USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 906 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 SER OG : rot 142:sc= 1.1 USER MOD Set 1.2: A 41 TYR OH : rot 150:sc= 0.638 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.25 X(o=-1.2,f=-0.81) USER MOD Single : A 18 ASN : amide:sc= -3.34 K(o=-3.3,f=-4.9!) USER MOD Single : A 20 SER OG : rot -51:sc= 1.03 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 50:sc= 0.184 USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 0.349 (180deg=0.0594) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -48:sc= 1.11 USER MOD Single : A 37 SER OG : rot -22:sc= 0.414 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00428) USER MOD Single : A 49 LYS NZ :NH3+ -138:sc= -0.117 (180deg=-0.762) USER MOD Single : A 50 LYS NZ :NH3+ -123:sc=-0.00121 (180deg=-0.624) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.704 K(o=-0.7,f=-0.13) USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0406) USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0349) USER MOD Single : A 68 MET CE :methyl -115:sc= -0.524 (180deg=-4.45!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= -0.0829 (180deg=-0.11) USER MOD Single : A 72 HIS : no HD1:sc= -3.36! K(o=-3.4!,f=-1.5) USER MOD Single : A 78 ASN : amide:sc= -4.43! C(o=-4.4!,f=-18!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0482 USER MOD Single : A 81 GLN : amide:sc= -3.35! C(o=-3.3!,f=-3.2!) USER MOD Single : A 83 ASN : amide:sc= -0.96 K(o=-0.96,f=-0.34) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.52) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.315 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.24) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 76:sc= 0.967 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.010 21.181 -7.342 1.00 0.00 N ATOM 2 CA GLY A 1 24.755 21.398 -6.647 1.00 0.00 C ATOM 3 C GLY A 1 24.201 20.125 -6.039 1.00 0.00 C ATOM 4 O GLY A 1 23.412 19.421 -6.668 1.00 0.00 O ATOM 0 H1 GLY A 1 26.347 22.081 -7.739 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.717 20.811 -6.675 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.867 20.495 -8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.902 22.138 -5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.025 21.812 -7.342 1.00 0.00 H new ATOM 8 N SER A 2 24.617 19.828 -4.812 1.00 0.00 N ATOM 9 CA SER A 2 24.161 18.628 -4.120 1.00 0.00 C ATOM 10 C SER A 2 22.642 18.623 -3.984 1.00 0.00 C ATOM 11 O SER A 2 22.083 19.292 -3.116 1.00 0.00 O ATOM 12 CB SER A 2 24.809 18.534 -2.737 1.00 0.00 C ATOM 13 OG SER A 2 26.189 18.230 -2.840 1.00 0.00 O ATOM 0 H SER A 2 25.269 20.402 -4.277 1.00 0.00 H new ATOM 0 HA SER A 2 24.458 17.762 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.680 19.477 -2.207 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.307 17.766 -2.148 1.00 0.00 H new ATOM 0 HG SER A 2 26.580 18.177 -1.943 1.00 0.00 H new ATOM 19 N SER A 3 21.979 17.862 -4.850 1.00 0.00 N ATOM 20 CA SER A 3 20.524 17.771 -4.830 1.00 0.00 C ATOM 21 C SER A 3 20.052 16.847 -3.712 1.00 0.00 C ATOM 22 O SER A 3 20.530 15.720 -3.580 1.00 0.00 O ATOM 23 CB SER A 3 20.005 17.266 -6.178 1.00 0.00 C ATOM 24 OG SER A 3 20.117 18.267 -7.175 1.00 0.00 O ATOM 0 H SER A 3 22.427 17.300 -5.574 1.00 0.00 H new ATOM 0 HA SER A 3 20.125 18.768 -4.645 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.568 16.383 -6.480 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.963 16.962 -6.079 1.00 0.00 H new ATOM 0 HG SER A 3 19.780 17.919 -8.027 1.00 0.00 H new ATOM 30 N GLY A 4 19.111 17.332 -2.909 1.00 0.00 N ATOM 31 CA GLY A 4 18.589 16.538 -1.812 1.00 0.00 C ATOM 32 C GLY A 4 17.299 15.828 -2.172 1.00 0.00 C ATOM 33 O GLY A 4 16.993 15.643 -3.350 1.00 0.00 O ATOM 0 H GLY A 4 18.700 18.261 -2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.335 15.801 -1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.417 17.183 -0.951 1.00 0.00 H new ATOM 37 N SER A 5 16.542 15.427 -1.156 1.00 0.00 N ATOM 38 CA SER A 5 15.281 14.728 -1.371 1.00 0.00 C ATOM 39 C SER A 5 14.275 15.074 -0.278 1.00 0.00 C ATOM 40 O SER A 5 14.652 15.414 0.843 1.00 0.00 O ATOM 41 CB SER A 5 15.511 13.216 -1.410 1.00 0.00 C ATOM 42 OG SER A 5 16.373 12.859 -2.476 1.00 0.00 O ATOM 0 H SER A 5 16.780 15.574 -0.175 1.00 0.00 H new ATOM 0 HA SER A 5 14.874 15.050 -2.330 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.941 12.886 -0.464 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.556 12.702 -1.523 1.00 0.00 H new ATOM 0 HG SER A 5 16.505 11.888 -2.478 1.00 0.00 H new ATOM 48 N SER A 6 12.991 14.983 -0.613 1.00 0.00 N ATOM 49 CA SER A 6 11.930 15.289 0.339 1.00 0.00 C ATOM 50 C SER A 6 11.829 14.206 1.408 1.00 0.00 C ATOM 51 O SER A 6 11.876 13.014 1.106 1.00 0.00 O ATOM 52 CB SER A 6 10.591 15.431 -0.387 1.00 0.00 C ATOM 53 OG SER A 6 10.459 16.717 -0.968 1.00 0.00 O ATOM 0 H SER A 6 12.661 14.700 -1.536 1.00 0.00 H new ATOM 0 HA SER A 6 12.174 16.233 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.511 14.669 -1.162 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.774 15.260 0.314 1.00 0.00 H new ATOM 0 HG SER A 6 9.596 16.781 -1.427 1.00 0.00 H new ATOM 59 N GLY A 7 11.690 14.630 2.661 1.00 0.00 N ATOM 60 CA GLY A 7 11.586 13.684 3.757 1.00 0.00 C ATOM 61 C GLY A 7 10.335 12.832 3.669 1.00 0.00 C ATOM 62 O GLY A 7 9.848 12.541 2.577 1.00 0.00 O ATOM 0 H GLY A 7 11.648 15.611 2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.463 13.037 3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.587 14.226 4.703 1.00 0.00 H new ATOM 66 N VAL A 8 9.814 12.429 4.824 1.00 0.00 N ATOM 67 CA VAL A 8 8.612 11.604 4.874 1.00 0.00 C ATOM 68 C VAL A 8 7.398 12.371 4.362 1.00 0.00 C ATOM 69 O VAL A 8 7.196 13.535 4.707 1.00 0.00 O ATOM 70 CB VAL A 8 8.329 11.111 6.305 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.902 12.269 7.194 1.00 0.00 C ATOM 72 CG2 VAL A 8 7.270 10.019 6.292 1.00 0.00 C ATOM 0 H VAL A 8 10.205 12.660 5.737 1.00 0.00 H new ATOM 0 HA VAL A 8 8.792 10.743 4.231 1.00 0.00 H new ATOM 0 HB VAL A 8 9.247 10.690 6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.706 11.901 8.201 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.697 13.014 7.228 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.996 12.722 6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.082 9.682 7.311 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.348 10.412 5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.620 9.180 5.691 1.00 0.00 H new ATOM 82 N ILE A 9 6.592 11.709 3.539 1.00 0.00 N ATOM 83 CA ILE A 9 5.395 12.328 2.981 1.00 0.00 C ATOM 84 C ILE A 9 4.143 11.866 3.718 1.00 0.00 C ATOM 85 O ILE A 9 3.220 12.648 3.946 1.00 0.00 O ATOM 86 CB ILE A 9 5.243 12.009 1.482 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.474 12.487 0.709 1.00 0.00 C ATOM 88 CG2 ILE A 9 3.981 12.653 0.929 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.503 12.021 -0.730 1.00 0.00 C ATOM 0 H ILE A 9 6.745 10.745 3.244 1.00 0.00 H new ATOM 0 HA ILE A 9 5.509 13.405 3.105 1.00 0.00 H new ATOM 0 HB ILE A 9 5.159 10.929 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.506 13.576 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.371 12.132 1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.887 12.419 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.112 12.269 1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.038 13.734 1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.403 12.397 -1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.503 10.931 -0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.624 12.398 -1.252 1.00 0.00 H new ATOM 101 N ARG A 10 4.118 10.589 4.088 1.00 0.00 N ATOM 102 CA ARG A 10 2.979 10.022 4.800 1.00 0.00 C ATOM 103 C ARG A 10 3.359 8.707 5.474 1.00 0.00 C ATOM 104 O ARG A 10 4.153 7.932 4.941 1.00 0.00 O ATOM 105 CB ARG A 10 1.811 9.796 3.838 1.00 0.00 C ATOM 106 CG ARG A 10 0.469 9.647 4.535 1.00 0.00 C ATOM 107 CD ARG A 10 -0.134 11.001 4.877 1.00 0.00 C ATOM 108 NE ARG A 10 0.281 11.467 6.198 1.00 0.00 N ATOM 109 CZ ARG A 10 0.026 12.685 6.661 1.00 0.00 C ATOM 110 NH1 ARG A 10 -0.640 13.556 5.915 1.00 0.00 N ATOM 111 NH2 ARG A 10 0.436 13.035 7.874 1.00 0.00 N ATOM 0 H ARG A 10 4.873 9.928 3.906 1.00 0.00 H new ATOM 0 HA ARG A 10 2.675 10.730 5.571 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.758 10.632 3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.006 8.901 3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.216 9.094 3.893 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.594 9.062 5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.164 11.731 4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.221 10.933 4.842 1.00 0.00 H new ATOM 0 HE ARG A 10 0.795 10.821 6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.958 13.291 4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.834 14.491 6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.948 12.368 8.452 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.239 13.971 8.228 1.00 0.00 H new ATOM 125 N ARG A 11 2.787 8.464 6.649 1.00 0.00 N ATOM 126 CA ARG A 11 3.068 7.244 7.397 1.00 0.00 C ATOM 127 C ARG A 11 1.989 6.990 8.446 1.00 0.00 C ATOM 128 O ARG A 11 1.448 7.925 9.034 1.00 0.00 O ATOM 129 CB ARG A 11 4.438 7.337 8.071 1.00 0.00 C ATOM 130 CG ARG A 11 4.779 8.732 8.568 1.00 0.00 C ATOM 131 CD ARG A 11 5.856 8.694 9.640 1.00 0.00 C ATOM 132 NE ARG A 11 6.510 9.989 9.806 1.00 0.00 N ATOM 133 CZ ARG A 11 7.341 10.270 10.803 1.00 0.00 C ATOM 134 NH1 ARG A 11 7.619 9.352 11.719 1.00 0.00 N ATOM 135 NH2 ARG A 11 7.898 11.472 10.886 1.00 0.00 N ATOM 0 H ARG A 11 2.127 9.095 7.103 1.00 0.00 H new ATOM 0 HA ARG A 11 3.073 6.410 6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.468 6.644 8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.203 7.015 7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.118 9.344 7.732 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.883 9.206 8.968 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.413 8.388 10.588 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.601 7.943 9.379 1.00 0.00 H new ATOM 0 HE ARG A 11 6.318 10.718 9.119 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.194 8.427 11.659 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.258 9.571 12.483 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.688 12.181 10.184 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.536 11.687 11.652 1.00 0.00 H new ATOM 149 N GLY A 12 1.681 5.717 8.674 1.00 0.00 N ATOM 150 CA GLY A 12 0.668 5.362 9.651 1.00 0.00 C ATOM 151 C GLY A 12 0.450 3.865 9.742 1.00 0.00 C ATOM 152 O GLY A 12 1.156 3.088 9.100 1.00 0.00 O ATOM 0 H GLY A 12 2.115 4.925 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.961 5.743 10.629 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.272 5.848 9.388 1.00 0.00 H new ATOM 156 N TRP A 13 -0.530 3.460 10.543 1.00 0.00 N ATOM 157 CA TRP A 13 -0.838 2.045 10.717 1.00 0.00 C ATOM 158 C TRP A 13 -1.967 1.615 9.786 1.00 0.00 C ATOM 159 O TRP A 13 -3.122 1.994 9.979 1.00 0.00 O ATOM 160 CB TRP A 13 -1.222 1.761 12.170 1.00 0.00 C ATOM 161 CG TRP A 13 -0.087 1.945 13.131 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.327 3.118 13.695 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.780 0.925 13.639 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.399 2.888 14.523 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.696 1.551 14.507 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.871 -0.456 13.447 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.689 0.842 15.178 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.857 -1.158 14.113 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.754 -0.509 14.971 1.00 0.00 C ATOM 0 H TRP A 13 -1.124 4.091 11.081 1.00 0.00 H new ATOM 0 HA TRP A 13 0.054 1.471 10.465 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.042 2.419 12.457 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.592 0.739 12.247 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.122 4.084 13.516 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.894 3.598 15.063 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.182 -0.966 12.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.383 1.341 15.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.938 -2.225 13.970 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.512 -1.086 15.479 1.00 0.00 H new ATOM 180 N LEU A 14 -1.625 0.821 8.777 1.00 0.00 N ATOM 181 CA LEU A 14 -2.611 0.339 7.816 1.00 0.00 C ATOM 182 C LEU A 14 -2.813 -1.167 7.952 1.00 0.00 C ATOM 183 O LEU A 14 -2.207 -1.812 8.809 1.00 0.00 O ATOM 184 CB LEU A 14 -2.172 0.680 6.391 1.00 0.00 C ATOM 185 CG LEU A 14 -2.303 2.147 5.981 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.488 2.425 4.727 1.00 0.00 C ATOM 187 CD2 LEU A 14 -3.764 2.512 5.763 1.00 0.00 C ATOM 0 H LEU A 14 -0.673 0.498 8.603 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.559 0.834 8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.130 0.382 6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.757 0.076 5.698 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.912 2.767 6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.593 3.474 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.438 2.204 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.848 1.797 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.838 3.560 5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.182 1.886 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.321 2.352 6.686 1.00 0.00 H new ATOM 199 N THR A 15 -3.668 -1.724 7.099 1.00 0.00 N ATOM 200 CA THR A 15 -3.949 -3.154 7.123 1.00 0.00 C ATOM 201 C THR A 15 -3.924 -3.742 5.717 1.00 0.00 C ATOM 202 O THR A 15 -4.629 -3.271 4.824 1.00 0.00 O ATOM 203 CB THR A 15 -5.317 -3.447 7.766 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.360 -2.910 9.093 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.586 -4.943 7.809 1.00 0.00 C ATOM 0 H THR A 15 -4.178 -1.206 6.383 1.00 0.00 H new ATOM 0 HA THR A 15 -3.167 -3.620 7.723 1.00 0.00 H new ATOM 0 HB THR A 15 -6.088 -2.973 7.158 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.234 -3.099 9.494 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.558 -5.125 8.267 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.583 -5.343 6.795 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.810 -5.435 8.396 1.00 0.00 H new ATOM 213 N ILE A 16 -3.109 -4.775 5.527 1.00 0.00 N ATOM 214 CA ILE A 16 -2.995 -5.428 4.229 1.00 0.00 C ATOM 215 C ILE A 16 -4.033 -6.534 4.077 1.00 0.00 C ATOM 216 O ILE A 16 -3.783 -7.687 4.425 1.00 0.00 O ATOM 217 CB ILE A 16 -1.591 -6.026 4.022 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.518 -4.961 4.259 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.465 -6.609 2.622 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.894 -5.483 4.119 1.00 0.00 C ATOM 0 H ILE A 16 -2.519 -5.177 6.255 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.170 -4.662 3.474 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.445 -6.829 4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.666 -4.144 3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.645 -4.545 5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.467 -7.028 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.209 -7.394 2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.628 -5.823 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.601 -4.673 4.300 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.061 -6.280 4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.040 -5.873 3.112 1.00 0.00 H new ATOM 232 N ASN A 17 -5.201 -6.174 3.553 1.00 0.00 N ATOM 233 CA ASN A 17 -6.278 -7.136 3.353 1.00 0.00 C ATOM 234 C ASN A 17 -5.793 -8.336 2.544 1.00 0.00 C ATOM 235 O ASN A 17 -5.945 -9.482 2.963 1.00 0.00 O ATOM 236 CB ASN A 17 -7.459 -6.471 2.643 1.00 0.00 C ATOM 237 CG ASN A 17 -8.788 -7.094 3.025 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.843 -8.234 3.485 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.868 -6.345 2.834 1.00 0.00 N ATOM 0 H ASN A 17 -5.425 -5.223 3.260 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.603 -7.488 4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.475 -5.409 2.887 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.321 -6.548 1.564 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.790 -6.710 3.071 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.775 -5.405 2.450 1.00 0.00 H new ATOM 246 N ASN A 18 -5.209 -8.061 1.382 1.00 0.00 N ATOM 247 CA ASN A 18 -4.702 -9.117 0.513 1.00 0.00 C ATOM 248 C ASN A 18 -4.148 -10.278 1.334 1.00 0.00 C ATOM 249 O ASN A 18 -4.414 -11.443 1.039 1.00 0.00 O ATOM 250 CB ASN A 18 -3.614 -8.567 -0.411 1.00 0.00 C ATOM 251 CG ASN A 18 -3.410 -9.430 -1.642 1.00 0.00 C ATOM 252 OD1 ASN A 18 -3.628 -10.641 -1.607 1.00 0.00 O ATOM 253 ND2 ASN A 18 -2.991 -8.808 -2.737 1.00 0.00 N ATOM 0 H ASN A 18 -5.075 -7.117 1.021 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.531 -9.485 -0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.880 -7.556 -0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.676 -8.496 0.139 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.837 -9.336 -3.596 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.823 -7.802 -2.720 1.00 0.00 H new ATOM 260 N ILE A 19 -3.378 -9.950 2.366 1.00 0.00 N ATOM 261 CA ILE A 19 -2.788 -10.965 3.231 1.00 0.00 C ATOM 262 C ILE A 19 -3.817 -12.021 3.620 1.00 0.00 C ATOM 263 O ILE A 19 -4.675 -11.782 4.470 1.00 0.00 O ATOM 264 CB ILE A 19 -2.199 -10.342 4.510 1.00 0.00 C ATOM 265 CG1 ILE A 19 -0.897 -9.604 4.191 1.00 0.00 C ATOM 266 CG2 ILE A 19 -1.963 -11.415 5.562 1.00 0.00 C ATOM 267 CD1 ILE A 19 0.123 -10.461 3.474 1.00 0.00 C ATOM 0 H ILE A 19 -3.148 -8.990 2.624 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.985 -11.435 2.663 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.914 -9.622 4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.124 -8.733 3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.461 -9.235 5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.546 -10.959 6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.908 -11.899 5.806 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.265 -12.157 5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.020 -9.873 3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.379 -11.319 4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.294 -10.809 2.529 1.00 0.00 H new ATOM 279 N SER A 20 -3.724 -13.190 2.995 1.00 0.00 N ATOM 280 CA SER A 20 -4.648 -14.282 3.275 1.00 0.00 C ATOM 281 C SER A 20 -3.923 -15.451 3.935 1.00 0.00 C ATOM 282 O SER A 20 -4.171 -16.614 3.610 1.00 0.00 O ATOM 283 CB SER A 20 -5.324 -14.750 1.984 1.00 0.00 C ATOM 284 OG SER A 20 -6.231 -15.809 2.238 1.00 0.00 O ATOM 0 H SER A 20 -3.018 -13.405 2.291 1.00 0.00 H new ATOM 0 HA SER A 20 -5.409 -13.914 3.963 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.854 -13.916 1.524 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.567 -15.078 1.272 1.00 0.00 H new ATOM 0 HG SER A 20 -5.780 -16.509 2.755 1.00 0.00 H new ATOM 290 N LEU A 21 -3.027 -15.135 4.863 1.00 0.00 N ATOM 291 CA LEU A 21 -2.265 -16.158 5.570 1.00 0.00 C ATOM 292 C LEU A 21 -3.166 -16.963 6.501 1.00 0.00 C ATOM 293 O LEU A 21 -3.330 -18.171 6.331 1.00 0.00 O ATOM 294 CB LEU A 21 -1.131 -15.515 6.370 1.00 0.00 C ATOM 295 CG LEU A 21 0.202 -15.357 5.638 1.00 0.00 C ATOM 296 CD1 LEU A 21 0.698 -16.704 5.135 1.00 0.00 C ATOM 297 CD2 LEU A 21 0.064 -14.374 4.485 1.00 0.00 C ATOM 0 H LEU A 21 -2.810 -14.179 5.143 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.841 -16.836 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.460 -14.530 6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.962 -16.112 7.266 1.00 0.00 H new ATOM 0 HG LEU A 21 0.936 -14.962 6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.648 -16.572 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.836 -17.379 5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.034 -17.128 4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.022 -14.274 3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.684 -14.740 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.245 -13.402 4.870 1.00 0.00 H new ATOM 309 N MET A 22 -3.750 -16.284 7.483 1.00 0.00 N ATOM 310 CA MET A 22 -4.638 -16.936 8.439 1.00 0.00 C ATOM 311 C MET A 22 -5.784 -16.010 8.835 1.00 0.00 C ATOM 312 O MET A 22 -5.779 -14.824 8.506 1.00 0.00 O ATOM 313 CB MET A 22 -3.858 -17.363 9.684 1.00 0.00 C ATOM 314 CG MET A 22 -3.238 -18.746 9.567 1.00 0.00 C ATOM 315 SD MET A 22 -4.473 -20.049 9.403 1.00 0.00 S ATOM 316 CE MET A 22 -3.608 -21.203 8.340 1.00 0.00 C ATOM 0 H MET A 22 -3.625 -15.284 7.638 1.00 0.00 H new ATOM 0 HA MET A 22 -5.058 -17.821 7.962 1.00 0.00 H new ATOM 0 HB2 MET A 22 -3.070 -16.635 9.876 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.526 -17.345 10.545 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.573 -18.770 8.703 1.00 0.00 H new ATOM 0 HG3 MET A 22 -2.625 -18.941 10.447 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.244 -22.066 8.146 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.362 -20.715 7.397 1.00 0.00 H new ATOM 0 HE3 MET A 22 -2.691 -21.531 8.829 1.00 0.00 H new ATOM 326 N LYS A 23 -6.765 -16.559 9.544 1.00 0.00 N ATOM 327 CA LYS A 23 -7.917 -15.783 9.986 1.00 0.00 C ATOM 328 C LYS A 23 -7.718 -15.278 11.412 1.00 0.00 C ATOM 329 O LYS A 23 -8.670 -15.179 12.184 1.00 0.00 O ATOM 330 CB LYS A 23 -9.189 -16.630 9.907 1.00 0.00 C ATOM 331 CG LYS A 23 -9.579 -17.011 8.489 1.00 0.00 C ATOM 332 CD LYS A 23 -10.119 -15.817 7.720 1.00 0.00 C ATOM 333 CE LYS A 23 -11.522 -15.448 8.177 1.00 0.00 C ATOM 334 NZ LYS A 23 -12.194 -14.529 7.217 1.00 0.00 N ATOM 0 H LYS A 23 -6.785 -17.539 9.825 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.019 -14.922 9.325 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.047 -17.538 10.492 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.011 -16.080 10.366 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.712 -17.418 7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.332 -17.798 8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.454 -14.964 7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.130 -16.044 6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.117 -16.354 8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.472 -14.975 9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.148 -14.301 7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.639 -13.654 7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.265 -14.990 6.287 1.00 0.00 H new ATOM 348 N GLY A 24 -6.473 -14.958 11.753 1.00 0.00 N ATOM 349 CA GLY A 24 -6.172 -14.466 13.085 1.00 0.00 C ATOM 350 C GLY A 24 -4.684 -14.294 13.317 1.00 0.00 C ATOM 351 O GLY A 24 -3.941 -15.272 13.373 1.00 0.00 O ATOM 0 H GLY A 24 -5.668 -15.031 11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.673 -13.510 13.238 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.574 -15.159 13.824 1.00 0.00 H new ATOM 355 N GLY A 25 -4.248 -13.045 13.451 1.00 0.00 N ATOM 356 CA GLY A 25 -2.841 -12.771 13.675 1.00 0.00 C ATOM 357 C GLY A 25 -2.514 -11.294 13.572 1.00 0.00 C ATOM 358 O GLY A 25 -3.211 -10.456 14.145 1.00 0.00 O ATOM 0 H GLY A 25 -4.844 -12.218 13.408 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.556 -13.135 14.662 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.246 -13.323 12.947 1.00 0.00 H new ATOM 362 N SER A 26 -1.450 -10.974 12.842 1.00 0.00 N ATOM 363 CA SER A 26 -1.029 -9.589 12.671 1.00 0.00 C ATOM 364 C SER A 26 -1.003 -9.208 11.194 1.00 0.00 C ATOM 365 O SER A 26 -0.007 -9.424 10.502 1.00 0.00 O ATOM 366 CB SER A 26 0.353 -9.374 13.290 1.00 0.00 C ATOM 367 OG SER A 26 1.254 -10.393 12.893 1.00 0.00 O ATOM 0 H SER A 26 -0.864 -11.655 12.360 1.00 0.00 H new ATOM 0 HA SER A 26 -1.750 -8.950 13.180 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.743 -8.402 12.988 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.270 -9.361 14.377 1.00 0.00 H new ATOM 0 HG SER A 26 1.226 -10.493 11.919 1.00 0.00 H new ATOM 373 N LYS A 27 -2.104 -8.639 10.716 1.00 0.00 N ATOM 374 CA LYS A 27 -2.210 -8.225 9.322 1.00 0.00 C ATOM 375 C LYS A 27 -1.805 -6.764 9.156 1.00 0.00 C ATOM 376 O LYS A 27 -1.357 -6.353 8.086 1.00 0.00 O ATOM 377 CB LYS A 27 -3.639 -8.430 8.815 1.00 0.00 C ATOM 378 CG LYS A 27 -4.157 -9.844 9.012 1.00 0.00 C ATOM 379 CD LYS A 27 -5.676 -9.890 8.987 1.00 0.00 C ATOM 380 CE LYS A 27 -6.186 -11.280 8.638 1.00 0.00 C ATOM 381 NZ LYS A 27 -6.379 -12.121 9.851 1.00 0.00 N ATOM 0 H LYS A 27 -2.937 -8.454 11.275 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.530 -8.841 8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.302 -7.734 9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.678 -8.182 7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.760 -10.490 8.229 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.796 -10.236 9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.066 -9.592 9.960 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.051 -9.170 8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.131 -11.196 8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.480 -11.768 7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.241 -13.122 9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.689 -11.845 10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.342 -11.984 10.219 1.00 0.00 H new ATOM 395 N GLU A 28 -1.964 -5.986 10.222 1.00 0.00 N ATOM 396 CA GLU A 28 -1.614 -4.570 10.192 1.00 0.00 C ATOM 397 C GLU A 28 -0.113 -4.386 9.985 1.00 0.00 C ATOM 398 O GLU A 28 0.685 -5.252 10.344 1.00 0.00 O ATOM 399 CB GLU A 28 -2.049 -3.887 11.491 1.00 0.00 C ATOM 400 CG GLU A 28 -1.222 -4.294 12.699 1.00 0.00 C ATOM 401 CD GLU A 28 -1.779 -5.517 13.402 1.00 0.00 C ATOM 402 OE1 GLU A 28 -1.453 -6.645 12.978 1.00 0.00 O ATOM 403 OE2 GLU A 28 -2.542 -5.345 14.376 1.00 0.00 O ATOM 0 H GLU A 28 -2.332 -6.311 11.116 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.138 -4.109 9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.983 -2.807 11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.096 -4.122 11.682 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.199 -4.496 12.383 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.180 -3.463 13.403 1.00 0.00 H new ATOM 410 N TYR A 29 0.262 -3.251 9.405 1.00 0.00 N ATOM 411 CA TYR A 29 1.666 -2.953 9.147 1.00 0.00 C ATOM 412 C TYR A 29 1.904 -1.447 9.103 1.00 0.00 C ATOM 413 O TYR A 29 1.095 -0.695 8.559 1.00 0.00 O ATOM 414 CB TYR A 29 2.111 -3.589 7.829 1.00 0.00 C ATOM 415 CG TYR A 29 2.356 -5.078 7.927 1.00 0.00 C ATOM 416 CD1 TYR A 29 3.516 -5.574 8.510 1.00 0.00 C ATOM 417 CD2 TYR A 29 1.428 -5.989 7.438 1.00 0.00 C ATOM 418 CE1 TYR A 29 3.745 -6.933 8.602 1.00 0.00 C ATOM 419 CE2 TYR A 29 1.648 -7.350 7.527 1.00 0.00 C ATOM 420 CZ TYR A 29 2.808 -7.817 8.109 1.00 0.00 C ATOM 421 OH TYR A 29 3.031 -9.172 8.199 1.00 0.00 O ATOM 0 H TYR A 29 -0.386 -2.523 9.105 1.00 0.00 H new ATOM 0 HA TYR A 29 2.255 -3.373 9.962 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.350 -3.404 7.071 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.025 -3.101 7.490 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.251 -4.885 8.898 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.519 -5.627 6.980 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.652 -7.301 9.057 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.916 -8.045 7.143 1.00 0.00 H new ATOM 0 HH TYR A 29 2.274 -9.655 7.806 1.00 0.00 H new ATOM 431 N TRP A 30 3.019 -1.014 9.679 1.00 0.00 N ATOM 432 CA TRP A 30 3.366 0.403 9.706 1.00 0.00 C ATOM 433 C TRP A 30 3.907 0.856 8.355 1.00 0.00 C ATOM 434 O TRP A 30 5.094 0.701 8.067 1.00 0.00 O ATOM 435 CB TRP A 30 4.398 0.676 10.801 1.00 0.00 C ATOM 436 CG TRP A 30 4.903 2.087 10.803 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.129 2.519 10.384 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.195 3.250 11.246 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.226 3.881 10.541 1.00 0.00 N ATOM 440 CE2 TRP A 30 5.053 4.353 11.067 1.00 0.00 C ATOM 441 CE3 TRP A 30 2.920 3.467 11.775 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.674 5.651 11.399 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.546 4.756 12.105 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.420 5.834 11.915 1.00 0.00 C ATOM 0 H TRP A 30 3.699 -1.623 10.134 1.00 0.00 H new ATOM 0 HA TRP A 30 2.460 0.970 9.922 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.954 0.455 11.772 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.241 -0.004 10.674 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.908 1.884 9.988 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.040 4.448 10.304 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.239 2.642 11.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.346 6.484 11.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.564 4.935 12.516 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.098 6.830 12.181 1.00 0.00 H new ATOM 455 N PHE A 31 3.030 1.418 7.530 1.00 0.00 N ATOM 456 CA PHE A 31 3.421 1.894 6.208 1.00 0.00 C ATOM 457 C PHE A 31 4.042 3.285 6.292 1.00 0.00 C ATOM 458 O PHE A 31 3.595 4.132 7.066 1.00 0.00 O ATOM 459 CB PHE A 31 2.210 1.921 5.273 1.00 0.00 C ATOM 460 CG PHE A 31 1.938 0.602 4.607 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.445 -0.469 5.335 1.00 0.00 C ATOM 462 CD2 PHE A 31 2.175 0.434 3.252 1.00 0.00 C ATOM 463 CE1 PHE A 31 1.196 -1.683 4.724 1.00 0.00 C ATOM 464 CE2 PHE A 31 1.926 -0.778 2.636 1.00 0.00 C ATOM 465 CZ PHE A 31 1.435 -1.838 3.373 1.00 0.00 C ATOM 0 H PHE A 31 2.044 1.555 7.753 1.00 0.00 H new ATOM 0 HA PHE A 31 4.166 1.206 5.808 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.329 2.221 5.841 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.369 2.680 4.507 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.253 -0.354 6.392 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.559 1.259 2.671 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.814 -2.511 5.303 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.115 -0.896 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.239 -2.786 2.894 1.00 0.00 H new ATOM 475 N VAL A 32 5.078 3.514 5.491 1.00 0.00 N ATOM 476 CA VAL A 32 5.762 4.802 5.474 1.00 0.00 C ATOM 477 C VAL A 32 6.005 5.276 4.045 1.00 0.00 C ATOM 478 O VAL A 32 7.048 4.991 3.455 1.00 0.00 O ATOM 479 CB VAL A 32 7.109 4.732 6.217 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.952 5.960 5.910 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.884 4.589 7.715 1.00 0.00 C ATOM 0 H VAL A 32 5.462 2.824 4.845 1.00 0.00 H new ATOM 0 HA VAL A 32 5.112 5.513 5.984 1.00 0.00 H new ATOM 0 HB VAL A 32 7.651 3.853 5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.900 5.893 6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.142 6.012 4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.419 6.856 6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.846 4.541 8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.322 5.447 8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.323 3.676 7.913 1.00 0.00 H new ATOM 491 N LEU A 33 5.038 6.000 3.495 1.00 0.00 N ATOM 492 CA LEU A 33 5.146 6.515 2.135 1.00 0.00 C ATOM 493 C LEU A 33 6.027 7.760 2.093 1.00 0.00 C ATOM 494 O LEU A 33 5.594 8.853 2.459 1.00 0.00 O ATOM 495 CB LEU A 33 3.759 6.839 1.578 1.00 0.00 C ATOM 496 CG LEU A 33 3.726 7.511 0.205 1.00 0.00 C ATOM 497 CD1 LEU A 33 3.681 6.467 -0.899 1.00 0.00 C ATOM 498 CD2 LEU A 33 2.535 8.453 0.101 1.00 0.00 C ATOM 0 H LEU A 33 4.169 6.244 3.970 1.00 0.00 H new ATOM 0 HA LEU A 33 5.607 5.744 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.187 5.913 1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.246 7.486 2.289 1.00 0.00 H new ATOM 0 HG LEU A 33 4.638 8.096 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.658 6.964 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.566 5.833 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.787 5.854 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.527 8.923 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.612 7.890 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.611 9.222 0.870 1.00 0.00 H new ATOM 510 N THR A 34 7.265 7.588 1.641 1.00 0.00 N ATOM 511 CA THR A 34 8.207 8.697 1.550 1.00 0.00 C ATOM 512 C THR A 34 8.470 9.076 0.097 1.00 0.00 C ATOM 513 O THR A 34 8.172 8.310 -0.818 1.00 0.00 O ATOM 514 CB THR A 34 9.545 8.355 2.231 1.00 0.00 C ATOM 515 OG1 THR A 34 10.187 7.280 1.537 1.00 0.00 O ATOM 516 CG2 THR A 34 9.329 7.969 3.686 1.00 0.00 C ATOM 0 H THR A 34 7.639 6.691 1.332 1.00 0.00 H new ATOM 0 HA THR A 34 7.752 9.542 2.066 1.00 0.00 H new ATOM 0 HB THR A 34 10.181 9.240 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.542 6.558 1.385 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.288 7.732 4.146 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.867 8.801 4.218 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.676 7.098 3.738 1.00 0.00 H new ATOM 524 N ALA A 35 9.032 10.263 -0.107 1.00 0.00 N ATOM 525 CA ALA A 35 9.338 10.742 -1.449 1.00 0.00 C ATOM 526 C ALA A 35 10.248 9.765 -2.187 1.00 0.00 C ATOM 527 O ALA A 35 10.278 9.739 -3.416 1.00 0.00 O ATOM 528 CB ALA A 35 9.982 12.119 -1.384 1.00 0.00 C ATOM 0 H ALA A 35 9.284 10.910 0.640 1.00 0.00 H new ATOM 0 HA ALA A 35 8.402 10.816 -2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.205 12.464 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.297 12.819 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.905 12.062 -0.808 1.00 0.00 H new ATOM 534 N GLU A 36 10.989 8.965 -1.426 1.00 0.00 N ATOM 535 CA GLU A 36 11.901 7.988 -2.009 1.00 0.00 C ATOM 536 C GLU A 36 11.153 6.723 -2.420 1.00 0.00 C ATOM 537 O GLU A 36 11.054 6.405 -3.605 1.00 0.00 O ATOM 538 CB GLU A 36 13.011 7.637 -1.016 1.00 0.00 C ATOM 539 CG GLU A 36 14.029 8.748 -0.824 1.00 0.00 C ATOM 540 CD GLU A 36 13.464 9.931 -0.060 1.00 0.00 C ATOM 541 OE1 GLU A 36 13.202 9.785 1.152 1.00 0.00 O ATOM 542 OE2 GLU A 36 13.285 11.002 -0.676 1.00 0.00 O ATOM 0 H GLU A 36 10.976 8.974 -0.406 1.00 0.00 H new ATOM 0 HA GLU A 36 12.347 8.432 -2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.562 7.396 -0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.525 6.740 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.894 8.355 -0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.382 9.085 -1.799 1.00 0.00 H new ATOM 549 N SER A 37 10.628 6.005 -1.432 1.00 0.00 N ATOM 550 CA SER A 37 9.892 4.773 -1.690 1.00 0.00 C ATOM 551 C SER A 37 8.982 4.428 -0.515 1.00 0.00 C ATOM 552 O SER A 37 9.101 5.003 0.568 1.00 0.00 O ATOM 553 CB SER A 37 10.863 3.620 -1.952 1.00 0.00 C ATOM 554 OG SER A 37 11.785 3.953 -2.975 1.00 0.00 O ATOM 0 H SER A 37 10.699 6.255 -0.446 1.00 0.00 H new ATOM 0 HA SER A 37 9.273 4.927 -2.574 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.403 3.379 -1.036 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.305 2.728 -2.237 1.00 0.00 H new ATOM 0 HG SER A 37 11.416 4.675 -3.526 1.00 0.00 H new ATOM 560 N LEU A 38 8.072 3.486 -0.736 1.00 0.00 N ATOM 561 CA LEU A 38 7.140 3.063 0.303 1.00 0.00 C ATOM 562 C LEU A 38 7.648 1.813 1.015 1.00 0.00 C ATOM 563 O LEU A 38 8.169 0.895 0.382 1.00 0.00 O ATOM 564 CB LEU A 38 5.760 2.795 -0.300 1.00 0.00 C ATOM 565 CG LEU A 38 4.829 1.905 0.524 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.386 2.623 1.789 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.623 1.485 -0.303 1.00 0.00 C ATOM 0 H LEU A 38 7.960 3.000 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 38 7.060 3.868 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.265 3.752 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.896 2.336 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 38 5.377 1.008 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.724 1.974 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.260 2.873 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.856 3.537 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.971 0.852 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.074 2.371 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.958 0.930 -1.180 1.00 0.00 H new ATOM 579 N SER A 39 7.491 1.784 2.334 1.00 0.00 N ATOM 580 CA SER A 39 7.936 0.648 3.132 1.00 0.00 C ATOM 581 C SER A 39 6.972 0.384 4.286 1.00 0.00 C ATOM 582 O SER A 39 6.412 1.314 4.866 1.00 0.00 O ATOM 583 CB SER A 39 9.344 0.899 3.676 1.00 0.00 C ATOM 584 OG SER A 39 9.492 2.240 4.109 1.00 0.00 O ATOM 0 H SER A 39 7.059 2.534 2.873 1.00 0.00 H new ATOM 0 HA SER A 39 7.955 -0.231 2.488 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.542 0.221 4.506 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.080 0.680 2.903 1.00 0.00 H new ATOM 0 HG SER A 39 10.043 2.263 4.919 1.00 0.00 H new ATOM 590 N TRP A 40 6.786 -0.890 4.612 1.00 0.00 N ATOM 591 CA TRP A 40 5.890 -1.277 5.696 1.00 0.00 C ATOM 592 C TRP A 40 6.634 -2.083 6.755 1.00 0.00 C ATOM 593 O TRP A 40 7.177 -3.150 6.469 1.00 0.00 O ATOM 594 CB TRP A 40 4.716 -2.091 5.149 1.00 0.00 C ATOM 595 CG TRP A 40 5.135 -3.175 4.203 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.476 -4.458 4.524 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.260 -3.070 2.780 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.805 -5.156 3.388 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.679 -4.328 2.304 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.055 -2.036 1.862 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.898 -4.576 0.952 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.274 -2.284 0.520 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.691 -3.546 0.075 1.00 0.00 C ATOM 0 H TRP A 40 7.243 -1.672 4.142 1.00 0.00 H new ATOM 0 HA TRP A 40 5.507 -0.368 6.160 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.172 -2.536 5.982 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.025 -1.420 4.639 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.486 -4.864 5.525 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.096 -6.133 3.356 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.731 -1.061 2.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.220 -5.547 0.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.121 -1.492 -0.198 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.852 -3.709 -0.980 1.00 0.00 H new ATOM 614 N TYR A 41 6.656 -1.566 7.979 1.00 0.00 N ATOM 615 CA TYR A 41 7.336 -2.237 9.080 1.00 0.00 C ATOM 616 C TYR A 41 6.332 -2.750 10.108 1.00 0.00 C ATOM 617 O TYR A 41 5.120 -2.655 9.912 1.00 0.00 O ATOM 618 CB TYR A 41 8.328 -1.285 9.750 1.00 0.00 C ATOM 619 CG TYR A 41 9.156 -0.486 8.770 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.573 0.491 7.972 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.522 -0.706 8.642 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.325 1.224 7.075 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.282 0.023 7.748 1.00 0.00 C ATOM 624 CZ TYR A 41 10.680 0.986 6.967 1.00 0.00 C ATOM 625 OH TYR A 41 11.434 1.714 6.075 1.00 0.00 O ATOM 0 H TYR A 41 6.211 -0.684 8.233 1.00 0.00 H new ATOM 0 HA TYR A 41 7.880 -3.090 8.673 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.780 -0.598 10.395 1.00 0.00 H new ATOM 0 HB3 TYR A 41 8.995 -1.861 10.391 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.513 0.680 8.055 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.998 -1.460 9.252 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.855 1.979 6.462 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.343 -0.161 7.661 1.00 0.00 H new ATOM 0 HH TYR A 41 12.349 1.802 6.415 1.00 0.00 H new ATOM 635 N LYS A 42 6.846 -3.295 11.206 1.00 0.00 N ATOM 636 CA LYS A 42 5.997 -3.822 12.268 1.00 0.00 C ATOM 637 C LYS A 42 5.681 -2.743 13.298 1.00 0.00 C ATOM 638 O LYS A 42 4.667 -2.813 13.993 1.00 0.00 O ATOM 639 CB LYS A 42 6.679 -5.010 12.951 1.00 0.00 C ATOM 640 CG LYS A 42 5.712 -6.095 13.391 1.00 0.00 C ATOM 641 CD LYS A 42 6.266 -6.896 14.558 1.00 0.00 C ATOM 642 CE LYS A 42 7.372 -7.840 14.111 1.00 0.00 C ATOM 643 NZ LYS A 42 7.593 -8.939 15.091 1.00 0.00 N ATOM 0 H LYS A 42 7.847 -3.383 11.383 1.00 0.00 H new ATOM 0 HA LYS A 42 5.061 -4.156 11.819 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.409 -5.442 12.267 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.230 -4.651 13.821 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.762 -5.643 13.677 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.508 -6.763 12.554 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.652 -6.216 15.317 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.463 -7.469 15.022 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.116 -8.265 13.140 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.297 -7.279 13.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.354 -9.560 14.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.862 -8.535 16.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.718 -9.490 15.198 1.00 0.00 H new ATOM 657 N ASP A 43 6.553 -1.745 13.390 1.00 0.00 N ATOM 658 CA ASP A 43 6.365 -0.649 14.334 1.00 0.00 C ATOM 659 C ASP A 43 6.662 0.693 13.673 1.00 0.00 C ATOM 660 O ASP A 43 7.081 0.748 12.518 1.00 0.00 O ATOM 661 CB ASP A 43 7.264 -0.841 15.556 1.00 0.00 C ATOM 662 CG ASP A 43 8.585 -1.496 15.206 1.00 0.00 C ATOM 663 OD1 ASP A 43 9.444 -0.817 14.605 1.00 0.00 O ATOM 664 OD2 ASP A 43 8.762 -2.688 15.535 1.00 0.00 O ATOM 0 H ASP A 43 7.397 -1.672 12.822 1.00 0.00 H new ATOM 0 HA ASP A 43 5.324 -0.652 14.656 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.453 0.127 16.020 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.743 -1.451 16.294 1.00 0.00 H new ATOM 669 N GLU A 44 6.442 1.774 14.416 1.00 0.00 N ATOM 670 CA GLU A 44 6.685 3.116 13.901 1.00 0.00 C ATOM 671 C GLU A 44 8.181 3.407 13.825 1.00 0.00 C ATOM 672 O GLU A 44 8.624 4.226 13.021 1.00 0.00 O ATOM 673 CB GLU A 44 5.996 4.158 14.784 1.00 0.00 C ATOM 674 CG GLU A 44 4.666 3.691 15.351 1.00 0.00 C ATOM 675 CD GLU A 44 4.814 2.996 16.691 1.00 0.00 C ATOM 676 OE1 GLU A 44 5.934 2.538 17.000 1.00 0.00 O ATOM 677 OE2 GLU A 44 3.811 2.909 17.429 1.00 0.00 O ATOM 0 H GLU A 44 6.096 1.746 15.375 1.00 0.00 H new ATOM 0 HA GLU A 44 6.270 3.172 12.895 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.660 4.421 15.607 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.835 5.066 14.202 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.002 4.548 15.462 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.193 3.010 14.643 1.00 0.00 H new ATOM 684 N GLU A 45 8.953 2.731 14.669 1.00 0.00 N ATOM 685 CA GLU A 45 10.399 2.918 14.699 1.00 0.00 C ATOM 686 C GLU A 45 11.032 2.475 13.383 1.00 0.00 C ATOM 687 O GLU A 45 12.195 2.771 13.112 1.00 0.00 O ATOM 688 CB GLU A 45 11.014 2.136 15.862 1.00 0.00 C ATOM 689 CG GLU A 45 10.921 2.856 17.196 1.00 0.00 C ATOM 690 CD GLU A 45 11.984 3.925 17.357 1.00 0.00 C ATOM 691 OE1 GLU A 45 11.766 5.056 16.874 1.00 0.00 O ATOM 692 OE2 GLU A 45 13.034 3.631 17.966 1.00 0.00 O ATOM 0 H GLU A 45 8.602 2.049 15.341 1.00 0.00 H new ATOM 0 HA GLU A 45 10.599 3.980 14.840 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.514 1.171 15.944 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.062 1.935 15.640 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.935 3.312 17.291 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.016 2.130 18.004 1.00 0.00 H new ATOM 699 N GLU A 46 10.257 1.763 12.570 1.00 0.00 N ATOM 700 CA GLU A 46 10.743 1.278 11.284 1.00 0.00 C ATOM 701 C GLU A 46 12.137 0.674 11.421 1.00 0.00 C ATOM 702 O GLU A 46 13.035 0.971 10.632 1.00 0.00 O ATOM 703 CB GLU A 46 10.765 2.415 10.260 1.00 0.00 C ATOM 704 CG GLU A 46 9.437 3.141 10.127 1.00 0.00 C ATOM 705 CD GLU A 46 9.601 4.580 9.678 1.00 0.00 C ATOM 706 OE1 GLU A 46 10.063 4.798 8.539 1.00 0.00 O ATOM 707 OE2 GLU A 46 9.267 5.489 10.468 1.00 0.00 O ATOM 0 H GLU A 46 9.291 1.510 12.779 1.00 0.00 H new ATOM 0 HA GLU A 46 10.062 0.500 10.938 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.535 3.133 10.543 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.048 2.011 9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.807 2.611 9.412 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.918 3.120 11.085 1.00 0.00 H new ATOM 714 N LYS A 47 12.312 -0.174 12.429 1.00 0.00 N ATOM 715 CA LYS A 47 13.596 -0.821 12.671 1.00 0.00 C ATOM 716 C LYS A 47 13.686 -2.148 11.924 1.00 0.00 C ATOM 717 O LYS A 47 14.700 -2.449 11.296 1.00 0.00 O ATOM 718 CB LYS A 47 13.799 -1.052 14.170 1.00 0.00 C ATOM 719 CG LYS A 47 14.178 0.205 14.933 1.00 0.00 C ATOM 720 CD LYS A 47 13.843 0.083 16.410 1.00 0.00 C ATOM 721 CE LYS A 47 14.812 -0.846 17.127 1.00 0.00 C ATOM 722 NZ LYS A 47 16.121 -0.185 17.390 1.00 0.00 N ATOM 0 H LYS A 47 11.580 -0.429 13.092 1.00 0.00 H new ATOM 0 HA LYS A 47 14.382 -0.163 12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.882 -1.461 14.593 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.578 -1.802 14.311 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.245 0.395 14.815 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.653 1.061 14.509 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.872 1.069 16.873 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.826 -0.292 16.524 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.373 -1.171 18.070 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.971 -1.740 16.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.736 -0.832 17.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.575 0.057 16.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.967 0.682 17.943 1.00 0.00 H new ATOM 736 N GLU A 48 12.618 -2.937 11.997 1.00 0.00 N ATOM 737 CA GLU A 48 12.578 -4.231 11.327 1.00 0.00 C ATOM 738 C GLU A 48 11.812 -4.138 10.010 1.00 0.00 C ATOM 739 O GLU A 48 10.645 -4.521 9.929 1.00 0.00 O ATOM 740 CB GLU A 48 11.930 -5.280 12.233 1.00 0.00 C ATOM 741 CG GLU A 48 12.920 -6.005 13.129 1.00 0.00 C ATOM 742 CD GLU A 48 13.801 -6.972 12.362 1.00 0.00 C ATOM 743 OE1 GLU A 48 13.365 -8.120 12.137 1.00 0.00 O ATOM 744 OE2 GLU A 48 14.927 -6.581 11.988 1.00 0.00 O ATOM 0 H GLU A 48 11.770 -2.702 12.513 1.00 0.00 H new ATOM 0 HA GLU A 48 13.603 -4.531 11.111 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.177 -4.796 12.855 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.410 -6.011 11.614 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.547 -5.273 13.638 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.375 -6.549 13.900 1.00 0.00 H new ATOM 751 N LYS A 49 12.478 -3.627 8.980 1.00 0.00 N ATOM 752 CA LYS A 49 11.863 -3.484 7.666 1.00 0.00 C ATOM 753 C LYS A 49 11.512 -4.847 7.077 1.00 0.00 C ATOM 754 O LYS A 49 12.359 -5.737 6.998 1.00 0.00 O ATOM 755 CB LYS A 49 12.804 -2.735 6.719 1.00 0.00 C ATOM 756 CG LYS A 49 12.113 -2.191 5.480 1.00 0.00 C ATOM 757 CD LYS A 49 12.843 -0.982 4.920 1.00 0.00 C ATOM 758 CE LYS A 49 14.222 -1.357 4.398 1.00 0.00 C ATOM 759 NZ LYS A 49 15.265 -1.241 5.455 1.00 0.00 N ATOM 0 H LYS A 49 13.444 -3.305 9.030 1.00 0.00 H new ATOM 0 HA LYS A 49 10.943 -2.911 7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.267 -1.909 7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.607 -3.406 6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.061 -2.970 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.087 -1.916 5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.255 -0.541 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.940 -0.223 5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.201 -2.379 4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.481 -0.711 3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.120 -0.806 5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.908 -0.649 6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.497 -2.187 5.819 1.00 0.00 H new ATOM 773 N LYS A 50 10.259 -5.003 6.665 1.00 0.00 N ATOM 774 CA LYS A 50 9.796 -6.257 6.081 1.00 0.00 C ATOM 775 C LYS A 50 10.099 -6.305 4.587 1.00 0.00 C ATOM 776 O LYS A 50 10.702 -7.260 4.097 1.00 0.00 O ATOM 777 CB LYS A 50 8.293 -6.427 6.313 1.00 0.00 C ATOM 778 CG LYS A 50 7.812 -5.845 7.631 1.00 0.00 C ATOM 779 CD LYS A 50 8.480 -6.521 8.816 1.00 0.00 C ATOM 780 CE LYS A 50 7.686 -7.728 9.290 1.00 0.00 C ATOM 781 NZ LYS A 50 8.096 -8.973 8.583 1.00 0.00 N ATOM 0 H LYS A 50 9.545 -4.277 6.724 1.00 0.00 H new ATOM 0 HA LYS A 50 10.327 -7.074 6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.751 -5.951 5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.047 -7.488 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.021 -4.776 7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.731 -5.960 7.707 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.487 -6.833 8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.582 -5.807 9.634 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.826 -7.857 10.363 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.623 -7.551 9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.268 -9.397 8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.815 -8.745 7.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.492 -9.647 9.269 1.00 0.00 H new ATOM 795 N TYR A 51 9.678 -5.271 3.868 1.00 0.00 N ATOM 796 CA TYR A 51 9.903 -5.196 2.430 1.00 0.00 C ATOM 797 C TYR A 51 9.702 -3.773 1.919 1.00 0.00 C ATOM 798 O TYR A 51 8.711 -3.119 2.244 1.00 0.00 O ATOM 799 CB TYR A 51 8.961 -6.151 1.695 1.00 0.00 C ATOM 800 CG TYR A 51 9.314 -6.347 0.237 1.00 0.00 C ATOM 801 CD1 TYR A 51 8.988 -5.386 -0.711 1.00 0.00 C ATOM 802 CD2 TYR A 51 9.972 -7.493 -0.191 1.00 0.00 C ATOM 803 CE1 TYR A 51 9.307 -5.560 -2.044 1.00 0.00 C ATOM 804 CE2 TYR A 51 10.296 -7.675 -1.521 1.00 0.00 C ATOM 805 CZ TYR A 51 9.962 -6.706 -2.444 1.00 0.00 C ATOM 806 OH TYR A 51 10.282 -6.885 -3.770 1.00 0.00 O ATOM 0 H TYR A 51 9.178 -4.472 4.258 1.00 0.00 H new ATOM 0 HA TYR A 51 10.934 -5.490 2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.974 -7.119 2.197 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.942 -5.769 1.765 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.476 -4.487 -0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.235 -8.254 0.528 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.045 -4.803 -2.768 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.808 -8.572 -1.837 1.00 0.00 H new ATOM 0 HH TYR A 51 10.742 -7.743 -3.883 1.00 0.00 H new ATOM 816 N MET A 52 10.650 -3.299 1.117 1.00 0.00 N ATOM 817 CA MET A 52 10.577 -1.953 0.560 1.00 0.00 C ATOM 818 C MET A 52 10.071 -1.988 -0.879 1.00 0.00 C ATOM 819 O MET A 52 10.312 -2.950 -1.610 1.00 0.00 O ATOM 820 CB MET A 52 11.950 -1.280 0.614 1.00 0.00 C ATOM 821 CG MET A 52 11.948 0.147 0.092 1.00 0.00 C ATOM 822 SD MET A 52 13.604 0.751 -0.285 1.00 0.00 S ATOM 823 CE MET A 52 13.756 0.270 -2.004 1.00 0.00 C ATOM 0 H MET A 52 11.477 -3.827 0.838 1.00 0.00 H new ATOM 0 HA MET A 52 9.874 -1.375 1.160 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.306 -1.281 1.644 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.658 -1.870 0.032 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.333 0.200 -0.806 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.487 0.800 0.833 1.00 0.00 H new ATOM 0 HE1 MET A 52 14.731 0.576 -2.383 1.00 0.00 H new ATOM 0 HE2 MET A 52 13.657 -0.812 -2.089 1.00 0.00 H new ATOM 0 HE3 MET A 52 12.972 0.753 -2.588 1.00 0.00 H new ATOM 833 N LEU A 53 9.368 -0.934 -1.279 1.00 0.00 N ATOM 834 CA LEU A 53 8.828 -0.844 -2.631 1.00 0.00 C ATOM 835 C LEU A 53 8.867 0.594 -3.138 1.00 0.00 C ATOM 836 O LEU A 53 8.481 1.534 -2.443 1.00 0.00 O ATOM 837 CB LEU A 53 7.391 -1.369 -2.664 1.00 0.00 C ATOM 838 CG LEU A 53 6.943 -2.018 -3.974 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.672 -3.334 -4.195 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.437 -2.234 -3.974 1.00 0.00 C ATOM 0 H LEU A 53 9.159 -0.130 -0.687 1.00 0.00 H new ATOM 0 HA LEU A 53 9.448 -1.458 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.273 -2.098 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.718 -0.541 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 53 7.194 -1.346 -4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.340 -3.781 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.746 -3.152 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.454 -4.014 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.136 -2.697 -4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.163 -2.886 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.932 -1.274 -3.864 1.00 0.00 H new ATOM 852 N PRO A 54 9.341 0.771 -4.381 1.00 0.00 N ATOM 853 CA PRO A 54 9.439 2.091 -5.010 1.00 0.00 C ATOM 854 C PRO A 54 8.071 2.677 -5.343 1.00 0.00 C ATOM 855 O PRO A 54 7.038 2.077 -5.044 1.00 0.00 O ATOM 856 CB PRO A 54 10.229 1.816 -6.292 1.00 0.00 C ATOM 857 CG PRO A 54 9.968 0.381 -6.596 1.00 0.00 C ATOM 858 CD PRO A 54 9.818 -0.304 -5.267 1.00 0.00 C ATOM 0 HA PRO A 54 9.909 2.822 -4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.898 2.460 -7.107 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.293 2.003 -6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.066 0.267 -7.197 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.789 -0.052 -7.168 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.107 -1.128 -5.318 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.764 -0.720 -4.920 1.00 0.00 H new ATOM 866 N LEU A 55 8.071 3.852 -5.964 1.00 0.00 N ATOM 867 CA LEU A 55 6.830 4.519 -6.339 1.00 0.00 C ATOM 868 C LEU A 55 6.880 4.988 -7.790 1.00 0.00 C ATOM 869 O LEU A 55 6.235 5.970 -8.158 1.00 0.00 O ATOM 870 CB LEU A 55 6.569 5.710 -5.415 1.00 0.00 C ATOM 871 CG LEU A 55 6.697 5.438 -3.916 1.00 0.00 C ATOM 872 CD1 LEU A 55 6.646 6.739 -3.131 1.00 0.00 C ATOM 873 CD2 LEU A 55 5.602 4.489 -3.451 1.00 0.00 C ATOM 0 H LEU A 55 8.917 4.362 -6.218 1.00 0.00 H new ATOM 0 HA LEU A 55 6.016 3.802 -6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.263 6.508 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.564 6.083 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 55 7.662 4.965 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.739 6.525 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.466 7.385 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.697 7.241 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.709 4.307 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.627 4.934 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.685 3.545 -3.990 1.00 0.00 H new ATOM 885 N ASP A 56 7.648 4.278 -8.609 1.00 0.00 N ATOM 886 CA ASP A 56 7.780 4.619 -10.020 1.00 0.00 C ATOM 887 C ASP A 56 7.064 3.595 -10.896 1.00 0.00 C ATOM 888 O ASP A 56 6.288 3.955 -11.780 1.00 0.00 O ATOM 889 CB ASP A 56 9.256 4.700 -10.412 1.00 0.00 C ATOM 890 CG ASP A 56 10.086 3.607 -9.768 1.00 0.00 C ATOM 891 OD1 ASP A 56 9.850 2.421 -10.081 1.00 0.00 O ATOM 892 OD2 ASP A 56 10.972 3.937 -8.951 1.00 0.00 O ATOM 0 H ASP A 56 8.188 3.463 -8.320 1.00 0.00 H new ATOM 0 HA ASP A 56 7.317 5.593 -10.177 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.346 4.629 -11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.653 5.673 -10.122 1.00 0.00 H new ATOM 897 N ASN A 57 7.331 2.318 -10.643 1.00 0.00 N ATOM 898 CA ASN A 57 6.714 1.242 -11.410 1.00 0.00 C ATOM 899 C ASN A 57 5.433 0.759 -10.736 1.00 0.00 C ATOM 900 O ASN A 57 5.088 -0.421 -10.806 1.00 0.00 O ATOM 901 CB ASN A 57 7.691 0.075 -11.568 1.00 0.00 C ATOM 902 CG ASN A 57 8.893 0.439 -12.419 1.00 0.00 C ATOM 903 OD1 ASN A 57 8.757 0.763 -13.598 1.00 0.00 O ATOM 904 ND2 ASN A 57 10.078 0.386 -11.821 1.00 0.00 N ATOM 0 H ASN A 57 7.970 2.003 -9.913 1.00 0.00 H new ATOM 0 HA ASN A 57 6.461 1.631 -12.396 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.030 -0.247 -10.584 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.172 -0.771 -12.019 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.923 0.620 -12.342 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.143 0.112 -10.841 1.00 0.00 H new ATOM 911 N LEU A 58 4.732 1.680 -10.083 1.00 0.00 N ATOM 912 CA LEU A 58 3.488 1.349 -9.396 1.00 0.00 C ATOM 913 C LEU A 58 2.361 2.280 -9.833 1.00 0.00 C ATOM 914 O LEU A 58 2.606 3.387 -10.313 1.00 0.00 O ATOM 915 CB LEU A 58 3.680 1.438 -7.881 1.00 0.00 C ATOM 916 CG LEU A 58 4.840 0.627 -7.303 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.895 0.776 -5.791 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.712 -0.839 -7.692 1.00 0.00 C ATOM 0 H LEU A 58 5.004 2.661 -10.015 1.00 0.00 H new ATOM 0 HA LEU A 58 3.215 0.328 -9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.826 2.485 -7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.759 1.112 -7.398 1.00 0.00 H new ATOM 0 HG LEU A 58 5.770 1.013 -7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.727 0.192 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.035 1.826 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.962 0.417 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.546 -1.401 -7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.774 -1.238 -7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.724 -0.930 -8.778 1.00 0.00 H new ATOM 930 N LYS A 59 1.125 1.825 -9.661 1.00 0.00 N ATOM 931 CA LYS A 59 -0.041 2.617 -10.033 1.00 0.00 C ATOM 932 C LYS A 59 -1.252 2.233 -9.188 1.00 0.00 C ATOM 933 O LYS A 59 -1.339 1.113 -8.684 1.00 0.00 O ATOM 934 CB LYS A 59 -0.361 2.424 -11.517 1.00 0.00 C ATOM 935 CG LYS A 59 -1.183 3.554 -12.114 1.00 0.00 C ATOM 936 CD LYS A 59 -1.029 3.619 -13.624 1.00 0.00 C ATOM 937 CE LYS A 59 -1.787 4.799 -14.211 1.00 0.00 C ATOM 938 NZ LYS A 59 -3.261 4.630 -14.084 1.00 0.00 N ATOM 0 H LYS A 59 0.905 0.911 -9.266 1.00 0.00 H new ATOM 0 HA LYS A 59 0.190 3.666 -9.850 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.572 2.332 -12.072 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.901 1.486 -11.645 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.234 3.414 -11.860 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.873 4.502 -11.675 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.027 3.700 -13.880 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.394 2.693 -14.068 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.482 5.715 -13.705 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.524 4.913 -15.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.743 5.413 -14.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.545 3.727 -14.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.525 4.632 -13.078 1.00 0.00 H new ATOM 952 N ILE A 60 -2.183 3.169 -9.038 1.00 0.00 N ATOM 953 CA ILE A 60 -3.389 2.928 -8.256 1.00 0.00 C ATOM 954 C ILE A 60 -4.627 2.911 -9.146 1.00 0.00 C ATOM 955 O ILE A 60 -4.753 3.718 -10.066 1.00 0.00 O ATOM 956 CB ILE A 60 -3.573 3.994 -7.160 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.339 4.046 -6.256 1.00 0.00 C ATOM 958 CG2 ILE A 60 -4.823 3.704 -6.343 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.174 5.364 -5.533 1.00 0.00 C ATOM 0 H ILE A 60 -2.125 4.101 -9.448 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.269 1.952 -7.785 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.692 4.967 -7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.403 3.243 -5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.450 3.857 -6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.939 4.466 -5.573 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.695 3.713 -6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.732 2.725 -5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.279 5.328 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.078 6.169 -6.262 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.046 5.546 -4.904 1.00 0.00 H new ATOM 971 N ARG A 61 -5.540 1.987 -8.863 1.00 0.00 N ATOM 972 CA ARG A 61 -6.769 1.865 -9.637 1.00 0.00 C ATOM 973 C ARG A 61 -7.949 1.520 -8.734 1.00 0.00 C ATOM 974 O ARG A 61 -7.791 0.831 -7.725 1.00 0.00 O ATOM 975 CB ARG A 61 -6.612 0.796 -10.720 1.00 0.00 C ATOM 976 CG ARG A 61 -5.980 -0.492 -10.216 1.00 0.00 C ATOM 977 CD ARG A 61 -5.835 -1.514 -11.332 1.00 0.00 C ATOM 978 NE ARG A 61 -7.129 -2.004 -11.799 1.00 0.00 N ATOM 979 CZ ARG A 61 -7.862 -1.383 -12.717 1.00 0.00 C ATOM 980 NH1 ARG A 61 -7.429 -0.256 -13.265 1.00 0.00 N ATOM 981 NH2 ARG A 61 -9.029 -1.891 -13.090 1.00 0.00 N ATOM 0 H ARG A 61 -5.451 1.312 -8.103 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.966 2.826 -10.111 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.592 0.570 -11.141 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.003 1.198 -11.530 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.000 -0.276 -9.790 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.591 -0.910 -9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.295 -1.065 -12.166 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.236 -2.353 -10.979 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.490 -2.870 -11.399 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.531 0.137 -12.982 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.994 0.218 -13.969 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.364 -2.759 -12.672 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.591 -1.414 -13.795 1.00 0.00 H new ATOM 995 N ASP A 62 -9.131 2.003 -9.102 1.00 0.00 N ATOM 996 CA ASP A 62 -10.338 1.745 -8.325 1.00 0.00 C ATOM 997 C ASP A 62 -10.895 0.358 -8.632 1.00 0.00 C ATOM 998 O ASP A 62 -11.355 0.095 -9.743 1.00 0.00 O ATOM 999 CB ASP A 62 -11.395 2.810 -8.617 1.00 0.00 C ATOM 1000 CG ASP A 62 -11.458 3.175 -10.087 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -10.600 3.961 -10.540 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -12.366 2.675 -10.785 1.00 0.00 O ATOM 0 H ASP A 62 -9.279 2.575 -9.933 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.076 1.785 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.371 2.448 -8.293 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.177 3.704 -8.033 1.00 0.00 H new ATOM 1007 N VAL A 63 -10.851 -0.525 -7.639 1.00 0.00 N ATOM 1008 CA VAL A 63 -11.352 -1.884 -7.803 1.00 0.00 C ATOM 1009 C VAL A 63 -12.781 -1.884 -8.332 1.00 0.00 C ATOM 1010 O VAL A 63 -13.674 -1.285 -7.734 1.00 0.00 O ATOM 1011 CB VAL A 63 -11.308 -2.662 -6.474 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -11.886 -4.058 -6.654 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -9.885 -2.729 -5.943 1.00 0.00 C ATOM 0 H VAL A 63 -10.474 -0.323 -6.713 1.00 0.00 H new ATOM 0 HA VAL A 63 -10.701 -2.376 -8.526 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.919 -2.133 -5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.847 -4.593 -5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -12.922 -3.983 -6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.304 -4.599 -7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.873 -3.282 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.249 -3.234 -6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.512 -1.719 -5.774 1.00 0.00 H new ATOM 1023 N GLU A 64 -12.990 -2.559 -9.458 1.00 0.00 N ATOM 1024 CA GLU A 64 -14.312 -2.635 -10.068 1.00 0.00 C ATOM 1025 C GLU A 64 -14.646 -4.070 -10.466 1.00 0.00 C ATOM 1026 O GLU A 64 -15.166 -4.321 -11.553 1.00 0.00 O ATOM 1027 CB GLU A 64 -14.386 -1.725 -11.296 1.00 0.00 C ATOM 1028 CG GLU A 64 -14.535 -0.252 -10.952 1.00 0.00 C ATOM 1029 CD GLU A 64 -14.575 0.633 -12.183 1.00 0.00 C ATOM 1030 OE1 GLU A 64 -13.734 0.432 -13.085 1.00 0.00 O ATOM 1031 OE2 GLU A 64 -15.446 1.525 -12.245 1.00 0.00 O ATOM 0 H GLU A 64 -12.261 -3.061 -9.966 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.042 -2.300 -9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.485 -1.861 -11.894 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.229 -2.032 -11.916 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.449 -0.108 -10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.705 0.054 -10.315 1.00 0.00 H new ATOM 1038 N LYS A 65 -14.342 -5.010 -9.577 1.00 0.00 N ATOM 1039 CA LYS A 65 -14.610 -6.421 -9.832 1.00 0.00 C ATOM 1040 C LYS A 65 -15.732 -6.933 -8.935 1.00 0.00 C ATOM 1041 O LYS A 65 -15.699 -8.072 -8.472 1.00 0.00 O ATOM 1042 CB LYS A 65 -13.343 -7.250 -9.607 1.00 0.00 C ATOM 1043 CG LYS A 65 -13.278 -8.505 -10.460 1.00 0.00 C ATOM 1044 CD LYS A 65 -13.009 -8.174 -11.918 1.00 0.00 C ATOM 1045 CE LYS A 65 -12.838 -9.434 -12.753 1.00 0.00 C ATOM 1046 NZ LYS A 65 -11.536 -10.106 -12.482 1.00 0.00 N ATOM 0 H LYS A 65 -13.910 -4.820 -8.673 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.925 -6.524 -10.871 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.471 -6.631 -9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.285 -7.532 -8.556 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.493 -9.161 -10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.217 -9.051 -10.377 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.833 -7.582 -12.316 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.111 -7.561 -11.993 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.654 -10.124 -12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.903 -9.180 -13.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.404 -10.891 -13.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.762 -9.421 -12.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.532 -10.476 -11.510 1.00 0.00 H new ATOM 1060 N GLY A 66 -16.726 -6.083 -8.694 1.00 0.00 N ATOM 1061 CA GLY A 66 -17.845 -6.469 -7.855 1.00 0.00 C ATOM 1062 C GLY A 66 -17.400 -7.031 -6.519 1.00 0.00 C ATOM 1063 O GLY A 66 -17.924 -8.045 -6.058 1.00 0.00 O ATOM 0 H GLY A 66 -16.776 -5.134 -9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.485 -5.603 -7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.447 -7.213 -8.377 1.00 0.00 H new ATOM 1067 N PHE A 67 -16.430 -6.371 -5.895 1.00 0.00 N ATOM 1068 CA PHE A 67 -15.913 -6.812 -4.604 1.00 0.00 C ATOM 1069 C PHE A 67 -15.275 -5.651 -3.848 1.00 0.00 C ATOM 1070 O PHE A 67 -15.271 -4.515 -4.322 1.00 0.00 O ATOM 1071 CB PHE A 67 -14.890 -7.933 -4.797 1.00 0.00 C ATOM 1072 CG PHE A 67 -15.510 -9.294 -4.933 1.00 0.00 C ATOM 1073 CD1 PHE A 67 -16.192 -9.868 -3.872 1.00 0.00 C ATOM 1074 CD2 PHE A 67 -15.410 -10.000 -6.121 1.00 0.00 C ATOM 1075 CE1 PHE A 67 -16.765 -11.120 -3.994 1.00 0.00 C ATOM 1076 CE2 PHE A 67 -15.981 -11.253 -6.249 1.00 0.00 C ATOM 1077 CZ PHE A 67 -16.658 -11.814 -5.184 1.00 0.00 C ATOM 0 H PHE A 67 -15.986 -5.529 -6.262 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.749 -7.190 -4.016 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -14.296 -7.723 -5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.204 -7.938 -3.950 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.277 -9.331 -2.939 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -14.880 -9.567 -6.956 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -17.296 -11.555 -3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -15.898 -11.792 -7.181 1.00 0.00 H new ATOM 0 HZ PHE A 67 -17.103 -12.793 -5.281 1.00 0.00 H new ATOM 1087 N MET A 68 -14.737 -5.944 -2.669 1.00 0.00 N ATOM 1088 CA MET A 68 -14.096 -4.925 -1.847 1.00 0.00 C ATOM 1089 C MET A 68 -15.061 -3.783 -1.545 1.00 0.00 C ATOM 1090 O MET A 68 -14.673 -2.615 -1.539 1.00 0.00 O ATOM 1091 CB MET A 68 -12.850 -4.382 -2.549 1.00 0.00 C ATOM 1092 CG MET A 68 -11.645 -5.303 -2.446 1.00 0.00 C ATOM 1093 SD MET A 68 -11.643 -6.588 -3.711 1.00 0.00 S ATOM 1094 CE MET A 68 -10.791 -7.908 -2.851 1.00 0.00 C ATOM 0 H MET A 68 -14.732 -6.879 -2.261 1.00 0.00 H new ATOM 0 HA MET A 68 -13.801 -5.387 -0.905 1.00 0.00 H new ATOM 0 HB2 MET A 68 -13.080 -4.214 -3.601 1.00 0.00 H new ATOM 0 HB3 MET A 68 -12.594 -3.413 -2.120 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.733 -4.713 -2.532 1.00 0.00 H new ATOM 0 HG3 MET A 68 -11.632 -5.769 -1.461 1.00 0.00 H new ATOM 0 HE1 MET A 68 -9.842 -8.113 -3.347 1.00 0.00 H new ATOM 0 HE2 MET A 68 -10.604 -7.609 -1.820 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.408 -8.807 -2.862 1.00 0.00 H new ATOM 1104 N SER A 69 -16.320 -4.129 -1.296 1.00 0.00 N ATOM 1105 CA SER A 69 -17.342 -3.132 -0.997 1.00 0.00 C ATOM 1106 C SER A 69 -17.771 -3.215 0.464 1.00 0.00 C ATOM 1107 O SER A 69 -18.956 -3.123 0.781 1.00 0.00 O ATOM 1108 CB SER A 69 -18.555 -3.326 -1.909 1.00 0.00 C ATOM 1109 OG SER A 69 -19.122 -4.613 -1.736 1.00 0.00 O ATOM 0 H SER A 69 -16.657 -5.092 -1.295 1.00 0.00 H new ATOM 0 HA SER A 69 -16.916 -2.145 -1.176 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.303 -2.563 -1.692 1.00 0.00 H new ATOM 0 HB3 SER A 69 -18.257 -3.193 -2.949 1.00 0.00 H new ATOM 0 HG SER A 69 -19.896 -4.712 -2.328 1.00 0.00 H new ATOM 1115 N ASN A 70 -16.797 -3.389 1.352 1.00 0.00 N ATOM 1116 CA ASN A 70 -17.073 -3.485 2.780 1.00 0.00 C ATOM 1117 C ASN A 70 -16.306 -2.417 3.555 1.00 0.00 C ATOM 1118 O ASN A 70 -16.607 -2.141 4.717 1.00 0.00 O ATOM 1119 CB ASN A 70 -16.700 -4.875 3.301 1.00 0.00 C ATOM 1120 CG ASN A 70 -17.569 -5.966 2.706 1.00 0.00 C ATOM 1121 OD1 ASN A 70 -18.588 -6.347 3.282 1.00 0.00 O ATOM 1122 ND2 ASN A 70 -17.168 -6.476 1.547 1.00 0.00 N ATOM 0 H ASN A 70 -15.810 -3.466 1.107 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.140 -3.322 2.930 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -15.655 -5.079 3.069 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -16.794 -4.891 4.387 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -17.712 -7.214 1.099 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -16.316 -6.130 1.105 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.313 -1.820 2.904 1.00 0.00 N ATOM 1130 CA LYS A 71 -14.503 -0.781 3.530 1.00 0.00 C ATOM 1131 C LYS A 71 -13.641 -0.067 2.494 1.00 0.00 C ATOM 1132 O LYS A 71 -13.436 -0.570 1.389 1.00 0.00 O ATOM 1133 CB LYS A 71 -13.615 -1.385 4.620 1.00 0.00 C ATOM 1134 CG LYS A 71 -12.533 -2.306 4.082 1.00 0.00 C ATOM 1135 CD LYS A 71 -13.010 -3.747 4.013 1.00 0.00 C ATOM 1136 CE LYS A 71 -12.339 -4.502 2.877 1.00 0.00 C ATOM 1137 NZ LYS A 71 -13.104 -4.385 1.604 1.00 0.00 N ATOM 0 H LYS A 71 -15.050 -2.038 1.943 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.176 -0.052 3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.146 -0.578 5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.240 -1.941 5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.232 -1.974 3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.651 -2.244 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.799 -4.247 4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.091 -3.767 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.330 -4.116 2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.242 -5.554 3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.564 -4.826 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.021 -4.866 1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.262 -3.381 1.385 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.136 1.107 2.859 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.294 1.890 1.962 1.00 0.00 C ATOM 1153 C HIS A 72 -10.936 1.220 1.769 1.00 0.00 C ATOM 1154 O HIS A 72 -10.011 1.433 2.553 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.104 3.304 2.510 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.332 3.865 3.159 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -14.223 4.685 2.499 1.00 0.00 N ATOM 1158 CD2 HIS A 72 -13.816 3.719 4.414 1.00 0.00 C ATOM 1159 CE1 HIS A 72 -15.202 5.020 3.322 1.00 0.00 C ATOM 1160 NE2 HIS A 72 -14.978 4.446 4.490 1.00 0.00 N ATOM 0 H HIS A 72 -13.295 1.537 3.770 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.793 1.948 0.994 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.290 3.297 3.235 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.800 3.962 1.696 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.371 3.138 5.208 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -16.042 5.655 3.080 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -15.572 4.529 5.315 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.825 0.409 0.722 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.582 -0.292 0.427 1.00 0.00 C ATOM 1171 C VAL A 73 -9.239 -0.202 -1.056 1.00 0.00 C ATOM 1172 O VAL A 73 -10.078 -0.472 -1.916 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.663 -1.776 0.834 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -10.860 -2.445 0.177 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -8.374 -2.498 0.473 1.00 0.00 C ATOM 0 H VAL A 73 -11.581 0.221 0.064 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.799 0.194 1.009 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.794 -1.832 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.901 -3.492 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.775 -1.942 0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.763 -2.381 -0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.449 -3.545 0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.210 -2.434 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.538 -2.033 0.995 1.00 0.00 H new ATOM 1185 N PHE A 74 -8.000 0.180 -1.349 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.545 0.307 -2.729 1.00 0.00 C ATOM 1187 C PHE A 74 -6.484 -0.741 -3.050 1.00 0.00 C ATOM 1188 O PHE A 74 -5.979 -1.422 -2.158 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.986 1.709 -2.977 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.872 2.084 -2.041 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -6.130 2.344 -0.705 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.567 2.177 -2.497 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -5.108 2.690 0.158 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.540 2.522 -1.639 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.811 2.778 -0.309 1.00 0.00 C ATOM 0 H PHE A 74 -7.293 0.407 -0.649 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.401 0.144 -3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.624 1.771 -4.003 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.792 2.436 -2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.142 2.275 -0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.350 1.977 -3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.323 2.892 1.197 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.527 2.591 -2.008 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.010 3.046 0.364 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.151 -0.864 -4.331 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.149 -1.827 -4.771 1.00 0.00 C ATOM 1207 C ALA A 75 -4.017 -1.136 -5.524 1.00 0.00 C ATOM 1208 O ALA A 75 -4.229 -0.117 -6.182 1.00 0.00 O ATOM 1209 CB ALA A 75 -5.791 -2.895 -5.643 1.00 0.00 C ATOM 0 H ALA A 75 -6.561 -0.309 -5.082 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.725 -2.302 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.031 -3.607 -5.964 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.560 -3.417 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.243 -2.427 -6.518 1.00 0.00 H new ATOM 1215 N ILE A 76 -2.817 -1.697 -5.423 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.652 -1.134 -6.095 1.00 0.00 C ATOM 1217 C ILE A 76 -0.977 -2.172 -6.985 1.00 0.00 C ATOM 1218 O ILE A 76 -0.537 -3.219 -6.512 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.624 -0.594 -5.084 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.159 0.668 -4.404 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.700 -0.309 -5.775 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.332 1.112 -3.218 1.00 0.00 C ATOM 0 H ILE A 76 -2.626 -2.541 -4.883 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.011 -0.309 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.456 -1.353 -4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.196 1.477 -5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.183 0.488 -4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.416 0.072 -5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.085 -1.228 -6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.549 0.434 -6.558 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.770 2.012 -2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.316 0.320 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.686 1.324 -3.544 1.00 0.00 H new ATOM 1234 N PHE A 77 -0.897 -1.873 -8.277 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.274 -2.779 -9.235 1.00 0.00 C ATOM 1236 C PHE A 77 0.964 -2.143 -9.860 1.00 0.00 C ATOM 1237 O PHE A 77 1.231 -0.958 -9.666 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.271 -3.163 -10.329 1.00 0.00 C ATOM 1239 CG PHE A 77 -1.642 -2.020 -11.231 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -0.890 -1.741 -12.361 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -2.742 -1.226 -10.949 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -1.229 -0.689 -13.192 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -3.085 -0.173 -11.776 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.328 0.095 -12.900 1.00 0.00 C ATOM 0 H PHE A 77 -1.256 -1.010 -8.685 1.00 0.00 H new ATOM 0 HA PHE A 77 0.032 -3.678 -8.700 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.846 -3.967 -10.930 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.175 -3.556 -9.864 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.030 -2.351 -12.595 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.338 -1.432 -10.073 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.635 -0.480 -14.069 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.944 0.439 -11.544 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.595 0.916 -13.549 1.00 0.00 H new ATOM 1254 N ASN A 78 1.717 -2.941 -10.611 1.00 0.00 N ATOM 1255 CA ASN A 78 2.928 -2.457 -11.264 1.00 0.00 C ATOM 1256 C ASN A 78 2.719 -2.325 -12.769 1.00 0.00 C ATOM 1257 O ASN A 78 2.511 -3.317 -13.468 1.00 0.00 O ATOM 1258 CB ASN A 78 4.098 -3.402 -10.981 1.00 0.00 C ATOM 1259 CG ASN A 78 5.402 -2.900 -11.570 1.00 0.00 C ATOM 1260 OD1 ASN A 78 5.420 -2.294 -12.641 1.00 0.00 O ATOM 1261 ND2 ASN A 78 6.502 -3.152 -10.870 1.00 0.00 N ATOM 0 H ASN A 78 1.510 -3.925 -10.782 1.00 0.00 H new ATOM 0 HA ASN A 78 3.160 -1.472 -10.860 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.212 -3.523 -9.904 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.873 -4.387 -11.390 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.409 -2.840 -11.216 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.440 -3.658 -9.987 1.00 0.00 H new ATOM 1268 N THR A 79 2.775 -1.092 -13.263 1.00 0.00 N ATOM 1269 CA THR A 79 2.591 -0.829 -14.685 1.00 0.00 C ATOM 1270 C THR A 79 3.286 -1.888 -15.534 1.00 0.00 C ATOM 1271 O THR A 79 2.732 -2.361 -16.526 1.00 0.00 O ATOM 1272 CB THR A 79 3.131 0.560 -15.074 1.00 0.00 C ATOM 1273 OG1 THR A 79 4.550 0.603 -14.889 1.00 0.00 O ATOM 1274 CG2 THR A 79 2.472 1.649 -14.241 1.00 0.00 C ATOM 0 H THR A 79 2.946 -0.260 -12.699 1.00 0.00 H new ATOM 0 HA THR A 79 1.518 -0.860 -14.876 1.00 0.00 H new ATOM 0 HB THR A 79 2.897 0.736 -16.124 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.886 1.489 -15.140 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.869 2.621 -14.533 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.395 1.632 -14.407 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.679 1.475 -13.185 1.00 0.00 H new ATOM 1282 N GLU A 80 4.500 -2.254 -15.138 1.00 0.00 N ATOM 1283 CA GLU A 80 5.270 -3.258 -15.864 1.00 0.00 C ATOM 1284 C GLU A 80 4.568 -4.612 -15.828 1.00 0.00 C ATOM 1285 O GLU A 80 3.527 -4.766 -15.190 1.00 0.00 O ATOM 1286 CB GLU A 80 6.675 -3.383 -15.271 1.00 0.00 C ATOM 1287 CG GLU A 80 7.445 -2.073 -15.249 1.00 0.00 C ATOM 1288 CD GLU A 80 7.760 -1.558 -16.640 1.00 0.00 C ATOM 1289 OE1 GLU A 80 7.721 -2.363 -17.594 1.00 0.00 O ATOM 1290 OE2 GLU A 80 8.046 -0.350 -16.774 1.00 0.00 O ATOM 0 H GLU A 80 4.972 -1.871 -14.319 1.00 0.00 H new ATOM 0 HA GLU A 80 5.350 -2.937 -16.903 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.598 -3.767 -14.254 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.239 -4.117 -15.847 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.864 -1.324 -14.711 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.375 -2.212 -14.698 1.00 0.00 H new ATOM 1297 N GLN A 81 5.146 -5.590 -16.518 1.00 0.00 N ATOM 1298 CA GLN A 81 4.576 -6.931 -16.566 1.00 0.00 C ATOM 1299 C GLN A 81 5.084 -7.781 -15.406 1.00 0.00 C ATOM 1300 O GLN A 81 5.440 -8.946 -15.586 1.00 0.00 O ATOM 1301 CB GLN A 81 4.918 -7.606 -17.896 1.00 0.00 C ATOM 1302 CG GLN A 81 6.411 -7.738 -18.145 1.00 0.00 C ATOM 1303 CD GLN A 81 6.979 -9.040 -17.614 1.00 0.00 C ATOM 1304 OE1 GLN A 81 7.908 -9.042 -16.806 1.00 0.00 O ATOM 1305 NE2 GLN A 81 6.421 -10.157 -18.067 1.00 0.00 N ATOM 0 H GLN A 81 6.008 -5.479 -17.051 1.00 0.00 H new ATOM 0 HA GLN A 81 3.493 -6.841 -16.480 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.466 -8.597 -17.918 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.472 -7.034 -18.709 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.604 -7.672 -19.216 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.929 -6.902 -17.675 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.653 -10.108 -18.736 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.761 -11.063 -17.745 1.00 0.00 H new ATOM 1314 N ARG A 82 5.116 -7.190 -14.216 1.00 0.00 N ATOM 1315 CA ARG A 82 5.582 -7.893 -13.026 1.00 0.00 C ATOM 1316 C ARG A 82 4.647 -7.644 -11.847 1.00 0.00 C ATOM 1317 O ARG A 82 3.738 -6.820 -11.926 1.00 0.00 O ATOM 1318 CB ARG A 82 7.002 -7.448 -12.669 1.00 0.00 C ATOM 1319 CG ARG A 82 7.130 -5.951 -12.434 1.00 0.00 C ATOM 1320 CD ARG A 82 8.362 -5.621 -11.606 1.00 0.00 C ATOM 1321 NE ARG A 82 9.599 -5.935 -12.316 1.00 0.00 N ATOM 1322 CZ ARG A 82 10.797 -5.516 -11.926 1.00 0.00 C ATOM 1323 NH1 ARG A 82 10.920 -4.770 -10.837 1.00 0.00 N ATOM 1324 NH2 ARG A 82 11.876 -5.844 -12.625 1.00 0.00 N ATOM 0 H ARG A 82 4.825 -6.227 -14.050 1.00 0.00 H new ATOM 0 HA ARG A 82 5.587 -8.961 -13.243 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.325 -7.977 -11.772 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.678 -7.740 -13.472 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.185 -5.434 -13.392 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.239 -5.584 -11.925 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.352 -4.562 -11.347 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.330 -6.179 -10.670 1.00 0.00 H new ATOM 0 HE ARG A 82 9.539 -6.508 -13.158 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.093 -4.517 -10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.842 -4.450 -10.540 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.786 -6.419 -13.463 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.796 -5.522 -12.324 1.00 0.00 H new ATOM 1338 N ASN A 83 4.879 -8.363 -10.753 1.00 0.00 N ATOM 1339 CA ASN A 83 4.056 -8.221 -9.557 1.00 0.00 C ATOM 1340 C ASN A 83 4.694 -7.248 -8.571 1.00 0.00 C ATOM 1341 O ASN A 83 5.877 -6.923 -8.679 1.00 0.00 O ATOM 1342 CB ASN A 83 3.853 -9.582 -8.888 1.00 0.00 C ATOM 1343 CG ASN A 83 5.114 -10.425 -8.896 1.00 0.00 C ATOM 1344 OD1 ASN A 83 5.185 -11.448 -9.576 1.00 0.00 O ATOM 1345 ND2 ASN A 83 6.116 -9.996 -8.138 1.00 0.00 N ATOM 0 H ASN A 83 5.629 -9.049 -10.670 1.00 0.00 H new ATOM 0 HA ASN A 83 3.087 -7.823 -9.858 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.526 -9.433 -7.859 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.056 -10.121 -9.401 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.990 -10.521 -8.103 1.00 0.00 H new ATOM 0 HD22 ASN A 83 6.012 -9.142 -7.591 1.00 0.00 H new ATOM 1352 N VAL A 84 3.903 -6.786 -7.607 1.00 0.00 N ATOM 1353 CA VAL A 84 4.390 -5.851 -6.600 1.00 0.00 C ATOM 1354 C VAL A 84 4.824 -6.583 -5.335 1.00 0.00 C ATOM 1355 O VAL A 84 5.712 -6.127 -4.615 1.00 0.00 O ATOM 1356 CB VAL A 84 3.316 -4.810 -6.234 1.00 0.00 C ATOM 1357 CG1 VAL A 84 2.950 -3.971 -7.449 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.085 -5.494 -5.659 1.00 0.00 C ATOM 0 H VAL A 84 2.922 -7.044 -7.503 1.00 0.00 H new ATOM 0 HA VAL A 84 5.249 -5.339 -7.033 1.00 0.00 H new ATOM 0 HB VAL A 84 3.724 -4.146 -5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.190 -3.241 -7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.836 -3.451 -7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.561 -4.619 -8.235 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.336 -4.743 -5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.673 -6.183 -6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.362 -6.047 -4.761 1.00 0.00 H new ATOM 1368 N TYR A 85 4.192 -7.721 -5.071 1.00 0.00 N ATOM 1369 CA TYR A 85 4.511 -8.517 -3.891 1.00 0.00 C ATOM 1370 C TYR A 85 5.040 -9.892 -4.288 1.00 0.00 C ATOM 1371 O TYR A 85 5.224 -10.182 -5.470 1.00 0.00 O ATOM 1372 CB TYR A 85 3.274 -8.670 -3.004 1.00 0.00 C ATOM 1373 CG TYR A 85 3.599 -8.846 -1.538 1.00 0.00 C ATOM 1374 CD1 TYR A 85 4.379 -7.915 -0.862 1.00 0.00 C ATOM 1375 CD2 TYR A 85 3.127 -9.943 -0.828 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.679 -8.072 0.477 1.00 0.00 C ATOM 1377 CE2 TYR A 85 3.421 -10.107 0.512 1.00 0.00 C ATOM 1378 CZ TYR A 85 4.197 -9.169 1.160 1.00 0.00 C ATOM 1379 OH TYR A 85 4.493 -9.329 2.494 1.00 0.00 O ATOM 0 H TYR A 85 3.456 -8.113 -5.658 1.00 0.00 H new ATOM 0 HA TYR A 85 5.289 -7.997 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.640 -7.792 -3.124 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.696 -9.529 -3.345 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.757 -7.054 -1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.520 -10.680 -1.332 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.288 -7.340 0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.045 -10.965 1.049 1.00 0.00 H new ATOM 0 HH TYR A 85 4.076 -10.152 2.825 1.00 0.00 H new ATOM 1389 N LYS A 86 5.283 -10.735 -3.290 1.00 0.00 N ATOM 1390 CA LYS A 86 5.789 -12.081 -3.532 1.00 0.00 C ATOM 1391 C LYS A 86 4.928 -12.810 -4.558 1.00 0.00 C ATOM 1392 O LYS A 86 5.396 -13.153 -5.643 1.00 0.00 O ATOM 1393 CB LYS A 86 5.827 -12.876 -2.224 1.00 0.00 C ATOM 1394 CG LYS A 86 7.125 -12.716 -1.452 1.00 0.00 C ATOM 1395 CD LYS A 86 6.984 -13.200 -0.019 1.00 0.00 C ATOM 1396 CE LYS A 86 8.027 -12.565 0.888 1.00 0.00 C ATOM 1397 NZ LYS A 86 9.358 -13.216 0.744 1.00 0.00 N ATOM 0 H LYS A 86 5.138 -10.510 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 86 6.801 -11.996 -3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.997 -12.560 -1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.674 -13.932 -2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.917 -13.276 -1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.425 -11.668 -1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.986 -12.963 0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.085 -14.285 0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.114 -11.504 0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.698 -12.636 1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.041 -12.754 1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.281 -14.223 0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.684 -13.126 -0.239 1.00 0.00 H new ATOM 1411 N ASP A 87 3.667 -13.042 -4.208 1.00 0.00 N ATOM 1412 CA ASP A 87 2.740 -13.729 -5.100 1.00 0.00 C ATOM 1413 C ASP A 87 1.401 -13.001 -5.156 1.00 0.00 C ATOM 1414 O ASP A 87 0.340 -13.625 -5.112 1.00 0.00 O ATOM 1415 CB ASP A 87 2.531 -15.172 -4.640 1.00 0.00 C ATOM 1416 CG ASP A 87 2.371 -15.284 -3.137 1.00 0.00 C ATOM 1417 OD1 ASP A 87 1.265 -14.996 -2.635 1.00 0.00 O ATOM 1418 OD2 ASP A 87 3.353 -15.659 -2.462 1.00 0.00 O ATOM 0 H ASP A 87 3.264 -12.764 -3.313 1.00 0.00 H new ATOM 0 HA ASP A 87 3.173 -13.734 -6.100 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.646 -15.581 -5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.379 -15.778 -4.958 1.00 0.00 H new ATOM 1423 N LEU A 88 1.456 -11.677 -5.251 1.00 0.00 N ATOM 1424 CA LEU A 88 0.247 -10.863 -5.312 1.00 0.00 C ATOM 1425 C LEU A 88 0.343 -9.828 -6.428 1.00 0.00 C ATOM 1426 O LEU A 88 1.243 -8.988 -6.434 1.00 0.00 O ATOM 1427 CB LEU A 88 0.012 -10.164 -3.972 1.00 0.00 C ATOM 1428 CG LEU A 88 0.151 -11.038 -2.725 1.00 0.00 C ATOM 1429 CD1 LEU A 88 0.157 -10.180 -1.470 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -0.971 -12.065 -2.666 1.00 0.00 C ATOM 0 H LEU A 88 2.325 -11.144 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.595 -11.522 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.714 -9.334 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.990 -9.734 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 88 1.101 -11.570 -2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.257 -10.819 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.995 -9.484 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.776 -9.621 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.856 -12.678 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.932 -11.552 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.929 -12.701 -3.550 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.591 -9.893 -7.371 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.612 -8.961 -8.492 1.00 0.00 C ATOM 1444 C ARG A 89 -0.745 -7.523 -8.001 1.00 0.00 C ATOM 1445 O ARG A 89 -0.162 -6.605 -8.576 1.00 0.00 O ATOM 1446 CB ARG A 89 -1.766 -9.296 -9.439 1.00 0.00 C ATOM 1447 CG ARG A 89 -1.610 -8.693 -10.826 1.00 0.00 C ATOM 1448 CD ARG A 89 -2.960 -8.413 -11.467 1.00 0.00 C ATOM 1449 NE ARG A 89 -2.844 -7.530 -12.624 1.00 0.00 N ATOM 1450 CZ ARG A 89 -3.888 -7.060 -13.298 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -5.119 -7.387 -12.931 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -3.701 -6.261 -14.341 1.00 0.00 N ATOM 0 H ARG A 89 -1.343 -10.582 -7.381 1.00 0.00 H new ATOM 0 HA ARG A 89 0.331 -9.057 -9.030 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.848 -10.379 -9.530 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.699 -8.942 -9.001 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.039 -7.767 -10.759 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.040 -9.374 -11.458 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.418 -9.354 -11.773 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.624 -7.960 -10.731 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.910 -7.259 -12.932 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.266 -8.001 -12.130 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.919 -7.025 -13.450 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.755 -6.007 -14.626 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.503 -5.901 -14.858 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.516 -7.336 -6.934 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.726 -6.009 -6.367 1.00 0.00 C ATOM 1468 C GLN A 90 -2.007 -6.095 -4.870 1.00 0.00 C ATOM 1469 O GLN A 90 -2.872 -6.855 -4.434 1.00 0.00 O ATOM 1470 CB GLN A 90 -2.885 -5.306 -7.076 1.00 0.00 C ATOM 1471 CG GLN A 90 -4.179 -6.105 -7.066 1.00 0.00 C ATOM 1472 CD GLN A 90 -5.264 -5.469 -7.913 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -5.018 -5.050 -9.044 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -6.472 -5.394 -7.368 1.00 0.00 N ATOM 0 H GLN A 90 -2.005 -8.086 -6.445 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.814 -5.430 -6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.060 -4.341 -6.600 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.600 -5.105 -8.109 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.982 -7.113 -7.431 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.534 -6.202 -6.040 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.630 -5.754 -6.427 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.242 -4.976 -7.890 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.270 -5.313 -4.090 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.440 -5.301 -2.642 1.00 0.00 C ATOM 1485 C ILE A 91 -2.573 -4.367 -2.230 1.00 0.00 C ATOM 1486 O ILE A 91 -2.463 -3.148 -2.358 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.147 -4.867 -1.926 1.00 0.00 C ATOM 1488 CG1 ILE A 91 0.984 -5.853 -2.228 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.381 -4.764 -0.427 1.00 0.00 C ATOM 1490 CD1 ILE A 91 2.364 -5.280 -1.993 1.00 0.00 C ATOM 0 H ILE A 91 -0.549 -4.679 -4.436 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.685 -6.321 -2.345 1.00 0.00 H new ATOM 0 HB ILE A 91 0.144 -3.884 -2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.857 -6.740 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.906 -6.176 -3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.542 -4.456 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.160 -4.028 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.693 -5.734 -0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.116 -6.034 -2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.511 -4.410 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.461 -4.983 -0.949 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.660 -4.948 -1.733 1.00 0.00 N ATOM 1503 CA GLU A 92 -4.813 -4.167 -1.300 1.00 0.00 C ATOM 1504 C GLU A 92 -4.580 -3.574 0.086 1.00 0.00 C ATOM 1505 O GLU A 92 -4.115 -4.260 0.997 1.00 0.00 O ATOM 1506 CB GLU A 92 -6.072 -5.037 -1.290 1.00 0.00 C ATOM 1507 CG GLU A 92 -6.421 -5.620 -2.649 1.00 0.00 C ATOM 1508 CD GLU A 92 -7.474 -6.707 -2.564 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -8.414 -6.562 -1.756 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -7.357 -7.705 -3.307 1.00 0.00 O ATOM 0 H GLU A 92 -3.767 -5.956 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.951 -3.349 -2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.934 -5.852 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.912 -4.441 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.779 -4.823 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.520 -6.027 -3.108 1.00 0.00 H new ATOM 1517 N LEU A 93 -4.905 -2.295 0.238 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.730 -1.607 1.513 1.00 0.00 C ATOM 1519 C LEU A 93 -6.042 -0.982 1.979 1.00 0.00 C ATOM 1520 O LEU A 93 -6.607 -0.125 1.301 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.653 -0.528 1.390 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.286 -0.998 0.893 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.486 0.173 0.344 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.521 -1.691 2.012 1.00 0.00 C ATOM 0 H LEU A 93 -5.291 -1.713 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.415 -2.342 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.017 0.245 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.522 -0.061 2.366 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.441 -1.715 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.516 -0.181 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.027 0.626 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.341 0.914 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.550 -2.019 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.377 -0.996 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.087 -2.555 2.359 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.519 -1.417 3.140 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.761 -0.897 3.698 1.00 0.00 C ATOM 1538 C ALA A 94 -7.484 0.147 4.775 1.00 0.00 C ATOM 1539 O ALA A 94 -6.443 0.115 5.431 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.601 -2.033 4.265 1.00 0.00 C ATOM 0 H ALA A 94 -6.064 -2.128 3.713 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.317 -0.414 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.526 -1.630 4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.837 -2.742 3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.043 -2.541 5.051 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.422 1.072 4.950 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.278 2.127 5.946 1.00 0.00 C ATOM 1548 C CYS A 95 -9.505 2.192 6.850 1.00 0.00 C ATOM 1549 O CYS A 95 -10.492 1.492 6.625 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.062 3.478 5.261 1.00 0.00 C ATOM 1551 SG CYS A 95 -6.585 3.550 4.220 1.00 0.00 S ATOM 0 H CYS A 95 -9.290 1.112 4.415 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.408 1.896 6.561 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -8.935 3.707 4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -7.994 4.253 6.024 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.490 4.730 3.683 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.434 3.035 7.874 1.00 0.00 N ATOM 1558 CA ASP A 96 -10.538 3.191 8.814 1.00 0.00 C ATOM 1559 C ASP A 96 -11.715 3.905 8.155 1.00 0.00 C ATOM 1560 O ASP A 96 -12.872 3.544 8.370 1.00 0.00 O ATOM 1561 CB ASP A 96 -10.080 3.970 10.048 1.00 0.00 C ATOM 1562 CG ASP A 96 -11.136 4.007 11.135 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -11.569 2.923 11.579 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -11.531 5.120 11.541 1.00 0.00 O ATOM 0 H ASP A 96 -8.624 3.621 8.074 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.864 2.197 9.122 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.171 3.516 10.444 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.827 4.989 9.757 1.00 0.00 H new ATOM 1569 N SER A 97 -11.411 4.920 7.353 1.00 0.00 N ATOM 1570 CA SER A 97 -12.444 5.688 6.667 1.00 0.00 C ATOM 1571 C SER A 97 -11.856 6.457 5.488 1.00 0.00 C ATOM 1572 O SER A 97 -10.641 6.625 5.387 1.00 0.00 O ATOM 1573 CB SER A 97 -13.118 6.659 7.638 1.00 0.00 C ATOM 1574 OG SER A 97 -14.467 6.892 7.273 1.00 0.00 O ATOM 0 H SER A 97 -10.458 5.230 7.162 1.00 0.00 H new ATOM 0 HA SER A 97 -13.189 4.989 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.076 6.254 8.649 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.573 7.603 7.650 1.00 0.00 H new ATOM 0 HG SER A 97 -14.876 7.514 7.910 1.00 0.00 H new ATOM 1580 N GLN A 98 -12.728 6.921 4.598 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.296 7.671 3.425 1.00 0.00 C ATOM 1582 C GLN A 98 -11.209 8.676 3.792 1.00 0.00 C ATOM 1583 O GLN A 98 -10.213 8.814 3.082 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.484 8.396 2.791 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.095 9.315 1.644 1.00 0.00 C ATOM 1586 CD GLN A 98 -12.668 8.553 0.405 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -13.424 8.441 -0.560 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -11.450 8.024 0.426 1.00 0.00 N ATOM 0 H GLN A 98 -13.737 6.791 4.667 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.884 6.964 2.704 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.198 7.657 2.427 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -13.993 8.981 3.557 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -13.939 9.959 1.397 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.281 9.965 1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -10.857 8.142 1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.108 7.500 -0.379 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.408 9.376 4.905 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.444 10.369 5.364 1.00 0.00 C ATOM 1599 C GLU A 99 -9.016 9.856 5.204 1.00 0.00 C ATOM 1600 O GLU A 99 -8.150 10.553 4.674 1.00 0.00 O ATOM 1601 CB GLU A 99 -10.707 10.729 6.828 1.00 0.00 C ATOM 1602 CG GLU A 99 -11.704 11.862 7.007 1.00 0.00 C ATOM 1603 CD GLU A 99 -11.264 13.139 6.317 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -10.333 13.797 6.827 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -11.851 13.480 5.269 1.00 0.00 O ATOM 0 H GLU A 99 -12.227 9.274 5.504 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.562 11.262 4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.076 9.846 7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -9.765 11.008 7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.672 11.555 6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -11.841 12.056 8.071 1.00 0.00 H new ATOM 1612 N ASP A 100 -8.777 8.634 5.666 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.455 8.026 5.575 1.00 0.00 C ATOM 1614 C ASP A 100 -7.027 7.873 4.118 1.00 0.00 C ATOM 1615 O ASP A 100 -6.017 8.436 3.695 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.448 6.662 6.267 1.00 0.00 C ATOM 1617 CG ASP A 100 -7.090 6.761 7.737 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -8.003 7.005 8.554 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -5.898 6.596 8.071 1.00 0.00 O ATOM 0 H ASP A 100 -9.482 8.044 6.108 1.00 0.00 H new ATOM 0 HA ASP A 100 -6.745 8.683 6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.431 6.201 6.165 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.735 6.007 5.766 1.00 0.00 H new ATOM 1624 N VAL A 101 -7.801 7.107 3.357 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.502 6.880 1.948 1.00 0.00 C ATOM 1626 C VAL A 101 -7.194 8.190 1.233 1.00 0.00 C ATOM 1627 O VAL A 101 -6.069 8.415 0.784 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.673 6.180 1.231 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.353 5.976 -0.241 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -8.993 4.854 1.905 1.00 0.00 C ATOM 0 H VAL A 101 -8.640 6.633 3.692 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.625 6.234 1.911 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.553 6.819 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.191 5.480 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.178 6.943 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.460 5.358 -0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.822 4.373 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.117 4.206 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.269 5.031 2.944 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.199 9.053 1.131 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.035 10.343 0.472 1.00 0.00 C ATOM 1642 C ASP A 102 -6.651 10.922 0.746 1.00 0.00 C ATOM 1643 O ASP A 102 -5.965 11.378 -0.169 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.113 11.321 0.943 1.00 0.00 C ATOM 1645 CG ASP A 102 -9.173 12.572 0.089 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -8.133 13.249 -0.045 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -10.261 12.874 -0.445 1.00 0.00 O ATOM 0 H ASP A 102 -9.136 8.882 1.496 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.138 10.190 -0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.083 10.825 0.924 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.918 11.600 1.978 1.00 0.00 H new ATOM 1652 N SER A 103 -6.246 10.901 2.012 1.00 0.00 N ATOM 1653 CA SER A 103 -4.945 11.428 2.408 1.00 0.00 C ATOM 1654 C SER A 103 -3.817 10.580 1.830 1.00 0.00 C ATOM 1655 O SER A 103 -2.874 11.104 1.237 1.00 0.00 O ATOM 1656 CB SER A 103 -4.833 11.474 3.933 1.00 0.00 C ATOM 1657 OG SER A 103 -3.878 12.437 4.345 1.00 0.00 O ATOM 0 H SER A 103 -6.800 10.525 2.781 1.00 0.00 H new ATOM 0 HA SER A 103 -4.855 12.440 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.805 11.713 4.365 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.549 10.491 4.310 1.00 0.00 H new ATOM 0 HG SER A 103 -3.826 12.448 5.324 1.00 0.00 H new ATOM 1663 N TRP A 104 -3.921 9.268 2.006 1.00 0.00 N ATOM 1664 CA TRP A 104 -2.910 8.346 1.502 1.00 0.00 C ATOM 1665 C TRP A 104 -2.702 8.533 0.003 1.00 0.00 C ATOM 1666 O TRP A 104 -1.578 8.736 -0.458 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.315 6.901 1.797 1.00 0.00 C ATOM 1668 CG TRP A 104 -2.946 6.451 3.178 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.800 6.204 4.215 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.627 6.197 3.673 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -3.091 5.812 5.325 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.756 5.798 5.018 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.349 6.265 3.111 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.656 5.471 5.807 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.741 5.940 3.895 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.583 5.547 5.230 1.00 0.00 C ATOM 0 H TRP A 104 -4.696 8.818 2.494 1.00 0.00 H new ATOM 0 HA TRP A 104 -1.970 8.563 2.010 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.392 6.799 1.665 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -2.841 6.243 1.069 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.875 6.302 4.169 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.493 5.571 6.231 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.216 6.566 2.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.776 5.168 6.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.733 5.990 3.471 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.456 5.299 5.816 1.00 0.00 H new ATOM 1687 N LYS A 105 -3.791 8.462 -0.754 1.00 0.00 N ATOM 1688 CA LYS A 105 -3.729 8.625 -2.202 1.00 0.00 C ATOM 1689 C LYS A 105 -3.084 9.957 -2.572 1.00 0.00 C ATOM 1690 O LYS A 105 -2.050 9.991 -3.240 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.133 8.541 -2.806 1.00 0.00 C ATOM 1692 CG LYS A 105 -5.767 7.166 -2.683 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.168 7.144 -3.270 1.00 0.00 C ATOM 1694 CE LYS A 105 -7.523 5.768 -3.812 1.00 0.00 C ATOM 1695 NZ LYS A 105 -8.975 5.652 -4.122 1.00 0.00 N ATOM 0 H LYS A 105 -4.728 8.293 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.117 7.819 -2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.775 9.273 -2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.083 8.816 -3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.146 6.431 -3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.807 6.875 -1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.889 7.432 -2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.240 7.881 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.942 5.572 -4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.245 5.007 -3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.177 4.700 -4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.529 5.814 -3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.235 6.361 -4.837 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.699 11.050 -2.134 1.00 0.00 N ATOM 1710 CA ALA A 106 -3.182 12.383 -2.417 1.00 0.00 C ATOM 1711 C ALA A 106 -1.675 12.446 -2.195 1.00 0.00 C ATOM 1712 O ALA A 106 -0.958 13.130 -2.926 1.00 0.00 O ATOM 1713 CB ALA A 106 -3.888 13.417 -1.553 1.00 0.00 C ATOM 0 H ALA A 106 -4.556 11.039 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.378 12.607 -3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.492 14.408 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.957 13.398 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.721 13.187 -0.501 1.00 0.00 H new ATOM 1719 N SER A 107 -1.200 11.728 -1.182 1.00 0.00 N ATOM 1720 CA SER A 107 0.222 11.706 -0.861 1.00 0.00 C ATOM 1721 C SER A 107 1.017 11.015 -1.965 1.00 0.00 C ATOM 1722 O SER A 107 2.072 11.496 -2.380 1.00 0.00 O ATOM 1723 CB SER A 107 0.455 10.995 0.473 1.00 0.00 C ATOM 1724 OG SER A 107 -0.131 11.714 1.544 1.00 0.00 O ATOM 0 H SER A 107 -1.779 11.154 -0.570 1.00 0.00 H new ATOM 0 HA SER A 107 0.567 12.737 -0.779 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.034 9.991 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.525 10.885 0.648 1.00 0.00 H new ATOM 0 HG SER A 107 -1.101 11.577 1.538 1.00 0.00 H new ATOM 1730 N PHE A 108 0.504 9.884 -2.435 1.00 0.00 N ATOM 1731 CA PHE A 108 1.165 9.124 -3.490 1.00 0.00 C ATOM 1732 C PHE A 108 1.413 9.999 -4.716 1.00 0.00 C ATOM 1733 O PHE A 108 2.477 9.935 -5.333 1.00 0.00 O ATOM 1734 CB PHE A 108 0.321 7.909 -3.879 1.00 0.00 C ATOM 1735 CG PHE A 108 0.630 6.681 -3.071 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.681 5.850 -3.424 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.130 6.358 -1.958 1.00 0.00 C ATOM 1738 CE1 PHE A 108 1.967 4.719 -2.682 1.00 0.00 C ATOM 1739 CE2 PHE A 108 0.152 5.228 -1.213 1.00 0.00 C ATOM 1740 CZ PHE A 108 1.202 4.409 -1.575 1.00 0.00 C ATOM 0 H PHE A 108 -0.368 9.473 -2.102 1.00 0.00 H new ATOM 0 HA PHE A 108 2.127 8.782 -3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.734 8.156 -3.760 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.480 7.689 -4.935 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.283 6.088 -4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -0.952 6.996 -1.669 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.788 4.078 -2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.449 4.987 -0.349 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.425 3.527 -0.993 1.00 0.00 H new ATOM 1750 N LEU A 109 0.424 10.814 -5.063 1.00 0.00 N ATOM 1751 CA LEU A 109 0.533 11.702 -6.215 1.00 0.00 C ATOM 1752 C LEU A 109 1.742 12.622 -6.082 1.00 0.00 C ATOM 1753 O LEU A 109 2.522 12.780 -7.022 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.741 12.535 -6.365 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.881 11.883 -7.149 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -2.798 11.110 -6.214 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -2.666 12.933 -7.921 1.00 0.00 C ATOM 0 H LEU A 109 -0.463 10.879 -4.563 1.00 0.00 H new ATOM 0 HA LEU A 109 0.664 11.086 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.108 12.784 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.482 13.474 -6.853 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.450 11.182 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.603 10.653 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.228 10.332 -5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.221 11.790 -5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.473 12.451 -8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.086 13.659 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.002 13.443 -8.620 1.00 0.00 H new ATOM 1769 N ARG A 110 1.894 13.225 -4.907 1.00 0.00 N ATOM 1770 CA ARG A 110 3.009 14.128 -4.650 1.00 0.00 C ATOM 1771 C ARG A 110 4.342 13.440 -4.931 1.00 0.00 C ATOM 1772 O ARG A 110 5.291 14.071 -5.395 1.00 0.00 O ATOM 1773 CB ARG A 110 2.972 14.619 -3.201 1.00 0.00 C ATOM 1774 CG ARG A 110 1.642 15.238 -2.802 1.00 0.00 C ATOM 1775 CD ARG A 110 1.820 16.287 -1.715 1.00 0.00 C ATOM 1776 NE ARG A 110 0.613 16.451 -0.910 1.00 0.00 N ATOM 1777 CZ ARG A 110 0.455 17.415 -0.010 1.00 0.00 C ATOM 1778 NH1 ARG A 110 1.423 18.298 0.198 1.00 0.00 N ATOM 1779 NH2 ARG A 110 -0.673 17.499 0.684 1.00 0.00 N ATOM 0 H ARG A 110 1.259 13.104 -4.118 1.00 0.00 H new ATOM 0 HA ARG A 110 2.913 14.983 -5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.187 13.782 -2.537 1.00 0.00 H new ATOM 0 HB3 ARG A 110 3.764 15.354 -3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.175 15.693 -3.675 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.967 14.458 -2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.651 16.002 -1.069 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.084 17.241 -2.172 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.151 15.789 -1.046 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.291 18.238 -0.334 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.299 19.037 0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.420 16.823 0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.793 18.240 1.375 1.00 0.00 H new ATOM 1793 N ALA A 111 4.404 12.143 -4.646 1.00 0.00 N ATOM 1794 CA ALA A 111 5.619 11.370 -4.869 1.00 0.00 C ATOM 1795 C ALA A 111 5.859 11.142 -6.358 1.00 0.00 C ATOM 1796 O ALA A 111 7.001 11.040 -6.804 1.00 0.00 O ATOM 1797 CB ALA A 111 5.540 10.039 -4.136 1.00 0.00 C ATOM 0 H ALA A 111 3.627 11.606 -4.260 1.00 0.00 H new ATOM 0 HA ALA A 111 6.460 11.940 -4.475 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.454 9.472 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.424 10.219 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.685 9.471 -4.503 1.00 0.00 H new ATOM 1803 N GLY A 112 4.774 11.063 -7.123 1.00 0.00 N ATOM 1804 CA GLY A 112 4.889 10.847 -8.553 1.00 0.00 C ATOM 1805 C GLY A 112 4.200 9.575 -9.004 1.00 0.00 C ATOM 1806 O GLY A 112 4.673 8.893 -9.914 1.00 0.00 O ATOM 0 H GLY A 112 3.818 11.145 -6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.458 11.697 -9.082 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.943 10.802 -8.827 1.00 0.00 H new ATOM 1810 N VAL A 113 3.079 9.252 -8.366 1.00 0.00 N ATOM 1811 CA VAL A 113 2.324 8.052 -8.707 1.00 0.00 C ATOM 1812 C VAL A 113 0.934 8.406 -9.224 1.00 0.00 C ATOM 1813 O VAL A 113 0.077 8.864 -8.468 1.00 0.00 O ATOM 1814 CB VAL A 113 2.185 7.113 -7.494 1.00 0.00 C ATOM 1815 CG1 VAL A 113 1.467 5.832 -7.890 1.00 0.00 C ATOM 1816 CG2 VAL A 113 3.551 6.807 -6.899 1.00 0.00 C ATOM 0 H VAL A 113 2.674 9.805 -7.610 1.00 0.00 H new ATOM 0 HA VAL A 113 2.881 7.540 -9.492 1.00 0.00 H new ATOM 0 HB VAL A 113 1.587 7.615 -6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.378 5.181 -7.020 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.473 6.073 -8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.035 5.322 -8.668 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.434 6.142 -6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.175 6.324 -7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.023 7.735 -6.576 1.00 0.00 H new TER 1826 VAL A 113