USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 877 hydrogens (128 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 NoAdj-H: A 17 MLY H2 : A 17 MLY N : A 16 PRO C :(H bumps) USER MOD NoAdj-H: A 34 MLY H2 : A 34 MLY N : A 33 GLY C :(H bumps) USER MOD NoAdj-H: A 35 MLY H2 : A 35 MLY N : A 34 MLY C :(H bumps) USER MOD NoAdj-H: A 44 MLY H2 : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 44 MLY H : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 47 MLY H2 : A 47 MLY N : A 46 PHE C :(H bumps) USER MOD NoAdj-H: A 52 MLY H2 : A 52 MLY N : A 51 GLY C :(H bumps) USER MOD NoAdj-H: A 73 MLY H2 : A 73 MLY N : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 105 MLY H2 : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD NoAdj-H: A 105 MLY H : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD Set 1.1: A 25 HIS : no HD1:sc= -2.95! X(o=-1.9!,f=-2.2) USER MOD Set 1.2: A 39 SER OG : rot 82:sc= 1.09 USER MOD Set 2.1: A 27 THR OG1 : rot 180:sc= -0.0244 USER MOD Set 2.2: A 38 SER OG : rot 26:sc= -2.08 USER MOD Set 3.1: A 20 GLN :FLIP amide:sc= -0.126 F(o=-3.9!,f=-1.7) USER MOD Set 3.2: A 22 CYS SG : rot 80:sc= -1.58 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc= 0 F(o=-2.3!,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -152:sc= -0.0505 (180deg=-0.51) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -53:sc= 1.46 USER MOD Single : A 26 TYR OH : rot 147:sc= 0.543 USER MOD Single : A 29 MET CE :methyl -158:sc=-0.00242 (180deg=-0.697) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0.659 K(o=0.66,f=-1.1) USER MOD Single : A 66 MET CE :methyl -176:sc= -2.63! (180deg=-2.81!) USER MOD Single : A 67 SER OG : rot -100:sc= 0.475 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.437 F(o=-1.1,f=-0.44) USER MOD Single : A 75 THR OG1 : rot 73:sc= 0.103 USER MOD Single : A 77 SER OG : rot -78:sc= 0.951 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.138 F(o=-0.76,f=-0.14) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 119:sc= 0.454 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -8.123 -17.483 -17.633 1.00 23.20 N ATOM 2 CA GLY A -3 -9.431 -17.661 -17.028 1.00 43.12 C ATOM 3 C GLY A -3 -9.649 -16.753 -15.820 1.00 10.33 C ATOM 4 O GLY A -3 -10.524 -15.884 -15.872 1.00 34.23 O ATOM 0 H1 GLY A -3 -8.174 -17.717 -18.645 1.00 23.20 H new ATOM 0 H2 GLY A -3 -7.820 -16.494 -17.521 1.00 23.20 H new ATOM 0 H3 GLY A -3 -7.437 -18.110 -17.167 1.00 23.20 H new ATOM 0 HA2 GLY A -3 -10.202 -17.460 -17.772 1.00 43.12 H new ATOM 0 HA3 GLY A -3 -9.547 -18.701 -16.722 1.00 43.12 H new ATOM 8 N PRO A -2 -8.870 -16.919 -14.702 1.00 43.42 N ATOM 9 CA PRO A -2 -9.015 -16.084 -13.492 1.00 72.12 C ATOM 10 C PRO A -2 -8.429 -14.681 -13.667 1.00 24.33 C ATOM 11 O PRO A -2 -7.546 -14.471 -14.505 1.00 1.42 O ATOM 12 CB PRO A -2 -8.229 -16.852 -12.412 1.00 65.32 C ATOM 13 CG PRO A -2 -7.857 -18.162 -13.027 1.00 23.11 C ATOM 14 CD PRO A -2 -7.807 -17.927 -14.506 1.00 3.14 C ATOM 0 HA PRO A -2 -10.065 -15.928 -13.246 1.00 72.12 H new ATOM 0 HB2 PRO A -2 -7.341 -16.298 -12.107 1.00 65.32 H new ATOM 0 HB3 PRO A -2 -8.835 -16.999 -11.518 1.00 65.32 H new ATOM 0 HG2 PRO A -2 -6.893 -18.508 -12.654 1.00 23.11 H new ATOM 0 HG3 PRO A -2 -8.589 -18.931 -12.779 1.00 23.11 H new ATOM 0 HD2 PRO A -2 -6.833 -17.558 -14.826 1.00 3.14 H new ATOM 0 HD3 PRO A -2 -8.003 -18.839 -15.069 1.00 3.14 H new ATOM 22 N SER A -1 -8.931 -13.735 -12.868 1.00 54.30 N ATOM 23 CA SER A -1 -8.472 -12.347 -12.916 1.00 74.21 C ATOM 24 C SER A -1 -8.070 -11.858 -11.529 1.00 44.31 C ATOM 25 O SER A -1 -8.668 -12.257 -10.525 1.00 24.24 O ATOM 26 CB SER A -1 -9.567 -11.446 -13.490 1.00 35.31 C ATOM 27 OG SER A -1 -9.920 -11.843 -14.803 1.00 34.24 O ATOM 0 H SER A -1 -9.660 -13.909 -12.176 1.00 54.30 H new ATOM 0 HA SER A -1 -7.597 -12.302 -13.564 1.00 74.21 H new ATOM 0 HB2 SER A -1 -10.446 -11.483 -12.847 1.00 35.31 H new ATOM 0 HB3 SER A -1 -9.223 -10.412 -13.500 1.00 35.31 H new ATOM 0 HG SER A -1 -10.623 -11.252 -15.146 1.00 34.24 H new ATOM 33 N MET A 0 -7.053 -10.992 -11.487 1.00 71.24 N ATOM 34 CA MET A 0 -6.552 -10.433 -10.229 1.00 20.33 C ATOM 35 C MET A 0 -7.088 -9.023 -10.004 1.00 73.21 C ATOM 36 O MET A 0 -7.334 -8.284 -10.962 1.00 22.03 O ATOM 37 CB MET A 0 -5.020 -10.412 -10.221 1.00 31.50 C ATOM 38 CG MET A 0 -4.385 -11.781 -10.017 1.00 40.30 C ATOM 39 SD MET A 0 -4.762 -12.490 -8.402 1.00 23.03 S ATOM 40 CE MET A 0 -3.876 -14.043 -8.499 1.00 60.20 C ATOM 0 H MET A 0 -6.558 -10.662 -12.316 1.00 71.24 H new ATOM 0 HA MET A 0 -6.904 -11.072 -9.419 1.00 20.33 H new ATOM 0 HB2 MET A 0 -4.667 -9.996 -11.165 1.00 31.50 H new ATOM 0 HB3 MET A 0 -4.680 -9.743 -9.430 1.00 31.50 H new ATOM 0 HG2 MET A 0 -4.733 -12.458 -10.797 1.00 40.30 H new ATOM 0 HG3 MET A 0 -3.304 -11.696 -10.128 1.00 40.30 H new ATOM 0 HE1 MET A 0 -4.013 -14.598 -7.571 1.00 60.20 H new ATOM 0 HE2 MET A 0 -4.261 -14.630 -9.333 1.00 60.20 H new ATOM 0 HE3 MET A 0 -2.815 -13.847 -8.652 1.00 60.20 H new ATOM 50 N GLY A 1 -7.264 -8.666 -8.728 1.00 60.01 N ATOM 51 CA GLY A 1 -7.768 -7.346 -8.368 1.00 13.55 C ATOM 52 C GLY A 1 -6.664 -6.372 -7.984 1.00 3.14 C ATOM 53 O GLY A 1 -6.870 -5.156 -8.022 1.00 44.31 O ATOM 0 H GLY A 1 -7.065 -9.273 -7.933 1.00 60.01 H new ATOM 0 HA2 GLY A 1 -8.330 -6.937 -9.207 1.00 13.55 H new ATOM 0 HA3 GLY A 1 -8.464 -7.444 -7.535 1.00 13.55 H new ATOM 57 N VAL A 2 -5.495 -6.911 -7.615 1.00 52.34 N ATOM 58 CA VAL A 2 -4.346 -6.094 -7.218 1.00 33.20 C ATOM 59 C VAL A 2 -3.159 -6.321 -8.174 1.00 63.10 C ATOM 60 O VAL A 2 -2.664 -7.444 -8.309 1.00 55.34 O ATOM 61 CB VAL A 2 -3.955 -6.352 -5.716 1.00 71.54 C ATOM 62 CG1 VAL A 2 -3.579 -7.811 -5.438 1.00 32.31 C ATOM 63 CG2 VAL A 2 -2.838 -5.418 -5.252 1.00 64.22 C ATOM 0 H VAL A 2 -5.322 -7.916 -7.584 1.00 52.34 H new ATOM 0 HA VAL A 2 -4.629 -5.044 -7.294 1.00 33.20 H new ATOM 0 HB VAL A 2 -4.852 -6.134 -5.137 1.00 71.54 H new ATOM 0 HG11 VAL A 2 -3.319 -7.926 -4.386 1.00 32.31 H new ATOM 0 HG12 VAL A 2 -4.425 -8.456 -5.675 1.00 32.31 H new ATOM 0 HG13 VAL A 2 -2.725 -8.091 -6.055 1.00 32.31 H new ATOM 0 HG21 VAL A 2 -2.597 -5.628 -4.210 1.00 64.22 H new ATOM 0 HG22 VAL A 2 -1.953 -5.576 -5.868 1.00 64.22 H new ATOM 0 HG23 VAL A 2 -3.166 -4.383 -5.347 1.00 64.22 H new ATOM 73 N GLN A 3 -2.725 -5.238 -8.833 1.00 54.51 N ATOM 74 CA GLN A 3 -1.602 -5.294 -9.776 1.00 12.04 C ATOM 75 C GLN A 3 -0.462 -4.392 -9.307 1.00 65.23 C ATOM 76 O GLN A 3 -0.624 -3.171 -9.213 1.00 65.11 O ATOM 77 CB GLN A 3 -2.043 -4.882 -11.191 1.00 73.14 C ATOM 78 CG GLN A 3 -3.115 -5.780 -11.797 1.00 31.23 C ATOM 79 CD GLN A 3 -4.502 -5.179 -11.681 1.00 1.13 C ATOM 80 OE1 GLN A 3 -5.134 -5.367 -10.529 1.00 52.13 O flip ATOM 81 NE2 GLN A 3 -4.992 -4.536 -12.609 1.00 15.44 N flip ATOM 0 H GLN A 3 -3.137 -4.311 -8.729 1.00 54.51 H new ATOM 0 HA GLN A 3 -1.250 -6.325 -9.810 1.00 12.04 H new ATOM 0 HB2 GLN A 3 -2.417 -3.859 -11.159 1.00 73.14 H new ATOM 0 HB3 GLN A 3 -1.172 -4.883 -11.846 1.00 73.14 H new ATOM 0 HG2 GLN A 3 -2.885 -5.958 -12.848 1.00 31.23 H new ATOM 0 HG3 GLN A 3 -3.098 -6.749 -11.298 1.00 31.23 H new ATOM 0 HE21 GLN A 3 -4.471 -4.416 -13.478 1.00 15.44 H new ATOM 0 HE22 GLN A 3 -5.919 -4.123 -12.509 1.00 15.44 H new ATOM 90 N VAL A 4 0.687 -5.004 -9.014 1.00 15.11 N ATOM 91 CA VAL A 4 1.861 -4.267 -8.548 1.00 21.25 C ATOM 92 C VAL A 4 2.952 -4.221 -9.631 1.00 0.04 C ATOM 93 O VAL A 4 3.199 -5.215 -10.320 1.00 62.43 O ATOM 94 CB VAL A 4 2.394 -4.857 -7.198 1.00 41.33 C ATOM 95 CG1 VAL A 4 2.935 -6.276 -7.352 1.00 50.31 C ATOM 96 CG2 VAL A 4 3.443 -3.950 -6.564 1.00 13.43 C ATOM 0 H VAL A 4 0.829 -6.011 -9.092 1.00 15.11 H new ATOM 0 HA VAL A 4 1.562 -3.237 -8.353 1.00 21.25 H new ATOM 0 HB VAL A 4 1.535 -4.908 -6.529 1.00 41.33 H new ATOM 0 HG11 VAL A 4 3.291 -6.636 -6.387 1.00 50.31 H new ATOM 0 HG12 VAL A 4 2.142 -6.931 -7.714 1.00 50.31 H new ATOM 0 HG13 VAL A 4 3.759 -6.276 -8.066 1.00 50.31 H new ATOM 0 HG21 VAL A 4 3.789 -4.392 -5.630 1.00 13.43 H new ATOM 0 HG22 VAL A 4 4.286 -3.836 -7.246 1.00 13.43 H new ATOM 0 HG23 VAL A 4 3.005 -2.972 -6.363 1.00 13.43 H new ATOM 106 N GLU A 5 3.586 -3.052 -9.758 1.00 43.11 N ATOM 107 CA GLU A 5 4.649 -2.834 -10.748 1.00 1.02 C ATOM 108 C GLU A 5 5.908 -2.313 -10.068 1.00 74.44 C ATOM 109 O GLU A 5 5.867 -1.293 -9.376 1.00 42.12 O ATOM 110 CB GLU A 5 4.213 -1.832 -11.840 1.00 22.54 C ATOM 111 CG GLU A 5 2.706 -1.694 -12.024 1.00 62.44 C ATOM 112 CD GLU A 5 2.340 -0.767 -13.166 1.00 45.30 C ATOM 113 OE1 GLU A 5 2.176 0.446 -12.916 1.00 72.23 O ATOM 114 OE2 GLU A 5 2.217 -1.253 -14.310 1.00 20.43 O ATOM 0 H GLU A 5 3.380 -2.235 -9.183 1.00 43.11 H new ATOM 0 HA GLU A 5 4.853 -3.795 -11.220 1.00 1.02 H new ATOM 0 HB2 GLU A 5 4.625 -0.852 -11.598 1.00 22.54 H new ATOM 0 HB3 GLU A 5 4.653 -2.138 -12.789 1.00 22.54 H new ATOM 0 HG2 GLU A 5 2.275 -2.678 -12.207 1.00 62.44 H new ATOM 0 HG3 GLU A 5 2.264 -1.319 -11.101 1.00 62.44 H new ATOM 121 N THR A 6 7.030 -3.012 -10.287 1.00 42.11 N ATOM 122 CA THR A 6 8.320 -2.631 -9.699 1.00 74.15 C ATOM 123 C THR A 6 8.948 -1.469 -10.473 1.00 12.12 C ATOM 124 O THR A 6 9.089 -1.526 -11.698 1.00 51.21 O ATOM 125 CB THR A 6 9.299 -3.835 -9.662 1.00 0.24 C ATOM 126 OG1 THR A 6 8.617 -5.004 -9.190 1.00 2.23 O ATOM 127 CG2 THR A 6 10.508 -3.567 -8.761 1.00 50.35 C ATOM 0 H THR A 6 7.069 -3.848 -10.870 1.00 42.11 H new ATOM 0 HA THR A 6 8.132 -2.310 -8.674 1.00 74.15 H new ATOM 0 HB THR A 6 9.660 -3.989 -10.679 1.00 0.24 H new ATOM 0 HG1 THR A 6 9.240 -5.761 -9.171 1.00 2.23 H new ATOM 0 HG21 THR A 6 11.165 -4.437 -8.766 1.00 50.35 H new ATOM 0 HG22 THR A 6 11.052 -2.698 -9.131 1.00 50.35 H new ATOM 0 HG23 THR A 6 10.168 -3.375 -7.743 1.00 50.35 H new ATOM 135 N ILE A 7 9.317 -0.428 -9.729 1.00 11.44 N ATOM 136 CA ILE A 7 9.924 0.773 -10.306 1.00 72.43 C ATOM 137 C ILE A 7 11.396 0.875 -9.899 1.00 45.55 C ATOM 138 O ILE A 7 12.244 1.260 -10.709 1.00 31.04 O ATOM 139 CB ILE A 7 9.169 2.071 -9.885 1.00 21.20 C ATOM 140 CG1 ILE A 7 7.657 1.792 -9.759 1.00 42.50 C ATOM 141 CG2 ILE A 7 9.430 3.191 -10.900 1.00 0.24 C ATOM 142 CD1 ILE A 7 6.883 2.805 -8.930 1.00 14.43 C ATOM 0 H ILE A 7 9.205 -0.391 -8.716 1.00 11.44 H new ATOM 0 HA ILE A 7 9.851 0.681 -11.390 1.00 72.43 H new ATOM 0 HB ILE A 7 9.542 2.395 -8.913 1.00 21.20 H new ATOM 0 HG12 ILE A 7 7.225 1.757 -10.759 1.00 42.50 H new ATOM 0 HG13 ILE A 7 7.521 0.804 -9.318 1.00 42.50 H new ATOM 0 HG21 ILE A 7 8.897 4.091 -10.594 1.00 0.24 H new ATOM 0 HG22 ILE A 7 10.499 3.400 -10.945 1.00 0.24 H new ATOM 0 HG23 ILE A 7 9.080 2.879 -11.884 1.00 0.24 H new ATOM 0 HD11 ILE A 7 5.831 2.523 -8.900 1.00 14.43 H new ATOM 0 HD12 ILE A 7 7.282 2.826 -7.916 1.00 14.43 H new ATOM 0 HD13 ILE A 7 6.981 3.793 -9.379 1.00 14.43 H new ATOM 154 N SER A 8 11.683 0.526 -8.639 1.00 5.12 N ATOM 155 CA SER A 8 13.042 0.568 -8.110 1.00 32.42 C ATOM 156 C SER A 8 13.370 -0.735 -7.373 1.00 21.20 C ATOM 157 O SER A 8 12.704 -1.070 -6.388 1.00 31.34 O ATOM 158 CB SER A 8 13.214 1.762 -7.169 1.00 74.32 C ATOM 159 OG SER A 8 14.582 2.000 -6.883 1.00 64.33 O ATOM 0 H SER A 8 10.984 0.210 -7.967 1.00 5.12 H new ATOM 0 HA SER A 8 13.732 0.680 -8.946 1.00 32.42 H new ATOM 0 HB2 SER A 8 12.775 2.651 -7.622 1.00 74.32 H new ATOM 0 HB3 SER A 8 12.673 1.577 -6.241 1.00 74.32 H new ATOM 0 HG SER A 8 14.661 2.769 -6.281 1.00 64.33 H new ATOM 165 N PRO A 9 14.402 -1.500 -7.839 1.00 51.01 N ATOM 166 CA PRO A 9 14.798 -2.773 -7.205 1.00 23.32 C ATOM 167 C PRO A 9 15.488 -2.586 -5.845 1.00 51.21 C ATOM 168 O PRO A 9 16.429 -1.795 -5.720 1.00 32.12 O ATOM 169 CB PRO A 9 15.760 -3.389 -8.228 1.00 21.35 C ATOM 170 CG PRO A 9 16.328 -2.231 -8.973 1.00 44.13 C ATOM 171 CD PRO A 9 15.244 -1.197 -9.027 1.00 61.42 C ATOM 0 HA PRO A 9 13.933 -3.396 -6.979 1.00 23.32 H new ATOM 0 HB2 PRO A 9 16.544 -3.964 -7.735 1.00 21.35 H new ATOM 0 HB3 PRO A 9 15.238 -4.072 -8.899 1.00 21.35 H new ATOM 0 HG2 PRO A 9 17.213 -1.841 -8.471 1.00 44.13 H new ATOM 0 HG3 PRO A 9 16.635 -2.526 -9.976 1.00 44.13 H new ATOM 0 HD2 PRO A 9 15.652 -0.187 -8.981 1.00 61.42 H new ATOM 0 HD3 PRO A 9 14.671 -1.267 -9.951 1.00 61.42 H new ATOM 179 N GLY A 10 15.000 -3.321 -4.840 1.00 11.52 N ATOM 180 CA GLY A 10 15.560 -3.244 -3.498 1.00 4.35 C ATOM 181 C GLY A 10 16.539 -4.370 -3.222 1.00 44.33 C ATOM 182 O GLY A 10 17.538 -4.509 -3.934 1.00 23.33 O ATOM 0 H GLY A 10 14.221 -3.972 -4.936 1.00 11.52 H new ATOM 0 HA2 GLY A 10 16.065 -2.286 -3.371 1.00 4.35 H new ATOM 0 HA3 GLY A 10 14.753 -3.279 -2.766 1.00 4.35 H new ATOM 186 N ASP A 11 16.254 -5.175 -2.187 1.00 12.02 N ATOM 187 CA ASP A 11 17.109 -6.310 -1.822 1.00 21.40 C ATOM 188 C ASP A 11 16.772 -7.544 -2.667 1.00 61.45 C ATOM 189 O ASP A 11 17.672 -8.212 -3.186 1.00 53.40 O ATOM 190 CB ASP A 11 16.967 -6.631 -0.331 1.00 15.33 C ATOM 191 CG ASP A 11 17.690 -5.631 0.551 1.00 54.04 C ATOM 192 OD1 ASP A 11 18.939 -5.631 0.548 1.00 2.54 O ATOM 193 OD2 ASP A 11 17.008 -4.850 1.247 1.00 3.25 O ATOM 0 H ASP A 11 15.436 -5.059 -1.589 1.00 12.02 H new ATOM 0 HA ASP A 11 18.144 -6.032 -2.022 1.00 21.40 H new ATOM 0 HB2 ASP A 11 15.910 -6.647 -0.065 1.00 15.33 H new ATOM 0 HB3 ASP A 11 17.359 -7.630 -0.139 1.00 15.33 H new ATOM 198 N GLY A 12 15.467 -7.834 -2.794 1.00 11.03 N ATOM 199 CA GLY A 12 15.004 -8.974 -3.585 1.00 21.20 C ATOM 200 C GLY A 12 14.990 -10.288 -2.815 1.00 63.51 C ATOM 201 O GLY A 12 14.587 -11.320 -3.358 1.00 45.41 O ATOM 0 H GLY A 12 14.720 -7.293 -2.358 1.00 11.03 H new ATOM 0 HA2 GLY A 12 13.998 -8.767 -3.951 1.00 21.20 H new ATOM 0 HA3 GLY A 12 15.645 -9.082 -4.460 1.00 21.20 H new ATOM 205 N ARG A 13 15.430 -10.244 -1.552 1.00 44.41 N ATOM 206 CA ARG A 13 15.482 -11.435 -0.693 1.00 43.15 C ATOM 207 C ARG A 13 14.965 -11.138 0.725 1.00 71.41 C ATOM 208 O ARG A 13 14.953 -12.027 1.585 1.00 75.24 O ATOM 209 CB ARG A 13 16.920 -12.009 -0.644 1.00 13.14 C ATOM 210 CG ARG A 13 18.012 -10.992 -0.307 1.00 22.33 C ATOM 211 CD ARG A 13 19.401 -11.588 -0.476 1.00 60.10 C ATOM 212 NE ARG A 13 20.457 -10.618 -0.166 1.00 42.52 N ATOM 213 CZ ARG A 13 21.767 -10.827 -0.365 1.00 33.40 C ATOM 214 NH1 ARG A 13 22.213 -11.973 -0.877 1.00 20.42 N ATOM 215 NH2 ARG A 13 22.636 -9.877 -0.047 1.00 61.14 N ATOM 0 H ARG A 13 15.757 -9.391 -1.099 1.00 44.41 H new ATOM 0 HA ARG A 13 14.823 -12.185 -1.130 1.00 43.15 H new ATOM 0 HB2 ARG A 13 16.950 -12.810 0.095 1.00 13.14 H new ATOM 0 HB3 ARG A 13 17.149 -12.458 -1.610 1.00 13.14 H new ATOM 0 HG2 ARG A 13 17.909 -10.119 -0.951 1.00 22.33 H new ATOM 0 HG3 ARG A 13 17.885 -10.647 0.719 1.00 22.33 H new ATOM 0 HD2 ARG A 13 19.504 -12.457 0.174 1.00 60.10 H new ATOM 0 HD3 ARG A 13 19.522 -11.941 -1.500 1.00 60.10 H new ATOM 0 HE ARG A 13 20.175 -9.721 0.229 1.00 42.52 H new ATOM 0 HH11 ARG A 13 21.554 -12.711 -1.125 1.00 20.42 H new ATOM 0 HH12 ARG A 13 23.213 -12.112 -1.021 1.00 20.42 H new ATOM 0 HH21 ARG A 13 22.307 -8.995 0.346 1.00 61.14 H new ATOM 0 HH22 ARG A 13 23.634 -10.028 -0.195 1.00 61.14 H new ATOM 229 N THR A 14 14.529 -9.893 0.953 1.00 42.14 N ATOM 230 CA THR A 14 14.023 -9.477 2.254 1.00 3.41 C ATOM 231 C THR A 14 12.589 -8.950 2.121 1.00 32.20 C ATOM 232 O THR A 14 12.367 -7.767 1.841 1.00 15.22 O ATOM 233 CB THR A 14 14.942 -8.402 2.890 1.00 43.13 C ATOM 234 OG1 THR A 14 16.318 -8.715 2.632 1.00 71.40 O ATOM 235 CG2 THR A 14 14.731 -8.304 4.397 1.00 52.24 C ATOM 0 H THR A 14 14.519 -9.158 0.246 1.00 42.14 H new ATOM 0 HA THR A 14 14.017 -10.345 2.913 1.00 3.41 H new ATOM 0 HB THR A 14 14.684 -7.444 2.439 1.00 43.13 H new ATOM 0 HG1 THR A 14 16.891 -8.030 3.036 1.00 71.40 H new ATOM 0 HG21 THR A 14 15.392 -7.541 4.808 1.00 52.24 H new ATOM 0 HG22 THR A 14 13.695 -8.036 4.603 1.00 52.24 H new ATOM 0 HG23 THR A 14 14.956 -9.265 4.859 1.00 52.24 H new ATOM 243 N PHE A 15 11.626 -9.853 2.306 1.00 33.20 N ATOM 244 CA PHE A 15 10.208 -9.510 2.214 1.00 11.33 C ATOM 245 C PHE A 15 9.583 -9.391 3.608 1.00 41.44 C ATOM 246 O PHE A 15 10.022 -10.074 4.538 1.00 72.11 O ATOM 247 CB PHE A 15 9.453 -10.564 1.397 1.00 23.11 C ATOM 248 CG PHE A 15 9.892 -10.655 -0.040 1.00 12.42 C ATOM 249 CD1 PHE A 15 9.165 -10.029 -1.038 1.00 65.13 C ATOM 250 CD2 PHE A 15 11.031 -11.365 -0.389 1.00 33.25 C ATOM 251 CE1 PHE A 15 9.566 -10.107 -2.358 1.00 21.24 C ATOM 252 CE2 PHE A 15 11.436 -11.447 -1.705 1.00 12.41 C ATOM 253 CZ PHE A 15 10.703 -10.817 -2.692 1.00 50.43 C ATOM 0 H PHE A 15 11.805 -10.834 2.522 1.00 33.20 H new ATOM 0 HA PHE A 15 10.129 -8.546 1.712 1.00 11.33 H new ATOM 0 HB2 PHE A 15 9.585 -11.538 1.869 1.00 23.11 H new ATOM 0 HB3 PHE A 15 8.387 -10.337 1.427 1.00 23.11 H new ATOM 0 HD1 PHE A 15 8.275 -9.474 -0.782 1.00 65.13 H new ATOM 0 HD2 PHE A 15 11.608 -11.860 0.379 1.00 33.25 H new ATOM 0 HE1 PHE A 15 8.991 -9.613 -3.128 1.00 21.24 H new ATOM 0 HE2 PHE A 15 12.325 -12.003 -1.963 1.00 12.41 H new ATOM 0 HZ PHE A 15 11.018 -10.879 -3.723 1.00 50.43 H new ATOM 263 N PRO A 16 8.542 -8.519 3.779 1.00 13.34 N ATOM 264 CA PRO A 16 7.869 -8.333 5.079 1.00 31.25 C ATOM 265 C PRO A 16 7.106 -9.580 5.540 1.00 31.31 C ATOM 266 O PRO A 16 6.279 -10.127 4.802 1.00 15.10 O ATOM 267 CB PRO A 16 6.904 -7.161 4.844 1.00 64.23 C ATOM 268 CG PRO A 16 6.749 -7.033 3.364 1.00 2.14 C ATOM 269 CD PRO A 16 7.971 -7.641 2.730 1.00 35.24 C ATOM 0 HA PRO A 16 8.593 -8.142 5.871 1.00 31.25 H new ATOM 0 HB2 PRO A 16 5.942 -7.349 5.321 1.00 64.23 H new ATOM 0 HB3 PRO A 16 7.299 -6.241 5.274 1.00 64.23 H new ATOM 0 HG2 PRO A 16 5.847 -7.544 3.027 1.00 2.14 H new ATOM 0 HG3 PRO A 16 6.648 -5.986 3.078 1.00 2.14 H new ATOM 0 HD2 PRO A 16 7.712 -8.209 1.836 1.00 35.24 H new ATOM 0 HD3 PRO A 16 8.683 -6.873 2.426 1.00 35.24 H new HETATM 277 N MLY A 17 7.406 -10.017 6.769 1.00 65.54 N HETATM 278 CA MLY A 17 6.781 -11.204 7.364 1.00 1.40 C HETATM 279 CB MLY A 17 7.753 -11.883 8.340 1.00 3.13 C HETATM 280 CG MLY A 17 9.067 -12.319 7.702 1.00 4.51 C HETATM 281 CD MLY A 17 9.929 -13.115 8.671 1.00 62.24 C HETATM 282 CE MLY A 17 11.118 -12.300 9.162 1.00 72.30 C HETATM 283 NZ MLY A 17 11.729 -12.958 10.329 1.00 51.13 N HETATM 284 CH1 MLY A 17 11.673 -12.055 11.490 1.00 21.43 C HETATM 285 CH2 MLY A 17 13.133 -13.283 10.033 1.00 4.23 C HETATM 286 C MLY A 17 5.479 -10.850 8.084 1.00 62.13 C HETATM 287 O MLY A 17 5.272 -9.703 8.490 1.00 41.31 O HETATM 0 HH23 MLY A 17 13.178 -13.953 9.175 1.00 4.23 H new HETATM 0 HH22 MLY A 17 13.679 -12.367 9.807 1.00 4.23 H new HETATM 0 HH21 MLY A 17 13.584 -13.770 10.898 1.00 4.23 H new HETATM 0 HH13 MLY A 17 12.218 -11.138 11.265 1.00 21.43 H new HETATM 0 HH12 MLY A 17 10.634 -11.814 11.713 1.00 21.43 H new HETATM 0 HH11 MLY A 17 12.126 -12.543 12.353 1.00 21.43 H new HETATM 0 HG3 MLY A 17 8.859 -12.924 6.819 1.00 4.51 H new HETATM 0 HG2 MLY A 17 9.616 -11.440 7.364 1.00 4.51 H new HETATM 0 HE3 MLY A 17 11.854 -12.198 8.365 1.00 72.30 H new HETATM 0 HE2 MLY A 17 10.795 -11.294 9.429 1.00 72.30 H new HETATM 0 HD3 MLY A 17 9.325 -13.429 9.523 1.00 62.24 H new HETATM 0 HD2 MLY A 17 10.285 -14.021 8.182 1.00 62.24 H new HETATM 0 HB3 MLY A 17 7.968 -11.197 9.159 1.00 3.13 H new HETATM 0 HB2 MLY A 17 7.265 -12.755 8.775 1.00 3.13 H new HETATM 0 HA MLY A 17 6.542 -11.894 6.555 1.00 1.40 H new HETATM 0 H MLY A 17 8.358 -9.757 7.029 1.00 65.54 H new ATOM 304 N ARG A 18 4.612 -11.860 8.234 1.00 75.42 N ATOM 305 CA ARG A 18 3.312 -11.708 8.889 1.00 34.53 C ATOM 306 C ARG A 18 3.457 -11.668 10.421 1.00 50.25 C ATOM 307 O ARG A 18 3.968 -12.615 11.029 1.00 2.04 O ATOM 308 CB ARG A 18 2.407 -12.870 8.452 1.00 61.11 C ATOM 309 CG ARG A 18 0.914 -12.639 8.664 1.00 12.50 C ATOM 310 CD ARG A 18 0.104 -13.853 8.236 1.00 23.10 C ATOM 311 NE ARG A 18 -1.339 -13.592 8.256 1.00 72.31 N ATOM 312 CZ ARG A 18 -2.280 -14.518 8.494 1.00 24.01 C ATOM 313 NH1 ARG A 18 -1.954 -15.786 8.738 1.00 2.12 N ATOM 314 NH2 ARG A 18 -3.559 -14.167 8.486 1.00 35.44 N ATOM 0 H ARG A 18 4.796 -12.807 7.903 1.00 75.42 H new ATOM 0 HA ARG A 18 2.865 -10.760 8.590 1.00 34.53 H new ATOM 0 HB2 ARG A 18 2.582 -13.069 7.395 1.00 61.11 H new ATOM 0 HB3 ARG A 18 2.702 -13.766 8.998 1.00 61.11 H new ATOM 0 HG2 ARG A 18 0.722 -12.423 9.715 1.00 12.50 H new ATOM 0 HG3 ARG A 18 0.594 -11.766 8.095 1.00 12.50 H new ATOM 0 HD2 ARG A 18 0.403 -14.152 7.231 1.00 23.10 H new ATOM 0 HD3 ARG A 18 0.329 -14.689 8.898 1.00 23.10 H new ATOM 0 HE ARG A 18 -1.650 -12.637 8.076 1.00 72.31 H new ATOM 0 HH11 ARG A 18 -0.974 -16.068 8.746 1.00 2.12 H new ATOM 0 HH12 ARG A 18 -2.685 -16.475 8.917 1.00 2.12 H new ATOM 0 HH21 ARG A 18 -3.821 -13.199 8.300 1.00 35.44 H new ATOM 0 HH22 ARG A 18 -4.281 -14.865 8.666 1.00 35.44 H new ATOM 328 N GLY A 19 3.008 -10.559 11.024 1.00 24.02 N ATOM 329 CA GLY A 19 3.082 -10.398 12.473 1.00 64.12 C ATOM 330 C GLY A 19 3.930 -9.213 12.909 1.00 64.12 C ATOM 331 O GLY A 19 3.720 -8.670 13.997 1.00 0.22 O ATOM 0 H GLY A 19 2.593 -9.768 10.531 1.00 24.02 H new ATOM 0 HA2 GLY A 19 2.074 -10.279 12.869 1.00 64.12 H new ATOM 0 HA3 GLY A 19 3.491 -11.308 12.911 1.00 64.12 H new ATOM 335 N GLN A 20 4.885 -8.814 12.061 1.00 1.30 N ATOM 336 CA GLN A 20 5.779 -7.689 12.359 1.00 31.02 C ATOM 337 C GLN A 20 5.325 -6.421 11.632 1.00 45.43 C ATOM 338 O GLN A 20 4.576 -6.495 10.652 1.00 32.11 O ATOM 339 CB GLN A 20 7.243 -8.030 11.998 1.00 72.14 C ATOM 340 CG GLN A 20 7.421 -8.821 10.701 1.00 0.44 C ATOM 341 CD GLN A 20 8.583 -8.322 9.872 1.00 23.22 C ATOM 342 OE1 GLN A 20 8.307 -7.373 8.988 1.00 53.30 O flip ATOM 343 NE2 GLN A 20 9.715 -8.782 10.022 1.00 33.54 N flip ATOM 0 H GLN A 20 5.059 -9.256 11.158 1.00 1.30 H new ATOM 0 HA GLN A 20 5.731 -7.502 13.432 1.00 31.02 H new ATOM 0 HB2 GLN A 20 7.808 -7.101 11.920 1.00 72.14 H new ATOM 0 HB3 GLN A 20 7.680 -8.601 12.817 1.00 72.14 H new ATOM 0 HG2 GLN A 20 7.575 -9.873 10.940 1.00 0.44 H new ATOM 0 HG3 GLN A 20 6.506 -8.758 10.112 1.00 0.44 H new ATOM 0 HE21 GLN A 20 9.881 -9.512 10.715 1.00 33.54 H new ATOM 0 HE22 GLN A 20 10.487 -8.433 9.453 1.00 33.54 H new ATOM 352 N THR A 21 5.789 -5.259 12.120 1.00 41.53 N ATOM 353 CA THR A 21 5.432 -3.964 11.532 1.00 5.30 C ATOM 354 C THR A 21 6.301 -3.654 10.312 1.00 73.13 C ATOM 355 O THR A 21 7.483 -4.008 10.275 1.00 42.40 O ATOM 356 CB THR A 21 5.560 -2.806 12.552 1.00 62.42 C ATOM 357 OG1 THR A 21 5.453 -3.302 13.893 1.00 0.54 O ATOM 358 CG2 THR A 21 4.482 -1.752 12.321 1.00 71.14 C ATOM 0 H THR A 21 6.414 -5.193 12.923 1.00 41.53 H new ATOM 0 HA THR A 21 4.389 -4.043 11.226 1.00 5.30 H new ATOM 0 HB THR A 21 6.540 -2.349 12.410 1.00 62.42 H new ATOM 0 HG1 THR A 21 4.632 -3.830 13.982 1.00 0.54 H new ATOM 0 HG21 THR A 21 4.595 -0.950 13.051 1.00 71.14 H new ATOM 0 HG22 THR A 21 4.582 -1.344 11.315 1.00 71.14 H new ATOM 0 HG23 THR A 21 3.498 -2.208 12.432 1.00 71.14 H new ATOM 366 N CYS A 22 5.694 -2.992 9.326 1.00 42.51 N ATOM 367 CA CYS A 22 6.379 -2.626 8.094 1.00 32.11 C ATOM 368 C CYS A 22 6.294 -1.123 7.859 1.00 1.42 C ATOM 369 O CYS A 22 5.201 -0.564 7.714 1.00 21.41 O ATOM 370 CB CYS A 22 5.777 -3.385 6.909 1.00 52.32 C ATOM 371 SG CYS A 22 5.637 -5.168 7.173 1.00 70.12 S ATOM 0 H CYS A 22 4.718 -2.697 9.362 1.00 42.51 H new ATOM 0 HA CYS A 22 7.430 -2.899 8.188 1.00 32.11 H new ATOM 0 HB2 CYS A 22 4.787 -2.981 6.697 1.00 52.32 H new ATOM 0 HB3 CYS A 22 6.391 -3.206 6.026 1.00 52.32 H new ATOM 0 HG CYS A 22 4.585 -5.419 7.894 1.00 70.12 H new ATOM 377 N VAL A 23 7.462 -0.479 7.839 1.00 22.12 N ATOM 378 CA VAL A 23 7.561 0.968 7.618 1.00 41.54 C ATOM 379 C VAL A 23 7.688 1.256 6.122 1.00 42.33 C ATOM 380 O VAL A 23 8.706 0.931 5.501 1.00 53.12 O ATOM 381 CB VAL A 23 8.770 1.597 8.374 1.00 23.33 C ATOM 382 CG1 VAL A 23 8.696 3.123 8.372 1.00 63.04 C ATOM 383 CG2 VAL A 23 8.878 1.055 9.797 1.00 4.23 C ATOM 0 H VAL A 23 8.362 -0.940 7.974 1.00 22.12 H new ATOM 0 HA VAL A 23 6.651 1.421 8.012 1.00 41.54 H new ATOM 0 HB VAL A 23 9.675 1.309 7.839 1.00 23.33 H new ATOM 0 HG11 VAL A 23 9.554 3.530 8.907 1.00 63.04 H new ATOM 0 HG12 VAL A 23 8.704 3.486 7.344 1.00 63.04 H new ATOM 0 HG13 VAL A 23 7.777 3.443 8.863 1.00 63.04 H new ATOM 0 HG21 VAL A 23 9.731 1.513 10.297 1.00 4.23 H new ATOM 0 HG22 VAL A 23 7.966 1.290 10.346 1.00 4.23 H new ATOM 0 HG23 VAL A 23 9.014 -0.026 9.765 1.00 4.23 H new ATOM 393 N VAL A 24 6.640 1.856 5.554 1.00 14.00 N ATOM 394 CA VAL A 24 6.616 2.186 4.125 1.00 22.54 C ATOM 395 C VAL A 24 5.858 3.487 3.866 1.00 24.45 C ATOM 396 O VAL A 24 4.948 3.847 4.619 1.00 4.04 O ATOM 397 CB VAL A 24 6.001 1.044 3.243 1.00 30.52 C ATOM 398 CG1 VAL A 24 6.864 -0.208 3.271 1.00 13.53 C ATOM 399 CG2 VAL A 24 4.582 0.680 3.662 1.00 42.42 C ATOM 0 H VAL A 24 5.796 2.124 6.061 1.00 14.00 H new ATOM 0 HA VAL A 24 7.660 2.308 3.835 1.00 22.54 H new ATOM 0 HB VAL A 24 5.968 1.440 2.228 1.00 30.52 H new ATOM 0 HG11 VAL A 24 6.408 -0.978 2.649 1.00 13.53 H new ATOM 0 HG12 VAL A 24 7.857 0.026 2.888 1.00 13.53 H new ATOM 0 HG13 VAL A 24 6.946 -0.570 4.296 1.00 13.53 H new ATOM 0 HG21 VAL A 24 4.205 -0.115 3.019 1.00 42.42 H new ATOM 0 HG22 VAL A 24 4.585 0.338 4.697 1.00 42.42 H new ATOM 0 HG23 VAL A 24 3.940 1.556 3.571 1.00 42.42 H new ATOM 409 N HIS A 25 6.249 4.176 2.795 1.00 54.10 N ATOM 410 CA HIS A 25 5.612 5.425 2.394 1.00 74.10 C ATOM 411 C HIS A 25 4.678 5.165 1.214 1.00 33.22 C ATOM 412 O HIS A 25 5.104 4.619 0.191 1.00 41.11 O ATOM 413 CB HIS A 25 6.682 6.454 2.023 1.00 2.24 C ATOM 414 CG HIS A 25 7.011 7.412 3.125 1.00 65.32 C ATOM 415 ND1 HIS A 25 6.129 8.347 3.611 1.00 75.02 N ATOM 416 CD2 HIS A 25 8.157 7.573 3.840 1.00 75.31 C ATOM 417 CE1 HIS A 25 6.749 9.030 4.581 1.00 31.32 C ATOM 418 NE2 HIS A 25 7.981 8.600 4.758 1.00 4.31 N ATOM 0 H HIS A 25 7.013 3.884 2.185 1.00 54.10 H new ATOM 0 HA HIS A 25 5.025 5.822 3.222 1.00 74.10 H new ATOM 0 HB2 HIS A 25 7.590 5.929 1.728 1.00 2.24 H new ATOM 0 HB3 HIS A 25 6.344 7.018 1.154 1.00 2.24 H new ATOM 0 HD2 HIS A 25 9.060 6.994 3.714 1.00 75.31 H new ATOM 0 HE1 HIS A 25 6.297 9.831 5.146 1.00 31.32 H new ATOM 0 HE2 HIS A 25 8.664 8.949 5.430 1.00 4.31 H new ATOM 426 N TYR A 26 3.408 5.558 1.362 1.00 62.35 N ATOM 427 CA TYR A 26 2.406 5.342 0.316 1.00 21.44 C ATOM 428 C TYR A 26 1.870 6.658 -0.262 1.00 74.34 C ATOM 429 O TYR A 26 2.078 7.734 0.307 1.00 64.11 O ATOM 430 CB TYR A 26 1.253 4.470 0.862 1.00 4.12 C ATOM 431 CG TYR A 26 0.338 5.162 1.859 1.00 41.22 C ATOM 432 CD1 TYR A 26 0.620 5.161 3.218 1.00 24.15 C ATOM 433 CD2 TYR A 26 -0.809 5.816 1.426 1.00 5.22 C ATOM 434 CE1 TYR A 26 -0.220 5.795 4.118 1.00 73.10 C ATOM 435 CE2 TYR A 26 -1.649 6.451 2.316 1.00 12.01 C ATOM 436 CZ TYR A 26 -1.351 6.438 3.661 1.00 12.10 C ATOM 437 OH TYR A 26 -2.187 7.069 4.553 1.00 1.22 O ATOM 0 H TYR A 26 3.052 6.026 2.195 1.00 62.35 H new ATOM 0 HA TYR A 26 2.895 4.818 -0.505 1.00 21.44 H new ATOM 0 HB2 TYR A 26 0.652 4.122 0.022 1.00 4.12 H new ATOM 0 HB3 TYR A 26 1.680 3.586 1.337 1.00 4.12 H new ATOM 0 HD1 TYR A 26 1.506 4.659 3.578 1.00 24.15 H new ATOM 0 HD2 TYR A 26 -1.047 5.827 0.373 1.00 5.22 H new ATOM 0 HE1 TYR A 26 0.010 5.786 5.173 1.00 73.10 H new ATOM 0 HE2 TYR A 26 -2.535 6.956 1.961 1.00 12.01 H new ATOM 0 HH TYR A 26 -2.585 7.857 4.127 1.00 1.22 H new ATOM 447 N THR A 27 1.178 6.538 -1.403 1.00 54.44 N ATOM 448 CA THR A 27 0.567 7.672 -2.092 1.00 13.54 C ATOM 449 C THR A 27 -0.709 7.205 -2.802 1.00 42.43 C ATOM 450 O THR A 27 -0.642 6.513 -3.826 1.00 34.01 O ATOM 451 CB THR A 27 1.539 8.316 -3.121 1.00 41.24 C ATOM 452 OG1 THR A 27 2.882 8.293 -2.617 1.00 5.33 O ATOM 453 CG2 THR A 27 1.150 9.759 -3.426 1.00 10.41 C ATOM 0 H THR A 27 1.028 5.645 -1.873 1.00 54.44 H new ATOM 0 HA THR A 27 0.327 8.431 -1.348 1.00 13.54 H new ATOM 0 HB THR A 27 1.476 7.733 -4.040 1.00 41.24 H new ATOM 0 HG1 THR A 27 3.485 8.700 -3.274 1.00 5.33 H new ATOM 0 HG21 THR A 27 1.850 10.179 -4.148 1.00 10.41 H new ATOM 0 HG22 THR A 27 0.142 9.784 -3.840 1.00 10.41 H new ATOM 0 HG23 THR A 27 1.180 10.346 -2.508 1.00 10.41 H new ATOM 461 N GLY A 28 -1.867 7.576 -2.240 1.00 62.24 N ATOM 462 CA GLY A 28 -3.148 7.184 -2.821 1.00 22.33 C ATOM 463 C GLY A 28 -3.679 8.193 -3.826 1.00 23.41 C ATOM 464 O GLY A 28 -3.863 9.369 -3.500 1.00 74.50 O ATOM 0 H GLY A 28 -1.939 8.141 -1.393 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -3.038 6.216 -3.310 1.00 22.33 H new ATOM 0 HA3 GLY A 28 -3.879 7.056 -2.022 1.00 22.33 H new ATOM 468 N MET A 29 -3.920 7.712 -5.051 1.00 72.23 N ATOM 469 CA MET A 29 -4.424 8.538 -6.153 1.00 35.31 C ATOM 470 C MET A 29 -5.511 7.803 -6.919 1.00 35.15 C ATOM 471 O MET A 29 -5.344 6.637 -7.285 1.00 40.34 O ATOM 472 CB MET A 29 -3.278 8.911 -7.102 1.00 63.22 C ATOM 473 CG MET A 29 -2.318 9.950 -6.542 1.00 23.45 C ATOM 474 SD MET A 29 -0.707 9.933 -7.364 1.00 60.11 S ATOM 475 CE MET A 29 0.035 8.441 -6.690 1.00 24.43 C ATOM 0 H MET A 29 -3.770 6.736 -5.306 1.00 72.23 H new ATOM 0 HA MET A 29 -4.849 9.449 -5.732 1.00 35.31 H new ATOM 0 HB2 MET A 29 -2.717 8.009 -7.348 1.00 63.22 H new ATOM 0 HB3 MET A 29 -3.701 9.288 -8.033 1.00 63.22 H new ATOM 0 HG2 MET A 29 -2.762 10.940 -6.644 1.00 23.45 H new ATOM 0 HG3 MET A 29 -2.178 9.771 -5.476 1.00 23.45 H new ATOM 0 HE1 MET A 29 1.120 8.501 -6.781 1.00 24.43 H new ATOM 0 HE2 MET A 29 -0.236 8.343 -5.639 1.00 24.43 H new ATOM 0 HE3 MET A 29 -0.328 7.573 -7.241 1.00 24.43 H new ATOM 485 N LEU A 30 -6.633 8.503 -7.150 1.00 40.05 N ATOM 486 CA LEU A 30 -7.785 7.956 -7.887 1.00 32.04 C ATOM 487 C LEU A 30 -7.398 7.456 -9.289 1.00 0.41 C ATOM 488 O LEU A 30 -6.279 7.695 -9.754 1.00 4.33 O ATOM 489 CB LEU A 30 -8.876 9.033 -8.008 1.00 20.24 C ATOM 490 CG LEU A 30 -9.836 9.144 -6.818 1.00 42.34 C ATOM 491 CD1 LEU A 30 -10.502 10.510 -6.797 1.00 34.14 C ATOM 492 CD2 LEU A 30 -10.889 8.045 -6.868 1.00 0.13 C ATOM 0 H LEU A 30 -6.768 9.463 -6.832 1.00 40.05 H new ATOM 0 HA LEU A 30 -8.157 7.099 -7.325 1.00 32.04 H new ATOM 0 HB2 LEU A 30 -8.392 9.999 -8.152 1.00 20.24 H new ATOM 0 HB3 LEU A 30 -9.461 8.832 -8.906 1.00 20.24 H new ATOM 0 HG LEU A 30 -9.257 9.023 -5.903 1.00 42.34 H new ATOM 0 HD11 LEU A 30 -11.180 10.571 -5.946 1.00 34.14 H new ATOM 0 HD12 LEU A 30 -9.740 11.285 -6.711 1.00 34.14 H new ATOM 0 HD13 LEU A 30 -11.064 10.655 -7.720 1.00 34.14 H new ATOM 0 HD21 LEU A 30 -11.559 8.144 -6.014 1.00 0.13 H new ATOM 0 HD22 LEU A 30 -11.462 8.132 -7.791 1.00 0.13 H new ATOM 0 HD23 LEU A 30 -10.400 7.071 -6.835 1.00 0.13 H new ATOM 504 N GLU A 31 -8.343 6.760 -9.954 1.00 10.33 N ATOM 505 CA GLU A 31 -8.141 6.220 -11.307 1.00 40.43 C ATOM 506 C GLU A 31 -7.718 7.306 -12.306 1.00 13.34 C ATOM 507 O GLU A 31 -7.029 7.021 -13.291 1.00 3.22 O ATOM 508 CB GLU A 31 -9.431 5.556 -11.788 1.00 23.24 C ATOM 509 CG GLU A 31 -9.194 4.287 -12.580 1.00 62.31 C ATOM 510 CD GLU A 31 -10.478 3.668 -13.097 1.00 4.43 C ATOM 511 OE1 GLU A 31 -10.880 3.997 -14.232 1.00 71.15 O ATOM 512 OE2 GLU A 31 -11.081 2.855 -12.366 1.00 72.00 O ATOM 0 H GLU A 31 -9.265 6.559 -9.566 1.00 10.33 H new ATOM 0 HA GLU A 31 -7.335 5.488 -11.255 1.00 40.43 H new ATOM 0 HB2 GLU A 31 -10.056 5.326 -10.925 1.00 23.24 H new ATOM 0 HB3 GLU A 31 -9.987 6.262 -12.405 1.00 23.24 H new ATOM 0 HG2 GLU A 31 -8.538 4.507 -13.422 1.00 62.31 H new ATOM 0 HG3 GLU A 31 -8.675 3.564 -11.951 1.00 62.31 H new ATOM 519 N ASP A 32 -8.141 8.543 -12.031 1.00 34.23 N ATOM 520 CA ASP A 32 -7.816 9.693 -12.868 1.00 2.24 C ATOM 521 C ASP A 32 -6.500 10.355 -12.438 1.00 23.33 C ATOM 522 O ASP A 32 -5.917 11.123 -13.210 1.00 53.30 O ATOM 523 CB ASP A 32 -8.952 10.715 -12.814 1.00 52.51 C ATOM 524 CG ASP A 32 -10.172 10.274 -13.601 1.00 32.21 C ATOM 525 OD1 ASP A 32 -11.051 9.611 -13.011 1.00 41.21 O ATOM 526 OD2 ASP A 32 -10.248 10.593 -14.806 1.00 44.13 O ATOM 0 H ASP A 32 -8.718 8.772 -11.221 1.00 34.23 H new ATOM 0 HA ASP A 32 -7.692 9.335 -13.890 1.00 2.24 H new ATOM 0 HB2 ASP A 32 -9.236 10.883 -11.775 1.00 52.51 H new ATOM 0 HB3 ASP A 32 -8.597 11.668 -13.205 1.00 52.51 H new ATOM 531 N GLY A 33 -6.036 10.058 -11.209 1.00 51.42 N ATOM 532 CA GLY A 33 -4.788 10.633 -10.724 1.00 4.22 C ATOM 533 C GLY A 33 -4.999 11.715 -9.683 1.00 24.43 C ATOM 534 O GLY A 33 -4.068 12.460 -9.365 1.00 35.01 O ATOM 0 H GLY A 33 -6.504 9.434 -10.552 1.00 51.42 H new ATOM 0 HA2 GLY A 33 -4.171 9.842 -10.298 1.00 4.22 H new ATOM 0 HA3 GLY A 33 -4.235 11.049 -11.566 1.00 4.22 H new HETATM 538 N MLY A 34 -6.227 11.801 -9.153 1.00 33.34 N HETATM 539 CA MLY A 34 -6.568 12.785 -8.129 1.00 10.41 C HETATM 540 CB MLY A 34 -8.046 13.181 -8.229 1.00 31.10 C HETATM 541 CG MLY A 34 -8.340 14.163 -9.353 1.00 32.53 C HETATM 542 CD MLY A 34 -8.467 15.586 -8.832 1.00 45.44 C HETATM 543 CE MLY A 34 -8.695 16.577 -9.965 1.00 24.42 C HETATM 544 NZ MLY A 34 -9.300 17.812 -9.435 1.00 25.53 N HETATM 545 CH1 MLY A 34 -10.605 18.037 -10.077 1.00 63.25 C HETATM 546 CH2 MLY A 34 -8.416 18.954 -9.715 1.00 35.50 C HETATM 547 C MLY A 34 -6.255 12.217 -6.748 1.00 13.44 C HETATM 548 O MLY A 34 -6.905 11.269 -6.291 1.00 42.22 O HETATM 0 HH23 MLY A 34 -7.449 18.791 -9.239 1.00 35.50 H new HETATM 0 HH22 MLY A 34 -8.278 19.052 -10.792 1.00 35.50 H new HETATM 0 HH21 MLY A 34 -8.865 19.866 -9.322 1.00 35.50 H new HETATM 0 HH13 MLY A 34 -10.469 18.134 -11.154 1.00 63.25 H new HETATM 0 HH12 MLY A 34 -11.263 17.193 -9.869 1.00 63.25 H new HETATM 0 HH11 MLY A 34 -11.051 18.951 -9.684 1.00 63.25 H new HETATM 0 HG3 MLY A 34 -7.544 14.116 -10.096 1.00 32.53 H new HETATM 0 HG2 MLY A 34 -9.263 13.875 -9.857 1.00 32.53 H new HETATM 0 HE3 MLY A 34 -7.749 16.806 -10.456 1.00 24.42 H new HETATM 0 HE2 MLY A 34 -9.347 16.137 -10.720 1.00 24.42 H new HETATM 0 HD3 MLY A 34 -9.295 15.643 -8.125 1.00 45.44 H new HETATM 0 HD2 MLY A 34 -7.563 15.857 -8.287 1.00 45.44 H new HETATM 0 HB3 MLY A 34 -8.645 12.282 -8.377 1.00 31.10 H new HETATM 0 HB2 MLY A 34 -8.360 13.621 -7.282 1.00 31.10 H new HETATM 0 HA MLY A 34 -5.970 13.682 -8.287 1.00 10.41 H new HETATM 0 H MLY A 34 -6.940 11.477 -9.806 1.00 33.34 H new HETATM 565 N MLY A 35 -5.240 12.797 -6.094 1.00 11.11 N HETATM 566 CA MLY A 35 -4.802 12.350 -4.771 1.00 61.33 C HETATM 567 CB MLY A 35 -3.591 13.135 -4.307 1.00 75.25 C HETATM 568 CG MLY A 35 -2.494 12.243 -3.770 1.00 53.41 C HETATM 569 CD MLY A 35 -1.560 13.017 -2.857 1.00 45.12 C HETATM 570 CE MLY A 35 -0.371 13.588 -3.632 1.00 62.43 C HETATM 571 NZ MLY A 35 0.626 14.322 -2.773 1.00 22.02 N HETATM 572 CH1 MLY A 35 1.786 13.449 -2.501 1.00 0.41 C HETATM 573 CH2 MLY A 35 0.027 14.796 -1.502 1.00 55.25 C HETATM 574 C MLY A 35 -5.886 12.464 -3.722 1.00 41.14 C HETATM 575 O MLY A 35 -6.749 13.344 -3.785 1.00 10.14 O HETATM 0 HH23 MLY A 35 -0.798 15.475 -1.719 1.00 55.25 H new HETATM 0 HH22 MLY A 35 -0.345 13.943 -0.935 1.00 55.25 H new HETATM 0 HH21 MLY A 35 0.783 15.319 -0.916 1.00 55.25 H new HETATM 0 HH13 MLY A 35 1.452 12.552 -1.980 1.00 0.41 H new HETATM 0 HH12 MLY A 35 2.258 13.168 -3.442 1.00 0.41 H new HETATM 0 HH11 MLY A 35 2.505 13.983 -1.880 1.00 0.41 H new HETATM 0 HG3 MLY A 35 -2.934 11.409 -3.223 1.00 53.41 H new HETATM 0 HG2 MLY A 35 -1.928 11.818 -4.599 1.00 53.41 H new HETATM 0 HE3 MLY A 35 0.139 12.774 -4.147 1.00 62.43 H new HETATM 0 HE2 MLY A 35 -0.743 14.267 -4.399 1.00 62.43 H new HETATM 0 HD3 MLY A 35 -2.107 13.828 -2.377 1.00 45.12 H new HETATM 0 HD2 MLY A 35 -1.199 12.363 -2.063 1.00 45.12 H new HETATM 0 HB3 MLY A 35 -3.203 13.723 -5.139 1.00 75.25 H new HETATM 0 HB2 MLY A 35 -3.894 13.840 -3.533 1.00 75.25 H new HETATM 0 HA MLY A 35 -4.548 11.296 -4.883 1.00 61.33 H new HETATM 0 H MLY A 35 -4.738 13.546 -6.571 1.00 11.11 H new ATOM 592 N PHE A 36 -5.815 11.551 -2.760 1.00 13.53 N ATOM 593 CA PHE A 36 -6.764 11.508 -1.668 1.00 33.32 C ATOM 594 C PHE A 36 -6.070 11.283 -0.322 1.00 4.15 C ATOM 595 O PHE A 36 -6.703 11.480 0.721 1.00 61.44 O ATOM 596 CB PHE A 36 -7.846 10.435 -1.920 1.00 44.41 C ATOM 597 CG PHE A 36 -7.341 9.048 -2.252 1.00 74.11 C ATOM 598 CD1 PHE A 36 -7.356 8.591 -3.560 1.00 13.01 C ATOM 599 CD2 PHE A 36 -6.880 8.200 -1.256 1.00 2.42 C ATOM 600 CE1 PHE A 36 -6.922 7.317 -3.871 1.00 1.12 C ATOM 601 CE2 PHE A 36 -6.440 6.925 -1.561 1.00 50.31 C ATOM 602 CZ PHE A 36 -6.463 6.482 -2.871 1.00 32.03 C ATOM 0 H PHE A 36 -5.099 10.825 -2.720 1.00 13.53 H new ATOM 0 HA PHE A 36 -7.253 12.481 -1.622 1.00 33.32 H new ATOM 0 HB2 PHE A 36 -8.476 10.368 -1.033 1.00 44.41 H new ATOM 0 HB3 PHE A 36 -8.482 10.774 -2.738 1.00 44.41 H new ATOM 0 HD1 PHE A 36 -7.712 9.240 -4.347 1.00 13.01 H new ATOM 0 HD2 PHE A 36 -6.864 8.539 -0.231 1.00 2.42 H new ATOM 0 HE1 PHE A 36 -6.942 6.974 -4.895 1.00 1.12 H new ATOM 0 HE2 PHE A 36 -6.079 6.276 -0.777 1.00 50.31 H new ATOM 0 HZ PHE A 36 -6.123 5.486 -3.111 1.00 32.03 H new ATOM 612 N ASP A 37 -4.762 10.894 -0.333 1.00 71.54 N ATOM 613 CA ASP A 37 -4.023 10.635 0.930 1.00 12.22 C ATOM 614 C ASP A 37 -2.606 10.105 0.698 1.00 5.44 C ATOM 615 O ASP A 37 -2.417 8.982 0.213 1.00 15.20 O ATOM 616 CB ASP A 37 -4.768 9.624 1.829 1.00 35.30 C ATOM 617 CG ASP A 37 -4.669 9.972 3.303 1.00 41.23 C ATOM 618 OD1 ASP A 37 -5.531 10.731 3.793 1.00 70.34 O ATOM 619 OD2 ASP A 37 -3.729 9.485 3.966 1.00 70.24 O ATOM 0 H ASP A 37 -4.213 10.757 -1.182 1.00 71.54 H new ATOM 0 HA ASP A 37 -3.960 11.605 1.422 1.00 12.22 H new ATOM 0 HB2 ASP A 37 -5.818 9.588 1.537 1.00 35.30 H new ATOM 0 HB3 ASP A 37 -4.358 8.627 1.666 1.00 35.30 H new ATOM 624 N SER A 38 -1.620 10.938 1.031 1.00 35.14 N ATOM 625 CA SER A 38 -0.208 10.554 0.942 1.00 72.05 C ATOM 626 C SER A 38 0.491 10.705 2.288 1.00 61.33 C ATOM 627 O SER A 38 0.347 11.727 2.965 1.00 53.42 O ATOM 628 CB SER A 38 0.517 11.378 -0.103 1.00 1.53 C ATOM 629 OG SER A 38 1.810 10.861 -0.365 1.00 1.21 O ATOM 0 H SER A 38 -1.773 11.889 1.367 1.00 35.14 H new ATOM 0 HA SER A 38 -0.178 9.505 0.647 1.00 72.05 H new ATOM 0 HB2 SER A 38 -0.064 11.392 -1.025 1.00 1.53 H new ATOM 0 HB3 SER A 38 0.599 12.410 0.238 1.00 1.53 H new ATOM 0 HG SER A 38 1.828 9.904 -0.156 1.00 1.21 H new ATOM 635 N SER A 39 1.247 9.670 2.658 1.00 34.10 N ATOM 636 CA SER A 39 2.003 9.641 3.923 1.00 3.40 C ATOM 637 C SER A 39 3.317 10.436 3.841 1.00 71.04 C ATOM 638 O SER A 39 3.747 11.042 4.827 1.00 14.42 O ATOM 639 CB SER A 39 2.299 8.195 4.326 1.00 71.12 C ATOM 640 OG SER A 39 2.963 7.499 3.287 1.00 65.25 O ATOM 0 H SER A 39 1.356 8.827 2.094 1.00 34.10 H new ATOM 0 HA SER A 39 1.379 10.118 4.679 1.00 3.40 H new ATOM 0 HB2 SER A 39 2.914 8.184 5.226 1.00 71.12 H new ATOM 0 HB3 SER A 39 1.367 7.685 4.571 1.00 71.12 H new ATOM 0 HG SER A 39 3.921 7.703 3.317 1.00 65.25 H new ATOM 646 N ARG A 40 3.938 10.424 2.651 1.00 52.53 N ATOM 647 CA ARG A 40 5.224 11.108 2.397 1.00 1.22 C ATOM 648 C ARG A 40 5.096 12.638 2.364 1.00 23.13 C ATOM 649 O ARG A 40 5.974 13.341 2.872 1.00 22.12 O ATOM 650 CB ARG A 40 5.852 10.599 1.086 1.00 50.10 C ATOM 651 CG ARG A 40 4.883 10.561 -0.093 1.00 40.44 C ATOM 652 CD ARG A 40 5.016 11.793 -0.979 1.00 34.30 C ATOM 653 NE ARG A 40 6.239 11.765 -1.793 1.00 13.41 N ATOM 654 CZ ARG A 40 6.559 12.678 -2.722 1.00 54.32 C ATOM 655 NH1 ARG A 40 5.759 13.711 -2.978 1.00 24.54 N ATOM 656 NH2 ARG A 40 7.692 12.553 -3.399 1.00 51.01 N ATOM 0 H ARG A 40 3.565 9.940 1.834 1.00 52.53 H new ATOM 0 HA ARG A 40 5.877 10.865 3.236 1.00 1.22 H new ATOM 0 HB2 ARG A 40 6.697 11.237 0.828 1.00 50.10 H new ATOM 0 HB3 ARG A 40 6.248 9.597 1.250 1.00 50.10 H new ATOM 0 HG2 ARG A 40 5.068 9.666 -0.686 1.00 40.44 H new ATOM 0 HG3 ARG A 40 3.861 10.491 0.279 1.00 40.44 H new ATOM 0 HD2 ARG A 40 4.148 11.862 -1.634 1.00 34.30 H new ATOM 0 HD3 ARG A 40 5.017 12.687 -0.356 1.00 34.30 H new ATOM 0 HE ARG A 40 6.892 10.996 -1.641 1.00 13.41 H new ATOM 0 HH11 ARG A 40 4.885 13.819 -2.464 1.00 24.54 H new ATOM 0 HH12 ARG A 40 6.020 14.395 -3.688 1.00 24.54 H new ATOM 0 HH21 ARG A 40 8.314 11.766 -3.212 1.00 51.01 H new ATOM 0 HH22 ARG A 40 7.942 13.243 -4.107 1.00 51.01 H new ATOM 670 N ASP A 41 4.002 13.146 1.767 1.00 23.13 N ATOM 671 CA ASP A 41 3.764 14.600 1.682 1.00 52.45 C ATOM 672 C ASP A 41 3.517 15.196 3.073 1.00 31.20 C ATOM 673 O ASP A 41 3.693 16.399 3.286 1.00 42.45 O ATOM 674 CB ASP A 41 2.576 14.900 0.767 1.00 64.34 C ATOM 675 CG ASP A 41 2.804 16.121 -0.118 1.00 34.14 C ATOM 676 OD1 ASP A 41 3.090 17.208 0.431 1.00 51.32 O ATOM 677 OD2 ASP A 41 2.684 15.994 -1.362 1.00 2.32 O ATOM 0 H ASP A 41 3.273 12.576 1.339 1.00 23.13 H new ATOM 0 HA ASP A 41 4.657 15.061 1.260 1.00 52.45 H new ATOM 0 HB2 ASP A 41 2.380 14.032 0.137 1.00 64.34 H new ATOM 0 HB3 ASP A 41 1.686 15.059 1.376 1.00 64.34 H new ATOM 682 N ARG A 42 3.106 14.325 4.005 1.00 55.15 N ATOM 683 CA ARG A 42 2.859 14.703 5.399 1.00 51.54 C ATOM 684 C ARG A 42 4.144 14.548 6.221 1.00 4.45 C ATOM 685 O ARG A 42 4.185 14.892 7.407 1.00 25.12 O ATOM 686 CB ARG A 42 1.749 13.830 5.999 1.00 71.30 C ATOM 687 CG ARG A 42 0.367 14.092 5.411 1.00 51.14 C ATOM 688 CD ARG A 42 -0.411 15.112 6.230 1.00 2.40 C ATOM 689 NE ARG A 42 -1.736 15.379 5.661 1.00 12.24 N ATOM 690 CZ ARG A 42 -2.626 16.245 6.167 1.00 53.41 C ATOM 691 NH1 ARG A 42 -2.354 16.949 7.265 1.00 24.54 N ATOM 692 NH2 ARG A 42 -3.797 16.406 5.568 1.00 13.42 N ATOM 0 H ARG A 42 2.936 13.338 3.811 1.00 55.15 H new ATOM 0 HA ARG A 42 2.541 15.745 5.426 1.00 51.54 H new ATOM 0 HB2 ARG A 42 2.004 12.781 5.847 1.00 71.30 H new ATOM 0 HB3 ARG A 42 1.712 13.997 7.076 1.00 71.30 H new ATOM 0 HG2 ARG A 42 0.470 14.450 4.387 1.00 51.14 H new ATOM 0 HG3 ARG A 42 -0.193 13.158 5.367 1.00 51.14 H new ATOM 0 HD2 ARG A 42 -0.522 14.748 7.251 1.00 2.40 H new ATOM 0 HD3 ARG A 42 0.155 16.042 6.283 1.00 2.40 H new ATOM 0 HE ARG A 42 -2.000 14.868 4.818 1.00 12.24 H new ATOM 0 HH11 ARG A 42 -1.456 16.834 7.735 1.00 24.54 H new ATOM 0 HH12 ARG A 42 -3.044 17.603 7.635 1.00 24.54 H new ATOM 0 HH21 ARG A 42 -4.017 15.873 4.727 1.00 13.42 H new ATOM 0 HH22 ARG A 42 -4.478 17.063 5.948 1.00 13.42 H new ATOM 706 N ASN A 43 5.200 14.023 5.555 1.00 54.33 N ATOM 707 CA ASN A 43 6.532 13.784 6.154 1.00 4.33 C ATOM 708 C ASN A 43 6.487 12.702 7.249 1.00 11.11 C ATOM 709 O ASN A 43 7.226 12.773 8.241 1.00 34.31 O ATOM 710 CB ASN A 43 7.147 15.094 6.698 1.00 24.02 C ATOM 711 CG ASN A 43 7.510 16.071 5.594 1.00 72.44 C ATOM 712 OD1 ASN A 43 6.696 16.903 5.194 1.00 40.11 O ATOM 713 ND2 ASN A 43 8.737 15.972 5.096 1.00 53.22 N ATOM 0 H ASN A 43 5.148 13.750 4.573 1.00 54.33 H new ATOM 0 HA ASN A 43 7.176 13.413 5.357 1.00 4.33 H new ATOM 0 HB2 ASN A 43 6.440 15.568 7.379 1.00 24.02 H new ATOM 0 HB3 ASN A 43 8.039 14.859 7.278 1.00 24.02 H new ATOM 0 HD21 ASN A 43 9.037 16.601 4.351 1.00 53.22 H new ATOM 0 HD22 ASN A 43 9.379 15.267 5.458 1.00 53.22 H new HETATM 720 N MLY A 44 5.630 11.682 7.051 1.00 34.54 N HETATM 721 CA MLY A 44 5.497 10.589 8.028 1.00 24.12 C HETATM 722 CB MLY A 44 4.437 10.908 9.083 1.00 25.45 C HETATM 723 CG MLY A 44 4.952 11.787 10.209 1.00 5.24 C HETATM 724 CD MLY A 44 3.824 12.255 11.113 1.00 1.13 C HETATM 725 CE MLY A 44 4.356 12.957 12.354 1.00 34.53 C HETATM 726 NZ MLY A 44 3.233 13.424 13.186 1.00 51.05 N HETATM 727 CH1 MLY A 44 3.308 14.885 13.341 1.00 12.22 C HETATM 728 CH2 MLY A 44 3.304 12.789 14.512 1.00 50.43 C HETATM 729 C MLY A 44 5.164 9.257 7.349 1.00 2.04 C HETATM 730 O MLY A 44 4.159 9.156 6.638 1.00 74.11 O HETATM 0 HH23 MLY A 44 3.246 11.706 14.400 1.00 50.43 H new HETATM 0 HH22 MLY A 44 4.246 13.055 14.993 1.00 50.43 H new HETATM 0 HH21 MLY A 44 2.473 13.135 15.126 1.00 50.43 H new HETATM 0 HH13 MLY A 44 4.250 15.152 13.821 1.00 12.22 H new HETATM 0 HH12 MLY A 44 3.253 15.358 12.361 1.00 12.22 H new HETATM 0 HH11 MLY A 44 2.477 15.229 13.957 1.00 12.22 H new HETATM 0 HG3 MLY A 44 5.685 11.234 10.797 1.00 5.24 H new HETATM 0 HG2 MLY A 44 5.466 12.652 9.790 1.00 5.24 H new HETATM 0 HE3 MLY A 44 4.985 12.275 12.926 1.00 34.53 H new HETATM 0 HE2 MLY A 44 4.982 13.801 12.065 1.00 34.53 H new HETATM 0 HD3 MLY A 44 3.173 12.933 10.562 1.00 1.13 H new HETATM 0 HD2 MLY A 44 3.216 11.400 11.410 1.00 1.13 H new HETATM 0 HB3 MLY A 44 3.594 11.404 8.602 1.00 25.45 H new HETATM 0 HB2 MLY A 44 4.061 9.975 9.503 1.00 25.45 H new HETATM 0 HA MLY A 44 6.465 10.493 8.520 1.00 24.12 H new ATOM 747 N PRO A 45 6.016 8.208 7.558 1.00 62.03 N ATOM 748 CA PRO A 45 5.805 6.874 6.969 1.00 10.31 C ATOM 749 C PRO A 45 4.700 6.082 7.672 1.00 72.54 C ATOM 750 O PRO A 45 4.370 6.357 8.830 1.00 63.34 O ATOM 751 CB PRO A 45 7.161 6.185 7.142 1.00 65.23 C ATOM 752 CG PRO A 45 7.808 6.856 8.308 1.00 52.33 C ATOM 753 CD PRO A 45 7.253 8.257 8.375 1.00 64.14 C ATOM 0 HA PRO A 45 5.477 6.940 5.932 1.00 10.31 H new ATOM 0 HB2 PRO A 45 7.038 5.117 7.323 1.00 65.23 H new ATOM 0 HB3 PRO A 45 7.770 6.287 6.244 1.00 65.23 H new ATOM 0 HG2 PRO A 45 7.598 6.314 9.230 1.00 52.33 H new ATOM 0 HG3 PRO A 45 8.891 6.876 8.189 1.00 52.33 H new ATOM 0 HD2 PRO A 45 7.038 8.550 9.403 1.00 64.14 H new ATOM 0 HD3 PRO A 45 7.962 8.984 7.978 1.00 64.14 H new ATOM 761 N PHE A 46 4.141 5.104 6.958 1.00 52.43 N ATOM 762 CA PHE A 46 3.062 4.275 7.490 1.00 12.42 C ATOM 763 C PHE A 46 3.560 2.897 7.931 1.00 54.51 C ATOM 764 O PHE A 46 4.071 2.113 7.123 1.00 73.33 O ATOM 765 CB PHE A 46 1.955 4.134 6.442 1.00 50.23 C ATOM 766 CG PHE A 46 0.603 3.806 7.022 1.00 55.12 C ATOM 767 CD1 PHE A 46 0.163 2.494 7.070 1.00 52.33 C ATOM 768 CD2 PHE A 46 -0.220 4.803 7.526 1.00 4.32 C ATOM 769 CE1 PHE A 46 -1.069 2.179 7.607 1.00 34.13 C ATOM 770 CE2 PHE A 46 -1.455 4.494 8.064 1.00 4.13 C ATOM 771 CZ PHE A 46 -1.879 3.180 8.105 1.00 10.44 C ATOM 0 H PHE A 46 4.420 4.867 6.006 1.00 52.43 H new ATOM 0 HA PHE A 46 2.665 4.770 8.376 1.00 12.42 H new ATOM 0 HB2 PHE A 46 1.882 5.064 5.878 1.00 50.23 H new ATOM 0 HB3 PHE A 46 2.235 3.353 5.735 1.00 50.23 H new ATOM 0 HD1 PHE A 46 0.792 1.707 6.682 1.00 52.33 H new ATOM 0 HD2 PHE A 46 0.108 5.832 7.498 1.00 4.32 H new ATOM 0 HE1 PHE A 46 -1.399 1.151 7.638 1.00 34.13 H new ATOM 0 HE2 PHE A 46 -2.088 5.279 8.452 1.00 4.13 H new ATOM 0 HZ PHE A 46 -2.843 2.936 8.526 1.00 10.44 H new HETATM 781 N MLY A 47 3.407 2.630 9.230 1.00 21.12 N HETATM 782 CA MLY A 47 3.799 1.352 9.832 1.00 63.34 C HETATM 783 CB MLY A 47 4.621 1.600 11.104 1.00 43.31 C HETATM 784 CG MLY A 47 5.568 2.781 10.977 1.00 32.35 C HETATM 785 CD MLY A 47 6.523 2.894 12.140 1.00 72.20 C HETATM 786 CE MLY A 47 7.734 3.706 11.729 1.00 42.23 C HETATM 787 NZ MLY A 47 8.640 3.891 12.875 1.00 35.31 N HETATM 788 CH1 MLY A 47 8.647 5.308 13.276 1.00 43.20 C HETATM 789 CH2 MLY A 47 10.002 3.486 12.499 1.00 74.45 C HETATM 790 C MLY A 47 2.557 0.530 10.162 1.00 63.22 C HETATM 791 O MLY A 47 1.602 1.052 10.745 1.00 51.34 O HETATM 0 HH23 MLY A 47 10.001 2.437 12.205 1.00 74.45 H new HETATM 0 HH22 MLY A 47 10.346 4.097 11.664 1.00 74.45 H new HETATM 0 HH21 MLY A 47 10.670 3.624 13.349 1.00 74.45 H new HETATM 0 HH13 MLY A 47 8.989 5.921 12.442 1.00 43.20 H new HETATM 0 HH12 MLY A 47 7.639 5.611 13.559 1.00 43.20 H new HETATM 0 HH11 MLY A 47 9.318 5.443 14.124 1.00 43.20 H new HETATM 0 HG3 MLY A 47 6.138 2.686 10.053 1.00 32.35 H new HETATM 0 HG2 MLY A 47 4.987 3.700 10.900 1.00 32.35 H new HETATM 0 HE3 MLY A 47 8.260 3.201 10.919 1.00 42.23 H new HETATM 0 HE2 MLY A 47 7.417 4.677 11.347 1.00 42.23 H new HETATM 0 HD3 MLY A 47 6.026 3.368 12.987 1.00 72.20 H new HETATM 0 HD2 MLY A 47 6.833 1.901 12.467 1.00 72.20 H new HETATM 0 HB3 MLY A 47 3.943 1.773 11.940 1.00 43.31 H new HETATM 0 HB2 MLY A 47 5.196 0.704 11.339 1.00 43.31 H new HETATM 0 HA MLY A 47 4.411 0.798 9.121 1.00 63.34 H new HETATM 0 H MLY A 47 3.688 3.507 9.668 1.00 21.12 H new ATOM 808 N PHE A 48 2.575 -0.759 9.787 1.00 63.04 N ATOM 809 CA PHE A 48 1.437 -1.663 10.029 1.00 23.12 C ATOM 810 C PHE A 48 1.896 -3.124 10.170 1.00 45.43 C ATOM 811 O PHE A 48 3.020 -3.466 9.792 1.00 53.22 O ATOM 812 CB PHE A 48 0.402 -1.534 8.883 1.00 60.34 C ATOM 813 CG PHE A 48 0.895 -2.006 7.534 1.00 23.12 C ATOM 814 CD1 PHE A 48 1.687 -1.193 6.737 1.00 65.44 C ATOM 815 CD2 PHE A 48 0.565 -3.270 7.075 1.00 64.54 C ATOM 816 CE1 PHE A 48 2.139 -1.635 5.507 1.00 53.32 C ATOM 817 CE2 PHE A 48 1.013 -3.716 5.849 1.00 73.33 C ATOM 818 CZ PHE A 48 1.801 -2.898 5.063 1.00 3.21 C ATOM 0 H PHE A 48 3.365 -1.199 9.315 1.00 63.04 H new ATOM 0 HA PHE A 48 0.970 -1.370 10.969 1.00 23.12 H new ATOM 0 HB2 PHE A 48 -0.488 -2.103 9.149 1.00 60.34 H new ATOM 0 HB3 PHE A 48 0.100 -0.490 8.800 1.00 60.34 H new ATOM 0 HD1 PHE A 48 1.954 -0.204 7.080 1.00 65.44 H new ATOM 0 HD2 PHE A 48 -0.051 -3.915 7.684 1.00 64.54 H new ATOM 0 HE1 PHE A 48 2.755 -0.993 4.895 1.00 53.32 H new ATOM 0 HE2 PHE A 48 0.748 -4.704 5.504 1.00 73.33 H new ATOM 0 HZ PHE A 48 2.152 -3.246 4.103 1.00 3.21 H new ATOM 828 N MET A 49 1.010 -3.973 10.710 1.00 33.23 N ATOM 829 CA MET A 49 1.299 -5.397 10.883 1.00 71.14 C ATOM 830 C MET A 49 0.511 -6.230 9.879 1.00 22.43 C ATOM 831 O MET A 49 -0.683 -5.997 9.669 1.00 41.24 O ATOM 832 CB MET A 49 0.961 -5.859 12.302 1.00 22.35 C ATOM 833 CG MET A 49 2.135 -5.796 13.268 1.00 60.11 C ATOM 834 SD MET A 49 2.607 -4.107 13.695 1.00 51.55 S ATOM 835 CE MET A 49 1.376 -3.695 14.931 1.00 63.41 C ATOM 0 H MET A 49 0.084 -3.693 11.035 1.00 33.23 H new ATOM 0 HA MET A 49 2.366 -5.539 10.711 1.00 71.14 H new ATOM 0 HB2 MET A 49 0.150 -5.243 12.691 1.00 22.35 H new ATOM 0 HB3 MET A 49 0.591 -6.884 12.261 1.00 22.35 H new ATOM 0 HG2 MET A 49 1.878 -6.337 14.179 1.00 60.11 H new ATOM 0 HG3 MET A 49 2.991 -6.306 12.825 1.00 60.11 H new ATOM 0 HE1 MET A 49 1.543 -2.678 15.286 1.00 63.41 H new ATOM 0 HE2 MET A 49 0.381 -3.767 14.492 1.00 63.41 H new ATOM 0 HE3 MET A 49 1.454 -4.389 15.768 1.00 63.41 H new ATOM 845 N LEU A 50 1.194 -7.203 9.265 1.00 22.40 N ATOM 846 CA LEU A 50 0.584 -8.103 8.281 1.00 23.24 C ATOM 847 C LEU A 50 -0.200 -9.221 8.954 1.00 71.40 C ATOM 848 O LEU A 50 0.221 -9.754 9.985 1.00 63.44 O ATOM 849 CB LEU A 50 1.670 -8.721 7.382 1.00 74.22 C ATOM 850 CG LEU A 50 1.930 -8.058 6.014 1.00 62.03 C ATOM 851 CD1 LEU A 50 0.656 -7.908 5.201 1.00 23.44 C ATOM 852 CD2 LEU A 50 2.643 -6.722 6.176 1.00 72.11 C ATOM 0 H LEU A 50 2.182 -7.388 9.436 1.00 22.40 H new ATOM 0 HA LEU A 50 -0.105 -7.510 7.680 1.00 23.24 H new ATOM 0 HB2 LEU A 50 2.607 -8.720 7.939 1.00 74.22 H new ATOM 0 HB3 LEU A 50 1.406 -9.763 7.205 1.00 74.22 H new ATOM 0 HG LEU A 50 2.588 -8.724 5.455 1.00 62.03 H new ATOM 0 HD11 LEU A 50 0.887 -7.437 4.246 1.00 23.44 H new ATOM 0 HD12 LEU A 50 0.219 -8.891 5.024 1.00 23.44 H new ATOM 0 HD13 LEU A 50 -0.054 -7.289 5.749 1.00 23.44 H new ATOM 0 HD21 LEU A 50 2.813 -6.279 5.195 1.00 72.11 H new ATOM 0 HD22 LEU A 50 2.027 -6.051 6.776 1.00 72.11 H new ATOM 0 HD23 LEU A 50 3.600 -6.878 6.674 1.00 72.11 H new ATOM 864 N GLY A 51 -1.344 -9.565 8.353 1.00 35.24 N ATOM 865 CA GLY A 51 -2.198 -10.620 8.884 1.00 71.31 C ATOM 866 C GLY A 51 -3.125 -10.144 9.996 1.00 50.01 C ATOM 867 O GLY A 51 -4.020 -10.882 10.417 1.00 31.34 O ATOM 0 H GLY A 51 -1.695 -9.127 7.501 1.00 35.24 H new ATOM 0 HA2 GLY A 51 -2.797 -11.035 8.074 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -1.572 -11.428 9.263 1.00 71.31 H new HETATM 871 N MLY A 52 -2.904 -8.905 10.468 1.00 22.42 N HETATM 872 CA MLY A 52 -3.724 -8.306 11.529 1.00 50.33 C HETATM 873 CB MLY A 52 -2.931 -7.235 12.299 1.00 33.52 C HETATM 874 CG MLY A 52 -1.836 -7.784 13.213 1.00 64.24 C HETATM 875 CD MLY A 52 -2.409 -8.552 14.398 1.00 72.22 C HETATM 876 CE MLY A 52 -1.408 -8.647 15.543 1.00 30.34 C HETATM 877 NZ MLY A 52 -1.566 -7.493 16.444 1.00 33.24 N HETATM 878 CH1 MLY A 52 -0.305 -6.737 16.504 1.00 11.24 C HETATM 879 CH2 MLY A 52 -1.917 -7.964 17.793 1.00 42.22 C HETATM 880 C MLY A 52 -4.987 -7.680 10.946 1.00 12.24 C HETATM 881 O MLY A 52 -5.943 -7.391 11.671 1.00 14.32 O HETATM 0 HH23 MLY A 52 -2.853 -8.522 17.752 1.00 42.22 H new HETATM 0 HH22 MLY A 52 -1.125 -8.611 18.170 1.00 42.22 H new HETATM 0 HH21 MLY A 52 -2.033 -7.108 18.458 1.00 42.22 H new HETATM 0 HH13 MLY A 52 0.489 -7.383 16.879 1.00 11.24 H new HETATM 0 HH12 MLY A 52 -0.045 -6.384 15.506 1.00 11.24 H new HETATM 0 HH11 MLY A 52 -0.424 -5.883 17.171 1.00 11.24 H new HETATM 0 HG3 MLY A 52 -1.181 -8.440 12.639 1.00 64.24 H new HETATM 0 HG2 MLY A 52 -1.223 -6.960 13.578 1.00 64.24 H new HETATM 0 HE3 MLY A 52 -1.561 -9.574 16.095 1.00 30.34 H new HETATM 0 HE2 MLY A 52 -0.392 -8.675 15.148 1.00 30.34 H new HETATM 0 HD3 MLY A 52 -3.316 -8.059 14.747 1.00 72.22 H new HETATM 0 HD2 MLY A 52 -2.694 -9.555 14.079 1.00 72.22 H new HETATM 0 HB3 MLY A 52 -2.477 -6.552 11.581 1.00 33.52 H new HETATM 0 HB2 MLY A 52 -3.627 -6.649 12.900 1.00 33.52 H new HETATM 0 HA MLY A 52 -4.004 -9.103 12.218 1.00 50.33 H new HETATM 0 H MLY A 52 -1.943 -8.593 10.328 1.00 22.42 H new ATOM 898 N GLN A 53 -4.962 -7.469 9.616 1.00 64.22 N ATOM 899 CA GLN A 53 -6.087 -6.885 8.845 1.00 1.55 C ATOM 900 C GLN A 53 -6.314 -5.401 9.188 1.00 54.20 C ATOM 901 O GLN A 53 -7.431 -4.881 9.065 1.00 41.22 O ATOM 902 CB GLN A 53 -7.391 -7.698 9.031 1.00 51.25 C ATOM 903 CG GLN A 53 -7.304 -9.129 8.516 1.00 51.21 C ATOM 904 CD GLN A 53 -8.661 -9.796 8.415 1.00 32.32 C ATOM 905 OE1 GLN A 53 -9.326 -9.724 7.381 1.00 62.40 O ATOM 906 NE2 GLN A 53 -9.080 -10.451 9.491 1.00 1.32 N ATOM 0 H GLN A 53 -4.155 -7.700 9.037 1.00 64.22 H new ATOM 0 HA GLN A 53 -5.805 -6.940 7.794 1.00 1.55 H new ATOM 0 HB2 GLN A 53 -7.647 -7.718 10.090 1.00 51.25 H new ATOM 0 HB3 GLN A 53 -8.204 -7.186 8.516 1.00 51.25 H new ATOM 0 HG2 GLN A 53 -6.829 -9.130 7.535 1.00 51.21 H new ATOM 0 HG3 GLN A 53 -6.665 -9.712 9.180 1.00 51.21 H new ATOM 0 HE21 GLN A 53 -8.496 -10.485 10.327 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -9.986 -10.920 9.482 1.00 1.32 H new ATOM 915 N GLU A 54 -5.230 -4.719 9.594 1.00 41.31 N ATOM 916 CA GLU A 54 -5.276 -3.288 9.940 1.00 72.24 C ATOM 917 C GLU A 54 -5.362 -2.431 8.673 1.00 75.25 C ATOM 918 O GLU A 54 -5.992 -1.369 8.668 1.00 34.30 O ATOM 919 CB GLU A 54 -4.033 -2.885 10.750 1.00 53.34 C ATOM 920 CG GLU A 54 -3.944 -3.524 12.134 1.00 11.31 C ATOM 921 CD GLU A 54 -4.856 -2.864 13.155 1.00 20.35 C ATOM 922 OE1 GLU A 54 -6.021 -3.297 13.277 1.00 44.02 O ATOM 923 OE2 GLU A 54 -4.404 -1.916 13.830 1.00 15.22 O ATOM 0 H GLU A 54 -4.306 -5.139 9.691 1.00 41.31 H new ATOM 0 HA GLU A 54 -6.165 -3.118 10.547 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -3.142 -3.153 10.182 1.00 53.34 H new ATOM 0 HB3 GLU A 54 -4.024 -1.801 10.863 1.00 53.34 H new ATOM 0 HG2 GLU A 54 -4.200 -4.581 12.057 1.00 11.31 H new ATOM 0 HG3 GLU A 54 -2.914 -3.470 12.487 1.00 11.31 H new ATOM 930 N VAL A 55 -4.717 -2.919 7.610 1.00 22.22 N ATOM 931 CA VAL A 55 -4.705 -2.249 6.307 1.00 23.14 C ATOM 932 C VAL A 55 -5.652 -2.974 5.332 1.00 5.11 C ATOM 933 O VAL A 55 -6.339 -3.923 5.726 1.00 74.45 O ATOM 934 CB VAL A 55 -3.259 -2.154 5.715 1.00 71.05 C ATOM 935 CG1 VAL A 55 -2.429 -1.144 6.498 1.00 61.41 C ATOM 936 CG2 VAL A 55 -2.549 -3.510 5.685 1.00 43.13 C ATOM 0 H VAL A 55 -4.188 -3.791 7.629 1.00 22.22 H new ATOM 0 HA VAL A 55 -5.059 -1.228 6.450 1.00 23.14 H new ATOM 0 HB VAL A 55 -3.359 -1.818 4.683 1.00 71.05 H new ATOM 0 HG11 VAL A 55 -1.426 -1.090 6.074 1.00 61.41 H new ATOM 0 HG12 VAL A 55 -2.901 -0.163 6.441 1.00 61.41 H new ATOM 0 HG13 VAL A 55 -2.365 -1.456 7.541 1.00 61.41 H new ATOM 0 HG21 VAL A 55 -1.550 -3.389 5.266 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -2.472 -3.903 6.699 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -3.119 -4.206 5.069 1.00 43.13 H new ATOM 946 N ILE A 56 -5.688 -2.526 4.068 1.00 52.14 N ATOM 947 CA ILE A 56 -6.552 -3.140 3.046 1.00 1.25 C ATOM 948 C ILE A 56 -5.942 -4.430 2.486 1.00 22.44 C ATOM 949 O ILE A 56 -4.730 -4.647 2.586 1.00 40.42 O ATOM 950 CB ILE A 56 -6.891 -2.162 1.883 1.00 14.41 C ATOM 951 CG1 ILE A 56 -5.665 -1.315 1.459 1.00 4.24 C ATOM 952 CG2 ILE A 56 -8.057 -1.271 2.302 1.00 53.42 C ATOM 953 CD1 ILE A 56 -5.811 -0.621 0.115 1.00 34.03 C ATOM 0 H ILE A 56 -5.130 -1.742 3.729 1.00 52.14 H new ATOM 0 HA ILE A 56 -7.484 -3.387 3.554 1.00 1.25 H new ATOM 0 HB ILE A 56 -7.177 -2.748 1.010 1.00 14.41 H new ATOM 0 HG12 ILE A 56 -5.478 -0.561 2.224 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.787 -1.961 1.427 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -8.299 -0.584 1.491 1.00 53.42 H new ATOM 0 HG22 ILE A 56 -8.926 -1.890 2.525 1.00 53.42 H new ATOM 0 HG23 ILE A 56 -7.780 -0.702 3.189 1.00 53.42 H new ATOM 0 HD11 ILE A 56 -4.907 -0.052 -0.101 1.00 34.03 H new ATOM 0 HD12 ILE A 56 -5.965 -1.367 -0.665 1.00 34.03 H new ATOM 0 HD13 ILE A 56 -6.666 0.054 0.145 1.00 34.03 H new ATOM 965 N ARG A 57 -6.800 -5.280 1.895 1.00 73.41 N ATOM 966 CA ARG A 57 -6.382 -6.570 1.317 1.00 3.13 C ATOM 967 C ARG A 57 -5.333 -6.388 0.214 1.00 73.31 C ATOM 968 O ARG A 57 -4.356 -7.140 0.148 1.00 3.15 O ATOM 969 CB ARG A 57 -7.602 -7.312 0.764 1.00 41.00 C ATOM 970 CG ARG A 57 -7.486 -8.824 0.850 1.00 54.31 C ATOM 971 CD ARG A 57 -8.794 -9.501 0.480 1.00 33.13 C ATOM 972 NE ARG A 57 -8.768 -10.941 0.757 1.00 45.05 N ATOM 973 CZ ARG A 57 -9.776 -11.787 0.500 1.00 12.11 C ATOM 974 NH1 ARG A 57 -10.913 -11.359 -0.045 1.00 21.43 N ATOM 975 NH2 ARG A 57 -9.642 -13.074 0.793 1.00 4.55 N ATOM 0 H ARG A 57 -7.799 -5.094 1.805 1.00 73.41 H new ATOM 0 HA ARG A 57 -5.925 -7.158 2.112 1.00 3.13 H new ATOM 0 HB2 ARG A 57 -8.489 -6.993 1.311 1.00 41.00 H new ATOM 0 HB3 ARG A 57 -7.749 -7.026 -0.278 1.00 41.00 H new ATOM 0 HG2 ARG A 57 -6.695 -9.168 0.184 1.00 54.31 H new ATOM 0 HG3 ARG A 57 -7.199 -9.112 1.861 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -9.610 -9.040 1.036 1.00 33.13 H new ATOM 0 HD3 ARG A 57 -8.998 -9.340 -0.578 1.00 33.13 H new ATOM 0 HE ARG A 57 -7.922 -11.327 1.176 1.00 45.05 H new ATOM 0 HH11 ARG A 57 -11.029 -10.372 -0.275 1.00 21.43 H new ATOM 0 HH12 ARG A 57 -11.668 -12.018 -0.233 1.00 21.43 H new ATOM 0 HH21 ARG A 57 -8.776 -13.414 1.211 1.00 4.55 H new ATOM 0 HH22 ARG A 57 -10.405 -13.723 0.600 1.00 4.55 H new ATOM 989 N GLY A 58 -5.554 -5.382 -0.642 1.00 75.12 N ATOM 990 CA GLY A 58 -4.624 -5.072 -1.730 1.00 3.21 C ATOM 991 C GLY A 58 -3.243 -4.651 -1.238 1.00 15.14 C ATOM 992 O GLY A 58 -2.259 -4.769 -1.975 1.00 21.04 O ATOM 0 H GLY A 58 -6.369 -4.770 -0.600 1.00 75.12 H new ATOM 0 HA2 GLY A 58 -4.523 -5.946 -2.373 1.00 3.21 H new ATOM 0 HA3 GLY A 58 -5.044 -4.273 -2.342 1.00 3.21 H new ATOM 996 N TRP A 59 -3.178 -4.158 0.012 1.00 34.52 N ATOM 997 CA TRP A 59 -1.915 -3.737 0.625 1.00 11.53 C ATOM 998 C TRP A 59 -1.158 -4.928 1.204 1.00 15.11 C ATOM 999 O TRP A 59 0.052 -5.035 1.024 1.00 30.32 O ATOM 1000 CB TRP A 59 -2.157 -2.697 1.728 1.00 30.13 C ATOM 1001 CG TRP A 59 -2.154 -1.259 1.254 1.00 24.41 C ATOM 1002 CD1 TRP A 59 -2.441 -0.791 -0.004 1.00 50.03 C ATOM 1003 CD2 TRP A 59 -1.848 -0.097 2.044 1.00 23.30 C ATOM 1004 NE1 TRP A 59 -2.329 0.577 -0.039 1.00 12.30 N ATOM 1005 CE2 TRP A 59 -1.968 1.026 1.203 1.00 64.24 C ATOM 1006 CE3 TRP A 59 -1.484 0.103 3.382 1.00 10.45 C ATOM 1007 CZ2 TRP A 59 -1.738 2.323 1.654 1.00 44.24 C ATOM 1008 CZ3 TRP A 59 -1.257 1.391 3.827 1.00 4.50 C ATOM 1009 CH2 TRP A 59 -1.385 2.486 2.965 1.00 20.34 C ATOM 0 H TRP A 59 -3.992 -4.043 0.616 1.00 34.52 H new ATOM 0 HA TRP A 59 -1.310 -3.285 -0.161 1.00 11.53 H new ATOM 0 HB2 TRP A 59 -3.116 -2.907 2.202 1.00 30.13 H new ATOM 0 HB3 TRP A 59 -1.390 -2.814 2.494 1.00 30.13 H new ATOM 0 HD1 TRP A 59 -2.715 -1.410 -0.845 1.00 50.03 H new ATOM 0 HE1 TRP A 59 -2.489 1.164 -0.858 1.00 12.30 H new ATOM 0 HE3 TRP A 59 -1.383 -0.736 4.055 1.00 10.45 H new ATOM 0 HZ2 TRP A 59 -1.835 3.171 0.992 1.00 44.24 H new ATOM 0 HZ3 TRP A 59 -0.976 1.556 4.857 1.00 4.50 H new ATOM 0 HH2 TRP A 59 -1.201 3.481 3.343 1.00 20.34 H new ATOM 1020 N GLU A 60 -1.885 -5.830 1.885 1.00 64.02 N ATOM 1021 CA GLU A 60 -1.279 -7.024 2.502 1.00 11.50 C ATOM 1022 C GLU A 60 -0.772 -8.012 1.446 1.00 31.21 C ATOM 1023 O GLU A 60 0.277 -8.637 1.628 1.00 2.33 O ATOM 1024 CB GLU A 60 -2.278 -7.734 3.433 1.00 15.25 C ATOM 1025 CG GLU A 60 -2.792 -6.865 4.568 1.00 64.33 C ATOM 1026 CD GLU A 60 -3.432 -7.672 5.680 1.00 71.32 C ATOM 1027 OE1 GLU A 60 -2.784 -7.853 6.731 1.00 12.21 O ATOM 1028 OE2 GLU A 60 -4.583 -8.122 5.499 1.00 23.02 O ATOM 0 H GLU A 60 -2.893 -5.756 2.023 1.00 64.02 H new ATOM 0 HA GLU A 60 -0.428 -6.678 3.089 1.00 11.50 H new ATOM 0 HB2 GLU A 60 -3.126 -8.081 2.842 1.00 15.25 H new ATOM 0 HB3 GLU A 60 -1.800 -8.619 3.854 1.00 15.25 H new ATOM 0 HG2 GLU A 60 -1.966 -6.282 4.977 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -3.520 -6.155 4.175 1.00 64.33 H new ATOM 1035 N GLU A 61 -1.529 -8.141 0.348 1.00 13.22 N ATOM 1036 CA GLU A 61 -1.171 -9.042 -0.753 1.00 4.04 C ATOM 1037 C GLU A 61 -0.197 -8.381 -1.736 1.00 23.14 C ATOM 1038 O GLU A 61 0.536 -9.077 -2.440 1.00 64.00 O ATOM 1039 CB GLU A 61 -2.431 -9.498 -1.503 1.00 12.20 C ATOM 1040 CG GLU A 61 -3.291 -10.499 -0.735 1.00 33.24 C ATOM 1041 CD GLU A 61 -2.751 -11.918 -0.801 1.00 73.22 C ATOM 1042 OE1 GLU A 61 -3.133 -12.656 -1.733 1.00 24.44 O ATOM 1043 OE2 GLU A 61 -1.947 -12.289 0.080 1.00 21.23 O ATOM 0 H GLU A 61 -2.398 -7.629 0.199 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.674 -9.908 -0.315 1.00 4.04 H new ATOM 0 HB2 GLU A 61 -3.036 -8.623 -1.739 1.00 12.20 H new ATOM 0 HB3 GLU A 61 -2.133 -9.945 -2.452 1.00 12.20 H new ATOM 0 HG2 GLU A 61 -3.356 -10.189 0.308 1.00 33.24 H new ATOM 0 HG3 GLU A 61 -4.304 -10.483 -1.136 1.00 33.24 H new ATOM 1050 N GLY A 62 -0.195 -7.038 -1.764 1.00 2.32 N ATOM 1051 CA GLY A 62 0.675 -6.290 -2.668 1.00 34.53 C ATOM 1052 C GLY A 62 2.034 -5.954 -2.070 1.00 41.44 C ATOM 1053 O GLY A 62 3.061 -6.138 -2.730 1.00 71.54 O ATOM 0 H GLY A 62 -0.786 -6.456 -1.171 1.00 2.32 H new ATOM 0 HA2 GLY A 62 0.822 -6.870 -3.579 1.00 34.53 H new ATOM 0 HA3 GLY A 62 0.176 -5.365 -2.956 1.00 34.53 H new ATOM 1057 N VAL A 63 2.040 -5.461 -0.819 1.00 13.21 N ATOM 1058 CA VAL A 63 3.284 -5.085 -0.117 1.00 21.10 C ATOM 1059 C VAL A 63 4.195 -6.308 0.120 1.00 62.21 C ATOM 1060 O VAL A 63 5.415 -6.172 0.250 1.00 10.30 O ATOM 1061 CB VAL A 63 2.964 -4.360 1.232 1.00 1.44 C ATOM 1062 CG1 VAL A 63 2.651 -5.337 2.372 1.00 73.30 C ATOM 1063 CG2 VAL A 63 4.097 -3.421 1.624 1.00 1.13 C ATOM 0 H VAL A 63 1.194 -5.312 -0.269 1.00 13.21 H new ATOM 0 HA VAL A 63 3.826 -4.391 -0.759 1.00 21.10 H new ATOM 0 HB VAL A 63 2.061 -3.773 1.064 1.00 1.44 H new ATOM 0 HG11 VAL A 63 2.437 -4.777 3.282 1.00 73.30 H new ATOM 0 HG12 VAL A 63 1.784 -5.941 2.105 1.00 73.30 H new ATOM 0 HG13 VAL A 63 3.509 -5.988 2.540 1.00 73.30 H new ATOM 0 HG21 VAL A 63 3.852 -2.928 2.565 1.00 1.13 H new ATOM 0 HG22 VAL A 63 5.018 -3.992 1.742 1.00 1.13 H new ATOM 0 HG23 VAL A 63 4.233 -2.670 0.846 1.00 1.13 H new ATOM 1073 N ALA A 64 3.568 -7.487 0.170 1.00 31.45 N ATOM 1074 CA ALA A 64 4.268 -8.759 0.381 1.00 31.03 C ATOM 1075 C ALA A 64 4.995 -9.226 -0.887 1.00 33.41 C ATOM 1076 O ALA A 64 5.769 -10.188 -0.851 1.00 20.51 O ATOM 1077 CB ALA A 64 3.273 -9.816 0.836 1.00 31.20 C ATOM 0 H ALA A 64 2.558 -7.587 0.065 1.00 31.45 H new ATOM 0 HA ALA A 64 5.023 -8.607 1.152 1.00 31.03 H new ATOM 0 HB1 ALA A 64 3.793 -10.761 0.993 1.00 31.20 H new ATOM 0 HB2 ALA A 64 2.807 -9.499 1.769 1.00 31.20 H new ATOM 0 HB3 ALA A 64 2.506 -9.946 0.073 1.00 31.20 H new ATOM 1083 N GLN A 65 4.739 -8.524 -1.997 1.00 10.14 N ATOM 1084 CA GLN A 65 5.349 -8.840 -3.293 1.00 4.44 C ATOM 1085 C GLN A 65 6.633 -8.028 -3.517 1.00 1.34 C ATOM 1086 O GLN A 65 7.361 -8.264 -4.487 1.00 54.10 O ATOM 1087 CB GLN A 65 4.348 -8.563 -4.426 1.00 23.01 C ATOM 1088 CG GLN A 65 2.985 -9.222 -4.222 1.00 41.22 C ATOM 1089 CD GLN A 65 2.054 -9.090 -5.417 1.00 21.44 C ATOM 1090 OE1 GLN A 65 2.473 -9.190 -6.572 1.00 10.20 O ATOM 1091 NE2 GLN A 65 0.775 -8.850 -5.140 1.00 4.02 N ATOM 0 H GLN A 65 4.106 -7.725 -2.022 1.00 10.14 H new ATOM 0 HA GLN A 65 5.613 -9.897 -3.294 1.00 4.44 H new ATOM 0 HB2 GLN A 65 4.210 -7.486 -4.520 1.00 23.01 H new ATOM 0 HB3 GLN A 65 4.773 -8.913 -5.367 1.00 23.01 H new ATOM 0 HG2 GLN A 65 3.132 -10.280 -4.003 1.00 41.22 H new ATOM 0 HG3 GLN A 65 2.505 -8.780 -3.349 1.00 41.22 H new ATOM 0 HE21 GLN A 65 0.469 -8.774 -4.170 1.00 4.02 H new ATOM 0 HE22 GLN A 65 0.101 -8.742 -5.898 1.00 4.02 H new ATOM 1100 N MET A 66 6.903 -7.079 -2.608 1.00 51.30 N ATOM 1101 CA MET A 66 8.090 -6.222 -2.694 1.00 45.42 C ATOM 1102 C MET A 66 9.091 -6.565 -1.589 1.00 14.24 C ATOM 1103 O MET A 66 8.716 -7.117 -0.550 1.00 42.21 O ATOM 1104 CB MET A 66 7.722 -4.727 -2.605 1.00 54.20 C ATOM 1105 CG MET A 66 6.229 -4.411 -2.515 1.00 71.10 C ATOM 1106 SD MET A 66 5.833 -2.715 -3.007 1.00 71.25 S ATOM 1107 CE MET A 66 6.921 -1.758 -1.948 1.00 23.31 C ATOM 0 H MET A 66 6.310 -6.887 -1.801 1.00 51.30 H new ATOM 0 HA MET A 66 8.546 -6.408 -3.666 1.00 45.42 H new ATOM 0 HB2 MET A 66 8.217 -4.302 -1.732 1.00 54.20 H new ATOM 0 HB3 MET A 66 8.129 -4.220 -3.480 1.00 54.20 H new ATOM 0 HG2 MET A 66 5.678 -5.105 -3.149 1.00 71.10 H new ATOM 0 HG3 MET A 66 5.890 -4.575 -1.492 1.00 71.10 H new ATOM 0 HE1 MET A 66 6.730 -0.695 -2.096 1.00 23.31 H new ATOM 0 HE2 MET A 66 6.736 -2.019 -0.906 1.00 23.31 H new ATOM 0 HE3 MET A 66 7.959 -1.978 -2.198 1.00 23.31 H new ATOM 1117 N SER A 67 10.363 -6.223 -1.826 1.00 4.44 N ATOM 1118 CA SER A 67 11.442 -6.483 -0.868 1.00 50.24 C ATOM 1119 C SER A 67 11.965 -5.172 -0.278 1.00 5.23 C ATOM 1120 O SER A 67 11.668 -4.097 -0.800 1.00 51.25 O ATOM 1121 CB SER A 67 12.580 -7.248 -1.555 1.00 21.11 C ATOM 1122 OG SER A 67 12.969 -6.610 -2.761 1.00 40.45 O ATOM 0 H SER A 67 10.671 -5.761 -2.682 1.00 4.44 H new ATOM 0 HA SER A 67 11.047 -7.092 -0.055 1.00 50.24 H new ATOM 0 HB2 SER A 67 13.435 -7.314 -0.883 1.00 21.11 H new ATOM 0 HB3 SER A 67 12.261 -8.269 -1.766 1.00 21.11 H new ATOM 0 HG SER A 67 12.561 -7.073 -3.522 1.00 40.45 H new ATOM 1128 N VAL A 68 12.758 -5.270 0.808 1.00 33.02 N ATOM 1129 CA VAL A 68 13.337 -4.093 1.493 1.00 53.10 C ATOM 1130 C VAL A 68 14.147 -3.222 0.515 1.00 12.43 C ATOM 1131 O VAL A 68 15.086 -3.701 -0.128 1.00 21.20 O ATOM 1132 CB VAL A 68 14.230 -4.525 2.700 1.00 34.11 C ATOM 1133 CG1 VAL A 68 15.015 -3.352 3.286 1.00 30.52 C ATOM 1134 CG2 VAL A 68 13.381 -5.167 3.792 1.00 13.21 C ATOM 0 H VAL A 68 13.015 -6.161 1.234 1.00 33.02 H new ATOM 0 HA VAL A 68 12.507 -3.498 1.875 1.00 53.10 H new ATOM 0 HB VAL A 68 14.947 -5.252 2.319 1.00 34.11 H new ATOM 0 HG11 VAL A 68 15.621 -3.701 4.122 1.00 30.52 H new ATOM 0 HG12 VAL A 68 15.664 -2.929 2.519 1.00 30.52 H new ATOM 0 HG13 VAL A 68 14.321 -2.588 3.635 1.00 30.52 H new ATOM 0 HG21 VAL A 68 14.020 -5.461 4.624 1.00 13.21 H new ATOM 0 HG22 VAL A 68 12.636 -4.452 4.142 1.00 13.21 H new ATOM 0 HG23 VAL A 68 12.878 -6.047 3.392 1.00 13.21 H new ATOM 1144 N GLY A 69 13.757 -1.946 0.422 1.00 54.02 N ATOM 1145 CA GLY A 69 14.424 -1.002 -0.467 1.00 71.34 C ATOM 1146 C GLY A 69 13.798 -0.937 -1.854 1.00 5.22 C ATOM 1147 O GLY A 69 14.300 -0.221 -2.725 1.00 23.21 O ATOM 0 H GLY A 69 12.983 -1.548 0.953 1.00 54.02 H new ATOM 0 HA2 GLY A 69 14.398 -0.009 -0.017 1.00 71.34 H new ATOM 0 HA3 GLY A 69 15.473 -1.282 -0.562 1.00 71.34 H new ATOM 1151 N GLN A 70 12.702 -1.686 -2.059 1.00 55.02 N ATOM 1152 CA GLN A 70 12.011 -1.719 -3.349 1.00 4.10 C ATOM 1153 C GLN A 70 10.857 -0.717 -3.387 1.00 65.14 C ATOM 1154 O GLN A 70 10.153 -0.522 -2.392 1.00 64.15 O ATOM 1155 CB GLN A 70 11.481 -3.131 -3.645 1.00 54.10 C ATOM 1156 CG GLN A 70 11.259 -3.405 -5.128 1.00 53.24 C ATOM 1157 CD GLN A 70 10.521 -4.703 -5.389 1.00 75.44 C ATOM 1158 OE1 GLN A 70 9.213 -4.605 -5.599 1.00 62.23 O flip ATOM 1159 NE2 GLN A 70 11.121 -5.777 -5.424 1.00 4.25 N flip ATOM 0 H GLN A 70 12.278 -2.276 -1.343 1.00 55.02 H new ATOM 0 HA GLN A 70 12.735 -1.441 -4.115 1.00 4.10 H new ATOM 0 HB2 GLN A 70 12.185 -3.864 -3.251 1.00 54.10 H new ATOM 0 HB3 GLN A 70 10.540 -3.275 -3.113 1.00 54.10 H new ATOM 0 HG2 GLN A 70 10.696 -2.580 -5.563 1.00 53.24 H new ATOM 0 HG3 GLN A 70 12.224 -3.434 -5.634 1.00 53.24 H new ATOM 0 HE21 GLN A 70 12.127 -5.805 -5.257 1.00 4.25 H new ATOM 0 HE22 GLN A 70 10.613 -6.639 -5.621 1.00 4.25 H new ATOM 1168 N ARG A 71 10.688 -0.093 -4.553 1.00 33.42 N ATOM 1169 CA ARG A 71 9.621 0.879 -4.779 1.00 34.40 C ATOM 1170 C ARG A 71 8.731 0.402 -5.932 1.00 60.34 C ATOM 1171 O ARG A 71 9.154 0.395 -7.094 1.00 3.51 O ATOM 1172 CB ARG A 71 10.221 2.264 -5.080 1.00 73.14 C ATOM 1173 CG ARG A 71 9.273 3.432 -4.816 1.00 14.30 C ATOM 1174 CD ARG A 71 9.031 4.241 -6.079 1.00 71.52 C ATOM 1175 NE ARG A 71 8.038 5.301 -5.871 1.00 3.22 N ATOM 1176 CZ ARG A 71 7.968 6.433 -6.587 1.00 32.00 C ATOM 1177 NH1 ARG A 71 8.829 6.680 -7.573 1.00 54.01 N ATOM 1178 NH2 ARG A 71 7.026 7.324 -6.311 1.00 42.24 N ATOM 0 H ARG A 71 11.286 -0.247 -5.365 1.00 33.42 H new ATOM 0 HA ARG A 71 9.010 0.966 -3.881 1.00 34.40 H new ATOM 0 HB2 ARG A 71 11.119 2.397 -4.476 1.00 73.14 H new ATOM 0 HB3 ARG A 71 10.532 2.293 -6.124 1.00 73.14 H new ATOM 0 HG2 ARG A 71 8.324 3.054 -4.436 1.00 14.30 H new ATOM 0 HG3 ARG A 71 9.692 4.076 -4.043 1.00 14.30 H new ATOM 0 HD2 ARG A 71 9.970 4.684 -6.411 1.00 71.52 H new ATOM 0 HD3 ARG A 71 8.692 3.578 -6.875 1.00 71.52 H new ATOM 0 HE ARG A 71 7.352 5.167 -5.128 1.00 3.22 H new ATOM 0 HH11 ARG A 71 9.558 6.002 -7.795 1.00 54.01 H new ATOM 0 HH12 ARG A 71 8.759 7.547 -8.106 1.00 54.01 H new ATOM 0 HH21 ARG A 71 6.361 7.146 -5.558 1.00 42.24 H new ATOM 0 HH22 ARG A 71 6.966 8.187 -6.851 1.00 42.24 H new ATOM 1192 N ALA A 72 7.503 -0.010 -5.595 1.00 5.10 N ATOM 1193 CA ALA A 72 6.550 -0.509 -6.588 1.00 53.23 C ATOM 1194 C ALA A 72 5.172 0.139 -6.430 1.00 61.04 C ATOM 1195 O ALA A 72 4.825 0.616 -5.344 1.00 32.53 O ATOM 1196 CB ALA A 72 6.439 -2.026 -6.488 1.00 53.11 C ATOM 0 H ALA A 72 7.147 -0.007 -4.639 1.00 5.10 H new ATOM 0 HA ALA A 72 6.925 -0.240 -7.575 1.00 53.23 H new ATOM 0 HB1 ALA A 72 5.728 -2.389 -7.230 1.00 53.11 H new ATOM 0 HB2 ALA A 72 7.415 -2.475 -6.671 1.00 53.11 H new ATOM 0 HB3 ALA A 72 6.094 -2.301 -5.491 1.00 53.11 H new HETATM 1202 N MLY A 73 4.394 0.148 -7.524 1.00 72.40 N HETATM 1203 CA MLY A 73 3.050 0.725 -7.526 1.00 10.44 C HETATM 1204 CB MLY A 73 2.861 1.612 -8.761 1.00 42.22 C HETATM 1205 CG MLY A 73 2.033 2.864 -8.501 1.00 32.23 C HETATM 1206 CD MLY A 73 1.871 3.702 -9.764 1.00 43.41 C HETATM 1207 CE MLY A 73 2.834 4.883 -9.785 1.00 12.10 C HETATM 1208 NZ MLY A 73 2.616 5.687 -10.999 1.00 24.53 N HETATM 1209 CH1 MLY A 73 3.852 5.722 -11.796 1.00 62.33 C HETATM 1210 CH2 MLY A 73 2.240 7.059 -10.622 1.00 20.10 C HETATM 1211 C MLY A 73 1.996 -0.378 -7.502 1.00 30.22 C HETATM 1212 O MLY A 73 2.004 -1.270 -8.355 1.00 52.40 O HETATM 0 HH23 MLY A 73 1.323 7.036 -10.034 1.00 20.10 H new HETATM 0 HH22 MLY A 73 3.039 7.506 -10.031 1.00 20.10 H new HETATM 0 HH21 MLY A 73 2.079 7.652 -11.522 1.00 20.10 H new HETATM 0 HH13 MLY A 73 4.653 6.167 -11.206 1.00 62.33 H new HETATM 0 HH12 MLY A 73 4.131 4.707 -12.079 1.00 62.33 H new HETATM 0 HH11 MLY A 73 3.689 6.317 -12.694 1.00 62.33 H new HETATM 0 HG3 MLY A 73 1.051 2.579 -8.124 1.00 32.23 H new HETATM 0 HG2 MLY A 73 2.511 3.462 -7.725 1.00 32.23 H new HETATM 0 HE3 MLY A 73 2.686 5.500 -8.899 1.00 12.10 H new HETATM 0 HE2 MLY A 73 3.863 4.525 -9.756 1.00 12.10 H new HETATM 0 HD3 MLY A 73 2.043 3.077 -10.640 1.00 43.41 H new HETATM 0 HD2 MLY A 73 0.846 4.067 -9.829 1.00 43.41 H new HETATM 0 HB3 MLY A 73 3.840 1.908 -9.137 1.00 42.22 H new HETATM 0 HB2 MLY A 73 2.381 1.028 -9.546 1.00 42.22 H new HETATM 0 HA MLY A 73 2.931 1.336 -6.631 1.00 10.44 H new HETATM 0 H MLY A 73 5.043 0.364 -8.281 1.00 72.40 H new ATOM 1229 N LEU A 74 1.094 -0.308 -6.519 1.00 74.52 N ATOM 1230 CA LEU A 74 0.031 -1.307 -6.368 1.00 74.33 C ATOM 1231 C LEU A 74 -1.325 -0.723 -6.761 1.00 30.42 C ATOM 1232 O LEU A 74 -1.745 0.309 -6.227 1.00 24.14 O ATOM 1233 CB LEU A 74 -0.048 -1.847 -4.922 1.00 54.31 C ATOM 1234 CG LEU A 74 1.177 -1.602 -4.033 1.00 51.21 C ATOM 1235 CD1 LEU A 74 0.986 -0.325 -3.229 1.00 53.33 C ATOM 1236 CD2 LEU A 74 1.419 -2.793 -3.111 1.00 45.42 C ATOM 0 H LEU A 74 1.078 0.430 -5.815 1.00 74.52 H new ATOM 0 HA LEU A 74 0.279 -2.134 -7.034 1.00 74.33 H new ATOM 0 HB2 LEU A 74 -0.916 -1.400 -4.438 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -0.227 -2.921 -4.968 1.00 54.31 H new ATOM 0 HG LEU A 74 2.056 -1.486 -4.668 1.00 51.21 H new ATOM 0 HD11 LEU A 74 1.860 -0.157 -2.600 1.00 53.33 H new ATOM 0 HD12 LEU A 74 0.861 0.518 -3.909 1.00 53.33 H new ATOM 0 HD13 LEU A 74 0.100 -0.419 -2.601 1.00 53.33 H new ATOM 0 HD21 LEU A 74 2.293 -2.600 -2.488 1.00 45.42 H new ATOM 0 HD22 LEU A 74 0.547 -2.944 -2.475 1.00 45.42 H new ATOM 0 HD23 LEU A 74 1.591 -3.687 -3.710 1.00 45.42 H new ATOM 1248 N THR A 75 -1.994 -1.393 -7.703 1.00 22.43 N ATOM 1249 CA THR A 75 -3.315 -0.985 -8.179 1.00 34.30 C ATOM 1250 C THR A 75 -4.393 -1.761 -7.416 1.00 11.12 C ATOM 1251 O THR A 75 -4.509 -2.983 -7.564 1.00 0.33 O ATOM 1252 CB THR A 75 -3.463 -1.230 -9.705 1.00 53.12 C ATOM 1253 OG1 THR A 75 -2.285 -0.785 -10.389 1.00 4.44 O ATOM 1254 CG2 THR A 75 -4.678 -0.505 -10.282 1.00 22.41 C ATOM 0 H THR A 75 -1.634 -2.233 -8.156 1.00 22.43 H new ATOM 0 HA THR A 75 -3.433 0.083 -7.999 1.00 34.30 H new ATOM 0 HB THR A 75 -3.602 -2.301 -9.850 1.00 53.12 H new ATOM 0 HG1 THR A 75 -1.550 -1.409 -10.214 1.00 4.44 H new ATOM 0 HG21 THR A 75 -4.745 -0.702 -11.352 1.00 22.41 H new ATOM 0 HG22 THR A 75 -5.582 -0.862 -9.789 1.00 22.41 H new ATOM 0 HG23 THR A 75 -4.574 0.567 -10.117 1.00 22.41 H new ATOM 1262 N ILE A 76 -5.167 -1.044 -6.597 1.00 31.12 N ATOM 1263 CA ILE A 76 -6.221 -1.666 -5.800 1.00 1.42 C ATOM 1264 C ILE A 76 -7.603 -1.320 -6.344 1.00 60.35 C ATOM 1265 O ILE A 76 -7.856 -0.194 -6.782 1.00 13.12 O ATOM 1266 CB ILE A 76 -6.145 -1.271 -4.288 1.00 70.02 C ATOM 1267 CG1 ILE A 76 -4.675 -1.129 -3.791 1.00 70.21 C ATOM 1268 CG2 ILE A 76 -6.924 -2.277 -3.429 1.00 75.11 C ATOM 1269 CD1 ILE A 76 -3.823 -2.394 -3.841 1.00 11.52 C ATOM 0 H ILE A 76 -5.082 -0.035 -6.470 1.00 31.12 H new ATOM 0 HA ILE A 76 -6.059 -2.741 -5.876 1.00 1.42 H new ATOM 0 HB ILE A 76 -6.610 -0.291 -4.183 1.00 70.02 H new ATOM 0 HG12 ILE A 76 -4.184 -0.361 -4.388 1.00 70.21 H new ATOM 0 HG13 ILE A 76 -4.694 -0.769 -2.762 1.00 70.21 H new ATOM 0 HG21 ILE A 76 -6.860 -1.986 -2.380 1.00 75.11 H new ATOM 0 HG22 ILE A 76 -7.969 -2.288 -3.739 1.00 75.11 H new ATOM 0 HG23 ILE A 76 -6.497 -3.272 -3.556 1.00 75.11 H new ATOM 0 HD11 ILE A 76 -2.822 -2.173 -3.471 1.00 11.52 H new ATOM 0 HD12 ILE A 76 -4.278 -3.164 -3.218 1.00 11.52 H new ATOM 0 HD13 ILE A 76 -3.760 -2.750 -4.869 1.00 11.52 H new ATOM 1281 N SER A 77 -8.478 -2.319 -6.299 1.00 11.11 N ATOM 1282 CA SER A 77 -9.861 -2.193 -6.749 1.00 42.11 C ATOM 1283 C SER A 77 -10.791 -2.055 -5.536 1.00 43.15 C ATOM 1284 O SER A 77 -10.380 -2.384 -4.423 1.00 74.23 O ATOM 1285 CB SER A 77 -10.257 -3.414 -7.600 1.00 53.42 C ATOM 1286 OG SER A 77 -9.464 -4.550 -7.291 1.00 32.12 O ATOM 0 H SER A 77 -8.246 -3.247 -5.946 1.00 11.11 H new ATOM 0 HA SER A 77 -9.956 -1.300 -7.367 1.00 42.11 H new ATOM 0 HB2 SER A 77 -11.308 -3.648 -7.433 1.00 53.42 H new ATOM 0 HB3 SER A 77 -10.148 -3.171 -8.657 1.00 53.42 H new ATOM 0 HG SER A 77 -8.588 -4.464 -7.722 1.00 32.12 H new ATOM 1292 N PRO A 78 -12.064 -1.574 -5.712 1.00 14.41 N ATOM 1293 CA PRO A 78 -13.007 -1.411 -4.585 1.00 50.11 C ATOM 1294 C PRO A 78 -13.349 -2.737 -3.891 1.00 62.43 C ATOM 1295 O PRO A 78 -13.832 -2.741 -2.763 1.00 15.12 O ATOM 1296 CB PRO A 78 -14.258 -0.794 -5.225 1.00 32.31 C ATOM 1297 CG PRO A 78 -14.147 -1.077 -6.686 1.00 23.43 C ATOM 1298 CD PRO A 78 -12.679 -1.164 -6.994 1.00 55.53 C ATOM 0 HA PRO A 78 -12.574 -0.793 -3.799 1.00 50.11 H new ATOM 0 HB2 PRO A 78 -15.166 -1.231 -4.810 1.00 32.31 H new ATOM 0 HB3 PRO A 78 -14.305 0.279 -5.037 1.00 32.31 H new ATOM 0 HG2 PRO A 78 -14.652 -2.009 -6.940 1.00 23.43 H new ATOM 0 HG3 PRO A 78 -14.620 -0.288 -7.271 1.00 23.43 H new ATOM 0 HD2 PRO A 78 -12.480 -1.890 -7.782 1.00 55.53 H new ATOM 0 HD3 PRO A 78 -12.286 -0.207 -7.336 1.00 55.53 H new ATOM 1306 N ASP A 79 -13.074 -3.855 -4.578 1.00 12.13 N ATOM 1307 CA ASP A 79 -13.326 -5.199 -4.039 1.00 63.51 C ATOM 1308 C ASP A 79 -12.169 -5.661 -3.143 1.00 41.14 C ATOM 1309 O ASP A 79 -12.243 -6.716 -2.503 1.00 2.04 O ATOM 1310 CB ASP A 79 -13.516 -6.189 -5.185 1.00 74.51 C ATOM 1311 CG ASP A 79 -14.927 -6.740 -5.250 1.00 73.03 C ATOM 1312 OD1 ASP A 79 -15.772 -6.129 -5.937 1.00 41.30 O ATOM 1313 OD2 ASP A 79 -15.186 -7.784 -4.614 1.00 45.33 O ATOM 0 H ASP A 79 -12.674 -3.854 -5.516 1.00 12.13 H new ATOM 0 HA ASP A 79 -14.232 -5.159 -3.435 1.00 63.51 H new ATOM 0 HB2 ASP A 79 -13.278 -5.698 -6.128 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -12.813 -7.014 -5.069 1.00 74.51 H new ATOM 1318 N TYR A 80 -11.114 -4.845 -3.108 1.00 23.22 N ATOM 1319 CA TYR A 80 -9.921 -5.111 -2.304 1.00 53.15 C ATOM 1320 C TYR A 80 -9.650 -3.923 -1.395 1.00 65.53 C ATOM 1321 O TYR A 80 -9.041 -4.063 -0.330 1.00 12.33 O ATOM 1322 CB TYR A 80 -8.705 -5.370 -3.204 1.00 14.24 C ATOM 1323 CG TYR A 80 -8.494 -6.831 -3.548 1.00 54.54 C ATOM 1324 CD1 TYR A 80 -9.385 -7.515 -4.370 1.00 24.12 C ATOM 1325 CD2 TYR A 80 -7.400 -7.527 -3.047 1.00 35.12 C ATOM 1326 CE1 TYR A 80 -9.193 -8.846 -4.678 1.00 2.42 C ATOM 1327 CE2 TYR A 80 -7.202 -8.859 -3.353 1.00 30.14 C ATOM 1328 CZ TYR A 80 -8.100 -9.514 -4.167 1.00 23.34 C ATOM 1329 OH TYR A 80 -7.906 -10.842 -4.473 1.00 73.03 O ATOM 0 H TYR A 80 -11.064 -3.976 -3.640 1.00 23.22 H new ATOM 0 HA TYR A 80 -10.095 -6.002 -1.701 1.00 53.15 H new ATOM 0 HB2 TYR A 80 -8.822 -4.803 -4.127 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -7.811 -4.991 -2.708 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -10.241 -6.995 -4.774 1.00 24.12 H new ATOM 0 HD2 TYR A 80 -6.694 -7.018 -2.408 1.00 35.12 H new ATOM 0 HE1 TYR A 80 -9.895 -9.362 -5.316 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -6.347 -9.385 -2.956 1.00 30.14 H new ATOM 0 HH TYR A 80 -7.090 -11.163 -4.035 1.00 73.03 H new ATOM 1339 N ALA A 81 -10.117 -2.753 -1.842 1.00 54.11 N ATOM 1340 CA ALA A 81 -9.962 -1.513 -1.107 1.00 1.04 C ATOM 1341 C ALA A 81 -11.262 -1.125 -0.423 1.00 31.52 C ATOM 1342 O ALA A 81 -12.165 -0.545 -1.041 1.00 11.01 O ATOM 1343 CB ALA A 81 -9.509 -0.390 -2.019 1.00 23.45 C ATOM 0 H ALA A 81 -10.613 -2.649 -2.727 1.00 54.11 H new ATOM 0 HA ALA A 81 -9.197 -1.675 -0.348 1.00 1.04 H new ATOM 0 HB1 ALA A 81 -9.401 0.527 -1.440 1.00 23.45 H new ATOM 0 HB2 ALA A 81 -8.551 -0.650 -2.468 1.00 23.45 H new ATOM 0 HB3 ALA A 81 -10.249 -0.239 -2.805 1.00 23.45 H new ATOM 1349 N TYR A 82 -11.358 -1.498 0.856 1.00 35.34 N ATOM 1350 CA TYR A 82 -12.511 -1.181 1.733 1.00 21.22 C ATOM 1351 C TYR A 82 -13.738 -2.049 1.417 1.00 64.31 C ATOM 1352 O TYR A 82 -14.320 -2.650 2.325 1.00 12.00 O ATOM 1353 CB TYR A 82 -12.891 0.321 1.676 1.00 60.11 C ATOM 1354 CG TYR A 82 -11.732 1.282 1.896 1.00 23.55 C ATOM 1355 CD1 TYR A 82 -11.266 1.556 3.177 1.00 60.20 C ATOM 1356 CD2 TYR A 82 -11.109 1.919 0.822 1.00 2.31 C ATOM 1357 CE1 TYR A 82 -10.217 2.432 3.385 1.00 51.12 C ATOM 1358 CE2 TYR A 82 -10.058 2.795 1.025 1.00 74.54 C ATOM 1359 CZ TYR A 82 -9.617 3.048 2.307 1.00 74.23 C ATOM 1360 OH TYR A 82 -8.573 3.920 2.511 1.00 54.35 O ATOM 0 H TYR A 82 -10.631 -2.037 1.327 1.00 35.34 H new ATOM 0 HA TYR A 82 -12.187 -1.412 2.748 1.00 21.22 H new ATOM 0 HB2 TYR A 82 -13.339 0.531 0.705 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -13.655 0.517 2.429 1.00 60.11 H new ATOM 0 HD1 TYR A 82 -11.732 1.076 4.025 1.00 60.20 H new ATOM 0 HD2 TYR A 82 -11.453 1.725 -0.183 1.00 2.31 H new ATOM 0 HE1 TYR A 82 -9.869 2.633 4.387 1.00 51.12 H new ATOM 0 HE2 TYR A 82 -9.585 3.279 0.183 1.00 74.54 H new ATOM 0 HH TYR A 82 -8.263 4.266 1.648 1.00 54.35 H new ATOM 1370 N GLY A 83 -14.122 -2.108 0.134 1.00 3.43 N ATOM 1371 CA GLY A 83 -15.273 -2.901 -0.274 1.00 10.01 C ATOM 1372 C GLY A 83 -16.239 -2.128 -1.154 1.00 71.34 C ATOM 1373 O GLY A 83 -15.824 -1.241 -1.906 1.00 23.23 O ATOM 0 H GLY A 83 -13.652 -1.618 -0.627 1.00 3.43 H new ATOM 0 HA2 GLY A 83 -14.928 -3.785 -0.811 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -15.799 -3.252 0.614 1.00 10.01 H new ATOM 1377 N ALA A 84 -17.530 -2.468 -1.051 1.00 25.11 N ATOM 1378 CA ALA A 84 -18.582 -1.819 -1.844 1.00 33.53 C ATOM 1379 C ALA A 84 -19.121 -0.549 -1.175 1.00 20.43 C ATOM 1380 O ALA A 84 -19.884 0.204 -1.790 1.00 51.55 O ATOM 1381 CB ALA A 84 -19.716 -2.802 -2.102 1.00 43.40 C ATOM 0 H ALA A 84 -17.873 -3.194 -0.422 1.00 25.11 H new ATOM 0 HA ALA A 84 -18.136 -1.515 -2.791 1.00 33.53 H new ATOM 0 HB1 ALA A 84 -20.493 -2.315 -2.691 1.00 43.40 H new ATOM 0 HB2 ALA A 84 -19.333 -3.664 -2.649 1.00 43.40 H new ATOM 0 HB3 ALA A 84 -20.134 -3.132 -1.151 1.00 43.40 H new ATOM 1387 N THR A 85 -18.714 -0.315 0.078 1.00 42.23 N ATOM 1388 CA THR A 85 -19.152 0.859 0.830 1.00 52.23 C ATOM 1389 C THR A 85 -18.091 1.968 0.762 1.00 53.03 C ATOM 1390 O THR A 85 -18.371 3.067 0.272 1.00 62.14 O ATOM 1391 CB THR A 85 -19.455 0.499 2.310 1.00 63.55 C ATOM 1392 OG1 THR A 85 -20.030 -0.812 2.392 1.00 4.10 O ATOM 1393 CG2 THR A 85 -20.415 1.503 2.946 1.00 23.54 C ATOM 0 H THR A 85 -18.080 -0.927 0.591 1.00 42.23 H new ATOM 0 HA THR A 85 -20.073 1.222 0.374 1.00 52.23 H new ATOM 0 HB THR A 85 -18.510 0.528 2.853 1.00 63.55 H new ATOM 0 HG1 THR A 85 -20.216 -1.030 3.329 1.00 4.10 H new ATOM 0 HG21 THR A 85 -20.604 1.220 3.981 1.00 23.54 H new ATOM 0 HG22 THR A 85 -19.972 2.498 2.917 1.00 23.54 H new ATOM 0 HG23 THR A 85 -21.355 1.508 2.394 1.00 23.54 H new ATOM 1401 N GLY A 86 -16.876 1.668 1.257 1.00 73.04 N ATOM 1402 CA GLY A 86 -15.777 2.635 1.250 1.00 62.01 C ATOM 1403 C GLY A 86 -16.001 3.808 2.195 1.00 41.14 C ATOM 1404 O GLY A 86 -16.915 3.776 3.024 1.00 62.55 O ATOM 0 H GLY A 86 -16.637 0.764 1.665 1.00 73.04 H new ATOM 0 HA2 GLY A 86 -14.853 2.127 1.526 1.00 62.01 H new ATOM 0 HA3 GLY A 86 -15.642 3.014 0.237 1.00 62.01 H new ATOM 1408 N HIS A 87 -15.158 4.838 2.063 1.00 12.34 N ATOM 1409 CA HIS A 87 -15.257 6.040 2.891 1.00 52.22 C ATOM 1410 C HIS A 87 -16.089 7.114 2.169 1.00 53.50 C ATOM 1411 O HIS A 87 -15.807 7.424 1.008 1.00 4.31 O ATOM 1412 CB HIS A 87 -13.856 6.578 3.216 1.00 33.04 C ATOM 1413 CG HIS A 87 -13.795 7.407 4.466 1.00 43.33 C ATOM 1414 ND1 HIS A 87 -14.192 8.686 4.689 1.00 62.14 N flip ATOM 1415 CD2 HIS A 87 -13.282 6.955 5.661 1.00 34.33 C flip ATOM 1416 CE1 HIS A 87 -13.927 9.023 6.013 1.00 71.03 C flip ATOM 1417 NE2 HIS A 87 -13.382 7.950 6.554 1.00 2.31 N flip ATOM 0 H HIS A 87 -14.396 4.861 1.386 1.00 12.34 H new ATOM 0 HA HIS A 87 -15.755 5.783 3.826 1.00 52.22 H new ATOM 0 HB2 HIS A 87 -13.169 5.737 3.316 1.00 33.04 H new ATOM 0 HB3 HIS A 87 -13.505 7.178 2.377 1.00 33.04 H new ATOM 0 HD2 HIS A 87 -12.872 5.973 5.846 1.00 34.33 H new ATOM 0 HE1 HIS A 87 -14.126 9.967 6.497 1.00 71.03 H new ATOM 0 HE2 HIS A 87 -13.077 7.886 7.525 1.00 2.31 H new ATOM 1425 N PRO A 88 -17.127 7.708 2.838 1.00 43.33 N ATOM 1426 CA PRO A 88 -17.986 8.735 2.213 1.00 44.10 C ATOM 1427 C PRO A 88 -17.272 10.074 1.981 1.00 24.12 C ATOM 1428 O PRO A 88 -16.738 10.677 2.920 1.00 52.53 O ATOM 1429 CB PRO A 88 -19.140 8.897 3.214 1.00 3.31 C ATOM 1430 CG PRO A 88 -18.586 8.471 4.531 1.00 11.32 C ATOM 1431 CD PRO A 88 -17.545 7.424 4.237 1.00 31.53 C ATOM 0 HA PRO A 88 -18.305 8.430 1.216 1.00 44.10 H new ATOM 0 HB2 PRO A 88 -19.487 9.930 3.249 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -19.995 8.283 2.930 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -18.147 9.317 5.059 1.00 11.32 H new ATOM 0 HG3 PRO A 88 -19.371 8.069 5.171 1.00 11.32 H new ATOM 0 HD2 PRO A 88 -16.703 7.495 4.926 1.00 31.53 H new ATOM 0 HD3 PRO A 88 -17.953 6.418 4.334 1.00 31.53 H new ATOM 1439 N GLY A 89 -17.266 10.516 0.719 1.00 63.23 N ATOM 1440 CA GLY A 89 -16.634 11.778 0.359 1.00 34.40 C ATOM 1441 C GLY A 89 -15.287 11.606 -0.323 1.00 12.22 C ATOM 1442 O GLY A 89 -15.003 12.291 -1.310 1.00 23.13 O ATOM 0 H GLY A 89 -17.691 10.017 -0.063 1.00 63.23 H new ATOM 0 HA2 GLY A 89 -17.299 12.333 -0.302 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -16.503 12.380 1.258 1.00 34.40 H new ATOM 1446 N ILE A 90 -14.461 10.693 0.203 1.00 11.03 N ATOM 1447 CA ILE A 90 -13.123 10.445 -0.351 1.00 12.54 C ATOM 1448 C ILE A 90 -13.118 9.221 -1.277 1.00 61.23 C ATOM 1449 O ILE A 90 -12.656 9.308 -2.419 1.00 42.54 O ATOM 1450 CB ILE A 90 -12.051 10.256 0.767 1.00 64.12 C ATOM 1451 CG1 ILE A 90 -12.208 11.326 1.862 1.00 73.33 C ATOM 1452 CG2 ILE A 90 -10.637 10.314 0.174 1.00 3.31 C ATOM 1453 CD1 ILE A 90 -11.709 10.889 3.225 1.00 60.20 C ATOM 0 H ILE A 90 -14.695 10.114 1.010 1.00 11.03 H new ATOM 0 HA ILE A 90 -12.863 11.331 -0.930 1.00 12.54 H new ATOM 0 HB ILE A 90 -12.203 9.275 1.217 1.00 64.12 H new ATOM 0 HG12 ILE A 90 -11.668 12.223 1.559 1.00 73.33 H new ATOM 0 HG13 ILE A 90 -13.260 11.598 1.942 1.00 73.33 H new ATOM 0 HG21 ILE A 90 -9.903 10.180 0.969 1.00 3.31 H new ATOM 0 HG22 ILE A 90 -10.520 9.522 -0.565 1.00 3.31 H new ATOM 0 HG23 ILE A 90 -10.482 11.281 -0.304 1.00 3.31 H new ATOM 0 HD11 ILE A 90 -11.854 11.697 3.942 1.00 60.20 H new ATOM 0 HD12 ILE A 90 -12.265 10.010 3.551 1.00 60.20 H new ATOM 0 HD13 ILE A 90 -10.648 10.645 3.163 1.00 60.20 H new ATOM 1465 N ILE A 91 -13.633 8.091 -0.778 1.00 33.14 N ATOM 1466 CA ILE A 91 -13.659 6.846 -1.546 1.00 30.21 C ATOM 1467 C ILE A 91 -15.104 6.468 -1.940 1.00 51.24 C ATOM 1468 O ILE A 91 -15.846 5.919 -1.118 1.00 52.40 O ATOM 1469 CB ILE A 91 -12.991 5.662 -0.763 1.00 70.43 C ATOM 1470 CG1 ILE A 91 -11.658 6.083 -0.074 1.00 74.32 C ATOM 1471 CG2 ILE A 91 -12.769 4.445 -1.672 1.00 53.23 C ATOM 1472 CD1 ILE A 91 -10.574 6.653 -0.990 1.00 2.32 C ATOM 0 H ILE A 91 -14.037 8.016 0.156 1.00 33.14 H new ATOM 0 HA ILE A 91 -13.079 7.021 -2.452 1.00 30.21 H new ATOM 0 HB ILE A 91 -13.689 5.380 0.026 1.00 70.43 H new ATOM 0 HG12 ILE A 91 -11.887 6.827 0.689 1.00 74.32 H new ATOM 0 HG13 ILE A 91 -11.249 5.214 0.441 1.00 74.32 H new ATOM 0 HG21 ILE A 91 -12.305 3.643 -1.099 1.00 53.23 H new ATOM 0 HG22 ILE A 91 -13.727 4.104 -2.064 1.00 53.23 H new ATOM 0 HG23 ILE A 91 -12.117 4.723 -2.500 1.00 53.23 H new ATOM 0 HD11 ILE A 91 -9.695 6.909 -0.398 1.00 2.32 H new ATOM 0 HD12 ILE A 91 -10.303 5.909 -1.739 1.00 2.32 H new ATOM 0 HD13 ILE A 91 -10.950 7.547 -1.487 1.00 2.32 H new ATOM 1484 N PRO A 92 -15.530 6.764 -3.206 1.00 65.32 N ATOM 1485 CA PRO A 92 -16.882 6.421 -3.687 1.00 52.13 C ATOM 1486 C PRO A 92 -17.060 4.904 -3.933 1.00 22.44 C ATOM 1487 O PRO A 92 -16.066 4.174 -3.980 1.00 33.23 O ATOM 1488 CB PRO A 92 -17.004 7.207 -5.000 1.00 2.33 C ATOM 1489 CG PRO A 92 -15.608 7.391 -5.477 1.00 52.44 C ATOM 1490 CD PRO A 92 -14.749 7.484 -4.244 1.00 13.45 C ATOM 0 HA PRO A 92 -17.650 6.672 -2.955 1.00 52.13 H new ATOM 0 HB2 PRO A 92 -17.601 6.662 -5.731 1.00 2.33 H new ATOM 0 HB3 PRO A 92 -17.495 8.167 -4.840 1.00 2.33 H new ATOM 0 HG2 PRO A 92 -15.298 6.555 -6.105 1.00 52.44 H new ATOM 0 HG3 PRO A 92 -15.519 8.294 -6.082 1.00 52.44 H new ATOM 0 HD2 PRO A 92 -13.774 7.023 -4.401 1.00 13.45 H new ATOM 0 HD3 PRO A 92 -14.569 8.521 -3.960 1.00 13.45 H new ATOM 1498 N PRO A 93 -18.326 4.406 -4.094 1.00 53.53 N ATOM 1499 CA PRO A 93 -18.590 2.972 -4.326 1.00 52.41 C ATOM 1500 C PRO A 93 -18.233 2.518 -5.746 1.00 70.11 C ATOM 1501 O PRO A 93 -18.439 3.258 -6.712 1.00 21.32 O ATOM 1502 CB PRO A 93 -20.098 2.845 -4.082 1.00 64.31 C ATOM 1503 CG PRO A 93 -20.661 4.191 -4.395 1.00 30.24 C ATOM 1504 CD PRO A 93 -19.587 5.193 -4.054 1.00 73.21 C ATOM 0 HA PRO A 93 -17.982 2.342 -3.677 1.00 52.41 H new ATOM 0 HB2 PRO A 93 -20.536 2.077 -4.719 1.00 64.31 H new ATOM 0 HB3 PRO A 93 -20.307 2.561 -3.051 1.00 64.31 H new ATOM 0 HG2 PRO A 93 -20.937 4.261 -5.447 1.00 30.24 H new ATOM 0 HG3 PRO A 93 -21.565 4.378 -3.815 1.00 30.24 H new ATOM 0 HD2 PRO A 93 -19.567 6.014 -4.771 1.00 73.21 H new ATOM 0 HD3 PRO A 93 -19.751 5.633 -3.070 1.00 73.21 H new ATOM 1512 N HIS A 94 -17.695 1.286 -5.855 1.00 21.21 N ATOM 1513 CA HIS A 94 -17.290 0.676 -7.146 1.00 45.34 C ATOM 1514 C HIS A 94 -16.268 1.559 -7.894 1.00 60.20 C ATOM 1515 O HIS A 94 -16.398 1.814 -9.099 1.00 61.45 O ATOM 1516 CB HIS A 94 -18.522 0.382 -8.034 1.00 53.42 C ATOM 1517 CG HIS A 94 -19.533 -0.518 -7.387 1.00 13.53 C ATOM 1518 ND1 HIS A 94 -19.428 -1.890 -7.351 1.00 25.22 N ATOM 1519 CD2 HIS A 94 -20.681 -0.212 -6.731 1.00 61.31 C ATOM 1520 CE1 HIS A 94 -20.492 -2.366 -6.689 1.00 14.10 C ATOM 1521 NE2 HIS A 94 -21.283 -1.388 -6.291 1.00 70.34 N ATOM 0 H HIS A 94 -17.527 0.682 -5.051 1.00 21.21 H new ATOM 0 HA HIS A 94 -16.803 -0.272 -6.920 1.00 45.34 H new ATOM 0 HB2 HIS A 94 -19.003 1.324 -8.296 1.00 53.42 H new ATOM 0 HB3 HIS A 94 -18.187 -0.074 -8.965 1.00 53.42 H new ATOM 0 HD2 HIS A 94 -21.066 0.785 -6.575 1.00 61.31 H new ATOM 0 HE1 HIS A 94 -20.678 -3.414 -6.505 1.00 14.10 H new ATOM 0 HE2 HIS A 94 -22.155 -1.475 -5.769 1.00 70.34 H new ATOM 1529 N ALA A 95 -15.244 2.008 -7.157 1.00 4.51 N ATOM 1530 CA ALA A 95 -14.200 2.868 -7.707 1.00 71.05 C ATOM 1531 C ALA A 95 -12.812 2.301 -7.442 1.00 4.34 C ATOM 1532 O ALA A 95 -12.513 1.838 -6.338 1.00 71.42 O ATOM 1533 CB ALA A 95 -14.323 4.272 -7.129 1.00 13.05 C ATOM 0 H ALA A 95 -15.120 1.785 -6.169 1.00 4.51 H new ATOM 0 HA ALA A 95 -14.335 2.914 -8.788 1.00 71.05 H new ATOM 0 HB1 ALA A 95 -13.540 4.907 -7.545 1.00 13.05 H new ATOM 0 HB2 ALA A 95 -15.299 4.686 -7.383 1.00 13.05 H new ATOM 0 HB3 ALA A 95 -14.218 4.230 -6.045 1.00 13.05 H new ATOM 1539 N THR A 96 -11.978 2.353 -8.483 1.00 34.22 N ATOM 1540 CA THR A 96 -10.598 1.862 -8.435 1.00 13.14 C ATOM 1541 C THR A 96 -9.660 2.923 -7.842 1.00 22.22 C ATOM 1542 O THR A 96 -9.847 4.123 -8.065 1.00 73.11 O ATOM 1543 CB THR A 96 -10.121 1.462 -9.854 1.00 32.40 C ATOM 1544 OG1 THR A 96 -11.136 0.689 -10.508 1.00 74.25 O ATOM 1545 CG2 THR A 96 -8.827 0.649 -9.819 1.00 64.35 C ATOM 0 H THR A 96 -12.243 2.739 -9.389 1.00 34.22 H new ATOM 0 HA THR A 96 -10.572 0.983 -7.791 1.00 13.14 H new ATOM 0 HB THR A 96 -9.929 2.385 -10.402 1.00 32.40 H new ATOM 0 HG1 THR A 96 -11.434 1.157 -11.316 1.00 74.25 H new ATOM 0 HG21 THR A 96 -8.531 0.391 -10.836 1.00 64.35 H new ATOM 0 HG22 THR A 96 -8.039 1.239 -9.351 1.00 64.35 H new ATOM 0 HG23 THR A 96 -8.986 -0.264 -9.245 1.00 64.35 H new ATOM 1553 N LEU A 97 -8.659 2.456 -7.090 1.00 71.52 N ATOM 1554 CA LEU A 97 -7.689 3.337 -6.440 1.00 52.44 C ATOM 1555 C LEU A 97 -6.253 2.929 -6.781 1.00 25.12 C ATOM 1556 O LEU A 97 -5.989 1.768 -7.108 1.00 65.13 O ATOM 1557 CB LEU A 97 -7.889 3.294 -4.919 1.00 65.44 C ATOM 1558 CG LEU A 97 -9.297 3.649 -4.418 1.00 4.14 C ATOM 1559 CD1 LEU A 97 -9.613 2.874 -3.155 1.00 14.14 C ATOM 1560 CD2 LEU A 97 -9.432 5.144 -4.176 1.00 45.25 C ATOM 0 H LEU A 97 -8.500 1.463 -6.916 1.00 71.52 H new ATOM 0 HA LEU A 97 -7.852 4.351 -6.806 1.00 52.44 H new ATOM 0 HB2 LEU A 97 -7.641 2.293 -4.567 1.00 65.44 H new ATOM 0 HB3 LEU A 97 -7.177 3.979 -4.459 1.00 65.44 H new ATOM 0 HG LEU A 97 -10.014 3.370 -5.190 1.00 4.14 H new ATOM 0 HD11 LEU A 97 -10.614 3.134 -2.809 1.00 14.14 H new ATOM 0 HD12 LEU A 97 -9.567 1.805 -3.363 1.00 14.14 H new ATOM 0 HD13 LEU A 97 -8.886 3.125 -2.383 1.00 14.14 H new ATOM 0 HD21 LEU A 97 -10.439 5.366 -3.822 1.00 45.25 H new ATOM 0 HD22 LEU A 97 -8.706 5.458 -3.426 1.00 45.25 H new ATOM 0 HD23 LEU A 97 -9.248 5.681 -5.106 1.00 45.25 H new ATOM 1572 N VAL A 98 -5.336 3.901 -6.699 1.00 33.31 N ATOM 1573 CA VAL A 98 -3.913 3.674 -6.982 1.00 60.04 C ATOM 1574 C VAL A 98 -3.082 4.048 -5.750 1.00 55.00 C ATOM 1575 O VAL A 98 -3.294 5.104 -5.152 1.00 63.34 O ATOM 1576 CB VAL A 98 -3.432 4.496 -8.223 1.00 0.44 C ATOM 1577 CG1 VAL A 98 -1.965 4.224 -8.558 1.00 51.44 C ATOM 1578 CG2 VAL A 98 -4.301 4.207 -9.444 1.00 72.32 C ATOM 0 H VAL A 98 -5.557 4.861 -6.436 1.00 33.31 H new ATOM 0 HA VAL A 98 -3.777 2.618 -7.214 1.00 60.04 H new ATOM 0 HB VAL A 98 -3.529 5.549 -7.957 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -1.674 4.816 -9.426 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -1.341 4.497 -7.707 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -1.833 3.165 -8.780 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -3.944 4.792 -10.292 1.00 72.32 H new ATOM 0 HG22 VAL A 98 -4.246 3.146 -9.687 1.00 72.32 H new ATOM 0 HG23 VAL A 98 -5.335 4.477 -9.227 1.00 72.32 H new ATOM 1588 N PHE A 99 -2.146 3.169 -5.379 1.00 53.41 N ATOM 1589 CA PHE A 99 -1.277 3.395 -4.223 1.00 43.43 C ATOM 1590 C PHE A 99 0.172 3.066 -4.561 1.00 54.24 C ATOM 1591 O PHE A 99 0.454 2.019 -5.152 1.00 52.42 O ATOM 1592 CB PHE A 99 -1.723 2.538 -3.035 1.00 34.44 C ATOM 1593 CG PHE A 99 -3.044 2.934 -2.441 1.00 35.13 C ATOM 1594 CD1 PHE A 99 -3.111 3.847 -1.402 1.00 2.50 C ATOM 1595 CD2 PHE A 99 -4.217 2.377 -2.916 1.00 32.20 C ATOM 1596 CE1 PHE A 99 -4.329 4.196 -0.848 1.00 43.45 C ATOM 1597 CE2 PHE A 99 -5.436 2.722 -2.370 1.00 71.30 C ATOM 1598 CZ PHE A 99 -5.493 3.631 -1.335 1.00 42.42 C ATOM 0 H PHE A 99 -1.971 2.290 -5.866 1.00 53.41 H new ATOM 0 HA PHE A 99 -1.352 4.449 -3.956 1.00 43.43 H new ATOM 0 HB2 PHE A 99 -1.781 1.498 -3.355 1.00 34.44 H new ATOM 0 HB3 PHE A 99 -0.960 2.591 -2.259 1.00 34.44 H new ATOM 0 HD1 PHE A 99 -2.203 4.291 -1.021 1.00 2.50 H new ATOM 0 HD2 PHE A 99 -4.178 1.663 -3.725 1.00 32.20 H new ATOM 0 HE1 PHE A 99 -4.371 4.908 -0.037 1.00 43.45 H new ATOM 0 HE2 PHE A 99 -6.344 2.281 -2.753 1.00 71.30 H new ATOM 0 HZ PHE A 99 -6.446 3.901 -0.905 1.00 42.42 H new ATOM 1608 N ASP A 100 1.082 3.967 -4.184 1.00 61.54 N ATOM 1609 CA ASP A 100 2.510 3.779 -4.426 1.00 40.34 C ATOM 1610 C ASP A 100 3.264 3.682 -3.094 1.00 51.50 C ATOM 1611 O ASP A 100 3.496 4.697 -2.424 1.00 33.42 O ATOM 1612 CB ASP A 100 3.059 4.929 -5.290 1.00 33.13 C ATOM 1613 CG ASP A 100 4.381 4.591 -5.960 1.00 31.24 C ATOM 1614 OD1 ASP A 100 5.418 4.598 -5.263 1.00 54.54 O ATOM 1615 OD2 ASP A 100 4.379 4.322 -7.179 1.00 62.02 O ATOM 0 H ASP A 100 0.851 4.839 -3.707 1.00 61.54 H new ATOM 0 HA ASP A 100 2.659 2.846 -4.969 1.00 40.34 H new ATOM 0 HB2 ASP A 100 2.325 5.184 -6.055 1.00 33.13 H new ATOM 0 HB3 ASP A 100 3.190 5.814 -4.667 1.00 33.13 H new ATOM 1620 N VAL A 101 3.626 2.451 -2.710 1.00 2.04 N ATOM 1621 CA VAL A 101 4.354 2.217 -1.459 1.00 60.42 C ATOM 1622 C VAL A 101 5.827 1.922 -1.727 1.00 12.12 C ATOM 1623 O VAL A 101 6.187 1.425 -2.799 1.00 50.32 O ATOM 1624 CB VAL A 101 3.732 1.075 -0.588 1.00 11.15 C ATOM 1625 CG1 VAL A 101 2.277 1.376 -0.242 1.00 31.41 C ATOM 1626 CG2 VAL A 101 3.838 -0.298 -1.256 1.00 41.23 C ATOM 0 H VAL A 101 3.427 1.606 -3.246 1.00 2.04 H new ATOM 0 HA VAL A 101 4.268 3.141 -0.887 1.00 60.42 H new ATOM 0 HB VAL A 101 4.316 1.039 0.331 1.00 11.15 H new ATOM 0 HG11 VAL A 101 1.872 0.565 0.363 1.00 31.41 H new ATOM 0 HG12 VAL A 101 2.222 2.310 0.318 1.00 31.41 H new ATOM 0 HG13 VAL A 101 1.696 1.469 -1.160 1.00 31.41 H new ATOM 0 HG21 VAL A 101 3.391 -1.053 -0.609 1.00 41.23 H new ATOM 0 HG22 VAL A 101 3.311 -0.280 -2.210 1.00 41.23 H new ATOM 0 HG23 VAL A 101 4.887 -0.540 -1.425 1.00 41.23 H new ATOM 1636 N GLU A 102 6.662 2.235 -0.739 1.00 33.11 N ATOM 1637 CA GLU A 102 8.103 2.002 -0.834 1.00 1.22 C ATOM 1638 C GLU A 102 8.608 1.291 0.419 1.00 51.22 C ATOM 1639 O GLU A 102 8.390 1.762 1.538 1.00 12.21 O ATOM 1640 CB GLU A 102 8.876 3.319 -1.073 1.00 41.11 C ATOM 1641 CG GLU A 102 8.560 4.451 -0.096 1.00 34.12 C ATOM 1642 CD GLU A 102 9.362 5.706 -0.379 1.00 72.23 C ATOM 1643 OE1 GLU A 102 8.873 6.563 -1.145 1.00 62.13 O ATOM 1644 OE2 GLU A 102 10.479 5.832 0.165 1.00 41.33 O ATOM 0 H GLU A 102 6.364 2.653 0.142 1.00 33.11 H new ATOM 0 HA GLU A 102 8.285 1.359 -1.695 1.00 1.22 H new ATOM 0 HB2 GLU A 102 9.944 3.107 -1.024 1.00 41.11 H new ATOM 0 HB3 GLU A 102 8.665 3.666 -2.085 1.00 41.11 H new ATOM 0 HG2 GLU A 102 7.497 4.684 -0.148 1.00 34.12 H new ATOM 0 HG3 GLU A 102 8.764 4.116 0.921 1.00 34.12 H new ATOM 1651 N LEU A 103 9.298 0.164 0.211 1.00 24.24 N ATOM 1652 CA LEU A 103 9.848 -0.646 1.304 1.00 4.34 C ATOM 1653 C LEU A 103 11.065 0.057 1.930 1.00 3.51 C ATOM 1654 O LEU A 103 12.159 0.061 1.353 1.00 64.00 O ATOM 1655 CB LEU A 103 10.255 -2.031 0.748 1.00 3.14 C ATOM 1656 CG LEU A 103 9.779 -3.306 1.496 1.00 43.24 C ATOM 1657 CD1 LEU A 103 10.206 -3.325 2.960 1.00 32.51 C ATOM 1658 CD2 LEU A 103 8.271 -3.494 1.375 1.00 21.32 C ATOM 0 H LEU A 103 9.491 -0.212 -0.718 1.00 24.24 H new ATOM 0 HA LEU A 103 9.093 -0.772 2.080 1.00 4.34 H new ATOM 0 HB2 LEU A 103 9.891 -2.095 -0.278 1.00 3.14 H new ATOM 0 HB3 LEU A 103 11.344 -2.062 0.703 1.00 3.14 H new ATOM 0 HG LEU A 103 10.273 -4.146 1.007 1.00 43.24 H new ATOM 0 HD11 LEU A 103 9.846 -4.239 3.432 1.00 32.51 H new ATOM 0 HD12 LEU A 103 11.294 -3.289 3.022 1.00 32.51 H new ATOM 0 HD13 LEU A 103 9.784 -2.461 3.473 1.00 32.51 H new ATOM 0 HD21 LEU A 103 7.973 -4.396 1.910 1.00 21.32 H new ATOM 0 HD22 LEU A 103 7.761 -2.632 1.805 1.00 21.32 H new ATOM 0 HD23 LEU A 103 7.999 -3.589 0.324 1.00 21.32 H new ATOM 1670 N LEU A 104 10.854 0.678 3.099 1.00 4.14 N ATOM 1671 CA LEU A 104 11.915 1.405 3.796 1.00 44.13 C ATOM 1672 C LEU A 104 12.665 0.501 4.780 1.00 0.54 C ATOM 1673 O LEU A 104 13.884 0.340 4.670 1.00 14.41 O ATOM 1674 CB LEU A 104 11.323 2.629 4.523 1.00 71.51 C ATOM 1675 CG LEU A 104 10.430 3.541 3.661 1.00 54.14 C ATOM 1676 CD1 LEU A 104 9.457 4.321 4.529 1.00 73.51 C ATOM 1677 CD2 LEU A 104 11.274 4.493 2.825 1.00 62.23 C ATOM 0 H LEU A 104 9.954 0.689 3.580 1.00 4.14 H new ATOM 0 HA LEU A 104 12.637 1.746 3.054 1.00 44.13 H new ATOM 0 HB2 LEU A 104 10.740 2.278 5.374 1.00 71.51 H new ATOM 0 HB3 LEU A 104 12.144 3.225 4.923 1.00 71.51 H new ATOM 0 HG LEU A 104 9.857 2.906 2.985 1.00 54.14 H new ATOM 0 HD11 LEU A 104 8.837 4.958 3.898 1.00 73.51 H new ATOM 0 HD12 LEU A 104 8.822 3.626 5.079 1.00 73.51 H new ATOM 0 HD13 LEU A 104 10.013 4.939 5.234 1.00 73.51 H new ATOM 0 HD21 LEU A 104 10.621 5.127 2.225 1.00 62.23 H new ATOM 0 HD22 LEU A 104 11.879 5.116 3.483 1.00 62.23 H new ATOM 0 HD23 LEU A 104 11.927 3.919 2.167 1.00 62.23 H new HETATM 1689 N MLY A 105 11.928 -0.086 5.740 1.00 1.45 N HETATM 1690 CA MLY A 105 12.507 -0.976 6.760 1.00 43.20 C HETATM 1691 CB MLY A 105 13.404 -0.186 7.748 1.00 74.32 C HETATM 1692 CG MLY A 105 12.701 0.943 8.514 1.00 22.12 C HETATM 1693 CD MLY A 105 13.649 2.088 8.869 1.00 71.52 C HETATM 1694 CE MLY A 105 14.124 1.997 10.314 1.00 2.14 C HETATM 1695 NZ MLY A 105 15.029 3.120 10.614 1.00 24.33 N HETATM 1696 CH1 MLY A 105 16.351 2.600 10.998 1.00 41.55 C HETATM 1697 CH2 MLY A 105 14.478 3.916 11.721 1.00 22.51 C HETATM 1698 C MLY A 105 11.403 -1.744 7.505 1.00 74.02 C HETATM 1699 O MLY A 105 10.218 -1.415 7.385 1.00 23.23 O HETATM 0 HH23 MLY A 105 13.500 4.305 11.438 1.00 22.51 H new HETATM 0 HH22 MLY A 105 14.376 3.287 12.606 1.00 22.51 H new HETATM 0 HH21 MLY A 105 15.149 4.746 11.941 1.00 22.51 H new HETATM 0 HH13 MLY A 105 16.251 1.970 11.882 1.00 41.55 H new HETATM 0 HH12 MLY A 105 16.763 2.012 10.178 1.00 41.55 H new HETATM 0 HH11 MLY A 105 17.019 3.432 11.220 1.00 41.55 H new HETATM 0 HG3 MLY A 105 11.879 1.330 7.911 1.00 22.12 H new HETATM 0 HG2 MLY A 105 12.264 0.541 9.428 1.00 22.12 H new HETATM 0 HE3 MLY A 105 13.269 2.017 10.989 1.00 2.14 H new HETATM 0 HE2 MLY A 105 14.638 1.050 10.478 1.00 2.14 H new HETATM 0 HD3 MLY A 105 14.510 2.069 8.201 1.00 71.52 H new HETATM 0 HD2 MLY A 105 13.144 3.041 8.711 1.00 71.52 H new HETATM 0 HB3 MLY A 105 13.824 -0.886 8.470 1.00 74.32 H new HETATM 0 HB2 MLY A 105 14.240 0.240 7.193 1.00 74.32 H new HETATM 0 HA MLY A 105 13.139 -1.704 6.252 1.00 43.20 H new ATOM 1716 N LEU A 106 11.810 -2.762 8.271 1.00 51.44 N ATOM 1717 CA LEU A 106 10.872 -3.587 9.040 1.00 50.34 C ATOM 1718 C LEU A 106 11.176 -3.504 10.533 1.00 15.14 C ATOM 1719 O LEU A 106 12.337 -3.355 10.926 1.00 24.35 O ATOM 1720 CB LEU A 106 10.934 -5.055 8.577 1.00 64.41 C ATOM 1721 CG LEU A 106 10.835 -5.294 7.059 1.00 43.31 C ATOM 1722 CD1 LEU A 106 11.392 -6.663 6.702 1.00 23.33 C ATOM 1723 CD2 LEU A 106 9.396 -5.170 6.572 1.00 3.23 C ATOM 0 H LEU A 106 12.787 -3.035 8.375 1.00 51.44 H new ATOM 0 HA LEU A 106 9.867 -3.203 8.864 1.00 50.34 H new ATOM 0 HB2 LEU A 106 11.870 -5.487 8.931 1.00 64.41 H new ATOM 0 HB3 LEU A 106 10.126 -5.602 9.063 1.00 64.41 H new ATOM 0 HG LEU A 106 11.428 -4.527 6.561 1.00 43.31 H new ATOM 0 HD11 LEU A 106 11.315 -6.818 5.626 1.00 23.33 H new ATOM 0 HD12 LEU A 106 12.438 -6.720 7.003 1.00 23.33 H new ATOM 0 HD13 LEU A 106 10.823 -7.434 7.221 1.00 23.33 H new ATOM 0 HD21 LEU A 106 9.360 -5.344 5.497 1.00 3.23 H new ATOM 0 HD22 LEU A 106 8.775 -5.908 7.080 1.00 3.23 H new ATOM 0 HD23 LEU A 106 9.023 -4.169 6.790 1.00 3.23 H new ATOM 1735 N GLU A 107 10.126 -3.602 11.358 1.00 12.24 N ATOM 1736 CA GLU A 107 10.275 -3.540 12.815 1.00 25.05 C ATOM 1737 C GLU A 107 9.648 -4.762 13.476 1.00 14.04 C ATOM 1738 O GLU A 107 10.319 -5.767 13.710 1.00 15.01 O ATOM 1739 CB GLU A 107 9.639 -2.262 13.378 1.00 65.53 C ATOM 1740 CG GLU A 107 10.338 -0.978 12.958 1.00 41.44 C ATOM 1741 CD GLU A 107 9.810 0.242 13.691 1.00 62.30 C ATOM 1742 OE1 GLU A 107 10.434 0.647 14.694 1.00 0.45 O ATOM 1743 OE2 GLU A 107 8.772 0.791 13.262 1.00 25.40 O ATOM 0 H GLU A 107 9.165 -3.725 11.040 1.00 12.24 H new ATOM 0 HA GLU A 107 11.342 -3.527 13.037 1.00 25.05 H new ATOM 0 HB2 GLU A 107 8.598 -2.217 13.058 1.00 65.53 H new ATOM 0 HB3 GLU A 107 9.636 -2.321 14.466 1.00 65.53 H new ATOM 0 HG2 GLU A 107 11.408 -1.074 13.144 1.00 41.44 H new ATOM 0 HG3 GLU A 107 10.212 -0.835 11.885 1.00 41.44 H new TER 1750 GLU A 107