USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 863 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -1.06 (180deg=-1.12) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot 18:sc= -0.103 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 121:sc= 1.88 USER MOD Single : A 8 ASN : amide:sc= -0.0876 K(o=-0.088,f=-4.4!) USER MOD Single : A 10 SER OG : rot -7:sc= 0.389 USER MOD Single : A 11 MET CE :methyl 172:sc= -0.92 (180deg=-0.953) USER MOD Single : A 14 SER OG : rot -26:sc= 0.272 USER MOD Single : A 15 HIS : no HD1:sc= -0.0938 X(o=-0.094,f=-0.41) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 29:sc= 0.0947 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -107:sc= 0.305 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -15:sc= -1.16 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -136:sc= -0.194 (180deg=-1.91) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 56:sc= 0.543 USER MOD Single : A 59 MET CE :methyl -171:sc= 0 (180deg=-0.152) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0294 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -171:sc=-0.00599 (180deg=-0.119) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc=-0.00219 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.148 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 88 MET CE :methyl -169:sc= -1.93 (180deg=-2.2) USER MOD Single : A 89 LYS NZ :NH3+ 163:sc= -0.0434 (180deg=-0.285) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -141:sc= -0.19 (180deg=-1.69!) USER MOD Single : A 95 THR OG1 : rot 84:sc= 0.775 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 102 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0906) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.814 0.173 0.226 1.00 0.00 N ATOM 2 CA MET A 1 1.867 0.679 -0.648 1.00 0.00 C ATOM 3 C MET A 1 1.350 0.863 -2.071 1.00 0.00 C ATOM 4 O MET A 1 2.090 0.683 -3.039 1.00 0.00 O ATOM 5 CB MET A 1 3.063 -0.274 -0.645 1.00 0.00 C ATOM 6 CG MET A 1 2.750 -1.643 -1.228 1.00 0.00 C ATOM 7 SD MET A 1 4.234 -2.556 -1.693 1.00 0.00 S ATOM 8 CE MET A 1 3.790 -4.212 -1.175 1.00 0.00 C ATOM 0 H1 MET A 1 1.193 0.040 1.185 1.00 0.00 H new ATOM 0 H2 MET A 1 0.030 0.855 0.256 1.00 0.00 H new ATOM 0 H3 MET A 1 0.467 -0.737 -0.139 1.00 0.00 H new ATOM 0 HA MET A 1 2.185 1.650 -0.268 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.877 0.176 -1.213 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.417 -0.396 0.379 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.185 -2.223 -0.499 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.112 -1.523 -2.104 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.610 -4.895 -1.397 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.593 -4.217 -0.103 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.896 -4.533 -1.709 1.00 0.00 H new ATOM 18 N THR A 2 0.076 1.222 -2.192 1.00 0.00 N ATOM 19 CA THR A 2 -0.539 1.428 -3.497 1.00 0.00 C ATOM 20 C THR A 2 -0.407 2.879 -3.944 1.00 0.00 C ATOM 21 O THR A 2 -0.397 3.795 -3.120 1.00 0.00 O ATOM 22 CB THR A 2 -2.030 1.042 -3.483 1.00 0.00 C ATOM 23 OG1 THR A 2 -2.528 0.961 -4.823 1.00 0.00 O ATOM 24 CG2 THR A 2 -2.845 2.056 -2.694 1.00 0.00 C ATOM 0 H THR A 2 -0.550 1.376 -1.402 1.00 0.00 H new ATOM 0 HA THR A 2 -0.011 0.784 -4.200 1.00 0.00 H new ATOM 0 HB THR A 2 -2.126 0.069 -3.001 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.476 0.713 -4.805 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.895 1.762 -2.698 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.483 2.093 -1.667 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.742 3.040 -3.151 1.00 0.00 H new ATOM 32 N LEU A 3 -0.305 3.083 -5.253 1.00 0.00 N ATOM 33 CA LEU A 3 -0.174 4.425 -5.810 1.00 0.00 C ATOM 34 C LEU A 3 -1.475 4.871 -6.469 1.00 0.00 C ATOM 35 O LEU A 3 -2.128 4.093 -7.166 1.00 0.00 O ATOM 36 CB LEU A 3 0.967 4.466 -6.829 1.00 0.00 C ATOM 37 CG LEU A 3 2.363 4.728 -6.263 1.00 0.00 C ATOM 38 CD1 LEU A 3 3.429 4.393 -7.295 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.493 6.174 -5.810 1.00 0.00 C ATOM 0 H LEU A 3 -0.310 2.337 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 3 0.051 5.110 -4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.985 3.516 -7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.744 5.239 -7.564 1.00 0.00 H new ATOM 0 HG LEU A 3 2.509 4.083 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.416 4.586 -6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.351 3.341 -7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.285 5.012 -8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.493 6.342 -5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.326 6.838 -6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.754 6.381 -5.036 1.00 0.00 H new ATOM 51 N CYS A 4 -1.845 6.127 -6.245 1.00 0.00 N ATOM 52 CA CYS A 4 -3.068 6.678 -6.818 1.00 0.00 C ATOM 53 C CYS A 4 -2.823 8.072 -7.386 1.00 0.00 C ATOM 54 O CYS A 4 -1.983 8.819 -6.884 1.00 0.00 O ATOM 55 CB CYS A 4 -4.172 6.731 -5.761 1.00 0.00 C ATOM 56 SG CYS A 4 -3.900 7.967 -4.471 1.00 0.00 S ATOM 0 H CYS A 4 -1.316 6.783 -5.671 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.385 6.025 -7.631 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.122 6.939 -6.253 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.262 5.749 -5.296 1.00 0.00 H new ATOM 0 HG CYS A 4 -3.020 8.833 -4.878 1.00 0.00 H new ATOM 62 N ALA A 5 -3.561 8.416 -8.436 1.00 0.00 N ATOM 63 CA ALA A 5 -3.424 9.720 -9.072 1.00 0.00 C ATOM 64 C ALA A 5 -4.739 10.490 -9.034 1.00 0.00 C ATOM 65 O ALA A 5 -5.807 9.905 -8.854 1.00 0.00 O ATOM 66 CB ALA A 5 -2.945 9.560 -10.508 1.00 0.00 C ATOM 0 H ALA A 5 -4.260 7.809 -8.864 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.682 10.292 -8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.847 10.542 -10.971 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.978 9.058 -10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.667 8.965 -11.068 1.00 0.00 H new ATOM 72 N MET A 6 -4.655 11.806 -9.203 1.00 0.00 N ATOM 73 CA MET A 6 -5.840 12.656 -9.188 1.00 0.00 C ATOM 74 C MET A 6 -6.087 13.268 -10.563 1.00 0.00 C ATOM 75 O MET A 6 -5.179 13.830 -11.175 1.00 0.00 O ATOM 76 CB MET A 6 -5.686 13.764 -8.144 1.00 0.00 C ATOM 77 CG MET A 6 -5.902 13.288 -6.716 1.00 0.00 C ATOM 78 SD MET A 6 -7.648 13.124 -6.296 1.00 0.00 S ATOM 79 CE MET A 6 -7.553 12.043 -4.871 1.00 0.00 C ATOM 0 H MET A 6 -3.779 12.307 -9.352 1.00 0.00 H new ATOM 0 HA MET A 6 -6.698 12.037 -8.926 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.688 14.195 -8.228 1.00 0.00 H new ATOM 0 HB3 MET A 6 -6.397 14.561 -8.364 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.407 12.326 -6.579 1.00 0.00 H new ATOM 0 HG3 MET A 6 -5.431 13.990 -6.028 1.00 0.00 H new ATOM 0 HE1 MET A 6 -8.557 11.847 -4.495 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.084 11.102 -5.159 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.960 12.521 -4.091 1.00 0.00 H new ATOM 89 N TYR A 7 -7.321 13.155 -11.042 1.00 0.00 N ATOM 90 CA TYR A 7 -7.687 13.695 -12.346 1.00 0.00 C ATOM 91 C TYR A 7 -8.721 14.807 -12.205 1.00 0.00 C ATOM 92 O TYR A 7 -9.891 14.551 -11.925 1.00 0.00 O ATOM 93 CB TYR A 7 -8.235 12.585 -13.245 1.00 0.00 C ATOM 94 CG TYR A 7 -7.958 12.805 -14.715 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.402 13.951 -15.363 1.00 0.00 C ATOM 96 CD2 TYR A 7 -7.251 11.866 -15.457 1.00 0.00 C ATOM 97 CE1 TYR A 7 -8.152 14.156 -16.706 1.00 0.00 C ATOM 98 CE2 TYR A 7 -6.995 12.063 -16.800 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.448 13.209 -17.420 1.00 0.00 C ATOM 100 OH TYR A 7 -7.195 13.409 -18.758 1.00 0.00 O ATOM 0 H TYR A 7 -8.085 12.694 -10.547 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.790 14.114 -12.802 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.799 11.634 -12.940 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.312 12.505 -13.095 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.953 14.695 -14.807 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.896 10.967 -14.975 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.506 15.052 -17.194 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.443 11.324 -17.362 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.227 13.400 -18.913 1.00 0.00 H new ATOM 110 N ASN A 8 -8.279 16.045 -12.400 1.00 0.00 N ATOM 111 CA ASN A 8 -9.165 17.199 -12.295 1.00 0.00 C ATOM 112 C ASN A 8 -9.730 17.577 -13.661 1.00 0.00 C ATOM 113 O ASN A 8 -9.045 18.192 -14.479 1.00 0.00 O ATOM 114 CB ASN A 8 -8.416 18.390 -11.693 1.00 0.00 C ATOM 115 CG ASN A 8 -9.337 19.553 -11.379 1.00 0.00 C ATOM 116 OD1 ASN A 8 -10.510 19.361 -11.057 1.00 0.00 O ATOM 117 ND2 ASN A 8 -8.809 20.768 -11.472 1.00 0.00 N ATOM 0 H ASN A 8 -7.313 16.275 -12.632 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.994 16.931 -11.640 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.910 18.074 -10.781 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.644 18.719 -12.388 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.381 21.589 -11.273 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.832 20.880 -11.742 1.00 0.00 H new ATOM 124 N ILE A 9 -10.983 17.206 -13.900 1.00 0.00 N ATOM 125 CA ILE A 9 -11.641 17.508 -15.165 1.00 0.00 C ATOM 126 C ILE A 9 -12.688 18.602 -14.993 1.00 0.00 C ATOM 127 O ILE A 9 -13.548 18.521 -14.116 1.00 0.00 O ATOM 128 CB ILE A 9 -12.314 16.258 -15.762 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.938 16.587 -17.119 1.00 0.00 C ATOM 130 CG2 ILE A 9 -13.367 15.716 -14.806 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.610 15.403 -17.779 1.00 0.00 C ATOM 0 H ILE A 9 -11.563 16.696 -13.234 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.866 17.855 -15.848 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.555 15.490 -15.909 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.670 17.384 -16.989 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.163 16.971 -17.783 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.834 14.833 -15.242 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.896 15.448 -13.860 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.126 16.478 -14.631 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.030 15.710 -18.737 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.877 14.612 -17.941 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.408 15.032 -17.135 1.00 0.00 H new ATOM 143 N SER A 10 -12.611 19.626 -15.838 1.00 0.00 N ATOM 144 CA SER A 10 -13.552 20.739 -15.778 1.00 0.00 C ATOM 145 C SER A 10 -14.063 21.093 -17.171 1.00 0.00 C ATOM 146 O SER A 10 -13.327 21.637 -17.994 1.00 0.00 O ATOM 147 CB SER A 10 -12.889 21.961 -15.139 1.00 0.00 C ATOM 148 OG SER A 10 -13.857 22.911 -14.730 1.00 0.00 O ATOM 0 H SER A 10 -11.907 19.708 -16.572 1.00 0.00 H new ATOM 0 HA SER A 10 -14.400 20.433 -15.166 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.296 21.649 -14.280 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.203 22.420 -15.851 1.00 0.00 H new ATOM 0 HG SER A 10 -14.743 22.631 -15.042 1.00 0.00 H new ATOM 154 N MET A 11 -15.329 20.781 -17.427 1.00 0.00 N ATOM 155 CA MET A 11 -15.940 21.067 -18.720 1.00 0.00 C ATOM 156 C MET A 11 -16.094 22.570 -18.927 1.00 0.00 C ATOM 157 O MET A 11 -16.265 23.324 -17.970 1.00 0.00 O ATOM 158 CB MET A 11 -17.304 20.383 -18.826 1.00 0.00 C ATOM 159 CG MET A 11 -17.760 20.155 -20.258 1.00 0.00 C ATOM 160 SD MET A 11 -18.821 21.480 -20.868 1.00 0.00 S ATOM 161 CE MET A 11 -19.434 20.751 -22.385 1.00 0.00 C ATOM 0 H MET A 11 -15.952 20.330 -16.757 1.00 0.00 H new ATOM 0 HA MET A 11 -15.285 20.676 -19.498 1.00 0.00 H new ATOM 0 HB2 MET A 11 -17.261 19.424 -18.310 1.00 0.00 H new ATOM 0 HB3 MET A 11 -18.047 20.990 -18.309 1.00 0.00 H new ATOM 0 HG2 MET A 11 -16.886 20.068 -20.904 1.00 0.00 H new ATOM 0 HG3 MET A 11 -18.297 19.208 -20.318 1.00 0.00 H new ATOM 0 HE1 MET A 11 -20.212 21.388 -22.806 1.00 0.00 H new ATOM 0 HE2 MET A 11 -18.616 20.656 -23.099 1.00 0.00 H new ATOM 0 HE3 MET A 11 -19.848 19.765 -22.174 1.00 0.00 H new ATOM 171 N ALA A 12 -16.031 22.999 -20.184 1.00 0.00 N ATOM 172 CA ALA A 12 -16.165 24.412 -20.516 1.00 0.00 C ATOM 173 C ALA A 12 -17.419 25.008 -19.886 1.00 0.00 C ATOM 174 O ALA A 12 -18.538 24.668 -20.267 1.00 0.00 O ATOM 175 CB ALA A 12 -16.191 24.599 -22.026 1.00 0.00 C ATOM 0 H ALA A 12 -15.888 22.388 -20.988 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.301 24.938 -20.110 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.291 25.659 -22.260 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.264 24.219 -22.456 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.036 24.053 -22.446 1.00 0.00 H new ATOM 181 N GLY A 13 -17.224 25.898 -18.918 1.00 0.00 N ATOM 182 CA GLY A 13 -18.348 26.526 -18.249 1.00 0.00 C ATOM 183 C GLY A 13 -18.956 25.640 -17.181 1.00 0.00 C ATOM 184 O GLY A 13 -20.178 25.521 -17.085 1.00 0.00 O ATOM 0 H GLY A 13 -16.307 26.195 -18.585 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.021 27.462 -17.797 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.111 26.777 -18.986 1.00 0.00 H new ATOM 188 N SER A 14 -18.103 25.015 -16.376 1.00 0.00 N ATOM 189 CA SER A 14 -18.563 24.130 -15.313 1.00 0.00 C ATOM 190 C SER A 14 -17.474 23.930 -14.263 1.00 0.00 C ATOM 191 O SER A 14 -16.294 23.806 -14.592 1.00 0.00 O ATOM 192 CB SER A 14 -18.983 22.777 -15.892 1.00 0.00 C ATOM 193 OG SER A 14 -19.814 22.945 -17.027 1.00 0.00 O ATOM 0 H SER A 14 -17.089 25.105 -16.440 1.00 0.00 H new ATOM 0 HA SER A 14 -19.424 24.596 -14.834 1.00 0.00 H new ATOM 0 HB2 SER A 14 -18.097 22.205 -16.167 1.00 0.00 H new ATOM 0 HB3 SER A 14 -19.511 22.201 -15.132 1.00 0.00 H new ATOM 0 HG SER A 14 -20.274 23.809 -16.971 1.00 0.00 H new ATOM 199 N HIS A 15 -17.879 23.900 -12.997 1.00 0.00 N ATOM 200 CA HIS A 15 -16.939 23.715 -11.898 1.00 0.00 C ATOM 201 C HIS A 15 -16.058 22.492 -12.136 1.00 0.00 C ATOM 202 O HIS A 15 -16.413 21.576 -12.878 1.00 0.00 O ATOM 203 CB HIS A 15 -17.692 23.566 -10.575 1.00 0.00 C ATOM 204 CG HIS A 15 -18.867 22.641 -10.655 1.00 0.00 C ATOM 205 ND1 HIS A 15 -18.742 21.279 -10.830 1.00 0.00 N ATOM 206 CD2 HIS A 15 -20.196 22.890 -10.582 1.00 0.00 C ATOM 207 CE1 HIS A 15 -19.943 20.730 -10.862 1.00 0.00 C ATOM 208 NE2 HIS A 15 -20.843 21.686 -10.713 1.00 0.00 N ATOM 0 H HIS A 15 -18.852 24.001 -12.707 1.00 0.00 H new ATOM 0 HA HIS A 15 -16.300 24.597 -11.847 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -17.003 23.200 -9.814 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -18.035 24.548 -10.249 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -20.660 23.856 -10.446 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -20.154 19.678 -10.988 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -21.854 21.551 -10.698 1.00 0.00 H new ATOM 216 N PRO A 16 -14.882 22.475 -11.492 1.00 0.00 N ATOM 217 CA PRO A 16 -13.926 21.371 -11.619 1.00 0.00 C ATOM 218 C PRO A 16 -14.422 20.095 -10.947 1.00 0.00 C ATOM 219 O PRO A 16 -15.218 20.143 -10.009 1.00 0.00 O ATOM 220 CB PRO A 16 -12.678 21.899 -10.907 1.00 0.00 C ATOM 221 CG PRO A 16 -13.192 22.907 -9.939 1.00 0.00 C ATOM 222 CD PRO A 16 -14.394 23.533 -10.591 1.00 0.00 C ATOM 0 HA PRO A 16 -13.756 21.097 -12.660 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.144 21.097 -10.397 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.980 22.348 -11.613 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.462 22.437 -8.993 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.433 23.657 -9.717 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.148 23.815 -9.857 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.129 24.437 -11.139 1.00 0.00 H new ATOM 230 N THR A 17 -13.948 18.952 -11.434 1.00 0.00 N ATOM 231 CA THR A 17 -14.344 17.663 -10.881 1.00 0.00 C ATOM 232 C THR A 17 -13.125 16.817 -10.532 1.00 0.00 C ATOM 233 O THR A 17 -12.325 16.472 -11.403 1.00 0.00 O ATOM 234 CB THR A 17 -15.234 16.880 -11.864 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.439 17.610 -12.122 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.576 15.506 -11.309 1.00 0.00 C ATOM 0 H THR A 17 -13.289 18.893 -12.210 1.00 0.00 H new ATOM 0 HA THR A 17 -14.912 17.869 -9.974 1.00 0.00 H new ATOM 0 HB THR A 17 -14.682 16.750 -12.795 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.999 17.106 -12.749 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.205 14.972 -12.021 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.658 14.942 -11.142 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.110 15.617 -10.365 1.00 0.00 H new ATOM 244 N THR A 18 -12.989 16.482 -9.253 1.00 0.00 N ATOM 245 CA THR A 18 -11.867 15.676 -8.788 1.00 0.00 C ATOM 246 C THR A 18 -12.154 14.188 -8.954 1.00 0.00 C ATOM 247 O THR A 18 -12.951 13.613 -8.210 1.00 0.00 O ATOM 248 CB THR A 18 -11.542 15.963 -7.310 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.734 17.354 -7.028 1.00 0.00 O ATOM 250 CG2 THR A 18 -10.110 15.567 -6.984 1.00 0.00 C ATOM 0 H THR A 18 -13.643 16.757 -8.520 1.00 0.00 H new ATOM 0 HA THR A 18 -11.007 15.949 -9.400 1.00 0.00 H new ATOM 0 HB THR A 18 -12.216 15.371 -6.691 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.527 17.528 -6.086 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.904 15.779 -5.935 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.975 14.502 -7.172 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.423 16.136 -7.611 1.00 0.00 H new ATOM 258 N ILE A 19 -11.501 13.569 -9.932 1.00 0.00 N ATOM 259 CA ILE A 19 -11.686 12.147 -10.192 1.00 0.00 C ATOM 260 C ILE A 19 -10.445 11.351 -9.802 1.00 0.00 C ATOM 261 O ILE A 19 -9.400 11.455 -10.446 1.00 0.00 O ATOM 262 CB ILE A 19 -12.006 11.883 -11.676 1.00 0.00 C ATOM 263 CG1 ILE A 19 -13.068 12.865 -12.173 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.471 10.448 -11.870 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.415 12.691 -13.635 1.00 0.00 C ATOM 0 H ILE A 19 -10.840 14.030 -10.557 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.530 11.822 -9.583 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.098 12.032 -12.261 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.972 12.743 -11.576 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.714 13.883 -12.011 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.693 10.277 -12.923 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.685 9.764 -11.549 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.368 10.273 -11.277 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.174 13.420 -13.918 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.522 12.843 -14.241 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.799 11.685 -13.800 1.00 0.00 H new ATOM 277 N CYS A 20 -10.568 10.555 -8.746 1.00 0.00 N ATOM 278 CA CYS A 20 -9.456 9.739 -8.270 1.00 0.00 C ATOM 279 C CYS A 20 -9.340 8.452 -9.079 1.00 0.00 C ATOM 280 O CYS A 20 -10.325 7.742 -9.280 1.00 0.00 O ATOM 281 CB CYS A 20 -9.636 9.410 -6.787 1.00 0.00 C ATOM 282 SG CYS A 20 -11.164 8.520 -6.410 1.00 0.00 S ATOM 0 H CYS A 20 -11.426 10.457 -8.203 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.537 10.311 -8.399 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.788 8.812 -6.453 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.618 10.338 -6.215 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.519 7.812 -7.441 1.00 0.00 H new ATOM 288 N VAL A 21 -8.130 8.158 -9.544 1.00 0.00 N ATOM 289 CA VAL A 21 -7.885 6.956 -10.333 1.00 0.00 C ATOM 290 C VAL A 21 -6.584 6.280 -9.915 1.00 0.00 C ATOM 291 O VAL A 21 -5.601 6.947 -9.592 1.00 0.00 O ATOM 292 CB VAL A 21 -7.823 7.276 -11.838 1.00 0.00 C ATOM 293 CG1 VAL A 21 -7.777 5.994 -12.655 1.00 0.00 C ATOM 294 CG2 VAL A 21 -9.009 8.137 -12.249 1.00 0.00 C ATOM 0 H VAL A 21 -7.304 8.736 -9.388 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.719 6.280 -10.147 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.910 7.837 -12.035 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.733 6.240 -13.716 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.893 5.418 -12.379 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.671 5.403 -12.456 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.949 8.354 -13.316 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.936 7.604 -12.038 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.992 9.071 -11.688 1.00 0.00 H new ATOM 304 N VAL A 22 -6.586 4.951 -9.922 1.00 0.00 N ATOM 305 CA VAL A 22 -5.405 4.183 -9.545 1.00 0.00 C ATOM 306 C VAL A 22 -4.229 4.498 -10.462 1.00 0.00 C ATOM 307 O VAL A 22 -4.414 4.849 -11.627 1.00 0.00 O ATOM 308 CB VAL A 22 -5.684 2.668 -9.587 1.00 0.00 C ATOM 309 CG1 VAL A 22 -4.520 1.894 -8.988 1.00 0.00 C ATOM 310 CG2 VAL A 22 -6.980 2.345 -8.860 1.00 0.00 C ATOM 0 H VAL A 22 -7.392 4.384 -10.185 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.153 4.470 -8.524 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.793 2.365 -10.628 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.735 0.826 -9.026 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.614 2.102 -9.556 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.376 2.198 -7.951 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.161 1.271 -8.900 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.902 2.662 -7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.806 2.870 -9.339 1.00 0.00 H new ATOM 320 N MET A 23 -3.019 4.369 -9.929 1.00 0.00 N ATOM 321 CA MET A 23 -1.811 4.638 -10.700 1.00 0.00 C ATOM 322 C MET A 23 -1.811 3.847 -12.004 1.00 0.00 C ATOM 323 O MET A 23 -1.606 4.407 -13.081 1.00 0.00 O ATOM 324 CB MET A 23 -0.567 4.290 -9.880 1.00 0.00 C ATOM 325 CG MET A 23 0.734 4.718 -10.538 1.00 0.00 C ATOM 326 SD MET A 23 1.435 3.434 -11.591 1.00 0.00 S ATOM 327 CE MET A 23 2.536 2.615 -10.439 1.00 0.00 C ATOM 0 H MET A 23 -2.849 4.080 -8.966 1.00 0.00 H new ATOM 0 HA MET A 23 -1.793 5.701 -10.940 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.643 4.764 -8.901 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.542 3.213 -9.712 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.558 5.614 -11.133 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.456 4.984 -9.766 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.045 1.794 -10.943 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.274 3.328 -10.071 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.960 2.224 -9.600 1.00 0.00 H new ATOM 337 N ASP A 24 -2.043 2.543 -11.900 1.00 0.00 N ATOM 338 CA ASP A 24 -2.071 1.675 -13.071 1.00 0.00 C ATOM 339 C ASP A 24 -3.268 1.999 -13.960 1.00 0.00 C ATOM 340 O ASP A 24 -3.241 1.758 -15.167 1.00 0.00 O ATOM 341 CB ASP A 24 -2.120 0.207 -12.644 1.00 0.00 C ATOM 342 CG ASP A 24 -1.812 -0.740 -13.787 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.615 -0.955 -14.073 1.00 0.00 O ATOM 344 OD2 ASP A 24 -2.767 -1.266 -14.396 1.00 0.00 O ATOM 0 H ASP A 24 -2.214 2.064 -11.016 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.159 1.849 -13.642 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.406 0.042 -11.837 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.109 -0.019 -12.245 1.00 0.00 H new ATOM 349 N ARG A 25 -4.317 2.545 -13.354 1.00 0.00 N ATOM 350 CA ARG A 25 -5.525 2.900 -14.090 1.00 0.00 C ATOM 351 C ARG A 25 -5.451 4.339 -14.593 1.00 0.00 C ATOM 352 O ARG A 25 -6.409 4.856 -15.169 1.00 0.00 O ATOM 353 CB ARG A 25 -6.759 2.721 -13.203 1.00 0.00 C ATOM 354 CG ARG A 25 -8.056 2.596 -13.984 1.00 0.00 C ATOM 355 CD ARG A 25 -8.304 1.163 -14.427 1.00 0.00 C ATOM 356 NE ARG A 25 -8.444 0.256 -13.291 1.00 0.00 N ATOM 357 CZ ARG A 25 -8.388 -1.067 -13.396 1.00 0.00 C ATOM 358 NH1 ARG A 25 -8.196 -1.634 -14.579 1.00 0.00 N ATOM 359 NH2 ARG A 25 -8.525 -1.826 -12.316 1.00 0.00 N ATOM 0 H ARG A 25 -4.355 2.751 -12.356 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.605 2.236 -14.951 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.628 1.831 -12.588 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.834 3.570 -12.524 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.888 2.936 -13.367 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.020 3.247 -14.858 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.207 1.123 -15.036 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.479 0.830 -15.057 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.593 0.660 -12.367 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.091 -1.054 -15.411 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.153 -2.650 -14.657 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.673 -1.394 -11.404 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.482 -2.842 -12.398 1.00 0.00 H new ATOM 373 N PHE A 26 -4.309 4.981 -14.371 1.00 0.00 N ATOM 374 CA PHE A 26 -4.111 6.360 -14.801 1.00 0.00 C ATOM 375 C PHE A 26 -4.206 6.476 -16.319 1.00 0.00 C ATOM 376 O PHE A 26 -4.989 7.269 -16.845 1.00 0.00 O ATOM 377 CB PHE A 26 -2.751 6.875 -14.323 1.00 0.00 C ATOM 378 CG PHE A 26 -2.428 8.257 -14.814 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.824 8.445 -16.047 1.00 0.00 C ATOM 380 CD2 PHE A 26 -2.727 9.368 -14.042 1.00 0.00 C ATOM 381 CE1 PHE A 26 -1.525 9.716 -16.502 1.00 0.00 C ATOM 382 CE2 PHE A 26 -2.431 10.641 -14.492 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.828 10.815 -15.723 1.00 0.00 C ATOM 0 H PHE A 26 -3.506 4.568 -13.896 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.899 6.969 -14.358 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.733 6.872 -13.233 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.973 6.188 -14.657 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.584 7.589 -16.660 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.196 9.238 -13.078 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.055 9.849 -17.465 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.671 11.499 -13.882 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.594 11.809 -16.075 1.00 0.00 H new ATOM 393 N LEU A 27 -3.404 5.680 -17.019 1.00 0.00 N ATOM 394 CA LEU A 27 -3.397 5.693 -18.477 1.00 0.00 C ATOM 395 C LEU A 27 -4.794 5.433 -19.031 1.00 0.00 C ATOM 396 O LEU A 27 -5.247 6.121 -19.946 1.00 0.00 O ATOM 397 CB LEU A 27 -2.421 4.643 -19.011 1.00 0.00 C ATOM 398 CG LEU A 27 -2.288 4.561 -20.532 1.00 0.00 C ATOM 399 CD1 LEU A 27 -2.039 5.941 -21.121 1.00 0.00 C ATOM 400 CD2 LEU A 27 -1.171 3.604 -20.920 1.00 0.00 C ATOM 0 H LEU A 27 -2.751 5.018 -16.600 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.074 6.681 -18.805 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.436 4.845 -18.591 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.731 3.666 -18.640 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.224 4.178 -20.939 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.947 5.863 -22.204 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.873 6.598 -20.874 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.118 6.352 -20.707 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.092 3.559 -22.006 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.228 3.956 -20.502 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.392 2.610 -20.531 1.00 0.00 H new ATOM 412 N GLU A 28 -5.473 4.438 -18.469 1.00 0.00 N ATOM 413 CA GLU A 28 -6.819 4.089 -18.907 1.00 0.00 C ATOM 414 C GLU A 28 -7.762 5.281 -18.768 1.00 0.00 C ATOM 415 O GLU A 28 -8.482 5.628 -19.704 1.00 0.00 O ATOM 416 CB GLU A 28 -7.352 2.906 -18.096 1.00 0.00 C ATOM 417 CG GLU A 28 -8.417 2.101 -18.822 1.00 0.00 C ATOM 418 CD GLU A 28 -8.431 0.643 -18.405 1.00 0.00 C ATOM 419 OE1 GLU A 28 -8.174 0.365 -17.215 1.00 0.00 O ATOM 420 OE2 GLU A 28 -8.700 -0.219 -19.267 1.00 0.00 O ATOM 0 H GLU A 28 -5.113 3.860 -17.710 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.770 3.807 -19.959 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.522 2.248 -17.841 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.765 3.276 -17.158 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.395 2.540 -18.627 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.247 2.166 -19.897 1.00 0.00 H new ATOM 427 N SER A 29 -7.752 5.902 -17.594 1.00 0.00 N ATOM 428 CA SER A 29 -8.609 7.052 -17.330 1.00 0.00 C ATOM 429 C SER A 29 -8.375 8.152 -18.362 1.00 0.00 C ATOM 430 O SER A 29 -9.321 8.683 -18.945 1.00 0.00 O ATOM 431 CB SER A 29 -8.352 7.595 -15.923 1.00 0.00 C ATOM 432 OG SER A 29 -8.711 8.963 -15.830 1.00 0.00 O ATOM 0 H SER A 29 -7.160 5.628 -16.810 1.00 0.00 H new ATOM 0 HA SER A 29 -9.646 6.725 -17.401 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.922 7.016 -15.197 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.299 7.474 -15.670 1.00 0.00 H new ATOM 0 HG SER A 29 -7.900 9.511 -15.781 1.00 0.00 H new ATOM 438 N PHE A 30 -7.109 8.488 -18.582 1.00 0.00 N ATOM 439 CA PHE A 30 -6.749 9.525 -19.543 1.00 0.00 C ATOM 440 C PHE A 30 -7.219 9.153 -20.946 1.00 0.00 C ATOM 441 O PHE A 30 -7.733 9.993 -21.684 1.00 0.00 O ATOM 442 CB PHE A 30 -5.235 9.748 -19.542 1.00 0.00 C ATOM 443 CG PHE A 30 -4.822 11.062 -20.141 1.00 0.00 C ATOM 444 CD1 PHE A 30 -4.616 11.181 -21.506 1.00 0.00 C ATOM 445 CD2 PHE A 30 -4.641 12.177 -19.340 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.236 12.388 -22.060 1.00 0.00 C ATOM 447 CE2 PHE A 30 -4.261 13.388 -19.889 1.00 0.00 C ATOM 448 CZ PHE A 30 -4.059 13.493 -21.251 1.00 0.00 C ATOM 0 H PHE A 30 -6.315 8.058 -18.108 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.245 10.449 -19.246 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.869 9.694 -18.517 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.756 8.939 -20.095 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.754 10.321 -22.144 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.798 12.100 -18.274 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.077 12.467 -23.125 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.122 14.250 -19.254 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.763 14.438 -21.683 1.00 0.00 H new ATOM 458 N SER A 31 -7.037 7.887 -21.308 1.00 0.00 N ATOM 459 CA SER A 31 -7.437 7.403 -22.624 1.00 0.00 C ATOM 460 C SER A 31 -8.926 7.638 -22.859 1.00 0.00 C ATOM 461 O SER A 31 -9.324 8.188 -23.886 1.00 0.00 O ATOM 462 CB SER A 31 -7.116 5.914 -22.763 1.00 0.00 C ATOM 463 OG SER A 31 -7.074 5.526 -24.125 1.00 0.00 O ATOM 0 H SER A 31 -6.615 7.178 -20.708 1.00 0.00 H new ATOM 0 HA SER A 31 -6.876 7.959 -23.375 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.157 5.700 -22.291 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.868 5.326 -22.237 1.00 0.00 H new ATOM 0 HG SER A 31 -6.865 4.570 -24.187 1.00 0.00 H new ATOM 469 N GLU A 32 -9.744 7.216 -21.900 1.00 0.00 N ATOM 470 CA GLU A 32 -11.189 7.379 -22.003 1.00 0.00 C ATOM 471 C GLU A 32 -11.578 8.852 -21.911 1.00 0.00 C ATOM 472 O GLU A 32 -12.580 9.278 -22.487 1.00 0.00 O ATOM 473 CB GLU A 32 -11.894 6.585 -20.902 1.00 0.00 C ATOM 474 CG GLU A 32 -12.122 5.125 -21.255 1.00 0.00 C ATOM 475 CD GLU A 32 -10.870 4.449 -21.778 1.00 0.00 C ATOM 476 OE1 GLU A 32 -10.627 4.514 -23.001 1.00 0.00 O ATOM 477 OE2 GLU A 32 -10.132 3.855 -20.964 1.00 0.00 O ATOM 0 H GLU A 32 -9.431 6.759 -21.044 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.504 6.997 -22.974 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.301 6.641 -19.989 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.855 7.052 -20.687 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.476 4.593 -20.372 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.909 5.055 -22.006 1.00 0.00 H new ATOM 484 N LEU A 33 -10.780 9.624 -21.183 1.00 0.00 N ATOM 485 CA LEU A 33 -11.039 11.050 -21.015 1.00 0.00 C ATOM 486 C LEU A 33 -10.921 11.786 -22.345 1.00 0.00 C ATOM 487 O LEU A 33 -11.764 12.617 -22.683 1.00 0.00 O ATOM 488 CB LEU A 33 -10.065 11.649 -19.999 1.00 0.00 C ATOM 489 CG LEU A 33 -10.541 12.909 -19.275 1.00 0.00 C ATOM 490 CD1 LEU A 33 -10.723 14.054 -20.259 1.00 0.00 C ATOM 491 CD2 LEU A 33 -11.837 12.636 -18.526 1.00 0.00 C ATOM 0 H LEU A 33 -9.948 9.287 -20.699 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.058 11.168 -20.646 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.838 10.889 -19.252 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.132 11.880 -20.513 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.780 13.198 -18.550 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.062 14.942 -19.725 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.773 14.266 -20.750 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.464 13.776 -21.008 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.161 13.544 -18.017 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.606 12.322 -19.232 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.674 11.847 -17.792 1.00 0.00 H new ATOM 503 N TYR A 34 -9.871 11.474 -23.097 1.00 0.00 N ATOM 504 CA TYR A 34 -9.643 12.105 -24.391 1.00 0.00 C ATOM 505 C TYR A 34 -10.820 11.864 -25.331 1.00 0.00 C ATOM 506 O TYR A 34 -11.022 12.605 -26.293 1.00 0.00 O ATOM 507 CB TYR A 34 -8.355 11.573 -25.021 1.00 0.00 C ATOM 508 CG TYR A 34 -8.176 11.977 -26.467 1.00 0.00 C ATOM 509 CD1 TYR A 34 -7.963 13.304 -26.817 1.00 0.00 C ATOM 510 CD2 TYR A 34 -8.221 11.031 -27.484 1.00 0.00 C ATOM 511 CE1 TYR A 34 -7.801 13.678 -28.137 1.00 0.00 C ATOM 512 CE2 TYR A 34 -8.058 11.395 -28.806 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.848 12.720 -29.128 1.00 0.00 C ATOM 514 OH TYR A 34 -7.686 13.087 -30.444 1.00 0.00 O ATOM 0 H TYR A 34 -9.164 10.788 -22.832 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.545 13.179 -24.230 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.503 11.932 -24.444 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.350 10.485 -24.953 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.923 14.057 -26.044 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.386 9.993 -27.236 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.638 14.715 -28.391 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.095 10.647 -29.584 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.789 14.058 -30.528 1.00 0.00 H new ATOM 524 N ASP A 35 -11.593 10.823 -25.044 1.00 0.00 N ATOM 525 CA ASP A 35 -12.752 10.483 -25.861 1.00 0.00 C ATOM 526 C ASP A 35 -13.992 11.232 -25.384 1.00 0.00 C ATOM 527 O ASP A 35 -14.601 11.990 -26.139 1.00 0.00 O ATOM 528 CB ASP A 35 -13.005 8.975 -25.823 1.00 0.00 C ATOM 529 CG ASP A 35 -12.858 8.329 -27.187 1.00 0.00 C ATOM 530 OD1 ASP A 35 -13.324 8.926 -28.179 1.00 0.00 O ATOM 531 OD2 ASP A 35 -12.277 7.226 -27.261 1.00 0.00 O ATOM 0 H ASP A 35 -11.438 10.200 -24.252 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.542 10.782 -26.888 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.307 8.510 -25.127 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.009 8.787 -25.442 1.00 0.00 H new ATOM 536 N ILE A 36 -14.362 11.013 -24.126 1.00 0.00 N ATOM 537 CA ILE A 36 -15.529 11.667 -23.548 1.00 0.00 C ATOM 538 C ILE A 36 -15.408 13.185 -23.635 1.00 0.00 C ATOM 539 O ILE A 36 -16.400 13.886 -23.835 1.00 0.00 O ATOM 540 CB ILE A 36 -15.730 11.262 -22.076 1.00 0.00 C ATOM 541 CG1 ILE A 36 -16.996 11.913 -21.514 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.515 11.654 -21.249 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.381 11.400 -20.144 1.00 0.00 C ATOM 0 H ILE A 36 -13.870 10.387 -23.488 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.393 11.340 -24.127 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.847 10.180 -22.024 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.848 12.992 -21.461 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.822 11.739 -22.204 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.672 11.361 -20.211 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.631 11.149 -21.639 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.370 12.733 -21.304 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.287 11.905 -19.808 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.562 10.326 -20.195 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.572 11.599 -19.441 1.00 0.00 H new ATOM 555 N ILE A 37 -14.186 13.685 -23.484 1.00 0.00 N ATOM 556 CA ILE A 37 -13.935 15.119 -23.549 1.00 0.00 C ATOM 557 C ILE A 37 -14.279 15.676 -24.926 1.00 0.00 C ATOM 558 O ILE A 37 -14.650 16.842 -25.060 1.00 0.00 O ATOM 559 CB ILE A 37 -12.465 15.448 -23.227 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.296 16.951 -22.993 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.558 14.976 -24.353 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.302 17.339 -21.531 1.00 0.00 C ATOM 0 H ILE A 37 -13.355 13.118 -23.316 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.576 15.586 -22.801 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.181 14.923 -22.315 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.359 17.278 -23.443 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.098 17.483 -23.505 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.523 15.216 -24.111 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.662 13.898 -24.476 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.839 15.476 -25.280 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.178 18.418 -21.440 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.249 17.044 -21.080 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.483 16.835 -21.018 1.00 0.00 H new ATOM 574 N ASP A 38 -14.156 14.835 -25.946 1.00 0.00 N ATOM 575 CA ASP A 38 -14.456 15.242 -27.314 1.00 0.00 C ATOM 576 C ASP A 38 -15.902 15.713 -27.435 1.00 0.00 C ATOM 577 O ASP A 38 -16.233 16.512 -28.310 1.00 0.00 O ATOM 578 CB ASP A 38 -14.201 14.084 -28.281 1.00 0.00 C ATOM 579 CG ASP A 38 -13.968 14.558 -29.702 1.00 0.00 C ATOM 580 OD1 ASP A 38 -13.199 15.524 -29.887 1.00 0.00 O ATOM 581 OD2 ASP A 38 -14.554 13.962 -30.629 1.00 0.00 O ATOM 0 H ASP A 38 -13.850 13.866 -25.852 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.799 16.072 -27.573 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.334 13.517 -27.943 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.053 13.405 -28.263 1.00 0.00 H new ATOM 586 N GLU A 39 -16.759 15.211 -26.551 1.00 0.00 N ATOM 587 CA GLU A 39 -18.170 15.580 -26.561 1.00 0.00 C ATOM 588 C GLU A 39 -18.489 16.540 -25.419 1.00 0.00 C ATOM 589 O GLU A 39 -17.597 16.980 -24.696 1.00 0.00 O ATOM 590 CB GLU A 39 -19.047 14.331 -26.453 1.00 0.00 C ATOM 591 CG GLU A 39 -18.707 13.258 -27.474 1.00 0.00 C ATOM 592 CD GLU A 39 -18.997 13.695 -28.897 1.00 0.00 C ATOM 593 OE1 GLU A 39 -20.095 14.239 -29.139 1.00 0.00 O ATOM 594 OE2 GLU A 39 -18.126 13.491 -29.768 1.00 0.00 O ATOM 0 H GLU A 39 -16.501 14.548 -25.820 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.382 16.083 -27.505 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.947 13.912 -25.452 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -20.091 14.619 -26.575 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.652 12.998 -27.385 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.277 12.356 -27.251 1.00 0.00 H new ATOM 601 N ASN A 40 -19.770 16.860 -25.264 1.00 0.00 N ATOM 602 CA ASN A 40 -20.208 17.769 -24.210 1.00 0.00 C ATOM 603 C ASN A 40 -21.314 17.136 -23.371 1.00 0.00 C ATOM 604 O ASN A 40 -22.176 17.831 -22.835 1.00 0.00 O ATOM 605 CB ASN A 40 -20.703 19.084 -24.816 1.00 0.00 C ATOM 606 CG ASN A 40 -21.699 18.866 -25.939 1.00 0.00 C ATOM 607 OD1 ASN A 40 -21.317 18.620 -27.083 1.00 0.00 O ATOM 608 ND2 ASN A 40 -22.983 18.955 -25.615 1.00 0.00 N ATOM 0 H ASN A 40 -20.522 16.504 -25.854 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.355 17.972 -23.562 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -21.166 19.688 -24.036 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -19.851 19.650 -25.194 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -23.700 18.817 -26.328 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -23.253 19.161 -24.653 1.00 0.00 H new ATOM 615 N ASP A 41 -21.281 15.812 -23.261 1.00 0.00 N ATOM 616 CA ASP A 41 -22.279 15.084 -22.486 1.00 0.00 C ATOM 617 C ASP A 41 -22.057 15.285 -20.990 1.00 0.00 C ATOM 618 O ASP A 41 -21.120 14.733 -20.410 1.00 0.00 O ATOM 619 CB ASP A 41 -22.232 13.594 -22.826 1.00 0.00 C ATOM 620 CG ASP A 41 -21.951 13.343 -24.294 1.00 0.00 C ATOM 621 OD1 ASP A 41 -22.695 13.881 -25.141 1.00 0.00 O ATOM 622 OD2 ASP A 41 -20.987 12.610 -24.597 1.00 0.00 O ATOM 0 H ASP A 41 -20.574 15.221 -23.699 1.00 0.00 H new ATOM 0 HA ASP A 41 -23.262 15.477 -22.745 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -21.462 13.111 -22.224 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -23.182 13.133 -22.557 1.00 0.00 H new ATOM 627 N THR A 42 -22.923 16.079 -20.369 1.00 0.00 N ATOM 628 CA THR A 42 -22.821 16.355 -18.942 1.00 0.00 C ATOM 629 C THR A 42 -23.509 15.270 -18.121 1.00 0.00 C ATOM 630 O THR A 42 -23.103 14.978 -16.996 1.00 0.00 O ATOM 631 CB THR A 42 -23.439 17.720 -18.587 1.00 0.00 C ATOM 632 OG1 THR A 42 -23.282 18.628 -19.683 1.00 0.00 O ATOM 633 CG2 THR A 42 -22.788 18.303 -17.342 1.00 0.00 C ATOM 0 H THR A 42 -23.704 16.543 -20.833 1.00 0.00 H new ATOM 0 HA THR A 42 -21.758 16.372 -18.700 1.00 0.00 H new ATOM 0 HB THR A 42 -24.500 17.572 -18.386 1.00 0.00 H new ATOM 0 HG1 THR A 42 -23.679 19.493 -19.450 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.242 19.267 -17.112 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.935 17.623 -16.503 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.721 18.437 -17.518 1.00 0.00 H new ATOM 641 N ASP A 43 -24.551 14.675 -18.692 1.00 0.00 N ATOM 642 CA ASP A 43 -25.294 13.619 -18.013 1.00 0.00 C ATOM 643 C ASP A 43 -24.471 12.337 -17.937 1.00 0.00 C ATOM 644 O ASP A 43 -24.694 11.495 -17.067 1.00 0.00 O ATOM 645 CB ASP A 43 -26.614 13.350 -18.738 1.00 0.00 C ATOM 646 CG ASP A 43 -26.412 12.653 -20.069 1.00 0.00 C ATOM 647 OD1 ASP A 43 -25.635 13.171 -20.898 1.00 0.00 O ATOM 648 OD2 ASP A 43 -27.032 11.590 -20.281 1.00 0.00 O ATOM 0 H ASP A 43 -24.900 14.906 -19.622 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.506 13.953 -16.997 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -27.255 12.737 -18.104 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -27.135 14.294 -18.901 1.00 0.00 H new ATOM 653 N VAL A 44 -23.519 12.196 -18.854 1.00 0.00 N ATOM 654 CA VAL A 44 -22.662 11.017 -18.890 1.00 0.00 C ATOM 655 C VAL A 44 -21.434 11.202 -18.006 1.00 0.00 C ATOM 656 O VAL A 44 -20.800 10.231 -17.596 1.00 0.00 O ATOM 657 CB VAL A 44 -22.203 10.700 -20.326 1.00 0.00 C ATOM 658 CG1 VAL A 44 -21.371 9.428 -20.353 1.00 0.00 C ATOM 659 CG2 VAL A 44 -23.403 10.582 -21.254 1.00 0.00 C ATOM 0 H VAL A 44 -23.322 12.883 -19.581 1.00 0.00 H new ATOM 0 HA VAL A 44 -23.255 10.184 -18.513 1.00 0.00 H new ATOM 0 HB VAL A 44 -21.578 11.521 -20.679 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -21.056 9.221 -21.376 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.492 9.555 -19.721 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -21.968 8.595 -19.981 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -23.061 10.358 -22.264 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -24.055 9.781 -20.906 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -23.954 11.523 -21.258 1.00 0.00 H new ATOM 669 N MET A 45 -21.105 12.457 -17.715 1.00 0.00 N ATOM 670 CA MET A 45 -19.953 12.769 -16.877 1.00 0.00 C ATOM 671 C MET A 45 -20.018 12.007 -15.557 1.00 0.00 C ATOM 672 O MET A 45 -19.063 11.334 -15.171 1.00 0.00 O ATOM 673 CB MET A 45 -19.886 14.274 -16.607 1.00 0.00 C ATOM 674 CG MET A 45 -19.230 15.063 -17.729 1.00 0.00 C ATOM 675 SD MET A 45 -17.435 14.898 -17.738 1.00 0.00 S ATOM 676 CE MET A 45 -17.012 15.720 -16.204 1.00 0.00 C ATOM 0 H MET A 45 -21.619 13.273 -18.047 1.00 0.00 H new ATOM 0 HA MET A 45 -19.053 12.461 -17.410 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.896 14.652 -16.450 1.00 0.00 H new ATOM 0 HB3 MET A 45 -19.334 14.445 -15.683 1.00 0.00 H new ATOM 0 HG2 MET A 45 -19.627 14.724 -18.686 1.00 0.00 H new ATOM 0 HG3 MET A 45 -19.494 16.116 -17.629 1.00 0.00 H new ATOM 0 HE1 MET A 45 -16.155 16.374 -16.366 1.00 0.00 H new ATOM 0 HE2 MET A 45 -17.861 16.312 -15.863 1.00 0.00 H new ATOM 0 HE3 MET A 45 -16.762 14.975 -15.449 1.00 0.00 H new ATOM 686 N MET A 46 -21.150 12.117 -14.870 1.00 0.00 N ATOM 687 CA MET A 46 -21.339 11.437 -13.594 1.00 0.00 C ATOM 688 C MET A 46 -21.019 9.951 -13.718 1.00 0.00 C ATOM 689 O MET A 46 -20.305 9.389 -12.888 1.00 0.00 O ATOM 690 CB MET A 46 -22.775 11.622 -13.100 1.00 0.00 C ATOM 691 CG MET A 46 -23.826 11.248 -14.134 1.00 0.00 C ATOM 692 SD MET A 46 -25.480 11.798 -13.672 1.00 0.00 S ATOM 693 CE MET A 46 -26.032 10.413 -12.680 1.00 0.00 C ATOM 0 H MET A 46 -21.950 12.671 -15.175 1.00 0.00 H new ATOM 0 HA MET A 46 -20.654 11.879 -12.870 1.00 0.00 H new ATOM 0 HB2 MET A 46 -22.924 11.016 -12.206 1.00 0.00 H new ATOM 0 HB3 MET A 46 -22.919 12.662 -12.807 1.00 0.00 H new ATOM 0 HG2 MET A 46 -23.557 11.686 -15.095 1.00 0.00 H new ATOM 0 HG3 MET A 46 -23.831 10.166 -14.267 1.00 0.00 H new ATOM 0 HE1 MET A 46 -27.043 10.603 -12.320 1.00 0.00 H new ATOM 0 HE2 MET A 46 -26.027 9.507 -13.286 1.00 0.00 H new ATOM 0 HE3 MET A 46 -25.362 10.285 -11.830 1.00 0.00 H new ATOM 703 N ASP A 47 -21.552 9.320 -14.759 1.00 0.00 N ATOM 704 CA ASP A 47 -21.322 7.899 -14.992 1.00 0.00 C ATOM 705 C ASP A 47 -19.832 7.606 -15.134 1.00 0.00 C ATOM 706 O ASP A 47 -19.331 6.612 -14.607 1.00 0.00 O ATOM 707 CB ASP A 47 -22.067 7.439 -16.245 1.00 0.00 C ATOM 708 CG ASP A 47 -22.444 5.971 -16.189 1.00 0.00 C ATOM 709 OD1 ASP A 47 -22.805 5.492 -15.093 1.00 0.00 O ATOM 710 OD2 ASP A 47 -22.378 5.301 -17.240 1.00 0.00 O ATOM 0 H ASP A 47 -22.146 9.770 -15.455 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.701 7.349 -14.131 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.969 8.038 -16.368 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.443 7.618 -17.121 1.00 0.00 H new ATOM 715 N PHE A 48 -19.129 8.476 -15.852 1.00 0.00 N ATOM 716 CA PHE A 48 -17.696 8.309 -16.066 1.00 0.00 C ATOM 717 C PHE A 48 -16.929 8.461 -14.756 1.00 0.00 C ATOM 718 O PHE A 48 -16.063 7.647 -14.434 1.00 0.00 O ATOM 719 CB PHE A 48 -17.189 9.329 -17.088 1.00 0.00 C ATOM 720 CG PHE A 48 -15.692 9.393 -17.179 1.00 0.00 C ATOM 721 CD1 PHE A 48 -14.984 8.423 -17.870 1.00 0.00 C ATOM 722 CD2 PHE A 48 -14.992 10.425 -16.574 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.605 8.480 -17.954 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.613 10.487 -16.655 1.00 0.00 C ATOM 725 CZ PHE A 48 -12.919 9.514 -17.347 1.00 0.00 C ATOM 0 H PHE A 48 -19.528 9.303 -16.295 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.526 7.304 -16.451 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.594 9.081 -18.069 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.572 10.315 -16.825 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.515 7.613 -18.348 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.530 11.190 -16.033 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.065 7.717 -18.494 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.079 11.295 -16.178 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.842 9.561 -17.413 1.00 0.00 H new ATOM 735 N ILE A 49 -17.253 9.509 -14.006 1.00 0.00 N ATOM 736 CA ILE A 49 -16.595 9.768 -12.731 1.00 0.00 C ATOM 737 C ILE A 49 -16.723 8.572 -11.793 1.00 0.00 C ATOM 738 O ILE A 49 -15.741 8.131 -11.196 1.00 0.00 O ATOM 739 CB ILE A 49 -17.179 11.014 -12.039 1.00 0.00 C ATOM 740 CG1 ILE A 49 -17.023 12.243 -12.936 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.500 11.241 -10.697 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.983 13.363 -12.600 1.00 0.00 C ATOM 0 H ILE A 49 -17.967 10.192 -14.259 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.542 9.944 -12.950 1.00 0.00 H new ATOM 0 HB ILE A 49 -18.242 10.849 -11.863 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -16.001 12.615 -12.855 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -17.173 11.946 -13.974 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.923 12.125 -10.220 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.658 10.373 -10.058 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.431 11.388 -10.850 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.815 14.201 -13.276 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -19.008 13.009 -12.709 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.819 13.687 -11.572 1.00 0.00 H new ATOM 754 N SER A 50 -17.940 8.051 -11.670 1.00 0.00 N ATOM 755 CA SER A 50 -18.197 6.907 -10.804 1.00 0.00 C ATOM 756 C SER A 50 -17.654 5.623 -11.423 1.00 0.00 C ATOM 757 O SER A 50 -17.312 4.676 -10.715 1.00 0.00 O ATOM 758 CB SER A 50 -19.698 6.765 -10.543 1.00 0.00 C ATOM 759 OG SER A 50 -20.189 7.854 -9.781 1.00 0.00 O ATOM 0 H SER A 50 -18.763 8.403 -12.159 1.00 0.00 H new ATOM 0 HA SER A 50 -17.685 7.078 -9.857 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.232 6.711 -11.492 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.892 5.831 -10.015 1.00 0.00 H new ATOM 0 HG SER A 50 -21.151 7.740 -9.630 1.00 0.00 H new ATOM 765 N ARG A 51 -17.576 5.600 -12.749 1.00 0.00 N ATOM 766 CA ARG A 51 -17.076 4.433 -13.465 1.00 0.00 C ATOM 767 C ARG A 51 -15.602 4.193 -13.150 1.00 0.00 C ATOM 768 O ARG A 51 -15.197 3.072 -12.843 1.00 0.00 O ATOM 769 CB ARG A 51 -17.263 4.613 -14.973 1.00 0.00 C ATOM 770 CG ARG A 51 -16.624 3.512 -15.802 1.00 0.00 C ATOM 771 CD ARG A 51 -17.304 2.172 -15.569 1.00 0.00 C ATOM 772 NE ARG A 51 -16.688 1.428 -14.474 1.00 0.00 N ATOM 773 CZ ARG A 51 -15.578 0.711 -14.606 1.00 0.00 C ATOM 774 NH1 ARG A 51 -14.965 0.641 -15.780 1.00 0.00 N ATOM 775 NH2 ARG A 51 -15.078 0.062 -13.563 1.00 0.00 N ATOM 0 H ARG A 51 -17.853 6.377 -13.350 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.647 3.565 -13.137 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -18.329 4.652 -15.196 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -16.840 5.572 -15.271 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -16.682 3.771 -16.859 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.566 3.433 -15.550 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -18.359 2.335 -15.348 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -17.257 1.578 -16.482 1.00 0.00 H new ATOM 0 HE ARG A 51 -17.135 1.461 -13.558 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.346 1.139 -16.585 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.113 0.089 -15.878 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.546 0.113 -12.658 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.225 -0.488 -13.666 1.00 0.00 H new ATOM 789 N PHE A 52 -14.805 5.253 -13.230 1.00 0.00 N ATOM 790 CA PHE A 52 -13.376 5.158 -12.955 1.00 0.00 C ATOM 791 C PHE A 52 -13.093 5.366 -11.470 1.00 0.00 C ATOM 792 O PHE A 52 -12.475 4.523 -10.821 1.00 0.00 O ATOM 793 CB PHE A 52 -12.606 6.189 -13.783 1.00 0.00 C ATOM 794 CG PHE A 52 -12.129 5.661 -15.105 1.00 0.00 C ATOM 795 CD1 PHE A 52 -10.938 4.959 -15.197 1.00 0.00 C ATOM 796 CD2 PHE A 52 -12.871 5.866 -16.257 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.496 4.472 -16.413 1.00 0.00 C ATOM 798 CE2 PHE A 52 -12.435 5.381 -17.476 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.246 4.683 -17.553 1.00 0.00 C ATOM 0 H PHE A 52 -15.124 6.188 -13.483 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.043 4.158 -13.233 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.245 7.055 -13.956 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.747 6.536 -13.208 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.348 4.790 -14.308 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.802 6.411 -16.202 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.565 3.927 -16.471 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.023 5.548 -18.366 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.903 4.303 -18.504 1.00 0.00 H new ATOM 809 N ALA A 53 -13.548 6.496 -10.940 1.00 0.00 N ATOM 810 CA ALA A 53 -13.346 6.816 -9.533 1.00 0.00 C ATOM 811 C ALA A 53 -14.274 5.995 -8.644 1.00 0.00 C ATOM 812 O ALA A 53 -15.469 6.277 -8.551 1.00 0.00 O ATOM 813 CB ALA A 53 -13.561 8.303 -9.293 1.00 0.00 C ATOM 0 H ALA A 53 -14.059 7.206 -11.465 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.318 6.562 -9.273 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.407 8.527 -8.238 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.853 8.875 -9.893 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.578 8.574 -9.577 1.00 0.00 H new ATOM 819 N ARG A 54 -13.717 4.980 -7.993 1.00 0.00 N ATOM 820 CA ARG A 54 -14.496 4.117 -7.113 1.00 0.00 C ATOM 821 C ARG A 54 -13.951 4.159 -5.688 1.00 0.00 C ATOM 822 O ARG A 54 -12.744 4.047 -5.470 1.00 0.00 O ATOM 823 CB ARG A 54 -14.484 2.678 -7.633 1.00 0.00 C ATOM 824 CG ARG A 54 -15.477 1.768 -6.929 1.00 0.00 C ATOM 825 CD ARG A 54 -16.907 2.077 -7.345 1.00 0.00 C ATOM 826 NE ARG A 54 -17.790 0.928 -7.162 1.00 0.00 N ATOM 827 CZ ARG A 54 -19.107 0.980 -7.327 1.00 0.00 C ATOM 828 NH1 ARG A 54 -19.690 2.118 -7.678 1.00 0.00 N ATOM 829 NH2 ARG A 54 -19.844 -0.108 -7.142 1.00 0.00 N ATOM 0 H ARG A 54 -12.729 4.735 -8.058 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.522 4.484 -7.102 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.704 2.685 -8.701 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.481 2.267 -7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.246 0.728 -7.160 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.377 1.885 -5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -17.281 2.918 -6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.922 2.383 -8.391 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.373 0.037 -6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -19.127 2.956 -7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -20.701 2.155 -7.804 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.399 -0.986 -6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.855 -0.067 -7.269 1.00 0.00 H new ATOM 843 N THR A 55 -14.848 4.320 -4.721 1.00 0.00 N ATOM 844 CA THR A 55 -14.458 4.378 -3.318 1.00 0.00 C ATOM 845 C THR A 55 -14.903 3.126 -2.571 1.00 0.00 C ATOM 846 O THR A 55 -15.946 3.119 -1.918 1.00 0.00 O ATOM 847 CB THR A 55 -15.052 5.617 -2.620 1.00 0.00 C ATOM 848 OG1 THR A 55 -16.474 5.638 -2.788 1.00 0.00 O ATOM 849 CG2 THR A 55 -14.451 6.895 -3.183 1.00 0.00 C ATOM 0 H THR A 55 -15.851 4.413 -4.884 1.00 0.00 H new ATOM 0 HA THR A 55 -13.370 4.444 -3.295 1.00 0.00 H new ATOM 0 HB THR A 55 -14.812 5.559 -1.558 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.855 4.796 -2.460 1.00 0.00 H new ATOM 0 HG21 THR A 55 -14.886 7.756 -2.675 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.372 6.889 -3.028 1.00 0.00 H new ATOM 0 HG23 THR A 55 -14.664 6.958 -4.250 1.00 0.00 H new ATOM 857 N ASP A 56 -14.105 2.069 -2.672 1.00 0.00 N ATOM 858 CA ASP A 56 -14.416 0.810 -2.004 1.00 0.00 C ATOM 859 C ASP A 56 -13.643 0.684 -0.694 1.00 0.00 C ATOM 860 O ASP A 56 -14.233 0.664 0.385 1.00 0.00 O ATOM 861 CB ASP A 56 -14.090 -0.372 -2.918 1.00 0.00 C ATOM 862 CG ASP A 56 -14.210 -1.705 -2.207 1.00 0.00 C ATOM 863 OD1 ASP A 56 -13.315 -2.029 -1.398 1.00 0.00 O ATOM 864 OD2 ASP A 56 -15.200 -2.424 -2.458 1.00 0.00 O ATOM 0 H ASP A 56 -13.238 2.058 -3.210 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.482 0.801 -1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.762 -0.360 -3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.077 -0.260 -3.305 1.00 0.00 H new ATOM 869 N GLU A 57 -12.321 0.599 -0.800 1.00 0.00 N ATOM 870 CA GLU A 57 -11.468 0.473 0.376 1.00 0.00 C ATOM 871 C GLU A 57 -10.208 1.321 0.228 1.00 0.00 C ATOM 872 O GLU A 57 -9.298 0.972 -0.525 1.00 0.00 O ATOM 873 CB GLU A 57 -11.087 -0.992 0.603 1.00 0.00 C ATOM 874 CG GLU A 57 -12.142 -1.786 1.354 1.00 0.00 C ATOM 875 CD GLU A 57 -12.000 -1.668 2.859 1.00 0.00 C ATOM 876 OE1 GLU A 57 -10.941 -2.068 3.388 1.00 0.00 O ATOM 877 OE2 GLU A 57 -12.946 -1.175 3.509 1.00 0.00 O ATOM 0 H GLU A 57 -11.818 0.615 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.028 0.833 1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.907 -1.465 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.150 -1.033 1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.132 -1.439 1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.074 -2.835 1.068 1.00 0.00 H new ATOM 884 N ILE A 58 -10.163 2.435 0.951 1.00 0.00 N ATOM 885 CA ILE A 58 -9.015 3.332 0.900 1.00 0.00 C ATOM 886 C ILE A 58 -8.192 3.244 2.180 1.00 0.00 C ATOM 887 O ILE A 58 -8.703 3.472 3.276 1.00 0.00 O ATOM 888 CB ILE A 58 -9.452 4.793 0.683 1.00 0.00 C ATOM 889 CG1 ILE A 58 -10.310 4.910 -0.578 1.00 0.00 C ATOM 890 CG2 ILE A 58 -8.235 5.701 0.589 1.00 0.00 C ATOM 891 CD1 ILE A 58 -10.962 6.265 -0.741 1.00 0.00 C ATOM 0 H ILE A 58 -10.908 2.738 1.579 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.403 3.015 0.055 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.051 5.108 1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -9.689 4.707 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.085 4.144 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.560 6.730 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.660 5.636 1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.612 5.389 -0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -11.555 6.276 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.610 6.462 0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.192 7.035 -0.798 1.00 0.00 H new ATOM 903 N MET A 59 -6.913 2.913 2.033 1.00 0.00 N ATOM 904 CA MET A 59 -6.017 2.797 3.178 1.00 0.00 C ATOM 905 C MET A 59 -5.056 3.981 3.238 1.00 0.00 C ATOM 906 O MET A 59 -4.835 4.682 2.251 1.00 0.00 O ATOM 907 CB MET A 59 -5.228 1.488 3.106 1.00 0.00 C ATOM 908 CG MET A 59 -5.921 0.323 3.792 1.00 0.00 C ATOM 909 SD MET A 59 -7.051 -0.557 2.696 1.00 0.00 S ATOM 910 CE MET A 59 -7.788 -1.725 3.837 1.00 0.00 C ATOM 0 H MET A 59 -6.474 2.720 1.133 1.00 0.00 H new ATOM 0 HA MET A 59 -6.624 2.797 4.084 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.057 1.233 2.060 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.249 1.638 3.562 1.00 0.00 H new ATOM 0 HG2 MET A 59 -5.170 -0.372 4.167 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.473 0.692 4.656 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.389 -2.446 3.282 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.001 -2.250 4.379 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.423 -1.191 4.545 1.00 0.00 H new ATOM 920 N PRO A 60 -4.472 4.210 4.423 1.00 0.00 N ATOM 921 CA PRO A 60 -3.525 5.308 4.640 1.00 0.00 C ATOM 922 C PRO A 60 -2.200 5.082 3.919 1.00 0.00 C ATOM 923 O PRO A 60 -1.463 6.029 3.647 1.00 0.00 O ATOM 924 CB PRO A 60 -3.317 5.303 6.156 1.00 0.00 C ATOM 925 CG PRO A 60 -3.616 3.905 6.575 1.00 0.00 C ATOM 926 CD PRO A 60 -4.689 3.414 5.643 1.00 0.00 C ATOM 0 HA PRO A 60 -3.902 6.254 4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.297 5.585 6.416 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.980 6.014 6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.726 3.279 6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.954 3.872 7.611 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.594 2.346 5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.685 3.575 6.056 1.00 0.00 H new ATOM 934 N GLU A 61 -1.905 3.823 3.614 1.00 0.00 N ATOM 935 CA GLU A 61 -0.668 3.474 2.925 1.00 0.00 C ATOM 936 C GLU A 61 -0.639 4.074 1.522 1.00 0.00 C ATOM 937 O GLU A 61 0.430 4.329 0.967 1.00 0.00 O ATOM 938 CB GLU A 61 -0.514 1.954 2.845 1.00 0.00 C ATOM 939 CG GLU A 61 0.089 1.337 4.096 1.00 0.00 C ATOM 940 CD GLU A 61 1.605 1.377 4.093 1.00 0.00 C ATOM 941 OE1 GLU A 61 2.208 0.929 3.095 1.00 0.00 O ATOM 942 OE2 GLU A 61 2.188 1.855 5.089 1.00 0.00 O ATOM 0 H GLU A 61 -2.505 3.028 3.833 1.00 0.00 H new ATOM 0 HA GLU A 61 0.164 3.887 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.492 1.507 2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.113 1.705 1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.283 1.866 4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.243 0.303 4.183 1.00 0.00 H new ATOM 949 N ASP A 62 -1.820 4.296 0.956 1.00 0.00 N ATOM 950 CA ASP A 62 -1.931 4.866 -0.382 1.00 0.00 C ATOM 951 C ASP A 62 -1.119 6.153 -0.494 1.00 0.00 C ATOM 952 O ASP A 62 -1.151 7.000 0.399 1.00 0.00 O ATOM 953 CB ASP A 62 -3.397 5.143 -0.721 1.00 0.00 C ATOM 954 CG ASP A 62 -3.608 5.413 -2.198 1.00 0.00 C ATOM 955 OD1 ASP A 62 -2.612 5.403 -2.951 1.00 0.00 O ATOM 956 OD2 ASP A 62 -4.769 5.634 -2.601 1.00 0.00 O ATOM 0 H ASP A 62 -2.714 4.090 1.402 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.531 4.142 -1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.004 4.289 -0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.745 6.000 -0.144 1.00 0.00 H new ATOM 961 N LYS A 63 -0.389 6.292 -1.596 1.00 0.00 N ATOM 962 CA LYS A 63 0.432 7.474 -1.826 1.00 0.00 C ATOM 963 C LYS A 63 0.140 8.082 -3.194 1.00 0.00 C ATOM 964 O LYS A 63 -0.221 7.374 -4.135 1.00 0.00 O ATOM 965 CB LYS A 63 1.917 7.117 -1.720 1.00 0.00 C ATOM 966 CG LYS A 63 2.833 8.329 -1.697 1.00 0.00 C ATOM 967 CD LYS A 63 4.253 7.946 -1.315 1.00 0.00 C ATOM 968 CE LYS A 63 5.270 8.905 -1.915 1.00 0.00 C ATOM 969 NZ LYS A 63 5.429 10.134 -1.089 1.00 0.00 N ATOM 0 H LYS A 63 -0.350 5.600 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 63 0.186 8.211 -1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.078 6.533 -0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.190 6.481 -2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.834 8.804 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.450 9.063 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.351 7.943 -0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.462 6.932 -1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.233 8.402 -2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.958 9.182 -2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.130 10.761 -1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.516 10.628 -1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.752 9.872 -0.136 1.00 0.00 H new ATOM 983 N THR A 64 0.301 9.397 -3.299 1.00 0.00 N ATOM 984 CA THR A 64 0.054 10.100 -4.552 1.00 0.00 C ATOM 985 C THR A 64 1.089 9.723 -5.606 1.00 0.00 C ATOM 986 O THR A 64 2.268 9.547 -5.298 1.00 0.00 O ATOM 987 CB THR A 64 0.074 11.627 -4.353 1.00 0.00 C ATOM 988 OG1 THR A 64 -0.392 11.956 -3.040 1.00 0.00 O ATOM 989 CG2 THR A 64 -0.794 12.319 -5.393 1.00 0.00 C ATOM 0 H THR A 64 0.602 9.997 -2.531 1.00 0.00 H new ATOM 0 HA THR A 64 -0.936 9.799 -4.894 1.00 0.00 H new ATOM 0 HB THR A 64 1.101 11.973 -4.471 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.375 12.929 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.765 13.397 -5.233 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.419 12.090 -6.391 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.821 11.967 -5.302 1.00 0.00 H new ATOM 997 N VAL A 65 0.641 9.601 -6.851 1.00 0.00 N ATOM 998 CA VAL A 65 1.529 9.246 -7.952 1.00 0.00 C ATOM 999 C VAL A 65 1.619 10.377 -8.971 1.00 0.00 C ATOM 1000 O VAL A 65 2.603 10.492 -9.700 1.00 0.00 O ATOM 1001 CB VAL A 65 1.056 7.965 -8.664 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -0.258 8.210 -9.389 1.00 0.00 C ATOM 1003 CG2 VAL A 65 2.122 7.468 -9.629 1.00 0.00 C ATOM 0 H VAL A 65 -0.332 9.743 -7.123 1.00 0.00 H new ATOM 0 HA VAL A 65 2.514 9.070 -7.520 1.00 0.00 H new ATOM 0 HB VAL A 65 0.890 7.193 -7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.576 7.293 -9.886 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.018 8.516 -8.670 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.123 8.997 -10.131 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.771 6.562 -10.124 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.322 8.235 -10.377 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.037 7.250 -9.079 1.00 0.00 H new ATOM 1013 N GLY A 66 0.584 11.210 -9.016 1.00 0.00 N ATOM 1014 CA GLY A 66 0.566 12.322 -9.949 1.00 0.00 C ATOM 1015 C GLY A 66 -0.811 12.940 -10.088 1.00 0.00 C ATOM 1016 O GLY A 66 -1.799 12.387 -9.605 1.00 0.00 O ATOM 0 H GLY A 66 -0.243 11.135 -8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.271 13.084 -9.615 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.907 11.978 -10.926 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.877 14.091 -10.749 1.00 0.00 N ATOM 1021 CA PHE A 67 -2.143 14.787 -10.948 1.00 0.00 C ATOM 1022 C PHE A 67 -2.253 15.318 -12.374 1.00 0.00 C ATOM 1023 O PHE A 67 -1.246 15.606 -13.021 1.00 0.00 O ATOM 1024 CB PHE A 67 -2.278 15.939 -9.950 1.00 0.00 C ATOM 1025 CG PHE A 67 -1.075 16.837 -9.904 1.00 0.00 C ATOM 1026 CD1 PHE A 67 -0.911 17.847 -10.838 1.00 0.00 C ATOM 1027 CD2 PHE A 67 -0.106 16.669 -8.928 1.00 0.00 C ATOM 1028 CE1 PHE A 67 0.195 18.675 -10.798 1.00 0.00 C ATOM 1029 CE2 PHE A 67 1.002 17.494 -8.883 1.00 0.00 C ATOM 1030 CZ PHE A 67 1.153 18.498 -9.820 1.00 0.00 C ATOM 0 H PHE A 67 -0.069 14.561 -11.156 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.951 14.075 -10.781 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.155 16.533 -10.209 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.453 15.529 -8.955 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.656 17.989 -11.607 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.218 15.885 -8.194 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.310 19.460 -11.531 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.749 17.354 -8.116 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.019 19.143 -9.787 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.484 15.444 -12.859 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.728 15.941 -14.208 1.00 0.00 C ATOM 1042 C VAL A 68 -4.776 17.048 -14.205 1.00 0.00 C ATOM 1043 O VAL A 68 -5.945 16.810 -13.903 1.00 0.00 O ATOM 1044 CB VAL A 68 -4.192 14.812 -15.146 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.454 15.352 -16.543 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.163 13.693 -15.183 1.00 0.00 C ATOM 0 H VAL A 68 -4.328 15.209 -12.337 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.783 16.342 -14.574 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.126 14.403 -14.759 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.781 14.539 -17.192 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.231 16.116 -16.498 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.538 15.789 -16.942 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.508 12.904 -15.851 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.212 14.085 -15.545 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.030 13.287 -14.180 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.349 18.261 -14.543 1.00 0.00 N ATOM 1057 CA VAL A 69 -5.251 19.406 -14.582 1.00 0.00 C ATOM 1058 C VAL A 69 -5.870 19.571 -15.965 1.00 0.00 C ATOM 1059 O VAL A 69 -5.164 19.766 -16.954 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.522 20.707 -14.199 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.503 21.867 -14.126 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.786 20.537 -12.878 1.00 0.00 C ATOM 0 H VAL A 69 -3.384 18.476 -14.794 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.040 19.213 -13.855 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.787 20.932 -14.972 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.970 22.778 -13.854 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.980 22.002 -15.097 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.263 21.654 -13.375 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.277 21.466 -12.623 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.500 20.288 -12.093 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.053 19.735 -12.970 1.00 0.00 H new ATOM 1072 N VAL A 70 -7.196 19.492 -16.027 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.912 19.635 -17.289 1.00 0.00 C ATOM 1074 C VAL A 70 -9.048 20.643 -17.164 1.00 0.00 C ATOM 1075 O VAL A 70 -10.051 20.385 -16.500 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.486 18.287 -17.764 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.263 18.464 -19.059 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.373 17.265 -17.936 1.00 0.00 C ATOM 0 H VAL A 70 -7.796 19.330 -15.218 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.191 19.993 -18.024 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.174 17.917 -17.004 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.661 17.501 -19.379 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.085 19.161 -18.898 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.600 18.857 -19.830 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.797 16.319 -18.272 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.659 17.626 -18.676 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.865 17.117 -16.983 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.884 21.794 -17.809 1.00 0.00 N ATOM 1089 CA ASN A 71 -9.897 22.843 -17.771 1.00 0.00 C ATOM 1090 C ASN A 71 -10.319 23.243 -19.182 1.00 0.00 C ATOM 1091 O ASN A 71 -9.686 24.090 -19.812 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.367 24.065 -17.019 1.00 0.00 C ATOM 1093 CG ASN A 71 -8.945 23.732 -15.601 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -9.643 23.014 -14.885 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -7.795 24.255 -15.188 1.00 0.00 N ATOM 0 H ASN A 71 -8.060 22.024 -18.364 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.770 22.453 -17.247 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.517 24.481 -17.560 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.137 24.836 -16.995 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.459 24.066 -14.244 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.248 24.845 -15.816 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.391 22.629 -19.670 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.899 22.924 -21.004 1.00 0.00 C ATOM 1104 C ALA A 72 -12.312 24.387 -21.124 1.00 0.00 C ATOM 1105 O ALA A 72 -12.315 24.953 -22.217 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.073 22.013 -21.334 1.00 0.00 C ATOM 0 H ALA A 72 -11.925 21.924 -19.162 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.098 22.741 -21.720 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.443 22.244 -22.333 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.748 20.973 -21.299 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.870 22.169 -20.607 1.00 0.00 H new ATOM 1112 N ASP A 73 -12.661 24.993 -19.994 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.075 26.391 -19.973 1.00 0.00 C ATOM 1114 C ASP A 73 -11.965 27.295 -20.499 1.00 0.00 C ATOM 1115 O ASP A 73 -12.182 28.101 -21.403 1.00 0.00 O ATOM 1116 CB ASP A 73 -13.460 26.809 -18.553 1.00 0.00 C ATOM 1117 CG ASP A 73 -12.437 26.373 -17.523 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -12.429 25.177 -17.164 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -11.643 27.228 -17.075 1.00 0.00 O ATOM 0 H ASP A 73 -12.665 24.538 -19.081 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.943 26.497 -20.623 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.571 27.893 -18.514 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.430 26.380 -18.302 1.00 0.00 H new ATOM 1124 N LYS A 74 -10.774 27.155 -19.926 1.00 0.00 N ATOM 1125 CA LYS A 74 -9.628 27.958 -20.336 1.00 0.00 C ATOM 1126 C LYS A 74 -8.733 27.180 -21.295 1.00 0.00 C ATOM 1127 O LYS A 74 -7.627 27.613 -21.618 1.00 0.00 O ATOM 1128 CB LYS A 74 -8.822 28.397 -19.111 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.528 29.437 -18.259 1.00 0.00 C ATOM 1130 CD LYS A 74 -8.845 29.611 -16.913 1.00 0.00 C ATOM 1131 CE LYS A 74 -7.749 30.664 -16.976 1.00 0.00 C ATOM 1132 NZ LYS A 74 -8.270 32.026 -16.677 1.00 0.00 N ATOM 0 H LYS A 74 -10.577 26.492 -19.176 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.002 28.842 -20.853 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.605 27.523 -18.497 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.865 28.800 -19.442 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.544 30.391 -18.786 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.566 29.140 -18.106 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.583 29.897 -16.164 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.419 28.660 -16.594 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.962 30.412 -16.265 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.296 30.658 -17.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.492 32.715 -16.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.003 32.277 -17.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.679 32.039 -15.721 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.219 26.029 -21.747 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.465 25.190 -22.672 1.00 0.00 C ATOM 1148 C LYS A 75 -7.058 24.926 -22.144 1.00 0.00 C ATOM 1149 O LYS A 75 -6.074 25.071 -22.870 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.388 25.854 -24.048 1.00 0.00 C ATOM 1151 CG LYS A 75 -9.746 26.100 -24.682 1.00 0.00 C ATOM 1152 CD LYS A 75 -9.659 27.108 -25.815 1.00 0.00 C ATOM 1153 CE LYS A 75 -11.033 27.424 -26.387 1.00 0.00 C ATOM 1154 NZ LYS A 75 -11.678 26.220 -26.979 1.00 0.00 N ATOM 0 H LYS A 75 -10.132 25.655 -21.488 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.985 24.236 -22.764 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.863 26.804 -23.954 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.795 25.226 -24.712 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.147 25.160 -25.060 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.442 26.462 -23.925 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.195 28.025 -25.452 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.017 26.716 -26.604 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.670 27.827 -25.600 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.940 28.198 -27.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.538 26.503 -27.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.018 25.762 -27.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.929 25.553 -26.222 1.00 0.00 H new ATOM 1168 N LEU A 76 -6.971 24.538 -20.876 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.684 24.252 -20.251 1.00 0.00 C ATOM 1170 C LEU A 76 -5.548 22.765 -19.940 1.00 0.00 C ATOM 1171 O LEU A 76 -6.384 22.187 -19.247 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.525 25.070 -18.968 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.984 26.527 -19.040 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -5.960 27.162 -17.658 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -5.110 27.314 -20.006 1.00 0.00 C ATOM 0 H LEU A 76 -7.775 24.414 -20.261 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.897 24.531 -20.952 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.081 24.574 -18.173 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.474 25.055 -18.679 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.009 26.548 -19.410 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.290 28.199 -17.728 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.628 26.613 -16.994 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.946 27.130 -17.260 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.451 28.349 -20.045 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.075 27.286 -19.666 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.177 26.872 -21.000 1.00 0.00 H new ATOM 1187 N MET A 77 -4.487 22.152 -20.456 1.00 0.00 N ATOM 1188 CA MET A 77 -4.240 20.733 -20.230 1.00 0.00 C ATOM 1189 C MET A 77 -2.827 20.504 -19.704 1.00 0.00 C ATOM 1190 O MET A 77 -1.846 20.850 -20.362 1.00 0.00 O ATOM 1191 CB MET A 77 -4.449 19.945 -21.525 1.00 0.00 C ATOM 1192 CG MET A 77 -5.896 19.911 -21.989 1.00 0.00 C ATOM 1193 SD MET A 77 -6.334 21.335 -23.004 1.00 0.00 S ATOM 1194 CE MET A 77 -8.118 21.186 -23.045 1.00 0.00 C ATOM 0 H MET A 77 -3.785 22.616 -21.033 1.00 0.00 H new ATOM 0 HA MET A 77 -4.949 20.381 -19.480 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.834 20.384 -22.311 1.00 0.00 H new ATOM 0 HB3 MET A 77 -4.099 18.923 -21.379 1.00 0.00 H new ATOM 0 HG2 MET A 77 -6.070 18.997 -22.558 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.552 19.875 -21.119 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.537 21.999 -23.638 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.393 20.231 -23.492 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.511 21.238 -22.030 1.00 0.00 H new ATOM 1204 N SER A 78 -2.730 19.921 -18.513 1.00 0.00 N ATOM 1205 CA SER A 78 -1.437 19.650 -17.897 1.00 0.00 C ATOM 1206 C SER A 78 -1.449 18.306 -17.176 1.00 0.00 C ATOM 1207 O SER A 78 -2.393 17.985 -16.453 1.00 0.00 O ATOM 1208 CB SER A 78 -1.073 20.765 -16.915 1.00 0.00 C ATOM 1209 OG SER A 78 -1.388 22.039 -17.450 1.00 0.00 O ATOM 0 H SER A 78 -3.532 19.627 -17.956 1.00 0.00 H new ATOM 0 HA SER A 78 -0.687 19.612 -18.687 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.610 20.618 -15.978 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.009 20.717 -16.684 1.00 0.00 H new ATOM 0 HG SER A 78 -1.147 22.734 -16.803 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.394 17.523 -17.379 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.282 16.213 -16.748 1.00 0.00 C ATOM 1217 C VAL A 79 1.071 16.047 -16.065 1.00 0.00 C ATOM 1218 O VAL A 79 2.113 16.339 -16.650 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.471 15.079 -17.772 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -1.842 15.170 -18.424 1.00 0.00 C ATOM 1221 CG2 VAL A 79 0.631 15.119 -18.820 1.00 0.00 C ATOM 0 H VAL A 79 0.395 17.773 -17.975 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.073 16.152 -16.001 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.408 14.126 -17.248 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.957 14.360 -19.145 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.615 15.088 -17.660 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.939 16.127 -18.936 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.482 14.311 -19.536 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.602 16.076 -19.342 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.599 15.000 -18.334 1.00 0.00 H new ATOM 1231 N SER A 80 1.046 15.575 -14.822 1.00 0.00 N ATOM 1232 CA SER A 80 2.271 15.372 -14.057 1.00 0.00 C ATOM 1233 C SER A 80 2.156 14.139 -13.166 1.00 0.00 C ATOM 1234 O SER A 80 1.507 14.172 -12.120 1.00 0.00 O ATOM 1235 CB SER A 80 2.574 16.605 -13.204 1.00 0.00 C ATOM 1236 OG SER A 80 2.753 17.754 -14.014 1.00 0.00 O ATOM 0 H SER A 80 0.191 15.326 -14.324 1.00 0.00 H new ATOM 0 HA SER A 80 3.089 15.216 -14.761 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.758 16.775 -12.502 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.472 16.430 -12.612 1.00 0.00 H new ATOM 0 HG SER A 80 2.944 18.529 -13.445 1.00 0.00 H new ATOM 1242 N PHE A 81 2.793 13.051 -13.588 1.00 0.00 N ATOM 1243 CA PHE A 81 2.763 11.806 -12.829 1.00 0.00 C ATOM 1244 C PHE A 81 4.041 11.003 -13.051 1.00 0.00 C ATOM 1245 O PHE A 81 4.647 11.063 -14.121 1.00 0.00 O ATOM 1246 CB PHE A 81 1.546 10.969 -13.230 1.00 0.00 C ATOM 1247 CG PHE A 81 1.579 10.509 -14.660 1.00 0.00 C ATOM 1248 CD1 PHE A 81 1.336 11.399 -15.693 1.00 0.00 C ATOM 1249 CD2 PHE A 81 1.855 9.187 -14.970 1.00 0.00 C ATOM 1250 CE1 PHE A 81 1.365 10.979 -17.009 1.00 0.00 C ATOM 1251 CE2 PHE A 81 1.886 8.761 -16.284 1.00 0.00 C ATOM 1252 CZ PHE A 81 1.641 9.658 -17.305 1.00 0.00 C ATOM 0 H PHE A 81 3.336 13.007 -14.451 1.00 0.00 H new ATOM 0 HA PHE A 81 2.691 12.056 -11.771 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.483 10.098 -12.578 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.642 11.555 -13.066 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.121 12.433 -15.467 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.048 8.481 -14.175 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.172 11.683 -17.805 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.102 7.728 -16.512 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.665 9.328 -18.333 1.00 0.00 H new ATOM 1262 N SER A 82 4.446 10.253 -12.031 1.00 0.00 N ATOM 1263 CA SER A 82 5.655 9.441 -12.112 1.00 0.00 C ATOM 1264 C SER A 82 5.342 7.972 -11.842 1.00 0.00 C ATOM 1265 O SER A 82 4.178 7.579 -11.761 1.00 0.00 O ATOM 1266 CB SER A 82 6.699 9.944 -11.113 1.00 0.00 C ATOM 1267 OG SER A 82 8.004 9.546 -11.496 1.00 0.00 O ATOM 0 H SER A 82 3.955 10.191 -11.139 1.00 0.00 H new ATOM 0 HA SER A 82 6.056 9.529 -13.122 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.651 11.031 -11.048 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.474 9.555 -10.120 1.00 0.00 H new ATOM 0 HG SER A 82 8.653 9.881 -10.843 1.00 0.00 H new ATOM 1273 N ASP A 83 6.389 7.167 -11.704 1.00 0.00 N ATOM 1274 CA ASP A 83 6.228 5.741 -11.442 1.00 0.00 C ATOM 1275 C ASP A 83 5.522 5.052 -12.604 1.00 0.00 C ATOM 1276 O ASP A 83 4.508 4.379 -12.416 1.00 0.00 O ATOM 1277 CB ASP A 83 5.441 5.524 -10.149 1.00 0.00 C ATOM 1278 CG ASP A 83 5.773 6.556 -9.088 1.00 0.00 C ATOM 1279 OD1 ASP A 83 6.885 6.490 -8.525 1.00 0.00 O ATOM 1280 OD2 ASP A 83 4.920 7.428 -8.821 1.00 0.00 O ATOM 0 H ASP A 83 7.359 7.477 -11.769 1.00 0.00 H new ATOM 0 HA ASP A 83 7.220 5.302 -11.332 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.374 5.561 -10.366 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.653 4.528 -9.761 1.00 0.00 H new ATOM 1285 N ILE A 84 6.062 5.225 -13.806 1.00 0.00 N ATOM 1286 CA ILE A 84 5.483 4.619 -14.998 1.00 0.00 C ATOM 1287 C ILE A 84 6.565 4.023 -15.892 1.00 0.00 C ATOM 1288 O ILE A 84 7.744 4.018 -15.538 1.00 0.00 O ATOM 1289 CB ILE A 84 4.668 5.643 -15.811 1.00 0.00 C ATOM 1290 CG1 ILE A 84 5.577 6.767 -16.314 1.00 0.00 C ATOM 1291 CG2 ILE A 84 3.536 6.208 -14.966 1.00 0.00 C ATOM 1292 CD1 ILE A 84 4.869 7.762 -17.206 1.00 0.00 C ATOM 0 H ILE A 84 6.900 5.780 -13.980 1.00 0.00 H new ATOM 0 HA ILE A 84 4.818 3.825 -14.657 1.00 0.00 H new ATOM 0 HB ILE A 84 4.234 5.138 -16.674 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.998 7.294 -15.458 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.412 6.330 -16.861 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.969 6.930 -15.553 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.877 5.398 -14.652 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.950 6.701 -14.086 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.573 8.530 -17.525 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.472 7.248 -18.081 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.051 8.226 -16.656 1.00 0.00 H new ATOM 1304 N ASP A 85 6.156 3.523 -17.053 1.00 0.00 N ATOM 1305 CA ASP A 85 7.091 2.927 -18.001 1.00 0.00 C ATOM 1306 C ASP A 85 7.488 3.932 -19.078 1.00 0.00 C ATOM 1307 O ASP A 85 6.732 4.851 -19.390 1.00 0.00 O ATOM 1308 CB ASP A 85 6.473 1.686 -18.647 1.00 0.00 C ATOM 1309 CG ASP A 85 6.063 0.644 -17.624 1.00 0.00 C ATOM 1310 OD1 ASP A 85 6.535 0.728 -16.471 1.00 0.00 O ATOM 1311 OD2 ASP A 85 5.272 -0.256 -17.977 1.00 0.00 O ATOM 0 H ASP A 85 5.183 3.518 -17.360 1.00 0.00 H new ATOM 0 HA ASP A 85 7.988 2.635 -17.454 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.601 1.980 -19.231 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.189 1.247 -19.342 1.00 0.00 H new ATOM 1316 N GLU A 86 8.678 3.749 -19.640 1.00 0.00 N ATOM 1317 CA GLU A 86 9.176 4.641 -20.681 1.00 0.00 C ATOM 1318 C GLU A 86 8.328 4.529 -21.944 1.00 0.00 C ATOM 1319 O GLU A 86 8.084 5.521 -22.631 1.00 0.00 O ATOM 1320 CB GLU A 86 10.637 4.320 -21.003 1.00 0.00 C ATOM 1321 CG GLU A 86 10.889 2.848 -21.281 1.00 0.00 C ATOM 1322 CD GLU A 86 11.950 2.257 -20.373 1.00 0.00 C ATOM 1323 OE1 GLU A 86 13.006 2.899 -20.196 1.00 0.00 O ATOM 1324 OE2 GLU A 86 11.723 1.151 -19.839 1.00 0.00 O ATOM 0 H GLU A 86 9.315 2.992 -19.393 1.00 0.00 H new ATOM 0 HA GLU A 86 9.110 5.664 -20.310 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.946 4.903 -21.871 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.262 4.636 -20.168 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.959 2.294 -21.156 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.196 2.725 -22.320 1.00 0.00 H new ATOM 1331 N ASN A 87 7.883 3.314 -22.245 1.00 0.00 N ATOM 1332 CA ASN A 87 7.063 3.071 -23.427 1.00 0.00 C ATOM 1333 C ASN A 87 5.688 3.714 -23.277 1.00 0.00 C ATOM 1334 O ASN A 87 5.158 4.297 -24.222 1.00 0.00 O ATOM 1335 CB ASN A 87 6.911 1.568 -23.668 1.00 0.00 C ATOM 1336 CG ASN A 87 8.244 0.882 -23.900 1.00 0.00 C ATOM 1337 OD1 ASN A 87 9.154 1.456 -24.499 1.00 0.00 O ATOM 1338 ND2 ASN A 87 8.365 -0.353 -23.426 1.00 0.00 N ATOM 0 H ASN A 87 8.076 2.482 -21.687 1.00 0.00 H new ATOM 0 HA ASN A 87 7.564 3.521 -24.284 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.416 1.113 -22.810 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.266 1.405 -24.531 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.238 -0.864 -23.552 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.585 -0.790 -22.936 1.00 0.00 H new ATOM 1345 N MET A 88 5.116 3.604 -22.082 1.00 0.00 N ATOM 1346 CA MET A 88 3.804 4.177 -21.807 1.00 0.00 C ATOM 1347 C MET A 88 3.794 5.675 -22.093 1.00 0.00 C ATOM 1348 O MET A 88 2.755 6.248 -22.423 1.00 0.00 O ATOM 1349 CB MET A 88 3.406 3.921 -20.352 1.00 0.00 C ATOM 1350 CG MET A 88 1.934 3.587 -20.174 1.00 0.00 C ATOM 1351 SD MET A 88 1.559 2.955 -18.528 1.00 0.00 S ATOM 1352 CE MET A 88 1.446 4.481 -17.597 1.00 0.00 C ATOM 0 H MET A 88 5.541 3.123 -21.289 1.00 0.00 H new ATOM 0 HA MET A 88 3.080 3.695 -22.464 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.006 3.101 -19.959 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.644 4.803 -19.758 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.338 4.480 -20.360 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.641 2.847 -20.919 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.413 4.255 -16.531 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.316 5.102 -17.810 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.540 5.015 -17.883 1.00 0.00 H new ATOM 1362 N LYS A 89 4.956 6.305 -21.964 1.00 0.00 N ATOM 1363 CA LYS A 89 5.083 7.737 -22.210 1.00 0.00 C ATOM 1364 C LYS A 89 4.672 8.083 -23.638 1.00 0.00 C ATOM 1365 O LYS A 89 4.252 9.205 -23.920 1.00 0.00 O ATOM 1366 CB LYS A 89 6.521 8.194 -21.956 1.00 0.00 C ATOM 1367 CG LYS A 89 6.626 9.627 -21.465 1.00 0.00 C ATOM 1368 CD LYS A 89 8.053 10.142 -21.549 1.00 0.00 C ATOM 1369 CE LYS A 89 8.184 11.524 -20.927 1.00 0.00 C ATOM 1370 NZ LYS A 89 7.898 11.504 -19.465 1.00 0.00 N ATOM 0 H LYS A 89 5.825 5.846 -21.690 1.00 0.00 H new ATOM 0 HA LYS A 89 4.416 8.258 -21.523 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.979 7.532 -21.221 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.094 8.092 -22.878 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.972 10.265 -22.060 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.277 9.686 -20.434 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.722 9.448 -21.040 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.366 10.180 -22.592 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.192 11.904 -21.095 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.498 12.211 -21.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.268 12.372 -19.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.871 11.450 -19.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.356 10.676 -19.033 1.00 0.00 H new ATOM 1384 N LYS A 90 4.796 7.111 -24.536 1.00 0.00 N ATOM 1385 CA LYS A 90 4.436 7.311 -25.934 1.00 0.00 C ATOM 1386 C LYS A 90 2.928 7.480 -26.089 1.00 0.00 C ATOM 1387 O LYS A 90 2.458 8.473 -26.644 1.00 0.00 O ATOM 1388 CB LYS A 90 4.916 6.129 -26.780 1.00 0.00 C ATOM 1389 CG LYS A 90 5.153 6.481 -28.238 1.00 0.00 C ATOM 1390 CD LYS A 90 6.421 7.299 -28.416 1.00 0.00 C ATOM 1391 CE LYS A 90 6.826 7.389 -29.879 1.00 0.00 C ATOM 1392 NZ LYS A 90 7.846 8.449 -30.108 1.00 0.00 N ATOM 0 H LYS A 90 5.143 6.177 -24.320 1.00 0.00 H new ATOM 0 HA LYS A 90 4.924 8.222 -26.282 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.841 5.740 -26.354 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.178 5.329 -26.723 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.223 5.567 -28.827 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.300 7.042 -28.621 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.267 8.302 -28.018 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.230 6.848 -27.841 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.222 6.427 -30.206 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.945 7.595 -30.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.096 8.478 -31.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.460 9.371 -29.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.696 8.239 -29.547 1.00 0.00 H new ATOM 1406 N VAL A 91 2.173 6.504 -25.593 1.00 0.00 N ATOM 1407 CA VAL A 91 0.718 6.547 -25.674 1.00 0.00 C ATOM 1408 C VAL A 91 0.155 7.693 -24.841 1.00 0.00 C ATOM 1409 O VAL A 91 -0.846 8.308 -25.210 1.00 0.00 O ATOM 1410 CB VAL A 91 0.090 5.224 -25.197 1.00 0.00 C ATOM 1411 CG1 VAL A 91 0.561 4.885 -23.791 1.00 0.00 C ATOM 1412 CG2 VAL A 91 -1.428 5.303 -25.256 1.00 0.00 C ATOM 0 H VAL A 91 2.545 5.674 -25.131 1.00 0.00 H new ATOM 0 HA VAL A 91 0.464 6.704 -26.722 1.00 0.00 H new ATOM 0 HB VAL A 91 0.415 4.426 -25.865 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.107 3.947 -23.471 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.646 4.783 -23.786 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.268 5.682 -23.107 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.855 4.360 -24.916 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.776 6.112 -24.613 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.743 5.494 -26.282 1.00 0.00 H new ATOM 1422 N ILE A 92 0.804 7.974 -23.716 1.00 0.00 N ATOM 1423 CA ILE A 92 0.369 9.047 -22.831 1.00 0.00 C ATOM 1424 C ILE A 92 0.620 10.414 -23.460 1.00 0.00 C ATOM 1425 O ILE A 92 -0.246 11.289 -23.438 1.00 0.00 O ATOM 1426 CB ILE A 92 1.086 8.981 -21.470 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.809 7.640 -20.788 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.645 10.135 -20.582 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.896 7.215 -19.826 1.00 0.00 C ATOM 0 H ILE A 92 1.633 7.473 -23.396 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.701 8.912 -22.675 1.00 0.00 H new ATOM 0 HB ILE A 92 2.160 9.067 -21.637 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.137 7.704 -20.250 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.690 6.871 -21.551 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.161 10.074 -19.624 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.889 11.081 -21.066 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.431 10.078 -20.419 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.632 6.256 -19.380 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.840 7.118 -20.363 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.000 7.964 -19.041 1.00 0.00 H new ATOM 1441 N LYS A 93 1.811 10.590 -24.021 1.00 0.00 N ATOM 1442 CA LYS A 93 2.177 11.849 -24.660 1.00 0.00 C ATOM 1443 C LYS A 93 1.329 12.096 -25.903 1.00 0.00 C ATOM 1444 O LYS A 93 0.944 13.229 -26.188 1.00 0.00 O ATOM 1445 CB LYS A 93 3.661 11.841 -25.036 1.00 0.00 C ATOM 1446 CG LYS A 93 4.588 12.091 -23.859 1.00 0.00 C ATOM 1447 CD LYS A 93 6.048 11.968 -24.262 1.00 0.00 C ATOM 1448 CE LYS A 93 6.558 13.249 -24.905 1.00 0.00 C ATOM 1449 NZ LYS A 93 6.259 13.294 -26.364 1.00 0.00 N ATOM 0 H LYS A 93 2.540 9.877 -24.046 1.00 0.00 H new ATOM 0 HA LYS A 93 1.992 12.655 -23.950 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.908 10.879 -25.485 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.839 12.602 -25.796 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.404 13.086 -23.455 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.368 11.379 -23.064 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.651 11.735 -23.384 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.166 11.138 -24.959 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.102 14.109 -24.414 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.634 13.329 -24.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.065 13.712 -26.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.092 12.329 -26.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.410 13.873 -26.527 1.00 0.00 H new ATOM 1463 N ALA A 94 1.040 11.027 -26.638 1.00 0.00 N ATOM 1464 CA ALA A 94 0.233 11.128 -27.848 1.00 0.00 C ATOM 1465 C ALA A 94 -1.209 11.496 -27.518 1.00 0.00 C ATOM 1466 O ALA A 94 -1.775 12.421 -28.102 1.00 0.00 O ATOM 1467 CB ALA A 94 0.282 9.821 -28.625 1.00 0.00 C ATOM 0 H ALA A 94 1.353 10.082 -26.417 1.00 0.00 H new ATOM 0 HA ALA A 94 0.650 11.922 -28.467 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.325 9.910 -29.526 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.313 9.601 -28.902 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.107 9.014 -28.004 1.00 0.00 H new ATOM 1473 N THR A 95 -1.801 10.766 -26.577 1.00 0.00 N ATOM 1474 CA THR A 95 -3.178 11.015 -26.171 1.00 0.00 C ATOM 1475 C THR A 95 -3.324 12.394 -25.538 1.00 0.00 C ATOM 1476 O THR A 95 -4.330 13.075 -25.736 1.00 0.00 O ATOM 1477 CB THR A 95 -3.670 9.950 -25.172 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.608 8.651 -25.772 1.00 0.00 O ATOM 1479 CG2 THR A 95 -5.096 10.242 -24.729 1.00 0.00 C ATOM 0 H THR A 95 -1.348 9.998 -26.082 1.00 0.00 H new ATOM 0 HA THR A 95 -3.787 10.966 -27.073 1.00 0.00 H new ATOM 0 HB THR A 95 -3.022 9.977 -24.296 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.699 8.294 -25.686 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.422 9.477 -24.024 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.135 11.219 -24.248 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.755 10.239 -25.598 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.314 12.801 -24.776 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.329 14.100 -24.117 1.00 0.00 C ATOM 1489 C ALA A 96 -2.049 15.223 -25.110 1.00 0.00 C ATOM 1490 O ALA A 96 -2.538 16.341 -24.950 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.314 14.129 -22.984 1.00 0.00 C ATOM 0 H ALA A 96 -1.475 12.249 -24.600 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.325 14.258 -23.702 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.336 15.106 -22.501 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.561 13.357 -22.255 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.317 13.945 -23.384 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.259 14.918 -26.134 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.914 15.903 -27.152 1.00 0.00 C ATOM 1499 C GLU A 97 -2.091 16.152 -28.090 1.00 0.00 C ATOM 1500 O GLU A 97 -2.309 17.273 -28.549 1.00 0.00 O ATOM 1501 CB GLU A 97 0.302 15.436 -27.954 1.00 0.00 C ATOM 1502 CG GLU A 97 0.585 16.286 -29.182 1.00 0.00 C ATOM 1503 CD GLU A 97 2.065 16.377 -29.500 1.00 0.00 C ATOM 1504 OE1 GLU A 97 2.663 15.334 -29.837 1.00 0.00 O ATOM 1505 OE2 GLU A 97 2.624 17.489 -29.412 1.00 0.00 O ATOM 0 H GLU A 97 -0.846 13.997 -26.281 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.670 16.838 -26.648 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.179 15.445 -27.307 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.146 14.403 -28.266 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.058 15.866 -30.039 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.189 17.289 -29.024 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.848 15.097 -28.373 1.00 0.00 N ATOM 1513 CA LYS A 98 -4.004 15.198 -29.256 1.00 0.00 C ATOM 1514 C LYS A 98 -4.958 16.288 -28.779 1.00 0.00 C ATOM 1515 O LYS A 98 -5.685 16.882 -29.576 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.738 13.857 -29.324 1.00 0.00 C ATOM 1517 CG LYS A 98 -3.974 12.783 -30.080 1.00 0.00 C ATOM 1518 CD LYS A 98 -4.392 12.724 -31.540 1.00 0.00 C ATOM 1519 CE LYS A 98 -5.447 11.654 -31.775 1.00 0.00 C ATOM 1520 NZ LYS A 98 -4.840 10.359 -32.190 1.00 0.00 N ATOM 0 H LYS A 98 -2.681 14.161 -28.003 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.648 15.461 -30.252 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.933 13.507 -28.310 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.707 14.006 -29.801 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.904 12.982 -30.015 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.147 11.814 -29.612 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.782 13.694 -31.847 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.520 12.519 -32.161 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.026 11.508 -30.863 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.142 11.992 -32.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.591 9.656 -32.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.308 10.492 -33.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.196 10.023 -31.446 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.951 16.547 -27.476 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.815 17.567 -26.894 1.00 0.00 C ATOM 1536 C PHE A 99 -5.564 18.926 -27.540 1.00 0.00 C ATOM 1537 O PHE A 99 -6.430 19.802 -27.528 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.588 17.657 -25.384 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.459 16.726 -24.590 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -6.063 15.420 -24.352 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -7.674 17.157 -24.082 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -6.861 14.560 -23.621 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -8.476 16.302 -23.350 1.00 0.00 C ATOM 1544 CZ PHE A 99 -8.070 15.002 -23.120 1.00 0.00 C ATOM 0 H PHE A 99 -4.356 16.064 -26.803 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.850 17.281 -27.082 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.543 17.436 -25.168 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.772 18.681 -25.057 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.119 15.069 -24.742 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.998 18.172 -24.260 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.540 13.545 -23.442 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.420 16.650 -22.958 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.697 14.332 -22.550 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.373 19.096 -28.103 1.00 0.00 N ATOM 1555 CA LYS A 100 -4.005 20.347 -28.755 1.00 0.00 C ATOM 1556 C LYS A 100 -5.076 20.776 -29.753 1.00 0.00 C ATOM 1557 O LYS A 100 -5.287 21.966 -29.978 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.659 20.199 -29.468 1.00 0.00 C ATOM 1559 CG LYS A 100 -2.304 21.383 -30.349 1.00 0.00 C ATOM 1560 CD LYS A 100 -0.838 21.359 -30.751 1.00 0.00 C ATOM 1561 CE LYS A 100 0.032 22.068 -29.725 1.00 0.00 C ATOM 1562 NZ LYS A 100 1.453 21.628 -29.805 1.00 0.00 N ATOM 0 H LYS A 100 -3.645 18.382 -28.121 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.919 21.116 -27.987 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.875 20.064 -28.722 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.678 19.296 -30.078 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.928 21.373 -31.243 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.522 22.310 -29.819 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.506 20.326 -30.860 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.718 21.836 -31.724 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.024 23.145 -29.883 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.353 21.872 -28.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.014 22.134 -29.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.510 20.605 -29.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.829 21.838 -30.752 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.751 19.797 -30.347 1.00 0.00 N ATOM 1577 CA ASN A 101 -6.801 20.073 -31.320 1.00 0.00 C ATOM 1578 C ASN A 101 -7.821 21.058 -30.755 1.00 0.00 C ATOM 1579 O ASN A 101 -8.332 21.919 -31.472 1.00 0.00 O ATOM 1580 CB ASN A 101 -7.501 18.775 -31.729 1.00 0.00 C ATOM 1581 CG ASN A 101 -6.843 18.116 -32.925 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -7.509 17.770 -33.901 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -5.529 17.938 -32.855 1.00 0.00 N ATOM 0 H ASN A 101 -5.589 18.805 -30.171 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.338 20.521 -32.199 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.496 18.082 -30.888 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.545 18.986 -31.962 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.032 17.499 -33.630 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.017 18.240 -32.026 1.00 0.00 H new ATOM 1590 N LYS A 102 -8.112 20.925 -29.466 1.00 0.00 N ATOM 1591 CA LYS A 102 -9.068 21.803 -28.803 1.00 0.00 C ATOM 1592 C LYS A 102 -8.457 22.429 -27.553 1.00 0.00 C ATOM 1593 O LYS A 102 -9.169 22.795 -26.619 1.00 0.00 O ATOM 1594 CB LYS A 102 -10.333 21.025 -28.430 1.00 0.00 C ATOM 1595 CG LYS A 102 -11.563 21.903 -28.276 1.00 0.00 C ATOM 1596 CD LYS A 102 -12.102 22.350 -29.624 1.00 0.00 C ATOM 1597 CE LYS A 102 -12.888 23.647 -29.508 1.00 0.00 C ATOM 1598 NZ LYS A 102 -13.995 23.537 -28.518 1.00 0.00 N ATOM 0 H LYS A 102 -7.699 20.217 -28.859 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.331 22.602 -29.497 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.527 20.274 -29.196 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.159 20.491 -27.496 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.337 21.356 -27.737 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.314 22.777 -27.675 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.275 22.486 -30.321 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.743 21.571 -30.037 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.217 24.454 -29.214 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.297 23.912 -30.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.589 24.390 -28.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.573 22.700 -28.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.597 23.444 -27.562 1.00 0.00 H new ATOM 1612 N GLY A 103 -7.133 22.549 -27.544 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.449 23.132 -26.404 1.00 0.00 C ATOM 1614 C GLY A 103 -4.948 23.202 -26.603 1.00 0.00 C ATOM 1615 O GLY A 103 -4.207 22.361 -26.094 1.00 0.00 O ATOM 0 H GLY A 103 -6.522 22.253 -28.305 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.836 24.135 -26.226 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.667 22.543 -25.513 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.498 24.207 -27.347 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.075 24.383 -27.614 1.00 0.00 C ATOM 1621 C PHE A 104 -2.271 24.362 -26.318 1.00 0.00 C ATOM 1622 O PHE A 104 -1.112 23.948 -26.299 1.00 0.00 O ATOM 1623 CB PHE A 104 -2.833 25.699 -28.356 1.00 0.00 C ATOM 1624 CG PHE A 104 -3.312 26.908 -27.604 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -4.613 27.362 -27.753 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -2.462 27.591 -26.749 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -5.056 28.474 -27.063 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -2.899 28.704 -26.056 1.00 0.00 C ATOM 1629 CZ PHE A 104 -4.199 29.145 -26.212 1.00 0.00 C ATOM 0 H PHE A 104 -5.098 24.912 -27.776 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.743 23.554 -28.240 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -1.766 25.804 -28.555 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -3.335 25.660 -29.323 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.288 26.841 -28.416 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.445 27.249 -26.623 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.072 28.819 -27.189 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.226 29.228 -25.394 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.545 30.013 -25.670 1.00 0.00 H new ATOM 1639 N LYS A 105 -2.895 24.812 -25.234 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.240 24.845 -23.932 1.00 0.00 C ATOM 1641 C LYS A 105 -2.095 23.439 -23.360 1.00 0.00 C ATOM 1642 O LYS A 105 -2.871 23.025 -22.498 1.00 0.00 O ATOM 1643 CB LYS A 105 -3.034 25.723 -22.961 1.00 0.00 C ATOM 1644 CG LYS A 105 -2.188 26.323 -21.852 1.00 0.00 C ATOM 1645 CD LYS A 105 -1.140 27.275 -22.404 1.00 0.00 C ATOM 1646 CE LYS A 105 -0.739 28.320 -21.374 1.00 0.00 C ATOM 1647 NZ LYS A 105 0.107 27.739 -20.295 1.00 0.00 N ATOM 0 H LYS A 105 -3.854 25.159 -25.232 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.244 25.268 -24.065 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.510 26.529 -23.520 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.832 25.128 -22.516 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.830 26.855 -21.150 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -1.698 25.525 -21.294 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.260 26.710 -22.712 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.529 27.770 -23.294 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.196 29.126 -21.867 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.635 28.760 -20.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.359 28.483 -19.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.420 26.987 -19.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.974 27.341 -20.710 1.00 0.00 H new ATOM 1661 N VAL A 106 -1.095 22.708 -23.844 1.00 0.00 N ATOM 1662 CA VAL A 106 -0.847 21.349 -23.379 1.00 0.00 C ATOM 1663 C VAL A 106 0.539 21.227 -22.755 1.00 0.00 C ATOM 1664 O VAL A 106 1.519 21.740 -23.292 1.00 0.00 O ATOM 1665 CB VAL A 106 -0.972 20.331 -24.528 1.00 0.00 C ATOM 1666 CG1 VAL A 106 0.147 20.527 -25.540 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -0.967 18.911 -23.983 1.00 0.00 C ATOM 0 H VAL A 106 -0.444 23.035 -24.558 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.603 21.129 -22.625 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.922 20.498 -25.037 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.042 19.799 -26.344 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.092 21.534 -25.953 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.110 20.389 -25.049 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.056 18.204 -24.808 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.034 18.730 -23.449 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.807 18.780 -23.301 1.00 0.00 H new ATOM 1677 N GLU A 107 0.611 20.542 -21.618 1.00 0.00 N ATOM 1678 CA GLU A 107 1.878 20.352 -20.920 1.00 0.00 C ATOM 1679 C GLU A 107 1.951 18.963 -20.293 1.00 0.00 C ATOM 1680 O GLU A 107 0.963 18.456 -19.761 1.00 0.00 O ATOM 1681 CB GLU A 107 2.056 21.421 -19.840 1.00 0.00 C ATOM 1682 CG GLU A 107 2.750 22.678 -20.337 1.00 0.00 C ATOM 1683 CD GLU A 107 2.880 23.737 -19.259 1.00 0.00 C ATOM 1684 OE1 GLU A 107 1.858 24.065 -18.623 1.00 0.00 O ATOM 1685 OE2 GLU A 107 4.006 24.238 -19.053 1.00 0.00 O ATOM 0 H GLU A 107 -0.192 20.110 -21.161 1.00 0.00 H new ATOM 0 HA GLU A 107 2.683 20.445 -21.649 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.078 21.690 -19.442 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.631 21.000 -19.015 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.742 22.419 -20.708 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.192 23.088 -21.179 1.00 0.00 H new ATOM 1692 N THR A 108 3.129 18.350 -20.361 1.00 0.00 N ATOM 1693 CA THR A 108 3.332 17.020 -19.802 1.00 0.00 C ATOM 1694 C THR A 108 4.691 16.911 -19.121 1.00 0.00 C ATOM 1695 O THR A 108 5.708 17.337 -19.670 1.00 0.00 O ATOM 1696 CB THR A 108 3.226 15.932 -20.888 1.00 0.00 C ATOM 1697 OG1 THR A 108 4.388 15.961 -21.724 1.00 0.00 O ATOM 1698 CG2 THR A 108 1.980 16.134 -21.736 1.00 0.00 C ATOM 0 H THR A 108 3.957 18.754 -20.798 1.00 0.00 H new ATOM 0 HA THR A 108 2.545 16.864 -19.064 1.00 0.00 H new ATOM 0 HB THR A 108 3.157 14.962 -20.395 1.00 0.00 H new ATOM 0 HG1 THR A 108 4.314 15.266 -22.411 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.927 15.354 -22.496 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.096 16.083 -21.101 1.00 0.00 H new ATOM 0 HG23 THR A 108 2.024 17.110 -22.220 1.00 0.00 H new ATOM 1706 N ASP A 109 4.703 16.338 -17.922 1.00 0.00 N ATOM 1707 CA ASP A 109 5.939 16.171 -17.167 1.00 0.00 C ATOM 1708 C ASP A 109 6.253 14.693 -16.958 1.00 0.00 C ATOM 1709 O ASP A 109 5.433 13.826 -17.257 1.00 0.00 O ATOM 1710 CB ASP A 109 5.834 16.879 -15.815 1.00 0.00 C ATOM 1711 CG ASP A 109 7.192 17.219 -15.232 1.00 0.00 C ATOM 1712 OD1 ASP A 109 7.815 18.191 -15.708 1.00 0.00 O ATOM 1713 OD2 ASP A 109 7.631 16.513 -14.300 1.00 0.00 O ATOM 0 H ASP A 109 3.871 15.982 -17.452 1.00 0.00 H new ATOM 0 HA ASP A 109 6.750 16.618 -17.741 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.253 17.794 -15.931 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.291 16.243 -15.116 1.00 0.00 H new ATOM 1718 N MET A 110 7.447 14.414 -16.444 1.00 0.00 N ATOM 1719 CA MET A 110 7.869 13.040 -16.196 1.00 0.00 C ATOM 1720 C MET A 110 7.498 12.605 -14.782 1.00 0.00 C ATOM 1721 O MET A 110 7.658 11.439 -14.418 1.00 0.00 O ATOM 1722 CB MET A 110 9.378 12.903 -16.405 1.00 0.00 C ATOM 1723 CG MET A 110 10.199 13.870 -15.567 1.00 0.00 C ATOM 1724 SD MET A 110 11.959 13.479 -15.580 1.00 0.00 S ATOM 1725 CE MET A 110 12.609 14.873 -16.497 1.00 0.00 C ATOM 0 H MET A 110 8.138 15.120 -16.192 1.00 0.00 H new ATOM 0 HA MET A 110 7.351 12.393 -16.904 1.00 0.00 H new ATOM 0 HB2 MET A 110 9.678 11.883 -16.166 1.00 0.00 H new ATOM 0 HB3 MET A 110 9.606 13.064 -17.459 1.00 0.00 H new ATOM 0 HG2 MET A 110 10.053 14.883 -15.941 1.00 0.00 H new ATOM 0 HG3 MET A 110 9.835 13.854 -14.540 1.00 0.00 H new ATOM 0 HE1 MET A 110 13.691 14.775 -16.589 1.00 0.00 H new ATOM 0 HE2 MET A 110 12.160 14.896 -17.490 1.00 0.00 H new ATOM 0 HE3 MET A 110 12.372 15.797 -15.970 1.00 0.00 H new TER 1735 MET A 110