 CD PRO A 71 -0.979 10.187 7.826 1.00 0.00 C ATOM 0 HA PRO A 71 -3.874 10.332 9.185 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.882 12.843 8.365 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.203 11.970 9.725 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.229 12.100 6.882 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.302 12.152 8.368 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.451 9.878 6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.404 9.817 8.674 1.00 0.00 H new ATOM 1111 N THR A 72 -5.288 11.955 7.742 1.00 0.00 N ATOM 1112 CA THR A 72 -6.381 12.446 6.907 1.00 0.00 C ATOM 1113 C THR A 72 -7.470 11.387 6.740 1.00 0.00 C ATOM 1114 O THR A 72 -8.578 11.547 7.258 1.00 0.00 O ATOM 1115 CB THR A 72 -5.876 12.929 5.529 1.00 0.00 C ATOM 1116 OG1 THR A 72 -4.818 13.881 5.714 1.00 0.00 O ATOM 1117 CG2 THR A 72 -6.999 13.573 4.728 1.00 0.00 C ATOM 0 H THR A 72 -5.297 12.329 8.691 1.00 0.00 H new ATOM 0 HA THR A 72 -6.815 13.304 7.421 1.00 0.00 H new ATOM 0 HB THR A 72 -5.510 12.064 4.976 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.496 14.186 4.840 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.615 13.903 3.763 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.797 12.847 4.571 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.391 14.430 5.275 1.00 0.00 H new ATOM 1125 N GLY A 73 -7.148 10.302 6.053 1.00 0.00 N ATOM 1126 CA GLY A 73 -8.124 9.251 5.829 1.00 0.00 C ATOM 1127 C GLY A 73 -8.026 8.669 4.436 1.00 0.00 C ATOM 1128 O GLY A 73 -9.028 8.529 3.735 1.00 0.00 O ATOM 0 H GLY A 73 -6.229 10.128 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.978 8.459 6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.127 9.649 5.985 1.00 0.00 H new ATOM 1132 N CYS A 74 -6.812 8.336 4.033 1.00 0.00 N ATOM 1133 CA CYS A 74 -6.561 7.797 2.712 1.00 0.00 C ATOM 1134 C CYS A 74 -6.910 6.313 2.659 1.00 0.00 C ATOM 1135 O CYS A 74 -6.052 5.458 2.859 1.00 0.00 O ATOM 1136 CB CYS A 74 -5.092 8.013 2.352 1.00 0.00 C ATOM 1137 SG CYS A 74 -4.554 9.732 2.501 1.00 0.00 S ATOM 0 H CYS A 74 -5.977 8.432 4.611 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.191 8.315 1.989 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.473 7.390 2.998 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.924 7.676 1.329 1.00 0.00 H new ATOM 0 HG CYS A 74 -3.650 9.825 3.430 1.00 0.00 H new ATOM 1143 N LEU A 75 -8.174 6.011 2.412 1.00 0.00 N ATOM 1144 CA LEU A 75 -8.632 4.631 2.345 1.00 0.00 C ATOM 1145 C LEU A 75 -9.460 4.437 1.083 1.00 0.00 C ATOM 1146 O LEU A 75 -10.477 5.103 0.892 1.00 0.00 O ATOM 1147 CB LEU A 75 -9.448 4.289 3.602 1.00 0.00 C ATOM 1148 CG LEU A 75 -9.566 2.797 3.952 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -10.466 2.064 2.969 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -8.189 2.152 3.994 1.00 0.00 C ATOM 0 H LEU A 75 -8.904 6.705 2.254 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.776 3.957 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.001 4.805 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.453 4.692 3.478 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.021 2.721 4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.527 1.012 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.463 2.503 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.054 2.151 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.289 1.096 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.711 2.251 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.579 2.646 4.750 1.00 0.00 H new ATOM 1162 N TYR A 76 -9.016 3.532 0.224 1.00 0.00 N ATOM 1163 CA TYR A 76 -9.639 3.343 -1.077 1.00 0.00 C ATOM 1164 C TYR A 76 -10.724 2.270 -1.023 1.00 0.00 C ATOM 1165 O TYR A 76 -10.449 1.096 -0.774 1.00 0.00 O ATOM 1166 CB TYR A 76 -8.574 2.981 -2.121 1.00 0.00 C ATOM 1167 CG TYR A 76 -9.131 2.649 -3.489 1.00 0.00 C ATOM 1168 CD1 TYR A 76 -10.028 3.499 -4.126 1.00 0.00 C ATOM 1169 CD2 TYR A 76 -8.764 1.478 -4.137 1.00 0.00 C ATOM 1170 CE1 TYR A 76 -10.542 3.189 -5.372 1.00 0.00 C ATOM 1171 CE2 TYR A 76 -9.275 1.160 -5.381 1.00 0.00 C ATOM 1172 CZ TYR A 76 -10.162 2.018 -5.994 1.00 0.00 C ATOM 1173 OH TYR A 76 -10.679 1.701 -7.232 1.00 0.00 O ATOM 0 H TYR A 76 -8.224 2.915 0.405 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.116 4.280 -1.366 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.878 3.814 -2.217 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -8.001 2.128 -1.758 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.328 4.416 -3.640 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.067 0.804 -3.661 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.237 3.860 -5.855 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.981 0.243 -5.870 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.309 0.844 -7.531 1.00 0.00 H new ATOM 1183 N ASN A 77 -11.959 2.693 -1.245 1.00 0.00 N ATOM 1184 CA ASN A 77 -13.084 1.772 -1.333 1.00 0.00 C ATOM 1185 C ASN A 77 -13.687 1.816 -2.733 1.00 0.00 C ATOM 1186 O ASN A 77 -14.392 2.763 -3.076 1.00 0.00 O ATOM 1187 CB ASN A 77 -14.156 2.108 -0.292 1.00 0.00 C ATOM 1188 CG ASN A 77 -13.762 1.715 1.123 1.00 0.00 C ATOM 1189 OD1 ASN A 77 -14.148 2.373 2.090 1.00 0.00 O ATOM 1190 ND2 ASN A 77 -12.995 0.641 1.258 1.00 0.00 N ATOM 0 H ASN A 77 -12.209 3.674 -1.368 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.715 0.767 -1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -14.359 3.179 -0.322 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -15.083 1.600 -0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.705 0.335 2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.695 0.121 0.433 1.00 0.00 H new