USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 475 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 Single : A 29 GLN : amide:sc= 0.871 K(o=0.87,f=-0.41) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= 2.45 (180deg=1.45) USER MOD Single : A 32 CYS SG : rot -174:sc= -4.02! USER MOD Single : A 34 SER OG : rot 180:sc= 0.105 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.413 K(o=0.41,f=-3.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -130:sc= 1.13 (180deg=0.389) USER MOD Single : A 54 ASN : amide:sc= 0.93 K(o=0.93,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.658 K(o=0.66,f=-0.43) USER MOD Single : A 68 GLN : amide:sc= 0.557 K(o=0.56,f=-6.9!) USER MOD Single : A 71 MET CE :methyl 179:sc= 0 (180deg=-0.00413) USER MOD Single : A 77 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.014) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ASP A 23 -12.372 3.166 -2.176 1.00 0.00 N ATOM 20 CA ASP A 23 -12.280 1.774 -2.546 1.00 0.00 C ATOM 21 C ASP A 23 -10.808 1.386 -2.509 1.00 0.00 C ATOM 22 O ASP A 23 -10.020 1.761 -3.374 1.00 0.00 O ATOM 23 CB ASP A 23 -12.903 1.611 -3.939 1.00 0.00 C ATOM 24 CG ASP A 23 -14.353 2.081 -3.967 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.561 3.259 -3.586 1.00 0.00 O ATOM 26 OD2 ASP A 23 -15.217 1.261 -4.337 1.00 0.00 O ATOM 0 HA ASP A 23 -12.821 1.118 -1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.322 2.179 -4.666 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.854 0.564 -4.239 1.00 0.00 H new ATOM 31 N ALA A 24 -10.439 0.688 -1.438 1.00 0.00 N ATOM 32 CA ALA A 24 -9.059 0.444 -1.075 1.00 0.00 C ATOM 33 C ALA A 24 -8.248 -0.099 -2.245 1.00 0.00 C ATOM 34 O ALA A 24 -7.191 0.433 -2.584 1.00 0.00 O ATOM 35 CB ALA A 24 -9.017 -0.543 0.079 1.00 0.00 C ATOM 0 H ALA A 24 -11.108 0.271 -0.791 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.613 1.394 -0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.981 -0.732 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.553 -0.128 0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.487 -1.478 -0.225 1.00 0.00 H new ATOM 41 N GLU A 25 -8.752 -1.164 -2.871 1.00 0.00 N ATOM 42 CA GLU A 25 -8.048 -1.735 -3.998 1.00 0.00 C ATOM 43 C GLU A 25 -7.921 -0.697 -5.108 1.00 0.00 C ATOM 44 O GLU A 25 -6.852 -0.590 -5.686 1.00 0.00 O ATOM 45 CB GLU A 25 -8.656 -3.070 -4.444 1.00 0.00 C ATOM 46 CG GLU A 25 -9.658 -2.958 -5.586 1.00 0.00 C ATOM 47 CD GLU A 25 -10.208 -4.334 -5.926 1.00 0.00 C ATOM 48 OE1 GLU A 25 -9.558 -5.011 -6.750 1.00 0.00 O ATOM 49 OE2 GLU A 25 -11.240 -4.693 -5.322 1.00 0.00 O ATOM 0 H GLU A 25 -9.623 -1.632 -2.619 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.034 -1.995 -3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.850 -3.738 -4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.149 -3.534 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.472 -2.291 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.178 -2.522 -6.462 1.00 0.00 H new ATOM 56 N ALA A 26 -8.965 0.101 -5.375 1.00 0.00 N ATOM 57 CA ALA A 26 -8.925 1.130 -6.407 1.00 0.00 C ATOM 58 C ALA A 26 -7.806 2.129 -6.128 1.00 0.00 C ATOM 59 O ALA A 26 -7.058 2.466 -7.042 1.00 0.00 O ATOM 60 CB ALA A 26 -10.266 1.853 -6.543 1.00 0.00 C ATOM 0 H ALA A 26 -9.855 0.046 -4.880 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.723 0.631 -7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.193 2.612 -7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.042 1.134 -6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.520 2.329 -5.596 1.00 0.00 H new ATOM 66 N VAL A 27 -7.666 2.577 -4.871 1.00 0.00 N ATOM 67 CA VAL A 27 -6.486 3.332 -4.461 1.00 0.00 C ATOM 68 C VAL A 27 -5.258 2.567 -4.920 1.00 0.00 C ATOM 69 O VAL A 27 -4.508 3.104 -5.730 1.00 0.00 O ATOM 70 CB VAL A 27 -6.465 3.646 -2.951 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.200 4.428 -2.568 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.687 4.478 -2.550 1.00 0.00 C ATOM 0 H VAL A 27 -8.352 2.428 -4.131 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.503 4.313 -4.936 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.479 2.691 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.211 4.636 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.318 3.836 -2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.172 5.367 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.650 4.687 -1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.685 5.417 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.596 3.923 -2.780 1.00 0.00 H new ATOM 82 N VAL A 28 -5.015 1.330 -4.476 1.00 0.00 N ATOM 83 CA VAL A 28 -3.699 0.790 -4.756 1.00 0.00 C ATOM 84 C VAL A 28 -3.464 0.601 -6.262 1.00 0.00 C ATOM 85 O VAL A 28 -2.430 1.011 -6.802 1.00 0.00 O ATOM 86 CB VAL A 28 -3.451 -0.403 -3.842 1.00 0.00 C ATOM 87 CG1 VAL A 28 -2.007 -0.892 -3.897 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.736 0.041 -2.396 1.00 0.00 C ATOM 0 H VAL A 28 -5.660 0.730 -3.962 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.911 1.501 -4.507 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.099 -1.216 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.885 -1.743 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.764 -1.194 -4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.339 -0.088 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.566 -0.796 -1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.072 0.864 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.772 0.370 -2.314 1.00 0.00 H new ATOM 98 N GLN A 29 -4.509 0.114 -6.930 1.00 0.00 N ATOM 99 CA GLN A 29 -4.692 -0.033 -8.366 1.00 0.00 C ATOM 100 C GLN A 29 -4.651 1.290 -9.147 1.00 0.00 C ATOM 101 O GLN A 29 -4.776 1.256 -10.368 1.00 0.00 O ATOM 102 CB GLN A 29 -5.998 -0.816 -8.614 1.00 0.00 C ATOM 103 CG GLN A 29 -5.899 -2.278 -8.146 1.00 0.00 C ATOM 104 CD GLN A 29 -4.843 -3.049 -8.935 1.00 0.00 C ATOM 105 OE1 GLN A 29 -4.750 -2.918 -10.150 1.00 0.00 O ATOM 106 NE2 GLN A 29 -4.011 -3.829 -8.252 1.00 0.00 N ATOM 0 H GLN A 29 -5.329 -0.220 -6.424 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.840 -0.590 -8.756 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.819 -0.324 -8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.237 -0.792 -9.677 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.653 -2.305 -7.084 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.868 -2.764 -8.261 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.111 -3.920 -7.241 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.272 -4.337 -8.739 1.00 0.00 H new ATOM 115 N GLN A 30 -4.451 2.447 -8.499 1.00 0.00 N ATOM 116 CA GLN A 30 -4.228 3.708 -9.209 1.00 0.00 C ATOM 117 C GLN A 30 -3.177 4.637 -8.583 1.00 0.00 C ATOM 118 O GLN A 30 -2.768 5.600 -9.230 1.00 0.00 O ATOM 119 CB GLN A 30 -5.571 4.427 -9.411 1.00 0.00 C ATOM 120 CG GLN A 30 -5.773 4.750 -10.897 1.00 0.00 C ATOM 121 CD GLN A 30 -7.152 5.335 -11.169 1.00 0.00 C ATOM 122 OE1 GLN A 30 -7.955 4.750 -11.885 1.00 0.00 O ATOM 123 NE2 GLN A 30 -7.441 6.505 -10.607 1.00 0.00 N ATOM 0 H GLN A 30 -4.440 2.532 -7.483 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.795 3.440 -10.173 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.387 3.799 -9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.594 5.345 -8.824 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.009 5.456 -11.222 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.641 3.843 -11.487 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.753 6.970 -10.015 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.351 6.937 -10.768 1.00 0.00 H new ATOM 132 N LYS A 31 -2.752 4.389 -7.343 1.00 0.00 N ATOM 133 CA LYS A 31 -1.857 5.239 -6.572 1.00 0.00 C ATOM 134 C LYS A 31 -0.520 4.542 -6.299 1.00 0.00 C ATOM 135 O LYS A 31 0.458 5.221 -5.984 1.00 0.00 O ATOM 136 CB LYS A 31 -2.577 5.615 -5.264 1.00 0.00 C ATOM 137 CG LYS A 31 -3.542 6.796 -5.449 1.00 0.00 C ATOM 138 CD LYS A 31 -2.967 8.024 -4.729 1.00 0.00 C ATOM 139 CE LYS A 31 -3.844 9.273 -4.870 1.00 0.00 C ATOM 140 NZ LYS A 31 -3.801 10.100 -3.647 1.00 0.00 N ATOM 0 H LYS A 31 -3.037 3.554 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.619 6.140 -7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.130 4.751 -4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.837 5.868 -4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.678 7.010 -6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.524 6.548 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.844 7.792 -3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.975 8.238 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.506 9.863 -5.722 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.873 8.976 -5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.872 11.105 -3.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.596 9.845 -3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.905 9.933 -3.147 1.00 0.00 H new ATOM 154 N CYS A 32 -0.473 3.205 -6.369 1.00 0.00 N ATOM 155 CA CYS A 32 0.667 2.428 -5.897 1.00 0.00 C ATOM 156 C CYS A 32 1.236 1.546 -7.013 1.00 0.00 C ATOM 157 O CYS A 32 2.459 1.446 -7.160 1.00 0.00 O ATOM 158 CB CYS A 32 0.232 1.595 -4.692 1.00 0.00 C ATOM 159 SG CYS A 32 -0.916 2.478 -3.575 1.00 0.00 S ATOM 0 H CYS A 32 -1.227 2.637 -6.755 1.00 0.00 H new ATOM 0 HA CYS A 32 1.466 3.104 -5.594 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.247 0.682 -5.045 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.116 1.295 -4.129 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.138 1.753 -2.519 1.00 0.00 H new ATOM 164 N ILE A 33 0.355 0.942 -7.826 1.00 0.00 N ATOM 165 CA ILE A 33 0.757 0.157 -8.991 1.00 0.00 C ATOM 166 C ILE A 33 1.773 0.905 -9.855 1.00 0.00 C ATOM 167 O ILE A 33 2.630 0.280 -10.475 1.00 0.00 O ATOM 168 CB ILE A 33 -0.448 -0.272 -9.845 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.295 0.913 -10.346 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.299 -1.299 -9.090 1.00 0.00 C ATOM 171 CD1 ILE A 33 -2.115 0.537 -11.584 1.00 0.00 C ATOM 0 H ILE A 33 -0.655 0.988 -7.689 1.00 0.00 H new ATOM 0 HA ILE A 33 1.232 -0.744 -8.602 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.048 -0.742 -10.743 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.965 1.244 -9.552 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.642 1.753 -10.583 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.148 -1.593 -9.708 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.694 -2.177 -8.864 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.661 -0.859 -8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.700 1.398 -11.908 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.443 0.231 -12.386 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.786 -0.286 -11.339 1.00 0.00 H new ATOM 183 N SER A 34 1.689 2.240 -9.867 1.00 0.00 N ATOM 184 CA SER A 34 2.615 3.147 -10.512 1.00 0.00 C ATOM 185 C SER A 34 4.076 2.728 -10.339 1.00 0.00 C ATOM 186 O SER A 34 4.862 2.909 -11.266 1.00 0.00 O ATOM 187 CB SER A 34 2.367 4.540 -9.929 1.00 0.00 C ATOM 188 OG SER A 34 0.970 4.750 -9.803 1.00 0.00 O ATOM 0 H SER A 34 0.928 2.732 -9.399 1.00 0.00 H new ATOM 0 HA SER A 34 2.439 3.136 -11.588 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.850 4.632 -8.956 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.805 5.301 -10.575 1.00 0.00 H new ATOM 0 HG SER A 34 0.806 5.640 -9.428 1.00 0.00 H new ATOM 194 N CYS A 35 4.435 2.190 -9.164 1.00 0.00 N ATOM 195 CA CYS A 35 5.771 1.660 -8.911 1.00 0.00 C ATOM 196 C CYS A 35 5.706 0.175 -8.558 1.00 0.00 C ATOM 197 O CYS A 35 6.509 -0.612 -9.054 1.00 0.00 O ATOM 198 CB CYS A 35 6.502 2.471 -7.832 1.00 0.00 C ATOM 199 SG CYS A 35 6.202 4.245 -8.082 1.00 0.00 S ATOM 0 H CYS A 35 3.803 2.113 -8.367 1.00 0.00 H new ATOM 0 HA CYS A 35 6.352 1.757 -9.828 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.157 2.171 -6.843 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.572 2.265 -7.872 1.00 0.00 H new ATOM 0 HG CYS A 35 6.822 4.924 -7.163 1.00 0.00 H new ATOM 204 N HIS A 36 4.758 -0.231 -7.713 1.00 0.00 N ATOM 205 CA HIS A 36 4.674 -1.615 -7.262 1.00 0.00 C ATOM 206 C HIS A 36 4.224 -2.582 -8.369 1.00 0.00 C ATOM 207 O HIS A 36 4.429 -3.789 -8.240 1.00 0.00 O ATOM 208 CB HIS A 36 3.812 -1.676 -5.999 1.00 0.00 C ATOM 209 CG HIS A 36 4.492 -1.072 -4.793 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.397 -1.724 -3.981 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.331 0.203 -4.304 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.752 -0.857 -3.017 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.146 0.331 -3.173 1.00 0.00 N ATOM 0 H HIS A 36 4.038 0.381 -7.328 1.00 0.00 H new ATOM 0 HA HIS A 36 5.674 -1.966 -7.006 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.873 -1.153 -6.180 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.562 -2.715 -5.786 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.733 -2.681 -4.091 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.691 0.968 -4.718 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.439 -1.087 -2.216 1.00 0.00 H new ATOM 221 N GLY A 37 3.679 -2.074 -9.478 1.00 0.00 N ATOM 222 CA GLY A 37 3.228 -2.877 -10.607 1.00 0.00 C ATOM 223 C GLY A 37 1.780 -3.312 -10.404 1.00 0.00 C ATOM 224 O GLY A 37 1.327 -3.415 -9.267 1.00 0.00 O ATOM 0 H GLY A 37 3.538 -1.073 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.316 -2.302 -11.529 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.866 -3.754 -10.716 1.00 0.00 H new ATOM 228 N GLY A 38 1.052 -3.559 -11.500 1.00 0.00 N ATOM 229 CA GLY A 38 -0.377 -3.871 -11.511 1.00 0.00 C ATOM 230 C GLY A 38 -0.797 -4.854 -10.416 1.00 0.00 C ATOM 231 O GLY A 38 -1.668 -4.554 -9.601 1.00 0.00 O ATOM 0 H GLY A 38 1.459 -3.546 -12.435 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.943 -2.947 -11.395 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.642 -4.287 -12.483 1.00 0.00 H new ATOM 235 N ASP A 39 -0.162 -6.027 -10.389 1.00 0.00 N ATOM 236 CA ASP A 39 -0.495 -7.092 -9.446 1.00 0.00 C ATOM 237 C ASP A 39 0.150 -6.870 -8.072 1.00 0.00 C ATOM 238 O ASP A 39 -0.020 -7.695 -7.176 1.00 0.00 O ATOM 239 CB ASP A 39 -0.060 -8.443 -10.030 1.00 0.00 C ATOM 240 CG ASP A 39 -0.747 -8.778 -11.345 1.00 0.00 C ATOM 241 OD1 ASP A 39 -1.987 -8.646 -11.396 1.00 0.00 O ATOM 242 OD2 ASP A 39 -0.006 -9.154 -12.279 1.00 0.00 O ATOM 0 H ASP A 39 0.600 -6.264 -11.024 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.574 -7.084 -9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.019 -8.434 -10.183 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.273 -9.230 -9.306 1.00 0.00 H new ATOM 247 N LEU A 40 0.913 -5.783 -7.899 1.00 0.00 N ATOM 248 CA LEU A 40 1.600 -5.414 -6.663 1.00 0.00 C ATOM 249 C LEU A 40 2.675 -6.444 -6.304 1.00 0.00 C ATOM 250 O LEU A 40 3.090 -6.574 -5.147 1.00 0.00 O ATOM 251 CB LEU A 40 0.574 -5.121 -5.558 1.00 0.00 C ATOM 252 CG LEU A 40 -0.378 -4.002 -6.027 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.798 -4.199 -5.488 1.00 0.00 C ATOM 254 CD2 LEU A 40 0.198 -2.650 -5.621 1.00 0.00 C ATOM 0 H LEU A 40 1.073 -5.111 -8.650 1.00 0.00 H new ATOM 0 HA LEU A 40 2.152 -4.484 -6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.007 -6.022 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.084 -4.820 -4.643 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.458 -4.040 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.437 -3.390 -5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.192 -5.152 -5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.777 -4.195 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.472 -1.856 -5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.303 -2.610 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.175 -2.517 -6.085 1.00 0.00 H new ATOM 266 N THR A 41 3.159 -7.116 -7.352 1.00 0.00 N ATOM 267 CA THR A 41 4.193 -8.126 -7.384 1.00 0.00 C ATOM 268 C THR A 41 5.589 -7.497 -7.378 1.00 0.00 C ATOM 269 O THR A 41 6.570 -8.218 -7.221 1.00 0.00 O ATOM 270 CB THR A 41 3.963 -8.932 -8.670 1.00 0.00 C ATOM 271 OG1 THR A 41 3.584 -8.033 -9.702 1.00 0.00 O ATOM 272 CG2 THR A 41 2.829 -9.943 -8.468 1.00 0.00 C ATOM 0 H THR A 41 2.792 -6.940 -8.287 1.00 0.00 H new ATOM 0 HA THR A 41 4.142 -8.762 -6.500 1.00 0.00 H new ATOM 0 HB THR A 41 4.878 -9.464 -8.929 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.435 -8.532 -10.532 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.677 -10.508 -9.388 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.091 -10.628 -7.661 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.911 -9.414 -8.211 1.00 0.00 H new ATOM 280 N GLY A 42 5.688 -6.171 -7.516 1.00 0.00 N ATOM 281 CA GLY A 42 6.909 -5.437 -7.254 1.00 0.00 C ATOM 282 C GLY A 42 7.697 -5.155 -8.529 1.00 0.00 C ATOM 283 O GLY A 42 8.671 -5.844 -8.819 1.00 0.00 O ATOM 0 H GLY A 42 4.911 -5.581 -7.815 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.666 -4.495 -6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.531 -6.005 -6.563 1.00 0.00 H new ATOM 287 N ALA A 43 7.277 -4.139 -9.288 1.00 0.00 N ATOM 288 CA ALA A 43 7.977 -3.716 -10.499 1.00 0.00 C ATOM 289 C ALA A 43 9.172 -2.808 -10.163 1.00 0.00 C ATOM 290 O ALA A 43 10.309 -3.270 -10.111 1.00 0.00 O ATOM 291 CB ALA A 43 6.980 -3.075 -11.471 1.00 0.00 C ATOM 0 H ALA A 43 6.444 -3.589 -9.079 1.00 0.00 H new ATOM 0 HA ALA A 43 8.403 -4.586 -10.999 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.503 -2.760 -12.374 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.209 -3.800 -11.733 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.517 -2.208 -10.999 1.00 0.00 H new ATOM 297 N SER A 44 8.922 -1.516 -9.935 1.00 0.00 N ATOM 298 CA SER A 44 9.917 -0.510 -9.556 1.00 0.00 C ATOM 299 C SER A 44 10.046 -0.374 -8.034 1.00 0.00 C ATOM 300 O SER A 44 10.772 0.491 -7.548 1.00 0.00 O ATOM 301 CB SER A 44 9.548 0.844 -10.174 1.00 0.00 C ATOM 302 OG SER A 44 9.713 0.804 -11.579 1.00 0.00 O ATOM 0 H SER A 44 7.982 -1.127 -10.013 1.00 0.00 H new ATOM 0 HA SER A 44 10.883 -0.839 -9.938 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.516 1.094 -9.929 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.175 1.628 -9.750 1.00 0.00 H new ATOM 0 HG SER A 44 9.473 1.674 -11.961 1.00 0.00 H new ATOM 308 N ALA A 45 9.302 -1.180 -7.281 1.00 0.00 N ATOM 309 CA ALA A 45 9.256 -1.208 -5.831 1.00 0.00 C ATOM 310 C ALA A 45 9.104 -2.685 -5.465 1.00 0.00 C ATOM 311 O ALA A 45 8.752 -3.465 -6.348 1.00 0.00 O ATOM 312 CB ALA A 45 8.059 -0.362 -5.401 1.00 0.00 C ATOM 0 H ALA A 45 8.679 -1.872 -7.698 1.00 0.00 H new ATOM 0 HA ALA A 45 10.138 -0.801 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.989 -0.357 -4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.187 0.659 -5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.146 -0.783 -5.822 1.00 0.00 H new ATOM 318 N PRO A 46 9.384 -3.112 -4.226 1.00 0.00 N ATOM 319 CA PRO A 46 9.254 -4.509 -3.849 1.00 0.00 C ATOM 320 C PRO A 46 7.795 -4.964 -3.917 1.00 0.00 C ATOM 321 O PRO A 46 6.868 -4.150 -3.974 1.00 0.00 O ATOM 322 CB PRO A 46 9.825 -4.612 -2.430 1.00 0.00 C ATOM 323 CG PRO A 46 9.631 -3.201 -1.880 1.00 0.00 C ATOM 324 CD PRO A 46 9.862 -2.324 -3.110 1.00 0.00 C ATOM 0 HA PRO A 46 9.794 -5.165 -4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.294 -5.354 -1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.876 -4.902 -2.438 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.632 -3.062 -1.466 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.341 -2.976 -1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.319 -1.382 -3.031 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.917 -2.076 -3.225 1.00 0.00 H new ATOM 332 N ALA A 47 7.610 -6.287 -3.914 1.00 0.00 N ATOM 333 CA ALA A 47 6.302 -6.912 -3.905 1.00 0.00 C ATOM 334 C ALA A 47 5.599 -6.536 -2.611 1.00 0.00 C ATOM 335 O ALA A 47 6.129 -6.813 -1.535 1.00 0.00 O ATOM 336 CB ALA A 47 6.450 -8.434 -3.998 1.00 0.00 C ATOM 0 H ALA A 47 8.380 -6.955 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 47 5.718 -6.569 -4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.463 -8.897 -3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.966 -8.694 -4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.027 -8.796 -3.147 1.00 0.00 H new ATOM 342 N ILE A 48 4.423 -5.912 -2.706 1.00 0.00 N ATOM 343 CA ILE A 48 3.622 -5.607 -1.530 1.00 0.00 C ATOM 344 C ILE A 48 2.285 -6.341 -1.547 1.00 0.00 C ATOM 345 O ILE A 48 1.556 -6.250 -0.570 1.00 0.00 O ATOM 346 CB ILE A 48 3.590 -4.101 -1.182 1.00 0.00 C ATOM 347 CG1 ILE A 48 2.952 -3.169 -2.214 1.00 0.00 C ATOM 348 CG2 ILE A 48 5.023 -3.615 -0.930 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.426 -3.135 -2.098 1.00 0.00 C ATOM 0 H ILE A 48 4.008 -5.610 -3.588 1.00 0.00 H new ATOM 0 HA ILE A 48 4.130 -6.022 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 48 2.947 -4.044 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.347 -2.161 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.231 -3.494 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.009 -2.553 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.456 -4.174 -0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.623 -3.772 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.019 -2.460 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.027 -4.137 -2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.144 -2.784 -1.105 1.00 0.00 H new ATOM 361 N ASP A 49 1.984 -7.166 -2.557 1.00 0.00 N ATOM 362 CA ASP A 49 0.831 -8.065 -2.475 1.00 0.00 C ATOM 363 C ASP A 49 0.804 -8.867 -1.154 1.00 0.00 C ATOM 364 O ASP A 49 -0.264 -9.093 -0.597 1.00 0.00 O ATOM 365 CB ASP A 49 0.725 -8.959 -3.725 1.00 0.00 C ATOM 366 CG ASP A 49 1.357 -10.329 -3.540 1.00 0.00 C ATOM 367 OD1 ASP A 49 2.575 -10.368 -3.274 1.00 0.00 O ATOM 368 OD2 ASP A 49 0.599 -11.326 -3.614 1.00 0.00 O ATOM 0 H ASP A 49 2.514 -7.229 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.065 -7.445 -2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.326 -9.084 -3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.204 -8.456 -4.565 1.00 0.00 H new ATOM 373 N LYS A 50 1.973 -9.257 -0.625 1.00 0.00 N ATOM 374 CA LYS A 50 2.128 -9.979 0.643 1.00 0.00 C ATOM 375 C LYS A 50 2.510 -9.052 1.795 1.00 0.00 C ATOM 376 O LYS A 50 2.798 -9.526 2.896 1.00 0.00 O ATOM 377 CB LYS A 50 3.113 -11.160 0.518 1.00 0.00 C ATOM 378 CG LYS A 50 2.376 -12.492 0.335 1.00 0.00 C ATOM 379 CD LYS A 50 1.714 -12.497 -1.038 1.00 0.00 C ATOM 380 CE LYS A 50 0.898 -13.755 -1.320 1.00 0.00 C ATOM 381 NZ LYS A 50 0.506 -13.762 -2.742 1.00 0.00 N ATOM 0 H LYS A 50 2.865 -9.072 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 50 1.150 -10.396 0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.778 -10.992 -0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.738 -11.209 1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.073 -13.325 0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.627 -12.620 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.064 -11.626 -1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.483 -12.394 -1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.483 -14.644 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.013 -13.780 -0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.515 -13.941 -2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.729 -12.840 -3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.028 -14.510 -3.242 1.00 0.00 H new ATOM 395 N ALA A 51 2.574 -7.740 1.577 1.00 0.00 N ATOM 396 CA ALA A 51 2.884 -6.814 2.652 1.00 0.00 C ATOM 397 C ALA A 51 1.948 -7.017 3.842 1.00 0.00 C ATOM 398 O ALA A 51 2.404 -6.893 4.966 1.00 0.00 O ATOM 399 CB ALA A 51 2.888 -5.378 2.142 1.00 0.00 C ATOM 0 H ALA A 51 2.416 -7.301 0.670 1.00 0.00 H new ATOM 0 HA ALA A 51 3.891 -7.024 3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.122 -4.701 2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.639 -5.272 1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.906 -5.132 1.738 1.00 0.00 H new ATOM 405 N GLY A 52 0.684 -7.400 3.627 1.00 0.00 N ATOM 406 CA GLY A 52 -0.217 -7.773 4.712 1.00 0.00 C ATOM 407 C GLY A 52 0.226 -9.001 5.507 1.00 0.00 C ATOM 408 O GLY A 52 -0.100 -9.134 6.684 1.00 0.00 O ATOM 0 H GLY A 52 0.263 -7.458 2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.313 -6.929 5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.207 -7.962 4.297 1.00 0.00 H new ATOM 412 N ALA A 53 0.913 -9.943 4.856 1.00 0.00 N ATOM 413 CA ALA A 53 1.485 -11.098 5.533 1.00 0.00 C ATOM 414 C ALA A 53 2.753 -10.690 6.288 1.00 0.00 C ATOM 415 O ALA A 53 2.959 -11.107 7.424 1.00 0.00 O ATOM 416 CB ALA A 53 1.776 -12.211 4.522 1.00 0.00 C ATOM 0 H ALA A 53 1.085 -9.923 3.851 1.00 0.00 H new ATOM 0 HA ALA A 53 0.767 -11.480 6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.204 -13.070 5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.849 -12.508 4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.483 -11.849 3.775 1.00 0.00 H new ATOM 422 N ASN A 54 3.609 -9.888 5.647 1.00 0.00 N ATOM 423 CA ASN A 54 4.911 -9.516 6.203 1.00 0.00 C ATOM 424 C ASN A 54 4.768 -8.499 7.334 1.00 0.00 C ATOM 425 O ASN A 54 5.509 -8.549 8.312 1.00 0.00 O ATOM 426 CB ASN A 54 5.822 -8.918 5.123 1.00 0.00 C ATOM 427 CG ASN A 54 6.312 -9.951 4.115 1.00 0.00 C ATOM 428 OD1 ASN A 54 7.398 -10.502 4.255 1.00 0.00 O ATOM 429 ND2 ASN A 54 5.527 -10.221 3.078 1.00 0.00 N ATOM 0 H ASN A 54 3.419 -9.480 4.732 1.00 0.00 H new ATOM 0 HA ASN A 54 5.355 -10.431 6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.282 -8.132 4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.682 -8.449 5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.824 -10.900 2.377 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.627 -9.750 2.983 1.00 0.00 H new ATOM 436 N TYR A 55 3.857 -7.543 7.159 1.00 0.00 N ATOM 437 CA TYR A 55 3.687 -6.358 7.987 1.00 0.00 C ATOM 438 C TYR A 55 2.201 -6.232 8.336 1.00 0.00 C ATOM 439 O TYR A 55 1.351 -6.756 7.620 1.00 0.00 O ATOM 440 CB TYR A 55 4.167 -5.119 7.210 1.00 0.00 C ATOM 441 CG TYR A 55 5.482 -5.256 6.459 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.664 -5.577 7.152 1.00 0.00 C ATOM 443 CD2 TYR A 55 5.539 -4.993 5.077 1.00 0.00 C ATOM 444 CE1 TYR A 55 7.885 -5.663 6.460 1.00 0.00 C ATOM 445 CE2 TYR A 55 6.767 -5.048 4.391 1.00 0.00 C ATOM 446 CZ TYR A 55 7.944 -5.373 5.086 1.00 0.00 C ATOM 447 OH TYR A 55 9.144 -5.432 4.444 1.00 0.00 O ATOM 0 H TYR A 55 3.183 -7.580 6.394 1.00 0.00 H new ATOM 0 HA TYR A 55 4.273 -6.437 8.903 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.392 -4.844 6.494 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.260 -4.291 7.912 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.633 -5.757 8.216 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.635 -4.747 4.540 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.782 -5.953 6.987 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.804 -4.841 3.332 1.00 0.00 H new ATOM 0 HH TYR A 55 9.021 -5.206 3.498 1.00 0.00 H new ATOM 457 N SER A 56 1.870 -5.546 9.433 1.00 0.00 N ATOM 458 CA SER A 56 0.482 -5.344 9.839 1.00 0.00 C ATOM 459 C SER A 56 -0.054 -4.028 9.277 1.00 0.00 C ATOM 460 O SER A 56 0.725 -3.164 8.873 1.00 0.00 O ATOM 461 CB SER A 56 0.393 -5.403 11.367 1.00 0.00 C ATOM 462 OG SER A 56 0.736 -6.712 11.778 1.00 0.00 O ATOM 0 H SER A 56 2.553 -5.119 10.059 1.00 0.00 H new ATOM 0 HA SER A 56 -0.145 -6.137 9.432 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.068 -4.674 11.816 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.614 -5.152 11.699 1.00 0.00 H new ATOM 0 HG SER A 56 0.687 -6.771 12.755 1.00 0.00 H new ATOM 468 N GLU A 57 -1.385 -3.874 9.254 1.00 0.00 N ATOM 469 CA GLU A 57 -2.041 -2.678 8.745 1.00 0.00 C ATOM 470 C GLU A 57 -1.373 -1.412 9.301 1.00 0.00 C ATOM 471 O GLU A 57 -1.037 -0.529 8.525 1.00 0.00 O ATOM 472 CB GLU A 57 -3.561 -2.722 8.992 1.00 0.00 C ATOM 473 CG GLU A 57 -3.941 -3.259 10.381 1.00 0.00 C ATOM 474 CD GLU A 57 -5.277 -2.687 10.833 1.00 0.00 C ATOM 475 OE1 GLU A 57 -5.299 -1.465 11.088 1.00 0.00 O ATOM 476 OE2 GLU A 57 -6.242 -3.476 10.898 1.00 0.00 O ATOM 0 H GLU A 57 -2.034 -4.584 9.592 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.916 -2.646 7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.969 -1.718 8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.027 -3.346 8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.997 -4.347 10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.166 -2.998 11.102 1.00 0.00 H new ATOM 483 N GLU A 58 -1.108 -1.353 10.609 1.00 0.00 N ATOM 484 CA GLU A 58 -0.360 -0.281 11.261 1.00 0.00 C ATOM 485 C GLU A 58 0.921 0.106 10.498 1.00 0.00 C ATOM 486 O GLU A 58 1.085 1.257 10.095 1.00 0.00 O ATOM 487 CB GLU A 58 -0.095 -0.650 12.734 1.00 0.00 C ATOM 488 CG GLU A 58 0.375 -2.093 12.993 1.00 0.00 C ATOM 489 CD GLU A 58 0.607 -2.334 14.480 1.00 0.00 C ATOM 490 OE1 GLU A 58 1.598 -1.779 14.998 1.00 0.00 O ATOM 491 OE2 GLU A 58 -0.215 -3.068 15.068 1.00 0.00 O ATOM 0 H GLU A 58 -1.419 -2.073 11.261 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.973 0.620 11.244 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.657 0.033 13.129 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.010 -0.479 13.301 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.371 -2.795 12.619 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.296 -2.284 12.442 1.00 0.00 H new ATOM 498 N GLU A 59 1.819 -0.853 10.270 1.00 0.00 N ATOM 499 CA GLU A 59 3.089 -0.630 9.587 1.00 0.00 C ATOM 500 C GLU A 59 2.841 -0.049 8.194 1.00 0.00 C ATOM 501 O GLU A 59 3.434 0.952 7.788 1.00 0.00 O ATOM 502 CB GLU A 59 3.820 -1.974 9.456 1.00 0.00 C ATOM 503 CG GLU A 59 4.256 -2.572 10.801 1.00 0.00 C ATOM 504 CD GLU A 59 5.674 -2.145 11.157 1.00 0.00 C ATOM 505 OE1 GLU A 59 5.815 -1.065 11.765 1.00 0.00 O ATOM 506 OE2 GLU A 59 6.593 -2.905 10.781 1.00 0.00 O ATOM 0 H GLU A 59 1.680 -1.821 10.560 1.00 0.00 H new ATOM 0 HA GLU A 59 3.693 0.074 10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.168 -2.684 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.699 -1.840 8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.569 -2.252 11.584 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.201 -3.660 10.754 1.00 0.00 H new ATOM 513 N ILE A 60 1.962 -0.711 7.440 1.00 0.00 N ATOM 514 CA ILE A 60 1.705 -0.368 6.047 1.00 0.00 C ATOM 515 C ILE A 60 1.118 1.046 6.005 1.00 0.00 C ATOM 516 O ILE A 60 1.570 1.886 5.235 1.00 0.00 O ATOM 517 CB ILE A 60 0.785 -1.415 5.389 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.352 -2.835 5.557 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.577 -1.143 3.890 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.375 -3.915 5.098 1.00 0.00 C ATOM 0 H ILE A 60 1.411 -1.499 7.781 1.00 0.00 H new ATOM 0 HA ILE A 60 2.630 -0.378 5.470 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.176 -1.337 5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.278 -2.922 4.988 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.604 -3.000 6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.078 -1.906 3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.122 -0.161 3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.539 -1.168 3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.826 -4.897 5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.542 -3.849 5.684 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.142 -3.770 4.043 1.00 0.00 H new ATOM 532 N LEU A 61 0.130 1.310 6.862 1.00 0.00 N ATOM 533 CA LEU A 61 -0.503 2.603 7.055 1.00 0.00 C ATOM 534 C LEU A 61 0.551 3.669 7.264 1.00 0.00 C ATOM 535 O LEU A 61 0.577 4.662 6.534 1.00 0.00 O ATOM 536 CB LEU A 61 -1.441 2.540 8.267 1.00 0.00 C ATOM 537 CG LEU A 61 -2.228 3.831 8.529 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.079 4.225 7.323 1.00 0.00 C ATOM 539 CD2 LEU A 61 -3.136 3.642 9.748 1.00 0.00 C ATOM 0 H LEU A 61 -0.265 0.589 7.466 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.084 2.856 6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.147 1.722 8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.853 2.301 9.153 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.509 4.629 8.714 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.622 5.144 7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.434 4.385 6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.789 3.428 7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.694 4.560 9.932 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.833 2.826 9.559 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.528 3.406 10.621 1.00 0.00 H new ATOM 551 N ASP A 62 1.428 3.453 8.249 1.00 0.00 N ATOM 552 CA ASP A 62 2.494 4.404 8.510 1.00 0.00 C ATOM 553 C ASP A 62 3.279 4.609 7.220 1.00 0.00 C ATOM 554 O ASP A 62 3.442 5.740 6.775 1.00 0.00 O ATOM 555 CB ASP A 62 3.393 3.965 9.679 1.00 0.00 C ATOM 556 CG ASP A 62 3.296 4.923 10.865 1.00 0.00 C ATOM 557 OD1 ASP A 62 3.547 6.131 10.653 1.00 0.00 O ATOM 558 OD2 ASP A 62 2.964 4.441 11.968 1.00 0.00 O ATOM 0 H ASP A 62 1.416 2.640 8.865 1.00 0.00 H new ATOM 0 HA ASP A 62 2.063 5.355 8.824 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.109 2.962 9.998 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.428 3.910 9.340 1.00 0.00 H new ATOM 563 N ILE A 63 3.694 3.531 6.555 1.00 0.00 N ATOM 564 CA ILE A 63 4.507 3.651 5.346 1.00 0.00 C ATOM 565 C ILE A 63 3.783 4.474 4.274 1.00 0.00 C ATOM 566 O ILE A 63 4.385 5.332 3.638 1.00 0.00 O ATOM 567 CB ILE A 63 4.921 2.254 4.848 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.153 1.776 5.630 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.213 2.243 3.342 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.253 0.248 5.658 1.00 0.00 C ATOM 0 H ILE A 63 3.482 2.572 6.831 1.00 0.00 H new ATOM 0 HA ILE A 63 5.421 4.196 5.581 1.00 0.00 H new ATOM 0 HB ILE A 63 4.086 1.575 5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.054 2.191 5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.105 2.156 6.651 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.501 1.238 3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.320 2.547 2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.026 2.936 3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.138 -0.048 6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.364 -0.166 6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.328 -0.130 4.639 1.00 0.00 H new ATOM 582 N ILE A 64 2.491 4.245 4.069 1.00 0.00 N ATOM 583 CA ILE A 64 1.702 4.994 3.103 1.00 0.00 C ATOM 584 C ILE A 64 1.701 6.477 3.483 1.00 0.00 C ATOM 585 O ILE A 64 1.993 7.347 2.659 1.00 0.00 O ATOM 586 CB ILE A 64 0.288 4.399 3.058 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.358 2.969 2.504 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.647 5.249 2.192 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.801 2.133 3.037 1.00 0.00 C ATOM 0 H ILE A 64 1.961 3.532 4.571 1.00 0.00 H new ATOM 0 HA ILE A 64 2.132 4.919 2.104 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.115 4.387 4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.326 2.993 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.305 2.509 2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.640 4.801 2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.708 6.257 2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.258 5.296 1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.736 1.122 2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.751 2.094 4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.745 2.585 2.733 1.00 0.00 H new ATOM 601 N LEU A 65 1.372 6.759 4.743 1.00 0.00 N ATOM 602 CA LEU A 65 1.260 8.112 5.260 1.00 0.00 C ATOM 603 C LEU A 65 2.614 8.839 5.307 1.00 0.00 C ATOM 604 O LEU A 65 2.626 10.068 5.221 1.00 0.00 O ATOM 605 CB LEU A 65 0.642 8.062 6.662 1.00 0.00 C ATOM 606 CG LEU A 65 -0.814 7.562 6.745 1.00 0.00 C ATOM 607 CD1 LEU A 65 -1.171 7.362 8.221 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.785 8.566 6.138 1.00 0.00 C ATOM 0 H LEU A 65 1.174 6.040 5.439 1.00 0.00 H new ATOM 0 HA LEU A 65 0.621 8.678 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.262 7.419 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.686 9.063 7.092 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.895 6.630 6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.199 7.008 8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.498 6.627 8.662 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.071 8.309 8.751 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.802 8.181 6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.714 9.511 6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.535 8.726 5.089 1.00 0.00 H new ATOM 620 N ASN A 66 3.716 8.100 5.491 1.00 0.00 N ATOM 621 CA ASN A 66 5.067 8.607 5.750 1.00 0.00 C ATOM 622 C ASN A 66 5.932 8.542 4.496 1.00 0.00 C ATOM 623 O ASN A 66 6.465 9.558 4.062 1.00 0.00 O ATOM 624 CB ASN A 66 5.779 7.768 6.828 1.00 0.00 C ATOM 625 CG ASN A 66 5.333 8.073 8.253 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.077 8.662 9.032 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.133 7.633 8.602 1.00 0.00 N ATOM 0 H ASN A 66 3.686 7.081 5.461 1.00 0.00 H new ATOM 0 HA ASN A 66 4.948 9.639 6.081 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.606 6.712 6.623 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.853 7.935 6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.793 7.779 9.553 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.549 7.148 7.920 1.00 0.00 H new ATOM 634 N GLY A 67 6.119 7.329 3.968 1.00 0.00 N ATOM 635 CA GLY A 67 7.070 6.975 2.928 1.00 0.00 C ATOM 636 C GLY A 67 7.820 5.692 3.296 1.00 0.00 C ATOM 637 O GLY A 67 7.516 5.035 4.289 1.00 0.00 O ATOM 0 H GLY A 67 5.574 6.525 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.547 6.838 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.780 7.789 2.785 1.00 0.00 H new ATOM 641 N GLN A 68 8.813 5.365 2.472 1.00 0.00 N ATOM 642 CA GLN A 68 9.827 4.326 2.616 1.00 0.00 C ATOM 643 C GLN A 68 11.008 4.887 1.796 1.00 0.00 C ATOM 644 O GLN A 68 10.776 5.779 0.988 1.00 0.00 O ATOM 645 CB GLN A 68 9.314 2.969 2.064 1.00 0.00 C ATOM 646 CG GLN A 68 10.383 1.882 2.004 1.00 0.00 C ATOM 647 CD GLN A 68 11.076 1.550 3.312 1.00 0.00 C ATOM 648 OE1 GLN A 68 11.800 2.374 3.863 1.00 0.00 O ATOM 649 NE2 GLN A 68 10.908 0.322 3.787 1.00 0.00 N ATOM 0 H GLN A 68 8.939 5.875 1.597 1.00 0.00 H new ATOM 0 HA GLN A 68 10.100 4.115 3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.491 2.622 2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.911 3.124 1.063 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.924 0.971 1.619 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.141 2.187 1.283 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.298 -0.334 3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.389 0.034 4.639 1.00 0.00 H new ATOM 658 N GLY A 69 12.247 4.419 1.983 1.00 0.00 N ATOM 659 CA GLY A 69 13.455 4.954 1.338 1.00 0.00 C ATOM 660 C GLY A 69 13.243 5.565 -0.058 1.00 0.00 C ATOM 661 O GLY A 69 13.319 6.781 -0.216 1.00 0.00 O ATOM 0 H GLY A 69 12.444 3.635 2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.886 5.716 1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.189 4.152 1.257 1.00 0.00 H new ATOM 665 N GLY A 70 12.976 4.736 -1.074 1.00 0.00 N ATOM 666 CA GLY A 70 12.739 5.184 -2.446 1.00 0.00 C ATOM 667 C GLY A 70 11.259 5.424 -2.771 1.00 0.00 C ATOM 668 O GLY A 70 10.874 5.374 -3.939 1.00 0.00 O ATOM 0 H GLY A 70 12.918 3.724 -0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.294 6.106 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.137 4.439 -3.135 1.00 0.00 H new ATOM 672 N MET A 71 10.422 5.680 -1.761 1.00 0.00 N ATOM 673 CA MET A 71 8.988 5.915 -1.899 1.00 0.00 C ATOM 674 C MET A 71 8.656 7.332 -1.412 1.00 0.00 C ATOM 675 O MET A 71 9.080 7.699 -0.320 1.00 0.00 O ATOM 676 CB MET A 71 8.276 4.873 -1.040 1.00 0.00 C ATOM 677 CG MET A 71 6.752 4.932 -1.092 1.00 0.00 C ATOM 678 SD MET A 71 5.981 3.499 -0.301 1.00 0.00 S ATOM 679 CE MET A 71 4.423 4.257 0.229 1.00 0.00 C ATOM 0 H MET A 71 10.739 5.730 -0.793 1.00 0.00 H new ATOM 0 HA MET A 71 8.669 5.830 -2.938 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.598 3.881 -1.356 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.595 4.997 -0.005 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.409 5.843 -0.601 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.428 4.988 -2.131 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.805 3.509 0.725 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.632 5.072 0.921 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.893 4.646 -0.641 1.00 0.00 H new ATOM 689 N PRO A 72 7.886 8.132 -2.168 1.00 0.00 N ATOM 690 CA PRO A 72 7.665 9.537 -1.853 1.00 0.00 C ATOM 691 C PRO A 72 6.899 9.721 -0.546 1.00 0.00 C ATOM 692 O PRO A 72 7.220 10.607 0.242 1.00 0.00 O ATOM 693 CB PRO A 72 6.924 10.125 -3.059 1.00 0.00 C ATOM 694 CG PRO A 72 6.241 8.911 -3.688 1.00 0.00 C ATOM 695 CD PRO A 72 7.236 7.785 -3.418 1.00 0.00 C ATOM 0 HA PRO A 72 8.608 10.058 -1.687 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.199 10.880 -2.755 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.611 10.605 -3.756 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.271 8.711 -3.232 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.069 9.052 -4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.729 6.823 -3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.961 7.700 -4.227 1.00 0.00 H new ATOM 703 N GLY A 73 5.889 8.880 -0.317 1.00 0.00 N ATOM 704 CA GLY A 73 5.121 8.892 0.914 1.00 0.00 C ATOM 705 C GLY A 73 4.047 9.971 0.918 1.00 0.00 C ATOM 706 O GLY A 73 4.083 10.922 0.138 1.00 0.00 O ATOM 0 H GLY A 73 5.585 8.172 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.654 7.918 1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.794 9.050 1.757 1.00 0.00 H new ATOM 710 N GLY A 74 3.025 9.774 1.754 1.00 0.00 N ATOM 711 CA GLY A 74 1.855 10.638 1.780 1.00 0.00 C ATOM 712 C GLY A 74 1.080 10.577 0.464 1.00 0.00 C ATOM 713 O GLY A 74 0.247 11.440 0.197 1.00 0.00 O ATOM 0 H GLY A 74 2.990 9.010 2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.202 10.342 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.165 11.665 1.973 1.00 0.00 H new ATOM 717 N ILE A 75 1.324 9.535 -0.338 1.00 0.00 N ATOM 718 CA ILE A 75 0.651 9.294 -1.603 1.00 0.00 C ATOM 719 C ILE A 75 -0.850 9.178 -1.369 1.00 0.00 C ATOM 720 O ILE A 75 -1.637 9.633 -2.203 1.00 0.00 O ATOM 721 CB ILE A 75 1.239 8.027 -2.253 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.582 8.337 -2.934 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.289 7.358 -3.250 1.00 0.00 C ATOM 724 CD1 ILE A 75 2.453 9.030 -4.298 1.00 0.00 C ATOM 0 H ILE A 75 2.016 8.820 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 75 0.811 10.127 -2.288 1.00 0.00 H new ATOM 0 HB ILE A 75 1.394 7.317 -1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.174 8.970 -2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.134 7.406 -3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.767 6.473 -3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.629 7.067 -2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.052 8.057 -4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.446 9.212 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.890 8.391 -4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.931 9.979 -4.176 1.00 0.00 H new ATOM 736 N ALA A 76 -1.238 8.563 -0.249 1.00 0.00 N ATOM 737 CA ALA A 76 -2.616 8.457 0.177 1.00 0.00 C ATOM 738 C ALA A 76 -2.680 8.888 1.636 1.00 0.00 C ATOM 739 O ALA A 76 -1.704 8.667 2.356 1.00 0.00 O ATOM 740 CB ALA A 76 -3.096 7.014 -0.006 1.00 0.00 C ATOM 0 H ALA A 76 -0.581 8.119 0.393 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.268 9.097 -0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.135 6.933 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.018 6.735 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.478 6.346 0.594 1.00 0.00 H new ATOM 746 N LYS A 77 -3.775 9.522 2.073 1.00 0.00 N ATOM 747 CA LYS A 77 -3.909 9.984 3.444 1.00 0.00 C ATOM 748 C LYS A 77 -5.340 9.864 3.986 1.00 0.00 C ATOM 749 O LYS A 77 -6.313 9.848 3.237 1.00 0.00 O ATOM 750 CB LYS A 77 -3.343 11.406 3.576 1.00 0.00 C ATOM 751 CG LYS A 77 -1.802 11.421 3.601 1.00 0.00 C ATOM 752 CD LYS A 77 -1.218 12.763 4.075 1.00 0.00 C ATOM 753 CE LYS A 77 0.151 12.599 4.766 1.00 0.00 C ATOM 754 NZ LYS A 77 0.054 12.012 6.120 1.00 0.00 N ATOM 0 H LYS A 77 -4.583 9.724 1.484 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.318 9.321 4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.697 12.014 2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.724 11.863 4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.448 10.626 4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.426 11.201 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.113 13.432 3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.916 13.236 4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.789 11.967 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.636 13.573 4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.994 12.006 6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.598 12.579 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.303 11.037 6.051 1.00 0.00 H new ATOM 768 N GLY A 78 -5.454 9.755 5.315 1.00 0.00 N ATOM 769 CA GLY A 78 -6.722 9.566 6.004 1.00 0.00 C ATOM 770 C GLY A 78 -7.392 8.268 5.555 1.00 0.00 C ATOM 771 O GLY A 78 -6.705 7.271 5.316 1.00 0.00 O ATOM 0 H GLY A 78 -4.653 9.797 5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.556 9.542 7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.381 10.410 5.802 1.00 0.00 H new ATOM 775 N ALA A 79 -8.718 8.323 5.370 1.00 0.00 N ATOM 776 CA ALA A 79 -9.553 7.200 4.958 1.00 0.00 C ATOM 777 C ALA A 79 -8.930 6.428 3.798 1.00 0.00 C ATOM 778 O ALA A 79 -9.027 5.208 3.740 1.00 0.00 O ATOM 779 CB ALA A 79 -10.942 7.707 4.561 1.00 0.00 C ATOM 0 H ALA A 79 -9.251 9.181 5.509 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.637 6.517 5.803 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.563 6.865 4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.404 8.207 5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.850 8.411 3.734 1.00 0.00 H new ATOM 785 N GLU A 80 -8.290 7.150 2.879 1.00 0.00 N ATOM 786 CA GLU A 80 -7.549 6.591 1.767 1.00 0.00 C ATOM 787 C GLU A 80 -6.513 5.577 2.280 1.00 0.00 C ATOM 788 O GLU A 80 -6.569 4.394 1.944 1.00 0.00 O ATOM 789 CB GLU A 80 -6.901 7.776 1.042 1.00 0.00 C ATOM 790 CG GLU A 80 -6.572 7.555 -0.433 1.00 0.00 C ATOM 791 CD GLU A 80 -5.780 8.735 -0.976 1.00 0.00 C ATOM 792 OE1 GLU A 80 -5.469 9.655 -0.184 1.00 0.00 O ATOM 793 OE2 GLU A 80 -5.439 8.688 -2.177 1.00 0.00 O ATOM 0 H GLU A 80 -8.277 8.170 2.895 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.191 6.043 1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.568 8.634 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.981 8.038 1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.997 6.636 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.492 7.431 -1.004 1.00 0.00 H new ATOM 800 N ALA A 81 -5.568 6.030 3.112 1.00 0.00 N ATOM 801 CA ALA A 81 -4.484 5.199 3.598 1.00 0.00 C ATOM 802 C ALA A 81 -5.011 4.127 4.546 1.00 0.00 C ATOM 803 O ALA A 81 -4.520 3.003 4.519 1.00 0.00 O ATOM 804 CB ALA A 81 -3.442 6.080 4.280 1.00 0.00 C ATOM 0 H ALA A 81 -5.542 6.988 3.462 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.014 4.686 2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.625 5.459 4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.054 6.805 3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.902 6.606 5.116 1.00 0.00 H new ATOM 810 N GLU A 82 -6.007 4.457 5.373 1.00 0.00 N ATOM 811 CA GLU A 82 -6.653 3.488 6.251 1.00 0.00 C ATOM 812 C GLU A 82 -7.235 2.340 5.422 1.00 0.00 C ATOM 813 O GLU A 82 -6.946 1.169 5.669 1.00 0.00 O ATOM 814 CB GLU A 82 -7.740 4.193 7.070 1.00 0.00 C ATOM 815 CG GLU A 82 -7.126 5.174 8.078 1.00 0.00 C ATOM 816 CD GLU A 82 -8.201 6.027 8.737 1.00 0.00 C ATOM 817 OE1 GLU A 82 -8.513 7.089 8.155 1.00 0.00 O ATOM 818 OE2 GLU A 82 -8.700 5.596 9.797 1.00 0.00 O ATOM 0 H GLU A 82 -6.384 5.401 5.450 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.922 3.065 6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.413 4.729 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.339 3.452 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.578 4.621 8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.406 5.817 7.572 1.00 0.00 H new ATOM 825 N ALA A 83 -8.043 2.693 4.418 1.00 0.00 N ATOM 826 CA ALA A 83 -8.650 1.748 3.499 1.00 0.00 C ATOM 827 C ALA A 83 -7.567 0.874 2.874 1.00 0.00 C ATOM 828 O ALA A 83 -7.666 -0.352 2.954 1.00 0.00 O ATOM 829 CB ALA A 83 -9.477 2.491 2.445 1.00 0.00 C ATOM 0 H ALA A 83 -8.293 3.663 4.225 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.334 1.093 4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.927 1.771 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.263 3.065 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.830 3.167 1.885 1.00 0.00 H new ATOM 835 N VAL A 84 -6.525 1.496 2.297 1.00 0.00 N ATOM 836 CA VAL A 84 -5.373 0.750 1.806 1.00 0.00 C ATOM 837 C VAL A 84 -4.900 -0.233 2.871 1.00 0.00 C ATOM 838 O VAL A 84 -4.938 -1.429 2.635 1.00 0.00 O ATOM 839 CB VAL A 84 -4.202 1.653 1.380 1.00 0.00 C ATOM 840 CG1 VAL A 84 -2.970 0.789 1.086 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.489 2.458 0.114 1.00 0.00 C ATOM 0 H VAL A 84 -6.464 2.505 2.164 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.703 0.217 0.915 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.041 2.345 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.141 1.429 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.693 0.234 1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.200 0.089 0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.623 3.073 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.695 1.777 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.354 3.100 0.279 1.00 0.00 H new ATOM 851 N ALA A 85 -4.412 0.262 4.009 1.00 0.00 N ATOM 852 CA ALA A 85 -3.767 -0.534 5.043 1.00 0.00 C ATOM 853 C ALA A 85 -4.611 -1.747 5.421 1.00 0.00 C ATOM 854 O ALA A 85 -4.102 -2.864 5.432 1.00 0.00 O ATOM 855 CB ALA A 85 -3.508 0.350 6.256 1.00 0.00 C ATOM 0 H ALA A 85 -4.458 1.255 4.239 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.820 -0.914 4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.025 -0.237 7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.860 1.178 5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.454 0.742 6.629 1.00 0.00 H new ATOM 861 N ALA A 86 -5.898 -1.533 5.703 1.00 0.00 N ATOM 862 CA ALA A 86 -6.815 -2.618 6.025 1.00 0.00 C ATOM 863 C ALA A 86 -6.860 -3.640 4.886 1.00 0.00 C ATOM 864 O ALA A 86 -6.568 -4.820 5.081 1.00 0.00 O ATOM 865 CB ALA A 86 -8.205 -2.040 6.311 1.00 0.00 C ATOM 0 H ALA A 86 -6.327 -0.608 5.714 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.464 -3.138 6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.893 -2.850 6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.146 -1.351 7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.566 -1.507 5.431 1.00 0.00 H new ATOM 871 N TRP A 87 -7.199 -3.180 3.681 1.00 0.00 N ATOM 872 CA TRP A 87 -7.282 -4.022 2.493 1.00 0.00 C ATOM 873 C TRP A 87 -5.959 -4.755 2.227 1.00 0.00 C ATOM 874 O TRP A 87 -5.939 -5.887 1.751 1.00 0.00 O ATOM 875 CB TRP A 87 -7.672 -3.120 1.325 1.00 0.00 C ATOM 876 CG TRP A 87 -7.602 -3.723 -0.040 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.566 -4.422 -0.678 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.504 -3.629 -0.986 1.00 0.00 C ATOM 879 NE1 TRP A 87 -8.047 -4.965 -1.835 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.766 -4.511 -2.068 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.301 -2.900 -1.057 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.797 -4.732 -3.054 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.557 -2.908 -2.256 1.00 0.00 C ATOM 884 CH2 TRP A 87 -4.988 -3.649 -3.358 1.00 0.00 C ATOM 0 H TRP A 87 -7.426 -2.201 3.503 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.030 -4.802 2.633 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.691 -2.770 1.491 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.026 -2.242 1.343 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.584 -4.538 -0.336 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.546 -5.618 -2.440 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.951 -2.340 -0.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.687 -5.687 -3.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.644 -2.335 -2.322 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -4.712 -3.397 -4.371 1.00 0.00 H new ATOM 895 N LEU A 88 -4.838 -4.110 2.532 1.00 0.00 N ATOM 896 CA LEU A 88 -3.521 -4.670 2.315 1.00 0.00 C ATOM 897 C LEU A 88 -3.225 -5.740 3.363 1.00 0.00 C ATOM 898 O LEU A 88 -2.777 -6.829 3.024 1.00 0.00 O ATOM 899 CB LEU A 88 -2.461 -3.569 2.234 1.00 0.00 C ATOM 900 CG LEU A 88 -1.589 -3.709 0.982 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.684 -4.927 1.039 1.00 0.00 C ATOM 902 CD2 LEU A 88 -2.289 -3.607 -0.359 1.00 0.00 C ATOM 0 H LEU A 88 -4.825 -3.175 2.940 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.492 -5.171 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.949 -2.594 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.830 -3.606 3.122 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.979 -2.807 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.087 -4.980 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.023 -4.849 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.291 -5.828 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.559 -3.723 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.042 -4.392 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.770 -2.633 -0.445 1.00 0.00 H new ATOM 914 N ALA A 89 -3.545 -5.477 4.630 1.00 0.00 N ATOM 915 CA ALA A 89 -3.522 -6.494 5.673 1.00 0.00 C ATOM 916 C ALA A 89 -4.430 -7.670 5.312 1.00 0.00 C ATOM 917 O ALA A 89 -4.125 -8.807 5.653 1.00 0.00 O ATOM 918 CB ALA A 89 -3.901 -5.883 7.020 1.00 0.00 C ATOM 0 H ALA A 89 -3.827 -4.553 4.959 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.507 -6.883 5.756 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.879 -6.655 7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.191 -5.097 7.275 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.904 -5.460 6.959 1.00 0.00 H new ATOM 924 N GLU A 90 -5.529 -7.410 4.607 1.00 0.00 N ATOM 925 CA GLU A 90 -6.461 -8.428 4.144 1.00 0.00 C ATOM 926 C GLU A 90 -5.888 -9.239 2.956 1.00 0.00 C ATOM 927 O GLU A 90 -6.273 -10.385 2.740 1.00 0.00 O ATOM 928 CB GLU A 90 -7.766 -7.699 3.792 1.00 0.00 C ATOM 929 CG GLU A 90 -8.982 -8.620 3.633 1.00 0.00 C ATOM 930 CD GLU A 90 -10.029 -7.972 2.736 1.00 0.00 C ATOM 931 OE1 GLU A 90 -9.911 -8.162 1.506 1.00 0.00 O ATOM 932 OE2 GLU A 90 -10.909 -7.281 3.291 1.00 0.00 O ATOM 0 H GLU A 90 -5.800 -6.464 4.337 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.645 -9.171 4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.980 -6.966 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.620 -7.146 2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.670 -9.574 3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.414 -8.833 4.611 1.00 0.00 H new ATOM 939 N LYS A 91 -4.928 -8.680 2.208 1.00 0.00 N ATOM 940 CA LYS A 91 -4.454 -9.117 0.883 1.00 0.00 C ATOM 941 C LYS A 91 -3.774 -10.506 0.839 1.00 0.00 C ATOM 942 O LYS A 91 -3.123 -10.858 -0.145 1.00 0.00 O ATOM 943 CB LYS A 91 -3.473 -8.047 0.362 1.00 0.00 C ATOM 944 CG LYS A 91 -3.543 -7.574 -1.093 1.00 0.00 C ATOM 945 CD LYS A 91 -3.227 -8.620 -2.162 1.00 0.00 C ATOM 946 CE LYS A 91 -4.467 -9.470 -2.436 1.00 0.00 C ATOM 947 NZ LYS A 91 -4.267 -10.351 -3.602 1.00 0.00 N ATOM 0 H LYS A 91 -4.426 -7.854 2.532 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.340 -9.226 0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.592 -7.166 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.465 -8.425 0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.545 -7.187 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.851 -6.740 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.901 -8.129 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.405 -9.255 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.698 -10.073 -1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.324 -8.820 -2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.126 -10.915 -3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.070 -9.773 -4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.464 -10.987 -3.423 1.00 0.00 H new ATOM 961 N LYS A 92 -3.739 -11.226 1.946 1.00 0.00 N ATOM 962 CA LYS A 92 -2.465 -11.714 2.433 1.00 0.00 C ATOM 963 C LYS A 92 -2.335 -13.238 2.378 1.00 0.00 C ATOM 964 O LYS A 92 -3.343 -13.917 2.670 1.00 0.00 O ATOM 965 CB LYS A 92 -2.301 -11.092 3.807 1.00 0.00 C ATOM 966 CG LYS A 92 -3.272 -11.624 4.876 1.00 0.00 C ATOM 967 CD LYS A 92 -2.728 -11.354 6.285 1.00 0.00 C ATOM 968 CE LYS A 92 -3.844 -11.511 7.327 1.00 0.00 C ATOM 969 NZ LYS A 92 -3.306 -11.558 8.701 1.00 0.00 N ATOM 970 OXT LYS A 92 -1.218 -13.695 2.046 1.00 0.00 O ATOM 0 H LYS A 92 -4.551 -11.479 2.509 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.638 -11.414 1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.280 -11.261 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.433 -10.014 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.246 -11.148 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.422 -12.695 4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.915 -12.045 6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.313 -10.347 6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.544 -10.680 7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.405 -12.423 7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.089 -11.665 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.657 -12.366 8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.792 -10.677 8.903 1.00 0.00 H new