USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 454 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 59 GLN : amide:sc= 0.62 K(o=1.2,f=0.41) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0.555 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0851 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= 0.721 K(o=0.72,f=-2.3!) USER MOD Single : A 4 MET CE :methyl -175:sc= 0 (180deg=-0.0428) USER MOD Single : A 5 SER OG : rot 180:sc=0.000884 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.18) USER MOD Single : A 20 CYS SG : rot 38:sc= 0.707 USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= 1.13 (180deg=0.642) USER MOD Single : A 25 CYS SG : rot -120:sc= 0.0815 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 81:sc= 1.26 USER MOD Single : A 31 MET CE :methyl 172:sc= 0 (180deg=-0.0926) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot -172:sc= 1.32 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 170:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0.831 K(o=0.83,f=-0.078) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 90:sc= 0.279 USER MOD Single : A 48 HIS : no HE2:sc=-0.00275 X(o=-0.0028,f=-0.44) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.463 4.655 1.783 1.00 0.00 N ATOM 2 CA GLY A 1 14.810 4.181 0.536 1.00 0.00 C ATOM 3 C GLY A 1 13.821 5.200 -0.039 1.00 0.00 C ATOM 4 O GLY A 1 13.522 6.200 0.628 1.00 0.00 O ATOM 0 H1 GLY A 1 16.490 4.726 1.632 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.085 5.589 2.039 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.272 3.982 2.552 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.575 3.963 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.286 3.247 0.738 1.00 0.00 H new ATOM 10 N PRO A 2 13.308 4.969 -1.265 1.00 0.00 N ATOM 11 CA PRO A 2 12.387 5.875 -1.952 1.00 0.00 C ATOM 12 C PRO A 2 11.018 5.920 -1.257 1.00 0.00 C ATOM 13 O PRO A 2 10.560 4.930 -0.687 1.00 0.00 O ATOM 14 CB PRO A 2 12.285 5.354 -3.389 1.00 0.00 C ATOM 15 CG PRO A 2 12.549 3.856 -3.235 1.00 0.00 C ATOM 16 CD PRO A 2 13.577 3.804 -2.104 1.00 0.00 C ATOM 0 HA PRO A 2 12.750 6.903 -1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.302 5.548 -3.819 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.018 5.827 -4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.641 3.310 -2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.937 3.418 -4.154 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.482 2.881 -1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.593 3.832 -2.498 1.00 0.00 H new ATOM 24 N HIS A 3 10.361 7.082 -1.322 1.00 0.00 N ATOM 25 CA HIS A 3 9.104 7.392 -0.626 1.00 0.00 C ATOM 26 C HIS A 3 8.459 8.688 -1.170 1.00 0.00 C ATOM 27 O HIS A 3 9.098 9.457 -1.897 1.00 0.00 O ATOM 28 CB HIS A 3 9.362 7.480 0.893 1.00 0.00 C ATOM 29 CG HIS A 3 10.355 8.549 1.294 1.00 0.00 C ATOM 30 ND1 HIS A 3 11.725 8.407 1.366 1.00 0.00 N ATOM 31 CD2 HIS A 3 10.065 9.833 1.675 1.00 0.00 C ATOM 32 CE1 HIS A 3 12.245 9.578 1.769 1.00 0.00 C ATOM 33 NE2 HIS A 3 11.269 10.487 1.974 1.00 0.00 N ATOM 0 H HIS A 3 10.701 7.864 -1.882 1.00 0.00 H new ATOM 0 HA HIS A 3 8.392 6.588 -0.813 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.416 7.670 1.400 1.00 0.00 H new ATOM 0 HB3 HIS A 3 9.724 6.514 1.245 1.00 0.00 H new ATOM 0 HD1 HIS A 3 12.251 7.560 1.151 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.078 10.267 1.735 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.299 9.766 1.910 1.00 0.00 H new ATOM 41 N MET A 4 7.192 8.938 -0.809 1.00 0.00 N ATOM 42 CA MET A 4 6.411 10.121 -1.215 1.00 0.00 C ATOM 43 C MET A 4 5.569 10.672 -0.052 1.00 0.00 C ATOM 44 O MET A 4 5.163 9.934 0.846 1.00 0.00 O ATOM 45 CB MET A 4 5.478 9.771 -2.388 1.00 0.00 C ATOM 46 CG MET A 4 6.222 9.315 -3.648 1.00 0.00 C ATOM 47 SD MET A 4 5.187 9.144 -5.129 1.00 0.00 S ATOM 48 CE MET A 4 4.135 7.756 -4.632 1.00 0.00 C ATOM 0 H MET A 4 6.664 8.305 -0.208 1.00 0.00 H new ATOM 0 HA MET A 4 7.123 10.887 -1.522 1.00 0.00 H new ATOM 0 HB2 MET A 4 4.794 8.982 -2.075 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.870 10.643 -2.630 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.018 10.028 -3.860 1.00 0.00 H new ATOM 0 HG3 MET A 4 6.699 8.356 -3.443 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.498 7.465 -5.467 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.760 6.912 -4.341 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.513 8.055 -3.788 1.00 0.00 H new ATOM 58 N SER A 5 5.241 11.964 -0.108 1.00 0.00 N ATOM 59 CA SER A 5 4.295 12.618 0.818 1.00 0.00 C ATOM 60 C SER A 5 2.822 12.247 0.546 1.00 0.00 C ATOM 61 O SER A 5 1.953 12.484 1.389 1.00 0.00 O ATOM 62 CB SER A 5 4.491 14.142 0.746 1.00 0.00 C ATOM 63 OG SER A 5 4.390 14.622 -0.591 1.00 0.00 O ATOM 0 H SER A 5 5.627 12.601 -0.805 1.00 0.00 H new ATOM 0 HA SER A 5 4.515 12.255 1.822 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.743 14.635 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.467 14.403 1.154 1.00 0.00 H new ATOM 0 HG SER A 5 4.518 15.594 -0.600 1.00 0.00 H new ATOM 69 N TYR A 6 2.527 11.625 -0.603 1.00 0.00 N ATOM 70 CA TYR A 6 1.182 11.195 -1.006 1.00 0.00 C ATOM 71 C TYR A 6 0.480 10.315 0.044 1.00 0.00 C ATOM 72 O TYR A 6 -0.715 10.484 0.276 1.00 0.00 O ATOM 73 CB TYR A 6 1.277 10.461 -2.351 1.00 0.00 C ATOM 74 CG TYR A 6 -0.065 9.994 -2.884 1.00 0.00 C ATOM 75 CD1 TYR A 6 -0.922 10.908 -3.524 1.00 0.00 C ATOM 76 CD2 TYR A 6 -0.472 8.658 -2.702 1.00 0.00 C ATOM 77 CE1 TYR A 6 -2.185 10.491 -3.991 1.00 0.00 C ATOM 78 CE2 TYR A 6 -1.730 8.232 -3.169 1.00 0.00 C ATOM 79 CZ TYR A 6 -2.591 9.148 -3.815 1.00 0.00 C ATOM 80 OH TYR A 6 -3.809 8.734 -4.268 1.00 0.00 O ATOM 0 H TYR A 6 3.239 11.401 -1.298 1.00 0.00 H new ATOM 0 HA TYR A 6 0.566 12.089 -1.101 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.740 11.122 -3.084 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.934 9.599 -2.239 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.611 11.933 -3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.182 7.959 -2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.841 11.195 -4.482 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.037 7.205 -3.034 1.00 0.00 H new ATOM 0 HH TYR A 6 -3.927 7.782 -4.066 1.00 0.00 H new ATOM 90 N ASP A 7 1.222 9.434 0.723 1.00 0.00 N ATOM 91 CA ASP A 7 0.711 8.533 1.765 1.00 0.00 C ATOM 92 C ASP A 7 0.118 9.275 2.981 1.00 0.00 C ATOM 93 O ASP A 7 -0.803 8.768 3.626 1.00 0.00 O ATOM 94 CB ASP A 7 1.848 7.596 2.192 1.00 0.00 C ATOM 95 CG ASP A 7 1.384 6.529 3.199 1.00 0.00 C ATOM 96 OD1 ASP A 7 0.640 5.602 2.791 1.00 0.00 O ATOM 97 OD2 ASP A 7 1.791 6.599 4.384 1.00 0.00 O ATOM 0 H ASP A 7 2.223 9.324 0.559 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.118 7.964 1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.260 7.105 1.311 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.652 8.184 2.635 1.00 0.00 H new ATOM 102 N ALA A 8 0.597 10.493 3.262 1.00 0.00 N ATOM 103 CA ALA A 8 0.012 11.404 4.248 1.00 0.00 C ATOM 104 C ALA A 8 -1.067 12.307 3.624 1.00 0.00 C ATOM 105 O ALA A 8 -2.092 12.569 4.253 1.00 0.00 O ATOM 106 CB ALA A 8 1.147 12.234 4.869 1.00 0.00 C ATOM 0 H ALA A 8 1.420 10.879 2.799 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.490 10.825 5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.733 12.921 5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.862 11.568 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.652 12.802 4.088 1.00 0.00 H new ATOM 112 N ASN A 9 -0.850 12.784 2.391 1.00 0.00 N ATOM 113 CA ASN A 9 -1.742 13.736 1.718 1.00 0.00 C ATOM 114 C ASN A 9 -3.075 13.115 1.239 1.00 0.00 C ATOM 115 O ASN A 9 -4.094 13.808 1.222 1.00 0.00 O ATOM 116 CB ASN A 9 -0.975 14.365 0.541 1.00 0.00 C ATOM 117 CG ASN A 9 -1.756 15.504 -0.106 1.00 0.00 C ATOM 118 OD1 ASN A 9 -1.921 16.574 0.470 1.00 0.00 O ATOM 119 ND2 ASN A 9 -2.265 15.311 -1.314 1.00 0.00 N ATOM 0 H ASN A 9 -0.043 12.517 1.828 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.030 14.494 2.446 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.014 14.739 0.893 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -0.765 13.599 -0.206 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -2.796 16.054 -1.768 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.126 14.420 -1.790 1.00 0.00 H new ATOM 126 N VAL A 10 -3.085 11.832 0.853 1.00 0.00 N ATOM 127 CA VAL A 10 -4.280 11.120 0.364 1.00 0.00 C ATOM 128 C VAL A 10 -5.368 11.042 1.448 1.00 0.00 C ATOM 129 O VAL A 10 -5.086 10.712 2.602 1.00 0.00 O ATOM 130 CB VAL A 10 -3.925 9.726 -0.208 1.00 0.00 C ATOM 131 CG1 VAL A 10 -3.458 8.707 0.844 1.00 0.00 C ATOM 132 CG2 VAL A 10 -5.098 9.134 -1.008 1.00 0.00 C ATOM 0 H VAL A 10 -2.250 11.247 0.871 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.691 11.700 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.076 9.908 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.231 7.759 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.564 9.082 1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.248 8.556 1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.816 8.155 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.966 9.030 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.343 9.796 -1.838 1.00 0.00 H new ATOM 142 N ILE A 11 -6.608 11.369 1.072 1.00 0.00 N ATOM 143 CA ILE A 11 -7.761 11.549 1.977 1.00 0.00 C ATOM 144 C ILE A 11 -9.072 11.123 1.292 1.00 0.00 C ATOM 145 O ILE A 11 -9.184 11.193 0.063 1.00 0.00 O ATOM 146 CB ILE A 11 -7.787 13.032 2.467 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.874 13.158 4.002 1.00 0.00 C ATOM 148 CG2 ILE A 11 -8.901 13.897 1.845 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.632 12.621 4.718 1.00 0.00 C ATOM 0 H ILE A 11 -6.852 11.523 0.094 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.658 10.903 2.849 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.829 13.417 2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.015 14.206 4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.752 12.618 4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.841 14.910 2.244 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.778 13.926 0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.873 13.468 2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.754 12.738 5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.503 11.565 4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.754 13.177 4.390 1.00 0.00 H new ATOM 161 N ASP A 12 -10.072 10.711 2.075 1.00 0.00 N ATOM 162 CA ASP A 12 -11.429 10.500 1.561 1.00 0.00 C ATOM 163 C ASP A 12 -12.202 11.825 1.588 1.00 0.00 C ATOM 164 O ASP A 12 -12.525 12.360 2.660 1.00 0.00 O ATOM 165 CB ASP A 12 -12.187 9.437 2.358 1.00 0.00 C ATOM 166 CG ASP A 12 -13.333 8.870 1.531 1.00 0.00 C ATOM 167 OD1 ASP A 12 -13.128 7.889 0.780 1.00 0.00 O ATOM 168 OD2 ASP A 12 -14.451 9.412 1.679 1.00 0.00 O ATOM 0 H ASP A 12 -9.968 10.516 3.071 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.344 10.140 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.507 8.636 2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.575 9.872 3.279 1.00 0.00 H new ATOM 173 N ASP A 13 -12.525 12.344 0.406 1.00 0.00 N ATOM 174 CA ASP A 13 -13.285 13.582 0.272 1.00 0.00 C ATOM 175 C ASP A 13 -14.682 13.461 0.898 1.00 0.00 C ATOM 176 O ASP A 13 -15.134 14.416 1.523 1.00 0.00 O ATOM 177 CB ASP A 13 -13.335 14.031 -1.200 1.00 0.00 C ATOM 178 CG ASP A 13 -14.223 13.150 -2.096 1.00 0.00 C ATOM 179 OD1 ASP A 13 -13.863 11.973 -2.341 1.00 0.00 O ATOM 180 OD2 ASP A 13 -15.258 13.658 -2.588 1.00 0.00 O ATOM 0 H ASP A 13 -12.267 11.918 -0.484 1.00 0.00 H new ATOM 0 HA ASP A 13 -12.768 14.362 0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.699 15.058 -1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.322 14.035 -1.602 1.00 0.00 H new ATOM 185 N GLU A 14 -15.324 12.287 0.837 1.00 0.00 N ATOM 186 CA GLU A 14 -16.631 12.067 1.459 1.00 0.00 C ATOM 187 C GLU A 14 -16.563 12.018 2.985 1.00 0.00 C ATOM 188 O GLU A 14 -17.427 12.595 3.646 1.00 0.00 O ATOM 189 CB GLU A 14 -17.359 10.850 0.861 1.00 0.00 C ATOM 190 CG GLU A 14 -17.854 11.076 -0.573 1.00 0.00 C ATOM 191 CD GLU A 14 -19.034 12.061 -0.637 1.00 0.00 C ATOM 192 OE1 GLU A 14 -20.164 11.678 -0.246 1.00 0.00 O ATOM 193 OE2 GLU A 14 -18.847 13.213 -1.096 1.00 0.00 O ATOM 0 H GLU A 14 -14.952 11.468 0.357 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.235 12.942 1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -16.687 9.992 0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.209 10.598 1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -17.034 11.456 -1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.157 10.122 -1.005 1.00 0.00 H new ATOM 200 N ALA A 15 -15.511 11.434 3.569 1.00 0.00 N ATOM 201 CA ALA A 15 -15.297 11.514 5.013 1.00 0.00 C ATOM 202 C ALA A 15 -15.016 12.958 5.453 1.00 0.00 C ATOM 203 O ALA A 15 -15.676 13.450 6.365 1.00 0.00 O ATOM 204 CB ALA A 15 -14.162 10.567 5.416 1.00 0.00 C ATOM 0 H ALA A 15 -14.800 10.904 3.065 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.207 11.201 5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.003 10.627 6.493 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.427 9.545 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.247 10.854 4.898 1.00 0.00 H new ATOM 210 N VAL A 16 -14.098 13.661 4.791 1.00 0.00 N ATOM 211 CA VAL A 16 -13.739 15.049 5.140 1.00 0.00 C ATOM 212 C VAL A 16 -14.955 15.993 5.033 1.00 0.00 C ATOM 213 O VAL A 16 -15.219 16.759 5.961 1.00 0.00 O ATOM 214 CB VAL A 16 -12.542 15.525 4.279 1.00 0.00 C ATOM 215 CG1 VAL A 16 -12.327 17.042 4.303 1.00 0.00 C ATOM 216 CG2 VAL A 16 -11.251 14.851 4.771 1.00 0.00 C ATOM 0 H VAL A 16 -13.578 13.291 3.996 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.426 15.075 6.184 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.781 15.244 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.472 17.298 3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.218 17.542 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.138 17.367 5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.411 15.187 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.076 15.118 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.350 13.769 4.685 1.00 0.00 H new ATOM 226 N LYS A 17 -15.748 15.889 3.955 1.00 0.00 N ATOM 227 CA LYS A 17 -17.027 16.605 3.792 1.00 0.00 C ATOM 228 C LYS A 17 -18.059 16.236 4.874 1.00 0.00 C ATOM 229 O LYS A 17 -18.688 17.134 5.433 1.00 0.00 O ATOM 230 CB LYS A 17 -17.598 16.325 2.390 1.00 0.00 C ATOM 231 CG LYS A 17 -16.834 17.059 1.272 1.00 0.00 C ATOM 232 CD LYS A 17 -17.169 16.501 -0.119 1.00 0.00 C ATOM 233 CE LYS A 17 -18.642 16.696 -0.505 1.00 0.00 C ATOM 234 NZ LYS A 17 -18.979 15.937 -1.737 1.00 0.00 N ATOM 0 H LYS A 17 -15.516 15.296 3.158 1.00 0.00 H new ATOM 0 HA LYS A 17 -16.823 17.670 3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.568 15.252 2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.646 16.625 2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -17.077 18.121 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -15.762 16.972 1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.537 16.988 -0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -16.930 15.438 -0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -19.282 16.368 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -18.843 17.756 -0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -19.931 16.205 -2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -18.286 16.157 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -18.957 14.917 -1.534 1.00 0.00 H new ATOM 248 N GLU A 18 -18.197 14.950 5.223 1.00 0.00 N ATOM 249 CA GLU A 18 -19.050 14.518 6.340 1.00 0.00 C ATOM 250 C GLU A 18 -18.578 15.119 7.668 1.00 0.00 C ATOM 251 O GLU A 18 -19.375 15.775 8.327 1.00 0.00 O ATOM 252 CB GLU A 18 -19.111 12.984 6.450 1.00 0.00 C ATOM 253 CG GLU A 18 -20.196 12.349 5.573 1.00 0.00 C ATOM 254 CD GLU A 18 -21.603 12.620 6.130 1.00 0.00 C ATOM 255 OE1 GLU A 18 -21.921 12.142 7.246 1.00 0.00 O ATOM 256 OE2 GLU A 18 -22.402 13.305 5.448 1.00 0.00 O ATOM 0 H GLU A 18 -17.724 14.184 4.743 1.00 0.00 H new ATOM 0 HA GLU A 18 -20.054 14.886 6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -18.142 12.569 6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -19.289 12.709 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -20.123 12.744 4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -20.030 11.274 5.509 1.00 0.00 H new ATOM 263 N VAL A 19 -17.304 14.959 8.053 1.00 0.00 N ATOM 264 CA VAL A 19 -16.773 15.403 9.364 1.00 0.00 C ATOM 265 C VAL A 19 -17.099 16.879 9.645 1.00 0.00 C ATOM 266 O VAL A 19 -17.439 17.224 10.774 1.00 0.00 O ATOM 267 CB VAL A 19 -15.242 15.186 9.464 1.00 0.00 C ATOM 268 CG1 VAL A 19 -14.668 15.700 10.799 1.00 0.00 C ATOM 269 CG2 VAL A 19 -14.833 13.710 9.334 1.00 0.00 C ATOM 0 H VAL A 19 -16.601 14.514 7.463 1.00 0.00 H new ATOM 0 HA VAL A 19 -17.267 14.788 10.117 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.834 15.754 8.628 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.592 15.526 10.823 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.866 16.768 10.893 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -15.140 15.170 11.626 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.749 13.625 9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -15.301 13.131 10.130 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.158 13.326 8.367 1.00 0.00 H new ATOM 279 N CYS A 20 -17.060 17.742 8.620 1.00 0.00 N ATOM 280 CA CYS A 20 -17.435 19.157 8.725 1.00 0.00 C ATOM 281 C CYS A 20 -18.822 19.364 9.371 1.00 0.00 C ATOM 282 O CYS A 20 -18.930 20.100 10.352 1.00 0.00 O ATOM 283 CB CYS A 20 -17.335 19.759 7.309 1.00 0.00 C ATOM 284 SG CYS A 20 -17.823 21.510 7.318 1.00 0.00 S ATOM 0 H CYS A 20 -16.763 17.472 7.682 1.00 0.00 H new ATOM 0 HA CYS A 20 -16.753 19.676 9.399 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -16.314 19.663 6.939 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -17.975 19.202 6.626 1.00 0.00 H new ATOM 0 HG CYS A 20 -17.396 22.074 8.409 1.00 0.00 H new ATOM 290 N GLU A 21 -19.863 18.685 8.877 1.00 0.00 N ATOM 291 CA GLU A 21 -21.242 18.831 9.372 1.00 0.00 C ATOM 292 C GLU A 21 -21.627 17.808 10.459 1.00 0.00 C ATOM 293 O GLU A 21 -22.380 18.130 11.379 1.00 0.00 O ATOM 294 CB GLU A 21 -22.238 18.810 8.197 1.00 0.00 C ATOM 295 CG GLU A 21 -22.269 17.512 7.375 1.00 0.00 C ATOM 296 CD GLU A 21 -23.312 17.620 6.254 1.00 0.00 C ATOM 297 OE1 GLU A 21 -24.503 17.304 6.495 1.00 0.00 O ATOM 298 OE2 GLU A 21 -22.959 18.046 5.129 1.00 0.00 O ATOM 0 H GLU A 21 -19.774 18.012 8.116 1.00 0.00 H new ATOM 0 HA GLU A 21 -21.292 19.802 9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.238 18.995 8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -22.000 19.637 7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -21.285 17.319 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -22.507 16.668 8.023 1.00 0.00 H new ATOM 305 N LYS A 22 -21.094 16.584 10.385 1.00 0.00 N ATOM 306 CA LYS A 22 -21.391 15.473 11.298 1.00 0.00 C ATOM 307 C LYS A 22 -20.732 15.670 12.678 1.00 0.00 C ATOM 308 O LYS A 22 -21.359 15.409 13.707 1.00 0.00 O ATOM 309 CB LYS A 22 -20.921 14.183 10.594 1.00 0.00 C ATOM 310 CG LYS A 22 -21.181 12.854 11.323 1.00 0.00 C ATOM 311 CD LYS A 22 -22.636 12.579 11.726 1.00 0.00 C ATOM 312 CE LYS A 22 -23.681 12.761 10.606 1.00 0.00 C ATOM 313 NZ LYS A 22 -23.535 11.778 9.495 1.00 0.00 N ATOM 0 H LYS A 22 -20.420 16.330 9.663 1.00 0.00 H new ATOM 0 HA LYS A 22 -22.459 15.418 11.507 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -21.405 14.134 9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -19.849 14.267 10.414 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -20.842 12.039 10.683 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -20.565 12.830 12.222 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -22.704 11.557 12.100 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -22.897 13.239 12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -24.680 12.670 11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -23.598 13.770 10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -24.464 11.606 9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -22.882 12.157 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -23.157 10.884 9.870 1.00 0.00 H new ATOM 327 N PHE A 23 -19.480 16.147 12.691 1.00 0.00 N ATOM 328 CA PHE A 23 -18.704 16.430 13.904 1.00 0.00 C ATOM 329 C PHE A 23 -18.694 17.920 14.310 1.00 0.00 C ATOM 330 O PHE A 23 -18.318 18.230 15.441 1.00 0.00 O ATOM 331 CB PHE A 23 -17.283 15.897 13.683 1.00 0.00 C ATOM 332 CG PHE A 23 -16.565 15.562 14.972 1.00 0.00 C ATOM 333 CD1 PHE A 23 -16.944 14.421 15.700 1.00 0.00 C ATOM 334 CD2 PHE A 23 -15.521 16.381 15.440 1.00 0.00 C ATOM 335 CE1 PHE A 23 -16.279 14.089 16.890 1.00 0.00 C ATOM 336 CE2 PHE A 23 -14.844 16.042 16.625 1.00 0.00 C ATOM 337 CZ PHE A 23 -15.222 14.896 17.351 1.00 0.00 C ATOM 0 H PHE A 23 -18.966 16.352 11.834 1.00 0.00 H new ATOM 0 HA PHE A 23 -19.183 15.927 14.744 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.330 15.005 13.058 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -16.704 16.640 13.135 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.750 13.798 15.342 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -15.240 17.268 14.891 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -16.578 13.216 17.451 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -14.033 16.661 16.979 1.00 0.00 H new ATOM 0 HZ PHE A 23 -14.701 14.637 18.261 1.00 0.00 H new ATOM 347 N GLU A 24 -19.111 18.823 13.410 1.00 0.00 N ATOM 348 CA GLU A 24 -19.243 20.278 13.618 1.00 0.00 C ATOM 349 C GLU A 24 -17.859 20.950 13.724 1.00 0.00 C ATOM 350 O GLU A 24 -17.407 21.346 14.804 1.00 0.00 O ATOM 351 CB GLU A 24 -20.183 20.639 14.792 1.00 0.00 C ATOM 352 CG GLU A 24 -21.601 20.086 14.596 1.00 0.00 C ATOM 353 CD GLU A 24 -22.530 20.556 15.723 1.00 0.00 C ATOM 354 OE1 GLU A 24 -23.136 21.649 15.604 1.00 0.00 O ATOM 355 OE2 GLU A 24 -22.672 19.834 16.739 1.00 0.00 O ATOM 0 H GLU A 24 -19.380 18.546 12.466 1.00 0.00 H new ATOM 0 HA GLU A 24 -19.731 20.686 12.733 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.768 20.247 15.720 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -20.230 21.723 14.897 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -21.994 20.414 13.634 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -21.571 18.997 14.574 1.00 0.00 H new ATOM 362 N CYS A 25 -17.186 21.086 12.575 1.00 0.00 N ATOM 363 CA CYS A 25 -15.853 21.692 12.421 1.00 0.00 C ATOM 364 C CYS A 25 -15.644 22.229 10.989 1.00 0.00 C ATOM 365 O CYS A 25 -16.535 22.112 10.143 1.00 0.00 O ATOM 366 CB CYS A 25 -14.786 20.657 12.829 1.00 0.00 C ATOM 367 SG CYS A 25 -13.275 21.534 13.344 1.00 0.00 S ATOM 0 H CYS A 25 -17.570 20.763 11.687 1.00 0.00 H new ATOM 0 HA CYS A 25 -15.762 22.557 13.078 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -15.157 20.035 13.644 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -14.569 19.991 11.994 1.00 0.00 H new ATOM 0 HG CYS A 25 -12.285 21.178 12.581 1.00 0.00 H new ATOM 373 N THR A 26 -14.459 22.772 10.687 1.00 0.00 N ATOM 374 CA THR A 26 -14.032 23.131 9.322 1.00 0.00 C ATOM 375 C THR A 26 -13.260 21.971 8.702 1.00 0.00 C ATOM 376 O THR A 26 -12.489 21.291 9.380 1.00 0.00 O ATOM 377 CB THR A 26 -13.207 24.420 9.289 1.00 0.00 C ATOM 378 OG1 THR A 26 -12.149 24.338 10.213 1.00 0.00 O ATOM 379 CG2 THR A 26 -14.069 25.633 9.649 1.00 0.00 C ATOM 0 H THR A 26 -13.754 22.980 11.395 1.00 0.00 H new ATOM 0 HA THR A 26 -14.928 23.323 8.732 1.00 0.00 H new ATOM 0 HB THR A 26 -12.819 24.540 8.277 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.625 25.166 10.185 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.458 26.535 9.618 1.00 0.00 H new ATOM 0 HG22 THR A 26 -14.887 25.723 8.934 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.477 25.505 10.652 1.00 0.00 H new ATOM 387 N GLU A 27 -13.471 21.737 7.408 1.00 0.00 N ATOM 388 CA GLU A 27 -12.976 20.534 6.724 1.00 0.00 C ATOM 389 C GLU A 27 -11.440 20.485 6.656 1.00 0.00 C ATOM 390 O GLU A 27 -10.819 19.467 6.949 1.00 0.00 O ATOM 391 CB GLU A 27 -13.672 20.380 5.355 1.00 0.00 C ATOM 392 CG GLU A 27 -13.145 21.217 4.179 1.00 0.00 C ATOM 393 CD GLU A 27 -13.253 22.730 4.431 1.00 0.00 C ATOM 394 OE1 GLU A 27 -14.373 23.281 4.334 1.00 0.00 O ATOM 395 OE2 GLU A 27 -12.218 23.362 4.759 1.00 0.00 O ATOM 0 H GLU A 27 -13.989 22.372 6.801 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.244 19.660 7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.616 19.330 5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.727 20.619 5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.103 20.958 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.703 20.962 3.278 1.00 0.00 H new ATOM 402 N SER A 28 -10.805 21.620 6.366 1.00 0.00 N ATOM 403 CA SER A 28 -9.352 21.751 6.223 1.00 0.00 C ATOM 404 C SER A 28 -8.590 21.406 7.518 1.00 0.00 C ATOM 405 O SER A 28 -7.475 20.888 7.451 1.00 0.00 O ATOM 406 CB SER A 28 -9.018 23.182 5.771 1.00 0.00 C ATOM 407 OG SER A 28 -9.622 23.495 4.522 1.00 0.00 O ATOM 0 H SER A 28 -11.300 22.500 6.220 1.00 0.00 H new ATOM 0 HA SER A 28 -9.026 21.031 5.473 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.357 23.891 6.527 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.937 23.295 5.691 1.00 0.00 H new ATOM 0 HG SER A 28 -10.560 23.741 4.665 1.00 0.00 H new ATOM 413 N GLU A 29 -9.199 21.603 8.696 1.00 0.00 N ATOM 414 CA GLU A 29 -8.609 21.181 9.974 1.00 0.00 C ATOM 415 C GLU A 29 -8.624 19.651 10.140 1.00 0.00 C ATOM 416 O GLU A 29 -7.705 19.092 10.745 1.00 0.00 O ATOM 417 CB GLU A 29 -9.337 21.849 11.155 1.00 0.00 C ATOM 418 CG GLU A 29 -9.099 23.364 11.236 1.00 0.00 C ATOM 419 CD GLU A 29 -7.633 23.698 11.556 1.00 0.00 C ATOM 420 OE1 GLU A 29 -7.213 23.538 12.727 1.00 0.00 O ATOM 421 OE2 GLU A 29 -6.892 24.138 10.643 1.00 0.00 O ATOM 0 H GLU A 29 -10.108 22.056 8.790 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.568 21.503 9.968 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.407 21.660 11.067 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.007 21.386 12.085 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.378 23.826 10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.745 23.792 12.003 1.00 0.00 H new ATOM 428 N VAL A 30 -9.616 18.963 9.555 1.00 0.00 N ATOM 429 CA VAL A 30 -9.700 17.490 9.542 1.00 0.00 C ATOM 430 C VAL A 30 -8.548 16.919 8.709 1.00 0.00 C ATOM 431 O VAL A 30 -7.849 16.011 9.155 1.00 0.00 O ATOM 432 CB VAL A 30 -11.032 16.977 8.940 1.00 0.00 C ATOM 433 CG1 VAL A 30 -11.201 15.469 9.169 1.00 0.00 C ATOM 434 CG2 VAL A 30 -12.266 17.714 9.487 1.00 0.00 C ATOM 0 H VAL A 30 -10.392 19.416 9.072 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.643 17.159 10.579 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.969 17.183 7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.145 15.139 8.735 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.377 14.935 8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.201 15.261 10.239 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -13.166 17.308 9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.320 17.581 10.568 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.188 18.776 9.256 1.00 0.00 H new ATOM 444 N MET A 31 -8.324 17.489 7.516 1.00 0.00 N ATOM 445 CA MET A 31 -7.187 17.149 6.655 1.00 0.00 C ATOM 446 C MET A 31 -5.858 17.418 7.374 1.00 0.00 C ATOM 447 O MET A 31 -4.988 16.552 7.391 1.00 0.00 O ATOM 448 CB MET A 31 -7.259 17.947 5.341 1.00 0.00 C ATOM 449 CG MET A 31 -8.519 17.625 4.525 1.00 0.00 C ATOM 450 SD MET A 31 -8.728 18.623 3.023 1.00 0.00 S ATOM 451 CE MET A 31 -7.343 18.012 2.030 1.00 0.00 C ATOM 0 H MET A 31 -8.933 18.205 7.120 1.00 0.00 H new ATOM 0 HA MET A 31 -7.237 16.085 6.423 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.239 19.013 5.566 1.00 0.00 H new ATOM 0 HB3 MET A 31 -6.376 17.731 4.740 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.494 16.572 4.244 1.00 0.00 H new ATOM 0 HG3 MET A 31 -9.393 17.764 5.162 1.00 0.00 H new ATOM 0 HE1 MET A 31 -7.411 18.420 1.021 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.403 18.324 2.485 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.380 16.924 1.985 1.00 0.00 H new ATOM 461 N ASN A 32 -5.715 18.576 8.028 1.00 0.00 N ATOM 462 CA ASN A 32 -4.498 18.956 8.747 1.00 0.00 C ATOM 463 C ASN A 32 -4.083 17.904 9.792 1.00 0.00 C ATOM 464 O ASN A 32 -2.946 17.429 9.752 1.00 0.00 O ATOM 465 CB ASN A 32 -4.684 20.350 9.365 1.00 0.00 C ATOM 466 CG ASN A 32 -3.400 20.862 10.011 1.00 0.00 C ATOM 467 OD1 ASN A 32 -2.542 21.436 9.351 1.00 0.00 O ATOM 468 ND2 ASN A 32 -3.231 20.672 11.309 1.00 0.00 N ATOM 0 H ASN A 32 -6.450 19.282 8.072 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.674 18.999 8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.006 21.049 8.593 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.477 20.313 10.112 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.382 21.004 11.767 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.950 20.193 11.852 1.00 0.00 H new ATOM 475 N SER A 33 -4.975 17.473 10.692 1.00 0.00 N ATOM 476 CA SER A 33 -4.599 16.481 11.719 1.00 0.00 C ATOM 477 C SER A 33 -4.322 15.068 11.174 1.00 0.00 C ATOM 478 O SER A 33 -3.676 14.269 11.854 1.00 0.00 O ATOM 479 CB SER A 33 -5.617 16.433 12.863 1.00 0.00 C ATOM 480 OG SER A 33 -6.916 16.059 12.456 1.00 0.00 O ATOM 0 H SER A 33 -5.945 17.785 10.735 1.00 0.00 H new ATOM 0 HA SER A 33 -3.646 16.838 12.109 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.267 15.730 13.619 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.663 17.414 13.337 1.00 0.00 H new ATOM 0 HG SER A 33 -7.538 16.171 13.205 1.00 0.00 H new ATOM 486 N LEU A 34 -4.734 14.767 9.936 1.00 0.00 N ATOM 487 CA LEU A 34 -4.400 13.525 9.234 1.00 0.00 C ATOM 488 C LEU A 34 -3.084 13.644 8.437 1.00 0.00 C ATOM 489 O LEU A 34 -2.428 12.630 8.187 1.00 0.00 O ATOM 490 CB LEU A 34 -5.582 13.160 8.316 1.00 0.00 C ATOM 491 CG LEU A 34 -6.864 12.759 9.081 1.00 0.00 C ATOM 492 CD1 LEU A 34 -8.087 12.837 8.160 1.00 0.00 C ATOM 493 CD2 LEU A 34 -6.753 11.337 9.652 1.00 0.00 C ATOM 0 H LEU A 34 -5.320 15.394 9.385 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.236 12.732 9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.805 14.010 7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.285 12.337 7.666 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.982 13.461 9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.980 12.551 8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.200 13.856 7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.952 12.159 7.317 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.671 11.086 10.184 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.600 10.629 8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.909 11.286 10.340 1.00 0.00 H new ATOM 505 N TYR A 35 -2.684 14.865 8.064 1.00 0.00 N ATOM 506 CA TYR A 35 -1.514 15.145 7.224 1.00 0.00 C ATOM 507 C TYR A 35 -0.255 15.509 8.034 1.00 0.00 C ATOM 508 O TYR A 35 0.806 14.914 7.835 1.00 0.00 O ATOM 509 CB TYR A 35 -1.880 16.286 6.259 1.00 0.00 C ATOM 510 CG TYR A 35 -0.732 16.773 5.394 1.00 0.00 C ATOM 511 CD1 TYR A 35 -0.145 15.908 4.452 1.00 0.00 C ATOM 512 CD2 TYR A 35 -0.234 18.081 5.545 1.00 0.00 C ATOM 513 CE1 TYR A 35 0.931 16.343 3.654 1.00 0.00 C ATOM 514 CE2 TYR A 35 0.845 18.526 4.756 1.00 0.00 C ATOM 515 CZ TYR A 35 1.430 17.658 3.807 1.00 0.00 C ATOM 516 OH TYR A 35 2.470 18.092 3.046 1.00 0.00 O ATOM 0 H TYR A 35 -3.180 15.710 8.347 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.262 14.235 6.679 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.690 15.951 5.611 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.263 17.126 6.839 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.523 14.902 4.340 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.681 18.746 6.269 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.373 15.676 2.929 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.225 19.530 4.876 1.00 0.00 H new ATOM 0 HH TYR A 35 2.683 19.019 3.281 1.00 0.00 H new ATOM 526 N SER A 36 -0.359 16.483 8.938 1.00 0.00 N ATOM 527 CA SER A 36 0.771 17.088 9.668 1.00 0.00 C ATOM 528 C SER A 36 0.621 17.061 11.202 1.00 0.00 C ATOM 529 O SER A 36 1.603 17.293 11.917 1.00 0.00 O ATOM 530 CB SER A 36 0.939 18.540 9.191 1.00 0.00 C ATOM 531 OG SER A 36 -0.269 19.272 9.349 1.00 0.00 O ATOM 0 H SER A 36 -1.258 16.890 9.195 1.00 0.00 H new ATOM 0 HA SER A 36 1.651 16.485 9.446 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.737 19.022 9.756 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.240 18.550 8.143 1.00 0.00 H new ATOM 0 HG SER A 36 -0.097 20.224 9.193 1.00 0.00 H new ATOM 537 N GLY A 37 -0.578 16.755 11.717 1.00 0.00 N ATOM 538 CA GLY A 37 -0.827 16.481 13.141 1.00 0.00 C ATOM 539 C GLY A 37 -0.599 15.004 13.473 1.00 0.00 C ATOM 540 O GLY A 37 0.416 14.419 13.089 1.00 0.00 O ATOM 0 H GLY A 37 -1.420 16.689 11.144 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.169 17.099 13.753 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.850 16.759 13.393 1.00 0.00 H new ATOM 544 N ASP A 38 -1.541 14.400 14.202 1.00 0.00 N ATOM 545 CA ASP A 38 -1.519 12.983 14.581 1.00 0.00 C ATOM 546 C ASP A 38 -2.938 12.357 14.516 1.00 0.00 C ATOM 547 O ASP A 38 -3.886 12.998 14.984 1.00 0.00 O ATOM 548 CB ASP A 38 -0.914 12.869 15.987 1.00 0.00 C ATOM 549 CG ASP A 38 -0.759 11.404 16.416 1.00 0.00 C ATOM 550 OD1 ASP A 38 -1.775 10.806 16.833 1.00 0.00 O ATOM 551 OD2 ASP A 38 0.364 10.858 16.310 1.00 0.00 O ATOM 0 H ASP A 38 -2.361 14.894 14.554 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.906 12.423 13.875 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.059 13.360 16.006 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.549 13.393 16.701 1.00 0.00 H new ATOM 556 N PRO A 39 -3.110 11.124 13.984 1.00 0.00 N ATOM 557 CA PRO A 39 -4.411 10.461 13.827 1.00 0.00 C ATOM 558 C PRO A 39 -5.259 10.250 15.096 1.00 0.00 C ATOM 559 O PRO A 39 -6.421 9.859 14.983 1.00 0.00 O ATOM 560 CB PRO A 39 -4.110 9.105 13.181 1.00 0.00 C ATOM 561 CG PRO A 39 -2.835 9.364 12.391 1.00 0.00 C ATOM 562 CD PRO A 39 -2.088 10.349 13.285 1.00 0.00 C ATOM 0 HA PRO A 39 -5.034 11.129 13.232 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.967 8.326 13.930 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.924 8.779 12.534 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.265 8.449 12.230 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.045 9.786 11.408 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.447 9.823 13.993 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.443 10.999 12.694 1.00 0.00 H new ATOM 570 N GLN A 40 -4.715 10.488 16.295 1.00 0.00 N ATOM 571 CA GLN A 40 -5.443 10.385 17.569 1.00 0.00 C ATOM 572 C GLN A 40 -6.191 11.691 17.926 1.00 0.00 C ATOM 573 O GLN A 40 -6.909 11.747 18.926 1.00 0.00 O ATOM 574 CB GLN A 40 -4.467 9.970 18.689 1.00 0.00 C ATOM 575 CG GLN A 40 -4.206 8.454 18.792 1.00 0.00 C ATOM 576 CD GLN A 40 -3.742 7.735 17.518 1.00 0.00 C ATOM 577 OE1 GLN A 40 -4.308 6.726 17.111 1.00 0.00 O ATOM 578 NE2 GLN A 40 -2.696 8.172 16.846 1.00 0.00 N ATOM 0 H GLN A 40 -3.740 10.763 16.411 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.209 9.617 17.461 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.516 10.478 18.529 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.860 10.322 19.643 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.454 8.292 19.564 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.123 7.976 19.135 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.203 9.009 17.158 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.380 7.674 16.014 1.00 0.00 H new ATOM 587 N ASP A 41 -6.050 12.737 17.106 1.00 0.00 N ATOM 588 CA ASP A 41 -6.832 13.976 17.164 1.00 0.00 C ATOM 589 C ASP A 41 -8.342 13.724 16.973 1.00 0.00 C ATOM 590 O ASP A 41 -8.743 12.855 16.198 1.00 0.00 O ATOM 591 CB ASP A 41 -6.309 14.922 16.077 1.00 0.00 C ATOM 592 CG ASP A 41 -7.216 16.137 15.875 1.00 0.00 C ATOM 593 OD1 ASP A 41 -7.179 17.062 16.722 1.00 0.00 O ATOM 594 OD2 ASP A 41 -7.979 16.121 14.882 1.00 0.00 O ATOM 0 H ASP A 41 -5.361 12.744 16.354 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.714 14.419 18.153 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.308 15.260 16.344 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.221 14.377 15.137 1.00 0.00 H new ATOM 599 N GLN A 42 -9.189 14.523 17.633 1.00 0.00 N ATOM 600 CA GLN A 42 -10.651 14.368 17.603 1.00 0.00 C ATOM 601 C GLN A 42 -11.235 14.404 16.179 1.00 0.00 C ATOM 602 O GLN A 42 -12.141 13.626 15.890 1.00 0.00 O ATOM 603 CB GLN A 42 -11.304 15.457 18.474 1.00 0.00 C ATOM 604 CG GLN A 42 -10.975 15.310 19.970 1.00 0.00 C ATOM 605 CD GLN A 42 -11.663 16.385 20.816 1.00 0.00 C ATOM 606 OE1 GLN A 42 -11.077 17.394 21.185 1.00 0.00 O ATOM 607 NE2 GLN A 42 -12.930 16.222 21.150 1.00 0.00 N ATOM 0 H GLN A 42 -8.877 15.304 18.210 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.877 13.380 18.004 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.973 16.437 18.130 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.385 15.421 18.340 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -11.286 14.324 20.314 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.896 15.372 20.112 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.433 15.387 20.850 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.406 16.931 21.707 1.00 0.00 H new ATOM 616 N LEU A 43 -10.709 15.239 15.273 1.00 0.00 N ATOM 617 CA LEU A 43 -11.186 15.319 13.886 1.00 0.00 C ATOM 618 C LEU A 43 -10.706 14.119 13.058 1.00 0.00 C ATOM 619 O LEU A 43 -11.461 13.597 12.240 1.00 0.00 O ATOM 620 CB LEU A 43 -10.725 16.631 13.224 1.00 0.00 C ATOM 621 CG LEU A 43 -10.985 17.922 14.023 1.00 0.00 C ATOM 622 CD1 LEU A 43 -10.482 19.128 13.223 1.00 0.00 C ATOM 623 CD2 LEU A 43 -12.471 18.101 14.359 1.00 0.00 C ATOM 0 H LEU A 43 -9.941 15.878 15.481 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.275 15.301 13.915 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.655 16.559 13.028 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.221 16.720 12.257 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.444 17.847 14.966 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.666 20.042 13.788 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.413 19.023 13.041 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.009 19.178 12.270 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.608 19.024 14.923 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.049 18.150 13.436 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.813 17.256 14.957 1.00 0.00 H new ATOM 635 N ALA A 44 -9.478 13.643 13.288 1.00 0.00 N ATOM 636 CA ALA A 44 -8.971 12.414 12.677 1.00 0.00 C ATOM 637 C ALA A 44 -9.743 11.174 13.169 1.00 0.00 C ATOM 638 O ALA A 44 -10.139 10.323 12.371 1.00 0.00 O ATOM 639 CB ALA A 44 -7.473 12.312 12.970 1.00 0.00 C ATOM 0 H ALA A 44 -8.808 14.102 13.905 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.124 12.450 11.598 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.076 11.401 12.522 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.960 13.177 12.549 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.314 12.285 14.048 1.00 0.00 H new ATOM 645 N VAL A 45 -10.026 11.106 14.471 1.00 0.00 N ATOM 646 CA VAL A 45 -10.902 10.101 15.082 1.00 0.00 C ATOM 647 C VAL A 45 -12.313 10.167 14.478 1.00 0.00 C ATOM 648 O VAL A 45 -12.836 9.122 14.099 1.00 0.00 O ATOM 649 CB VAL A 45 -10.916 10.247 16.621 1.00 0.00 C ATOM 650 CG1 VAL A 45 -12.045 9.455 17.300 1.00 0.00 C ATOM 651 CG2 VAL A 45 -9.576 9.765 17.205 1.00 0.00 C ATOM 0 H VAL A 45 -9.643 11.765 15.149 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.505 9.111 14.859 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.083 11.305 16.821 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.995 9.603 18.379 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.009 9.805 16.930 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.933 8.395 17.073 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.593 9.871 18.290 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.421 8.718 16.945 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.764 10.365 16.795 1.00 0.00 H new ATOM 661 N ALA A 46 -12.907 11.357 14.303 1.00 0.00 N ATOM 662 CA ALA A 46 -14.179 11.532 13.599 1.00 0.00 C ATOM 663 C ALA A 46 -14.123 10.995 12.159 1.00 0.00 C ATOM 664 O ALA A 46 -14.987 10.213 11.767 1.00 0.00 O ATOM 665 CB ALA A 46 -14.570 13.013 13.633 1.00 0.00 C ATOM 0 H ALA A 46 -12.512 12.231 14.651 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.944 10.946 14.109 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.517 13.151 13.111 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.676 13.338 14.668 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.796 13.605 13.145 1.00 0.00 H new ATOM 671 N TYR A 47 -13.089 11.345 11.390 1.00 0.00 N ATOM 672 CA TYR A 47 -12.847 10.841 10.031 1.00 0.00 C ATOM 673 C TYR A 47 -12.799 9.304 9.989 1.00 0.00 C ATOM 674 O TYR A 47 -13.523 8.691 9.205 1.00 0.00 O ATOM 675 CB TYR A 47 -11.562 11.503 9.509 1.00 0.00 C ATOM 676 CG TYR A 47 -10.971 10.942 8.232 1.00 0.00 C ATOM 677 CD1 TYR A 47 -10.032 9.892 8.295 1.00 0.00 C ATOM 678 CD2 TYR A 47 -11.269 11.540 6.994 1.00 0.00 C ATOM 679 CE1 TYR A 47 -9.397 9.433 7.125 1.00 0.00 C ATOM 680 CE2 TYR A 47 -10.637 11.082 5.820 1.00 0.00 C ATOM 681 CZ TYR A 47 -9.699 10.029 5.881 1.00 0.00 C ATOM 682 OH TYR A 47 -9.084 9.604 4.743 1.00 0.00 O ATOM 0 H TYR A 47 -12.376 12.005 11.702 1.00 0.00 H new ATOM 0 HA TYR A 47 -13.675 11.107 9.374 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.766 12.562 9.351 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.805 11.437 10.291 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.798 9.437 9.246 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.982 12.350 6.943 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.680 8.627 7.179 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.872 11.539 4.870 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.609 8.883 4.337 1.00 0.00 H new ATOM 692 N HIS A 48 -12.031 8.667 10.878 1.00 0.00 N ATOM 693 CA HIS A 48 -11.982 7.207 10.985 1.00 0.00 C ATOM 694 C HIS A 48 -13.349 6.591 11.366 1.00 0.00 C ATOM 695 O HIS A 48 -13.799 5.654 10.704 1.00 0.00 O ATOM 696 CB HIS A 48 -10.866 6.816 11.970 1.00 0.00 C ATOM 697 CG HIS A 48 -9.467 7.039 11.434 1.00 0.00 C ATOM 698 ND1 HIS A 48 -8.941 6.517 10.268 1.00 0.00 N ATOM 699 CD2 HIS A 48 -8.463 7.747 12.039 1.00 0.00 C ATOM 700 CE1 HIS A 48 -7.661 6.918 10.170 1.00 0.00 C ATOM 701 NE2 HIS A 48 -7.319 7.676 11.229 1.00 0.00 N ATOM 0 H HIS A 48 -11.426 9.149 11.543 1.00 0.00 H new ATOM 0 HA HIS A 48 -11.751 6.792 10.004 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.988 7.390 12.888 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -10.980 5.765 12.234 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -9.437 5.930 9.598 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.539 8.271 12.980 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.999 6.667 9.355 1.00 0.00 H new ATOM 709 N LEU A 49 -14.050 7.150 12.366 1.00 0.00 N ATOM 710 CA LEU A 49 -15.379 6.696 12.802 1.00 0.00 C ATOM 711 C LEU A 49 -16.446 6.853 11.712 1.00 0.00 C ATOM 712 O LEU A 49 -17.332 6.014 11.594 1.00 0.00 O ATOM 713 CB LEU A 49 -15.802 7.480 14.065 1.00 0.00 C ATOM 714 CG LEU A 49 -15.050 7.091 15.356 1.00 0.00 C ATOM 715 CD1 LEU A 49 -15.366 8.114 16.456 1.00 0.00 C ATOM 716 CD2 LEU A 49 -15.430 5.685 15.843 1.00 0.00 C ATOM 0 H LEU A 49 -13.702 7.944 12.903 1.00 0.00 H new ATOM 0 HA LEU A 49 -15.303 5.631 13.022 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.652 8.544 13.881 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -16.870 7.332 14.226 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.983 7.088 15.132 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.836 7.842 17.369 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -15.047 9.105 16.133 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -16.439 8.122 16.648 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.877 5.453 16.753 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.500 5.648 16.049 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.183 4.954 15.073 1.00 0.00 H new ATOM 728 N ILE A 50 -16.368 7.907 10.898 1.00 0.00 N ATOM 729 CA ILE A 50 -17.289 8.155 9.776 1.00 0.00 C ATOM 730 C ILE A 50 -17.025 7.185 8.615 1.00 0.00 C ATOM 731 O ILE A 50 -17.977 6.689 8.017 1.00 0.00 O ATOM 732 CB ILE A 50 -17.211 9.656 9.402 1.00 0.00 C ATOM 733 CG1 ILE A 50 -18.012 10.454 10.462 1.00 0.00 C ATOM 734 CG2 ILE A 50 -17.741 9.956 7.987 1.00 0.00 C ATOM 735 CD1 ILE A 50 -17.720 11.956 10.482 1.00 0.00 C ATOM 0 H ILE A 50 -15.653 8.627 10.998 1.00 0.00 H new ATOM 0 HA ILE A 50 -18.320 7.949 10.063 1.00 0.00 H new ATOM 0 HB ILE A 50 -16.163 9.954 9.394 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -19.077 10.306 10.281 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -17.796 10.042 11.448 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -17.659 11.024 7.787 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -17.154 9.403 7.254 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -18.786 9.653 7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -18.324 12.434 11.253 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.664 12.118 10.696 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.964 12.387 9.511 1.00 0.00 H new ATOM 747 N ILE A 51 -15.762 6.859 8.325 1.00 0.00 N ATOM 748 CA ILE A 51 -15.403 5.801 7.356 1.00 0.00 C ATOM 749 C ILE A 51 -15.899 4.430 7.841 1.00 0.00 C ATOM 750 O ILE A 51 -16.484 3.686 7.054 1.00 0.00 O ATOM 751 CB ILE A 51 -13.879 5.841 7.061 1.00 0.00 C ATOM 752 CG1 ILE A 51 -13.569 7.106 6.230 1.00 0.00 C ATOM 753 CG2 ILE A 51 -13.403 4.581 6.309 1.00 0.00 C ATOM 754 CD1 ILE A 51 -12.080 7.422 6.063 1.00 0.00 C ATOM 0 H ILE A 51 -14.956 7.316 8.751 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.908 5.985 6.408 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.343 5.868 8.010 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -14.014 6.991 5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.056 7.960 6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.331 4.651 6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.610 3.697 6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.931 4.503 5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.965 8.326 5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.628 7.574 7.043 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -11.586 6.590 5.561 1.00 0.00 H new ATOM 766 N ASP A 52 -15.736 4.113 9.129 1.00 0.00 N ATOM 767 CA ASP A 52 -16.290 2.901 9.738 1.00 0.00 C ATOM 768 C ASP A 52 -17.822 2.861 9.630 1.00 0.00 C ATOM 769 O ASP A 52 -18.367 1.894 9.106 1.00 0.00 O ATOM 770 CB ASP A 52 -15.837 2.764 11.203 1.00 0.00 C ATOM 771 CG ASP A 52 -14.339 2.451 11.389 1.00 0.00 C ATOM 772 OD1 ASP A 52 -13.740 1.776 10.517 1.00 0.00 O ATOM 773 OD2 ASP A 52 -13.795 2.800 12.465 1.00 0.00 O ATOM 0 H ASP A 52 -15.212 4.695 9.783 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.901 2.049 9.181 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.068 3.691 11.728 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.420 1.975 11.677 1.00 0.00 H new ATOM 778 N ASN A 53 -18.535 3.908 10.050 1.00 0.00 N ATOM 779 CA ASN A 53 -19.999 3.938 10.017 1.00 0.00 C ATOM 780 C ASN A 53 -20.551 3.828 8.583 1.00 0.00 C ATOM 781 O ASN A 53 -21.477 3.048 8.354 1.00 0.00 O ATOM 782 CB ASN A 53 -20.515 5.200 10.736 1.00 0.00 C ATOM 783 CG ASN A 53 -20.264 5.219 12.250 1.00 0.00 C ATOM 784 OD1 ASN A 53 -19.789 4.269 12.863 1.00 0.00 O ATOM 785 ND2 ASN A 53 -20.613 6.315 12.903 1.00 0.00 N ATOM 0 H ASN A 53 -18.114 4.759 10.423 1.00 0.00 H new ATOM 0 HA ASN A 53 -20.368 3.062 10.550 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -20.041 6.075 10.291 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -21.586 5.292 10.557 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -20.487 6.368 13.914 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -21.008 7.107 12.396 1.00 0.00 H new ATOM 792 N ARG A 54 -19.937 4.495 7.593 1.00 0.00 N ATOM 793 CA ARG A 54 -20.268 4.308 6.167 1.00 0.00 C ATOM 794 C ARG A 54 -20.059 2.863 5.695 1.00 0.00 C ATOM 795 O ARG A 54 -20.881 2.327 4.952 1.00 0.00 O ATOM 796 CB ARG A 54 -19.402 5.238 5.306 1.00 0.00 C ATOM 797 CG ARG A 54 -19.857 6.705 5.352 1.00 0.00 C ATOM 798 CD ARG A 54 -18.750 7.593 4.779 1.00 0.00 C ATOM 799 NE ARG A 54 -18.503 7.314 3.350 1.00 0.00 N ATOM 800 CZ ARG A 54 -17.407 7.632 2.673 1.00 0.00 C ATOM 801 NH1 ARG A 54 -16.429 8.306 3.234 1.00 0.00 N ATOM 802 NH2 ARG A 54 -17.269 7.286 1.412 1.00 0.00 N ATOM 0 H ARG A 54 -19.198 5.179 7.756 1.00 0.00 H new ATOM 0 HA ARG A 54 -21.326 4.547 6.055 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -18.367 5.175 5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -19.423 4.890 4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -20.775 6.832 4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -20.080 6.997 6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -19.025 8.641 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -17.831 7.437 5.343 1.00 0.00 H new ATOM 0 HE ARG A 54 -19.242 6.833 2.837 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.503 8.596 4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.595 8.540 2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.010 6.766 0.942 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.421 7.537 0.904 1.00 0.00 H new ATOM 816 N ARG A 55 -18.973 2.228 6.143 1.00 0.00 N ATOM 817 CA ARG A 55 -18.621 0.842 5.793 1.00 0.00 C ATOM 818 C ARG A 55 -19.545 -0.206 6.446 1.00 0.00 C ATOM 819 O ARG A 55 -20.112 -1.036 5.736 1.00 0.00 O ATOM 820 CB ARG A 55 -17.140 0.590 6.131 1.00 0.00 C ATOM 821 CG ARG A 55 -16.644 -0.738 5.544 1.00 0.00 C ATOM 822 CD ARG A 55 -15.158 -1.006 5.822 1.00 0.00 C ATOM 823 NE ARG A 55 -14.907 -1.259 7.255 1.00 0.00 N ATOM 824 CZ ARG A 55 -14.446 -0.401 8.158 1.00 0.00 C ATOM 825 NH1 ARG A 55 -14.084 0.826 7.866 1.00 0.00 N ATOM 826 NH2 ARG A 55 -14.345 -0.753 9.417 1.00 0.00 N ATOM 0 H ARG A 55 -18.299 2.667 6.770 1.00 0.00 H new ATOM 0 HA ARG A 55 -18.772 0.722 4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -16.534 1.409 5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -17.010 0.581 7.213 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -17.237 -1.554 5.957 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -16.811 -0.736 4.467 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.828 -1.865 5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.567 -0.151 5.494 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.111 -2.201 7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.150 1.162 6.905 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.737 1.443 8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.621 -1.691 9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.990 -0.089 10.105 1.00 0.00 H new ATOM 840 N ILE A 56 -19.699 -0.189 7.779 1.00 0.00 N ATOM 841 CA ILE A 56 -20.380 -1.266 8.542 1.00 0.00 C ATOM 842 C ILE A 56 -21.793 -0.946 9.062 1.00 0.00 C ATOM 843 O ILE A 56 -22.557 -1.886 9.284 1.00 0.00 O ATOM 844 CB ILE A 56 -19.490 -1.785 9.698 1.00 0.00 C ATOM 845 CG1 ILE A 56 -18.970 -0.697 10.660 1.00 0.00 C ATOM 846 CG2 ILE A 56 -18.318 -2.599 9.120 1.00 0.00 C ATOM 847 CD1 ILE A 56 -18.677 -1.223 12.070 1.00 0.00 C ATOM 0 H ILE A 56 -19.356 0.571 8.367 1.00 0.00 H new ATOM 0 HA ILE A 56 -20.531 -2.047 7.797 1.00 0.00 H new ATOM 0 HB ILE A 56 -20.134 -2.415 10.311 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -18.061 -0.261 10.246 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -19.707 0.104 10.724 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -17.692 -2.964 9.934 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -18.707 -3.445 8.554 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -17.724 -1.965 8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -18.315 -0.407 12.695 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -19.590 -1.634 12.502 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -17.918 -2.003 12.017 1.00 0.00 H new ATOM 859 N MET A 57 -22.166 0.326 9.253 1.00 0.00 N ATOM 860 CA MET A 57 -23.480 0.711 9.814 1.00 0.00 C ATOM 861 C MET A 57 -24.485 1.232 8.773 1.00 0.00 C ATOM 862 O MET A 57 -25.682 1.281 9.059 1.00 0.00 O ATOM 863 CB MET A 57 -23.312 1.745 10.943 1.00 0.00 C ATOM 864 CG MET A 57 -22.462 1.208 12.098 1.00 0.00 C ATOM 865 SD MET A 57 -22.515 2.247 13.581 1.00 0.00 S ATOM 866 CE MET A 57 -21.289 1.366 14.582 1.00 0.00 C ATOM 0 H MET A 57 -21.570 1.122 9.025 1.00 0.00 H new ATOM 0 HA MET A 57 -23.903 -0.212 10.211 1.00 0.00 H new ATOM 0 HB2 MET A 57 -22.849 2.646 10.542 1.00 0.00 H new ATOM 0 HB3 MET A 57 -24.294 2.032 11.320 1.00 0.00 H new ATOM 0 HG2 MET A 57 -22.804 0.205 12.354 1.00 0.00 H new ATOM 0 HG3 MET A 57 -21.428 1.116 11.765 1.00 0.00 H new ATOM 0 HE1 MET A 57 -21.181 1.863 15.546 1.00 0.00 H new ATOM 0 HE2 MET A 57 -21.617 0.338 14.738 1.00 0.00 H new ATOM 0 HE3 MET A 57 -20.329 1.366 14.065 1.00 0.00 H new ATOM 876 N ASN A 58 -24.034 1.605 7.570 1.00 0.00 N ATOM 877 CA ASN A 58 -24.891 2.198 6.533 1.00 0.00 C ATOM 878 C ASN A 58 -25.981 1.232 6.011 1.00 0.00 C ATOM 879 O ASN A 58 -27.086 1.665 5.673 1.00 0.00 O ATOM 880 CB ASN A 58 -23.997 2.674 5.380 1.00 0.00 C ATOM 881 CG ASN A 58 -24.784 3.373 4.274 1.00 0.00 C ATOM 882 OD1 ASN A 58 -25.067 2.797 3.228 1.00 0.00 O ATOM 883 ND2 ASN A 58 -25.165 4.623 4.473 1.00 0.00 N ATOM 0 H ASN A 58 -23.060 1.504 7.285 1.00 0.00 H new ATOM 0 HA ASN A 58 -25.428 3.034 6.980 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -23.241 3.356 5.769 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -23.468 1.819 4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -25.697 5.114 3.755 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -24.927 5.096 5.345 1.00 0.00 H new ATOM 890 N GLN A 59 -25.677 -0.072 5.960 1.00 0.00 N ATOM 891 CA GLN A 59 -26.546 -1.133 5.438 1.00 0.00 C ATOM 892 C GLN A 59 -26.058 -2.503 5.941 1.00 0.00 C ATOM 893 O GLN A 59 -24.851 -2.730 6.066 1.00 0.00 O ATOM 894 CB GLN A 59 -26.544 -1.072 3.895 1.00 0.00 C ATOM 895 CG GLN A 59 -27.486 -2.092 3.230 1.00 0.00 C ATOM 896 CD GLN A 59 -27.491 -1.959 1.706 1.00 0.00 C ATOM 897 OE1 GLN A 59 -28.382 -1.363 1.111 1.00 0.00 O ATOM 898 NE2 GLN A 59 -26.501 -2.493 1.022 1.00 0.00 N ATOM 0 H GLN A 59 -24.783 -0.430 6.295 1.00 0.00 H new ATOM 0 HA GLN A 59 -27.567 -0.990 5.793 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -26.830 -0.068 3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -25.529 -1.241 3.536 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -27.180 -3.101 3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -28.498 -1.952 3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -25.755 -2.991 1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -26.480 -2.409 0.006 1.00 0.00 H new ATOM 907 N ALA A 60 -26.986 -3.436 6.187 1.00 0.00 N ATOM 908 CA ALA A 60 -26.707 -4.829 6.560 1.00 0.00 C ATOM 909 C ALA A 60 -26.261 -5.678 5.342 1.00 0.00 C ATOM 910 O ALA A 60 -26.873 -6.690 5.000 1.00 0.00 O ATOM 911 CB ALA A 60 -27.942 -5.384 7.286 1.00 0.00 C ATOM 0 H ALA A 60 -27.985 -3.236 6.130 1.00 0.00 H new ATOM 0 HA ALA A 60 -25.858 -4.876 7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -27.760 -6.419 7.574 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -28.138 -4.788 8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -28.805 -5.339 6.622 1.00 0.00 H new ATOM 917 N SER A 61 -25.205 -5.235 4.661 1.00 0.00 N ATOM 918 CA SER A 61 -24.672 -5.839 3.424 1.00 0.00 C ATOM 919 C SER A 61 -23.997 -7.218 3.626 1.00 0.00 C ATOM 920 O SER A 61 -23.779 -7.945 2.650 1.00 0.00 O ATOM 921 CB SER A 61 -23.645 -4.881 2.802 1.00 0.00 C ATOM 922 OG SER A 61 -24.194 -3.593 2.542 1.00 0.00 O ATOM 0 H SER A 61 -24.673 -4.417 4.959 1.00 0.00 H new ATOM 0 HA SER A 61 -25.531 -6.003 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 61 -22.792 -4.781 3.473 1.00 0.00 H new ATOM 0 HB3 SER A 61 -23.270 -5.308 1.872 1.00 0.00 H new ATOM 0 HG SER A 61 -23.505 -3.017 2.149 1.00 0.00 H new ATOM 928 N GLU A 62 -23.666 -7.593 4.872 1.00 0.00 N ATOM 929 CA GLU A 62 -22.987 -8.846 5.264 1.00 0.00 C ATOM 930 C GLU A 62 -23.320 -9.260 6.711 1.00 0.00 C ATOM 931 O GLU A 62 -23.760 -10.417 6.911 1.00 0.00 O ATOM 932 CB GLU A 62 -21.465 -8.710 5.046 1.00 0.00 C ATOM 933 CG GLU A 62 -20.715 -10.032 5.267 1.00 0.00 C ATOM 934 CD GLU A 62 -19.209 -9.892 4.953 1.00 0.00 C ATOM 935 OE1 GLU A 62 -18.418 -9.541 5.865 1.00 0.00 O ATOM 936 OE2 GLU A 62 -18.792 -10.146 3.794 1.00 0.00 O ATOM 937 OXT GLU A 62 -23.174 -8.427 7.637 1.00 0.00 O ATOM 0 H GLU A 62 -23.874 -7.002 5.677 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.360 -9.647 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.277 -8.355 4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.071 -7.955 5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.843 -10.355 6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -21.148 -10.807 4.635 1.00 0.00 H new TER 944 GLU A 62