USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 801 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 1 GLY N :NH3+ -121:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.675 K(o=-0.68,f=0) USER MOD Single : A 4 MET CE :methyl 162:sc= -0.0741 (180deg=-0.533) USER MOD Single : A 5 ASN : amide:sc= -1 K(o=-1,f=-6.8!) USER MOD Single : A 9 THR OG1 : rot 79:sc= 1.26 USER MOD Single : A 10 SER OG : rot 67:sc= 1.18 USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 85:sc= -1.81! USER MOD Single : A 40 SER OG : rot 180:sc= -0.137 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0.948 K(o=0.95,f=-7.8!) USER MOD Single : A 52 MET CE :methyl 169:sc= -1.14 (180deg=-1.73) USER MOD Single : A 59 GLN : amide:sc= -1.53! C(o=-1.5!,f=-6.3!) USER MOD Single : A 67 THR OG1 : rot -55:sc= 1.17 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 171:sc= -0.0343 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0889 X(o=-0.089,f=-0.13) USER MOD Single : A 102 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.183 4.617 1.076 1.00 23.41 N ATOM 2 CA GLY A 1 5.206 5.378 0.263 1.00 73.53 C ATOM 3 C GLY A 1 4.881 4.670 -1.033 1.00 72.31 C ATOM 4 O GLY A 1 5.296 3.528 -1.236 1.00 14.41 O ATOM 0 H1 GLY A 1 5.764 4.392 2.001 1.00 23.41 H new ATOM 0 H2 GLY A 1 6.431 3.735 0.585 1.00 23.41 H new ATOM 0 H3 GLY A 1 7.040 5.189 1.214 1.00 23.41 H new ATOM 0 HA2 GLY A 1 4.291 5.524 0.837 1.00 73.53 H new ATOM 0 HA3 GLY A 1 5.607 6.368 0.046 1.00 73.53 H new ATOM 10 N SER A 2 4.144 5.346 -1.906 1.00 3.14 N ATOM 11 CA SER A 2 3.716 4.768 -3.176 1.00 5.32 C ATOM 12 C SER A 2 4.907 4.323 -4.027 1.00 72.52 C ATOM 13 O SER A 2 4.991 3.162 -4.428 1.00 22.34 O ATOM 14 CB SER A 2 2.870 5.783 -3.945 1.00 20.22 C ATOM 15 OG SER A 2 1.781 6.231 -3.156 1.00 30.24 O ATOM 0 H SER A 2 3.827 6.304 -1.756 1.00 3.14 H new ATOM 0 HA SER A 2 3.119 3.882 -2.958 1.00 5.32 H new ATOM 0 HB2 SER A 2 3.488 6.632 -4.236 1.00 20.22 H new ATOM 0 HB3 SER A 2 2.497 5.331 -4.864 1.00 20.22 H new ATOM 0 HG SER A 2 1.253 6.881 -3.666 1.00 30.24 H new ATOM 21 N HIS A 3 5.823 5.247 -4.295 1.00 74.30 N ATOM 22 CA HIS A 3 6.984 4.954 -5.127 1.00 71.34 C ATOM 23 C HIS A 3 8.142 5.865 -4.723 1.00 55.41 C ATOM 24 O HIS A 3 7.925 7.038 -4.417 1.00 61.04 O ATOM 25 CB HIS A 3 6.621 5.148 -6.605 1.00 10.31 C ATOM 26 CG HIS A 3 7.547 4.466 -7.569 1.00 15.43 C ATOM 27 ND1 HIS A 3 7.302 3.212 -8.080 1.00 31.20 N ATOM 28 CD2 HIS A 3 8.703 4.878 -8.136 1.00 75.30 C ATOM 29 CE1 HIS A 3 8.266 2.885 -8.918 1.00 4.51 C ATOM 30 NE2 HIS A 3 9.131 3.880 -8.975 1.00 64.22 N ATOM 0 H HIS A 3 5.784 6.205 -3.948 1.00 74.30 H new ATOM 0 HA HIS A 3 7.292 3.918 -4.983 1.00 71.34 H new ATOM 0 HB2 HIS A 3 5.609 4.777 -6.769 1.00 10.31 H new ATOM 0 HB3 HIS A 3 6.609 6.215 -6.826 1.00 10.31 H new ATOM 0 HD2 HIS A 3 9.199 5.821 -7.961 1.00 75.30 H new ATOM 0 HE1 HIS A 3 8.336 1.957 -9.466 1.00 4.51 H new ATOM 0 HE2 HIS A 3 9.976 3.903 -9.546 1.00 64.22 H new ATOM 39 N MET A 4 9.358 5.323 -4.724 1.00 24.22 N ATOM 40 CA MET A 4 10.540 6.053 -4.255 1.00 74.34 C ATOM 41 C MET A 4 10.752 7.357 -5.024 1.00 53.14 C ATOM 42 O MET A 4 11.065 8.386 -4.428 1.00 34.52 O ATOM 43 CB MET A 4 11.800 5.176 -4.349 1.00 33.23 C ATOM 44 CG MET A 4 12.115 4.681 -5.753 1.00 44.04 C ATOM 45 SD MET A 4 13.669 3.770 -5.845 1.00 70.34 S ATOM 46 CE MET A 4 13.337 2.410 -4.722 1.00 13.33 C ATOM 0 H MET A 4 9.554 4.375 -5.046 1.00 24.22 H new ATOM 0 HA MET A 4 10.361 6.307 -3.210 1.00 74.34 H new ATOM 0 HB2 MET A 4 12.653 5.744 -3.977 1.00 33.23 H new ATOM 0 HB3 MET A 4 11.679 4.315 -3.691 1.00 33.23 H new ATOM 0 HG2 MET A 4 11.303 4.040 -6.097 1.00 44.04 H new ATOM 0 HG3 MET A 4 12.158 5.533 -6.432 1.00 44.04 H new ATOM 0 HE1 MET A 4 14.048 1.605 -4.906 1.00 13.33 H new ATOM 0 HE2 MET A 4 13.438 2.755 -3.693 1.00 13.33 H new ATOM 0 HE3 MET A 4 12.323 2.043 -4.884 1.00 13.33 H new ATOM 56 N ASN A 5 10.569 7.314 -6.341 1.00 22.52 N ATOM 57 CA ASN A 5 10.745 8.500 -7.179 1.00 73.11 C ATOM 58 C ASN A 5 9.782 9.599 -6.755 1.00 10.31 C ATOM 59 O ASN A 5 10.154 10.771 -6.654 1.00 10.11 O ATOM 60 CB ASN A 5 10.513 8.174 -8.660 1.00 53.32 C ATOM 61 CG ASN A 5 11.521 7.195 -9.235 1.00 53.24 C ATOM 62 OD1 ASN A 5 12.017 6.304 -8.543 1.00 40.34 O ATOM 63 ND2 ASN A 5 11.823 7.353 -10.512 1.00 4.12 N ATOM 0 H ASN A 5 10.299 6.473 -6.852 1.00 22.52 H new ATOM 0 HA ASN A 5 11.772 8.842 -7.050 1.00 73.11 H new ATOM 0 HB2 ASN A 5 9.511 7.762 -8.779 1.00 53.32 H new ATOM 0 HB3 ASN A 5 10.548 9.099 -9.236 1.00 53.32 H new ATOM 0 HD21 ASN A 5 12.489 6.724 -10.960 1.00 4.12 H new ATOM 0 HD22 ASN A 5 11.390 8.104 -11.049 1.00 4.12 H new ATOM 70 N ARG A 6 8.541 9.210 -6.498 1.00 70.34 N ATOM 71 CA ARG A 6 7.510 10.156 -6.103 1.00 45.50 C ATOM 72 C ARG A 6 7.807 10.714 -4.715 1.00 22.34 C ATOM 73 O ARG A 6 7.598 11.899 -4.456 1.00 1.32 O ATOM 74 CB ARG A 6 6.138 9.482 -6.118 1.00 34.52 C ATOM 75 CG ARG A 6 4.983 10.463 -6.193 1.00 35.22 C ATOM 76 CD ARG A 6 5.004 11.232 -7.504 1.00 55.24 C ATOM 77 NE ARG A 6 3.966 12.254 -7.557 1.00 65.22 N ATOM 78 CZ ARG A 6 3.540 12.831 -8.680 1.00 12.53 C ATOM 79 NH1 ARG A 6 4.045 12.468 -9.858 1.00 43.31 N ATOM 80 NH2 ARG A 6 2.609 13.774 -8.623 1.00 11.12 N ATOM 0 H ARG A 6 8.224 8.242 -6.557 1.00 70.34 H new ATOM 0 HA ARG A 6 7.503 10.980 -6.817 1.00 45.50 H new ATOM 0 HB2 ARG A 6 6.084 8.804 -6.970 1.00 34.52 H new ATOM 0 HB3 ARG A 6 6.031 8.874 -5.219 1.00 34.52 H new ATOM 0 HG2 ARG A 6 4.039 9.926 -6.097 1.00 35.22 H new ATOM 0 HG3 ARG A 6 5.039 11.161 -5.357 1.00 35.22 H new ATOM 0 HD2 ARG A 6 5.980 11.700 -7.634 1.00 55.24 H new ATOM 0 HD3 ARG A 6 4.871 10.537 -8.333 1.00 55.24 H new ATOM 0 HE ARG A 6 3.538 12.546 -6.678 1.00 65.22 H new ATOM 0 HH11 ARG A 6 4.762 11.744 -9.904 1.00 43.31 H new ATOM 0 HH12 ARG A 6 3.714 12.914 -10.714 1.00 43.31 H new ATOM 0 HH21 ARG A 6 2.222 14.055 -7.722 1.00 11.12 H new ATOM 0 HH22 ARG A 6 2.280 14.218 -9.480 1.00 11.12 H new ATOM 94 N PHE A 7 8.309 9.853 -3.837 1.00 61.03 N ATOM 95 CA PHE A 7 8.677 10.255 -2.485 1.00 54.10 C ATOM 96 C PHE A 7 9.789 11.298 -2.529 1.00 14.21 C ATOM 97 O PHE A 7 9.708 12.336 -1.870 1.00 1.24 O ATOM 98 CB PHE A 7 9.122 9.034 -1.673 1.00 72.25 C ATOM 99 CG PHE A 7 9.419 9.336 -0.230 1.00 31.43 C ATOM 100 CD1 PHE A 7 8.390 9.469 0.689 1.00 52.24 C ATOM 101 CD2 PHE A 7 10.727 9.488 0.208 1.00 4.00 C ATOM 102 CE1 PHE A 7 8.659 9.747 2.016 1.00 13.43 C ATOM 103 CE2 PHE A 7 11.001 9.766 1.533 1.00 61.21 C ATOM 104 CZ PHE A 7 9.966 9.896 2.439 1.00 73.30 C ATOM 0 H PHE A 7 8.471 8.866 -4.039 1.00 61.03 H new ATOM 0 HA PHE A 7 7.806 10.696 -2.001 1.00 54.10 H new ATOM 0 HB2 PHE A 7 8.342 8.274 -1.722 1.00 72.25 H new ATOM 0 HB3 PHE A 7 10.012 8.607 -2.135 1.00 72.25 H new ATOM 0 HD1 PHE A 7 7.366 9.354 0.365 1.00 52.24 H new ATOM 0 HD2 PHE A 7 11.540 9.388 -0.495 1.00 4.00 H new ATOM 0 HE1 PHE A 7 7.848 9.848 2.722 1.00 13.43 H new ATOM 0 HE2 PHE A 7 12.024 9.882 1.861 1.00 61.21 H new ATOM 0 HZ PHE A 7 10.178 10.114 3.475 1.00 73.30 H new ATOM 114 N LEU A 8 10.818 11.025 -3.326 1.00 52.30 N ATOM 115 CA LEU A 8 11.923 11.962 -3.499 1.00 12.42 C ATOM 116 C LEU A 8 11.417 13.290 -4.054 1.00 4.34 C ATOM 117 O LEU A 8 11.833 14.357 -3.607 1.00 54.30 O ATOM 118 CB LEU A 8 12.989 11.375 -4.427 1.00 73.45 C ATOM 119 CG LEU A 8 13.714 10.141 -3.885 1.00 4.01 C ATOM 120 CD1 LEU A 8 14.709 9.614 -4.907 1.00 63.33 C ATOM 121 CD2 LEU A 8 14.419 10.468 -2.575 1.00 0.01 C ATOM 0 H LEU A 8 10.909 10.162 -3.862 1.00 52.30 H new ATOM 0 HA LEU A 8 12.373 12.140 -2.522 1.00 12.42 H new ATOM 0 HB2 LEU A 8 12.519 11.114 -5.375 1.00 73.45 H new ATOM 0 HB3 LEU A 8 13.728 12.147 -4.640 1.00 73.45 H new ATOM 0 HG LEU A 8 12.973 9.365 -3.694 1.00 4.01 H new ATOM 0 HD11 LEU A 8 15.215 8.737 -4.504 1.00 63.33 H new ATOM 0 HD12 LEU A 8 14.182 9.341 -5.821 1.00 63.33 H new ATOM 0 HD13 LEU A 8 15.445 10.386 -5.130 1.00 63.33 H new ATOM 0 HD21 LEU A 8 14.929 9.579 -2.204 1.00 0.01 H new ATOM 0 HD22 LEU A 8 15.148 11.261 -2.742 1.00 0.01 H new ATOM 0 HD23 LEU A 8 13.685 10.798 -1.840 1.00 0.01 H new ATOM 133 N THR A 9 10.501 13.213 -5.014 1.00 50.43 N ATOM 134 CA THR A 9 9.886 14.406 -5.584 1.00 11.00 C ATOM 135 C THR A 9 9.141 15.193 -4.502 1.00 63.12 C ATOM 136 O THR A 9 9.182 16.426 -4.470 1.00 22.31 O ATOM 137 CB THR A 9 8.913 14.037 -6.723 1.00 3.51 C ATOM 138 OG1 THR A 9 9.582 13.213 -7.691 1.00 24.21 O ATOM 139 CG2 THR A 9 8.373 15.284 -7.409 1.00 32.31 C ATOM 0 H THR A 9 10.168 12.336 -5.414 1.00 50.43 H new ATOM 0 HA THR A 9 10.682 15.028 -5.995 1.00 11.00 H new ATOM 0 HB THR A 9 8.077 13.490 -6.287 1.00 3.51 H new ATOM 0 HG1 THR A 9 9.638 12.294 -7.356 1.00 24.21 H new ATOM 0 HG21 THR A 9 7.690 14.993 -8.207 1.00 32.31 H new ATOM 0 HG22 THR A 9 7.841 15.898 -6.682 1.00 32.31 H new ATOM 0 HG23 THR A 9 9.201 15.855 -7.830 1.00 32.31 H new ATOM 147 N SER A 10 8.484 14.465 -3.604 1.00 65.42 N ATOM 148 CA SER A 10 7.765 15.077 -2.496 1.00 14.20 C ATOM 149 C SER A 10 8.740 15.788 -1.559 1.00 60.34 C ATOM 150 O SER A 10 8.443 16.863 -1.038 1.00 33.45 O ATOM 151 CB SER A 10 6.967 14.017 -1.733 1.00 14.00 C ATOM 152 OG SER A 10 6.119 13.285 -2.607 1.00 11.13 O ATOM 0 H SER A 10 8.436 13.446 -3.624 1.00 65.42 H new ATOM 0 HA SER A 10 7.069 15.815 -2.896 1.00 14.20 H new ATOM 0 HB2 SER A 10 7.652 13.334 -1.230 1.00 14.00 H new ATOM 0 HB3 SER A 10 6.369 14.496 -0.958 1.00 14.00 H new ATOM 0 HG SER A 10 6.665 12.749 -3.219 1.00 11.13 H new ATOM 158 N ILE A 11 9.911 15.185 -1.361 1.00 41.21 N ATOM 159 CA ILE A 11 10.959 15.793 -0.546 1.00 43.24 C ATOM 160 C ILE A 11 11.428 17.103 -1.174 1.00 34.21 C ATOM 161 O ILE A 11 11.524 18.121 -0.494 1.00 51.11 O ATOM 162 CB ILE A 11 12.165 14.842 -0.366 1.00 63.44 C ATOM 163 CG1 ILE A 11 11.725 13.538 0.311 1.00 0.25 C ATOM 164 CG2 ILE A 11 13.266 15.515 0.444 1.00 53.04 C ATOM 165 CD1 ILE A 11 11.096 13.736 1.677 1.00 53.14 C ATOM 0 H ILE A 11 10.157 14.276 -1.754 1.00 41.21 H new ATOM 0 HA ILE A 11 10.533 15.993 0.437 1.00 43.24 H new ATOM 0 HB ILE A 11 12.562 14.604 -1.353 1.00 63.44 H new ATOM 0 HG12 ILE A 11 11.012 13.027 -0.336 1.00 0.25 H new ATOM 0 HG13 ILE A 11 12.590 12.883 0.412 1.00 0.25 H new ATOM 0 HG21 ILE A 11 14.105 14.828 0.559 1.00 53.04 H new ATOM 0 HG22 ILE A 11 13.601 16.414 -0.074 1.00 53.04 H new ATOM 0 HG23 ILE A 11 12.881 15.785 1.427 1.00 53.04 H new ATOM 0 HD11 ILE A 11 10.812 12.768 2.090 1.00 53.14 H new ATOM 0 HD12 ILE A 11 11.813 14.218 2.341 1.00 53.14 H new ATOM 0 HD13 ILE A 11 10.210 14.364 1.582 1.00 53.14 H new ATOM 177 N VAL A 12 11.696 17.070 -2.480 1.00 21.55 N ATOM 178 CA VAL A 12 12.084 18.268 -3.229 1.00 14.34 C ATOM 179 C VAL A 12 11.069 19.388 -3.007 1.00 13.44 C ATOM 180 O VAL A 12 11.429 20.513 -2.635 1.00 43.23 O ATOM 181 CB VAL A 12 12.183 17.976 -4.746 1.00 35.21 C ATOM 182 CG1 VAL A 12 12.538 19.235 -5.522 1.00 52.52 C ATOM 183 CG2 VAL A 12 13.200 16.880 -5.020 1.00 24.24 C ATOM 0 H VAL A 12 11.651 16.222 -3.045 1.00 21.55 H new ATOM 0 HA VAL A 12 13.063 18.577 -2.863 1.00 14.34 H new ATOM 0 HB VAL A 12 11.205 17.632 -5.084 1.00 35.21 H new ATOM 0 HG11 VAL A 12 12.601 19.002 -6.585 1.00 52.52 H new ATOM 0 HG12 VAL A 12 11.769 19.990 -5.361 1.00 52.52 H new ATOM 0 HG13 VAL A 12 13.499 19.617 -5.177 1.00 52.52 H new ATOM 0 HG21 VAL A 12 13.252 16.692 -6.092 1.00 24.24 H new ATOM 0 HG22 VAL A 12 14.179 17.194 -4.658 1.00 24.24 H new ATOM 0 HG23 VAL A 12 12.899 15.967 -4.506 1.00 24.24 H new ATOM 193 N ALA A 13 9.799 19.057 -3.223 1.00 44.22 N ATOM 194 CA ALA A 13 8.708 20.004 -3.034 1.00 63.42 C ATOM 195 C ALA A 13 8.713 20.567 -1.617 1.00 5.15 C ATOM 196 O ALA A 13 8.639 21.779 -1.426 1.00 60.31 O ATOM 197 CB ALA A 13 7.374 19.335 -3.334 1.00 50.45 C ATOM 0 H ALA A 13 9.500 18.132 -3.532 1.00 44.22 H new ATOM 0 HA ALA A 13 8.851 20.833 -3.727 1.00 63.42 H new ATOM 0 HB1 ALA A 13 6.566 20.053 -3.189 1.00 50.45 H new ATOM 0 HB2 ALA A 13 7.367 18.984 -4.366 1.00 50.45 H new ATOM 0 HB3 ALA A 13 7.232 18.489 -2.662 1.00 50.45 H new ATOM 203 N TRP A 14 8.821 19.679 -0.637 1.00 34.42 N ATOM 204 CA TRP A 14 8.856 20.069 0.767 1.00 42.25 C ATOM 205 C TRP A 14 10.020 21.018 1.044 1.00 70.10 C ATOM 206 O TRP A 14 9.835 22.081 1.641 1.00 3.04 O ATOM 207 CB TRP A 14 8.968 18.819 1.655 1.00 32.24 C ATOM 208 CG TRP A 14 9.161 19.119 3.113 1.00 61.43 C ATOM 209 CD1 TRP A 14 8.435 19.985 3.874 1.00 2.33 C ATOM 210 CD2 TRP A 14 10.140 18.543 3.984 1.00 1.21 C ATOM 211 NE1 TRP A 14 8.901 19.986 5.165 1.00 52.34 N ATOM 212 CE2 TRP A 14 9.949 19.110 5.259 1.00 5.51 C ATOM 213 CE3 TRP A 14 11.161 17.606 3.810 1.00 11.11 C ATOM 214 CZ2 TRP A 14 10.740 18.768 6.352 1.00 42.32 C ATOM 215 CZ3 TRP A 14 11.947 17.268 4.895 1.00 1.43 C ATOM 216 CH2 TRP A 14 11.733 17.848 6.154 1.00 73.14 C ATOM 0 H TRP A 14 8.887 18.673 -0.791 1.00 34.42 H new ATOM 0 HA TRP A 14 7.929 20.594 1.000 1.00 42.25 H new ATOM 0 HB2 TRP A 14 8.066 18.219 1.535 1.00 32.24 H new ATOM 0 HB3 TRP A 14 9.804 18.212 1.306 1.00 32.24 H new ATOM 0 HD1 TRP A 14 7.612 20.584 3.514 1.00 2.33 H new ATOM 0 HE1 TRP A 14 8.527 20.548 5.930 1.00 52.34 H new ATOM 0 HE3 TRP A 14 11.333 17.154 2.845 1.00 11.11 H new ATOM 0 HZ2 TRP A 14 10.576 19.213 7.322 1.00 42.32 H new ATOM 0 HZ3 TRP A 14 12.740 16.545 4.772 1.00 1.43 H new ATOM 0 HH2 TRP A 14 12.364 17.563 6.983 1.00 73.14 H new ATOM 227 N LEU A 15 11.206 20.640 0.587 1.00 2.10 N ATOM 228 CA LEU A 15 12.415 21.405 0.864 1.00 34.45 C ATOM 229 C LEU A 15 12.324 22.818 0.303 1.00 0.13 C ATOM 230 O LEU A 15 12.627 23.786 1.000 1.00 34.54 O ATOM 231 CB LEU A 15 13.649 20.698 0.302 1.00 11.03 C ATOM 232 CG LEU A 15 13.915 19.304 0.871 1.00 31.04 C ATOM 233 CD1 LEU A 15 15.268 18.790 0.406 1.00 61.44 C ATOM 234 CD2 LEU A 15 13.834 19.324 2.390 1.00 64.45 C ATOM 0 H LEU A 15 11.357 19.805 0.021 1.00 2.10 H new ATOM 0 HA LEU A 15 12.511 21.475 1.947 1.00 34.45 H new ATOM 0 HB2 LEU A 15 13.541 20.617 -0.780 1.00 11.03 H new ATOM 0 HB3 LEU A 15 14.523 21.322 0.489 1.00 11.03 H new ATOM 0 HG LEU A 15 13.148 18.625 0.500 1.00 31.04 H new ATOM 0 HD11 LEU A 15 15.442 17.797 0.820 1.00 61.44 H new ATOM 0 HD12 LEU A 15 15.283 18.737 -0.683 1.00 61.44 H new ATOM 0 HD13 LEU A 15 16.051 19.467 0.747 1.00 61.44 H new ATOM 0 HD21 LEU A 15 14.026 18.324 2.778 1.00 64.45 H new ATOM 0 HD22 LEU A 15 14.578 20.015 2.785 1.00 64.45 H new ATOM 0 HD23 LEU A 15 12.839 19.648 2.697 1.00 64.45 H new ATOM 246 N ARG A 16 11.897 22.941 -0.949 1.00 2.41 N ATOM 247 CA ARG A 16 11.786 24.262 -1.558 1.00 31.15 C ATOM 248 C ARG A 16 10.631 25.047 -0.938 1.00 5.31 C ATOM 249 O ARG A 16 10.729 26.257 -0.742 1.00 11.03 O ATOM 250 CB ARG A 16 11.634 24.169 -3.083 1.00 12.41 C ATOM 251 CG ARG A 16 10.401 23.419 -3.553 1.00 75.42 C ATOM 252 CD ARG A 16 10.363 23.324 -5.068 1.00 13.34 C ATOM 253 NE ARG A 16 9.203 22.576 -5.546 1.00 41.44 N ATOM 254 CZ ARG A 16 9.137 21.986 -6.740 1.00 71.15 C ATOM 255 NH1 ARG A 16 10.143 22.095 -7.598 1.00 44.40 N ATOM 256 NH2 ARG A 16 8.054 21.299 -7.080 1.00 61.31 N ATOM 0 H ARG A 16 11.628 22.162 -1.550 1.00 2.41 H new ATOM 0 HA ARG A 16 12.712 24.800 -1.356 1.00 31.15 H new ATOM 0 HB2 ARG A 16 11.607 25.178 -3.494 1.00 12.41 H new ATOM 0 HB3 ARG A 16 12.518 23.681 -3.493 1.00 12.41 H new ATOM 0 HG2 ARG A 16 10.395 22.418 -3.123 1.00 75.42 H new ATOM 0 HG3 ARG A 16 9.505 23.926 -3.195 1.00 75.42 H new ATOM 0 HD2 ARG A 16 10.346 24.328 -5.493 1.00 13.34 H new ATOM 0 HD3 ARG A 16 11.275 22.843 -5.423 1.00 13.34 H new ATOM 0 HE ARG A 16 8.394 22.500 -4.929 1.00 41.44 H new ATOM 0 HH11 ARG A 16 10.973 22.632 -7.346 1.00 44.40 H new ATOM 0 HH12 ARG A 16 10.087 21.641 -8.510 1.00 44.40 H new ATOM 0 HH21 ARG A 16 7.273 21.223 -6.428 1.00 61.31 H new ATOM 0 HH22 ARG A 16 8.002 20.847 -7.993 1.00 61.31 H new ATOM 270 N ALA A 17 9.553 24.349 -0.589 1.00 2.12 N ATOM 271 CA ALA A 17 8.402 24.986 0.042 1.00 33.54 C ATOM 272 C ALA A 17 8.774 25.526 1.419 1.00 24.54 C ATOM 273 O ALA A 17 8.186 26.499 1.894 1.00 1.33 O ATOM 274 CB ALA A 17 7.239 24.012 0.156 1.00 34.13 C ATOM 0 H ALA A 17 9.453 23.344 -0.732 1.00 2.12 H new ATOM 0 HA ALA A 17 8.092 25.820 -0.587 1.00 33.54 H new ATOM 0 HB1 ALA A 17 6.393 24.510 0.629 1.00 34.13 H new ATOM 0 HB2 ALA A 17 6.950 23.672 -0.839 1.00 34.13 H new ATOM 0 HB3 ALA A 17 7.540 23.155 0.759 1.00 34.13 H new ATOM 280 N GLY A 18 9.746 24.882 2.053 1.00 51.14 N ATOM 281 CA GLY A 18 10.237 25.340 3.336 1.00 30.22 C ATOM 282 C GLY A 18 11.015 26.638 3.234 1.00 44.24 C ATOM 283 O GLY A 18 11.056 27.415 4.186 1.00 11.14 O ATOM 0 H GLY A 18 10.205 24.044 1.697 1.00 51.14 H new ATOM 0 HA2 GLY A 18 9.395 25.478 4.015 1.00 30.22 H new ATOM 0 HA3 GLY A 18 10.875 24.571 3.772 1.00 30.22 H new ATOM 287 N TYR A 19 11.621 26.885 2.077 1.00 34.05 N ATOM 288 CA TYR A 19 12.407 28.095 1.879 1.00 45.12 C ATOM 289 C TYR A 19 12.121 28.720 0.519 1.00 10.22 C ATOM 290 O TYR A 19 12.912 28.584 -0.416 1.00 41.13 O ATOM 291 CB TYR A 19 13.910 27.817 2.021 1.00 74.13 C ATOM 292 CG TYR A 19 14.388 27.717 3.454 1.00 10.41 C ATOM 293 CD1 TYR A 19 14.677 28.863 4.187 1.00 25.43 C ATOM 294 CD2 TYR A 19 14.550 26.485 4.075 1.00 61.34 C ATOM 295 CE1 TYR A 19 15.113 28.784 5.495 1.00 22.44 C ATOM 296 CE2 TYR A 19 14.983 26.398 5.384 1.00 73.24 C ATOM 297 CZ TYR A 19 15.264 27.550 6.090 1.00 34.14 C ATOM 298 OH TYR A 19 15.689 27.466 7.396 1.00 52.11 O ATOM 0 H TYR A 19 11.583 26.266 1.267 1.00 34.05 H new ATOM 0 HA TYR A 19 12.112 28.800 2.657 1.00 45.12 H new ATOM 0 HB2 TYR A 19 14.147 26.887 1.505 1.00 74.13 H new ATOM 0 HB3 TYR A 19 14.464 28.610 1.519 1.00 74.13 H new ATOM 0 HD1 TYR A 19 14.558 29.832 3.725 1.00 25.43 H new ATOM 0 HD2 TYR A 19 14.334 25.581 3.526 1.00 61.34 H new ATOM 0 HE1 TYR A 19 15.334 29.684 6.049 1.00 22.44 H new ATOM 0 HE2 TYR A 19 15.101 25.432 5.853 1.00 73.24 H new ATOM 0 HH TYR A 19 15.393 28.260 7.888 1.00 52.11 H new ATOM 308 N PRO A 20 10.981 29.419 0.388 1.00 2.25 N ATOM 309 CA PRO A 20 10.610 30.089 -0.861 1.00 33.00 C ATOM 310 C PRO A 20 11.433 31.355 -1.086 1.00 63.40 C ATOM 311 O PRO A 20 11.308 32.029 -2.110 1.00 22.41 O ATOM 312 CB PRO A 20 9.133 30.429 -0.654 1.00 62.04 C ATOM 313 CG PRO A 20 8.975 30.560 0.822 1.00 43.04 C ATOM 314 CD PRO A 20 9.964 29.606 1.441 1.00 11.52 C ATOM 0 HA PRO A 20 10.791 29.468 -1.739 1.00 33.00 H new ATOM 0 HB2 PRO A 20 8.865 31.354 -1.164 1.00 62.04 H new ATOM 0 HB3 PRO A 20 8.487 29.647 -1.053 1.00 62.04 H new ATOM 0 HG2 PRO A 20 9.168 31.583 1.144 1.00 43.04 H new ATOM 0 HG3 PRO A 20 7.957 30.317 1.127 1.00 43.04 H new ATOM 0 HD2 PRO A 20 10.401 30.018 2.351 1.00 11.52 H new ATOM 0 HD3 PRO A 20 9.492 28.662 1.713 1.00 11.52 H new ATOM 322 N GLU A 21 12.270 31.669 -0.108 1.00 2.11 N ATOM 323 CA GLU A 21 13.144 32.828 -0.170 1.00 73.24 C ATOM 324 C GLU A 21 14.573 32.395 -0.484 1.00 20.44 C ATOM 325 O GLU A 21 15.490 33.217 -0.544 1.00 40.30 O ATOM 326 CB GLU A 21 13.098 33.571 1.168 1.00 43.24 C ATOM 327 CG GLU A 21 13.508 32.707 2.351 1.00 22.23 C ATOM 328 CD GLU A 21 13.266 33.378 3.686 1.00 20.12 C ATOM 329 OE1 GLU A 21 14.086 34.227 4.094 1.00 52.40 O ATOM 330 OE2 GLU A 21 12.262 33.045 4.346 1.00 51.00 O ATOM 0 H GLU A 21 12.361 31.126 0.751 1.00 2.11 H new ATOM 0 HA GLU A 21 12.804 33.493 -0.963 1.00 73.24 H new ATOM 0 HB2 GLU A 21 13.755 34.439 1.116 1.00 43.24 H new ATOM 0 HB3 GLU A 21 12.088 33.945 1.333 1.00 43.24 H new ATOM 0 HG2 GLU A 21 12.955 31.768 2.317 1.00 22.23 H new ATOM 0 HG3 GLU A 21 14.565 32.458 2.262 1.00 22.23 H new ATOM 337 N GLY A 22 14.752 31.096 -0.687 1.00 34.52 N ATOM 338 CA GLY A 22 16.075 30.558 -0.924 1.00 33.44 C ATOM 339 C GLY A 22 16.639 29.904 0.319 1.00 53.53 C ATOM 340 O GLY A 22 16.196 30.197 1.430 1.00 11.30 O ATOM 0 H GLY A 22 14.002 30.405 -0.691 1.00 34.52 H new ATOM 0 HA2 GLY A 22 16.033 29.829 -1.733 1.00 33.44 H new ATOM 0 HA3 GLY A 22 16.741 31.357 -1.250 1.00 33.44 H new ATOM 344 N ILE A 23 17.609 29.019 0.143 1.00 21.02 N ATOM 345 CA ILE A 23 18.201 28.309 1.269 1.00 2.44 C ATOM 346 C ILE A 23 19.513 28.965 1.686 1.00 35.10 C ATOM 347 O ILE A 23 20.502 28.904 0.959 1.00 4.14 O ATOM 348 CB ILE A 23 18.462 26.816 0.954 1.00 73.03 C ATOM 349 CG1 ILE A 23 17.158 26.073 0.619 1.00 44.05 C ATOM 350 CG2 ILE A 23 19.163 26.143 2.127 1.00 11.14 C ATOM 351 CD1 ILE A 23 16.662 26.298 -0.796 1.00 33.31 C ATOM 0 H ILE A 23 18.003 28.775 -0.766 1.00 21.02 H new ATOM 0 HA ILE A 23 17.479 28.363 2.084 1.00 2.44 H new ATOM 0 HB ILE A 23 19.108 26.770 0.077 1.00 73.03 H new ATOM 0 HG12 ILE A 23 17.311 25.005 0.773 1.00 44.05 H new ATOM 0 HG13 ILE A 23 16.383 26.388 1.318 1.00 44.05 H new ATOM 0 HG21 ILE A 23 19.340 25.094 1.892 1.00 11.14 H new ATOM 0 HG22 ILE A 23 20.115 26.639 2.315 1.00 11.14 H new ATOM 0 HG23 ILE A 23 18.536 26.215 3.015 1.00 11.14 H new ATOM 0 HD11 ILE A 23 15.739 25.740 -0.951 1.00 33.31 H new ATOM 0 HD12 ILE A 23 16.474 27.360 -0.951 1.00 33.31 H new ATOM 0 HD13 ILE A 23 17.416 25.956 -1.505 1.00 33.31 H new ATOM 363 N PRO A 24 19.523 29.616 2.857 1.00 3.32 N ATOM 364 CA PRO A 24 20.714 30.294 3.389 1.00 71.45 C ATOM 365 C PRO A 24 21.883 29.338 3.643 1.00 31.25 C ATOM 366 O PRO A 24 21.681 28.167 3.980 1.00 10.15 O ATOM 367 CB PRO A 24 20.232 30.896 4.712 1.00 34.22 C ATOM 368 CG PRO A 24 18.744 30.912 4.626 1.00 32.44 C ATOM 369 CD PRO A 24 18.363 29.759 3.747 1.00 74.45 C ATOM 0 HA PRO A 24 21.097 31.028 2.681 1.00 71.45 H new ATOM 0 HB2 PRO A 24 20.569 30.300 5.560 1.00 34.22 H new ATOM 0 HB3 PRO A 24 20.627 31.902 4.852 1.00 34.22 H new ATOM 0 HG2 PRO A 24 18.296 30.812 5.615 1.00 32.44 H new ATOM 0 HG3 PRO A 24 18.388 31.854 4.208 1.00 32.44 H new ATOM 0 HD2 PRO A 24 18.186 28.853 4.326 1.00 74.45 H new ATOM 0 HD3 PRO A 24 17.450 29.964 3.188 1.00 74.45 H new ATOM 377 N PRO A 25 23.125 29.838 3.500 1.00 35.02 N ATOM 378 CA PRO A 25 24.341 29.031 3.677 1.00 12.04 C ATOM 379 C PRO A 25 24.475 28.467 5.089 1.00 11.40 C ATOM 380 O PRO A 25 24.850 27.309 5.272 1.00 22.20 O ATOM 381 CB PRO A 25 25.483 30.017 3.393 1.00 2.20 C ATOM 382 CG PRO A 25 24.855 31.141 2.645 1.00 24.32 C ATOM 383 CD PRO A 25 23.441 31.229 3.140 1.00 72.20 C ATOM 0 HA PRO A 25 24.336 28.161 3.021 1.00 12.04 H new ATOM 0 HB2 PRO A 25 25.940 30.367 4.319 1.00 2.20 H new ATOM 0 HB3 PRO A 25 26.272 29.547 2.806 1.00 2.20 H new ATOM 0 HG2 PRO A 25 25.389 32.074 2.823 1.00 24.32 H new ATOM 0 HG3 PRO A 25 24.882 30.958 1.571 1.00 24.32 H new ATOM 0 HD2 PRO A 25 23.355 31.897 3.997 1.00 72.20 H new ATOM 0 HD3 PRO A 25 22.768 31.609 2.371 1.00 72.20 H new ATOM 391 N THR A 26 24.172 29.290 6.083 1.00 51.12 N ATOM 392 CA THR A 26 24.266 28.874 7.474 1.00 71.04 C ATOM 393 C THR A 26 23.225 27.803 7.795 1.00 51.20 C ATOM 394 O THR A 26 23.533 26.791 8.432 1.00 74.44 O ATOM 395 CB THR A 26 24.080 30.081 8.414 1.00 21.22 C ATOM 396 OG1 THR A 26 25.015 31.110 8.058 1.00 52.23 O ATOM 397 CG2 THR A 26 24.284 29.683 9.870 1.00 51.12 C ATOM 0 H THR A 26 23.858 30.252 5.951 1.00 51.12 H new ATOM 0 HA THR A 26 25.259 28.452 7.630 1.00 71.04 H new ATOM 0 HB THR A 26 23.060 30.450 8.304 1.00 21.22 H new ATOM 0 HG1 THR A 26 24.897 31.879 8.654 1.00 52.23 H new ATOM 0 HG21 THR A 26 24.146 30.556 10.508 1.00 51.12 H new ATOM 0 HG22 THR A 26 23.559 28.916 10.142 1.00 51.12 H new ATOM 0 HG23 THR A 26 25.293 29.292 10.002 1.00 51.12 H new ATOM 405 N ASP A 27 22.004 28.014 7.317 1.00 40.23 N ATOM 406 CA ASP A 27 20.904 27.094 7.588 1.00 64.21 C ATOM 407 C ASP A 27 21.074 25.793 6.816 1.00 23.45 C ATOM 408 O ASP A 27 20.391 24.809 7.090 1.00 13.20 O ATOM 409 CB ASP A 27 19.564 27.741 7.239 1.00 62.14 C ATOM 410 CG ASP A 27 19.287 28.972 8.076 1.00 1.21 C ATOM 411 OD1 ASP A 27 19.741 30.066 7.685 1.00 22.33 O ATOM 412 OD2 ASP A 27 18.618 28.852 9.124 1.00 12.42 O ATOM 0 H ASP A 27 21.750 28.815 6.739 1.00 40.23 H new ATOM 0 HA ASP A 27 20.917 26.864 8.653 1.00 64.21 H new ATOM 0 HB2 ASP A 27 19.558 28.013 6.183 1.00 62.14 H new ATOM 0 HB3 ASP A 27 18.763 27.016 7.386 1.00 62.14 H new ATOM 417 N SER A 28 21.986 25.792 5.851 1.00 54.23 N ATOM 418 CA SER A 28 22.311 24.583 5.107 1.00 53.34 C ATOM 419 C SER A 28 22.835 23.509 6.059 1.00 42.43 C ATOM 420 O SER A 28 22.493 22.331 5.936 1.00 42.13 O ATOM 421 CB SER A 28 23.347 24.894 4.021 1.00 4.45 C ATOM 422 OG SER A 28 23.624 23.756 3.224 1.00 12.42 O ATOM 0 H SER A 28 22.514 26.617 5.566 1.00 54.23 H new ATOM 0 HA SER A 28 21.408 24.208 4.624 1.00 53.34 H new ATOM 0 HB2 SER A 28 22.980 25.702 3.388 1.00 4.45 H new ATOM 0 HB3 SER A 28 24.268 25.246 4.486 1.00 4.45 H new ATOM 0 HG SER A 28 24.287 23.989 2.541 1.00 12.42 H new ATOM 428 N PHE A 29 23.641 23.930 7.032 1.00 42.55 N ATOM 429 CA PHE A 29 24.169 23.017 8.037 1.00 4.12 C ATOM 430 C PHE A 29 23.043 22.501 8.928 1.00 35.43 C ATOM 431 O PHE A 29 23.055 21.349 9.366 1.00 12.15 O ATOM 432 CB PHE A 29 25.236 23.712 8.888 1.00 33.34 C ATOM 433 CG PHE A 29 26.497 24.051 8.142 1.00 34.33 C ATOM 434 CD1 PHE A 29 26.552 25.150 7.302 1.00 60.53 C ATOM 435 CD2 PHE A 29 27.635 23.273 8.296 1.00 24.54 C ATOM 436 CE1 PHE A 29 27.716 25.469 6.628 1.00 42.44 C ATOM 437 CE2 PHE A 29 28.800 23.586 7.624 1.00 25.20 C ATOM 438 CZ PHE A 29 28.841 24.685 6.789 1.00 14.20 C ATOM 0 H PHE A 29 23.941 24.898 7.143 1.00 42.55 H new ATOM 0 HA PHE A 29 24.629 22.172 7.525 1.00 4.12 H new ATOM 0 HB2 PHE A 29 24.815 24.628 9.301 1.00 33.34 H new ATOM 0 HB3 PHE A 29 25.488 23.068 9.731 1.00 33.34 H new ATOM 0 HD1 PHE A 29 25.674 25.766 7.172 1.00 60.53 H new ATOM 0 HD2 PHE A 29 27.610 22.413 8.949 1.00 24.54 H new ATOM 0 HE1 PHE A 29 27.745 26.330 5.977 1.00 42.44 H new ATOM 0 HE2 PHE A 29 29.679 22.971 7.751 1.00 25.20 H new ATOM 0 HZ PHE A 29 29.752 24.931 6.263 1.00 14.20 H new ATOM 448 N ALA A 30 22.069 23.364 9.190 1.00 14.21 N ATOM 449 CA ALA A 30 20.894 22.986 9.961 1.00 35.22 C ATOM 450 C ALA A 30 20.088 21.934 9.209 1.00 13.34 C ATOM 451 O ALA A 30 19.663 20.931 9.787 1.00 31.42 O ATOM 452 CB ALA A 30 20.040 24.207 10.250 1.00 43.15 C ATOM 0 H ALA A 30 22.071 24.335 8.877 1.00 14.21 H new ATOM 0 HA ALA A 30 21.218 22.560 10.910 1.00 35.22 H new ATOM 0 HB1 ALA A 30 19.164 23.910 10.827 1.00 43.15 H new ATOM 0 HB2 ALA A 30 20.622 24.931 10.820 1.00 43.15 H new ATOM 0 HB3 ALA A 30 19.720 24.658 9.311 1.00 43.15 H new ATOM 458 N VAL A 31 19.894 22.171 7.913 1.00 22.11 N ATOM 459 CA VAL A 31 19.244 21.205 7.036 1.00 35.35 C ATOM 460 C VAL A 31 20.000 19.881 7.069 1.00 24.34 C ATOM 461 O VAL A 31 19.398 18.815 7.178 1.00 23.22 O ATOM 462 CB VAL A 31 19.169 21.723 5.578 1.00 1.31 C ATOM 463 CG1 VAL A 31 18.597 20.666 4.645 1.00 65.31 C ATOM 464 CG2 VAL A 31 18.338 22.996 5.505 1.00 4.31 C ATOM 0 H VAL A 31 20.181 23.031 7.446 1.00 22.11 H new ATOM 0 HA VAL A 31 18.226 21.058 7.398 1.00 35.35 H new ATOM 0 HB VAL A 31 20.185 21.947 5.252 1.00 1.31 H new ATOM 0 HG11 VAL A 31 18.557 21.060 3.630 1.00 65.31 H new ATOM 0 HG12 VAL A 31 19.232 19.780 4.666 1.00 65.31 H new ATOM 0 HG13 VAL A 31 17.591 20.399 4.970 1.00 65.31 H new ATOM 0 HG21 VAL A 31 18.297 23.345 4.473 1.00 4.31 H new ATOM 0 HG22 VAL A 31 17.328 22.792 5.860 1.00 4.31 H new ATOM 0 HG23 VAL A 31 18.794 23.764 6.130 1.00 4.31 H new ATOM 474 N LEU A 32 21.323 19.968 6.994 1.00 10.50 N ATOM 475 CA LEU A 32 22.186 18.796 7.081 1.00 25.41 C ATOM 476 C LEU A 32 21.905 17.994 8.351 1.00 40.04 C ATOM 477 O LEU A 32 21.677 16.781 8.294 1.00 73.03 O ATOM 478 CB LEU A 32 23.650 19.259 7.063 1.00 30.42 C ATOM 479 CG LEU A 32 24.659 18.317 7.725 1.00 42.24 C ATOM 480 CD1 LEU A 32 24.845 17.054 6.905 1.00 63.55 C ATOM 481 CD2 LEU A 32 25.986 19.029 7.930 1.00 45.32 C ATOM 0 H LEU A 32 21.825 20.847 6.872 1.00 10.50 H new ATOM 0 HA LEU A 32 21.987 18.145 6.229 1.00 25.41 H new ATOM 0 HB2 LEU A 32 23.950 19.410 6.026 1.00 30.42 H new ATOM 0 HB3 LEU A 32 23.710 20.229 7.557 1.00 30.42 H new ATOM 0 HG LEU A 32 24.268 18.025 8.699 1.00 42.24 H new ATOM 0 HD11 LEU A 32 25.567 16.403 7.398 1.00 63.55 H new ATOM 0 HD12 LEU A 32 23.891 16.535 6.815 1.00 63.55 H new ATOM 0 HD13 LEU A 32 25.211 17.315 5.912 1.00 63.55 H new ATOM 0 HD21 LEU A 32 26.695 18.348 8.402 1.00 45.32 H new ATOM 0 HD22 LEU A 32 26.379 19.351 6.966 1.00 45.32 H new ATOM 0 HD23 LEU A 32 25.837 19.899 8.570 1.00 45.32 H new ATOM 493 N ALA A 33 21.866 18.684 9.485 1.00 25.31 N ATOM 494 CA ALA A 33 21.670 18.033 10.772 1.00 12.22 C ATOM 495 C ALA A 33 20.302 17.372 10.848 1.00 4.10 C ATOM 496 O ALA A 33 20.166 16.258 11.351 1.00 40.14 O ATOM 497 CB ALA A 33 21.838 19.035 11.902 1.00 3.22 C ATOM 0 H ALA A 33 21.968 19.698 9.538 1.00 25.31 H new ATOM 0 HA ALA A 33 22.427 17.255 10.877 1.00 12.22 H new ATOM 0 HB1 ALA A 33 21.689 18.534 12.858 1.00 3.22 H new ATOM 0 HB2 ALA A 33 22.842 19.458 11.867 1.00 3.22 H new ATOM 0 HB3 ALA A 33 21.104 19.833 11.792 1.00 3.22 H new ATOM 503 N LEU A 34 19.299 18.064 10.330 1.00 53.14 N ATOM 504 CA LEU A 34 17.932 17.569 10.345 1.00 63.15 C ATOM 505 C LEU A 34 17.762 16.396 9.386 1.00 74.13 C ATOM 506 O LEU A 34 17.268 15.332 9.765 1.00 75.13 O ATOM 507 CB LEU A 34 16.970 18.690 9.953 1.00 2.44 C ATOM 508 CG LEU A 34 15.487 18.336 10.020 1.00 20.15 C ATOM 509 CD1 LEU A 34 15.069 18.080 11.459 1.00 40.53 C ATOM 510 CD2 LEU A 34 14.655 19.447 9.400 1.00 2.14 C ATOM 0 H LEU A 34 19.408 18.978 9.890 1.00 53.14 H new ATOM 0 HA LEU A 34 17.707 17.226 11.355 1.00 63.15 H new ATOM 0 HB2 LEU A 34 17.151 19.545 10.604 1.00 2.44 H new ATOM 0 HB3 LEU A 34 17.204 19.008 8.937 1.00 2.44 H new ATOM 0 HG LEU A 34 15.315 17.422 9.451 1.00 20.15 H new ATOM 0 HD11 LEU A 34 14.009 17.829 11.491 1.00 40.53 H new ATOM 0 HD12 LEU A 34 15.650 17.252 11.865 1.00 40.53 H new ATOM 0 HD13 LEU A 34 15.248 18.975 12.055 1.00 40.53 H new ATOM 0 HD21 LEU A 34 13.599 19.184 9.453 1.00 2.14 H new ATOM 0 HD22 LEU A 34 14.825 20.376 9.944 1.00 2.14 H new ATOM 0 HD23 LEU A 34 14.944 19.579 8.357 1.00 2.14 H new ATOM 522 N LEU A 35 18.190 16.592 8.146 1.00 33.13 N ATOM 523 CA LEU A 35 17.962 15.613 7.093 1.00 40.52 C ATOM 524 C LEU A 35 18.773 14.340 7.307 1.00 5.24 C ATOM 525 O LEU A 35 18.350 13.265 6.882 1.00 72.35 O ATOM 526 CB LEU A 35 18.252 16.214 5.715 1.00 55.52 C ATOM 527 CG LEU A 35 17.049 16.871 5.018 1.00 3.21 C ATOM 528 CD1 LEU A 35 15.968 15.840 4.739 1.00 51.22 C ATOM 529 CD2 LEU A 35 16.485 18.013 5.854 1.00 64.40 C ATOM 0 H LEU A 35 18.699 17.423 7.845 1.00 33.13 H new ATOM 0 HA LEU A 35 16.908 15.337 7.137 1.00 40.52 H new ATOM 0 HB2 LEU A 35 19.041 16.959 5.820 1.00 55.52 H new ATOM 0 HB3 LEU A 35 18.641 15.427 5.068 1.00 55.52 H new ATOM 0 HG LEU A 35 17.395 17.283 4.070 1.00 3.21 H new ATOM 0 HD11 LEU A 35 15.124 16.322 4.246 1.00 51.22 H new ATOM 0 HD12 LEU A 35 16.368 15.059 4.093 1.00 51.22 H new ATOM 0 HD13 LEU A 35 15.635 15.399 5.678 1.00 51.22 H new ATOM 0 HD21 LEU A 35 15.636 18.458 5.336 1.00 64.40 H new ATOM 0 HD22 LEU A 35 16.160 17.630 6.821 1.00 64.40 H new ATOM 0 HD23 LEU A 35 17.256 18.769 6.004 1.00 64.40 H new ATOM 541 N CYS A 36 19.927 14.446 7.969 1.00 33.14 N ATOM 542 CA CYS A 36 20.713 13.256 8.321 1.00 11.42 C ATOM 543 C CYS A 36 19.899 12.281 9.167 1.00 12.21 C ATOM 544 O CYS A 36 20.140 11.074 9.157 1.00 70.34 O ATOM 545 CB CYS A 36 21.975 13.647 9.086 1.00 4.50 C ATOM 546 SG CYS A 36 23.271 14.364 8.057 1.00 54.32 S ATOM 0 H CYS A 36 20.336 15.330 8.270 1.00 33.14 H new ATOM 0 HA CYS A 36 20.990 12.767 7.387 1.00 11.42 H new ATOM 0 HB2 CYS A 36 21.708 14.362 9.864 1.00 4.50 H new ATOM 0 HB3 CYS A 36 22.371 12.764 9.587 1.00 4.50 H new ATOM 0 HG CYS A 36 23.059 15.639 7.918 1.00 54.32 H new ATOM 552 N ARG A 37 18.925 12.814 9.885 1.00 51.20 N ATOM 553 CA ARG A 37 18.118 12.020 10.796 1.00 34.43 C ATOM 554 C ARG A 37 16.962 11.354 10.059 1.00 14.35 C ATOM 555 O ARG A 37 16.162 10.635 10.660 1.00 42.53 O ATOM 556 CB ARG A 37 17.600 12.894 11.934 1.00 32.30 C ATOM 557 CG ARG A 37 18.702 13.675 12.632 1.00 43.23 C ATOM 558 CD ARG A 37 18.171 14.456 13.822 1.00 5.05 C ATOM 559 NE ARG A 37 19.222 15.241 14.467 1.00 43.43 N ATOM 560 CZ ARG A 37 19.088 15.853 15.642 1.00 2.44 C ATOM 561 NH1 ARG A 37 17.940 15.784 16.304 1.00 61.42 N ATOM 562 NH2 ARG A 37 20.107 16.538 16.149 1.00 55.24 N ATOM 0 H ARG A 37 18.673 13.802 9.854 1.00 51.20 H new ATOM 0 HA ARG A 37 18.744 11.233 11.216 1.00 34.43 H new ATOM 0 HB2 ARG A 37 16.861 13.592 11.541 1.00 32.30 H new ATOM 0 HB3 ARG A 37 17.089 12.266 12.664 1.00 32.30 H new ATOM 0 HG2 ARG A 37 19.480 12.988 12.966 1.00 43.23 H new ATOM 0 HG3 ARG A 37 19.166 14.362 11.924 1.00 43.23 H new ATOM 0 HD2 ARG A 37 17.371 15.120 13.494 1.00 5.05 H new ATOM 0 HD3 ARG A 37 17.736 13.766 14.545 1.00 5.05 H new ATOM 0 HE ARG A 37 20.117 15.326 13.985 1.00 43.43 H new ATOM 0 HH11 ARG A 37 17.156 15.261 15.913 1.00 61.42 H new ATOM 0 HH12 ARG A 37 17.841 16.254 17.204 1.00 61.42 H new ATOM 0 HH21 ARG A 37 20.988 16.594 15.638 1.00 55.24 H new ATOM 0 HH22 ARG A 37 20.008 17.008 17.049 1.00 55.24 H new ATOM 576 N ARG A 38 16.861 11.610 8.761 1.00 2.53 N ATOM 577 CA ARG A 38 15.804 11.020 7.954 1.00 2.05 C ATOM 578 C ARG A 38 16.389 10.258 6.765 1.00 61.41 C ATOM 579 O ARG A 38 15.918 9.176 6.420 1.00 11.31 O ATOM 580 CB ARG A 38 14.834 12.105 7.471 1.00 23.14 C ATOM 581 CG ARG A 38 13.543 11.560 6.874 1.00 24.55 C ATOM 582 CD ARG A 38 12.908 10.533 7.797 1.00 5.44 C ATOM 583 NE ARG A 38 11.520 10.226 7.441 1.00 52.14 N ATOM 584 CZ ARG A 38 10.944 9.041 7.656 1.00 24.15 C ATOM 585 NH1 ARG A 38 11.655 8.032 8.135 1.00 53.54 N ATOM 586 NH2 ARG A 38 9.656 8.862 7.387 1.00 25.01 N ATOM 0 H ARG A 38 17.496 12.220 8.247 1.00 2.53 H new ATOM 0 HA ARG A 38 15.255 10.312 8.574 1.00 2.05 H new ATOM 0 HB2 ARG A 38 14.588 12.757 8.309 1.00 23.14 H new ATOM 0 HB3 ARG A 38 15.336 12.721 6.725 1.00 23.14 H new ATOM 0 HG2 ARG A 38 12.845 12.379 6.700 1.00 24.55 H new ATOM 0 HG3 ARG A 38 13.750 11.105 5.905 1.00 24.55 H new ATOM 0 HD2 ARG A 38 13.496 9.616 7.770 1.00 5.44 H new ATOM 0 HD3 ARG A 38 12.941 10.903 8.822 1.00 5.44 H new ATOM 0 HE ARG A 38 10.962 10.960 7.004 1.00 52.14 H new ATOM 0 HH11 ARG A 38 12.646 8.159 8.341 1.00 53.54 H new ATOM 0 HH12 ARG A 38 11.212 7.128 8.298 1.00 53.54 H new ATOM 0 HH21 ARG A 38 9.101 9.632 7.014 1.00 25.01 H new ATOM 0 HH22 ARG A 38 9.222 7.954 7.553 1.00 25.01 H new ATOM 600 N LEU A 39 17.419 10.822 6.150 1.00 65.23 N ATOM 601 CA LEU A 39 18.051 10.208 4.989 1.00 20.15 C ATOM 602 C LEU A 39 19.571 10.261 5.120 1.00 65.21 C ATOM 603 O LEU A 39 20.092 10.865 6.058 1.00 43.15 O ATOM 604 CB LEU A 39 17.597 10.915 3.710 1.00 10.31 C ATOM 605 CG LEU A 39 16.114 10.747 3.371 1.00 51.21 C ATOM 606 CD1 LEU A 39 15.721 11.668 2.226 1.00 2.22 C ATOM 607 CD2 LEU A 39 15.813 9.299 3.011 1.00 20.33 C ATOM 0 H LEU A 39 17.837 11.707 6.437 1.00 65.23 H new ATOM 0 HA LEU A 39 17.749 9.162 4.936 1.00 20.15 H new ATOM 0 HB2 LEU A 39 17.815 11.979 3.804 1.00 10.31 H new ATOM 0 HB3 LEU A 39 18.190 10.541 2.876 1.00 10.31 H new ATOM 0 HG LEU A 39 15.527 11.017 4.249 1.00 51.21 H new ATOM 0 HD11 LEU A 39 14.663 11.535 1.999 1.00 2.22 H new ATOM 0 HD12 LEU A 39 15.903 12.704 2.513 1.00 2.22 H new ATOM 0 HD13 LEU A 39 16.315 11.426 1.344 1.00 2.22 H new ATOM 0 HD21 LEU A 39 14.754 9.196 2.773 1.00 20.33 H new ATOM 0 HD22 LEU A 39 16.410 9.007 2.147 1.00 20.33 H new ATOM 0 HD23 LEU A 39 16.059 8.655 3.856 1.00 20.33 H new ATOM 619 N SER A 40 20.276 9.621 4.196 1.00 0.33 N ATOM 620 CA SER A 40 21.729 9.579 4.242 1.00 2.24 C ATOM 621 C SER A 40 22.339 10.689 3.382 1.00 60.02 C ATOM 622 O SER A 40 21.630 11.410 2.659 1.00 20.13 O ATOM 623 CB SER A 40 22.228 8.202 3.783 1.00 31.30 C ATOM 624 OG SER A 40 23.639 8.083 3.912 1.00 44.04 O ATOM 0 H SER A 40 19.864 9.124 3.406 1.00 0.33 H new ATOM 0 HA SER A 40 22.047 9.744 5.271 1.00 2.24 H new ATOM 0 HB2 SER A 40 21.742 7.424 4.372 1.00 31.30 H new ATOM 0 HB3 SER A 40 21.943 8.040 2.744 1.00 31.30 H new ATOM 0 HG SER A 40 23.921 7.194 3.612 1.00 44.04 H new ATOM 630 N HIS A 41 23.665 10.805 3.456 1.00 13.31 N ATOM 631 CA HIS A 41 24.396 11.865 2.771 1.00 75.25 C ATOM 632 C HIS A 41 24.215 11.782 1.259 1.00 41.11 C ATOM 633 O HIS A 41 24.289 12.792 0.569 1.00 41.13 O ATOM 634 CB HIS A 41 25.894 11.832 3.130 1.00 10.05 C ATOM 635 CG HIS A 41 26.649 10.640 2.611 1.00 74.22 C ATOM 636 ND1 HIS A 41 26.811 9.480 3.331 1.00 64.11 N ATOM 637 CD2 HIS A 41 27.301 10.443 1.439 1.00 31.41 C ATOM 638 CE1 HIS A 41 27.530 8.623 2.631 1.00 64.54 C ATOM 639 NE2 HIS A 41 27.838 9.183 1.479 1.00 43.23 N ATOM 0 H HIS A 41 24.258 10.169 3.990 1.00 13.31 H new ATOM 0 HA HIS A 41 23.980 12.813 3.112 1.00 75.25 H new ATOM 0 HB2 HIS A 41 26.364 12.736 2.744 1.00 10.05 H new ATOM 0 HB3 HIS A 41 25.992 11.860 4.215 1.00 10.05 H new ATOM 0 HD2 HIS A 41 27.382 11.148 0.625 1.00 31.41 H new ATOM 0 HE1 HIS A 41 27.817 7.631 2.948 1.00 64.54 H new ATOM 0 HE2 HIS A 41 28.387 8.749 0.737 1.00 43.23 H new ATOM 648 N ASP A 42 23.974 10.584 0.744 1.00 23.54 N ATOM 649 CA ASP A 42 23.771 10.415 -0.688 1.00 0.05 C ATOM 650 C ASP A 42 22.414 10.945 -1.107 1.00 12.44 C ATOM 651 O ASP A 42 22.308 11.670 -2.092 1.00 21.11 O ATOM 652 CB ASP A 42 23.922 8.956 -1.107 1.00 61.05 C ATOM 653 CG ASP A 42 25.350 8.616 -1.463 1.00 60.32 C ATOM 654 OD1 ASP A 42 25.769 8.925 -2.599 1.00 63.43 O ATOM 655 OD2 ASP A 42 26.061 8.048 -0.611 1.00 11.00 O ATOM 0 H ASP A 42 23.915 9.724 1.289 1.00 23.54 H new ATOM 0 HA ASP A 42 24.543 10.992 -1.196 1.00 0.05 H new ATOM 0 HB2 ASP A 42 23.586 8.309 -0.296 1.00 61.05 H new ATOM 0 HB3 ASP A 42 23.277 8.756 -1.963 1.00 61.05 H new ATOM 660 N GLU A 43 21.380 10.585 -0.358 1.00 14.52 N ATOM 661 CA GLU A 43 20.039 11.083 -0.629 1.00 51.01 C ATOM 662 C GLU A 43 20.017 12.605 -0.585 1.00 73.32 C ATOM 663 O GLU A 43 19.509 13.251 -1.504 1.00 20.03 O ATOM 664 CB GLU A 43 19.014 10.529 0.368 1.00 51.22 C ATOM 665 CG GLU A 43 18.823 9.020 0.298 1.00 54.12 C ATOM 666 CD GLU A 43 19.831 8.258 1.129 1.00 74.12 C ATOM 667 OE1 GLU A 43 20.995 8.132 0.700 1.00 44.24 O ATOM 668 OE2 GLU A 43 19.463 7.784 2.223 1.00 43.22 O ATOM 0 H GLU A 43 21.444 9.952 0.439 1.00 14.52 H new ATOM 0 HA GLU A 43 19.764 10.741 -1.627 1.00 51.01 H new ATOM 0 HB2 GLU A 43 19.325 10.798 1.378 1.00 51.22 H new ATOM 0 HB3 GLU A 43 18.054 11.013 0.191 1.00 51.22 H new ATOM 0 HG2 GLU A 43 17.818 8.770 0.637 1.00 54.12 H new ATOM 0 HG3 GLU A 43 18.898 8.697 -0.740 1.00 54.12 H new ATOM 675 N VAL A 44 20.586 13.179 0.472 1.00 12.04 N ATOM 676 CA VAL A 44 20.574 14.629 0.625 1.00 64.12 C ATOM 677 C VAL A 44 21.461 15.316 -0.419 1.00 44.32 C ATOM 678 O VAL A 44 21.105 16.377 -0.937 1.00 4.42 O ATOM 679 CB VAL A 44 20.975 15.077 2.052 1.00 64.34 C ATOM 680 CG1 VAL A 44 19.993 14.528 3.074 1.00 55.54 C ATOM 681 CG2 VAL A 44 22.393 14.649 2.396 1.00 41.02 C ATOM 0 H VAL A 44 21.054 12.671 1.223 1.00 12.04 H new ATOM 0 HA VAL A 44 19.543 14.942 0.460 1.00 64.12 H new ATOM 0 HB VAL A 44 20.943 16.166 2.079 1.00 64.34 H new ATOM 0 HG11 VAL A 44 20.288 14.851 4.072 1.00 55.54 H new ATOM 0 HG12 VAL A 44 18.992 14.900 2.853 1.00 55.54 H new ATOM 0 HG13 VAL A 44 19.993 13.439 3.030 1.00 55.54 H new ATOM 0 HG21 VAL A 44 22.639 14.981 3.405 1.00 41.02 H new ATOM 0 HG22 VAL A 44 22.468 13.563 2.343 1.00 41.02 H new ATOM 0 HG23 VAL A 44 23.090 15.096 1.687 1.00 41.02 H new ATOM 691 N LYS A 45 22.597 14.703 -0.757 1.00 40.31 N ATOM 692 CA LYS A 45 23.487 15.275 -1.763 1.00 12.13 C ATOM 693 C LYS A 45 22.826 15.232 -3.137 1.00 13.43 C ATOM 694 O LYS A 45 22.943 16.172 -3.918 1.00 15.20 O ATOM 695 CB LYS A 45 24.839 14.544 -1.799 1.00 61.33 C ATOM 696 CG LYS A 45 25.841 15.165 -2.760 1.00 2.02 C ATOM 697 CD LYS A 45 27.207 14.508 -2.652 1.00 33.13 C ATOM 698 CE LYS A 45 28.201 15.142 -3.614 1.00 75.13 C ATOM 699 NZ LYS A 45 29.558 14.546 -3.493 1.00 24.32 N ATOM 0 H LYS A 45 22.918 13.823 -0.354 1.00 40.31 H new ATOM 0 HA LYS A 45 23.677 16.313 -1.490 1.00 12.13 H new ATOM 0 HB2 LYS A 45 25.266 14.537 -0.796 1.00 61.33 H new ATOM 0 HB3 LYS A 45 24.673 13.504 -2.082 1.00 61.33 H new ATOM 0 HG2 LYS A 45 25.472 15.071 -3.781 1.00 2.02 H new ATOM 0 HG3 LYS A 45 25.933 16.231 -2.551 1.00 2.02 H new ATOM 0 HD2 LYS A 45 27.577 14.599 -1.631 1.00 33.13 H new ATOM 0 HD3 LYS A 45 27.119 13.443 -2.866 1.00 33.13 H new ATOM 0 HE2 LYS A 45 27.843 15.021 -4.636 1.00 75.13 H new ATOM 0 HE3 LYS A 45 28.258 16.213 -3.421 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 30.202 15.008 -4.167 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 29.913 14.684 -2.525 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 29.510 13.528 -3.703 1.00 24.32 H new ATOM 713 N ALA A 46 22.117 14.142 -3.414 1.00 24.01 N ATOM 714 CA ALA A 46 21.426 13.979 -4.687 1.00 74.23 C ATOM 715 C ALA A 46 20.308 15.004 -4.842 1.00 34.34 C ATOM 716 O ALA A 46 20.237 15.706 -5.853 1.00 23.14 O ATOM 717 CB ALA A 46 20.870 12.569 -4.811 1.00 34.25 C ATOM 0 H ALA A 46 22.006 13.357 -2.772 1.00 24.01 H new ATOM 0 HA ALA A 46 22.149 14.145 -5.486 1.00 74.23 H new ATOM 0 HB1 ALA A 46 20.357 12.463 -5.767 1.00 34.25 H new ATOM 0 HB2 ALA A 46 21.687 11.850 -4.756 1.00 34.25 H new ATOM 0 HB3 ALA A 46 20.167 12.382 -3.999 1.00 34.25 H new ATOM 723 N VAL A 47 19.448 15.099 -3.828 1.00 63.11 N ATOM 724 CA VAL A 47 18.308 16.007 -3.880 1.00 5.15 C ATOM 725 C VAL A 47 18.766 17.467 -3.923 1.00 71.40 C ATOM 726 O VAL A 47 18.191 18.284 -4.643 1.00 3.44 O ATOM 727 CB VAL A 47 17.328 15.780 -2.698 1.00 52.11 C ATOM 728 CG1 VAL A 47 17.977 16.088 -1.358 1.00 2.14 C ATOM 729 CG2 VAL A 47 16.065 16.605 -2.880 1.00 1.32 C ATOM 0 H VAL A 47 19.520 14.560 -2.965 1.00 63.11 H new ATOM 0 HA VAL A 47 17.769 15.785 -4.801 1.00 5.15 H new ATOM 0 HB VAL A 47 17.059 14.724 -2.698 1.00 52.11 H new ATOM 0 HG11 VAL A 47 17.258 15.916 -0.557 1.00 2.14 H new ATOM 0 HG12 VAL A 47 18.841 15.439 -1.215 1.00 2.14 H new ATOM 0 HG13 VAL A 47 18.298 17.129 -1.340 1.00 2.14 H new ATOM 0 HG21 VAL A 47 15.392 16.431 -2.040 1.00 1.32 H new ATOM 0 HG22 VAL A 47 16.324 17.663 -2.923 1.00 1.32 H new ATOM 0 HG23 VAL A 47 15.571 16.314 -3.807 1.00 1.32 H new ATOM 739 N ALA A 48 19.817 17.793 -3.174 1.00 53.54 N ATOM 740 CA ALA A 48 20.367 19.140 -3.199 1.00 3.21 C ATOM 741 C ALA A 48 20.990 19.433 -4.557 1.00 22.54 C ATOM 742 O ALA A 48 20.866 20.538 -5.086 1.00 13.30 O ATOM 743 CB ALA A 48 21.393 19.320 -2.093 1.00 15.11 C ATOM 0 H ALA A 48 20.299 17.147 -2.549 1.00 53.54 H new ATOM 0 HA ALA A 48 19.555 19.847 -3.030 1.00 3.21 H new ATOM 0 HB1 ALA A 48 21.792 20.334 -2.129 1.00 15.11 H new ATOM 0 HB2 ALA A 48 20.919 19.150 -1.126 1.00 15.11 H new ATOM 0 HB3 ALA A 48 22.205 18.605 -2.230 1.00 15.11 H new ATOM 749 N ASN A 49 21.645 18.424 -5.119 1.00 73.23 N ATOM 750 CA ASN A 49 22.263 18.536 -6.435 1.00 11.34 C ATOM 751 C ASN A 49 21.231 18.869 -7.507 1.00 21.14 C ATOM 752 O ASN A 49 21.422 19.796 -8.297 1.00 34.35 O ATOM 753 CB ASN A 49 22.996 17.232 -6.785 1.00 24.22 C ATOM 754 CG ASN A 49 23.121 16.997 -8.280 1.00 72.24 C ATOM 755 OD1 ASN A 49 24.040 17.496 -8.929 1.00 13.43 O ATOM 756 ND2 ASN A 49 22.207 16.207 -8.829 1.00 34.41 N ATOM 0 H ASN A 49 21.762 17.511 -4.679 1.00 73.23 H new ATOM 0 HA ASN A 49 22.983 19.353 -6.402 1.00 11.34 H new ATOM 0 HB2 ASN A 49 23.992 17.253 -6.343 1.00 24.22 H new ATOM 0 HB3 ASN A 49 22.465 16.393 -6.335 1.00 24.22 H new ATOM 0 HD21 ASN A 49 22.250 15.993 -9.825 1.00 34.41 H new ATOM 0 HD22 ASN A 49 21.461 15.814 -8.255 1.00 34.41 H new ATOM 763 N GLU A 50 20.132 18.126 -7.533 1.00 63.12 N ATOM 764 CA GLU A 50 19.121 18.332 -8.558 1.00 22.12 C ATOM 765 C GLU A 50 18.321 19.601 -8.285 1.00 22.40 C ATOM 766 O GLU A 50 17.871 20.266 -9.216 1.00 61.11 O ATOM 767 CB GLU A 50 18.204 17.113 -8.684 1.00 3.54 C ATOM 768 CG GLU A 50 17.395 16.802 -7.439 1.00 54.34 C ATOM 769 CD GLU A 50 16.621 15.508 -7.575 1.00 12.15 C ATOM 770 OE1 GLU A 50 15.564 15.513 -8.243 1.00 13.25 O ATOM 771 OE2 GLU A 50 17.079 14.477 -7.043 1.00 72.03 O ATOM 0 H GLU A 50 19.921 17.385 -6.865 1.00 63.12 H new ATOM 0 HA GLU A 50 19.632 18.458 -9.513 1.00 22.12 H new ATOM 0 HB2 GLU A 50 17.519 17.274 -9.516 1.00 3.54 H new ATOM 0 HB3 GLU A 50 18.810 16.243 -8.935 1.00 3.54 H new ATOM 0 HG2 GLU A 50 18.062 16.737 -6.580 1.00 54.34 H new ATOM 0 HG3 GLU A 50 16.702 17.620 -7.243 1.00 54.34 H new ATOM 778 N LEU A 51 18.169 19.952 -7.012 1.00 72.23 N ATOM 779 CA LEU A 51 17.487 21.186 -6.648 1.00 55.41 C ATOM 780 C LEU A 51 18.282 22.380 -7.179 1.00 24.41 C ATOM 781 O LEU A 51 17.725 23.271 -7.818 1.00 62.31 O ATOM 782 CB LEU A 51 17.306 21.278 -5.124 1.00 14.10 C ATOM 783 CG LEU A 51 16.208 22.235 -4.626 1.00 34.30 C ATOM 784 CD1 LEU A 51 16.604 23.692 -4.816 1.00 63.41 C ATOM 785 CD2 LEU A 51 14.894 21.952 -5.336 1.00 30.24 C ATOM 0 H LEU A 51 18.507 19.403 -6.221 1.00 72.23 H new ATOM 0 HA LEU A 51 16.494 21.194 -7.098 1.00 55.41 H new ATOM 0 HB2 LEU A 51 17.088 20.280 -4.744 1.00 14.10 H new ATOM 0 HB3 LEU A 51 18.255 21.587 -4.684 1.00 14.10 H new ATOM 0 HG LEU A 51 16.081 22.060 -3.558 1.00 34.30 H new ATOM 0 HD11 LEU A 51 15.804 24.337 -4.453 1.00 63.41 H new ATOM 0 HD12 LEU A 51 17.517 23.897 -4.257 1.00 63.41 H new ATOM 0 HD13 LEU A 51 16.775 23.887 -5.875 1.00 63.41 H new ATOM 0 HD21 LEU A 51 14.129 22.638 -4.972 1.00 30.24 H new ATOM 0 HD22 LEU A 51 15.023 22.090 -6.409 1.00 30.24 H new ATOM 0 HD23 LEU A 51 14.586 20.926 -5.136 1.00 30.24 H new ATOM 797 N MET A 52 19.592 22.370 -6.930 1.00 34.31 N ATOM 798 CA MET A 52 20.479 23.420 -7.433 1.00 22.22 C ATOM 799 C MET A 52 20.462 23.464 -8.955 1.00 41.23 C ATOM 800 O MET A 52 20.494 24.535 -9.557 1.00 64.42 O ATOM 801 CB MET A 52 21.924 23.191 -6.970 1.00 43.15 C ATOM 802 CG MET A 52 22.206 23.593 -5.532 1.00 23.10 C ATOM 803 SD MET A 52 23.943 23.373 -5.100 1.00 2.50 S ATOM 804 CE MET A 52 24.016 24.238 -3.535 1.00 45.22 C ATOM 0 H MET A 52 20.062 21.648 -6.384 1.00 34.31 H new ATOM 0 HA MET A 52 20.113 24.366 -7.033 1.00 22.22 H new ATOM 0 HB2 MET A 52 22.166 22.135 -7.091 1.00 43.15 H new ATOM 0 HB3 MET A 52 22.593 23.748 -7.626 1.00 43.15 H new ATOM 0 HG2 MET A 52 21.925 24.636 -5.385 1.00 23.10 H new ATOM 0 HG3 MET A 52 21.587 22.998 -4.861 1.00 23.10 H new ATOM 0 HE1 MET A 52 24.968 24.028 -3.047 1.00 45.22 H new ATOM 0 HE2 MET A 52 23.925 25.310 -3.707 1.00 45.22 H new ATOM 0 HE3 MET A 52 23.199 23.903 -2.896 1.00 45.22 H new ATOM 814 N ARG A 53 20.418 22.288 -9.569 1.00 0.12 N ATOM 815 CA ARG A 53 20.518 22.169 -11.016 1.00 31.34 C ATOM 816 C ARG A 53 19.244 22.648 -11.715 1.00 53.14 C ATOM 817 O ARG A 53 19.312 23.396 -12.694 1.00 11.32 O ATOM 818 CB ARG A 53 20.803 20.713 -11.390 1.00 43.45 C ATOM 819 CG ARG A 53 21.193 20.515 -12.845 1.00 71.50 C ATOM 820 CD ARG A 53 21.530 19.061 -13.134 1.00 51.30 C ATOM 821 NE ARG A 53 22.537 18.534 -12.211 1.00 54.25 N ATOM 822 CZ ARG A 53 23.327 17.495 -12.487 1.00 53.43 C ATOM 823 NH1 ARG A 53 23.275 16.914 -13.677 1.00 52.52 N ATOM 824 NH2 ARG A 53 24.185 17.044 -11.582 1.00 40.44 N ATOM 0 H ARG A 53 20.313 21.398 -9.082 1.00 0.12 H new ATOM 0 HA ARG A 53 21.336 22.806 -11.351 1.00 31.34 H new ATOM 0 HB2 ARG A 53 21.604 20.335 -10.755 1.00 43.45 H new ATOM 0 HB3 ARG A 53 19.918 20.114 -11.177 1.00 43.45 H new ATOM 0 HG2 ARG A 53 20.375 20.836 -13.490 1.00 71.50 H new ATOM 0 HG3 ARG A 53 22.051 21.144 -13.082 1.00 71.50 H new ATOM 0 HD2 ARG A 53 20.624 18.459 -13.064 1.00 51.30 H new ATOM 0 HD3 ARG A 53 21.894 18.970 -14.157 1.00 51.30 H new ATOM 0 HE ARG A 53 22.641 18.988 -11.304 1.00 54.25 H new ATOM 0 HH11 ARG A 53 22.629 17.261 -14.386 1.00 52.52 H new ATOM 0 HH12 ARG A 53 23.881 16.120 -13.884 1.00 52.52 H new ATOM 0 HH21 ARG A 53 24.244 17.492 -10.668 1.00 40.44 H new ATOM 0 HH22 ARG A 53 24.786 16.249 -11.800 1.00 40.44 H new ATOM 838 N LEU A 54 18.093 22.225 -11.217 1.00 71.25 N ATOM 839 CA LEU A 54 16.818 22.538 -11.857 1.00 62.34 C ATOM 840 C LEU A 54 16.286 23.906 -11.432 1.00 22.45 C ATOM 841 O LEU A 54 15.634 24.596 -12.218 1.00 5.15 O ATOM 842 CB LEU A 54 15.772 21.456 -11.555 1.00 64.53 C ATOM 843 CG LEU A 54 15.834 20.196 -12.433 1.00 41.12 C ATOM 844 CD1 LEU A 54 17.132 19.430 -12.224 1.00 41.11 C ATOM 845 CD2 LEU A 54 14.639 19.298 -12.152 1.00 13.34 C ATOM 0 H LEU A 54 18.012 21.663 -10.370 1.00 71.25 H new ATOM 0 HA LEU A 54 17.002 22.566 -12.931 1.00 62.34 H new ATOM 0 HB2 LEU A 54 15.880 21.155 -10.513 1.00 64.53 H new ATOM 0 HB3 LEU A 54 14.781 21.898 -11.658 1.00 64.53 H new ATOM 0 HG LEU A 54 15.802 20.516 -13.475 1.00 41.12 H new ATOM 0 HD11 LEU A 54 17.139 18.546 -12.861 1.00 41.11 H new ATOM 0 HD12 LEU A 54 17.977 20.069 -12.480 1.00 41.11 H new ATOM 0 HD13 LEU A 54 17.211 19.126 -11.180 1.00 41.11 H new ATOM 0 HD21 LEU A 54 14.696 18.409 -12.781 1.00 13.34 H new ATOM 0 HD22 LEU A 54 14.645 19.001 -11.103 1.00 13.34 H new ATOM 0 HD23 LEU A 54 13.718 19.839 -12.370 1.00 13.34 H new ATOM 857 N GLY A 55 16.565 24.302 -10.200 1.00 41.21 N ATOM 858 CA GLY A 55 16.034 25.554 -9.694 1.00 63.30 C ATOM 859 C GLY A 55 17.115 26.517 -9.258 1.00 62.12 C ATOM 860 O GLY A 55 18.216 26.522 -9.811 1.00 34.14 O ATOM 0 H GLY A 55 17.147 23.783 -9.542 1.00 41.21 H new ATOM 0 HA2 GLY A 55 15.426 26.024 -10.467 1.00 63.30 H new ATOM 0 HA3 GLY A 55 15.375 25.349 -8.850 1.00 63.30 H new ATOM 864 N ASP A 56 16.796 27.340 -8.271 1.00 0.02 N ATOM 865 CA ASP A 56 17.750 28.300 -7.729 1.00 15.42 C ATOM 866 C ASP A 56 18.187 27.874 -6.339 1.00 64.31 C ATOM 867 O ASP A 56 17.488 27.116 -5.664 1.00 71.51 O ATOM 868 CB ASP A 56 17.147 29.709 -7.670 1.00 73.02 C ATOM 869 CG ASP A 56 17.155 30.414 -9.013 1.00 5.42 C ATOM 870 OD1 ASP A 56 18.182 31.036 -9.355 1.00 72.25 O ATOM 871 OD2 ASP A 56 16.131 30.361 -9.726 1.00 0.31 O ATOM 0 H ASP A 56 15.879 27.363 -7.826 1.00 0.02 H new ATOM 0 HA ASP A 56 18.615 28.323 -8.392 1.00 15.42 H new ATOM 0 HB2 ASP A 56 16.122 29.644 -7.306 1.00 73.02 H new ATOM 0 HB3 ASP A 56 17.704 30.307 -6.949 1.00 73.02 H new ATOM 876 N PHE A 57 19.337 28.369 -5.912 1.00 41.20 N ATOM 877 CA PHE A 57 19.892 28.018 -4.616 1.00 0.01 C ATOM 878 C PHE A 57 20.954 29.045 -4.247 1.00 54.22 C ATOM 879 O PHE A 57 21.363 29.844 -5.092 1.00 53.24 O ATOM 880 CB PHE A 57 20.507 26.612 -4.675 1.00 1.34 C ATOM 881 CG PHE A 57 20.410 25.828 -3.391 1.00 74.43 C ATOM 882 CD1 PHE A 57 21.291 26.056 -2.346 1.00 34.42 C ATOM 883 CD2 PHE A 57 19.443 24.849 -3.237 1.00 53.03 C ATOM 884 CE1 PHE A 57 21.208 25.328 -1.175 1.00 53.11 C ATOM 885 CE2 PHE A 57 19.354 24.117 -2.069 1.00 74.50 C ATOM 886 CZ PHE A 57 20.238 24.357 -1.036 1.00 15.54 C ATOM 0 H PHE A 57 19.908 29.021 -6.450 1.00 41.20 H new ATOM 0 HA PHE A 57 19.106 28.017 -3.861 1.00 0.01 H new ATOM 0 HB2 PHE A 57 20.015 26.048 -5.467 1.00 1.34 H new ATOM 0 HB3 PHE A 57 21.557 26.701 -4.952 1.00 1.34 H new ATOM 0 HD1 PHE A 57 22.054 26.814 -2.449 1.00 34.42 H new ATOM 0 HD2 PHE A 57 18.749 24.655 -4.041 1.00 53.03 H new ATOM 0 HE1 PHE A 57 21.902 25.519 -0.369 1.00 53.11 H new ATOM 0 HE2 PHE A 57 18.593 23.357 -1.964 1.00 74.50 H new ATOM 0 HZ PHE A 57 20.170 23.786 -0.122 1.00 15.54 H new ATOM 896 N ASP A 58 21.394 29.033 -2.999 1.00 55.52 N ATOM 897 CA ASP A 58 22.450 29.935 -2.565 1.00 42.31 C ATOM 898 C ASP A 58 23.784 29.449 -3.125 1.00 31.30 C ATOM 899 O ASP A 58 23.934 28.264 -3.440 1.00 23.35 O ATOM 900 CB ASP A 58 22.510 29.999 -1.036 1.00 72.43 C ATOM 901 CG ASP A 58 23.099 31.302 -0.532 1.00 71.31 C ATOM 902 OD1 ASP A 58 24.293 31.562 -0.778 1.00 3.53 O ATOM 903 OD2 ASP A 58 22.364 32.083 0.112 1.00 11.45 O ATOM 0 H ASP A 58 21.039 28.412 -2.272 1.00 55.52 H new ATOM 0 HA ASP A 58 22.240 30.938 -2.938 1.00 42.31 H new ATOM 0 HB2 ASP A 58 21.505 29.877 -0.631 1.00 72.43 H new ATOM 0 HB3 ASP A 58 23.107 29.166 -0.664 1.00 72.43 H new ATOM 908 N GLN A 59 24.747 30.348 -3.244 1.00 65.13 N ATOM 909 CA GLN A 59 26.019 30.016 -3.863 1.00 61.52 C ATOM 910 C GLN A 59 26.943 29.324 -2.862 1.00 42.02 C ATOM 911 O GLN A 59 27.826 29.948 -2.273 1.00 22.20 O ATOM 912 CB GLN A 59 26.686 31.271 -4.431 1.00 52.04 C ATOM 913 CG GLN A 59 27.847 30.977 -5.367 1.00 33.10 C ATOM 914 CD GLN A 59 27.408 30.325 -6.669 1.00 42.12 C ATOM 915 OE1 GLN A 59 26.403 29.609 -6.724 1.00 43.20 O ATOM 916 NE2 GLN A 59 28.159 30.569 -7.729 1.00 63.24 N ATOM 0 H GLN A 59 24.672 31.312 -2.920 1.00 65.13 H new ATOM 0 HA GLN A 59 25.828 29.326 -4.685 1.00 61.52 H new ATOM 0 HB2 GLN A 59 25.939 31.858 -4.966 1.00 52.04 H new ATOM 0 HB3 GLN A 59 27.043 31.887 -3.606 1.00 52.04 H new ATOM 0 HG2 GLN A 59 28.371 31.906 -5.591 1.00 33.10 H new ATOM 0 HG3 GLN A 59 28.558 30.324 -4.861 1.00 33.10 H new ATOM 0 HE21 GLN A 59 28.982 31.166 -7.645 1.00 63.24 H new ATOM 0 HE22 GLN A 59 27.916 30.161 -8.631 1.00 63.24 H new ATOM 925 N ILE A 60 26.699 28.038 -2.651 1.00 73.33 N ATOM 926 CA ILE A 60 27.503 27.227 -1.741 1.00 52.00 C ATOM 927 C ILE A 60 27.630 25.805 -2.278 1.00 62.32 C ATOM 928 O ILE A 60 27.009 25.459 -3.285 1.00 61.30 O ATOM 929 CB ILE A 60 26.886 27.162 -0.323 1.00 22.03 C ATOM 930 CG1 ILE A 60 25.413 26.744 -0.402 1.00 74.12 C ATOM 931 CG2 ILE A 60 27.036 28.496 0.400 1.00 12.40 C ATOM 932 CD1 ILE A 60 24.752 26.569 0.948 1.00 34.21 C ATOM 0 H ILE A 60 25.941 27.527 -3.103 1.00 73.33 H new ATOM 0 HA ILE A 60 28.482 27.701 -1.674 1.00 52.00 H new ATOM 0 HB ILE A 60 27.427 26.411 0.252 1.00 22.03 H new ATOM 0 HG12 ILE A 60 24.863 27.494 -0.971 1.00 74.12 H new ATOM 0 HG13 ILE A 60 25.340 25.808 -0.955 1.00 74.12 H new ATOM 0 HG21 ILE A 60 26.594 28.423 1.394 1.00 12.40 H new ATOM 0 HG22 ILE A 60 28.094 28.744 0.490 1.00 12.40 H new ATOM 0 HG23 ILE A 60 26.528 29.276 -0.167 1.00 12.40 H new ATOM 0 HD11 ILE A 60 23.712 26.273 0.808 1.00 34.21 H new ATOM 0 HD12 ILE A 60 25.276 25.798 1.512 1.00 34.21 H new ATOM 0 HD13 ILE A 60 24.791 27.510 1.497 1.00 34.21 H new ATOM 944 N ASP A 61 28.433 24.987 -1.610 1.00 74.15 N ATOM 945 CA ASP A 61 28.542 23.573 -1.953 1.00 11.11 C ATOM 946 C ASP A 61 27.883 22.739 -0.865 1.00 32.54 C ATOM 947 O ASP A 61 28.173 22.920 0.316 1.00 44.33 O ATOM 948 CB ASP A 61 30.006 23.149 -2.114 1.00 43.43 C ATOM 949 CG ASP A 61 30.143 21.723 -2.623 1.00 44.22 C ATOM 950 OD1 ASP A 61 29.891 21.489 -3.824 1.00 63.43 O ATOM 951 OD2 ASP A 61 30.505 20.830 -1.830 1.00 51.15 O ATOM 0 H ASP A 61 29.019 25.277 -0.827 1.00 74.15 H new ATOM 0 HA ASP A 61 28.038 23.411 -2.906 1.00 11.11 H new ATOM 0 HB2 ASP A 61 30.504 23.828 -2.806 1.00 43.43 H new ATOM 0 HB3 ASP A 61 30.516 23.240 -1.155 1.00 43.43 H new ATOM 956 N ILE A 62 26.993 21.842 -1.257 1.00 1.14 N ATOM 957 CA ILE A 62 26.279 21.015 -0.294 1.00 44.54 C ATOM 958 C ILE A 62 27.140 19.837 0.138 1.00 35.03 C ATOM 959 O ILE A 62 27.161 19.467 1.312 1.00 21.22 O ATOM 960 CB ILE A 62 24.942 20.493 -0.870 1.00 53.15 C ATOM 961 CG1 ILE A 62 24.012 21.662 -1.209 1.00 34.35 C ATOM 962 CG2 ILE A 62 24.264 19.541 0.109 1.00 21.32 C ATOM 963 CD1 ILE A 62 23.668 22.539 -0.023 1.00 32.22 C ATOM 0 H ILE A 62 26.747 21.667 -2.231 1.00 1.14 H new ATOM 0 HA ILE A 62 26.058 21.642 0.570 1.00 44.54 H new ATOM 0 HB ILE A 62 25.158 19.943 -1.786 1.00 53.15 H new ATOM 0 HG12 ILE A 62 24.482 22.276 -1.978 1.00 34.35 H new ATOM 0 HG13 ILE A 62 23.090 21.267 -1.636 1.00 34.35 H new ATOM 0 HG21 ILE A 62 23.326 19.187 -0.318 1.00 21.32 H new ATOM 0 HG22 ILE A 62 24.918 18.691 0.302 1.00 21.32 H new ATOM 0 HG23 ILE A 62 24.063 20.063 1.044 1.00 21.32 H new ATOM 0 HD11 ILE A 62 23.006 23.343 -0.345 1.00 32.22 H new ATOM 0 HD12 ILE A 62 23.168 21.941 0.739 1.00 32.22 H new ATOM 0 HD13 ILE A 62 24.582 22.965 0.392 1.00 32.22 H new ATOM 975 N GLY A 63 27.866 19.272 -0.819 1.00 31.43 N ATOM 976 CA GLY A 63 28.702 18.121 -0.543 1.00 52.11 C ATOM 977 C GLY A 63 29.679 18.369 0.587 1.00 31.22 C ATOM 978 O GLY A 63 29.756 17.578 1.527 1.00 14.54 O ATOM 0 H GLY A 63 27.890 19.593 -1.787 1.00 31.43 H new ATOM 0 HA2 GLY A 63 28.070 17.269 -0.292 1.00 52.11 H new ATOM 0 HA3 GLY A 63 29.254 17.853 -1.444 1.00 52.11 H new ATOM 982 N VAL A 64 30.406 19.479 0.510 1.00 13.42 N ATOM 983 CA VAL A 64 31.399 19.828 1.524 1.00 34.32 C ATOM 984 C VAL A 64 30.761 19.940 2.913 1.00 53.31 C ATOM 985 O VAL A 64 31.366 19.568 3.916 1.00 3.43 O ATOM 986 CB VAL A 64 32.138 21.147 1.169 1.00 54.13 C ATOM 987 CG1 VAL A 64 31.215 22.354 1.250 1.00 30.14 C ATOM 988 CG2 VAL A 64 33.352 21.340 2.065 1.00 21.11 C ATOM 0 H VAL A 64 30.326 20.157 -0.248 1.00 13.42 H new ATOM 0 HA VAL A 64 32.131 19.021 1.543 1.00 34.32 H new ATOM 0 HB VAL A 64 32.475 21.063 0.136 1.00 54.13 H new ATOM 0 HG11 VAL A 64 31.772 23.256 0.994 1.00 30.14 H new ATOM 0 HG12 VAL A 64 30.388 22.227 0.551 1.00 30.14 H new ATOM 0 HG13 VAL A 64 30.823 22.445 2.263 1.00 30.14 H new ATOM 0 HG21 VAL A 64 33.856 22.270 1.800 1.00 21.11 H new ATOM 0 HG22 VAL A 64 33.032 21.384 3.106 1.00 21.11 H new ATOM 0 HG23 VAL A 64 34.039 20.504 1.932 1.00 21.11 H new ATOM 998 N VAL A 65 29.527 20.423 2.960 1.00 25.53 N ATOM 999 CA VAL A 65 28.826 20.613 4.221 1.00 41.35 C ATOM 1000 C VAL A 65 28.396 19.275 4.821 1.00 15.00 C ATOM 1001 O VAL A 65 28.674 18.985 5.984 1.00 61.02 O ATOM 1002 CB VAL A 65 27.585 21.518 4.035 1.00 41.42 C ATOM 1003 CG1 VAL A 65 26.753 21.585 5.307 1.00 52.00 C ATOM 1004 CG2 VAL A 65 28.003 22.915 3.606 1.00 63.33 C ATOM 0 H VAL A 65 28.990 20.691 2.136 1.00 25.53 H new ATOM 0 HA VAL A 65 29.520 21.099 4.906 1.00 41.35 H new ATOM 0 HB VAL A 65 26.968 21.078 3.251 1.00 41.42 H new ATOM 0 HG11 VAL A 65 25.889 22.229 5.143 1.00 52.00 H new ATOM 0 HG12 VAL A 65 26.414 20.584 5.573 1.00 52.00 H new ATOM 0 HG13 VAL A 65 27.359 21.991 6.117 1.00 52.00 H new ATOM 0 HG21 VAL A 65 27.117 23.537 3.480 1.00 63.33 H new ATOM 0 HG22 VAL A 65 28.648 23.352 4.368 1.00 63.33 H new ATOM 0 HG23 VAL A 65 28.544 22.859 2.662 1.00 63.33 H new ATOM 1014 N ILE A 66 27.748 18.454 4.010 1.00 60.32 N ATOM 1015 CA ILE A 66 27.109 17.240 4.503 1.00 21.23 C ATOM 1016 C ILE A 66 28.091 16.092 4.707 1.00 32.33 C ATOM 1017 O ILE A 66 27.850 15.197 5.520 1.00 44.40 O ATOM 1018 CB ILE A 66 25.985 16.783 3.554 1.00 4.44 C ATOM 1019 CG1 ILE A 66 26.555 16.450 2.174 1.00 1.10 C ATOM 1020 CG2 ILE A 66 24.922 17.866 3.448 1.00 30.33 C ATOM 1021 CD1 ILE A 66 25.520 15.957 1.192 1.00 22.24 C ATOM 0 H ILE A 66 27.650 18.605 3.006 1.00 60.32 H new ATOM 0 HA ILE A 66 26.691 17.497 5.476 1.00 21.23 H new ATOM 0 HB ILE A 66 25.525 15.882 3.959 1.00 4.44 H new ATOM 0 HG12 ILE A 66 27.036 17.339 1.765 1.00 1.10 H new ATOM 0 HG13 ILE A 66 27.329 15.691 2.284 1.00 1.10 H new ATOM 0 HG21 ILE A 66 24.131 17.535 2.775 1.00 30.33 H new ATOM 0 HG22 ILE A 66 24.501 18.061 4.435 1.00 30.33 H new ATOM 0 HG23 ILE A 66 25.371 18.780 3.058 1.00 30.33 H new ATOM 0 HD11 ILE A 66 25.998 15.741 0.237 1.00 22.24 H new ATOM 0 HD12 ILE A 66 25.055 15.050 1.578 1.00 22.24 H new ATOM 0 HD13 ILE A 66 24.758 16.723 1.051 1.00 22.24 H new ATOM 1033 N THR A 67 29.187 16.101 3.972 1.00 14.14 N ATOM 1034 CA THR A 67 30.163 15.036 4.097 1.00 50.13 C ATOM 1035 C THR A 67 31.258 15.433 5.080 1.00 71.42 C ATOM 1036 O THR A 67 31.955 14.578 5.631 1.00 32.31 O ATOM 1037 CB THR A 67 30.785 14.669 2.733 1.00 41.24 C ATOM 1038 OG1 THR A 67 31.523 15.781 2.211 1.00 22.32 O ATOM 1039 CG2 THR A 67 29.704 14.254 1.736 1.00 74.34 C ATOM 0 H THR A 67 29.422 16.823 3.291 1.00 14.14 H new ATOM 0 HA THR A 67 29.642 14.156 4.475 1.00 50.13 H new ATOM 0 HB THR A 67 31.461 13.827 2.884 1.00 41.24 H new ATOM 0 HG1 THR A 67 30.939 16.567 2.161 1.00 22.32 H new ATOM 0 HG21 THR A 67 30.167 14.000 0.782 1.00 74.34 H new ATOM 0 HG22 THR A 67 29.167 13.387 2.121 1.00 74.34 H new ATOM 0 HG23 THR A 67 29.006 15.079 1.592 1.00 74.34 H new ATOM 1047 N HIS A 68 31.386 16.731 5.322 1.00 62.10 N ATOM 1048 CA HIS A 68 32.418 17.238 6.211 1.00 75.44 C ATOM 1049 C HIS A 68 31.815 18.204 7.226 1.00 63.13 C ATOM 1050 O HIS A 68 31.764 19.412 6.997 1.00 34.35 O ATOM 1051 CB HIS A 68 33.526 17.927 5.407 1.00 73.14 C ATOM 1052 CG HIS A 68 34.785 18.164 6.184 1.00 52.01 C ATOM 1053 ND1 HIS A 68 35.162 19.403 6.661 1.00 65.54 N ATOM 1054 CD2 HIS A 68 35.766 17.309 6.551 1.00 52.12 C ATOM 1055 CE1 HIS A 68 36.319 19.296 7.285 1.00 12.54 C ATOM 1056 NE2 HIS A 68 36.706 18.037 7.232 1.00 54.52 N ATOM 0 H HIS A 68 30.788 17.450 4.915 1.00 62.10 H new ATOM 0 HA HIS A 68 32.856 16.398 6.750 1.00 75.44 H new ATOM 0 HB2 HIS A 68 33.759 17.318 4.534 1.00 73.14 H new ATOM 0 HB3 HIS A 68 33.153 18.883 5.039 1.00 73.14 H new ATOM 0 HD2 HIS A 68 35.802 16.249 6.346 1.00 52.12 H new ATOM 0 HE1 HIS A 68 36.858 20.103 7.759 1.00 12.54 H new ATOM 0 HE2 HIS A 68 37.567 17.665 7.633 1.00 54.52 H new ATOM 1065 N PHE A 69 31.321 17.649 8.324 1.00 30.31 N ATOM 1066 CA PHE A 69 30.764 18.443 9.414 1.00 22.22 C ATOM 1067 C PHE A 69 31.795 19.410 9.990 1.00 3.34 C ATOM 1068 O PHE A 69 32.994 19.119 10.026 1.00 14.12 O ATOM 1069 CB PHE A 69 30.251 17.530 10.531 1.00 5.11 C ATOM 1070 CG PHE A 69 29.005 16.772 10.181 1.00 12.44 C ATOM 1071 CD1 PHE A 69 29.053 15.666 9.347 1.00 70.53 C ATOM 1072 CD2 PHE A 69 27.780 17.163 10.700 1.00 75.14 C ATOM 1073 CE1 PHE A 69 27.902 14.968 9.034 1.00 1.20 C ATOM 1074 CE2 PHE A 69 26.628 16.471 10.391 1.00 11.41 C ATOM 1075 CZ PHE A 69 26.687 15.371 9.557 1.00 61.22 C ATOM 0 H PHE A 69 31.294 16.642 8.485 1.00 30.31 H new ATOM 0 HA PHE A 69 29.938 19.023 9.002 1.00 22.22 H new ATOM 0 HB2 PHE A 69 31.034 16.819 10.792 1.00 5.11 H new ATOM 0 HB3 PHE A 69 30.059 18.133 11.419 1.00 5.11 H new ATOM 0 HD1 PHE A 69 30.000 15.346 8.937 1.00 70.53 H new ATOM 0 HD2 PHE A 69 27.728 18.020 11.355 1.00 75.14 H new ATOM 0 HE1 PHE A 69 27.951 14.109 8.382 1.00 1.20 H new ATOM 0 HE2 PHE A 69 25.680 16.789 10.801 1.00 11.41 H new ATOM 0 HZ PHE A 69 25.786 14.827 9.314 1.00 61.22 H new ATOM 1085 N THR A 70 31.315 20.558 10.437 1.00 73.34 N ATOM 1086 CA THR A 70 32.156 21.558 11.068 1.00 1.43 C ATOM 1087 C THR A 70 31.944 21.503 12.586 1.00 12.24 C ATOM 1088 O THR A 70 31.076 20.769 13.059 1.00 70.15 O ATOM 1089 CB THR A 70 31.807 22.958 10.515 1.00 44.13 C ATOM 1090 OG1 THR A 70 31.555 22.862 9.107 1.00 53.25 O ATOM 1091 CG2 THR A 70 32.936 23.954 10.746 1.00 54.12 C ATOM 0 H THR A 70 30.332 20.822 10.372 1.00 73.34 H new ATOM 0 HA THR A 70 33.205 21.357 10.849 1.00 1.43 H new ATOM 0 HB THR A 70 30.923 23.315 11.043 1.00 44.13 H new ATOM 0 HG1 THR A 70 31.194 23.713 8.781 1.00 53.25 H new ATOM 0 HG21 THR A 70 32.652 24.926 10.343 1.00 54.12 H new ATOM 0 HG22 THR A 70 33.127 24.046 11.815 1.00 54.12 H new ATOM 0 HG23 THR A 70 33.839 23.604 10.245 1.00 54.12 H new ATOM 1099 N ASP A 71 32.740 22.241 13.351 1.00 4.40 N ATOM 1100 CA ASP A 71 32.580 22.255 14.802 1.00 51.42 C ATOM 1101 C ASP A 71 31.515 23.259 15.216 1.00 70.43 C ATOM 1102 O ASP A 71 30.584 22.927 15.950 1.00 25.34 O ATOM 1103 CB ASP A 71 33.897 22.592 15.504 1.00 3.12 C ATOM 1104 CG ASP A 71 34.968 21.547 15.281 1.00 32.33 C ATOM 1105 OD1 ASP A 71 34.816 20.414 15.784 1.00 55.22 O ATOM 1106 OD2 ASP A 71 35.972 21.861 14.611 1.00 43.24 O ATOM 0 H ASP A 71 33.494 22.831 12.998 1.00 4.40 H new ATOM 0 HA ASP A 71 32.270 21.255 15.104 1.00 51.42 H new ATOM 0 HB2 ASP A 71 34.257 23.556 15.146 1.00 3.12 H new ATOM 0 HB3 ASP A 71 33.716 22.697 16.574 1.00 3.12 H new ATOM 1111 N GLU A 72 31.660 24.489 14.740 1.00 53.51 N ATOM 1112 CA GLU A 72 30.743 25.562 15.095 1.00 25.43 C ATOM 1113 C GLU A 72 29.385 25.341 14.442 1.00 33.41 C ATOM 1114 O GLU A 72 28.345 25.515 15.072 1.00 73.40 O ATOM 1115 CB GLU A 72 31.302 26.924 14.667 1.00 22.45 C ATOM 1116 CG GLU A 72 32.791 27.102 14.929 1.00 12.13 C ATOM 1117 CD GLU A 72 33.647 26.641 13.764 1.00 21.13 C ATOM 1118 OE1 GLU A 72 33.850 25.419 13.609 1.00 34.31 O ATOM 1119 OE2 GLU A 72 34.113 27.504 12.990 1.00 21.12 O ATOM 0 H GLU A 72 32.407 24.768 14.105 1.00 53.51 H new ATOM 0 HA GLU A 72 30.626 25.555 16.179 1.00 25.43 H new ATOM 0 HB2 GLU A 72 31.114 27.062 13.602 1.00 22.45 H new ATOM 0 HB3 GLU A 72 30.757 27.708 15.192 1.00 22.45 H new ATOM 0 HG2 GLU A 72 32.997 28.153 15.133 1.00 12.13 H new ATOM 0 HG3 GLU A 72 33.068 26.543 15.823 1.00 12.13 H new ATOM 1126 N LEU A 73 29.406 24.955 13.176 1.00 73.25 N ATOM 1127 CA LEU A 73 28.179 24.718 12.431 1.00 13.42 C ATOM 1128 C LEU A 73 27.944 23.221 12.263 1.00 3.21 C ATOM 1129 O LEU A 73 28.872 22.474 11.952 1.00 21.12 O ATOM 1130 CB LEU A 73 28.231 25.398 11.052 1.00 45.25 C ATOM 1131 CG LEU A 73 28.134 26.932 11.040 1.00 34.40 C ATOM 1132 CD1 LEU A 73 26.959 27.405 11.880 1.00 1.43 C ATOM 1133 CD2 LEU A 73 29.432 27.573 11.512 1.00 14.24 C ATOM 0 H LEU A 73 30.261 24.799 12.642 1.00 73.25 H new ATOM 0 HA LEU A 73 27.353 25.149 12.996 1.00 13.42 H new ATOM 0 HB2 LEU A 73 29.163 25.111 10.565 1.00 45.25 H new ATOM 0 HB3 LEU A 73 27.418 25.000 10.444 1.00 45.25 H new ATOM 0 HG LEU A 73 27.965 27.246 10.010 1.00 34.40 H new ATOM 0 HD11 LEU A 73 26.910 28.494 11.857 1.00 1.43 H new ATOM 0 HD12 LEU A 73 26.034 26.992 11.478 1.00 1.43 H new ATOM 0 HD13 LEU A 73 27.089 27.069 12.909 1.00 1.43 H new ATOM 0 HD21 LEU A 73 29.330 28.658 11.492 1.00 14.24 H new ATOM 0 HD22 LEU A 73 29.649 27.248 12.529 1.00 14.24 H new ATOM 0 HD23 LEU A 73 30.247 27.273 10.853 1.00 14.24 H new ATOM 1145 N PRO A 74 26.700 22.761 12.450 1.00 15.30 N ATOM 1146 CA PRO A 74 25.569 23.618 12.790 1.00 74.21 C ATOM 1147 C PRO A 74 25.342 23.744 14.296 1.00 3.21 C ATOM 1148 O PRO A 74 25.915 22.994 15.092 1.00 20.44 O ATOM 1149 CB PRO A 74 24.409 22.865 12.150 1.00 52.45 C ATOM 1150 CG PRO A 74 24.773 21.423 12.297 1.00 33.51 C ATOM 1151 CD PRO A 74 26.284 21.352 12.325 1.00 1.34 C ATOM 0 HA PRO A 74 25.707 24.644 12.449 1.00 74.21 H new ATOM 0 HB2 PRO A 74 23.466 23.089 12.649 1.00 52.45 H new ATOM 0 HB3 PRO A 74 24.288 23.139 11.102 1.00 52.45 H new ATOM 0 HG2 PRO A 74 24.350 21.009 13.212 1.00 33.51 H new ATOM 0 HG3 PRO A 74 24.374 20.838 11.469 1.00 33.51 H new ATOM 0 HD2 PRO A 74 26.641 20.754 13.163 1.00 1.34 H new ATOM 0 HD3 PRO A 74 26.680 20.897 11.417 1.00 1.34 H new ATOM 1159 N SER A 75 24.504 24.698 14.677 1.00 34.34 N ATOM 1160 CA SER A 75 24.100 24.850 16.062 1.00 31.40 C ATOM 1161 C SER A 75 22.671 24.338 16.243 1.00 52.02 C ATOM 1162 O SER A 75 21.869 24.350 15.298 1.00 0.30 O ATOM 1163 CB SER A 75 24.183 26.321 16.483 1.00 31.21 C ATOM 1164 OG SER A 75 25.454 26.871 16.185 1.00 22.13 O ATOM 0 H SER A 75 24.091 25.380 14.041 1.00 34.34 H new ATOM 0 HA SER A 75 24.774 24.268 16.690 1.00 31.40 H new ATOM 0 HB2 SER A 75 23.408 26.892 15.971 1.00 31.21 H new ATOM 0 HB3 SER A 75 23.989 26.407 17.552 1.00 31.21 H new ATOM 0 HG SER A 75 25.477 27.810 16.463 1.00 22.13 H new ATOM 1170 N PRO A 76 22.329 23.872 17.455 1.00 45.34 N ATOM 1171 CA PRO A 76 20.964 23.455 17.781 1.00 5.21 C ATOM 1172 C PRO A 76 19.969 24.588 17.547 1.00 44.52 C ATOM 1173 O PRO A 76 18.798 24.351 17.254 1.00 51.42 O ATOM 1174 CB PRO A 76 21.030 23.086 19.269 1.00 72.21 C ATOM 1175 CG PRO A 76 22.311 23.670 19.770 1.00 41.55 C ATOM 1176 CD PRO A 76 23.243 23.703 18.595 1.00 65.15 C ATOM 0 HA PRO A 76 20.624 22.628 17.157 1.00 5.21 H new ATOM 0 HB2 PRO A 76 20.176 23.491 19.812 1.00 72.21 H new ATOM 0 HB3 PRO A 76 21.012 22.005 19.406 1.00 72.21 H new ATOM 0 HG2 PRO A 76 22.152 24.672 20.169 1.00 41.55 H new ATOM 0 HG3 PRO A 76 22.724 23.066 20.578 1.00 41.55 H new ATOM 0 HD2 PRO A 76 23.955 24.525 18.667 1.00 65.15 H new ATOM 0 HD3 PRO A 76 23.824 22.784 18.514 1.00 65.15 H new ATOM 1184 N GLU A 77 20.461 25.819 17.663 1.00 41.22 N ATOM 1185 CA GLU A 77 19.670 27.005 17.374 1.00 22.44 C ATOM 1186 C GLU A 77 19.232 26.996 15.912 1.00 43.15 C ATOM 1187 O GLU A 77 18.060 27.223 15.597 1.00 12.42 O ATOM 1188 CB GLU A 77 20.497 28.257 17.653 1.00 61.33 C ATOM 1189 CG GLU A 77 19.693 29.541 17.643 1.00 22.41 C ATOM 1190 CD GLU A 77 18.718 29.614 18.797 1.00 43.51 C ATOM 1191 OE1 GLU A 77 19.129 30.045 19.895 1.00 23.01 O ATOM 1192 OE2 GLU A 77 17.542 29.237 18.615 1.00 3.44 O ATOM 0 H GLU A 77 21.416 26.019 17.959 1.00 41.22 H new ATOM 0 HA GLU A 77 18.786 27.006 18.012 1.00 22.44 H new ATOM 0 HB2 GLU A 77 20.981 28.151 18.624 1.00 61.33 H new ATOM 0 HB3 GLU A 77 21.289 28.330 16.908 1.00 61.33 H new ATOM 0 HG2 GLU A 77 20.372 30.393 17.689 1.00 22.41 H new ATOM 0 HG3 GLU A 77 19.147 29.618 16.703 1.00 22.41 H new ATOM 1199 N ASP A 78 20.184 26.716 15.027 1.00 64.10 N ATOM 1200 CA ASP A 78 19.914 26.657 13.595 1.00 20.24 C ATOM 1201 C ASP A 78 18.951 25.522 13.303 1.00 23.41 C ATOM 1202 O ASP A 78 17.982 25.687 12.564 1.00 70.25 O ATOM 1203 CB ASP A 78 21.203 26.438 12.792 1.00 74.32 C ATOM 1204 CG ASP A 78 22.288 27.436 13.123 1.00 33.44 C ATOM 1205 OD1 ASP A 78 22.055 28.651 12.972 1.00 54.10 O ATOM 1206 OD2 ASP A 78 23.379 27.007 13.556 1.00 35.31 O ATOM 0 H ASP A 78 21.154 26.526 15.279 1.00 64.10 H new ATOM 0 HA ASP A 78 19.477 27.610 13.297 1.00 20.24 H new ATOM 0 HB2 ASP A 78 21.575 25.431 12.982 1.00 74.32 H new ATOM 0 HB3 ASP A 78 20.975 26.499 11.728 1.00 74.32 H new ATOM 1211 N VAL A 79 19.225 24.368 13.903 1.00 70.42 N ATOM 1212 CA VAL A 79 18.386 23.190 13.713 1.00 65.40 C ATOM 1213 C VAL A 79 16.945 23.457 14.160 1.00 5.45 C ATOM 1214 O VAL A 79 15.995 23.041 13.498 1.00 24.20 O ATOM 1215 CB VAL A 79 18.951 21.966 14.467 1.00 45.54 C ATOM 1216 CG1 VAL A 79 18.100 20.731 14.211 1.00 25.41 C ATOM 1217 CG2 VAL A 79 20.394 21.714 14.059 1.00 2.33 C ATOM 0 H VAL A 79 20.021 24.223 14.524 1.00 70.42 H new ATOM 0 HA VAL A 79 18.385 22.968 12.646 1.00 65.40 H new ATOM 0 HB VAL A 79 18.923 22.180 15.535 1.00 45.54 H new ATOM 0 HG11 VAL A 79 18.518 19.882 14.753 1.00 25.41 H new ATOM 0 HG12 VAL A 79 17.081 20.914 14.553 1.00 25.41 H new ATOM 0 HG13 VAL A 79 18.090 20.511 13.144 1.00 25.41 H new ATOM 0 HG21 VAL A 79 20.779 20.849 14.598 1.00 2.33 H new ATOM 0 HG22 VAL A 79 20.441 21.524 12.987 1.00 2.33 H new ATOM 0 HG23 VAL A 79 20.998 22.589 14.299 1.00 2.33 H new ATOM 1227 N GLU A 80 16.787 24.164 15.273 1.00 62.32 N ATOM 1228 CA GLU A 80 15.461 24.522 15.768 1.00 15.51 C ATOM 1229 C GLU A 80 14.768 25.472 14.787 1.00 42.51 C ATOM 1230 O GLU A 80 13.572 25.329 14.497 1.00 73.11 O ATOM 1231 CB GLU A 80 15.572 25.160 17.157 1.00 72.14 C ATOM 1232 CG GLU A 80 14.233 25.506 17.789 1.00 41.52 C ATOM 1233 CD GLU A 80 14.356 25.880 19.253 1.00 51.12 C ATOM 1234 OE1 GLU A 80 14.404 24.964 20.099 1.00 23.22 O ATOM 1235 OE2 GLU A 80 14.397 27.092 19.567 1.00 11.14 O ATOM 0 H GLU A 80 17.558 24.501 15.849 1.00 62.32 H new ATOM 0 HA GLU A 80 14.858 23.618 15.852 1.00 15.51 H new ATOM 0 HB2 GLU A 80 16.108 24.478 17.817 1.00 72.14 H new ATOM 0 HB3 GLU A 80 16.172 26.067 17.082 1.00 72.14 H new ATOM 0 HG2 GLU A 80 13.782 26.335 17.243 1.00 41.52 H new ATOM 0 HG3 GLU A 80 13.559 24.655 17.691 1.00 41.52 H new ATOM 1242 N ARG A 81 15.537 26.421 14.260 1.00 50.40 N ATOM 1243 CA ARG A 81 15.021 27.390 13.300 1.00 73.35 C ATOM 1244 C ARG A 81 14.521 26.687 12.042 1.00 24.52 C ATOM 1245 O ARG A 81 13.378 26.880 11.625 1.00 72.03 O ATOM 1246 CB ARG A 81 16.105 28.406 12.925 1.00 51.11 C ATOM 1247 CG ARG A 81 15.598 29.547 12.056 1.00 33.12 C ATOM 1248 CD ARG A 81 16.738 30.412 11.544 1.00 12.04 C ATOM 1249 NE ARG A 81 16.254 31.622 10.877 1.00 54.21 N ATOM 1250 CZ ARG A 81 16.710 32.064 9.703 1.00 1.12 C ATOM 1251 NH1 ARG A 81 17.604 31.358 9.025 1.00 25.34 N ATOM 1252 NH2 ARG A 81 16.250 33.203 9.194 1.00 65.00 N ATOM 0 H ARG A 81 16.525 26.539 14.484 1.00 50.40 H new ATOM 0 HA ARG A 81 14.188 27.915 13.767 1.00 73.35 H new ATOM 0 HB2 ARG A 81 16.535 28.819 13.838 1.00 51.11 H new ATOM 0 HB3 ARG A 81 16.908 27.890 12.399 1.00 51.11 H new ATOM 0 HG2 ARG A 81 15.041 29.142 11.211 1.00 33.12 H new ATOM 0 HG3 ARG A 81 14.904 30.161 12.630 1.00 33.12 H new ATOM 0 HD2 ARG A 81 17.383 30.691 12.377 1.00 12.04 H new ATOM 0 HD3 ARG A 81 17.347 29.834 10.849 1.00 12.04 H new ATOM 0 HE ARG A 81 15.522 32.162 11.339 1.00 54.21 H new ATOM 0 HH11 ARG A 81 17.946 30.473 9.400 1.00 25.34 H new ATOM 0 HH12 ARG A 81 17.950 31.699 8.128 1.00 25.34 H new ATOM 0 HH21 ARG A 81 15.547 33.741 9.701 1.00 65.00 H new ATOM 0 HH22 ARG A 81 16.600 33.539 8.297 1.00 65.00 H new ATOM 1266 N VAL A 82 15.378 25.862 11.447 1.00 32.54 N ATOM 1267 CA VAL A 82 15.029 25.160 10.217 1.00 71.44 C ATOM 1268 C VAL A 82 13.879 24.181 10.462 1.00 64.30 C ATOM 1269 O VAL A 82 13.030 23.982 9.594 1.00 33.50 O ATOM 1270 CB VAL A 82 16.245 24.416 9.606 1.00 10.34 C ATOM 1271 CG1 VAL A 82 16.638 23.202 10.433 1.00 44.34 C ATOM 1272 CG2 VAL A 82 15.967 24.016 8.167 1.00 23.43 C ATOM 0 H VAL A 82 16.316 25.664 11.796 1.00 32.54 H new ATOM 0 HA VAL A 82 14.708 25.913 9.498 1.00 71.44 H new ATOM 0 HB VAL A 82 17.087 25.108 9.617 1.00 10.34 H new ATOM 0 HG11 VAL A 82 17.493 22.709 9.971 1.00 44.34 H new ATOM 0 HG12 VAL A 82 16.903 23.519 11.442 1.00 44.34 H new ATOM 0 HG13 VAL A 82 15.800 22.507 10.480 1.00 44.34 H new ATOM 0 HG21 VAL A 82 16.834 23.496 7.760 1.00 23.43 H new ATOM 0 HG22 VAL A 82 15.100 23.357 8.134 1.00 23.43 H new ATOM 0 HG23 VAL A 82 15.767 24.908 7.573 1.00 23.43 H new ATOM 1282 N ARG A 83 13.840 23.597 11.658 1.00 12.43 N ATOM 1283 CA ARG A 83 12.762 22.690 12.029 1.00 22.25 C ATOM 1284 C ARG A 83 11.424 23.417 11.990 1.00 63.13 C ATOM 1285 O ARG A 83 10.480 22.961 11.348 1.00 31.24 O ATOM 1286 CB ARG A 83 13.006 22.104 13.423 1.00 63.22 C ATOM 1287 CG ARG A 83 11.912 21.156 13.887 1.00 61.31 C ATOM 1288 CD ARG A 83 12.221 20.576 15.259 1.00 74.43 C ATOM 1289 NE ARG A 83 12.301 21.613 16.289 1.00 41.44 N ATOM 1290 CZ ARG A 83 12.921 21.457 17.457 1.00 73.12 C ATOM 1291 NH1 ARG A 83 13.521 20.308 17.746 1.00 20.14 N ATOM 1292 NH2 ARG A 83 12.935 22.448 18.341 1.00 15.30 N ATOM 0 H ARG A 83 14.543 23.737 12.384 1.00 12.43 H new ATOM 0 HA ARG A 83 12.738 21.871 11.310 1.00 22.25 H new ATOM 0 HB2 ARG A 83 13.958 21.574 13.423 1.00 63.22 H new ATOM 0 HB3 ARG A 83 13.096 22.920 14.140 1.00 63.22 H new ATOM 0 HG2 ARG A 83 10.960 21.686 13.921 1.00 61.31 H new ATOM 0 HG3 ARG A 83 11.800 20.347 13.165 1.00 61.31 H new ATOM 0 HD2 ARG A 83 11.449 19.855 15.530 1.00 74.43 H new ATOM 0 HD3 ARG A 83 13.165 20.032 15.218 1.00 74.43 H new ATOM 0 HE ARG A 83 11.854 22.510 16.100 1.00 41.44 H new ATOM 0 HH11 ARG A 83 13.508 19.542 17.072 1.00 20.14 H new ATOM 0 HH12 ARG A 83 13.995 20.191 18.642 1.00 20.14 H new ATOM 0 HH21 ARG A 83 12.470 23.330 18.126 1.00 15.30 H new ATOM 0 HH22 ARG A 83 13.410 22.327 19.235 1.00 15.30 H new ATOM 1306 N ALA A 84 11.359 24.563 12.657 1.00 12.14 N ATOM 1307 CA ALA A 84 10.133 25.354 12.693 1.00 60.24 C ATOM 1308 C ALA A 84 9.777 25.885 11.306 1.00 70.42 C ATOM 1309 O ALA A 84 8.602 25.992 10.952 1.00 23.24 O ATOM 1310 CB ALA A 84 10.274 26.502 13.680 1.00 63.52 C ATOM 0 H ALA A 84 12.138 24.965 13.179 1.00 12.14 H new ATOM 0 HA ALA A 84 9.322 24.704 13.022 1.00 60.24 H new ATOM 0 HB1 ALA A 84 9.352 27.083 13.696 1.00 63.52 H new ATOM 0 HB2 ALA A 84 10.469 26.104 14.676 1.00 63.52 H new ATOM 0 HB3 ALA A 84 11.102 27.143 13.377 1.00 63.52 H new ATOM 1316 N ARG A 85 10.801 26.197 10.521 1.00 4.11 N ATOM 1317 CA ARG A 85 10.613 26.739 9.179 1.00 74.14 C ATOM 1318 C ARG A 85 10.020 25.685 8.240 1.00 31.20 C ATOM 1319 O ARG A 85 9.114 25.976 7.460 1.00 12.24 O ATOM 1320 CB ARG A 85 11.954 27.241 8.631 1.00 14.31 C ATOM 1321 CG ARG A 85 11.840 28.093 7.376 1.00 15.44 C ATOM 1322 CD ARG A 85 10.989 29.327 7.622 1.00 12.24 C ATOM 1323 NE ARG A 85 11.070 30.289 6.523 1.00 30.11 N ATOM 1324 CZ ARG A 85 10.083 30.513 5.657 1.00 74.23 C ATOM 1325 NH1 ARG A 85 8.989 29.767 5.688 1.00 74.02 N ATOM 1326 NH2 ARG A 85 10.193 31.469 4.742 1.00 62.23 N ATOM 0 H ARG A 85 11.778 26.083 10.793 1.00 4.11 H new ATOM 0 HA ARG A 85 9.912 27.572 9.237 1.00 74.14 H new ATOM 0 HB2 ARG A 85 12.455 27.822 9.406 1.00 14.31 H new ATOM 0 HB3 ARG A 85 12.589 26.382 8.416 1.00 14.31 H new ATOM 0 HG2 ARG A 85 12.834 28.394 7.047 1.00 15.44 H new ATOM 0 HG3 ARG A 85 11.403 27.502 6.571 1.00 15.44 H new ATOM 0 HD2 ARG A 85 9.951 29.027 7.762 1.00 12.24 H new ATOM 0 HD3 ARG A 85 11.310 29.808 8.546 1.00 12.24 H new ATOM 0 HE ARG A 85 11.934 30.820 6.413 1.00 30.11 H new ATOM 0 HH11 ARG A 85 8.901 29.019 6.376 1.00 74.02 H new ATOM 0 HH12 ARG A 85 8.234 29.940 5.024 1.00 74.02 H new ATOM 0 HH21 ARG A 85 11.038 32.038 4.698 1.00 62.23 H new ATOM 0 HH22 ARG A 85 9.432 31.634 4.083 1.00 62.23 H new ATOM 1340 N LEU A 86 10.529 24.463 8.334 1.00 63.41 N ATOM 1341 CA LEU A 86 10.087 23.377 7.461 1.00 3.23 C ATOM 1342 C LEU A 86 8.773 22.768 7.940 1.00 51.33 C ATOM 1343 O LEU A 86 7.927 22.396 7.126 1.00 11.12 O ATOM 1344 CB LEU A 86 11.167 22.290 7.368 1.00 64.25 C ATOM 1345 CG LEU A 86 12.216 22.479 6.263 1.00 51.31 C ATOM 1346 CD1 LEU A 86 11.582 22.319 4.892 1.00 63.43 C ATOM 1347 CD2 LEU A 86 12.890 23.836 6.371 1.00 3.31 C ATOM 0 H LEU A 86 11.249 24.197 9.006 1.00 63.41 H new ATOM 0 HA LEU A 86 9.919 23.801 6.471 1.00 3.23 H new ATOM 0 HB2 LEU A 86 11.683 22.235 8.326 1.00 64.25 H new ATOM 0 HB3 LEU A 86 10.676 21.329 7.215 1.00 64.25 H new ATOM 0 HG LEU A 86 12.977 21.709 6.392 1.00 51.31 H new ATOM 0 HD11 LEU A 86 12.341 22.456 4.122 1.00 63.43 H new ATOM 0 HD12 LEU A 86 11.152 21.321 4.804 1.00 63.43 H new ATOM 0 HD13 LEU A 86 10.797 23.064 4.765 1.00 63.43 H new ATOM 0 HD21 LEU A 86 13.628 23.940 5.575 1.00 3.31 H new ATOM 0 HD22 LEU A 86 12.141 24.623 6.277 1.00 3.31 H new ATOM 0 HD23 LEU A 86 13.386 23.920 7.338 1.00 3.31 H new ATOM 1359 N ALA A 87 8.597 22.688 9.259 1.00 64.31 N ATOM 1360 CA ALA A 87 7.415 22.057 9.849 1.00 55.30 C ATOM 1361 C ALA A 87 6.127 22.757 9.432 1.00 40.51 C ATOM 1362 O ALA A 87 5.063 22.137 9.384 1.00 60.31 O ATOM 1363 CB ALA A 87 7.523 22.033 11.365 1.00 2.20 C ATOM 0 H ALA A 87 9.260 23.054 9.942 1.00 64.31 H new ATOM 0 HA ALA A 87 7.376 21.034 9.474 1.00 55.30 H new ATOM 0 HB1 ALA A 87 6.635 21.560 11.786 1.00 2.20 H new ATOM 0 HB2 ALA A 87 8.408 21.468 11.658 1.00 2.20 H new ATOM 0 HB3 ALA A 87 7.603 23.053 11.740 1.00 2.20 H new ATOM 1369 N ALA A 88 6.229 24.043 9.122 1.00 12.20 N ATOM 1370 CA ALA A 88 5.072 24.829 8.715 1.00 35.54 C ATOM 1371 C ALA A 88 4.462 24.291 7.422 1.00 70.35 C ATOM 1372 O ALA A 88 3.260 24.418 7.191 1.00 34.21 O ATOM 1373 CB ALA A 88 5.463 26.289 8.549 1.00 1.20 C ATOM 0 H ALA A 88 7.105 24.565 9.145 1.00 12.20 H new ATOM 0 HA ALA A 88 4.317 24.750 9.498 1.00 35.54 H new ATOM 0 HB1 ALA A 88 4.590 26.867 8.245 1.00 1.20 H new ATOM 0 HB2 ALA A 88 5.841 26.674 9.496 1.00 1.20 H new ATOM 0 HB3 ALA A 88 6.238 26.374 7.787 1.00 1.20 H new ATOM 1379 N GLN A 89 5.293 23.673 6.589 1.00 43.22 N ATOM 1380 CA GLN A 89 4.839 23.135 5.312 1.00 34.15 C ATOM 1381 C GLN A 89 4.694 21.615 5.370 1.00 43.51 C ATOM 1382 O GLN A 89 4.420 20.970 4.357 1.00 25.11 O ATOM 1383 CB GLN A 89 5.800 23.527 4.184 1.00 71.20 C ATOM 1384 CG GLN A 89 5.488 24.869 3.528 1.00 64.44 C ATOM 1385 CD GLN A 89 5.617 26.052 4.469 1.00 71.20 C ATOM 1386 OE1 GLN A 89 4.656 26.448 5.129 1.00 75.44 O ATOM 1387 NE2 GLN A 89 6.801 26.639 4.523 1.00 62.23 N ATOM 0 H GLN A 89 6.286 23.532 6.776 1.00 43.22 H new ATOM 0 HA GLN A 89 3.859 23.565 5.105 1.00 34.15 H new ATOM 0 HB2 GLN A 89 6.814 23.558 4.582 1.00 71.20 H new ATOM 0 HB3 GLN A 89 5.781 22.750 3.420 1.00 71.20 H new ATOM 0 HG2 GLN A 89 6.159 25.014 2.682 1.00 64.44 H new ATOM 0 HG3 GLN A 89 4.474 24.842 3.130 1.00 64.44 H new ATOM 0 HE21 GLN A 89 7.574 26.282 3.961 1.00 62.23 H new ATOM 0 HE22 GLN A 89 6.942 27.449 5.127 1.00 62.23 H new ATOM 1396 N GLY A 90 4.877 21.048 6.555 1.00 41.15 N ATOM 1397 CA GLY A 90 4.739 19.614 6.720 1.00 31.11 C ATOM 1398 C GLY A 90 5.940 18.991 7.402 1.00 31.14 C ATOM 1399 O GLY A 90 7.009 19.599 7.463 1.00 41.14 O ATOM 0 H GLY A 90 5.119 21.556 7.406 1.00 41.15 H new ATOM 0 HA2 GLY A 90 3.843 19.403 7.304 1.00 31.11 H new ATOM 0 HA3 GLY A 90 4.599 19.151 5.743 1.00 31.11 H new ATOM 1403 N TRP A 91 5.771 17.780 7.918 1.00 1.05 N ATOM 1404 CA TRP A 91 6.856 17.084 8.592 1.00 21.13 C ATOM 1405 C TRP A 91 6.790 15.587 8.294 1.00 24.15 C ATOM 1406 O TRP A 91 6.002 14.858 8.893 1.00 54.32 O ATOM 1407 CB TRP A 91 6.783 17.333 10.100 1.00 54.31 C ATOM 1408 CG TRP A 91 8.086 17.120 10.804 1.00 20.42 C ATOM 1409 CD1 TRP A 91 8.422 16.088 11.632 1.00 65.12 C ATOM 1410 CD2 TRP A 91 9.231 17.973 10.737 1.00 12.15 C ATOM 1411 NE1 TRP A 91 9.710 16.250 12.086 1.00 72.51 N ATOM 1412 CE2 TRP A 91 10.228 17.402 11.548 1.00 54.41 C ATOM 1413 CE3 TRP A 91 9.509 19.168 10.066 1.00 43.04 C ATOM 1414 CZ2 TRP A 91 11.481 17.988 11.705 1.00 22.23 C ATOM 1415 CZ3 TRP A 91 10.751 19.745 10.223 1.00 21.42 C ATOM 1416 CH2 TRP A 91 11.722 19.155 11.036 1.00 15.43 C ATOM 0 H TRP A 91 4.893 17.261 7.882 1.00 1.05 H new ATOM 0 HA TRP A 91 7.806 17.468 8.221 1.00 21.13 H new ATOM 0 HB2 TRP A 91 6.447 18.355 10.276 1.00 54.31 H new ATOM 0 HB3 TRP A 91 6.033 16.672 10.533 1.00 54.31 H new ATOM 0 HD1 TRP A 91 7.772 15.266 11.892 1.00 65.12 H new ATOM 0 HE1 TRP A 91 10.200 15.618 12.719 1.00 72.51 H new ATOM 0 HE3 TRP A 91 8.764 19.631 9.436 1.00 43.04 H new ATOM 0 HZ2 TRP A 91 12.235 17.537 12.333 1.00 22.23 H new ATOM 0 HZ3 TRP A 91 10.977 20.668 9.709 1.00 21.42 H new ATOM 0 HH2 TRP A 91 12.685 19.632 11.138 1.00 15.43 H new ATOM 1427 N PRO A 92 7.598 15.118 7.332 1.00 64.14 N ATOM 1428 CA PRO A 92 7.636 13.719 6.928 1.00 60.55 C ATOM 1429 C PRO A 92 8.745 12.924 7.624 1.00 0.42 C ATOM 1430 O PRO A 92 9.294 11.977 7.055 1.00 12.41 O ATOM 1431 CB PRO A 92 7.919 13.835 5.432 1.00 45.11 C ATOM 1432 CG PRO A 92 8.717 15.097 5.271 1.00 23.52 C ATOM 1433 CD PRO A 92 8.522 15.922 6.525 1.00 20.11 C ATOM 0 HA PRO A 92 6.722 13.184 7.185 1.00 60.55 H new ATOM 0 HB2 PRO A 92 8.475 12.970 5.070 1.00 45.11 H new ATOM 0 HB3 PRO A 92 6.992 13.881 4.860 1.00 45.11 H new ATOM 0 HG2 PRO A 92 9.772 14.867 5.124 1.00 23.52 H new ATOM 0 HG3 PRO A 92 8.386 15.651 4.392 1.00 23.52 H new ATOM 0 HD2 PRO A 92 9.465 16.089 7.045 1.00 20.11 H new ATOM 0 HD3 PRO A 92 8.105 16.903 6.298 1.00 20.11 H new ATOM 1441 N LEU A 93 9.063 13.293 8.859 1.00 21.21 N ATOM 1442 CA LEU A 93 10.123 12.616 9.600 1.00 44.02 C ATOM 1443 C LEU A 93 9.558 11.562 10.545 1.00 73.14 C ATOM 1444 O LEU A 93 10.291 10.964 11.331 1.00 62.40 O ATOM 1445 CB LEU A 93 10.988 13.612 10.380 1.00 23.12 C ATOM 1446 CG LEU A 93 12.116 14.276 9.579 1.00 64.11 C ATOM 1447 CD1 LEU A 93 11.561 15.262 8.564 1.00 64.22 C ATOM 1448 CD2 LEU A 93 13.095 14.964 10.515 1.00 63.12 C ATOM 0 H LEU A 93 8.607 14.051 9.366 1.00 21.21 H new ATOM 0 HA LEU A 93 10.753 12.116 8.864 1.00 44.02 H new ATOM 0 HB2 LEU A 93 10.341 14.393 10.780 1.00 23.12 H new ATOM 0 HB3 LEU A 93 11.427 13.095 11.233 1.00 23.12 H new ATOM 0 HG LEU A 93 12.647 13.497 9.031 1.00 64.11 H new ATOM 0 HD11 LEU A 93 12.383 15.717 8.011 1.00 64.22 H new ATOM 0 HD12 LEU A 93 10.903 14.738 7.870 1.00 64.22 H new ATOM 0 HD13 LEU A 93 10.998 16.039 9.082 1.00 64.22 H new ATOM 0 HD21 LEU A 93 13.889 15.430 9.932 1.00 63.12 H new ATOM 0 HD22 LEU A 93 12.572 15.727 11.091 1.00 63.12 H new ATOM 0 HD23 LEU A 93 13.527 14.229 11.194 1.00 63.12 H new ATOM 1460 N ASP A 94 8.261 11.327 10.460 1.00 75.24 N ATOM 1461 CA ASP A 94 7.622 10.286 11.226 1.00 4.40 C ATOM 1462 C ASP A 94 6.985 9.306 10.264 1.00 41.41 C ATOM 1463 O ASP A 94 6.544 9.675 9.176 1.00 14.45 O ATOM 1464 CB ASP A 94 6.591 10.853 12.210 1.00 63.34 C ATOM 1465 CG ASP A 94 5.499 11.663 11.542 1.00 62.41 C ATOM 1466 OD1 ASP A 94 5.756 12.833 11.192 1.00 74.41 O ATOM 1467 OD2 ASP A 94 4.371 11.145 11.392 1.00 43.30 O ATOM 0 H ASP A 94 7.627 11.854 9.858 1.00 75.24 H new ATOM 0 HA ASP A 94 8.370 9.774 11.831 1.00 4.40 H new ATOM 0 HB2 ASP A 94 6.136 10.030 12.761 1.00 63.34 H new ATOM 0 HB3 ASP A 94 7.103 11.481 12.939 1.00 63.34 H new ATOM 1472 N ASP A 95 6.985 8.062 10.660 1.00 73.02 N ATOM 1473 CA ASP A 95 6.581 6.968 9.786 1.00 2.34 C ATOM 1474 C ASP A 95 5.155 6.518 10.077 1.00 51.34 C ATOM 1475 O ASP A 95 4.492 7.058 10.961 1.00 12.12 O ATOM 1476 CB ASP A 95 7.549 5.795 9.941 1.00 41.44 C ATOM 1477 CG ASP A 95 8.973 6.173 9.581 1.00 74.21 C ATOM 1478 OD1 ASP A 95 9.294 6.232 8.373 1.00 54.30 O ATOM 1479 OD2 ASP A 95 9.784 6.419 10.505 1.00 34.21 O ATOM 0 H ASP A 95 7.263 7.767 11.596 1.00 73.02 H new ATOM 0 HA ASP A 95 6.611 7.328 8.758 1.00 2.34 H new ATOM 0 HB2 ASP A 95 7.520 5.436 10.970 1.00 41.44 H new ATOM 0 HB3 ASP A 95 7.223 4.971 9.306 1.00 41.44 H new ATOM 1484 N VAL A 96 4.694 5.521 9.328 1.00 71.32 N ATOM 1485 CA VAL A 96 3.327 5.030 9.457 1.00 22.53 C ATOM 1486 C VAL A 96 3.107 4.329 10.796 1.00 14.41 C ATOM 1487 O VAL A 96 3.594 3.219 11.022 1.00 35.44 O ATOM 1488 CB VAL A 96 2.957 4.066 8.310 1.00 52.40 C ATOM 1489 CG1 VAL A 96 1.522 3.577 8.453 1.00 14.32 C ATOM 1490 CG2 VAL A 96 3.158 4.742 6.962 1.00 21.21 C ATOM 0 H VAL A 96 5.250 5.036 8.623 1.00 71.32 H new ATOM 0 HA VAL A 96 2.679 5.905 9.404 1.00 22.53 H new ATOM 0 HB VAL A 96 3.617 3.201 8.367 1.00 52.40 H new ATOM 0 HG11 VAL A 96 1.285 2.899 7.633 1.00 14.32 H new ATOM 0 HG12 VAL A 96 1.409 3.052 9.402 1.00 14.32 H new ATOM 0 HG13 VAL A 96 0.843 4.429 8.427 1.00 14.32 H new ATOM 0 HG21 VAL A 96 2.893 4.049 6.164 1.00 21.21 H new ATOM 0 HG22 VAL A 96 2.524 5.626 6.900 1.00 21.21 H new ATOM 0 HG23 VAL A 96 4.202 5.036 6.855 1.00 21.21 H new ATOM 1500 N ARG A 97 2.387 5.003 11.680 1.00 41.12 N ATOM 1501 CA ARG A 97 2.008 4.446 12.971 1.00 64.31 C ATOM 1502 C ARG A 97 0.494 4.288 13.028 1.00 4.21 C ATOM 1503 O ARG A 97 -0.241 5.178 12.595 1.00 42.12 O ATOM 1504 CB ARG A 97 2.490 5.360 14.103 1.00 63.00 C ATOM 1505 CG ARG A 97 4.003 5.453 14.208 1.00 70.22 C ATOM 1506 CD ARG A 97 4.601 4.191 14.810 1.00 74.05 C ATOM 1507 NE ARG A 97 4.313 4.080 16.241 1.00 74.14 N ATOM 1508 CZ ARG A 97 4.010 2.937 16.860 1.00 21.31 C ATOM 1509 NH1 ARG A 97 3.909 1.805 16.175 1.00 42.30 N ATOM 1510 NH2 ARG A 97 3.802 2.925 18.169 1.00 4.22 N ATOM 0 H ARG A 97 2.048 5.952 11.523 1.00 41.12 H new ATOM 0 HA ARG A 97 2.476 3.469 13.094 1.00 64.31 H new ATOM 0 HB2 ARG A 97 2.083 6.359 13.950 1.00 63.00 H new ATOM 0 HB3 ARG A 97 2.090 4.994 15.049 1.00 63.00 H new ATOM 0 HG2 ARG A 97 4.427 5.621 13.218 1.00 70.22 H new ATOM 0 HG3 ARG A 97 4.274 6.313 14.821 1.00 70.22 H new ATOM 0 HD2 ARG A 97 4.205 3.318 14.291 1.00 74.05 H new ATOM 0 HD3 ARG A 97 5.680 4.191 14.656 1.00 74.05 H new ATOM 0 HE ARG A 97 4.346 4.932 16.801 1.00 74.14 H new ATOM 0 HH11 ARG A 97 4.063 1.804 15.167 1.00 42.30 H new ATOM 0 HH12 ARG A 97 3.677 0.936 16.657 1.00 42.30 H new ATOM 0 HH21 ARG A 97 3.873 3.790 18.705 1.00 4.22 H new ATOM 0 HH22 ARG A 97 3.571 2.051 18.641 1.00 4.22 H new ATOM 1524 N ASP A 98 0.030 3.155 13.540 1.00 14.21 N ATOM 1525 CA ASP A 98 -1.403 2.882 13.608 1.00 30.32 C ATOM 1526 C ASP A 98 -2.095 3.783 14.619 1.00 50.43 C ATOM 1527 O ASP A 98 -1.578 4.029 15.710 1.00 33.41 O ATOM 1528 CB ASP A 98 -1.679 1.413 13.955 1.00 32.43 C ATOM 1529 CG ASP A 98 -1.536 0.489 12.762 1.00 72.12 C ATOM 1530 OD1 ASP A 98 -2.450 0.461 11.909 1.00 71.52 O ATOM 1531 OD2 ASP A 98 -0.513 -0.221 12.675 1.00 23.42 O ATOM 0 H ASP A 98 0.621 2.412 13.913 1.00 14.21 H new ATOM 0 HA ASP A 98 -1.809 3.091 12.618 1.00 30.32 H new ATOM 0 HB2 ASP A 98 -0.992 1.095 14.739 1.00 32.43 H new ATOM 0 HB3 ASP A 98 -2.687 1.323 14.359 1.00 32.43 H new ATOM 1536 N ARG A 99 -3.268 4.265 14.236 1.00 40.24 N ATOM 1537 CA ARG A 99 -4.089 5.109 15.076 1.00 32.23 C ATOM 1538 C ARG A 99 -5.531 4.943 14.648 1.00 22.32 C ATOM 1539 O ARG A 99 -5.916 5.377 13.561 1.00 1.10 O ATOM 1540 CB ARG A 99 -3.690 6.585 14.954 1.00 64.42 C ATOM 1541 CG ARG A 99 -4.710 7.529 15.577 1.00 3.52 C ATOM 1542 CD ARG A 99 -4.482 8.972 15.157 1.00 23.24 C ATOM 1543 NE ARG A 99 -3.507 9.656 16.001 1.00 64.52 N ATOM 1544 CZ ARG A 99 -2.991 10.852 15.719 1.00 3.44 C ATOM 1545 NH1 ARG A 99 -3.261 11.439 14.557 1.00 14.30 N ATOM 1546 NH2 ARG A 99 -2.194 11.451 16.592 1.00 71.43 N ATOM 0 H ARG A 99 -3.677 4.076 13.321 1.00 40.24 H new ATOM 0 HA ARG A 99 -3.951 4.812 16.116 1.00 32.23 H new ATOM 0 HB2 ARG A 99 -2.723 6.735 15.434 1.00 64.42 H new ATOM 0 HB3 ARG A 99 -3.566 6.837 13.901 1.00 64.42 H new ATOM 0 HG2 ARG A 99 -5.714 7.221 15.286 1.00 3.52 H new ATOM 0 HG3 ARG A 99 -4.656 7.455 16.663 1.00 3.52 H new ATOM 0 HD2 ARG A 99 -4.141 8.995 14.122 1.00 23.24 H new ATOM 0 HD3 ARG A 99 -5.429 9.511 15.193 1.00 23.24 H new ATOM 0 HE ARG A 99 -3.203 9.191 16.857 1.00 64.52 H new ATOM 0 HH11 ARG A 99 -3.864 10.974 13.879 1.00 14.30 H new ATOM 0 HH12 ARG A 99 -2.865 12.354 14.344 1.00 14.30 H new ATOM 0 HH21 ARG A 99 -1.976 10.997 17.479 1.00 71.43 H new ATOM 0 HH22 ARG A 99 -1.799 12.366 16.377 1.00 71.43 H new ATOM 1560 N GLU A 100 -6.322 4.294 15.472 1.00 14.13 N ATOM 1561 CA GLU A 100 -7.708 4.105 15.134 1.00 21.13 C ATOM 1562 C GLU A 100 -8.601 4.933 16.054 1.00 70.42 C ATOM 1563 O GLU A 100 -8.870 4.559 17.198 1.00 75.53 O ATOM 1564 CB GLU A 100 -8.101 2.621 15.163 1.00 10.32 C ATOM 1565 CG GLU A 100 -7.807 1.914 16.475 1.00 41.30 C ATOM 1566 CD GLU A 100 -8.398 0.524 16.517 1.00 40.11 C ATOM 1567 OE1 GLU A 100 -9.631 0.401 16.677 1.00 2.33 O ATOM 1568 OE2 GLU A 100 -7.638 -0.454 16.369 1.00 63.33 O ATOM 0 H GLU A 100 -6.033 3.895 16.365 1.00 14.13 H new ATOM 0 HA GLU A 100 -7.854 4.454 14.112 1.00 21.13 H new ATOM 0 HB2 GLU A 100 -9.167 2.537 14.951 1.00 10.32 H new ATOM 0 HB3 GLU A 100 -7.575 2.104 14.361 1.00 10.32 H new ATOM 0 HG2 GLU A 100 -6.728 1.853 16.620 1.00 41.30 H new ATOM 0 HG3 GLU A 100 -8.207 2.502 17.301 1.00 41.30 H new ATOM 1575 N GLU A 101 -9.013 6.086 15.566 1.00 40.31 N ATOM 1576 CA GLU A 101 -9.943 6.929 16.289 1.00 43.23 C ATOM 1577 C GLU A 101 -11.245 7.028 15.511 1.00 61.40 C ATOM 1578 O GLU A 101 -11.376 7.852 14.602 1.00 65.34 O ATOM 1579 CB GLU A 101 -9.348 8.318 16.538 1.00 33.35 C ATOM 1580 CG GLU A 101 -8.146 8.307 17.471 1.00 52.03 C ATOM 1581 CD GLU A 101 -7.655 9.701 17.806 1.00 24.22 C ATOM 1582 OE1 GLU A 101 -8.473 10.524 18.269 1.00 41.45 O ATOM 1583 OE2 GLU A 101 -6.448 9.970 17.634 1.00 45.10 O ATOM 0 H GLU A 101 -8.716 6.462 14.666 1.00 40.31 H new ATOM 0 HA GLU A 101 -10.143 6.481 17.263 1.00 43.23 H new ATOM 0 HB2 GLU A 101 -9.053 8.754 15.584 1.00 33.35 H new ATOM 0 HB3 GLU A 101 -10.118 8.964 16.959 1.00 33.35 H new ATOM 0 HG2 GLU A 101 -8.411 7.788 18.392 1.00 52.03 H new ATOM 0 HG3 GLU A 101 -7.337 7.742 17.008 1.00 52.03 H new ATOM 1590 N HIS A 102 -12.187 6.155 15.848 1.00 21.45 N ATOM 1591 CA HIS A 102 -13.455 6.090 15.135 1.00 25.33 C ATOM 1592 C HIS A 102 -14.257 7.371 15.340 1.00 50.12 C ATOM 1593 O HIS A 102 -14.566 7.759 16.467 1.00 63.21 O ATOM 1594 CB HIS A 102 -14.272 4.844 15.538 1.00 45.51 C ATOM 1595 CG HIS A 102 -14.497 4.666 17.013 1.00 1.23 C ATOM 1596 ND1 HIS A 102 -13.855 3.699 17.761 1.00 23.13 N ATOM 1597 CD2 HIS A 102 -15.318 5.316 17.872 1.00 10.20 C ATOM 1598 CE1 HIS A 102 -14.272 3.767 19.013 1.00 13.04 C ATOM 1599 NE2 HIS A 102 -15.156 4.738 19.104 1.00 5.31 N ATOM 0 H HIS A 102 -12.096 5.483 16.610 1.00 21.45 H new ATOM 0 HA HIS A 102 -13.234 5.997 14.072 1.00 25.33 H new ATOM 0 HB2 HIS A 102 -15.242 4.892 15.044 1.00 45.51 H new ATOM 0 HB3 HIS A 102 -13.763 3.959 15.157 1.00 45.51 H new ATOM 0 HD2 HIS A 102 -15.977 6.137 17.631 1.00 10.20 H new ATOM 0 HE1 HIS A 102 -13.943 3.134 19.824 1.00 13.04 H new ATOM 0 HE2 HIS A 102 -15.643 5.016 19.956 1.00 5.31 H new ATOM 1608 N ALA A 103 -14.563 8.034 14.240 1.00 73.32 N ATOM 1609 CA ALA A 103 -15.300 9.281 14.277 1.00 31.42 C ATOM 1610 C ALA A 103 -16.301 9.333 13.136 1.00 64.31 C ATOM 1611 O ALA A 103 -15.916 9.737 12.020 1.00 52.35 O ATOM 1612 CB ALA A 103 -14.345 10.463 14.207 1.00 51.41 C ATOM 1613 OXT ALA A 103 -17.464 8.941 13.355 1.00 0.00 O ATOM 0 H ALA A 103 -14.309 7.725 13.302 1.00 73.32 H new ATOM 0 HA ALA A 103 -15.846 9.337 15.219 1.00 31.42 H new ATOM 0 HB1 ALA A 103 -14.914 11.392 14.236 1.00 51.41 H new ATOM 0 HB2 ALA A 103 -13.662 10.429 15.055 1.00 51.41 H new ATOM 0 HB3 ALA A 103 -13.774 10.415 13.279 1.00 51.41 H new TER 1619 ALA A 103