USER MOD reduce.3.24.130724 H: found=0, std=0, add=1644, rem=0, adj=69 USER MOD reduce.3.24.130724 removed 1644 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 64 MET CE :methyl 142:sc= -1.15 (180deg=-1.38) USER MOD Set 1.2: B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 44 ASN : amide:sc= -0.158 K(o=0.0067,f=-3.2!) USER MOD Set 2.2: B 52 LYS NZ :NH3+ -151:sc= 0.165 (180deg=0) USER MOD Set 3.1: B 43 MET CE :methyl -116:sc= -0.159 (180deg=-0.942) USER MOD Set 3.2: B 51 THR OG1 : rot 134:sc= 0.752 USER MOD Set 4.1: B 24 TYR OH : rot -58:sc= 1.21 USER MOD Set 4.2: B 45 THR OG1 : rot -73:sc= 2.11 USER MOD Set 5.1: B 33 THR OG1 : rot 94:sc= 0.201 USER MOD Set 5.2: B 74 GLN : amide:sc= -1.76! C(o=-1.6!,f=-5.1!) USER MOD Set 6.1: A 101 SER OG : rot -76:sc= 1.29 USER MOD Set 6.2: B 30 TYR OH : rot 180:sc= 1.05 USER MOD Set 7.1: B 27 LYS NZ :NH3+ 140:sc= 0.341 (180deg=0) USER MOD Set 7.2: B 41 SER OG : rot 130:sc= 0.243 USER MOD Set 8.1: A 92 HIS : no HD1:sc= 0.349 K(o=0.54,f=-8.7!) USER MOD Set 8.2: B 22 GLN : amide:sc= 0.194 K(o=0.54,f=-3.4) USER MOD Set 9.1: A 33 THR OG1 : rot 94:sc= 0.222 USER MOD Set 9.2: A 74 GLN : amide:sc= -1.71! C(o=-1.5!,f=-5.3!) USER MOD Set10.1: A 64 MET CE :methyl -115:sc= -1.15 (180deg=-1.3) USER MOD Set10.2: A 65 LYS NZ :NH3+ 157:sc= 0 (180deg=0) USER MOD Set11.1: A 43 MET CE :methyl -116:sc= -0.194 (180deg=-0.927) USER MOD Set11.2: A 51 THR OG1 : rot 134:sc= 0.757 USER MOD Set12.1: A 24 TYR OH : rot -60:sc= 1.04 USER MOD Set12.2: A 45 THR OG1 : rot -78:sc= 2.27 USER MOD Set13.1: A 44 ASN : amide:sc= -0.098 K(o=0.053,f=-3.1!) USER MOD Set13.2: A 52 LYS NZ :NH3+ -151:sc= 0.151 (180deg=0) USER MOD Set14.1: A 27 LYS NZ :NH3+ 139:sc= 0.329 (180deg=0) USER MOD Set14.2: A 41 SER OG : rot 130:sc= 0.256 USER MOD Set15.1: A 30 TYR OH : rot 180:sc= 1.07 USER MOD Set15.2: B 101 SER OG : rot -66:sc= 1.24 USER MOD Set16.1: A 22 GLN : amide:sc= 0.0476 K(o=0.073,f=-4!) USER MOD Set16.2: B 92 HIS : no HD1:sc= 0.0255 K(o=0.073,f=-9.5!) USER MOD Set17.1: A 13 CYS SG : rot 91:sc= -5.11! USER MOD Set17.2: B 13 CYS SG : rot 93:sc= -5.03! USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0545 (180deg=-0.389) USER MOD Single : A 1 MET N :NH3+ 163:sc= 1.44 (180deg=0.984) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -166:sc= -1.98! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 96:sc= 1.17 USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.21) USER MOD Single : A 31 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.9!) USER MOD Single : A 32 TYR OH : rot 66:sc= 1.29 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.19) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.467 K(o=0.47,f=-0.28) USER MOD Single : A 54 GLN : amide:sc= -0.271 K(o=-0.27,f=-2!) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc=-0.00305 (180deg=-0.108) USER MOD Single : A 63 MET CE :methyl 162:sc= -0.424 (180deg=-0.964) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc=-0.00676 K(o=-0.0068,f=0.64) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -67:sc= 0.274 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 89 MET CE :methyl 148:sc= -0.929 (180deg=-1.76) USER MOD Single : A 91 CYS SG : rot 72:sc= 0.738 USER MOD Single : A 94 SER OG : rot 58:sc= 1.24 USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= 1.26 (180deg=0.785) USER MOD Single : A 102 GLN : amide:sc=-0.00462 X(o=-0.0046,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0231 USER MOD Single : B 1 MET CE :methyl 164:sc= -0.0366 (180deg=-0.36) USER MOD Single : B 1 MET N :NH3+ 166:sc= 1.3 (180deg=0.987) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot -171:sc= -1.96! USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 88:sc= 1.19 USER MOD Single : B 23 LYS NZ :NH3+ 172:sc= 1.3 (180deg=1.18) USER MOD Single : B 31 ASN : amide:sc= -0.33 K(o=-0.33,f=-2.9!) USER MOD Single : B 32 TYR OH : rot 29:sc= 1.25 USER MOD Single : B 35 SER OG : rot 180:sc= -0.0177 USER MOD Single : B 36 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.16) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 ASN : amide:sc= 0.482 K(o=0.48,f=-0.31) USER MOD Single : B 54 GLN : amide:sc= -0.275 K(o=-0.28,f=-1.9!) USER MOD Single : B 55 LYS NZ :NH3+ -170:sc=-0.00648 (180deg=-0.108) USER MOD Single : B 63 MET CE :methyl 161:sc= -0.473 (180deg=-1.01) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= 0 K(o=0,f=0.57) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 78 SER OG : rot -66:sc= 0.185 USER MOD Single : B 82 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 89 MET CE :methyl 158:sc= -1.05 (180deg=-1.9) USER MOD Single : B 91 CYS SG : rot 73:sc= 0.703 USER MOD Single : B 94 SER OG : rot 70:sc= 1.22 USER MOD Single : B 97 LYS NZ :NH3+ -165:sc= 1.28 (180deg=0.769) USER MOD Single : B 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 105 THR OG1 : rot -141:sc= -0.0297 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.696 17.614 12.071 1.00 7.63 N ATOM 2 CA MET A 1 -19.091 16.526 12.992 1.00 7.05 C ATOM 3 C MET A 1 -17.870 15.947 13.698 1.00 6.84 C ATOM 4 O MET A 1 -17.335 14.920 13.280 1.00 7.12 O ATOM 5 CB MET A 1 -19.834 15.421 12.233 1.00 7.11 C ATOM 6 CG MET A 1 -21.241 15.808 11.792 1.00 7.39 C ATOM 7 SD MET A 1 -21.265 17.146 10.580 1.00 7.66 S ATOM 8 CE MET A 1 -20.517 16.341 9.164 1.00 7.91 C ATOM 0 H1 MET A 1 -19.469 17.798 11.400 1.00 7.63 H new ATOM 0 H2 MET A 1 -18.498 18.477 12.617 1.00 7.63 H new ATOM 0 H3 MET A 1 -17.843 17.333 11.547 1.00 7.63 H new ATOM 0 HA MET A 1 -19.760 16.945 13.743 1.00 7.05 H new ATOM 0 HB2 MET A 1 -19.252 15.144 11.354 1.00 7.11 H new ATOM 0 HB3 MET A 1 -19.894 14.536 12.867 1.00 7.11 H new ATOM 0 HG2 MET A 1 -21.735 14.934 11.368 1.00 7.39 H new ATOM 0 HG3 MET A 1 -21.819 16.108 12.666 1.00 7.39 H new ATOM 0 HE1 MET A 1 -20.730 16.917 8.263 1.00 7.91 H new ATOM 0 HE2 MET A 1 -19.438 16.279 9.308 1.00 7.91 H new ATOM 0 HE3 MET A 1 -20.927 15.337 9.058 1.00 7.91 H new ATOM 20 N ALA A 2 -17.439 16.624 14.765 1.00 6.67 N ATOM 21 CA ALA A 2 -16.301 16.189 15.575 1.00 6.74 C ATOM 22 C ALA A 2 -15.034 16.052 14.735 1.00 6.14 C ATOM 23 O ALA A 2 -14.656 14.951 14.330 1.00 6.28 O ATOM 24 CB ALA A 2 -16.618 14.881 16.289 1.00 7.31 C ATOM 0 H ALA A 2 -17.870 17.489 15.091 1.00 6.67 H new ATOM 0 HA ALA A 2 -16.117 16.958 16.325 1.00 6.74 H new ATOM 0 HB1 ALA A 2 -15.759 14.575 16.886 1.00 7.31 H new ATOM 0 HB2 ALA A 2 -17.481 15.022 16.940 1.00 7.31 H new ATOM 0 HB3 ALA A 2 -16.842 14.109 15.552 1.00 7.31 H new ATOM 30 N LYS A 3 -14.387 17.177 14.468 1.00 5.79 N ATOM 31 CA LYS A 3 -13.154 17.185 13.693 1.00 5.52 C ATOM 32 C LYS A 3 -12.004 16.605 14.510 1.00 5.00 C ATOM 33 O LYS A 3 -11.783 16.996 15.659 1.00 5.14 O ATOM 34 CB LYS A 3 -12.815 18.607 13.233 1.00 6.00 C ATOM 35 CG LYS A 3 -12.743 19.621 14.366 1.00 6.27 C ATOM 36 CD LYS A 3 -12.358 21.003 13.866 1.00 6.96 C ATOM 37 CE LYS A 3 -10.941 21.029 13.313 1.00 7.45 C ATOM 38 NZ LYS A 3 -10.539 22.393 12.883 1.00 7.92 N ATOM 0 H LYS A 3 -14.696 18.099 14.777 1.00 5.79 H new ATOM 0 HA LYS A 3 -13.302 16.562 12.811 1.00 5.52 H new ATOM 0 HB2 LYS A 3 -11.858 18.591 12.711 1.00 6.00 H new ATOM 0 HB3 LYS A 3 -13.565 18.934 12.513 1.00 6.00 H new ATOM 0 HG2 LYS A 3 -13.709 19.673 14.869 1.00 6.27 H new ATOM 0 HG3 LYS A 3 -12.016 19.287 15.106 1.00 6.27 H new ATOM 0 HD2 LYS A 3 -13.057 21.317 13.090 1.00 6.96 H new ATOM 0 HD3 LYS A 3 -12.443 21.721 14.681 1.00 6.96 H new ATOM 0 HE2 LYS A 3 -10.248 20.669 14.073 1.00 7.45 H new ATOM 0 HE3 LYS A 3 -10.869 20.346 12.467 1.00 7.45 H new ATOM 0 HZ1 LYS A 3 -9.568 22.368 12.513 1.00 7.92 H new ATOM 0 HZ2 LYS A 3 -11.185 22.727 12.139 1.00 7.92 H new ATOM 0 HZ3 LYS A 3 -10.583 23.040 13.696 1.00 7.92 H new ATOM 52 N ILE A 4 -11.293 15.652 13.925 1.00 4.74 N ATOM 53 CA ILE A 4 -10.151 15.036 14.582 1.00 4.41 C ATOM 54 C ILE A 4 -9.010 14.856 13.591 1.00 3.66 C ATOM 55 O ILE A 4 -9.208 14.964 12.379 1.00 3.90 O ATOM 56 CB ILE A 4 -10.483 13.655 15.221 1.00 5.14 C ATOM 57 CG1 ILE A 4 -10.838 12.598 14.159 1.00 5.77 C ATOM 58 CG2 ILE A 4 -11.608 13.787 16.241 1.00 5.58 C ATOM 59 CD1 ILE A 4 -12.224 12.739 13.558 1.00 6.53 C ATOM 0 H ILE A 4 -11.489 15.288 12.993 1.00 4.74 H new ATOM 0 HA ILE A 4 -9.862 15.712 15.387 1.00 4.41 H new ATOM 0 HB ILE A 4 -9.584 13.314 15.734 1.00 5.14 H new ATOM 0 HG12 ILE A 4 -10.103 12.649 13.356 1.00 5.77 H new ATOM 0 HG13 ILE A 4 -10.751 11.609 14.608 1.00 5.77 H new ATOM 0 HG21 ILE A 4 -11.823 12.810 16.674 1.00 5.58 H new ATOM 0 HG22 ILE A 4 -11.305 14.475 17.030 1.00 5.58 H new ATOM 0 HG23 ILE A 4 -12.502 14.170 15.749 1.00 5.58 H new ATOM 0 HD11 ILE A 4 -12.383 11.951 12.821 1.00 6.53 H new ATOM 0 HD12 ILE A 4 -12.972 12.655 14.346 1.00 6.53 H new ATOM 0 HD13 ILE A 4 -12.314 13.712 13.074 1.00 6.53 H new ATOM 71 N SER A 5 -7.822 14.594 14.105 1.00 3.24 N ATOM 72 CA SER A 5 -6.668 14.336 13.263 1.00 2.93 C ATOM 73 C SER A 5 -6.147 12.923 13.508 1.00 2.01 C ATOM 74 O SER A 5 -4.979 12.722 13.845 1.00 2.25 O ATOM 75 CB SER A 5 -5.578 15.381 13.524 1.00 3.70 C ATOM 76 OG SER A 5 -5.355 15.558 14.914 1.00 4.46 O ATOM 0 H SER A 5 -7.631 14.554 15.106 1.00 3.24 H new ATOM 0 HA SER A 5 -6.964 14.412 12.217 1.00 2.93 H new ATOM 0 HB2 SER A 5 -4.651 15.071 13.042 1.00 3.70 H new ATOM 0 HB3 SER A 5 -5.868 16.332 13.076 1.00 3.70 H new ATOM 0 HG SER A 5 -4.654 16.229 15.050 1.00 4.46 H new ATOM 82 N SER A 6 -7.031 11.951 13.351 1.00 1.51 N ATOM 83 CA SER A 6 -6.687 10.558 13.571 1.00 1.03 C ATOM 84 C SER A 6 -6.828 9.779 12.270 1.00 0.82 C ATOM 85 O SER A 6 -7.871 9.830 11.619 1.00 0.85 O ATOM 86 CB SER A 6 -7.592 9.956 14.653 1.00 1.67 C ATOM 87 OG SER A 6 -7.205 8.629 14.980 1.00 2.25 O ATOM 0 H SER A 6 -7.999 12.105 13.070 1.00 1.51 H new ATOM 0 HA SER A 6 -5.653 10.495 13.909 1.00 1.03 H new ATOM 0 HB2 SER A 6 -7.553 10.578 15.548 1.00 1.67 H new ATOM 0 HB3 SER A 6 -8.626 9.959 14.307 1.00 1.67 H new ATOM 0 HG SER A 6 -7.801 8.276 15.673 1.00 2.25 H new ATOM 93 N PRO A 7 -5.778 9.061 11.866 1.00 0.69 N ATOM 94 CA PRO A 7 -5.798 8.257 10.650 1.00 0.54 C ATOM 95 C PRO A 7 -6.483 6.920 10.875 1.00 0.44 C ATOM 96 O PRO A 7 -6.561 6.428 12.003 1.00 0.56 O ATOM 97 CB PRO A 7 -4.315 8.044 10.377 1.00 0.61 C ATOM 98 CG PRO A 7 -3.738 7.935 11.737 1.00 0.75 C ATOM 99 CD PRO A 7 -4.479 8.956 12.562 1.00 0.82 C ATOM 0 HA PRO A 7 -6.343 8.733 9.835 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.138 7.143 9.790 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -3.883 8.876 9.821 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -3.869 6.931 12.141 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -2.667 8.138 11.728 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -4.599 8.631 13.595 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -3.956 9.912 12.588 1.00 0.82 H new ATOM 107 N THR A 8 -6.985 6.338 9.809 1.00 0.34 N ATOM 108 CA THR A 8 -7.557 5.015 9.884 1.00 0.27 C ATOM 109 C THR A 8 -6.466 3.988 9.687 1.00 0.28 C ATOM 110 O THR A 8 -5.291 4.344 9.579 1.00 0.35 O ATOM 111 CB THR A 8 -8.621 4.811 8.814 1.00 0.28 C ATOM 112 OG1 THR A 8 -7.992 4.699 7.538 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.595 5.970 8.825 1.00 0.32 C ATOM 0 H THR A 8 -7.008 6.761 8.881 1.00 0.34 H new ATOM 0 HA THR A 8 -8.021 4.901 10.864 1.00 0.27 H new ATOM 0 HB THR A 8 -9.175 3.895 9.020 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.665 4.797 6.832 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.353 5.816 8.057 1.00 0.32 H new ATOM 0 HG22 THR A 8 -10.076 6.032 9.801 1.00 0.32 H new ATOM 0 HG23 THR A 8 -9.059 6.898 8.625 1.00 0.32 H new ATOM 121 N GLU A 9 -6.849 2.727 9.608 1.00 0.28 N ATOM 122 CA GLU A 9 -5.885 1.664 9.411 1.00 0.33 C ATOM 123 C GLU A 9 -5.086 1.894 8.131 1.00 0.36 C ATOM 124 O GLU A 9 -3.865 1.891 8.154 1.00 0.52 O ATOM 125 CB GLU A 9 -6.568 0.302 9.359 1.00 0.40 C ATOM 126 CG GLU A 9 -5.572 -0.838 9.323 1.00 0.56 C ATOM 127 CD GLU A 9 -4.768 -0.940 10.604 1.00 1.73 C ATOM 128 OE1 GLU A 9 -5.263 -1.548 11.573 1.00 2.48 O ATOM 129 OE2 GLU A 9 -3.637 -0.414 10.650 1.00 2.47 O ATOM 0 H GLU A 9 -7.818 2.416 9.677 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.204 1.674 10.262 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.215 0.189 10.229 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.207 0.252 8.477 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -6.102 -1.775 9.154 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -4.894 -0.699 8.481 1.00 0.56 H new ATOM 136 N THR A 10 -5.776 2.147 7.030 1.00 0.26 N ATOM 137 CA THR A 10 -5.119 2.329 5.747 1.00 0.27 C ATOM 138 C THR A 10 -4.357 3.639 5.711 1.00 0.27 C ATOM 139 O THR A 10 -3.288 3.711 5.124 1.00 0.31 O ATOM 140 CB THR A 10 -6.119 2.260 4.563 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.557 2.858 3.388 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.436 2.938 4.916 1.00 0.25 C ATOM 0 H THR A 10 -6.792 2.231 7.000 1.00 0.26 H new ATOM 0 HA THR A 10 -4.414 1.505 5.633 1.00 0.27 H new ATOM 0 HB THR A 10 -6.318 1.208 4.360 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.202 2.803 2.652 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.117 2.874 4.067 1.00 0.25 H new ATOM 0 HG22 THR A 10 -7.882 2.441 5.777 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.253 3.985 5.156 1.00 0.25 H new ATOM 150 N GLU A 11 -4.882 4.658 6.371 1.00 0.25 N ATOM 151 CA GLU A 11 -4.246 5.965 6.358 1.00 0.27 C ATOM 152 C GLU A 11 -2.945 5.941 7.135 1.00 0.30 C ATOM 153 O GLU A 11 -1.915 6.402 6.651 1.00 0.32 O ATOM 154 CB GLU A 11 -5.178 7.015 6.925 1.00 0.29 C ATOM 155 CG GLU A 11 -6.536 6.986 6.267 1.00 0.41 C ATOM 156 CD GLU A 11 -7.422 8.141 6.680 1.00 1.11 C ATOM 157 OE1 GLU A 11 -7.514 8.417 7.895 1.00 1.85 O ATOM 158 OE2 GLU A 11 -8.037 8.767 5.794 1.00 1.71 O ATOM 0 H GLU A 11 -5.741 4.607 6.919 1.00 0.25 H new ATOM 0 HA GLU A 11 -4.021 6.221 5.323 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.292 6.856 7.997 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.734 8.002 6.794 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.409 7.003 5.185 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -7.033 6.048 6.515 1.00 0.41 H new ATOM 165 N ARG A 12 -2.991 5.374 8.332 1.00 0.35 N ATOM 166 CA ARG A 12 -1.793 5.245 9.149 1.00 0.42 C ATOM 167 C ARG A 12 -0.802 4.342 8.439 1.00 0.43 C ATOM 168 O ARG A 12 0.404 4.562 8.480 1.00 0.47 O ATOM 169 CB ARG A 12 -2.121 4.693 10.553 1.00 0.48 C ATOM 170 CG ARG A 12 -2.687 3.276 10.583 1.00 0.49 C ATOM 171 CD ARG A 12 -1.586 2.230 10.500 1.00 0.56 C ATOM 172 NE ARG A 12 -0.770 2.213 11.714 1.00 1.08 N ATOM 173 CZ ARG A 12 0.479 1.757 11.783 1.00 1.35 C ATOM 174 NH1 ARG A 12 1.078 1.267 10.707 1.00 1.86 N ATOM 175 NH2 ARG A 12 1.129 1.791 12.940 1.00 1.95 N ATOM 0 H ARG A 12 -3.839 4.998 8.757 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.356 6.234 9.286 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.213 4.716 11.155 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.837 5.362 11.030 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.258 3.131 11.500 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.379 3.143 9.752 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -2.028 1.246 10.344 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -0.952 2.435 9.637 1.00 0.56 H new ATOM 0 HE ARG A 12 -1.188 2.577 12.570 1.00 1.08 H new ATOM 0 HH11 ARG A 12 0.582 1.237 9.816 1.00 1.86 H new ATOM 0 HH12 ARG A 12 2.035 0.920 10.770 1.00 1.86 H new ATOM 0 HH21 ARG A 12 0.671 2.165 13.771 1.00 1.95 H new ATOM 0 HH22 ARG A 12 2.086 1.443 12.998 1.00 1.95 H new ATOM 189 N CYS A 13 -1.340 3.340 7.762 1.00 0.42 N ATOM 190 CA CYS A 13 -0.538 2.365 7.054 1.00 0.44 C ATOM 191 C CYS A 13 0.139 3.023 5.867 1.00 0.30 C ATOM 192 O CYS A 13 1.293 2.740 5.553 1.00 0.29 O ATOM 193 CB CYS A 13 -1.431 1.200 6.626 1.00 0.57 C ATOM 194 SG CYS A 13 -1.766 0.016 7.947 1.00 2.16 S ATOM 0 H CYS A 13 -2.345 3.183 7.690 1.00 0.42 H new ATOM 0 HA CYS A 13 0.245 1.974 7.703 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -2.377 1.596 6.257 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -0.958 0.678 5.794 1.00 0.57 H new ATOM 0 HG CYS A 13 -2.854 0.358 8.570 1.00 2.16 H new ATOM 200 N ILE A 14 -0.585 3.935 5.251 1.00 0.26 N ATOM 201 CA ILE A 14 -0.065 4.749 4.176 1.00 0.24 C ATOM 202 C ILE A 14 1.115 5.599 4.652 1.00 0.21 C ATOM 203 O ILE A 14 2.145 5.691 3.980 1.00 0.23 O ATOM 204 CB ILE A 14 -1.182 5.659 3.626 1.00 0.24 C ATOM 205 CG1 ILE A 14 -2.094 4.885 2.673 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.607 6.884 2.944 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.361 5.633 2.343 1.00 0.27 C ATOM 0 H ILE A 14 -1.558 4.132 5.485 1.00 0.26 H new ATOM 0 HA ILE A 14 0.290 4.089 3.384 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.781 5.998 4.471 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.552 4.672 1.751 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.350 3.925 3.121 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.419 7.505 2.567 1.00 0.27 H new ATOM 0 HG22 ILE A 14 -0.015 7.455 3.660 1.00 0.27 H new ATOM 0 HG23 ILE A 14 0.028 6.574 2.114 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -3.969 5.036 1.663 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -3.920 5.823 3.259 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.110 6.581 1.868 1.00 0.27 H new ATOM 219 N GLU A 15 0.970 6.186 5.832 1.00 0.24 N ATOM 220 CA GLU A 15 1.985 7.071 6.378 1.00 0.28 C ATOM 221 C GLU A 15 3.150 6.265 6.868 1.00 0.30 C ATOM 222 O GLU A 15 4.271 6.753 6.978 1.00 0.34 O ATOM 223 CB GLU A 15 1.425 7.864 7.537 1.00 0.32 C ATOM 224 CG GLU A 15 0.195 8.672 7.171 1.00 0.33 C ATOM 225 CD GLU A 15 -0.322 9.494 8.327 1.00 0.38 C ATOM 226 OE1 GLU A 15 0.133 10.645 8.485 1.00 1.26 O ATOM 227 OE2 GLU A 15 -1.187 9.004 9.081 1.00 1.06 O ATOM 0 H GLU A 15 0.154 6.063 6.431 1.00 0.24 H new ATOM 0 HA GLU A 15 2.305 7.754 5.591 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.174 7.181 8.349 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.195 8.537 7.914 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.433 9.333 6.337 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.590 7.998 6.829 1.00 0.33 H new ATOM 234 N SER A 16 2.871 5.025 7.178 1.00 0.31 N ATOM 235 CA SER A 16 3.888 4.137 7.640 1.00 0.38 C ATOM 236 C SER A 16 4.748 3.686 6.472 1.00 0.29 C ATOM 237 O SER A 16 5.942 3.464 6.626 1.00 0.28 O ATOM 238 CB SER A 16 3.259 2.965 8.372 1.00 0.54 C ATOM 239 OG SER A 16 2.507 3.425 9.480 1.00 0.97 O ATOM 0 H SER A 16 1.940 4.612 7.116 1.00 0.31 H new ATOM 0 HA SER A 16 4.537 4.654 8.347 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.615 2.407 7.693 1.00 0.54 H new ATOM 0 HB3 SER A 16 4.036 2.279 8.710 1.00 0.54 H new ATOM 0 HG SER A 16 1.565 3.512 9.223 1.00 0.97 H new ATOM 245 N LEU A 17 4.140 3.586 5.295 1.00 0.27 N ATOM 246 CA LEU A 17 4.901 3.365 4.074 1.00 0.28 C ATOM 247 C LEU A 17 5.762 4.584 3.816 1.00 0.27 C ATOM 248 O LEU A 17 6.909 4.470 3.402 1.00 0.32 O ATOM 249 CB LEU A 17 3.973 3.124 2.887 1.00 0.29 C ATOM 250 CG LEU A 17 2.916 2.051 3.121 1.00 0.33 C ATOM 251 CD1 LEU A 17 1.923 1.998 1.974 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.568 0.691 3.327 1.00 0.46 C ATOM 0 H LEU A 17 3.131 3.654 5.162 1.00 0.27 H new ATOM 0 HA LEU A 17 5.525 2.479 4.195 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.474 4.060 2.636 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.574 2.842 2.023 1.00 0.29 H new ATOM 0 HG LEU A 17 2.369 2.314 4.026 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.182 1.223 2.170 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.424 2.962 1.880 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.450 1.770 1.047 1.00 0.33 H new ATOM 0 HD21 LEU A 17 2.797 -0.061 3.492 1.00 0.46 H new ATOM 0 HD22 LEU A 17 4.148 0.428 2.442 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.227 0.731 4.194 1.00 0.46 H new ATOM 264 N ILE A 18 5.188 5.757 4.081 1.00 0.27 N ATOM 265 CA ILE A 18 5.933 7.005 4.049 1.00 0.30 C ATOM 266 C ILE A 18 7.142 6.919 4.975 1.00 0.28 C ATOM 267 O ILE A 18 8.253 7.261 4.587 1.00 0.30 O ATOM 268 CB ILE A 18 5.046 8.212 4.457 1.00 0.36 C ATOM 269 CG1 ILE A 18 4.014 8.510 3.365 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.900 9.441 4.750 1.00 0.47 C ATOM 271 CD1 ILE A 18 3.083 9.657 3.700 1.00 1.37 C ATOM 0 H ILE A 18 4.202 5.864 4.321 1.00 0.27 H new ATOM 0 HA ILE A 18 6.268 7.163 3.024 1.00 0.30 H new ATOM 0 HB ILE A 18 4.512 7.952 5.371 1.00 0.36 H new ATOM 0 HG12 ILE A 18 4.537 8.738 2.436 1.00 0.63 H new ATOM 0 HG13 ILE A 18 3.421 7.614 3.185 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.255 10.273 5.034 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.587 9.220 5.566 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.469 9.710 3.860 1.00 0.47 H new ATOM 0 HD11 ILE A 18 2.381 9.808 2.880 1.00 1.37 H new ATOM 0 HD12 ILE A 18 2.532 9.424 4.611 1.00 1.37 H new ATOM 0 HD13 ILE A 18 3.665 10.566 3.851 1.00 1.37 H new ATOM 283 N ALA A 19 6.912 6.430 6.187 1.00 0.25 N ATOM 284 CA ALA A 19 7.965 6.299 7.184 1.00 0.25 C ATOM 285 C ALA A 19 9.057 5.333 6.731 1.00 0.23 C ATOM 286 O ALA A 19 10.231 5.697 6.681 1.00 0.28 O ATOM 287 CB ALA A 19 7.372 5.841 8.510 1.00 0.28 C ATOM 0 H ALA A 19 5.995 6.115 6.505 1.00 0.25 H new ATOM 0 HA ALA A 19 8.426 7.278 7.313 1.00 0.25 H new ATOM 0 HB1 ALA A 19 8.166 5.746 9.250 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.641 6.573 8.854 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.883 4.876 8.376 1.00 0.28 H new ATOM 293 N VAL A 20 8.666 4.106 6.389 1.00 0.20 N ATOM 294 CA VAL A 20 9.629 3.075 6.010 1.00 0.22 C ATOM 295 C VAL A 20 10.369 3.478 4.743 1.00 0.23 C ATOM 296 O VAL A 20 11.580 3.265 4.617 1.00 0.27 O ATOM 297 CB VAL A 20 8.951 1.695 5.822 1.00 0.27 C ATOM 298 CG1 VAL A 20 8.004 1.433 6.956 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.210 1.587 4.501 1.00 0.87 C ATOM 0 H VAL A 20 7.692 3.803 6.367 1.00 0.20 H new ATOM 0 HA VAL A 20 10.346 2.981 6.826 1.00 0.22 H new ATOM 0 HB VAL A 20 9.742 0.946 5.814 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.531 0.461 6.818 1.00 0.87 H new ATOM 0 HG12 VAL A 20 8.553 1.438 7.897 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.239 2.209 6.978 1.00 0.87 H new ATOM 0 HG21 VAL A 20 7.753 0.601 4.420 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.434 2.351 4.456 1.00 0.87 H new ATOM 0 HG23 VAL A 20 8.910 1.732 3.678 1.00 0.87 H new ATOM 309 N PHE A 21 9.640 4.078 3.815 1.00 0.23 N ATOM 310 CA PHE A 21 10.253 4.584 2.595 1.00 0.25 C ATOM 311 C PHE A 21 11.257 5.683 2.916 1.00 0.29 C ATOM 312 O PHE A 21 12.403 5.629 2.487 1.00 0.35 O ATOM 313 CB PHE A 21 9.193 5.123 1.630 1.00 0.26 C ATOM 314 CG PHE A 21 9.763 5.682 0.352 1.00 0.91 C ATOM 315 CD1 PHE A 21 10.058 4.849 -0.712 1.00 1.85 C ATOM 316 CD2 PHE A 21 10.005 7.041 0.220 1.00 1.59 C ATOM 317 CE1 PHE A 21 10.585 5.358 -1.885 1.00 2.48 C ATOM 318 CE2 PHE A 21 10.533 7.556 -0.950 1.00 2.17 C ATOM 319 CZ PHE A 21 10.823 6.713 -2.003 1.00 2.40 C ATOM 0 H PHE A 21 8.633 4.226 3.881 1.00 0.23 H new ATOM 0 HA PHE A 21 10.772 3.754 2.116 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.496 4.321 1.386 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.620 5.902 2.133 1.00 0.26 H new ATOM 0 HD1 PHE A 21 9.875 3.788 -0.626 1.00 1.85 H new ATOM 0 HD2 PHE A 21 9.778 7.705 1.041 1.00 1.59 H new ATOM 0 HE1 PHE A 21 10.810 4.696 -2.708 1.00 2.48 H new ATOM 0 HE2 PHE A 21 10.718 8.616 -1.039 1.00 2.17 H new ATOM 0 HZ PHE A 21 11.235 7.112 -2.918 1.00 2.40 H new ATOM 329 N GLN A 22 10.826 6.656 3.703 1.00 0.30 N ATOM 330 CA GLN A 22 11.610 7.855 3.957 1.00 0.37 C ATOM 331 C GLN A 22 12.859 7.549 4.769 1.00 0.36 C ATOM 332 O GLN A 22 13.863 8.248 4.651 1.00 0.44 O ATOM 333 CB GLN A 22 10.746 8.881 4.692 1.00 0.47 C ATOM 334 CG GLN A 22 11.147 10.323 4.446 1.00 1.12 C ATOM 335 CD GLN A 22 10.918 10.758 3.011 1.00 1.98 C ATOM 336 OE1 GLN A 22 10.038 10.241 2.322 1.00 2.68 O ATOM 337 NE2 GLN A 22 11.692 11.728 2.554 1.00 2.66 N ATOM 0 H GLN A 22 9.926 6.638 4.182 1.00 0.30 H new ATOM 0 HA GLN A 22 11.933 8.260 2.998 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.707 8.748 4.389 1.00 0.47 H new ATOM 0 HB3 GLN A 22 10.794 8.680 5.762 1.00 0.47 H new ATOM 0 HG2 GLN A 22 10.580 10.972 5.113 1.00 1.12 H new ATOM 0 HG3 GLN A 22 12.200 10.451 4.696 1.00 1.12 H new ATOM 0 HE21 GLN A 22 12.411 12.132 3.154 1.00 2.66 H new ATOM 0 HE22 GLN A 22 11.570 12.072 1.601 1.00 2.66 H new ATOM 346 N LYS A 23 12.810 6.508 5.587 1.00 0.35 N ATOM 347 CA LYS A 23 13.956 6.169 6.408 1.00 0.39 C ATOM 348 C LYS A 23 15.030 5.449 5.591 1.00 0.40 C ATOM 349 O LYS A 23 16.223 5.679 5.790 1.00 0.49 O ATOM 350 CB LYS A 23 13.534 5.334 7.621 1.00 0.41 C ATOM 351 CG LYS A 23 12.924 4.004 7.275 1.00 0.42 C ATOM 352 CD LYS A 23 12.230 3.411 8.479 1.00 0.63 C ATOM 353 CE LYS A 23 12.219 1.907 8.390 1.00 0.63 C ATOM 354 NZ LYS A 23 11.475 1.267 9.507 1.00 0.91 N ATOM 0 H LYS A 23 12.003 5.895 5.697 1.00 0.35 H new ATOM 0 HA LYS A 23 14.389 7.100 6.775 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.406 5.167 8.253 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.818 5.907 8.210 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.211 4.125 6.460 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.698 3.323 6.922 1.00 0.42 H new ATOM 0 HD2 LYS A 23 12.739 3.724 9.391 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.208 3.786 8.539 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.771 1.607 7.443 1.00 0.63 H new ATOM 0 HE3 LYS A 23 13.246 1.541 8.387 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 11.369 0.250 9.316 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 12.000 1.400 10.395 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 10.535 1.703 9.593 1.00 0.91 H new ATOM 368 N TYR A 24 14.621 4.594 4.658 1.00 0.36 N ATOM 369 CA TYR A 24 15.587 3.870 3.841 1.00 0.39 C ATOM 370 C TYR A 24 16.020 4.680 2.639 1.00 0.34 C ATOM 371 O TYR A 24 17.209 4.784 2.350 1.00 0.40 O ATOM 372 CB TYR A 24 15.044 2.518 3.405 1.00 0.46 C ATOM 373 CG TYR A 24 15.217 1.476 4.481 1.00 0.86 C ATOM 374 CD1 TYR A 24 16.416 0.786 4.603 1.00 1.67 C ATOM 375 CD2 TYR A 24 14.209 1.204 5.392 1.00 1.52 C ATOM 376 CE1 TYR A 24 16.603 -0.146 5.603 1.00 1.99 C ATOM 377 CE2 TYR A 24 14.388 0.268 6.391 1.00 1.83 C ATOM 378 CZ TYR A 24 15.587 -0.400 6.495 1.00 1.72 C ATOM 379 OH TYR A 24 15.771 -1.328 7.494 1.00 2.15 O ATOM 0 H TYR A 24 13.644 4.388 4.451 1.00 0.36 H new ATOM 0 HA TYR A 24 16.465 3.699 4.464 1.00 0.39 H new ATOM 0 HB2 TYR A 24 13.987 2.613 3.157 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.557 2.195 2.499 1.00 0.46 H new ATOM 0 HD1 TYR A 24 17.215 0.982 3.904 1.00 1.67 H new ATOM 0 HD2 TYR A 24 13.270 1.732 5.320 1.00 1.52 H new ATOM 0 HE1 TYR A 24 17.542 -0.673 5.685 1.00 1.99 H new ATOM 0 HE2 TYR A 24 13.590 0.061 7.089 1.00 1.83 H new ATOM 0 HH TYR A 24 15.958 -2.204 7.096 1.00 2.15 H new ATOM 389 N ALA A 25 15.061 5.270 1.951 1.00 0.29 N ATOM 390 CA ALA A 25 15.362 6.152 0.840 1.00 0.34 C ATOM 391 C ALA A 25 16.108 7.374 1.355 1.00 0.47 C ATOM 392 O ALA A 25 16.826 8.051 0.618 1.00 0.58 O ATOM 393 CB ALA A 25 14.076 6.555 0.134 1.00 0.37 C ATOM 0 H ALA A 25 14.066 5.154 2.142 1.00 0.29 H new ATOM 0 HA ALA A 25 15.995 5.635 0.119 1.00 0.34 H new ATOM 0 HB1 ALA A 25 14.311 7.217 -0.699 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.572 5.664 -0.241 1.00 0.37 H new ATOM 0 HB3 ALA A 25 13.422 7.073 0.836 1.00 0.37 H new ATOM 399 N GLY A 26 15.941 7.629 2.648 1.00 0.49 N ATOM 400 CA GLY A 26 16.609 8.733 3.297 1.00 0.64 C ATOM 401 C GLY A 26 18.102 8.522 3.427 1.00 0.75 C ATOM 402 O GLY A 26 18.850 9.483 3.600 1.00 0.96 O ATOM 0 H GLY A 26 15.343 7.078 3.264 1.00 0.49 H new ATOM 0 HA2 GLY A 26 16.424 9.646 2.732 1.00 0.64 H new ATOM 0 HA3 GLY A 26 16.180 8.879 4.288 1.00 0.64 H new ATOM 406 N LYS A 27 18.544 7.270 3.323 1.00 0.69 N ATOM 407 CA LYS A 27 19.969 6.961 3.393 1.00 0.82 C ATOM 408 C LYS A 27 20.710 7.604 2.228 1.00 0.95 C ATOM 409 O LYS A 27 21.890 7.926 2.333 1.00 1.11 O ATOM 410 CB LYS A 27 20.220 5.454 3.353 1.00 0.77 C ATOM 411 CG LYS A 27 19.621 4.669 4.506 1.00 0.81 C ATOM 412 CD LYS A 27 20.049 3.213 4.434 1.00 0.85 C ATOM 413 CE LYS A 27 19.456 2.384 5.555 1.00 1.11 C ATOM 414 NZ LYS A 27 20.038 1.014 5.596 1.00 1.72 N ATOM 0 H LYS A 27 17.940 6.459 3.191 1.00 0.69 H new ATOM 0 HA LYS A 27 20.336 7.358 4.339 1.00 0.82 H new ATOM 0 HB2 LYS A 27 19.820 5.060 2.419 1.00 0.77 H new ATOM 0 HB3 LYS A 27 21.296 5.281 3.337 1.00 0.77 H new ATOM 0 HG2 LYS A 27 19.940 5.102 5.454 1.00 0.81 H new ATOM 0 HG3 LYS A 27 18.534 4.737 4.475 1.00 0.81 H new ATOM 0 HD2 LYS A 27 19.745 2.794 3.475 1.00 0.85 H new ATOM 0 HD3 LYS A 27 21.137 3.154 4.477 1.00 0.85 H new ATOM 0 HE2 LYS A 27 19.632 2.883 6.508 1.00 1.11 H new ATOM 0 HE3 LYS A 27 18.376 2.317 5.425 1.00 1.11 H new ATOM 0 HZ1 LYS A 27 20.207 0.738 6.584 1.00 1.72 H new ATOM 0 HZ2 LYS A 27 19.376 0.342 5.158 1.00 1.72 H new ATOM 0 HZ3 LYS A 27 20.938 1.003 5.075 1.00 1.72 H new ATOM 428 N ASP A 28 20.006 7.785 1.119 1.00 1.00 N ATOM 429 CA ASP A 28 20.611 8.349 -0.078 1.00 1.19 C ATOM 430 C ASP A 28 20.269 9.832 -0.204 1.00 1.26 C ATOM 431 O ASP A 28 20.566 10.475 -1.211 1.00 1.58 O ATOM 432 CB ASP A 28 20.149 7.580 -1.318 1.00 1.33 C ATOM 433 CG ASP A 28 21.037 7.842 -2.514 1.00 1.65 C ATOM 434 OD1 ASP A 28 22.240 7.511 -2.443 1.00 2.16 O ATOM 435 OD2 ASP A 28 20.549 8.393 -3.520 1.00 2.08 O ATOM 0 H ASP A 28 19.018 7.550 1.024 1.00 1.00 H new ATOM 0 HA ASP A 28 21.694 8.256 0.003 1.00 1.19 H new ATOM 0 HB2 ASP A 28 20.141 6.512 -1.100 1.00 1.33 H new ATOM 0 HB3 ASP A 28 19.124 7.863 -1.559 1.00 1.33 H new ATOM 440 N GLY A 29 19.651 10.374 0.837 1.00 1.15 N ATOM 441 CA GLY A 29 19.324 11.785 0.853 1.00 1.32 C ATOM 442 C GLY A 29 17.849 12.052 0.626 1.00 1.51 C ATOM 443 O GLY A 29 17.439 13.208 0.562 1.00 1.64 O ATOM 0 H GLY A 29 19.370 9.860 1.672 1.00 1.15 H new ATOM 0 HA2 GLY A 29 19.622 12.211 1.811 1.00 1.32 H new ATOM 0 HA3 GLY A 29 19.903 12.296 0.084 1.00 1.32 H new ATOM 447 N TYR A 30 17.062 10.971 0.513 1.00 2.07 N ATOM 448 CA TYR A 30 15.605 11.035 0.284 1.00 2.80 C ATOM 449 C TYR A 30 15.224 12.048 -0.799 1.00 2.61 C ATOM 450 O TYR A 30 16.050 12.428 -1.630 1.00 3.02 O ATOM 451 CB TYR A 30 14.816 11.306 1.592 1.00 3.68 C ATOM 452 CG TYR A 30 15.239 12.530 2.386 1.00 4.52 C ATOM 453 CD1 TYR A 30 14.748 13.794 2.073 1.00 5.12 C ATOM 454 CD2 TYR A 30 16.124 12.419 3.452 1.00 5.11 C ATOM 455 CE1 TYR A 30 15.132 14.909 2.797 1.00 6.09 C ATOM 456 CE2 TYR A 30 16.511 13.527 4.179 1.00 6.04 C ATOM 457 CZ TYR A 30 16.013 14.770 3.847 1.00 6.45 C ATOM 458 OH TYR A 30 16.405 15.875 4.568 1.00 7.51 O ATOM 0 H TYR A 30 17.420 10.018 0.578 1.00 2.07 H new ATOM 0 HA TYR A 30 15.319 10.047 -0.078 1.00 2.80 H new ATOM 0 HB2 TYR A 30 13.760 11.408 1.341 1.00 3.68 H new ATOM 0 HB3 TYR A 30 14.908 10.431 2.236 1.00 3.68 H new ATOM 0 HD1 TYR A 30 14.056 13.907 1.252 1.00 5.12 H new ATOM 0 HD2 TYR A 30 16.516 11.448 3.716 1.00 5.11 H new ATOM 0 HE1 TYR A 30 14.743 15.883 2.540 1.00 6.09 H new ATOM 0 HE2 TYR A 30 17.200 13.421 5.004 1.00 6.04 H new ATOM 0 HH TYR A 30 17.028 15.601 5.274 1.00 7.51 H new ATOM 468 N ASN A 31 13.943 12.419 -0.814 1.00 2.62 N ATOM 469 CA ASN A 31 13.414 13.447 -1.712 1.00 2.78 C ATOM 470 C ASN A 31 13.182 12.899 -3.123 1.00 1.96 C ATOM 471 O ASN A 31 12.753 13.631 -4.014 1.00 2.53 O ATOM 472 CB ASN A 31 14.332 14.683 -1.749 1.00 3.85 C ATOM 473 CG ASN A 31 13.685 15.885 -2.412 1.00 4.61 C ATOM 474 OD1 ASN A 31 12.468 16.058 -2.363 1.00 4.92 O ATOM 475 ND2 ASN A 31 14.494 16.725 -3.036 1.00 5.33 N ATOM 0 H ASN A 31 13.238 12.012 -0.199 1.00 2.62 H new ATOM 0 HA ASN A 31 12.447 13.756 -1.314 1.00 2.78 H new ATOM 0 HB2 ASN A 31 14.617 14.947 -0.731 1.00 3.85 H new ATOM 0 HB3 ASN A 31 15.249 14.431 -2.282 1.00 3.85 H new ATOM 0 HD21 ASN A 31 14.114 17.551 -3.499 1.00 5.33 H new ATOM 0 HD22 ASN A 31 15.498 16.547 -3.055 1.00 5.33 H new ATOM 482 N TYR A 32 13.433 11.606 -3.332 1.00 1.18 N ATOM 483 CA TYR A 32 13.169 11.010 -4.639 1.00 1.18 C ATOM 484 C TYR A 32 13.014 9.482 -4.614 1.00 0.92 C ATOM 485 O TYR A 32 11.925 8.975 -4.881 1.00 1.05 O ATOM 486 CB TYR A 32 14.210 11.454 -5.696 1.00 1.78 C ATOM 487 CG TYR A 32 15.684 11.190 -5.395 1.00 2.38 C ATOM 488 CD1 TYR A 32 16.146 10.859 -4.125 1.00 2.99 C ATOM 489 CD2 TYR A 32 16.621 11.289 -6.417 1.00 3.08 C ATOM 490 CE1 TYR A 32 17.490 10.635 -3.886 1.00 3.86 C ATOM 491 CE2 TYR A 32 17.964 11.070 -6.184 1.00 3.93 C ATOM 492 CZ TYR A 32 18.393 10.742 -4.920 1.00 4.19 C ATOM 493 OH TYR A 32 19.733 10.532 -4.688 1.00 5.19 O ATOM 0 H TYR A 32 13.809 10.966 -2.632 1.00 1.18 H new ATOM 0 HA TYR A 32 12.195 11.399 -4.935 1.00 1.18 H new ATOM 0 HB2 TYR A 32 13.966 10.959 -6.636 1.00 1.78 H new ATOM 0 HB3 TYR A 32 14.087 12.525 -5.858 1.00 1.78 H new ATOM 0 HD1 TYR A 32 15.442 10.775 -3.310 1.00 2.99 H new ATOM 0 HD2 TYR A 32 16.292 11.542 -7.414 1.00 3.08 H new ATOM 0 HE1 TYR A 32 17.829 10.378 -2.894 1.00 3.86 H new ATOM 0 HE2 TYR A 32 18.675 11.156 -6.992 1.00 3.93 H new ATOM 0 HH TYR A 32 19.880 9.594 -4.446 1.00 5.19 H new ATOM 503 N THR A 33 14.066 8.745 -4.283 1.00 0.67 N ATOM 504 CA THR A 33 14.071 7.309 -4.533 1.00 0.46 C ATOM 505 C THR A 33 14.782 6.492 -3.466 1.00 0.38 C ATOM 506 O THR A 33 15.659 6.977 -2.747 1.00 0.44 O ATOM 507 CB THR A 33 14.739 7.024 -5.883 1.00 0.45 C ATOM 508 OG1 THR A 33 15.510 8.153 -6.314 1.00 0.66 O ATOM 509 CG2 THR A 33 13.725 6.649 -6.940 1.00 0.43 C ATOM 0 H THR A 33 14.914 9.109 -3.848 1.00 0.67 H new ATOM 0 HA THR A 33 13.024 7.004 -4.524 1.00 0.46 H new ATOM 0 HB THR A 33 15.406 6.173 -5.743 1.00 0.45 H new ATOM 0 HG1 THR A 33 16.440 8.043 -6.026 1.00 0.66 H new ATOM 0 HG21 THR A 33 14.237 6.455 -7.882 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.188 5.754 -6.627 1.00 0.43 H new ATOM 0 HG23 THR A 33 13.018 7.468 -7.073 1.00 0.43 H new ATOM 517 N LEU A 34 14.353 5.243 -3.381 1.00 0.32 N ATOM 518 CA LEU A 34 14.992 4.216 -2.583 1.00 0.30 C ATOM 519 C LEU A 34 16.045 3.544 -3.438 1.00 0.31 C ATOM 520 O LEU A 34 15.726 2.773 -4.346 1.00 0.34 O ATOM 521 CB LEU A 34 13.916 3.224 -2.130 1.00 0.30 C ATOM 522 CG LEU A 34 13.899 2.893 -0.641 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.565 2.285 -0.241 1.00 0.45 C ATOM 524 CD2 LEU A 34 15.020 1.939 -0.300 1.00 0.28 C ATOM 0 H LEU A 34 13.528 4.909 -3.880 1.00 0.32 H new ATOM 0 HA LEU A 34 15.475 4.629 -1.698 1.00 0.30 H new ATOM 0 HB2 LEU A 34 12.941 3.626 -2.404 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.047 2.296 -2.687 1.00 0.30 H new ATOM 0 HG LEU A 34 14.041 3.820 -0.086 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.574 2.056 0.825 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.764 2.993 -0.453 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.398 1.369 -0.807 1.00 0.45 H new ATOM 0 HD21 LEU A 34 14.994 1.713 0.766 1.00 0.28 H new ATOM 0 HD22 LEU A 34 14.899 1.017 -0.869 1.00 0.28 H new ATOM 0 HD23 LEU A 34 15.977 2.397 -0.550 1.00 0.28 H new ATOM 536 N SER A 35 17.295 3.882 -3.161 1.00 0.32 N ATOM 537 CA SER A 35 18.413 3.456 -3.978 1.00 0.33 C ATOM 538 C SER A 35 18.560 1.940 -3.972 1.00 0.32 C ATOM 539 O SER A 35 17.995 1.265 -3.112 1.00 0.30 O ATOM 540 CB SER A 35 19.695 4.134 -3.489 1.00 0.37 C ATOM 541 OG SER A 35 20.792 3.844 -4.337 1.00 0.40 O ATOM 0 H SER A 35 17.559 4.459 -2.363 1.00 0.32 H new ATOM 0 HA SER A 35 18.224 3.756 -5.009 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.543 5.212 -3.445 1.00 0.37 H new ATOM 0 HB3 SER A 35 19.920 3.802 -2.475 1.00 0.37 H new ATOM 0 HG SER A 35 21.595 4.293 -3.999 1.00 0.40 H new ATOM 547 N LYS A 36 19.316 1.417 -4.935 1.00 0.38 N ATOM 548 CA LYS A 36 19.479 -0.023 -5.100 1.00 0.42 C ATOM 549 C LYS A 36 19.850 -0.683 -3.778 1.00 0.36 C ATOM 550 O LYS A 36 19.097 -1.504 -3.261 1.00 0.35 O ATOM 551 CB LYS A 36 20.551 -0.319 -6.155 1.00 0.53 C ATOM 552 CG LYS A 36 20.711 -1.798 -6.468 1.00 0.62 C ATOM 553 CD LYS A 36 19.446 -2.379 -7.075 1.00 0.66 C ATOM 554 CE LYS A 36 19.622 -3.842 -7.463 1.00 0.61 C ATOM 555 NZ LYS A 36 20.555 -4.011 -8.611 1.00 0.65 N ATOM 0 H LYS A 36 19.829 1.976 -5.617 1.00 0.38 H new ATOM 0 HA LYS A 36 18.528 -0.436 -5.435 1.00 0.42 H new ATOM 0 HB2 LYS A 36 20.300 0.212 -7.073 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.507 0.075 -5.809 1.00 0.53 H new ATOM 0 HG2 LYS A 36 21.544 -1.937 -7.158 1.00 0.62 H new ATOM 0 HG3 LYS A 36 20.959 -2.339 -5.555 1.00 0.62 H new ATOM 0 HD2 LYS A 36 18.627 -2.289 -6.362 1.00 0.66 H new ATOM 0 HD3 LYS A 36 19.167 -1.801 -7.956 1.00 0.66 H new ATOM 0 HE2 LYS A 36 19.998 -4.401 -6.606 1.00 0.61 H new ATOM 0 HE3 LYS A 36 18.652 -4.267 -7.720 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.579 -5.011 -8.894 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.229 -3.432 -9.411 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 21.509 -3.708 -8.330 1.00 0.65 H new ATOM 569 N THR A 37 20.987 -0.294 -3.219 1.00 0.37 N ATOM 570 CA THR A 37 21.460 -0.861 -1.965 1.00 0.38 C ATOM 571 C THR A 37 20.499 -0.559 -0.814 1.00 0.36 C ATOM 572 O THR A 37 20.352 -1.357 0.113 1.00 0.38 O ATOM 573 CB THR A 37 22.854 -0.325 -1.614 1.00 0.44 C ATOM 574 OG1 THR A 37 23.757 -0.579 -2.698 1.00 0.48 O ATOM 575 CG2 THR A 37 23.378 -0.980 -0.346 1.00 0.49 C ATOM 0 H THR A 37 21.602 0.416 -3.617 1.00 0.37 H new ATOM 0 HA THR A 37 21.512 -1.941 -2.103 1.00 0.38 H new ATOM 0 HB THR A 37 22.780 0.749 -1.445 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.646 -0.234 -2.471 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.368 -0.586 -0.115 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.700 -0.766 0.481 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.442 -2.058 -0.493 1.00 0.49 H new ATOM 583 N GLU A 38 19.820 0.575 -0.895 1.00 0.34 N ATOM 584 CA GLU A 38 18.895 0.978 0.149 1.00 0.34 C ATOM 585 C GLU A 38 17.675 0.080 0.120 1.00 0.34 C ATOM 586 O GLU A 38 17.065 -0.200 1.148 1.00 0.48 O ATOM 587 CB GLU A 38 18.498 2.445 -0.013 1.00 0.35 C ATOM 588 CG GLU A 38 19.510 3.428 0.558 1.00 0.47 C ATOM 589 CD GLU A 38 20.936 3.161 0.118 1.00 1.27 C ATOM 590 OE1 GLU A 38 21.347 3.685 -0.932 1.00 1.96 O ATOM 591 OE2 GLU A 38 21.660 2.440 0.838 1.00 2.16 O ATOM 0 H GLU A 38 19.893 1.231 -1.673 1.00 0.34 H new ATOM 0 HA GLU A 38 19.386 0.875 1.117 1.00 0.34 H new ATOM 0 HB2 GLU A 38 18.359 2.658 -1.073 1.00 0.35 H new ATOM 0 HB3 GLU A 38 17.536 2.606 0.474 1.00 0.35 H new ATOM 0 HG2 GLU A 38 19.230 4.438 0.259 1.00 0.47 H new ATOM 0 HG3 GLU A 38 19.463 3.393 1.646 1.00 0.47 H new ATOM 598 N PHE A 39 17.354 -0.394 -1.073 1.00 0.29 N ATOM 599 CA PHE A 39 16.240 -1.295 -1.274 1.00 0.31 C ATOM 600 C PHE A 39 16.648 -2.694 -0.868 1.00 0.28 C ATOM 601 O PHE A 39 15.847 -3.465 -0.343 1.00 0.27 O ATOM 602 CB PHE A 39 15.820 -1.268 -2.741 1.00 0.53 C ATOM 603 CG PHE A 39 14.544 -1.997 -3.018 1.00 0.81 C ATOM 604 CD1 PHE A 39 13.389 -1.670 -2.330 1.00 1.78 C ATOM 605 CD2 PHE A 39 14.497 -3.005 -3.965 1.00 1.76 C ATOM 606 CE1 PHE A 39 12.209 -2.334 -2.581 1.00 2.66 C ATOM 607 CE2 PHE A 39 13.319 -3.674 -4.222 1.00 2.62 C ATOM 608 CZ PHE A 39 12.172 -3.340 -3.530 1.00 2.88 C ATOM 0 H PHE A 39 17.861 -0.162 -1.927 1.00 0.29 H new ATOM 0 HA PHE A 39 15.395 -0.981 -0.662 1.00 0.31 H new ATOM 0 HB2 PHE A 39 15.711 -0.231 -3.059 1.00 0.53 H new ATOM 0 HB3 PHE A 39 16.615 -1.705 -3.345 1.00 0.53 H new ATOM 0 HD1 PHE A 39 13.413 -0.886 -1.588 1.00 1.78 H new ATOM 0 HD2 PHE A 39 15.392 -3.270 -4.508 1.00 1.76 H new ATOM 0 HE1 PHE A 39 11.314 -2.070 -2.038 1.00 2.66 H new ATOM 0 HE2 PHE A 39 13.294 -4.458 -4.964 1.00 2.62 H new ATOM 0 HZ PHE A 39 11.248 -3.863 -3.729 1.00 2.88 H new ATOM 618 N LEU A 40 17.910 -3.006 -1.114 1.00 0.33 N ATOM 619 CA LEU A 40 18.484 -4.264 -0.686 1.00 0.37 C ATOM 620 C LEU A 40 18.420 -4.355 0.831 1.00 0.40 C ATOM 621 O LEU A 40 17.974 -5.354 1.394 1.00 0.43 O ATOM 622 CB LEU A 40 19.934 -4.373 -1.155 1.00 0.43 C ATOM 623 CG LEU A 40 20.172 -4.117 -2.647 1.00 0.50 C ATOM 624 CD1 LEU A 40 21.526 -4.657 -3.077 1.00 1.07 C ATOM 625 CD2 LEU A 40 19.055 -4.705 -3.491 1.00 0.46 C ATOM 0 H LEU A 40 18.559 -2.397 -1.613 1.00 0.33 H new ATOM 0 HA LEU A 40 17.916 -5.085 -1.125 1.00 0.37 H new ATOM 0 HB2 LEU A 40 20.535 -3.666 -0.584 1.00 0.43 H new ATOM 0 HB3 LEU A 40 20.300 -5.371 -0.914 1.00 0.43 H new ATOM 0 HG LEU A 40 20.172 -3.039 -2.807 1.00 0.50 H new ATOM 0 HD11 LEU A 40 21.674 -4.464 -4.140 1.00 1.07 H new ATOM 0 HD12 LEU A 40 22.313 -4.164 -2.506 1.00 1.07 H new ATOM 0 HD13 LEU A 40 21.564 -5.731 -2.894 1.00 1.07 H new ATOM 0 HD21 LEU A 40 19.252 -4.507 -4.545 1.00 0.46 H new ATOM 0 HD22 LEU A 40 19.003 -5.781 -3.327 1.00 0.46 H new ATOM 0 HD23 LEU A 40 18.106 -4.249 -3.208 1.00 0.46 H new ATOM 637 N SER A 41 18.849 -3.282 1.475 1.00 0.42 N ATOM 638 CA SER A 41 18.783 -3.167 2.918 1.00 0.52 C ATOM 639 C SER A 41 17.329 -3.231 3.368 1.00 0.45 C ATOM 640 O SER A 41 16.991 -3.983 4.281 1.00 0.47 O ATOM 641 CB SER A 41 19.429 -1.851 3.367 1.00 0.67 C ATOM 642 OG SER A 41 19.415 -1.712 4.779 1.00 1.40 O ATOM 0 H SER A 41 19.252 -2.468 1.010 1.00 0.42 H new ATOM 0 HA SER A 41 19.329 -3.992 3.375 1.00 0.52 H new ATOM 0 HB2 SER A 41 20.457 -1.810 3.008 1.00 0.67 H new ATOM 0 HB3 SER A 41 18.899 -1.013 2.914 1.00 0.67 H new ATOM 0 HG SER A 41 20.313 -1.477 5.094 1.00 1.40 H new ATOM 648 N PHE A 42 16.474 -2.456 2.701 1.00 0.42 N ATOM 649 CA PHE A 42 15.046 -2.433 2.998 1.00 0.46 C ATOM 650 C PHE A 42 14.453 -3.824 2.948 1.00 0.29 C ATOM 651 O PHE A 42 13.968 -4.327 3.943 1.00 0.43 O ATOM 652 CB PHE A 42 14.295 -1.548 2.003 1.00 0.80 C ATOM 653 CG PHE A 42 12.831 -1.434 2.323 1.00 1.89 C ATOM 654 CD1 PHE A 42 12.377 -0.455 3.188 1.00 2.77 C ATOM 655 CD2 PHE A 42 11.913 -2.318 1.777 1.00 2.69 C ATOM 656 CE1 PHE A 42 11.040 -0.360 3.506 1.00 3.80 C ATOM 657 CE2 PHE A 42 10.574 -2.227 2.090 1.00 3.73 C ATOM 658 CZ PHE A 42 10.136 -1.247 2.957 1.00 4.13 C ATOM 0 H PHE A 42 16.752 -1.831 1.944 1.00 0.42 H new ATOM 0 HA PHE A 42 14.937 -2.029 4.005 1.00 0.46 H new ATOM 0 HB2 PHE A 42 14.741 -0.553 1.998 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.413 -1.955 0.999 1.00 0.80 H new ATOM 0 HD1 PHE A 42 13.079 0.243 3.619 1.00 2.77 H new ATOM 0 HD2 PHE A 42 12.251 -3.087 1.098 1.00 2.69 H new ATOM 0 HE1 PHE A 42 10.699 0.408 4.185 1.00 3.80 H new ATOM 0 HE2 PHE A 42 9.869 -2.921 1.658 1.00 3.73 H new ATOM 0 HZ PHE A 42 9.088 -1.174 3.206 1.00 4.13 H new ATOM 668 N MET A 43 14.492 -4.441 1.789 1.00 0.26 N ATOM 669 CA MET A 43 13.822 -5.719 1.604 1.00 0.29 C ATOM 670 C MET A 43 14.364 -6.811 2.518 1.00 0.29 C ATOM 671 O MET A 43 13.620 -7.693 2.925 1.00 0.37 O ATOM 672 CB MET A 43 13.910 -6.180 0.167 1.00 0.39 C ATOM 673 CG MET A 43 13.040 -5.388 -0.792 1.00 0.62 C ATOM 674 SD MET A 43 12.573 -6.335 -2.259 1.00 1.22 S ATOM 675 CE MET A 43 11.509 -7.586 -1.540 1.00 2.26 C ATOM 0 H MET A 43 14.975 -4.087 0.963 1.00 0.26 H new ATOM 0 HA MET A 43 12.779 -5.548 1.871 1.00 0.29 H new ATOM 0 HB2 MET A 43 14.947 -6.114 -0.162 1.00 0.39 H new ATOM 0 HB3 MET A 43 13.625 -7.231 0.116 1.00 0.39 H new ATOM 0 HG2 MET A 43 12.138 -5.062 -0.273 1.00 0.62 H new ATOM 0 HG3 MET A 43 13.573 -4.488 -1.100 1.00 0.62 H new ATOM 0 HE1 MET A 43 11.958 -8.569 -1.679 1.00 2.26 H new ATOM 0 HE2 MET A 43 11.386 -7.391 -0.475 1.00 2.26 H new ATOM 0 HE3 MET A 43 10.535 -7.560 -2.028 1.00 2.26 H new ATOM 685 N ASN A 44 15.647 -6.772 2.843 1.00 0.29 N ATOM 686 CA ASN A 44 16.204 -7.787 3.733 1.00 0.33 C ATOM 687 C ASN A 44 15.818 -7.533 5.179 1.00 0.32 C ATOM 688 O ASN A 44 15.923 -8.427 6.013 1.00 0.39 O ATOM 689 CB ASN A 44 17.722 -7.868 3.654 1.00 0.42 C ATOM 690 CG ASN A 44 18.230 -8.660 2.465 1.00 1.05 C ATOM 691 OD1 ASN A 44 18.324 -9.886 2.520 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.595 -7.971 1.402 1.00 1.83 N ATOM 0 H ASN A 44 16.310 -6.069 2.516 1.00 0.29 H new ATOM 0 HA ASN A 44 15.782 -8.732 3.393 1.00 0.33 H new ATOM 0 HB2 ASN A 44 18.129 -6.858 3.607 1.00 0.42 H new ATOM 0 HB3 ASN A 44 18.101 -8.322 4.570 1.00 0.42 H new ATOM 0 HD21 ASN A 44 18.971 -8.454 0.586 1.00 1.83 H new ATOM 0 HD22 ASN A 44 18.501 -6.955 1.396 1.00 1.83 H new ATOM 699 N THR A 45 15.407 -6.314 5.489 1.00 0.26 N ATOM 700 CA THR A 45 15.025 -5.982 6.860 1.00 0.29 C ATOM 701 C THR A 45 13.515 -5.872 7.013 1.00 0.28 C ATOM 702 O THR A 45 12.887 -6.646 7.734 1.00 0.34 O ATOM 703 CB THR A 45 15.662 -4.659 7.318 1.00 0.29 C ATOM 704 OG1 THR A 45 15.469 -3.655 6.319 1.00 0.34 O ATOM 705 CG2 THR A 45 17.146 -4.835 7.594 1.00 0.34 C ATOM 0 H THR A 45 15.328 -5.545 4.824 1.00 0.26 H new ATOM 0 HA THR A 45 15.391 -6.797 7.484 1.00 0.29 H new ATOM 0 HB THR A 45 15.177 -4.348 8.243 1.00 0.29 H new ATOM 0 HG1 THR A 45 16.115 -3.786 5.594 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.571 -3.885 7.916 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.284 -5.579 8.379 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.648 -5.168 6.686 1.00 0.34 H new ATOM 713 N GLU A 46 12.948 -4.918 6.300 1.00 0.23 N ATOM 714 CA GLU A 46 11.543 -4.595 6.406 1.00 0.25 C ATOM 715 C GLU A 46 10.688 -5.590 5.633 1.00 0.25 C ATOM 716 O GLU A 46 9.473 -5.580 5.739 1.00 0.34 O ATOM 717 CB GLU A 46 11.289 -3.181 5.891 1.00 0.29 C ATOM 718 CG GLU A 46 12.128 -2.116 6.581 1.00 0.58 C ATOM 719 CD GLU A 46 11.865 -2.026 8.073 1.00 1.17 C ATOM 720 OE1 GLU A 46 12.513 -2.765 8.840 1.00 1.68 O ATOM 721 OE2 GLU A 46 11.016 -1.206 8.488 1.00 1.70 O ATOM 0 H GLU A 46 13.455 -4.343 5.627 1.00 0.23 H new ATOM 0 HA GLU A 46 11.263 -4.652 7.458 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.492 -3.153 4.820 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.234 -2.941 6.022 1.00 0.29 H new ATOM 0 HG2 GLU A 46 13.184 -2.331 6.416 1.00 0.58 H new ATOM 0 HG3 GLU A 46 11.924 -1.148 6.123 1.00 0.58 H new ATOM 728 N LEU A 47 11.317 -6.431 4.834 1.00 0.25 N ATOM 729 CA LEU A 47 10.592 -7.484 4.141 1.00 0.26 C ATOM 730 C LEU A 47 11.328 -8.798 4.258 1.00 0.28 C ATOM 731 O LEU A 47 11.248 -9.653 3.376 1.00 0.30 O ATOM 732 CB LEU A 47 10.390 -7.128 2.675 1.00 0.26 C ATOM 733 CG LEU A 47 9.525 -5.900 2.431 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.505 -5.560 0.956 1.00 0.32 C ATOM 735 CD2 LEU A 47 8.118 -6.144 2.956 1.00 0.27 C ATOM 0 H LEU A 47 12.320 -6.408 4.648 1.00 0.25 H new ATOM 0 HA LEU A 47 9.613 -7.585 4.610 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.366 -6.965 2.217 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.938 -7.980 2.167 1.00 0.26 H new ATOM 0 HG LEU A 47 9.948 -5.050 2.967 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.883 -4.680 0.794 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.520 -5.355 0.616 1.00 0.32 H new ATOM 0 HD13 LEU A 47 9.098 -6.401 0.394 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.505 -5.261 2.778 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.681 -6.999 2.441 1.00 0.27 H new ATOM 0 HD23 LEU A 47 8.159 -6.347 4.026 1.00 0.27 H new ATOM 747 N ALA A 48 12.066 -8.947 5.345 1.00 0.32 N ATOM 748 CA ALA A 48 12.814 -10.161 5.605 1.00 0.36 C ATOM 749 C ALA A 48 11.902 -11.388 5.630 1.00 0.39 C ATOM 750 O ALA A 48 12.354 -12.505 5.384 1.00 0.44 O ATOM 751 CB ALA A 48 13.582 -10.015 6.904 1.00 0.41 C ATOM 0 H ALA A 48 12.162 -8.233 6.067 1.00 0.32 H new ATOM 0 HA ALA A 48 13.524 -10.315 4.792 1.00 0.36 H new ATOM 0 HB1 ALA A 48 14.144 -10.928 7.099 1.00 0.41 H new ATOM 0 HB2 ALA A 48 14.271 -9.174 6.827 1.00 0.41 H new ATOM 0 HB3 ALA A 48 12.883 -9.838 7.722 1.00 0.41 H new ATOM 757 N ALA A 49 10.620 -11.177 5.904 1.00 0.38 N ATOM 758 CA ALA A 49 9.633 -12.246 5.817 1.00 0.41 C ATOM 759 C ALA A 49 9.615 -12.831 4.412 1.00 0.41 C ATOM 760 O ALA A 49 9.673 -14.047 4.221 1.00 0.47 O ATOM 761 CB ALA A 49 8.252 -11.713 6.167 1.00 0.44 C ATOM 0 H ALA A 49 10.240 -10.274 6.189 1.00 0.38 H new ATOM 0 HA ALA A 49 9.904 -13.029 6.526 1.00 0.41 H new ATOM 0 HB1 ALA A 49 7.522 -12.520 6.099 1.00 0.44 H new ATOM 0 HB2 ALA A 49 8.261 -11.317 7.183 1.00 0.44 H new ATOM 0 HB3 ALA A 49 7.981 -10.919 5.471 1.00 0.44 H new ATOM 767 N PHE A 50 9.570 -11.941 3.438 1.00 0.36 N ATOM 768 CA PHE A 50 9.446 -12.316 2.042 1.00 0.37 C ATOM 769 C PHE A 50 10.813 -12.620 1.432 1.00 0.38 C ATOM 770 O PHE A 50 10.954 -13.519 0.605 1.00 0.44 O ATOM 771 CB PHE A 50 8.787 -11.167 1.286 1.00 0.35 C ATOM 772 CG PHE A 50 8.242 -11.552 -0.063 1.00 0.70 C ATOM 773 CD1 PHE A 50 6.940 -12.010 -0.189 1.00 1.63 C ATOM 774 CD2 PHE A 50 9.027 -11.456 -1.200 1.00 1.32 C ATOM 775 CE1 PHE A 50 6.431 -12.366 -1.424 1.00 2.09 C ATOM 776 CE2 PHE A 50 8.523 -11.811 -2.437 1.00 1.66 C ATOM 777 CZ PHE A 50 7.225 -12.266 -2.550 1.00 1.80 C ATOM 0 H PHE A 50 9.619 -10.934 3.594 1.00 0.36 H new ATOM 0 HA PHE A 50 8.838 -13.218 1.967 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.975 -10.765 1.893 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.515 -10.366 1.157 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.315 -12.090 0.688 1.00 1.63 H new ATOM 0 HD2 PHE A 50 10.043 -11.100 -1.119 1.00 1.32 H new ATOM 0 HE1 PHE A 50 5.415 -12.722 -1.508 1.00 2.09 H new ATOM 0 HE2 PHE A 50 9.146 -11.732 -3.316 1.00 1.66 H new ATOM 0 HZ PHE A 50 6.831 -12.543 -3.517 1.00 1.80 H new ATOM 787 N THR A 51 11.806 -11.859 1.847 1.00 0.36 N ATOM 788 CA THR A 51 13.133 -11.935 1.267 1.00 0.40 C ATOM 789 C THR A 51 13.975 -13.074 1.845 1.00 0.45 C ATOM 790 O THR A 51 14.524 -13.885 1.103 1.00 0.54 O ATOM 791 CB THR A 51 13.868 -10.605 1.488 1.00 0.39 C ATOM 792 OG1 THR A 51 13.148 -9.536 0.863 1.00 0.39 O ATOM 793 CG2 THR A 51 15.287 -10.663 0.947 1.00 0.49 C ATOM 0 H THR A 51 11.717 -11.171 2.595 1.00 0.36 H new ATOM 0 HA THR A 51 13.001 -12.136 0.204 1.00 0.40 H new ATOM 0 HB THR A 51 13.923 -10.424 2.561 1.00 0.39 H new ATOM 0 HG1 THR A 51 13.082 -8.780 1.483 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.781 -9.707 1.118 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.839 -11.453 1.457 1.00 0.49 H new ATOM 0 HG23 THR A 51 15.260 -10.871 -0.123 1.00 0.49 H new ATOM 801 N LYS A 52 14.058 -13.142 3.168 1.00 0.48 N ATOM 802 CA LYS A 52 15.043 -14.000 3.828 1.00 0.60 C ATOM 803 C LYS A 52 14.743 -15.482 3.673 1.00 0.69 C ATOM 804 O LYS A 52 15.594 -16.321 3.968 1.00 0.84 O ATOM 805 CB LYS A 52 15.149 -13.653 5.300 1.00 0.70 C ATOM 806 CG LYS A 52 15.859 -12.336 5.546 1.00 0.78 C ATOM 807 CD LYS A 52 17.312 -12.407 5.117 1.00 1.07 C ATOM 808 CE LYS A 52 18.076 -11.153 5.501 1.00 1.24 C ATOM 809 NZ LYS A 52 19.487 -11.204 5.036 1.00 1.82 N ATOM 0 H LYS A 52 13.459 -12.617 3.806 1.00 0.48 H new ATOM 0 HA LYS A 52 15.994 -13.810 3.331 1.00 0.60 H new ATOM 0 HB2 LYS A 52 14.149 -13.607 5.730 1.00 0.70 H new ATOM 0 HB3 LYS A 52 15.682 -14.450 5.819 1.00 0.70 H new ATOM 0 HG2 LYS A 52 15.354 -11.540 4.999 1.00 0.78 H new ATOM 0 HG3 LYS A 52 15.802 -12.081 6.604 1.00 0.78 H new ATOM 0 HD2 LYS A 52 17.784 -13.275 5.576 1.00 1.07 H new ATOM 0 HD3 LYS A 52 17.366 -12.549 4.038 1.00 1.07 H new ATOM 0 HE2 LYS A 52 17.583 -10.281 5.072 1.00 1.24 H new ATOM 0 HE3 LYS A 52 18.054 -11.031 6.584 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 20.085 -10.645 5.678 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 19.815 -12.191 5.029 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 19.550 -10.812 4.075 1.00 1.82 H new ATOM 823 N ASN A 53 13.552 -15.811 3.206 1.00 0.68 N ATOM 824 CA ASN A 53 13.198 -17.208 3.016 1.00 0.85 C ATOM 825 C ASN A 53 13.726 -17.704 1.672 1.00 1.00 C ATOM 826 O ASN A 53 13.605 -18.882 1.336 1.00 1.22 O ATOM 827 CB ASN A 53 11.684 -17.428 3.134 1.00 0.92 C ATOM 828 CG ASN A 53 10.896 -16.937 1.933 1.00 1.40 C ATOM 829 OD1 ASN A 53 10.798 -17.627 0.915 1.00 1.94 O ATOM 830 ND2 ASN A 53 10.279 -15.777 2.062 1.00 2.05 N ATOM 0 H ASN A 53 12.823 -15.143 2.955 1.00 0.68 H new ATOM 0 HA ASN A 53 13.667 -17.790 3.810 1.00 0.85 H new ATOM 0 HB2 ASN A 53 11.491 -18.492 3.273 1.00 0.92 H new ATOM 0 HB3 ASN A 53 11.321 -16.919 4.027 1.00 0.92 H new ATOM 0 HD21 ASN A 53 9.696 -15.422 1.304 1.00 2.05 H new ATOM 0 HD22 ASN A 53 10.385 -15.236 2.920 1.00 2.05 H new ATOM 837 N GLN A 54 14.315 -16.788 0.913 1.00 1.02 N ATOM 838 CA GLN A 54 14.994 -17.127 -0.324 1.00 1.29 C ATOM 839 C GLN A 54 16.406 -16.549 -0.294 1.00 1.33 C ATOM 840 O GLN A 54 16.600 -15.342 -0.449 1.00 2.05 O ATOM 841 CB GLN A 54 14.222 -16.594 -1.536 1.00 1.74 C ATOM 842 CG GLN A 54 14.815 -17.025 -2.870 1.00 2.17 C ATOM 843 CD GLN A 54 13.976 -16.585 -4.052 1.00 2.40 C ATOM 844 OE1 GLN A 54 14.182 -15.511 -4.618 1.00 2.91 O ATOM 845 NE2 GLN A 54 13.021 -17.415 -4.433 1.00 2.71 N ATOM 0 H GLN A 54 14.334 -15.794 1.140 1.00 1.02 H new ATOM 0 HA GLN A 54 15.046 -18.212 -0.416 1.00 1.29 H new ATOM 0 HB2 GLN A 54 13.189 -16.937 -1.479 1.00 1.74 H new ATOM 0 HB3 GLN A 54 14.199 -15.505 -1.492 1.00 1.74 H new ATOM 0 HG2 GLN A 54 15.818 -16.611 -2.968 1.00 2.17 H new ATOM 0 HG3 GLN A 54 14.915 -18.110 -2.885 1.00 2.17 H new ATOM 0 HE21 GLN A 54 12.883 -18.296 -3.937 1.00 2.71 H new ATOM 0 HE22 GLN A 54 12.422 -17.175 -5.223 1.00 2.71 H new ATOM 854 N LYS A 55 17.386 -17.411 -0.073 1.00 1.44 N ATOM 855 CA LYS A 55 18.767 -16.975 0.083 1.00 1.87 C ATOM 856 C LYS A 55 19.411 -16.679 -1.272 1.00 1.59 C ATOM 857 O LYS A 55 20.237 -17.448 -1.772 1.00 2.27 O ATOM 858 CB LYS A 55 19.571 -18.035 0.846 1.00 2.84 C ATOM 859 CG LYS A 55 21.002 -17.621 1.163 1.00 3.60 C ATOM 860 CD LYS A 55 21.052 -16.345 1.988 1.00 4.29 C ATOM 861 CE LYS A 55 22.484 -15.927 2.282 1.00 5.02 C ATOM 862 NZ LYS A 55 23.193 -16.914 3.140 1.00 5.58 N ATOM 0 H LYS A 55 17.251 -18.419 0.003 1.00 1.44 H new ATOM 0 HA LYS A 55 18.770 -16.049 0.659 1.00 1.87 H new ATOM 0 HB2 LYS A 55 19.056 -18.265 1.779 1.00 2.84 H new ATOM 0 HB3 LYS A 55 19.591 -18.953 0.258 1.00 2.84 H new ATOM 0 HG2 LYS A 55 21.501 -18.424 1.705 1.00 3.60 H new ATOM 0 HG3 LYS A 55 21.552 -17.474 0.234 1.00 3.60 H new ATOM 0 HD2 LYS A 55 20.541 -15.545 1.453 1.00 4.29 H new ATOM 0 HD3 LYS A 55 20.516 -16.495 2.925 1.00 4.29 H new ATOM 0 HE2 LYS A 55 23.026 -15.808 1.344 1.00 5.02 H new ATOM 0 HE3 LYS A 55 22.483 -14.955 2.775 1.00 5.02 H new ATOM 0 HZ1 LYS A 55 24.108 -16.520 3.440 1.00 5.58 H new ATOM 0 HZ2 LYS A 55 22.615 -17.124 3.979 1.00 5.58 H new ATOM 0 HZ3 LYS A 55 23.353 -17.790 2.602 1.00 5.58 H new ATOM 876 N ASP A 56 19.019 -15.562 -1.862 1.00 1.36 N ATOM 877 CA ASP A 56 19.598 -15.101 -3.114 1.00 1.50 C ATOM 878 C ASP A 56 19.373 -13.601 -3.253 1.00 1.27 C ATOM 879 O ASP A 56 18.240 -13.158 -3.400 1.00 1.44 O ATOM 880 CB ASP A 56 18.973 -15.836 -4.305 1.00 2.13 C ATOM 881 CG ASP A 56 19.690 -15.550 -5.612 1.00 2.83 C ATOM 882 OD1 ASP A 56 19.503 -14.458 -6.181 1.00 3.44 O ATOM 883 OD2 ASP A 56 20.443 -16.431 -6.087 1.00 3.39 O ATOM 0 H ASP A 56 18.293 -14.951 -1.489 1.00 1.36 H new ATOM 0 HA ASP A 56 20.667 -15.312 -3.106 1.00 1.50 H new ATOM 0 HB2 ASP A 56 18.989 -16.909 -4.114 1.00 2.13 H new ATOM 0 HB3 ASP A 56 17.927 -15.545 -4.398 1.00 2.13 H new ATOM 888 N PRO A 57 20.444 -12.796 -3.196 1.00 1.06 N ATOM 889 CA PRO A 57 20.341 -11.331 -3.255 1.00 1.02 C ATOM 890 C PRO A 57 19.812 -10.822 -4.595 1.00 0.75 C ATOM 891 O PRO A 57 19.491 -9.641 -4.742 1.00 0.70 O ATOM 892 CB PRO A 57 21.781 -10.858 -3.040 1.00 1.20 C ATOM 893 CG PRO A 57 22.624 -12.016 -3.440 1.00 1.20 C ATOM 894 CD PRO A 57 21.841 -13.240 -3.061 1.00 1.14 C ATOM 0 HA PRO A 57 19.635 -10.954 -2.515 1.00 1.02 H new ATOM 0 HB2 PRO A 57 22.003 -9.979 -3.645 1.00 1.20 H new ATOM 0 HB3 PRO A 57 21.956 -10.582 -2.000 1.00 1.20 H new ATOM 0 HG2 PRO A 57 22.830 -11.999 -4.510 1.00 1.20 H new ATOM 0 HG3 PRO A 57 23.587 -11.994 -2.930 1.00 1.20 H new ATOM 0 HD2 PRO A 57 22.063 -14.080 -3.719 1.00 1.14 H new ATOM 0 HD3 PRO A 57 22.065 -13.563 -2.044 1.00 1.14 H new ATOM 902 N GLY A 58 19.708 -11.721 -5.564 1.00 0.67 N ATOM 903 CA GLY A 58 19.258 -11.343 -6.885 1.00 0.56 C ATOM 904 C GLY A 58 17.759 -11.193 -6.965 1.00 0.49 C ATOM 905 O GLY A 58 17.232 -10.707 -7.960 1.00 0.48 O ATOM 0 H GLY A 58 19.929 -12.711 -5.456 1.00 0.67 H new ATOM 0 HA2 GLY A 58 19.730 -10.403 -7.170 1.00 0.56 H new ATOM 0 HA3 GLY A 58 19.583 -12.094 -7.605 1.00 0.56 H new ATOM 909 N VAL A 59 17.059 -11.607 -5.923 1.00 0.52 N ATOM 910 CA VAL A 59 15.609 -11.505 -5.913 1.00 0.52 C ATOM 911 C VAL A 59 15.163 -10.060 -5.813 1.00 0.49 C ATOM 912 O VAL A 59 14.230 -9.639 -6.497 1.00 0.49 O ATOM 913 CB VAL A 59 14.976 -12.324 -4.768 1.00 0.61 C ATOM 914 CG1 VAL A 59 15.542 -11.914 -3.418 1.00 0.65 C ATOM 915 CG2 VAL A 59 13.466 -12.162 -4.775 1.00 0.66 C ATOM 0 H VAL A 59 17.466 -12.013 -5.080 1.00 0.52 H new ATOM 0 HA VAL A 59 15.263 -11.922 -6.859 1.00 0.52 H new ATOM 0 HB VAL A 59 15.221 -13.373 -4.932 1.00 0.61 H new ATOM 0 HG11 VAL A 59 15.076 -12.509 -2.632 1.00 0.65 H new ATOM 0 HG12 VAL A 59 16.619 -12.081 -3.409 1.00 0.65 H new ATOM 0 HG13 VAL A 59 15.337 -10.858 -3.243 1.00 0.65 H new ATOM 0 HG21 VAL A 59 13.034 -12.745 -3.962 1.00 0.66 H new ATOM 0 HG22 VAL A 59 13.212 -11.110 -4.642 1.00 0.66 H new ATOM 0 HG23 VAL A 59 13.067 -12.514 -5.726 1.00 0.66 H new ATOM 925 N LEU A 60 15.847 -9.296 -4.983 1.00 0.48 N ATOM 926 CA LEU A 60 15.519 -7.893 -4.811 1.00 0.46 C ATOM 927 C LEU A 60 15.878 -7.147 -6.081 1.00 0.43 C ATOM 928 O LEU A 60 15.384 -6.057 -6.350 1.00 0.41 O ATOM 929 CB LEU A 60 16.274 -7.297 -3.628 1.00 0.48 C ATOM 930 CG LEU A 60 16.363 -8.199 -2.397 1.00 0.51 C ATOM 931 CD1 LEU A 60 17.074 -7.487 -1.262 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.979 -8.646 -1.967 1.00 0.52 C ATOM 0 H LEU A 60 16.631 -9.622 -4.418 1.00 0.48 H new ATOM 0 HA LEU A 60 14.452 -7.800 -4.610 1.00 0.46 H new ATOM 0 HB2 LEU A 60 17.285 -7.047 -3.950 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.791 -6.363 -3.341 1.00 0.48 H new ATOM 0 HG LEU A 60 16.944 -9.083 -2.659 1.00 0.51 H new ATOM 0 HD11 LEU A 60 17.127 -8.146 -0.395 1.00 0.51 H new ATOM 0 HD12 LEU A 60 18.083 -7.219 -1.576 1.00 0.51 H new ATOM 0 HD13 LEU A 60 16.524 -6.584 -0.998 1.00 0.51 H new ATOM 0 HD21 LEU A 60 15.060 -9.287 -1.089 1.00 0.52 H new ATOM 0 HD22 LEU A 60 14.374 -7.773 -1.724 1.00 0.52 H new ATOM 0 HD23 LEU A 60 14.507 -9.200 -2.779 1.00 0.52 H new ATOM 944 N ASP A 61 16.744 -7.776 -6.855 1.00 0.46 N ATOM 945 CA ASP A 61 17.154 -7.259 -8.151 1.00 0.46 C ATOM 946 C ASP A 61 16.005 -7.386 -9.129 1.00 0.47 C ATOM 947 O ASP A 61 15.719 -6.477 -9.909 1.00 0.51 O ATOM 948 CB ASP A 61 18.360 -8.040 -8.670 1.00 0.47 C ATOM 949 CG ASP A 61 19.064 -7.348 -9.819 1.00 0.48 C ATOM 950 OD1 ASP A 61 19.907 -6.458 -9.557 1.00 1.19 O ATOM 951 OD2 ASP A 61 18.799 -7.709 -10.985 1.00 1.22 O ATOM 0 H ASP A 61 17.184 -8.661 -6.604 1.00 0.46 H new ATOM 0 HA ASP A 61 17.431 -6.210 -8.047 1.00 0.46 H new ATOM 0 HB2 ASP A 61 19.068 -8.189 -7.854 1.00 0.47 H new ATOM 0 HB3 ASP A 61 18.034 -9.028 -8.993 1.00 0.47 H new ATOM 956 N ARG A 62 15.341 -8.525 -9.053 1.00 0.47 N ATOM 957 CA ARG A 62 14.178 -8.804 -9.873 1.00 0.51 C ATOM 958 C ARG A 62 13.048 -7.855 -9.499 1.00 0.50 C ATOM 959 O ARG A 62 12.325 -7.363 -10.365 1.00 0.56 O ATOM 960 CB ARG A 62 13.742 -10.251 -9.665 1.00 0.55 C ATOM 961 CG ARG A 62 14.888 -11.242 -9.771 1.00 0.55 C ATOM 962 CD ARG A 62 14.459 -12.626 -9.344 1.00 0.62 C ATOM 963 NE ARG A 62 15.532 -13.606 -9.484 1.00 1.45 N ATOM 964 CZ ARG A 62 15.327 -14.906 -9.685 1.00 1.97 C ATOM 965 NH1 ARG A 62 14.092 -15.381 -9.777 1.00 1.66 N ATOM 966 NH2 ARG A 62 16.358 -15.729 -9.792 1.00 3.02 N ATOM 0 H ARG A 62 15.594 -9.283 -8.420 1.00 0.47 H new ATOM 0 HA ARG A 62 14.429 -8.657 -10.924 1.00 0.51 H new ATOM 0 HB2 ARG A 62 13.277 -10.346 -8.684 1.00 0.55 H new ATOM 0 HB3 ARG A 62 12.982 -10.504 -10.404 1.00 0.55 H new ATOM 0 HG2 ARG A 62 15.251 -11.272 -10.798 1.00 0.55 H new ATOM 0 HG3 ARG A 62 15.719 -10.908 -9.149 1.00 0.55 H new ATOM 0 HD2 ARG A 62 14.129 -12.598 -8.306 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.603 -12.939 -9.942 1.00 0.62 H new ATOM 0 HE ARG A 62 16.495 -13.275 -9.424 1.00 1.45 H new ATOM 0 HH11 ARG A 62 13.295 -14.750 -9.694 1.00 1.66 H new ATOM 0 HH12 ARG A 62 13.939 -16.378 -9.931 1.00 1.66 H new ATOM 0 HH21 ARG A 62 17.309 -15.367 -9.720 1.00 3.02 H new ATOM 0 HH22 ARG A 62 16.202 -16.725 -9.946 1.00 3.02 H new ATOM 980 N MET A 63 12.908 -7.606 -8.197 1.00 0.45 N ATOM 981 CA MET A 63 11.930 -6.643 -7.699 1.00 0.44 C ATOM 982 C MET A 63 12.281 -5.264 -8.206 1.00 0.41 C ATOM 983 O MET A 63 11.436 -4.558 -8.745 1.00 0.42 O ATOM 984 CB MET A 63 11.911 -6.611 -6.174 1.00 0.43 C ATOM 985 CG MET A 63 11.775 -7.978 -5.540 1.00 0.49 C ATOM 986 SD MET A 63 10.225 -8.791 -5.978 1.00 0.64 S ATOM 987 CE MET A 63 10.399 -10.344 -5.106 1.00 1.54 C ATOM 0 H MET A 63 13.460 -8.059 -7.469 1.00 0.45 H new ATOM 0 HA MET A 63 10.946 -6.946 -8.056 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.829 -6.144 -5.817 1.00 0.43 H new ATOM 0 HB3 MET A 63 11.084 -5.982 -5.843 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.611 -8.604 -5.852 1.00 0.49 H new ATOM 0 HG3 MET A 63 11.837 -7.880 -4.456 1.00 0.49 H new ATOM 0 HE1 MET A 63 9.422 -10.817 -5.007 1.00 1.54 H new ATOM 0 HE2 MET A 63 11.066 -11.002 -5.664 1.00 1.54 H new ATOM 0 HE3 MET A 63 10.815 -10.160 -4.116 1.00 1.54 H new ATOM 997 N MET A 64 13.543 -4.899 -8.025 1.00 0.41 N ATOM 998 CA MET A 64 14.055 -3.621 -8.484 1.00 0.42 C ATOM 999 C MET A 64 13.601 -3.330 -9.901 1.00 0.44 C ATOM 1000 O MET A 64 12.955 -2.334 -10.142 1.00 0.41 O ATOM 1001 CB MET A 64 15.581 -3.606 -8.447 1.00 0.55 C ATOM 1002 CG MET A 64 16.184 -2.352 -9.056 1.00 0.65 C ATOM 1003 SD MET A 64 17.741 -2.680 -9.901 1.00 1.87 S ATOM 1004 CE MET A 64 18.157 -1.038 -10.475 1.00 2.41 C ATOM 0 H MET A 64 14.237 -5.481 -7.556 1.00 0.41 H new ATOM 0 HA MET A 64 13.663 -2.856 -7.814 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.913 -3.695 -7.413 1.00 0.55 H new ATOM 0 HB3 MET A 64 15.959 -4.478 -8.980 1.00 0.55 H new ATOM 0 HG2 MET A 64 15.476 -1.917 -9.761 1.00 0.65 H new ATOM 0 HG3 MET A 64 16.348 -1.613 -8.272 1.00 0.65 H new ATOM 0 HE1 MET A 64 18.141 -1.019 -11.565 1.00 2.41 H new ATOM 0 HE2 MET A 64 17.431 -0.323 -10.089 1.00 2.41 H new ATOM 0 HE3 MET A 64 19.153 -0.771 -10.122 1.00 2.41 H new ATOM 1014 N LYS A 65 13.901 -4.235 -10.819 1.00 0.52 N ATOM 1015 CA LYS A 65 13.723 -3.967 -12.245 1.00 0.56 C ATOM 1016 C LYS A 65 12.270 -3.689 -12.630 1.00 0.54 C ATOM 1017 O LYS A 65 12.003 -2.732 -13.356 1.00 0.60 O ATOM 1018 CB LYS A 65 14.283 -5.116 -13.075 1.00 0.66 C ATOM 1019 CG LYS A 65 15.787 -5.272 -12.936 1.00 0.79 C ATOM 1020 CD LYS A 65 16.517 -3.988 -13.305 1.00 0.86 C ATOM 1021 CE LYS A 65 18.024 -4.176 -13.251 1.00 1.57 C ATOM 1022 NZ LYS A 65 18.756 -2.980 -13.745 1.00 2.49 N ATOM 0 H LYS A 65 14.269 -5.162 -10.607 1.00 0.52 H new ATOM 0 HA LYS A 65 14.280 -3.055 -12.461 1.00 0.56 H new ATOM 0 HB2 LYS A 65 13.798 -6.044 -12.774 1.00 0.66 H new ATOM 0 HB3 LYS A 65 14.036 -4.953 -14.124 1.00 0.66 H new ATOM 0 HG2 LYS A 65 16.032 -5.549 -11.911 1.00 0.79 H new ATOM 0 HG3 LYS A 65 16.130 -6.084 -13.577 1.00 0.79 H new ATOM 0 HD2 LYS A 65 16.223 -3.675 -14.307 1.00 0.86 H new ATOM 0 HD3 LYS A 65 16.223 -3.191 -12.622 1.00 0.86 H new ATOM 0 HE2 LYS A 65 18.326 -4.387 -12.225 1.00 1.57 H new ATOM 0 HE3 LYS A 65 18.302 -5.043 -13.850 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 19.717 -2.973 -13.349 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 18.810 -3.010 -14.783 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 18.254 -2.119 -13.449 1.00 2.49 H new ATOM 1036 N LYS A 66 11.339 -4.518 -12.162 1.00 0.50 N ATOM 1037 CA LYS A 66 9.914 -4.307 -12.451 1.00 0.52 C ATOM 1038 C LYS A 66 9.446 -2.975 -11.914 1.00 0.48 C ATOM 1039 O LYS A 66 8.783 -2.198 -12.600 1.00 0.55 O ATOM 1040 CB LYS A 66 9.041 -5.386 -11.814 1.00 0.55 C ATOM 1041 CG LYS A 66 9.628 -5.999 -10.566 1.00 0.91 C ATOM 1042 CD LYS A 66 8.684 -7.009 -9.927 1.00 0.96 C ATOM 1043 CE LYS A 66 7.528 -6.325 -9.213 1.00 0.73 C ATOM 1044 NZ LYS A 66 6.500 -7.298 -8.760 1.00 1.47 N ATOM 0 H LYS A 66 11.538 -5.336 -11.586 1.00 0.50 H new ATOM 0 HA LYS A 66 9.815 -4.342 -13.536 1.00 0.52 H new ATOM 0 HB2 LYS A 66 8.069 -4.955 -11.572 1.00 0.55 H new ATOM 0 HB3 LYS A 66 8.866 -6.175 -12.545 1.00 0.55 H new ATOM 0 HG2 LYS A 66 10.570 -6.489 -10.812 1.00 0.91 H new ATOM 0 HG3 LYS A 66 9.856 -5.211 -9.848 1.00 0.91 H new ATOM 0 HD2 LYS A 66 8.293 -7.678 -10.694 1.00 0.96 H new ATOM 0 HD3 LYS A 66 9.236 -7.625 -9.218 1.00 0.96 H new ATOM 0 HE2 LYS A 66 7.908 -5.773 -8.354 1.00 0.73 H new ATOM 0 HE3 LYS A 66 7.069 -5.597 -9.882 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 5.730 -6.791 -8.279 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 6.118 -7.807 -9.582 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 6.932 -7.978 -8.102 1.00 1.47 H new ATOM 1058 N LEU A 67 9.791 -2.741 -10.671 1.00 0.41 N ATOM 1059 CA LEU A 67 9.339 -1.581 -9.943 1.00 0.39 C ATOM 1060 C LEU A 67 10.044 -0.338 -10.433 1.00 0.40 C ATOM 1061 O LEU A 67 9.459 0.738 -10.448 1.00 0.46 O ATOM 1062 CB LEU A 67 9.654 -1.792 -8.491 1.00 0.34 C ATOM 1063 CG LEU A 67 9.081 -3.066 -7.879 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.628 -3.270 -6.480 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.563 -3.024 -7.871 1.00 0.37 C ATOM 0 H LEU A 67 10.399 -3.357 -10.131 1.00 0.41 H new ATOM 0 HA LEU A 67 8.267 -1.449 -10.093 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.737 -1.805 -8.369 1.00 0.34 H new ATOM 0 HB3 LEU A 67 9.280 -0.937 -7.927 1.00 0.34 H new ATOM 0 HG LEU A 67 9.387 -3.914 -8.492 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.210 -4.183 -6.056 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.714 -3.353 -6.523 1.00 0.30 H new ATOM 0 HD13 LEU A 67 9.353 -2.421 -5.855 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.176 -3.943 -7.430 1.00 0.37 H new ATOM 0 HD22 LEU A 67 7.226 -2.170 -7.284 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.196 -2.929 -8.893 1.00 0.37 H new ATOM 1077 N ASP A 68 11.313 -0.506 -10.805 1.00 0.40 N ATOM 1078 CA ASP A 68 12.114 0.555 -11.405 1.00 0.42 C ATOM 1079 C ASP A 68 11.559 0.837 -12.789 1.00 0.52 C ATOM 1080 O ASP A 68 12.199 0.621 -13.820 1.00 0.56 O ATOM 1081 CB ASP A 68 13.591 0.133 -11.486 1.00 0.43 C ATOM 1082 CG ASP A 68 14.482 1.164 -12.150 1.00 0.46 C ATOM 1083 OD1 ASP A 68 14.473 2.334 -11.724 1.00 1.13 O ATOM 1084 OD2 ASP A 68 15.196 0.803 -13.112 1.00 1.23 O ATOM 0 H ASP A 68 11.815 -1.388 -10.697 1.00 0.40 H new ATOM 0 HA ASP A 68 12.064 1.456 -10.794 1.00 0.42 H new ATOM 0 HB2 ASP A 68 13.961 -0.060 -10.479 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.662 -0.805 -12.037 1.00 0.43 H new ATOM 1089 N THR A 69 10.332 1.278 -12.782 1.00 0.59 N ATOM 1090 CA THR A 69 9.548 1.435 -13.972 1.00 0.74 C ATOM 1091 C THR A 69 9.879 2.746 -14.662 1.00 0.84 C ATOM 1092 O THR A 69 9.604 2.931 -15.848 1.00 0.99 O ATOM 1093 CB THR A 69 8.056 1.344 -13.604 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.260 1.147 -14.780 1.00 0.90 O ATOM 1095 CG2 THR A 69 7.599 2.602 -12.883 1.00 0.83 C ATOM 0 H THR A 69 9.840 1.544 -11.929 1.00 0.59 H new ATOM 0 HA THR A 69 9.782 0.638 -14.677 1.00 0.74 H new ATOM 0 HB THR A 69 7.927 0.491 -12.938 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.314 1.090 -14.529 1.00 0.90 H new ATOM 0 HG21 THR A 69 6.542 2.514 -12.633 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.179 2.728 -11.969 1.00 0.83 H new ATOM 0 HG23 THR A 69 7.749 3.467 -13.530 1.00 0.83 H new ATOM 1103 N ASN A 70 10.491 3.648 -13.913 1.00 0.80 N ATOM 1104 CA ASN A 70 10.989 4.885 -14.483 1.00 0.94 C ATOM 1105 C ASN A 70 12.407 4.665 -14.989 1.00 0.86 C ATOM 1106 O ASN A 70 12.956 5.471 -15.738 1.00 0.97 O ATOM 1107 CB ASN A 70 10.961 5.995 -13.439 1.00 1.01 C ATOM 1108 CG ASN A 70 10.847 7.383 -14.048 1.00 1.25 C ATOM 1109 OD1 ASN A 70 11.320 7.638 -15.156 1.00 1.46 O ATOM 1110 ND2 ASN A 70 10.211 8.292 -13.327 1.00 1.66 N ATOM 0 H ASN A 70 10.654 3.546 -12.911 1.00 0.80 H new ATOM 0 HA ASN A 70 10.353 5.186 -15.315 1.00 0.94 H new ATOM 0 HB2 ASN A 70 10.121 5.830 -12.765 1.00 1.01 H new ATOM 0 HB3 ASN A 70 11.868 5.942 -12.837 1.00 1.01 H new ATOM 0 HD21 ASN A 70 10.099 9.240 -13.685 1.00 1.66 H new ATOM 0 HD22 ASN A 70 9.832 8.044 -12.413 1.00 1.66 H new ATOM 1117 N SER A 71 12.976 3.537 -14.562 1.00 0.70 N ATOM 1118 CA SER A 71 14.270 3.067 -15.031 1.00 0.66 C ATOM 1119 C SER A 71 15.393 4.005 -14.611 1.00 0.61 C ATOM 1120 O SER A 71 16.282 4.329 -15.400 1.00 0.65 O ATOM 1121 CB SER A 71 14.249 2.884 -16.548 1.00 0.82 C ATOM 1122 OG SER A 71 13.187 2.022 -16.933 1.00 1.47 O ATOM 0 H SER A 71 12.543 2.921 -13.874 1.00 0.70 H new ATOM 0 HA SER A 71 14.465 2.101 -14.566 1.00 0.66 H new ATOM 0 HB2 SER A 71 14.133 3.852 -17.035 1.00 0.82 H new ATOM 0 HB3 SER A 71 15.200 2.470 -16.883 1.00 0.82 H new ATOM 0 HG SER A 71 13.187 1.917 -17.907 1.00 1.47 H new ATOM 1128 N ASP A 72 15.360 4.423 -13.357 1.00 0.58 N ATOM 1129 CA ASP A 72 16.392 5.291 -12.821 1.00 0.65 C ATOM 1130 C ASP A 72 17.380 4.464 -12.011 1.00 0.56 C ATOM 1131 O ASP A 72 18.513 4.882 -11.774 1.00 0.66 O ATOM 1132 CB ASP A 72 15.771 6.384 -11.948 1.00 0.80 C ATOM 1133 CG ASP A 72 16.793 7.395 -11.469 1.00 0.93 C ATOM 1134 OD1 ASP A 72 17.103 8.339 -12.227 1.00 1.56 O ATOM 1135 OD2 ASP A 72 17.290 7.258 -10.336 1.00 1.53 O ATOM 0 H ASP A 72 14.628 4.174 -12.691 1.00 0.58 H new ATOM 0 HA ASP A 72 16.918 5.772 -13.646 1.00 0.65 H new ATOM 0 HB2 ASP A 72 14.994 6.898 -12.513 1.00 0.80 H new ATOM 0 HB3 ASP A 72 15.287 5.925 -11.086 1.00 0.80 H new ATOM 1140 N GLY A 73 16.953 3.271 -11.623 1.00 0.45 N ATOM 1141 CA GLY A 73 17.816 2.381 -10.871 1.00 0.46 C ATOM 1142 C GLY A 73 17.477 2.386 -9.403 1.00 0.41 C ATOM 1143 O GLY A 73 18.192 1.812 -8.578 1.00 0.44 O ATOM 0 H GLY A 73 16.022 2.902 -11.816 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.724 1.368 -11.262 1.00 0.46 H new ATOM 0 HA3 GLY A 73 18.855 2.682 -11.006 1.00 0.46 H new ATOM 1147 N GLN A 74 16.380 3.038 -9.087 1.00 0.38 N ATOM 1148 CA GLN A 74 15.897 3.141 -7.730 1.00 0.37 C ATOM 1149 C GLN A 74 14.392 3.011 -7.754 1.00 0.36 C ATOM 1150 O GLN A 74 13.794 2.952 -8.826 1.00 0.39 O ATOM 1151 CB GLN A 74 16.267 4.487 -7.119 1.00 0.38 C ATOM 1152 CG GLN A 74 17.744 4.826 -7.191 1.00 0.42 C ATOM 1153 CD GLN A 74 18.121 6.040 -6.360 1.00 0.50 C ATOM 1154 OE1 GLN A 74 17.505 6.325 -5.337 1.00 1.03 O ATOM 1155 NE2 GLN A 74 19.138 6.760 -6.795 1.00 1.25 N ATOM 0 H GLN A 74 15.794 3.515 -9.772 1.00 0.38 H new ATOM 0 HA GLN A 74 16.351 2.354 -7.128 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.702 5.269 -7.626 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.956 4.495 -6.074 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.324 3.968 -6.852 1.00 0.42 H new ATOM 0 HG3 GLN A 74 18.019 5.006 -8.230 1.00 0.42 H new ATOM 0 HE21 GLN A 74 19.625 6.491 -7.650 1.00 1.25 H new ATOM 0 HE22 GLN A 74 19.437 7.586 -6.276 1.00 1.25 H new ATOM 1164 N LEU A 75 13.779 2.980 -6.591 1.00 0.33 N ATOM 1165 CA LEU A 75 12.333 2.920 -6.521 1.00 0.32 C ATOM 1166 C LEU A 75 11.781 4.148 -5.853 1.00 0.32 C ATOM 1167 O LEU A 75 12.047 4.414 -4.679 1.00 0.32 O ATOM 1168 CB LEU A 75 11.866 1.683 -5.776 1.00 0.31 C ATOM 1169 CG LEU A 75 12.401 0.380 -6.344 1.00 0.33 C ATOM 1170 CD1 LEU A 75 11.759 -0.795 -5.646 1.00 0.35 C ATOM 1171 CD2 LEU A 75 12.153 0.325 -7.843 1.00 0.35 C ATOM 0 H LEU A 75 14.253 2.995 -5.688 1.00 0.33 H new ATOM 0 HA LEU A 75 11.960 2.870 -7.544 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.170 1.764 -4.732 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.776 1.653 -5.790 1.00 0.31 H new ATOM 0 HG LEU A 75 13.476 0.330 -6.173 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.150 -1.723 -6.062 1.00 0.35 H new ATOM 0 HD12 LEU A 75 11.983 -0.752 -4.580 1.00 0.35 H new ATOM 0 HD13 LEU A 75 10.679 -0.759 -5.792 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.540 -0.613 -8.242 1.00 0.35 H new ATOM 0 HD22 LEU A 75 11.082 0.388 -8.037 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.659 1.161 -8.326 1.00 0.35 H new ATOM 1183 N ASP A 76 11.032 4.904 -6.615 1.00 0.35 N ATOM 1184 CA ASP A 76 10.361 6.070 -6.091 1.00 0.36 C ATOM 1185 C ASP A 76 9.119 5.608 -5.351 1.00 0.33 C ATOM 1186 O ASP A 76 8.793 4.428 -5.400 1.00 0.32 O ATOM 1187 CB ASP A 76 10.071 7.061 -7.230 1.00 0.44 C ATOM 1188 CG ASP A 76 8.651 7.017 -7.795 1.00 0.91 C ATOM 1189 OD1 ASP A 76 7.695 7.431 -7.099 1.00 1.45 O ATOM 1190 OD2 ASP A 76 8.491 6.629 -8.965 1.00 1.68 O ATOM 0 H ASP A 76 10.870 4.732 -7.607 1.00 0.35 H new ATOM 0 HA ASP A 76 10.987 6.609 -5.380 1.00 0.36 H new ATOM 0 HB2 ASP A 76 10.269 8.070 -6.869 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.773 6.870 -8.042 1.00 0.44 H new ATOM 1195 N PHE A 77 8.446 6.505 -4.653 1.00 0.41 N ATOM 1196 CA PHE A 77 7.356 6.108 -3.767 1.00 0.49 C ATOM 1197 C PHE A 77 6.311 5.267 -4.497 1.00 0.39 C ATOM 1198 O PHE A 77 5.874 4.242 -3.989 1.00 0.39 O ATOM 1199 CB PHE A 77 6.702 7.332 -3.148 1.00 0.72 C ATOM 1200 CG PHE A 77 5.974 7.025 -1.872 1.00 1.76 C ATOM 1201 CD1 PHE A 77 6.640 6.449 -0.804 1.00 2.66 C ATOM 1202 CD2 PHE A 77 4.630 7.314 -1.740 1.00 2.56 C ATOM 1203 CE1 PHE A 77 5.977 6.166 0.373 1.00 3.77 C ATOM 1204 CE2 PHE A 77 3.964 7.034 -0.565 1.00 3.67 C ATOM 1205 CZ PHE A 77 4.637 6.459 0.493 1.00 4.15 C ATOM 0 H PHE A 77 8.630 7.508 -4.679 1.00 0.41 H new ATOM 0 HA PHE A 77 7.785 5.493 -2.976 1.00 0.49 H new ATOM 0 HB2 PHE A 77 7.465 8.085 -2.952 1.00 0.72 H new ATOM 0 HB3 PHE A 77 6.003 7.765 -3.864 1.00 0.72 H new ATOM 0 HD1 PHE A 77 7.691 6.218 -0.893 1.00 2.66 H new ATOM 0 HD2 PHE A 77 4.096 7.763 -2.564 1.00 2.56 H new ATOM 0 HE1 PHE A 77 6.508 5.716 1.198 1.00 3.77 H new ATOM 0 HE2 PHE A 77 2.913 7.265 -0.473 1.00 3.67 H new ATOM 0 HZ PHE A 77 4.115 6.239 1.412 1.00 4.15 H new ATOM 1215 N SER A 78 5.931 5.690 -5.692 1.00 0.39 N ATOM 1216 CA SER A 78 4.962 4.954 -6.495 1.00 0.38 C ATOM 1217 C SER A 78 5.502 3.581 -6.896 1.00 0.38 C ATOM 1218 O SER A 78 4.740 2.626 -7.044 1.00 0.44 O ATOM 1219 CB SER A 78 4.589 5.758 -7.741 1.00 0.45 C ATOM 1220 OG SER A 78 5.724 6.026 -8.547 1.00 1.31 O ATOM 0 H SER A 78 6.279 6.543 -6.131 1.00 0.39 H new ATOM 0 HA SER A 78 4.070 4.801 -5.888 1.00 0.38 H new ATOM 0 HB2 SER A 78 3.850 5.207 -8.323 1.00 0.45 H new ATOM 0 HB3 SER A 78 4.123 6.697 -7.443 1.00 0.45 H new ATOM 0 HG SER A 78 6.327 6.635 -8.071 1.00 1.31 H new ATOM 1226 N GLU A 79 6.815 3.486 -7.049 1.00 0.36 N ATOM 1227 CA GLU A 79 7.460 2.240 -7.451 1.00 0.42 C ATOM 1228 C GLU A 79 7.633 1.336 -6.235 1.00 0.33 C ATOM 1229 O GLU A 79 7.508 0.115 -6.317 1.00 0.33 O ATOM 1230 CB GLU A 79 8.807 2.547 -8.105 1.00 0.51 C ATOM 1231 CG GLU A 79 8.691 3.539 -9.252 1.00 0.64 C ATOM 1232 CD GLU A 79 10.018 3.864 -9.910 1.00 1.81 C ATOM 1233 OE1 GLU A 79 10.912 4.399 -9.225 1.00 2.54 O ATOM 1234 OE2 GLU A 79 10.163 3.611 -11.124 1.00 2.57 O ATOM 0 H GLU A 79 7.460 4.262 -6.900 1.00 0.36 H new ATOM 0 HA GLU A 79 6.837 1.719 -8.178 1.00 0.42 H new ATOM 0 HB2 GLU A 79 9.489 2.945 -7.353 1.00 0.51 H new ATOM 0 HB3 GLU A 79 9.246 1.620 -8.475 1.00 0.51 H new ATOM 0 HG2 GLU A 79 8.012 3.136 -10.003 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.244 4.461 -8.880 1.00 0.64 H new ATOM 1241 N PHE A 80 7.903 1.966 -5.105 1.00 0.28 N ATOM 1242 CA PHE A 80 7.959 1.291 -3.819 1.00 0.25 C ATOM 1243 C PHE A 80 6.581 0.761 -3.446 1.00 0.23 C ATOM 1244 O PHE A 80 6.439 -0.348 -2.945 1.00 0.26 O ATOM 1245 CB PHE A 80 8.446 2.278 -2.761 1.00 0.31 C ATOM 1246 CG PHE A 80 8.336 1.770 -1.360 1.00 0.71 C ATOM 1247 CD1 PHE A 80 9.187 0.785 -0.901 1.00 1.26 C ATOM 1248 CD2 PHE A 80 7.376 2.283 -0.503 1.00 1.60 C ATOM 1249 CE1 PHE A 80 9.083 0.317 0.389 1.00 1.56 C ATOM 1250 CE2 PHE A 80 7.268 1.818 0.789 1.00 1.98 C ATOM 1251 CZ PHE A 80 8.123 0.833 1.235 1.00 1.64 C ATOM 0 H PHE A 80 8.091 2.967 -5.053 1.00 0.28 H new ATOM 0 HA PHE A 80 8.648 0.449 -3.878 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.487 2.529 -2.965 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.872 3.201 -2.848 1.00 0.31 H new ATOM 0 HD1 PHE A 80 9.940 0.378 -1.559 1.00 1.26 H new ATOM 0 HD2 PHE A 80 6.706 3.055 -0.851 1.00 1.60 H new ATOM 0 HE1 PHE A 80 9.753 -0.454 0.739 1.00 1.56 H new ATOM 0 HE2 PHE A 80 6.516 2.224 1.450 1.00 1.98 H new ATOM 0 HZ PHE A 80 8.041 0.465 2.247 1.00 1.64 H new ATOM 1261 N LEU A 81 5.567 1.567 -3.695 1.00 0.25 N ATOM 1262 CA LEU A 81 4.198 1.164 -3.430 1.00 0.26 C ATOM 1263 C LEU A 81 3.735 0.147 -4.444 1.00 0.26 C ATOM 1264 O LEU A 81 2.862 -0.670 -4.164 1.00 0.27 O ATOM 1265 CB LEU A 81 3.279 2.365 -3.456 1.00 0.29 C ATOM 1266 CG LEU A 81 3.542 3.389 -2.358 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.577 4.545 -2.490 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.447 2.740 -0.976 1.00 0.29 C ATOM 0 H LEU A 81 5.665 2.506 -4.081 1.00 0.25 H new ATOM 0 HA LEU A 81 4.165 0.712 -2.439 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.373 2.857 -4.424 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.249 2.019 -3.373 1.00 0.29 H new ATOM 0 HG LEU A 81 4.556 3.774 -2.469 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.771 5.273 -1.702 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.708 5.019 -3.462 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.555 4.178 -2.401 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.638 3.490 -0.208 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.449 2.325 -0.837 1.00 0.29 H new ATOM 0 HD23 LEU A 81 4.186 1.943 -0.897 1.00 0.29 H new ATOM 1280 N ASN A 82 4.313 0.214 -5.629 1.00 0.26 N ATOM 1281 CA ASN A 82 4.064 -0.789 -6.643 1.00 0.26 C ATOM 1282 C ASN A 82 4.492 -2.139 -6.087 1.00 0.23 C ATOM 1283 O ASN A 82 3.836 -3.160 -6.284 1.00 0.25 O ATOM 1284 CB ASN A 82 4.861 -0.469 -7.914 1.00 0.30 C ATOM 1285 CG ASN A 82 4.276 -1.107 -9.165 1.00 0.79 C ATOM 1286 OD1 ASN A 82 3.668 -2.177 -9.116 1.00 1.51 O ATOM 1287 ND2 ASN A 82 4.459 -0.449 -10.301 1.00 1.42 N ATOM 0 H ASN A 82 4.957 0.953 -5.911 1.00 0.26 H new ATOM 0 HA ASN A 82 3.005 -0.804 -6.901 1.00 0.26 H new ATOM 0 HB2 ASN A 82 4.899 0.612 -8.049 1.00 0.30 H new ATOM 0 HB3 ASN A 82 5.888 -0.810 -7.786 1.00 0.30 H new ATOM 0 HD21 ASN A 82 4.091 -0.827 -11.174 1.00 1.42 H new ATOM 0 HD22 ASN A 82 4.968 0.435 -10.302 1.00 1.42 H new ATOM 1294 N LEU A 83 5.607 -2.110 -5.372 1.00 0.23 N ATOM 1295 CA LEU A 83 6.108 -3.263 -4.645 1.00 0.24 C ATOM 1296 C LEU A 83 5.121 -3.703 -3.579 1.00 0.23 C ATOM 1297 O LEU A 83 4.749 -4.872 -3.515 1.00 0.25 O ATOM 1298 CB LEU A 83 7.425 -2.908 -3.982 1.00 0.27 C ATOM 1299 CG LEU A 83 7.834 -3.833 -2.850 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.309 -5.172 -3.394 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.892 -3.170 -1.993 1.00 0.36 C ATOM 0 H LEU A 83 6.192 -1.280 -5.281 1.00 0.23 H new ATOM 0 HA LEU A 83 6.248 -4.080 -5.352 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.210 -2.912 -4.738 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.360 -1.891 -3.596 1.00 0.27 H new ATOM 0 HG LEU A 83 6.966 -4.029 -2.221 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.597 -5.820 -2.566 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.504 -5.642 -3.959 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.167 -5.015 -4.048 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.178 -3.842 -1.184 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.766 -2.944 -2.604 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.494 -2.246 -1.574 1.00 0.36 H new ATOM 1313 N ILE A 84 4.720 -2.757 -2.734 1.00 0.24 N ATOM 1314 CA ILE A 84 3.753 -3.021 -1.678 1.00 0.26 C ATOM 1315 C ILE A 84 2.496 -3.661 -2.259 1.00 0.27 C ATOM 1316 O ILE A 84 1.878 -4.515 -1.628 1.00 0.29 O ATOM 1317 CB ILE A 84 3.415 -1.726 -0.891 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.351 -1.571 0.312 1.00 0.55 C ATOM 1319 CG2 ILE A 84 1.961 -1.708 -0.427 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.818 -1.506 -0.044 1.00 0.62 C ATOM 0 H ILE A 84 5.054 -1.794 -2.763 1.00 0.24 H new ATOM 0 HA ILE A 84 4.198 -3.723 -0.972 1.00 0.26 H new ATOM 0 HB ILE A 84 3.560 -0.885 -1.570 1.00 0.29 H new ATOM 0 HG12 ILE A 84 4.080 -0.664 0.853 1.00 0.55 H new ATOM 0 HG13 ILE A 84 4.191 -2.408 0.992 1.00 0.55 H new ATOM 0 HG21 ILE A 84 1.765 -0.786 0.120 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.302 -1.764 -1.293 1.00 0.47 H new ATOM 0 HG23 ILE A 84 1.776 -2.562 0.225 1.00 0.47 H new ATOM 0 HD11 ILE A 84 6.409 -1.396 0.866 1.00 0.62 H new ATOM 0 HD12 ILE A 84 6.109 -2.423 -0.557 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.996 -0.652 -0.698 1.00 0.62 H new ATOM 1332 N GLY A 85 2.150 -3.265 -3.477 1.00 0.26 N ATOM 1333 CA GLY A 85 1.065 -3.894 -4.185 1.00 0.29 C ATOM 1334 C GLY A 85 1.318 -5.371 -4.396 1.00 0.29 C ATOM 1335 O GLY A 85 0.513 -6.198 -3.988 1.00 0.33 O ATOM 0 H GLY A 85 2.610 -2.511 -3.987 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.139 -3.759 -3.626 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.929 -3.406 -5.150 1.00 0.29 H new ATOM 1339 N GLY A 86 2.473 -5.706 -4.964 1.00 0.28 N ATOM 1340 CA GLY A 86 2.764 -7.091 -5.294 1.00 0.31 C ATOM 1341 C GLY A 86 2.958 -7.925 -4.049 1.00 0.29 C ATOM 1342 O GLY A 86 2.666 -9.122 -4.028 1.00 0.35 O ATOM 0 H GLY A 86 3.212 -5.044 -5.202 1.00 0.28 H new ATOM 0 HA2 GLY A 86 1.948 -7.504 -5.887 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.662 -7.139 -5.910 1.00 0.31 H new ATOM 1346 N LEU A 87 3.443 -7.270 -3.013 1.00 0.25 N ATOM 1347 CA LEU A 87 3.623 -7.884 -1.711 1.00 0.25 C ATOM 1348 C LEU A 87 2.276 -8.204 -1.099 1.00 0.26 C ATOM 1349 O LEU A 87 1.971 -9.359 -0.789 1.00 0.29 O ATOM 1350 CB LEU A 87 4.358 -6.919 -0.791 1.00 0.25 C ATOM 1351 CG LEU A 87 5.863 -6.802 -0.996 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.384 -5.600 -0.234 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.571 -8.066 -0.529 1.00 0.35 C ATOM 0 H LEU A 87 3.725 -6.291 -3.050 1.00 0.25 H new ATOM 0 HA LEU A 87 4.199 -8.801 -1.832 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.919 -5.929 -0.913 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.176 -7.224 0.240 1.00 0.25 H new ATOM 0 HG LEU A 87 6.065 -6.674 -2.059 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.461 -5.515 -0.380 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.896 -4.697 -0.601 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.170 -5.722 0.828 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.645 -7.960 -0.685 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.372 -8.224 0.531 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.204 -8.920 -1.098 1.00 0.35 H new ATOM 1365 N ALA A 88 1.470 -7.162 -0.946 1.00 0.25 N ATOM 1366 CA ALA A 88 0.156 -7.277 -0.344 1.00 0.27 C ATOM 1367 C ALA A 88 -0.690 -8.267 -1.091 1.00 0.30 C ATOM 1368 O ALA A 88 -1.408 -9.052 -0.497 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.554 -5.946 -0.347 1.00 0.27 C ATOM 0 H ALA A 88 1.712 -6.215 -1.237 1.00 0.25 H new ATOM 0 HA ALA A 88 0.299 -7.616 0.682 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.538 -6.057 0.109 1.00 0.27 H new ATOM 0 HB2 ALA A 88 0.030 -5.221 0.220 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.668 -5.597 -1.373 1.00 0.27 H new ATOM 1375 N MET A 89 -0.606 -8.201 -2.401 1.00 0.29 N ATOM 1376 CA MET A 89 -1.375 -9.071 -3.258 1.00 0.33 C ATOM 1377 C MET A 89 -1.014 -10.526 -3.019 1.00 0.34 C ATOM 1378 O MET A 89 -1.884 -11.389 -2.994 1.00 0.39 O ATOM 1379 CB MET A 89 -1.150 -8.698 -4.714 1.00 0.35 C ATOM 1380 CG MET A 89 -1.817 -7.395 -5.109 1.00 0.42 C ATOM 1381 SD MET A 89 -1.685 -7.064 -6.877 1.00 1.03 S ATOM 1382 CE MET A 89 -2.473 -8.520 -7.565 1.00 1.89 C ATOM 0 H MET A 89 -0.005 -7.545 -2.899 1.00 0.29 H new ATOM 0 HA MET A 89 -2.431 -8.944 -3.020 1.00 0.33 H new ATOM 0 HB2 MET A 89 -0.079 -8.621 -4.901 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.528 -9.499 -5.350 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.869 -7.428 -4.826 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.363 -6.574 -4.554 1.00 0.42 H new ATOM 0 HE1 MET A 89 -2.973 -8.257 -8.497 1.00 1.89 H new ATOM 0 HE2 MET A 89 -1.720 -9.284 -7.760 1.00 1.89 H new ATOM 0 HE3 MET A 89 -3.206 -8.906 -6.857 1.00 1.89 H new ATOM 1392 N ALA A 90 0.267 -10.786 -2.807 1.00 0.34 N ATOM 1393 CA ALA A 90 0.738 -12.137 -2.564 1.00 0.40 C ATOM 1394 C ALA A 90 0.282 -12.618 -1.193 1.00 0.42 C ATOM 1395 O ALA A 90 -0.148 -13.759 -1.029 1.00 0.49 O ATOM 1396 CB ALA A 90 2.250 -12.191 -2.677 1.00 0.46 C ATOM 0 H ALA A 90 0.999 -10.076 -2.799 1.00 0.34 H new ATOM 0 HA ALA A 90 0.312 -12.800 -3.317 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.592 -13.209 -2.493 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.551 -11.882 -3.678 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.694 -11.520 -1.941 1.00 0.46 H new ATOM 1402 N CYS A 91 0.357 -11.726 -0.216 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.041 -12.037 1.150 1.00 0.47 C ATOM 1404 C CYS A 91 -1.558 -12.169 1.253 1.00 0.45 C ATOM 1405 O CYS A 91 -2.071 -12.980 2.017 1.00 0.51 O ATOM 1406 CB CYS A 91 0.472 -10.947 2.094 1.00 0.55 C ATOM 1407 SG CYS A 91 2.260 -10.693 2.006 1.00 1.76 S ATOM 0 H CYS A 91 0.693 -10.772 -0.346 1.00 0.41 H new ATOM 0 HA CYS A 91 0.398 -12.992 1.439 1.00 0.47 H new ATOM 0 HB2 CYS A 91 -0.031 -10.009 1.860 1.00 0.55 H new ATOM 0 HB3 CYS A 91 0.201 -11.207 3.117 1.00 0.55 H new ATOM 0 HG CYS A 91 2.561 -10.111 0.883 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.267 -11.378 0.464 1.00 0.41 N ATOM 1414 CA HIS A 92 -3.719 -11.430 0.418 1.00 0.46 C ATOM 1415 C HIS A 92 -4.155 -12.699 -0.283 1.00 0.45 C ATOM 1416 O HIS A 92 -5.066 -13.384 0.167 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.273 -10.206 -0.315 1.00 0.54 C ATOM 1418 CG HIS A 92 -5.766 -10.102 -0.297 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -6.539 -10.150 -1.434 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -6.626 -9.926 0.732 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -7.808 -10.004 -1.108 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -7.889 -9.868 0.202 1.00 2.62 N ATOM 0 H HIS A 92 -1.854 -10.685 -0.160 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.109 -11.427 1.436 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -3.852 -9.306 0.134 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -3.935 -10.233 -1.351 1.00 0.54 H new ATOM 0 HD2 HIS A 92 -6.366 -9.846 1.777 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -8.640 -9.997 -1.796 1.00 2.74 H new ATOM 0 HE2 HIS A 92 -8.750 -9.741 0.733 1.00 2.62 H new ATOM 1431 N ASP A 93 -3.482 -13.004 -1.381 1.00 0.45 N ATOM 1432 CA ASP A 93 -3.706 -14.244 -2.107 1.00 0.52 C ATOM 1433 C ASP A 93 -3.467 -15.430 -1.177 1.00 0.56 C ATOM 1434 O ASP A 93 -4.176 -16.430 -1.226 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.770 -14.303 -3.318 1.00 0.54 C ATOM 1436 CG ASP A 93 -3.010 -15.512 -4.202 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -4.012 -15.519 -4.952 1.00 1.48 O ATOM 1438 OD2 ASP A 93 -2.185 -16.450 -4.171 1.00 1.75 O ATOM 0 H ASP A 93 -2.768 -12.402 -1.793 1.00 0.45 H new ATOM 0 HA ASP A 93 -4.736 -14.285 -2.462 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -2.896 -13.397 -3.911 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -1.737 -14.315 -2.970 1.00 0.54 H new ATOM 1443 N SER A 94 -2.482 -15.277 -0.300 1.00 0.54 N ATOM 1444 CA SER A 94 -2.174 -16.281 0.708 1.00 0.60 C ATOM 1445 C SER A 94 -3.279 -16.353 1.753 1.00 0.63 C ATOM 1446 O SER A 94 -3.689 -17.435 2.157 1.00 0.70 O ATOM 1447 CB SER A 94 -0.855 -15.942 1.393 1.00 0.65 C ATOM 1448 OG SER A 94 0.215 -15.919 0.460 1.00 1.27 O ATOM 0 H SER A 94 -1.877 -14.456 -0.268 1.00 0.54 H new ATOM 0 HA SER A 94 -2.093 -17.248 0.212 1.00 0.60 H new ATOM 0 HB2 SER A 94 -0.935 -14.972 1.883 1.00 0.65 H new ATOM 0 HB3 SER A 94 -0.647 -16.676 2.172 1.00 0.65 H new ATOM 0 HG SER A 94 0.021 -15.266 -0.244 1.00 1.27 H new ATOM 1454 N PHE A 95 -3.746 -15.186 2.180 1.00 0.60 N ATOM 1455 CA PHE A 95 -4.814 -15.078 3.164 1.00 0.66 C ATOM 1456 C PHE A 95 -6.078 -15.748 2.640 1.00 0.72 C ATOM 1457 O PHE A 95 -6.805 -16.409 3.380 1.00 0.84 O ATOM 1458 CB PHE A 95 -5.079 -13.599 3.468 1.00 0.64 C ATOM 1459 CG PHE A 95 -5.985 -13.355 4.642 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -5.558 -13.634 5.931 1.00 1.30 C ATOM 1461 CD2 PHE A 95 -7.254 -12.832 4.459 1.00 1.80 C ATOM 1462 CE1 PHE A 95 -6.382 -13.399 7.015 1.00 1.76 C ATOM 1463 CE2 PHE A 95 -8.083 -12.596 5.540 1.00 2.35 C ATOM 1464 CZ PHE A 95 -7.646 -12.879 6.819 1.00 2.08 C ATOM 0 H PHE A 95 -3.394 -14.287 1.853 1.00 0.60 H new ATOM 0 HA PHE A 95 -4.513 -15.582 4.082 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -4.126 -13.103 3.652 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -5.516 -13.133 2.585 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -4.570 -14.040 6.090 1.00 1.30 H new ATOM 0 HD2 PHE A 95 -7.600 -12.606 3.461 1.00 1.80 H new ATOM 0 HE1 PHE A 95 -6.038 -13.622 8.014 1.00 1.76 H new ATOM 0 HE2 PHE A 95 -9.072 -12.191 5.384 1.00 2.35 H new ATOM 0 HZ PHE A 95 -8.292 -12.694 7.665 1.00 2.08 H new ATOM 1474 N LEU A 96 -6.314 -15.584 1.345 1.00 0.69 N ATOM 1475 CA LEU A 96 -7.442 -16.209 0.671 1.00 0.81 C ATOM 1476 C LEU A 96 -7.254 -17.721 0.595 1.00 0.90 C ATOM 1477 O LEU A 96 -8.216 -18.485 0.645 1.00 1.09 O ATOM 1478 CB LEU A 96 -7.604 -15.621 -0.735 1.00 0.83 C ATOM 1479 CG LEU A 96 -8.488 -14.371 -0.845 1.00 0.87 C ATOM 1480 CD1 LEU A 96 -9.952 -14.734 -0.684 1.00 1.21 C ATOM 1481 CD2 LEU A 96 -8.099 -13.323 0.187 1.00 1.08 C ATOM 0 H LEU A 96 -5.729 -15.014 0.734 1.00 0.69 H new ATOM 0 HA LEU A 96 -8.346 -16.006 1.246 1.00 0.81 H new ATOM 0 HB2 LEU A 96 -6.614 -15.377 -1.121 1.00 0.83 H new ATOM 0 HB3 LEU A 96 -8.018 -16.393 -1.384 1.00 0.83 H new ATOM 0 HG LEU A 96 -8.333 -13.948 -1.838 1.00 0.87 H new ATOM 0 HD11 LEU A 96 -10.561 -13.834 -0.765 1.00 1.21 H new ATOM 0 HD12 LEU A 96 -10.240 -15.439 -1.464 1.00 1.21 H new ATOM 0 HD13 LEU A 96 -10.108 -15.191 0.293 1.00 1.21 H new ATOM 0 HD21 LEU A 96 -8.745 -12.451 0.081 1.00 1.08 H new ATOM 0 HD22 LEU A 96 -8.212 -13.739 1.188 1.00 1.08 H new ATOM 0 HD23 LEU A 96 -7.061 -13.027 0.032 1.00 1.08 H new ATOM 1493 N LYS A 97 -6.003 -18.142 0.493 1.00 0.83 N ATOM 1494 CA LYS A 97 -5.664 -19.557 0.461 1.00 0.93 C ATOM 1495 C LYS A 97 -5.415 -20.082 1.871 1.00 0.97 C ATOM 1496 O LYS A 97 -4.916 -21.191 2.054 1.00 1.12 O ATOM 1497 CB LYS A 97 -4.426 -19.782 -0.406 1.00 0.93 C ATOM 1498 CG LYS A 97 -4.638 -19.430 -1.869 1.00 0.99 C ATOM 1499 CD LYS A 97 -3.354 -19.564 -2.673 1.00 1.25 C ATOM 1500 CE LYS A 97 -2.219 -18.770 -2.049 1.00 2.06 C ATOM 1501 NZ LYS A 97 -1.071 -18.614 -2.980 1.00 2.65 N ATOM 0 H LYS A 97 -5.199 -17.518 0.430 1.00 0.83 H new ATOM 0 HA LYS A 97 -6.504 -20.102 0.031 1.00 0.93 H new ATOM 0 HB2 LYS A 97 -3.603 -19.185 -0.012 1.00 0.93 H new ATOM 0 HB3 LYS A 97 -4.125 -20.827 -0.332 1.00 0.93 H new ATOM 0 HG2 LYS A 97 -5.402 -20.082 -2.293 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -5.011 -18.409 -1.947 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -3.072 -20.615 -2.737 1.00 1.25 H new ATOM 0 HD3 LYS A 97 -3.524 -19.217 -3.692 1.00 1.25 H new ATOM 0 HE2 LYS A 97 -2.584 -17.786 -1.755 1.00 2.06 H new ATOM 0 HE3 LYS A 97 -1.884 -19.270 -1.140 1.00 2.06 H new ATOM 0 HZ1 LYS A 97 -0.225 -18.332 -2.444 1.00 2.65 H new ATOM 0 HZ2 LYS A 97 -0.890 -19.518 -3.462 1.00 2.65 H new ATOM 0 HZ3 LYS A 97 -1.293 -17.883 -3.686 1.00 2.65 H new ATOM 1515 N ALA A 98 -5.755 -19.272 2.863 1.00 0.99 N ATOM 1516 CA ALA A 98 -5.567 -19.646 4.254 1.00 1.06 C ATOM 1517 C ALA A 98 -6.893 -19.622 5.000 1.00 1.09 C ATOM 1518 O ALA A 98 -7.458 -20.668 5.323 1.00 1.23 O ATOM 1519 CB ALA A 98 -4.560 -18.719 4.924 1.00 1.00 C ATOM 0 H ALA A 98 -6.164 -18.348 2.728 1.00 0.99 H new ATOM 0 HA ALA A 98 -5.175 -20.663 4.286 1.00 1.06 H new ATOM 0 HB1 ALA A 98 -4.431 -19.014 5.966 1.00 1.00 H new ATOM 0 HB2 ALA A 98 -3.603 -18.787 4.407 1.00 1.00 H new ATOM 0 HB3 ALA A 98 -4.925 -17.693 4.880 1.00 1.00 H new ATOM 1525 N VAL A 99 -7.396 -18.421 5.243 1.00 1.00 N ATOM 1526 CA VAL A 99 -8.653 -18.235 5.949 1.00 1.06 C ATOM 1527 C VAL A 99 -9.098 -16.768 5.866 1.00 1.00 C ATOM 1528 O VAL A 99 -8.861 -15.957 6.763 1.00 1.01 O ATOM 1529 CB VAL A 99 -8.569 -18.713 7.421 1.00 1.16 C ATOM 1530 CG1 VAL A 99 -7.429 -18.033 8.163 1.00 1.13 C ATOM 1531 CG2 VAL A 99 -9.897 -18.494 8.130 1.00 1.24 C ATOM 0 H VAL A 99 -6.946 -17.551 4.957 1.00 1.00 H new ATOM 0 HA VAL A 99 -9.404 -18.855 5.459 1.00 1.06 H new ATOM 0 HB VAL A 99 -8.358 -19.782 7.416 1.00 1.16 H new ATOM 0 HG11 VAL A 99 -7.399 -18.392 9.192 1.00 1.13 H new ATOM 0 HG12 VAL A 99 -6.485 -18.265 7.671 1.00 1.13 H new ATOM 0 HG13 VAL A 99 -7.585 -16.954 8.159 1.00 1.13 H new ATOM 0 HG21 VAL A 99 -9.819 -18.835 9.162 1.00 1.24 H new ATOM 0 HG22 VAL A 99 -10.146 -17.433 8.117 1.00 1.24 H new ATOM 0 HG23 VAL A 99 -10.679 -19.057 7.620 1.00 1.24 H new ATOM 1541 N PRO A 100 -9.746 -16.413 4.759 1.00 1.00 N ATOM 1542 CA PRO A 100 -10.175 -15.049 4.490 1.00 1.02 C ATOM 1543 C PRO A 100 -11.562 -14.766 5.040 1.00 1.28 C ATOM 1544 O PRO A 100 -12.069 -13.648 4.943 1.00 1.60 O ATOM 1545 CB PRO A 100 -10.161 -15.007 2.967 1.00 1.04 C ATOM 1546 CG PRO A 100 -10.540 -16.395 2.551 1.00 1.03 C ATOM 1547 CD PRO A 100 -10.111 -17.321 3.666 1.00 1.06 C ATOM 0 HA PRO A 100 -9.542 -14.297 4.960 1.00 1.02 H new ATOM 0 HB2 PRO A 100 -10.867 -14.271 2.584 1.00 1.04 H new ATOM 0 HB3 PRO A 100 -9.177 -14.733 2.586 1.00 1.04 H new ATOM 0 HG2 PRO A 100 -11.614 -16.467 2.381 1.00 1.03 H new ATOM 0 HG3 PRO A 100 -10.050 -16.665 1.615 1.00 1.03 H new ATOM 0 HD2 PRO A 100 -10.917 -17.994 3.958 1.00 1.06 H new ATOM 0 HD3 PRO A 100 -9.268 -17.944 3.366 1.00 1.06 H new ATOM 1555 N SER A 101 -12.161 -15.785 5.631 1.00 1.57 N ATOM 1556 CA SER A 101 -13.457 -15.649 6.264 1.00 1.88 C ATOM 1557 C SER A 101 -13.286 -15.166 7.699 1.00 1.62 C ATOM 1558 O SER A 101 -13.753 -15.803 8.639 1.00 1.94 O ATOM 1559 CB SER A 101 -14.196 -16.987 6.231 1.00 2.76 C ATOM 1560 OG SER A 101 -14.375 -17.439 4.896 1.00 3.39 O ATOM 0 H SER A 101 -11.764 -16.723 5.685 1.00 1.57 H new ATOM 0 HA SER A 101 -14.048 -14.913 5.719 1.00 1.88 H new ATOM 0 HB2 SER A 101 -13.635 -17.730 6.798 1.00 2.76 H new ATOM 0 HB3 SER A 101 -15.166 -16.882 6.716 1.00 2.76 H new ATOM 0 HG SER A 101 -15.101 -16.933 4.474 1.00 3.39 H new ATOM 1566 N GLN A 102 -12.586 -14.050 7.862 1.00 1.61 N ATOM 1567 CA GLN A 102 -12.381 -13.473 9.182 1.00 2.12 C ATOM 1568 C GLN A 102 -13.710 -13.027 9.788 1.00 2.74 C ATOM 1569 O GLN A 102 -14.516 -12.373 9.123 1.00 3.39 O ATOM 1570 CB GLN A 102 -11.402 -12.293 9.121 1.00 2.47 C ATOM 1571 CG GLN A 102 -11.773 -11.227 8.104 1.00 3.02 C ATOM 1572 CD GLN A 102 -10.919 -9.980 8.239 1.00 3.87 C ATOM 1573 OE1 GLN A 102 -11.277 -9.045 8.956 1.00 4.45 O ATOM 1574 NE2 GLN A 102 -9.779 -9.964 7.567 1.00 4.44 N ATOM 0 H GLN A 102 -12.153 -13.529 7.099 1.00 1.61 H new ATOM 0 HA GLN A 102 -11.948 -14.244 9.820 1.00 2.12 H new ATOM 0 HB2 GLN A 102 -11.343 -11.833 10.107 1.00 2.47 H new ATOM 0 HB3 GLN A 102 -10.407 -12.672 8.886 1.00 2.47 H new ATOM 0 HG2 GLN A 102 -11.663 -11.633 7.099 1.00 3.02 H new ATOM 0 HG3 GLN A 102 -12.823 -10.961 8.227 1.00 3.02 H new ATOM 0 HE21 GLN A 102 -9.520 -10.760 6.984 1.00 4.44 H new ATOM 0 HE22 GLN A 102 -9.160 -9.156 7.632 1.00 4.44 H new ATOM 1583 N LYS A 103 -13.933 -13.420 11.041 1.00 3.15 N ATOM 1584 CA LYS A 103 -15.141 -13.057 11.781 1.00 4.06 C ATOM 1585 C LYS A 103 -16.393 -13.601 11.094 1.00 4.57 C ATOM 1586 O LYS A 103 -17.402 -12.906 10.969 1.00 5.24 O ATOM 1587 CB LYS A 103 -15.242 -11.535 11.945 1.00 4.73 C ATOM 1588 CG LYS A 103 -14.087 -10.918 12.721 1.00 5.30 C ATOM 1589 CD LYS A 103 -14.007 -11.464 14.138 1.00 6.25 C ATOM 1590 CE LYS A 103 -12.917 -10.775 14.940 1.00 6.82 C ATOM 1591 NZ LYS A 103 -12.841 -11.296 16.330 1.00 7.43 N ATOM 0 H LYS A 103 -13.282 -13.999 11.572 1.00 3.15 H new ATOM 0 HA LYS A 103 -15.072 -13.509 12.770 1.00 4.06 H new ATOM 0 HB2 LYS A 103 -15.289 -11.076 10.958 1.00 4.73 H new ATOM 0 HB3 LYS A 103 -16.176 -11.296 12.453 1.00 4.73 H new ATOM 0 HG2 LYS A 103 -13.151 -11.118 12.200 1.00 5.30 H new ATOM 0 HG3 LYS A 103 -14.208 -9.835 12.754 1.00 5.30 H new ATOM 0 HD2 LYS A 103 -14.967 -11.328 14.636 1.00 6.25 H new ATOM 0 HD3 LYS A 103 -13.813 -12.536 14.105 1.00 6.25 H new ATOM 0 HE2 LYS A 103 -11.956 -10.918 14.445 1.00 6.82 H new ATOM 0 HE3 LYS A 103 -13.107 -9.702 14.964 1.00 6.82 H new ATOM 0 HZ1 LYS A 103 -12.085 -10.801 16.845 1.00 7.43 H new ATOM 0 HZ2 LYS A 103 -13.750 -11.137 16.811 1.00 7.43 H new ATOM 0 HZ3 LYS A 103 -12.635 -12.315 16.308 1.00 7.43 H new ATOM 1605 N ARG A 104 -16.325 -14.852 10.656 1.00 4.68 N ATOM 1606 CA ARG A 104 -17.450 -15.478 9.970 1.00 5.53 C ATOM 1607 C ARG A 104 -18.458 -16.052 10.960 1.00 5.66 C ATOM 1608 O ARG A 104 -19.553 -16.455 10.575 1.00 5.96 O ATOM 1609 CB ARG A 104 -16.964 -16.563 8.993 1.00 6.11 C ATOM 1610 CG ARG A 104 -15.997 -17.583 9.591 1.00 6.81 C ATOM 1611 CD ARG A 104 -16.699 -18.614 10.458 1.00 7.63 C ATOM 1612 NE ARG A 104 -17.622 -19.447 9.692 1.00 8.13 N ATOM 1613 CZ ARG A 104 -18.584 -20.190 10.237 1.00 8.95 C ATOM 1614 NH1 ARG A 104 -18.780 -20.174 11.552 1.00 9.34 N ATOM 1615 NH2 ARG A 104 -19.359 -20.942 9.466 1.00 9.59 N ATOM 0 H ARG A 104 -15.507 -15.452 10.763 1.00 4.68 H new ATOM 0 HA ARG A 104 -17.956 -14.703 9.394 1.00 5.53 H new ATOM 0 HB2 ARG A 104 -17.832 -17.094 8.602 1.00 6.11 H new ATOM 0 HB3 ARG A 104 -16.479 -16.077 8.146 1.00 6.11 H new ATOM 0 HG2 ARG A 104 -15.467 -18.091 8.786 1.00 6.81 H new ATOM 0 HG3 ARG A 104 -15.248 -17.062 10.187 1.00 6.81 H new ATOM 0 HD2 ARG A 104 -15.954 -19.248 10.939 1.00 7.63 H new ATOM 0 HD3 ARG A 104 -17.246 -18.106 11.252 1.00 7.63 H new ATOM 0 HE ARG A 104 -17.524 -19.461 8.677 1.00 8.13 H new ATOM 0 HH11 ARG A 104 -18.192 -19.591 12.148 1.00 9.34 H new ATOM 0 HH12 ARG A 104 -19.518 -20.745 11.965 1.00 9.34 H new ATOM 0 HH21 ARG A 104 -19.218 -20.951 8.456 1.00 9.59 H new ATOM 0 HH22 ARG A 104 -20.096 -21.511 9.884 1.00 9.59 H new ATOM 1629 N THR A 105 -18.080 -16.095 12.229 1.00 5.79 N ATOM 1630 CA THR A 105 -18.964 -16.602 13.263 1.00 6.20 C ATOM 1631 C THR A 105 -19.568 -15.444 14.053 1.00 6.46 C ATOM 1632 O THR A 105 -18.880 -14.898 14.942 1.00 6.80 O ATOM 1633 CB THR A 105 -18.219 -17.556 14.218 1.00 6.59 C ATOM 1634 OG1 THR A 105 -17.464 -18.512 13.459 1.00 6.66 O ATOM 1635 CG2 THR A 105 -19.193 -18.291 15.126 1.00 7.00 C ATOM 1636 OXT THR A 105 -20.724 -15.069 13.766 1.00 6.62 O ATOM 0 H THR A 105 -17.168 -15.785 12.565 1.00 5.79 H new ATOM 0 HA THR A 105 -19.762 -17.163 12.776 1.00 6.20 H new ATOM 0 HB THR A 105 -17.548 -16.960 14.837 1.00 6.59 H new ATOM 0 HG1 THR A 105 -16.991 -19.115 14.070 1.00 6.66 H new ATOM 0 HG21 THR A 105 -18.641 -18.957 15.789 1.00 7.00 H new ATOM 0 HG22 THR A 105 -19.752 -17.569 15.721 1.00 7.00 H new ATOM 0 HG23 THR A 105 -19.885 -18.875 14.520 1.00 7.00 H new TER 1644 THR A 105 ATOM 1645 N MET B 1 18.641 -17.685 12.080 1.00 7.64 N ATOM 1646 CA MET B 1 19.025 -16.611 13.026 1.00 7.05 C ATOM 1647 C MET B 1 17.794 -16.043 13.720 1.00 6.85 C ATOM 1648 O MET B 1 17.257 -15.016 13.300 1.00 7.13 O ATOM 1649 CB MET B 1 19.784 -15.491 12.300 1.00 7.11 C ATOM 1650 CG MET B 1 21.197 -15.870 11.876 1.00 7.39 C ATOM 1651 SD MET B 1 21.245 -17.182 10.635 1.00 7.66 S ATOM 1652 CE MET B 1 20.514 -16.350 9.226 1.00 7.91 C ATOM 0 H1 MET B 1 19.442 -17.896 11.451 1.00 7.64 H new ATOM 0 H2 MET B 1 18.384 -18.541 12.612 1.00 7.64 H new ATOM 0 H3 MET B 1 17.827 -17.373 11.512 1.00 7.64 H new ATOM 0 HA MET B 1 19.683 -17.045 13.779 1.00 7.05 H new ATOM 0 HB2 MET B 1 19.218 -15.197 11.416 1.00 7.11 H new ATOM 0 HB3 MET B 1 19.834 -14.619 12.952 1.00 7.11 H new ATOM 0 HG2 MET B 1 21.699 -14.987 11.480 1.00 7.39 H new ATOM 0 HG3 MET B 1 21.759 -16.189 12.754 1.00 7.39 H new ATOM 0 HE1 MET B 1 20.728 -16.915 8.319 1.00 7.91 H new ATOM 0 HE2 MET B 1 19.435 -16.280 9.364 1.00 7.91 H new ATOM 0 HE3 MET B 1 20.934 -15.348 9.137 1.00 7.91 H new ATOM 1664 N ALA B 2 17.346 -16.736 14.770 1.00 6.68 N ATOM 1665 CA ALA B 2 16.196 -16.312 15.568 1.00 6.74 C ATOM 1666 C ALA B 2 14.941 -16.156 14.711 1.00 6.15 C ATOM 1667 O ALA B 2 14.565 -15.045 14.329 1.00 6.28 O ATOM 1668 CB ALA B 2 16.505 -15.019 16.312 1.00 7.32 C ATOM 0 H ALA B 2 17.771 -17.606 15.090 1.00 6.68 H new ATOM 0 HA ALA B 2 15.997 -17.095 16.300 1.00 6.74 H new ATOM 0 HB1 ALA B 2 15.637 -14.721 16.900 1.00 7.32 H new ATOM 0 HB2 ALA B 2 17.356 -15.175 16.975 1.00 7.32 H new ATOM 0 HB3 ALA B 2 16.744 -14.234 15.594 1.00 7.32 H new ATOM 1674 N LYS B 3 14.302 -17.277 14.408 1.00 5.79 N ATOM 1675 CA LYS B 3 13.083 -17.272 13.608 1.00 5.53 C ATOM 1676 C LYS B 3 11.915 -16.708 14.410 1.00 5.00 C ATOM 1677 O LYS B 3 11.661 -17.134 15.538 1.00 5.14 O ATOM 1678 CB LYS B 3 12.753 -18.688 13.119 1.00 6.01 C ATOM 1679 CG LYS B 3 12.661 -19.721 14.234 1.00 6.28 C ATOM 1680 CD LYS B 3 12.282 -21.095 13.703 1.00 6.97 C ATOM 1681 CE LYS B 3 10.875 -21.109 13.128 1.00 7.46 C ATOM 1682 NZ LYS B 3 10.479 -22.462 12.655 1.00 7.93 N ATOM 0 H LYS B 3 14.607 -18.204 14.704 1.00 5.79 H new ATOM 0 HA LYS B 3 13.249 -16.633 12.741 1.00 5.53 H new ATOM 0 HB2 LYS B 3 11.806 -18.664 12.580 1.00 6.01 H new ATOM 0 HB3 LYS B 3 13.516 -19.003 12.407 1.00 6.01 H new ATOM 0 HG2 LYS B 3 13.618 -19.783 14.752 1.00 6.28 H new ATOM 0 HG3 LYS B 3 11.922 -19.399 14.968 1.00 6.28 H new ATOM 0 HD2 LYS B 3 12.992 -21.396 12.933 1.00 6.97 H new ATOM 0 HD3 LYS B 3 12.354 -21.828 14.507 1.00 6.97 H new ATOM 0 HE2 LYS B 3 10.170 -20.770 13.887 1.00 7.46 H new ATOM 0 HE3 LYS B 3 10.815 -20.404 12.299 1.00 7.46 H new ATOM 0 HZ1 LYS B 3 9.513 -22.427 12.271 1.00 7.93 H new ATOM 0 HZ2 LYS B 3 11.136 -22.776 11.912 1.00 7.93 H new ATOM 0 HZ3 LYS B 3 10.511 -23.131 13.451 1.00 7.93 H new ATOM 1696 N ILE B 4 11.220 -15.740 13.835 1.00 4.75 N ATOM 1697 CA ILE B 4 10.067 -15.135 14.488 1.00 4.41 C ATOM 1698 C ILE B 4 8.943 -14.931 13.482 1.00 3.66 C ATOM 1699 O ILE B 4 9.162 -15.007 12.274 1.00 3.91 O ATOM 1700 CB ILE B 4 10.389 -13.770 15.160 1.00 5.15 C ATOM 1701 CG1 ILE B 4 10.764 -12.693 14.125 1.00 5.78 C ATOM 1702 CG2 ILE B 4 11.495 -13.924 16.197 1.00 5.59 C ATOM 1703 CD1 ILE B 4 12.160 -12.825 13.546 1.00 6.54 C ATOM 0 H ILE B 4 11.434 -15.355 12.915 1.00 4.75 H new ATOM 0 HA ILE B 4 9.765 -15.827 15.274 1.00 4.41 H new ATOM 0 HB ILE B 4 9.482 -13.437 15.664 1.00 5.15 H new ATOM 0 HG12 ILE B 4 10.043 -12.727 13.309 1.00 5.78 H new ATOM 0 HG13 ILE B 4 10.671 -11.712 14.592 1.00 5.78 H new ATOM 0 HG21 ILE B 4 11.703 -12.956 16.654 1.00 5.59 H new ATOM 0 HG22 ILE B 4 11.177 -14.627 16.966 1.00 5.59 H new ATOM 0 HG23 ILE B 4 12.397 -14.299 15.714 1.00 5.59 H new ATOM 0 HD11 ILE B 4 12.333 -12.024 12.828 1.00 6.54 H new ATOM 0 HD12 ILE B 4 12.895 -12.758 14.349 1.00 6.54 H new ATOM 0 HD13 ILE B 4 12.257 -13.788 13.045 1.00 6.54 H new ATOM 1715 N SER B 5 7.748 -14.679 13.980 1.00 3.24 N ATOM 1716 CA SER B 5 6.606 -14.409 13.125 1.00 2.93 C ATOM 1717 C SER B 5 6.081 -13.003 13.387 1.00 2.01 C ATOM 1718 O SER B 5 4.911 -12.806 13.714 1.00 2.25 O ATOM 1719 CB SER B 5 5.516 -15.459 13.360 1.00 3.70 C ATOM 1720 OG SER B 5 5.296 -15.666 14.749 1.00 4.46 O ATOM 0 H SER B 5 7.541 -14.655 14.979 1.00 3.24 H new ATOM 0 HA SER B 5 6.914 -14.468 12.081 1.00 2.93 H new ATOM 0 HB2 SER B 5 4.589 -15.138 12.886 1.00 3.70 H new ATOM 0 HB3 SER B 5 5.805 -16.399 12.890 1.00 3.70 H new ATOM 0 HG SER B 5 4.595 -16.339 14.872 1.00 4.46 H new ATOM 1726 N SER B 6 6.969 -12.029 13.262 1.00 1.51 N ATOM 1727 CA SER B 6 6.622 -10.641 13.501 1.00 1.03 C ATOM 1728 C SER B 6 6.792 -9.837 12.220 1.00 0.82 C ATOM 1729 O SER B 6 7.854 -9.869 11.596 1.00 0.86 O ATOM 1730 CB SER B 6 7.504 -10.061 14.613 1.00 1.67 C ATOM 1731 OG SER B 6 7.109 -8.740 14.952 1.00 2.25 O ATOM 0 H SER B 6 7.942 -12.178 12.994 1.00 1.51 H new ATOM 0 HA SER B 6 5.580 -10.584 13.817 1.00 1.03 H new ATOM 0 HB2 SER B 6 7.445 -10.698 15.496 1.00 1.67 H new ATOM 0 HB3 SER B 6 8.545 -10.059 14.290 1.00 1.67 H new ATOM 0 HG SER B 6 7.688 -8.398 15.664 1.00 2.25 H new ATOM 1737 N PRO B 7 5.747 -9.112 11.807 1.00 0.70 N ATOM 1738 CA PRO B 7 5.786 -8.287 10.603 1.00 0.54 C ATOM 1739 C PRO B 7 6.471 -6.957 10.865 1.00 0.45 C ATOM 1740 O PRO B 7 6.539 -6.495 12.007 1.00 0.57 O ATOM 1741 CB PRO B 7 4.307 -8.067 10.313 1.00 0.62 C ATOM 1742 CG PRO B 7 3.710 -7.981 11.666 1.00 0.75 C ATOM 1743 CD PRO B 7 4.437 -9.018 12.482 1.00 0.82 C ATOM 0 HA PRO B 7 6.340 -8.748 9.785 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.140 -7.155 9.740 1.00 0.62 H new ATOM 0 HB3 PRO B 7 3.882 -8.889 9.736 1.00 0.62 H new ATOM 0 HG2 PRO B 7 3.837 -6.985 12.090 1.00 0.75 H new ATOM 0 HG3 PRO B 7 2.639 -8.181 11.638 1.00 0.75 H new ATOM 0 HD2 PRO B 7 4.540 -8.713 13.523 1.00 0.82 H new ATOM 0 HD3 PRO B 7 3.913 -9.974 12.480 1.00 0.82 H new ATOM 1751 N THR B 8 6.989 -6.351 9.821 1.00 0.34 N ATOM 1752 CA THR B 8 7.564 -5.029 9.933 1.00 0.27 C ATOM 1753 C THR B 8 6.479 -3.994 9.741 1.00 0.28 C ATOM 1754 O THR B 8 5.304 -4.344 9.616 1.00 0.34 O ATOM 1755 CB THR B 8 8.645 -4.808 8.881 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.035 -4.678 7.598 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.623 -5.965 8.888 1.00 0.33 C ATOM 0 H THR B 8 7.024 -6.752 8.884 1.00 0.34 H new ATOM 0 HA THR B 8 8.013 -4.935 10.922 1.00 0.27 H new ATOM 0 HB THR B 8 9.194 -3.894 9.110 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.727 -4.685 6.904 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.391 -5.797 8.133 1.00 0.33 H new ATOM 0 HG22 THR B 8 10.090 -6.041 9.870 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.093 -6.891 8.666 1.00 0.33 H new ATOM 1765 N GLU B 9 6.866 -2.732 9.689 1.00 0.28 N ATOM 1766 CA GLU B 9 5.905 -1.663 9.495 1.00 0.33 C ATOM 1767 C GLU B 9 5.123 -1.871 8.200 1.00 0.36 C ATOM 1768 O GLU B 9 3.902 -1.865 8.205 1.00 0.52 O ATOM 1769 CB GLU B 9 6.587 -0.301 9.475 1.00 0.40 C ATOM 1770 CG GLU B 9 5.589 0.838 9.450 1.00 0.56 C ATOM 1771 CD GLU B 9 4.777 0.915 10.727 1.00 1.73 C ATOM 1772 OE1 GLU B 9 5.283 1.478 11.720 1.00 2.48 O ATOM 1773 OE2 GLU B 9 3.638 0.404 10.749 1.00 2.47 O ATOM 0 H GLU B 9 7.834 -2.424 9.778 1.00 0.28 H new ATOM 0 HA GLU B 9 5.213 -1.687 10.337 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.225 -0.203 10.353 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.235 -0.234 8.601 1.00 0.40 H new ATOM 0 HG2 GLU B 9 6.118 1.779 9.300 1.00 0.56 H new ATOM 0 HG3 GLU B 9 4.917 0.712 8.601 1.00 0.56 H new ATOM 1780 N THR B 10 5.829 -2.106 7.105 1.00 0.26 N ATOM 1781 CA THR B 10 5.192 -2.263 5.807 1.00 0.27 C ATOM 1782 C THR B 10 4.430 -3.572 5.736 1.00 0.27 C ATOM 1783 O THR B 10 3.368 -3.629 5.132 1.00 0.31 O ATOM 1784 CB THR B 10 6.211 -2.170 4.643 1.00 0.27 C ATOM 1785 OG1 THR B 10 5.668 -2.744 3.447 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.523 -2.857 5.004 1.00 0.26 C ATOM 0 H THR B 10 6.845 -2.192 7.090 1.00 0.26 H new ATOM 0 HA THR B 10 4.488 -1.438 5.695 1.00 0.27 H new ATOM 0 HB THR B 10 6.415 -1.114 4.465 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.325 -2.675 2.723 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.218 -2.776 4.168 1.00 0.26 H new ATOM 0 HG22 THR B 10 7.955 -2.378 5.883 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.336 -3.909 5.219 1.00 0.26 H new ATOM 1794 N GLU B 11 4.943 -4.604 6.383 1.00 0.24 N ATOM 1795 CA GLU B 11 4.306 -5.910 6.334 1.00 0.27 C ATOM 1796 C GLU B 11 2.990 -5.898 7.091 1.00 0.30 C ATOM 1797 O GLU B 11 1.965 -6.340 6.578 1.00 0.32 O ATOM 1798 CB GLU B 11 5.229 -6.973 6.898 1.00 0.29 C ATOM 1799 CG GLU B 11 6.598 -6.933 6.264 1.00 0.41 C ATOM 1800 CD GLU B 11 7.483 -8.088 6.686 1.00 1.11 C ATOM 1801 OE1 GLU B 11 7.549 -8.371 7.904 1.00 1.85 O ATOM 1802 OE2 GLU B 11 8.135 -8.694 5.813 1.00 1.71 O ATOM 0 H GLU B 11 5.793 -4.565 6.945 1.00 0.24 H new ATOM 0 HA GLU B 11 4.098 -6.147 5.291 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.325 -6.834 7.975 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.786 -7.957 6.741 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.490 -6.944 5.179 1.00 0.41 H new ATOM 0 HG3 GLU B 11 7.086 -5.994 6.527 1.00 0.41 H new ATOM 1809 N ARG B 12 3.020 -5.356 8.298 1.00 0.35 N ATOM 1810 CA ARG B 12 1.808 -5.238 9.099 1.00 0.42 C ATOM 1811 C ARG B 12 0.830 -4.323 8.391 1.00 0.43 C ATOM 1812 O ARG B 12 -0.377 -4.538 8.411 1.00 0.47 O ATOM 1813 CB ARG B 12 2.112 -4.712 10.517 1.00 0.48 C ATOM 1814 CG ARG B 12 2.679 -3.298 10.583 1.00 0.49 C ATOM 1815 CD ARG B 12 1.581 -2.249 10.503 1.00 0.56 C ATOM 1816 NE ARG B 12 0.743 -2.255 11.703 1.00 1.08 N ATOM 1817 CZ ARG B 12 -0.504 -1.791 11.761 1.00 1.34 C ATOM 1818 NH1 ARG B 12 -1.086 -1.281 10.685 1.00 1.86 N ATOM 1819 NH2 ARG B 12 -1.172 -1.845 12.906 1.00 1.95 N ATOM 0 H ARG B 12 3.863 -4.993 8.744 1.00 0.35 H new ATOM 0 HA ARG B 12 1.369 -6.229 9.211 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.193 -4.744 11.103 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.819 -5.391 10.994 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.236 -3.172 11.511 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.384 -3.150 9.765 1.00 0.49 H new ATOM 0 HD2 ARG B 12 2.027 -1.263 10.375 1.00 0.56 H new ATOM 0 HD3 ARG B 12 0.962 -2.435 9.625 1.00 0.56 H new ATOM 0 HE ARG B 12 1.143 -2.643 12.557 1.00 1.08 H new ATOM 0 HH11 ARG B 12 -0.578 -1.241 9.801 1.00 1.86 H new ATOM 0 HH12 ARG B 12 -2.042 -0.928 10.741 1.00 1.86 H new ATOM 0 HH21 ARG B 12 -0.730 -2.240 13.736 1.00 1.95 H new ATOM 0 HH22 ARG B 12 -2.127 -1.491 12.956 1.00 1.95 H new ATOM 1833 N CYS B 13 1.381 -3.310 7.738 1.00 0.42 N ATOM 1834 CA CYS B 13 0.591 -2.319 7.039 1.00 0.44 C ATOM 1835 C CYS B 13 -0.068 -2.954 5.830 1.00 0.30 C ATOM 1836 O CYS B 13 -1.218 -2.665 5.503 1.00 0.29 O ATOM 1837 CB CYS B 13 1.492 -1.148 6.648 1.00 0.57 C ATOM 1838 SG CYS B 13 1.806 0.011 7.996 1.00 2.16 S ATOM 0 H CYS B 13 2.388 -3.156 7.681 1.00 0.42 H new ATOM 0 HA CYS B 13 -0.201 -1.938 7.684 1.00 0.44 H new ATOM 0 HB2 CYS B 13 2.444 -1.538 6.288 1.00 0.57 H new ATOM 0 HB3 CYS B 13 1.034 -0.610 5.818 1.00 0.57 H new ATOM 0 HG CYS B 13 2.907 -0.318 8.604 1.00 2.16 H new ATOM 1844 N ILE B 14 0.665 -3.852 5.207 1.00 0.26 N ATOM 1845 CA ILE B 14 0.163 -4.646 4.108 1.00 0.24 C ATOM 1846 C ILE B 14 -1.023 -5.505 4.549 1.00 0.21 C ATOM 1847 O ILE B 14 -2.042 -5.584 3.859 1.00 0.23 O ATOM 1848 CB ILE B 14 1.289 -5.546 3.559 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.218 -4.757 2.637 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.724 -6.758 2.842 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.490 -5.501 2.313 1.00 0.27 C ATOM 0 H ILE B 14 1.635 -4.053 5.452 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.179 -3.971 3.323 1.00 0.24 H new ATOM 0 HB ILE B 14 1.872 -5.901 4.408 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.692 -4.525 1.711 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.468 -3.806 3.108 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.542 -7.373 2.466 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.120 -7.342 3.536 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.104 -6.431 2.008 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.110 -4.892 1.655 1.00 0.27 H new ATOM 0 HD12 ILE B 14 4.034 -5.710 3.234 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.246 -6.439 1.815 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.899 -6.114 5.721 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.923 -7.008 6.233 1.00 0.28 C ATOM 1865 C GLU B 15 -3.096 -6.209 6.721 1.00 0.30 C ATOM 1866 O GLU B 15 -4.215 -6.704 6.818 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.387 -7.824 7.387 1.00 0.32 C ATOM 1868 CG GLU B 15 -0.152 -8.628 7.036 1.00 0.32 C ATOM 1869 CD GLU B 15 0.339 -9.454 8.201 1.00 0.38 C ATOM 1870 OE1 GLU B 15 1.143 -8.946 9.006 1.00 1.06 O ATOM 1871 OE2 GLU B 15 -0.099 -10.617 8.331 1.00 1.25 O ATOM 0 H GLU B 15 -0.093 -6.002 6.336 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.228 -7.674 5.426 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -1.153 -7.156 8.216 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -2.166 -8.503 7.735 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.375 -9.285 6.195 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.640 -7.952 6.712 1.00 0.32 H new ATOM 1878 N SER B 16 -2.822 -4.975 7.055 1.00 0.31 N ATOM 1879 CA SER B 16 -3.847 -4.094 7.518 1.00 0.37 C ATOM 1880 C SER B 16 -4.686 -3.621 6.343 1.00 0.28 C ATOM 1881 O SER B 16 -5.882 -3.403 6.480 1.00 0.28 O ATOM 1882 CB SER B 16 -3.229 -2.939 8.282 1.00 0.54 C ATOM 1883 OG SER B 16 -2.491 -3.416 9.391 1.00 0.97 O ATOM 0 H SER B 16 -1.891 -4.561 7.013 1.00 0.31 H new ATOM 0 HA SER B 16 -4.509 -4.622 8.204 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.576 -2.367 7.622 1.00 0.54 H new ATOM 0 HB3 SER B 16 -4.011 -2.261 8.623 1.00 0.54 H new ATOM 0 HG SER B 16 -1.575 -3.621 9.110 1.00 0.97 H new ATOM 1889 N LEU B 17 -4.059 -3.501 5.178 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.799 -3.256 3.949 1.00 0.28 C ATOM 1891 C LEU B 17 -5.657 -4.470 3.654 1.00 0.27 C ATOM 1892 O LEU B 17 -6.798 -4.347 3.224 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.852 -2.994 2.783 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.798 -1.928 3.056 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.786 -1.855 1.925 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.450 -0.570 3.276 1.00 0.46 C ATOM 0 H LEU B 17 -3.048 -3.569 5.060 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.424 -2.372 4.076 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.350 -3.926 2.522 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.439 -2.694 1.915 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.268 -2.209 3.966 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -1.046 -1.086 2.148 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.287 -2.819 1.820 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.297 -1.608 0.995 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -2.680 0.176 3.469 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -4.013 -0.288 2.386 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -4.125 -0.624 4.130 1.00 0.46 H new ATOM 1908 N ILE B 18 -5.088 -5.647 3.906 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.833 -6.895 3.838 1.00 0.30 C ATOM 1910 C ILE B 18 -7.056 -6.826 4.747 1.00 0.28 C ATOM 1911 O ILE B 18 -8.160 -7.170 4.339 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.953 -8.109 4.239 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.905 -8.387 3.157 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.813 -9.343 4.492 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -2.979 -9.540 3.487 1.00 1.37 C ATOM 0 H ILE B 18 -4.107 -5.759 4.160 1.00 0.27 H new ATOM 0 HA ILE B 18 -6.151 -7.034 2.805 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.434 -7.867 5.167 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -4.414 -8.599 2.217 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -3.309 -7.488 3.001 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -5.174 -10.181 4.771 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.516 -9.137 5.299 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.365 -9.594 3.586 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -2.265 -9.677 2.675 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -2.442 -9.322 4.410 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -3.563 -10.451 3.614 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.847 -6.353 5.968 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.916 -6.238 6.952 1.00 0.25 C ATOM 1929 C ALA B 19 -9.001 -5.267 6.496 1.00 0.23 C ATOM 1930 O ALA B 19 -10.174 -5.633 6.420 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.348 -5.802 8.293 1.00 0.28 C ATOM 0 H ALA B 19 -5.936 -6.039 6.304 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.377 -7.220 7.059 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -8.155 -5.719 9.021 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.623 -6.539 8.638 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.858 -4.835 8.183 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.606 -4.034 6.184 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.560 -2.997 5.810 1.00 0.22 C ATOM 1939 C VAL B 20 -10.281 -3.374 4.524 1.00 0.23 C ATOM 1940 O VAL B 20 -11.490 -3.159 4.383 1.00 0.27 O ATOM 1941 CB VAL B 20 -8.879 -1.614 5.657 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -7.950 -1.375 6.811 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -8.116 -1.483 4.350 1.00 0.87 C ATOM 0 H VAL B 20 -7.632 -3.731 6.183 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.288 -2.919 6.617 1.00 0.22 H new ATOM 0 HB VAL B 20 -9.669 -0.864 5.648 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.473 -0.401 6.699 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -8.514 -1.398 7.743 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.186 -2.153 6.830 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -7.658 -0.495 4.293 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.339 -2.246 4.304 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -8.802 -1.613 3.513 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.536 -3.957 3.598 1.00 0.22 N ATOM 1954 CA PHE B 21 -10.127 -4.441 2.358 1.00 0.25 C ATOM 1955 C PHE B 21 -11.138 -5.545 2.643 1.00 0.29 C ATOM 1956 O PHE B 21 -12.278 -5.482 2.198 1.00 0.35 O ATOM 1957 CB PHE B 21 -9.053 -4.964 1.402 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.602 -5.498 0.106 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -9.878 -4.645 -0.949 1.00 1.85 C ATOM 1960 CD2 PHE B 21 -9.843 -6.855 -0.056 1.00 1.59 C ATOM 1961 CE1 PHE B 21 -10.384 -5.132 -2.139 1.00 2.48 C ATOM 1962 CE2 PHE B 21 -10.350 -7.346 -1.244 1.00 2.17 C ATOM 1963 CZ PHE B 21 -10.620 -6.483 -2.286 1.00 2.40 C ATOM 0 H PHE B 21 -8.530 -4.106 3.679 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.635 -3.601 1.885 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.351 -4.160 1.184 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.490 -5.753 1.900 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.696 -3.586 -0.841 1.00 1.85 H new ATOM 0 HD2 PHE B 21 -9.632 -7.535 0.756 1.00 1.59 H new ATOM 0 HE1 PHE B 21 -10.595 -4.455 -2.954 1.00 2.48 H new ATOM 0 HE2 PHE B 21 -10.535 -8.404 -1.357 1.00 2.17 H new ATOM 0 HZ PHE B 21 -11.016 -6.865 -3.216 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.720 -6.534 3.418 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.509 -7.737 3.638 1.00 0.37 C ATOM 1975 C GLN B 22 -12.771 -7.445 4.441 1.00 0.36 C ATOM 1976 O GLN B 22 -13.769 -8.153 4.310 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.658 -8.777 4.366 1.00 0.47 C ATOM 1978 CG GLN B 22 -11.054 -10.213 4.085 1.00 1.11 C ATOM 1979 CD GLN B 22 -10.798 -10.621 2.646 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -9.903 -10.093 1.984 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -11.563 -11.581 2.157 1.00 2.65 N ATOM 0 H GLN B 22 -9.827 -6.526 3.911 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.818 -8.122 2.666 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.614 -8.638 4.083 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -10.724 -8.597 5.439 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -10.500 -10.875 4.750 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -12.112 -10.345 4.313 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -12.294 -11.995 2.735 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -11.422 -11.908 1.201 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.736 -6.414 5.271 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.896 -6.087 6.081 1.00 0.39 C ATOM 1992 C LYS B 23 -14.956 -5.353 5.261 1.00 0.41 C ATOM 1993 O LYS B 23 -16.152 -5.584 5.442 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.492 -5.275 7.314 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.875 -3.941 7.002 1.00 0.42 C ATOM 1996 CD LYS B 23 -12.200 -3.373 8.225 1.00 0.63 C ATOM 1997 CE LYS B 23 -12.189 -1.868 8.168 1.00 0.64 C ATOM 1998 NZ LYS B 23 -11.467 -1.252 9.311 1.00 0.91 N ATOM 0 H LYS B 23 -11.932 -5.800 5.400 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.336 -7.023 6.425 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.373 -5.118 7.936 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.786 -5.859 7.904 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.149 -4.049 6.196 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.643 -3.252 6.650 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -12.721 -3.705 9.123 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -11.179 -3.748 8.292 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.724 -1.548 7.236 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -13.216 -1.502 8.154 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -11.373 -0.229 9.152 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -12.000 -1.418 10.189 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -10.522 -1.677 9.394 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.531 -4.484 4.350 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.483 -3.744 3.527 1.00 0.39 C ATOM 2014 C TYR B 24 -15.895 -4.533 2.304 1.00 0.34 C ATOM 2015 O TYR B 24 -17.078 -4.635 1.995 1.00 0.40 O ATOM 2016 CB TYR B 24 -14.928 -2.386 3.125 1.00 0.46 C ATOM 2017 CG TYR B 24 -15.118 -1.363 4.217 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -16.316 -0.675 4.328 1.00 1.66 C ATOM 2019 CD2 TYR B 24 -14.126 -1.108 5.150 1.00 1.52 C ATOM 2020 CE1 TYR B 24 -16.522 0.238 5.339 1.00 1.99 C ATOM 2021 CE2 TYR B 24 -14.323 -0.190 6.162 1.00 1.83 C ATOM 2022 CZ TYR B 24 -15.523 0.477 6.253 1.00 1.71 C ATOM 2023 OH TYR B 24 -15.732 1.384 7.265 1.00 2.15 O ATOM 0 H TYR B 24 -13.550 -4.276 4.164 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.373 -3.582 4.135 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.867 -2.480 2.894 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.423 -2.045 2.216 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -17.102 -0.858 3.610 1.00 1.66 H new ATOM 0 HD2 TYR B 24 -13.185 -1.635 5.085 1.00 1.52 H new ATOM 0 HE1 TYR B 24 -17.463 0.763 5.413 1.00 1.99 H new ATOM 0 HE2 TYR B 24 -13.539 0.004 6.879 1.00 1.83 H new ATOM 0 HH TYR B 24 -15.954 2.258 6.881 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.923 -5.109 1.621 1.00 0.29 N ATOM 2034 CA ALA B 25 -15.206 -5.970 0.489 1.00 0.34 C ATOM 2035 C ALA B 25 -15.962 -7.201 0.971 1.00 0.47 C ATOM 2036 O ALA B 25 -16.668 -7.864 0.211 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.911 -6.362 -0.203 1.00 0.37 C ATOM 0 H ALA B 25 -13.931 -4.996 1.831 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.826 -5.438 -0.233 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -14.133 -7.009 -1.052 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.400 -5.465 -0.554 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -13.269 -6.894 0.500 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.817 -7.479 2.262 1.00 0.50 N ATOM 2044 CA GLY B 26 -16.498 -8.595 2.878 1.00 0.64 C ATOM 2045 C GLY B 26 -17.993 -8.381 2.993 1.00 0.76 C ATOM 2046 O GLY B 26 -18.746 -9.342 3.152 1.00 0.96 O ATOM 0 H GLY B 26 -15.230 -6.940 2.898 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -16.309 -9.496 2.295 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -16.083 -8.764 3.871 1.00 0.64 H new ATOM 2050 N LYS B 27 -18.433 -7.128 2.897 1.00 0.69 N ATOM 2051 CA LYS B 27 -19.858 -6.821 2.950 1.00 0.82 C ATOM 2052 C LYS B 27 -20.580 -7.445 1.765 1.00 0.95 C ATOM 2053 O LYS B 27 -21.762 -7.778 1.850 1.00 1.11 O ATOM 2054 CB LYS B 27 -20.109 -5.313 2.929 1.00 0.77 C ATOM 2055 CG LYS B 27 -19.526 -4.548 4.106 1.00 0.81 C ATOM 2056 CD LYS B 27 -19.952 -3.089 4.055 1.00 0.86 C ATOM 2057 CE LYS B 27 -19.376 -2.284 5.205 1.00 1.11 C ATOM 2058 NZ LYS B 27 -19.958 -0.916 5.266 1.00 1.72 N ATOM 0 H LYS B 27 -17.827 -6.315 2.783 1.00 0.69 H new ATOM 0 HA LYS B 27 -20.239 -7.233 3.884 1.00 0.82 H new ATOM 0 HB2 LYS B 27 -19.694 -4.904 2.008 1.00 0.77 H new ATOM 0 HB3 LYS B 27 -21.185 -5.139 2.899 1.00 0.77 H new ATOM 0 HG2 LYS B 27 -19.859 -4.998 5.041 1.00 0.81 H new ATOM 0 HG3 LYS B 27 -18.438 -4.616 4.089 1.00 0.81 H new ATOM 0 HD2 LYS B 27 -19.630 -2.651 3.110 1.00 0.86 H new ATOM 0 HD3 LYS B 27 -21.040 -3.029 4.080 1.00 0.86 H new ATOM 0 HE2 LYS B 27 -19.568 -2.803 6.144 1.00 1.11 H new ATOM 0 HE3 LYS B 27 -18.294 -2.214 5.094 1.00 1.11 H new ATOM 0 HZ1 LYS B 27 -20.128 -0.655 6.258 1.00 1.72 H new ATOM 0 HZ2 LYS B 27 -19.296 -0.238 4.838 1.00 1.72 H new ATOM 0 HZ3 LYS B 27 -20.858 -0.898 4.745 1.00 1.72 H new ATOM 2072 N ASP B 28 -19.860 -7.602 0.661 1.00 1.00 N ATOM 2073 CA ASP B 28 -20.445 -8.142 -0.556 1.00 1.19 C ATOM 2074 C ASP B 28 -20.102 -9.623 -0.705 1.00 1.26 C ATOM 2075 O ASP B 28 -20.382 -10.244 -1.728 1.00 1.58 O ATOM 2076 CB ASP B 28 -19.963 -7.350 -1.773 1.00 1.33 C ATOM 2077 CG ASP B 28 -20.831 -7.591 -2.990 1.00 1.65 C ATOM 2078 OD1 ASP B 28 -22.031 -7.247 -2.941 1.00 2.15 O ATOM 2079 OD2 ASP B 28 -20.331 -8.140 -3.991 1.00 2.09 O ATOM 0 H ASP B 28 -18.871 -7.363 0.585 1.00 1.00 H new ATOM 0 HA ASP B 28 -21.529 -8.049 -0.491 1.00 1.19 H new ATOM 0 HB2 ASP B 28 -19.961 -6.286 -1.535 1.00 1.33 H new ATOM 0 HB3 ASP B 28 -18.934 -7.628 -2.001 1.00 1.33 H new ATOM 2084 N GLY B 29 -19.499 -10.186 0.336 1.00 1.15 N ATOM 2085 CA GLY B 29 -19.172 -11.599 0.328 1.00 1.32 C ATOM 2086 C GLY B 29 -17.695 -11.862 0.120 1.00 1.51 C ATOM 2087 O GLY B 29 -17.284 -13.021 0.036 1.00 1.64 O ATOM 0 H GLY B 29 -19.231 -9.689 1.185 1.00 1.15 H new ATOM 0 HA2 GLY B 29 -19.486 -12.044 1.272 1.00 1.32 H new ATOM 0 HA3 GLY B 29 -19.738 -12.093 -0.461 1.00 1.32 H new ATOM 2091 N TYR B 30 -16.903 -10.781 0.044 1.00 2.07 N ATOM 2092 CA TYR B 30 -15.442 -10.841 -0.162 1.00 2.80 C ATOM 2093 C TYR B 30 -15.044 -11.833 -1.258 1.00 2.61 C ATOM 2094 O TYR B 30 -15.857 -12.191 -2.109 1.00 3.02 O ATOM 2095 CB TYR B 30 -14.677 -11.138 1.153 1.00 3.68 C ATOM 2096 CG TYR B 30 -15.115 -12.377 1.915 1.00 4.52 C ATOM 2097 CD1 TYR B 30 -14.620 -13.634 1.586 1.00 5.12 C ATOM 2098 CD2 TYR B 30 -16.018 -12.285 2.969 1.00 5.11 C ATOM 2099 CE1 TYR B 30 -15.015 -14.762 2.281 1.00 6.09 C ATOM 2100 CE2 TYR B 30 -16.417 -13.408 3.668 1.00 6.04 C ATOM 2101 CZ TYR B 30 -15.913 -14.644 3.319 1.00 6.46 C ATOM 2102 OH TYR B 30 -16.312 -15.766 4.012 1.00 7.51 O ATOM 0 H TYR B 30 -17.260 -9.829 0.124 1.00 2.07 H new ATOM 0 HA TYR B 30 -15.149 -9.847 -0.500 1.00 2.80 H new ATOM 0 HB2 TYR B 30 -13.617 -11.236 0.919 1.00 3.68 H new ATOM 0 HB3 TYR B 30 -14.779 -10.276 1.812 1.00 3.68 H new ATOM 0 HD1 TYR B 30 -13.915 -13.731 0.774 1.00 5.12 H new ATOM 0 HD2 TYR B 30 -16.414 -11.319 3.246 1.00 5.11 H new ATOM 0 HE1 TYR B 30 -14.621 -15.731 2.011 1.00 6.09 H new ATOM 0 HE2 TYR B 30 -17.120 -13.319 4.483 1.00 6.04 H new ATOM 0 HH TYR B 30 -16.947 -15.509 4.713 1.00 7.51 H new ATOM 2112 N ASN B 31 -13.765 -12.207 -1.260 1.00 2.62 N ATOM 2113 CA ASN B 31 -13.223 -13.219 -2.171 1.00 2.78 C ATOM 2114 C ASN B 31 -12.973 -12.645 -3.568 1.00 1.96 C ATOM 2115 O ASN B 31 -12.551 -13.365 -4.476 1.00 2.53 O ATOM 2116 CB ASN B 31 -14.142 -14.451 -2.246 1.00 3.85 C ATOM 2117 CG ASN B 31 -13.488 -15.641 -2.924 1.00 4.61 C ATOM 2118 OD1 ASN B 31 -12.271 -15.823 -2.854 1.00 4.92 O ATOM 2119 ND2 ASN B 31 -14.292 -16.467 -3.574 1.00 5.33 N ATOM 0 H ASN B 31 -13.069 -11.814 -0.626 1.00 2.62 H new ATOM 0 HA ASN B 31 -12.262 -13.536 -1.765 1.00 2.78 H new ATOM 0 HB2 ASN B 31 -14.442 -14.735 -1.237 1.00 3.85 H new ATOM 0 HB3 ASN B 31 -15.051 -14.187 -2.787 1.00 3.85 H new ATOM 0 HD21 ASN B 31 -13.909 -17.290 -4.040 1.00 5.33 H new ATOM 0 HD22 ASN B 31 -15.294 -16.281 -3.609 1.00 5.33 H new ATOM 2126 N TYR B 32 -13.211 -11.347 -3.753 1.00 1.18 N ATOM 2127 CA TYR B 32 -12.926 -10.725 -5.043 1.00 1.18 C ATOM 2128 C TYR B 32 -12.768 -9.199 -4.979 1.00 0.91 C ATOM 2129 O TYR B 32 -11.670 -8.691 -5.201 1.00 1.04 O ATOM 2130 CB TYR B 32 -13.951 -11.143 -6.125 1.00 1.78 C ATOM 2131 CG TYR B 32 -15.430 -10.882 -5.847 1.00 2.38 C ATOM 2132 CD1 TYR B 32 -15.915 -10.580 -4.579 1.00 2.99 C ATOM 2133 CD2 TYR B 32 -16.347 -10.956 -6.887 1.00 3.08 C ATOM 2134 CE1 TYR B 32 -17.263 -10.358 -4.360 1.00 3.86 C ATOM 2135 CE2 TYR B 32 -17.694 -10.739 -6.677 1.00 3.93 C ATOM 2136 CZ TYR B 32 -18.147 -10.441 -5.414 1.00 4.19 C ATOM 2137 OH TYR B 32 -19.490 -10.232 -5.206 1.00 5.19 O ATOM 0 H TYR B 32 -13.591 -10.719 -3.044 1.00 1.18 H new ATOM 0 HA TYR B 32 -11.949 -11.111 -5.336 1.00 1.18 H new ATOM 0 HB2 TYR B 32 -13.689 -10.630 -7.050 1.00 1.78 H new ATOM 0 HB3 TYR B 32 -13.828 -12.211 -6.307 1.00 1.78 H new ATOM 0 HD1 TYR B 32 -15.226 -10.518 -3.749 1.00 2.99 H new ATOM 0 HD2 TYR B 32 -15.999 -11.189 -7.882 1.00 3.08 H new ATOM 0 HE1 TYR B 32 -17.620 -10.121 -3.369 1.00 3.86 H new ATOM 0 HE2 TYR B 32 -18.389 -10.803 -7.501 1.00 3.93 H new ATOM 0 HH TYR B 32 -19.613 -9.619 -4.452 1.00 5.19 H new ATOM 2147 N THR B 33 -13.825 -8.468 -4.659 1.00 0.66 N ATOM 2148 CA THR B 33 -13.824 -7.027 -4.882 1.00 0.45 C ATOM 2149 C THR B 33 -14.553 -6.229 -3.811 1.00 0.37 C ATOM 2150 O THR B 33 -15.440 -6.725 -3.115 1.00 0.44 O ATOM 2151 CB THR B 33 -14.469 -6.719 -6.236 1.00 0.45 C ATOM 2152 OG1 THR B 33 -15.234 -7.840 -6.695 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.437 -6.327 -7.271 1.00 0.43 C ATOM 0 H THR B 33 -14.683 -8.839 -4.250 1.00 0.66 H new ATOM 0 HA THR B 33 -12.778 -6.722 -4.850 1.00 0.45 H new ATOM 0 HB THR B 33 -15.137 -5.869 -6.095 1.00 0.45 H new ATOM 0 HG1 THR B 33 -16.168 -7.733 -6.419 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.933 -6.116 -8.218 1.00 0.43 H new ATOM 0 HG22 THR B 33 -12.904 -5.438 -6.935 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.729 -7.145 -7.407 1.00 0.43 H new ATOM 2161 N LEU B 34 -14.124 -4.981 -3.697 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.778 -3.970 -2.892 1.00 0.30 C ATOM 2163 C LEU B 34 -15.815 -3.280 -3.752 1.00 0.31 C ATOM 2164 O LEU B 34 -15.481 -2.492 -4.637 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.708 -2.986 -2.401 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.716 -2.684 -0.905 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.387 -2.085 -0.473 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.842 -1.736 -0.566 1.00 0.28 C ATOM 0 H LEU B 34 -13.291 -4.639 -4.175 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.278 -4.401 -2.025 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.728 -3.383 -2.667 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -13.829 -2.048 -2.942 1.00 0.29 H new ATOM 0 HG LEU B 34 -13.868 -3.621 -0.369 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.412 -1.877 0.597 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.584 -2.790 -0.686 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -12.211 -1.158 -1.019 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.835 -1.530 0.504 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.711 -0.804 -1.116 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.794 -2.189 -0.842 1.00 0.28 H new ATOM 2180 N SER B 35 -17.070 -3.624 -3.502 1.00 0.31 N ATOM 2181 CA SER B 35 -18.175 -3.179 -4.330 1.00 0.33 C ATOM 2182 C SER B 35 -18.319 -1.665 -4.295 1.00 0.32 C ATOM 2183 O SER B 35 -17.770 -1.006 -3.414 1.00 0.30 O ATOM 2184 CB SER B 35 -19.465 -3.866 -3.879 1.00 0.37 C ATOM 2185 OG SER B 35 -20.544 -3.570 -4.749 1.00 0.40 O ATOM 0 H SER B 35 -17.348 -4.218 -2.721 1.00 0.31 H new ATOM 0 HA SER B 35 -17.970 -3.457 -5.364 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.311 -4.944 -3.843 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.714 -3.546 -2.867 1.00 0.37 H new ATOM 0 HG SER B 35 -21.353 -4.025 -4.434 1.00 0.40 H new ATOM 2191 N LYS B 36 -19.058 -1.122 -5.261 1.00 0.38 N ATOM 2192 CA LYS B 36 -19.219 0.320 -5.401 1.00 0.42 C ATOM 2193 C LYS B 36 -19.613 0.955 -4.074 1.00 0.36 C ATOM 2194 O LYS B 36 -18.870 1.767 -3.530 1.00 0.35 O ATOM 2195 CB LYS B 36 -20.271 0.637 -6.468 1.00 0.53 C ATOM 2196 CG LYS B 36 -20.425 2.122 -6.758 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.148 2.712 -7.333 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.316 4.181 -7.697 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.233 4.376 -8.851 1.00 0.65 N ATOM 0 H LYS B 36 -19.558 -1.667 -5.963 1.00 0.38 H new ATOM 0 HA LYS B 36 -18.262 0.739 -5.711 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -20.005 0.122 -7.391 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -21.233 0.238 -6.146 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -21.245 2.274 -7.460 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -20.689 2.648 -5.840 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -18.341 2.608 -6.608 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -18.855 2.149 -8.219 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -19.701 4.725 -6.834 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.341 4.608 -7.934 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.329 5.392 -9.050 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -19.846 3.894 -9.687 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.167 3.978 -8.624 1.00 0.65 H new ATOM 2213 N THR B 37 -20.758 0.554 -3.541 1.00 0.37 N ATOM 2214 CA THR B 37 -21.250 1.100 -2.284 1.00 0.38 C ATOM 2215 C THR B 37 -20.310 0.775 -1.122 1.00 0.36 C ATOM 2216 O THR B 37 -20.180 1.555 -0.177 1.00 0.38 O ATOM 2217 CB THR B 37 -22.651 0.560 -1.965 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.543 0.835 -3.056 1.00 0.47 O ATOM 2219 CG2 THR B 37 -23.192 1.187 -0.691 1.00 0.49 C ATOM 0 H THR B 37 -21.366 -0.150 -3.961 1.00 0.37 H new ATOM 0 HA THR B 37 -21.296 2.182 -2.404 1.00 0.38 H new ATOM 0 HB THR B 37 -22.578 -0.518 -1.819 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.434 0.486 -2.846 1.00 0.47 H new ATOM 0 HG21 THR B 37 -24.186 0.790 -0.484 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.527 0.953 0.140 1.00 0.49 H new ATOM 0 HG23 THR B 37 -23.252 2.268 -0.815 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.629 -0.358 -1.214 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.720 -0.782 -0.164 1.00 0.33 C ATOM 2229 C GLU B 38 -17.501 0.119 -0.156 1.00 0.33 C ATOM 2230 O GLU B 38 -16.907 0.380 0.888 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.319 -2.245 -0.349 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.343 -3.236 0.182 1.00 0.47 C ATOM 2233 CD GLU B 38 -20.757 -2.954 -0.280 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -21.156 -3.462 -1.343 1.00 1.96 O ATOM 2235 OE2 GLU B 38 -21.479 -2.224 0.428 1.00 2.16 O ATOM 0 H GLU B 38 -19.690 -0.999 -2.005 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.225 -0.701 0.798 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -18.159 -2.436 -1.410 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.367 -2.417 0.153 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -19.061 -4.241 -0.133 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -19.317 -3.224 1.272 1.00 0.47 H new ATOM 2242 N PHE B 39 -17.159 0.613 -1.335 1.00 0.29 N ATOM 2243 CA PHE B 39 -16.042 1.516 -1.501 1.00 0.31 C ATOM 2244 C PHE B 39 -16.456 2.909 -1.077 1.00 0.28 C ATOM 2245 O PHE B 39 -15.662 3.669 -0.525 1.00 0.27 O ATOM 2246 CB PHE B 39 -15.598 1.517 -2.961 1.00 0.53 C ATOM 2247 CG PHE B 39 -14.317 2.250 -3.202 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -13.174 1.908 -2.502 1.00 1.78 C ATOM 2249 CD2 PHE B 39 -14.253 3.274 -4.130 1.00 1.76 C ATOM 2250 CE1 PHE B 39 -11.990 2.576 -2.721 1.00 2.66 C ATOM 2251 CE2 PHE B 39 -13.071 3.946 -4.354 1.00 2.61 C ATOM 2252 CZ PHE B 39 -11.936 3.597 -3.648 1.00 2.87 C ATOM 0 H PHE B 39 -17.651 0.396 -2.202 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.208 1.189 -0.880 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -15.485 0.486 -3.297 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -16.383 1.966 -3.569 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -13.211 1.109 -1.776 1.00 1.78 H new ATOM 0 HD2 PHE B 39 -15.138 3.549 -4.684 1.00 1.76 H new ATOM 0 HE1 PHE B 39 -11.104 2.301 -2.168 1.00 2.66 H new ATOM 0 HE2 PHE B 39 -13.032 4.744 -5.080 1.00 2.61 H new ATOM 0 HZ PHE B 39 -11.008 4.122 -3.821 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.712 3.227 -1.338 1.00 0.33 N ATOM 2263 CA LEU B 40 -18.294 4.477 -0.895 1.00 0.37 C ATOM 2264 C LEU B 40 -18.255 4.539 0.624 1.00 0.40 C ATOM 2265 O LEU B 40 -17.817 5.525 1.215 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.736 4.594 -1.387 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.948 4.369 -2.888 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -21.293 4.920 -3.331 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.815 4.970 -3.701 1.00 0.46 C ATOM 0 H LEU B 40 -18.352 2.628 -1.860 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.720 5.307 -1.308 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -20.346 3.874 -0.841 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -20.108 5.586 -1.131 1.00 0.43 H new ATOM 0 HG LEU B 40 -19.947 3.294 -3.069 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -21.422 4.749 -4.400 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -22.090 4.417 -2.784 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -21.333 5.990 -3.127 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.995 4.794 -4.762 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -18.763 6.043 -3.515 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -17.873 4.506 -3.411 1.00 0.46 H new ATOM 2281 N SER B 41 -18.695 3.454 1.240 1.00 0.42 N ATOM 2282 CA SER B 41 -18.652 3.311 2.682 1.00 0.52 C ATOM 2283 C SER B 41 -17.209 3.369 3.158 1.00 0.45 C ATOM 2284 O SER B 41 -16.887 4.107 4.088 1.00 0.47 O ATOM 2285 CB SER B 41 -19.303 1.986 3.095 1.00 0.67 C ATOM 2286 OG SER B 41 -19.305 1.819 4.504 1.00 1.40 O ATOM 0 H SER B 41 -19.091 2.650 0.753 1.00 0.42 H new ATOM 0 HA SER B 41 -19.207 4.127 3.144 1.00 0.52 H new ATOM 0 HB2 SER B 41 -20.327 1.952 2.723 1.00 0.67 H new ATOM 0 HB3 SER B 41 -18.768 1.157 2.631 1.00 0.67 H new ATOM 0 HG SER B 41 -20.206 1.578 4.804 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.342 2.604 2.493 1.00 0.42 N ATOM 2293 CA PHE B 42 -14.919 2.575 2.814 1.00 0.46 C ATOM 2294 C PHE B 42 -14.325 3.965 2.799 1.00 0.29 C ATOM 2295 O PHE B 42 -13.856 4.450 3.811 1.00 0.42 O ATOM 2296 CB PHE B 42 -14.152 1.707 1.816 1.00 0.80 C ATOM 2297 CG PHE B 42 -12.694 1.585 2.157 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -12.257 0.590 3.010 1.00 2.77 C ATOM 2299 CD2 PHE B 42 -11.767 2.479 1.643 1.00 2.69 C ATOM 2300 CE1 PHE B 42 -10.925 0.486 3.349 1.00 3.80 C ATOM 2301 CE2 PHE B 42 -10.433 2.379 1.975 1.00 3.73 C ATOM 2302 CZ PHE B 42 -10.011 1.382 2.832 1.00 4.13 C ATOM 0 H PHE B 42 -16.607 1.991 1.722 1.00 0.42 H new ATOM 0 HA PHE B 42 -14.827 2.153 3.815 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -14.599 0.713 1.786 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.253 2.132 0.817 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -12.968 -0.115 3.416 1.00 2.77 H new ATOM 0 HD2 PHE B 42 -12.094 3.262 0.975 1.00 2.69 H new ATOM 0 HE1 PHE B 42 -10.597 -0.296 4.018 1.00 3.80 H new ATOM 0 HE2 PHE B 42 -9.719 3.079 1.566 1.00 3.73 H new ATOM 0 HZ PHE B 42 -8.967 1.303 3.098 1.00 4.13 H new ATOM 2312 N MET B 43 -14.344 4.603 1.651 1.00 0.26 N ATOM 2313 CA MET B 43 -13.671 5.884 1.501 1.00 0.29 C ATOM 2314 C MET B 43 -14.230 6.958 2.426 1.00 0.29 C ATOM 2315 O MET B 43 -13.492 7.831 2.864 1.00 0.37 O ATOM 2316 CB MET B 43 -13.735 6.372 0.072 1.00 0.38 C ATOM 2317 CG MET B 43 -12.850 5.596 -0.887 1.00 0.62 C ATOM 2318 SD MET B 43 -12.356 6.568 -2.325 1.00 1.22 S ATOM 2319 CE MET B 43 -11.302 7.805 -1.567 1.00 2.25 C ATOM 0 H MET B 43 -14.812 4.264 0.811 1.00 0.26 H new ATOM 0 HA MET B 43 -12.632 5.709 1.781 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.767 6.314 -0.275 1.00 0.38 H new ATOM 0 HB3 MET B 43 -13.448 7.423 0.045 1.00 0.38 H new ATOM 0 HG2 MET B 43 -11.958 5.258 -0.359 1.00 0.62 H new ATOM 0 HG3 MET B 43 -13.379 4.704 -1.222 1.00 0.62 H new ATOM 0 HE1 MET B 43 -11.747 8.791 -1.697 1.00 2.25 H new ATOM 0 HE2 MET B 43 -11.197 7.591 -0.503 1.00 2.25 H new ATOM 0 HE3 MET B 43 -10.320 7.785 -2.040 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.519 6.915 2.727 1.00 0.29 N ATOM 2330 CA ASN B 44 -16.090 7.913 3.627 1.00 0.33 C ATOM 2331 C ASN B 44 -15.731 7.630 5.076 1.00 0.32 C ATOM 2332 O ASN B 44 -15.864 8.504 5.926 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.605 7.998 3.524 1.00 0.42 C ATOM 2334 CG ASN B 44 -18.098 8.810 2.341 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -18.202 10.035 2.417 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -18.437 8.140 1.258 1.00 1.83 N ATOM 0 H ASN B 44 -16.177 6.220 2.374 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.659 8.864 3.312 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -18.011 6.989 3.454 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.997 8.437 4.442 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -18.800 8.636 0.444 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -18.336 7.125 1.234 1.00 1.83 H new ATOM 2343 N THR B 45 -15.320 6.407 5.369 1.00 0.27 N ATOM 2344 CA THR B 45 -14.961 6.051 6.741 1.00 0.29 C ATOM 2345 C THR B 45 -13.455 5.938 6.915 1.00 0.28 C ATOM 2346 O THR B 45 -12.835 6.707 7.652 1.00 0.34 O ATOM 2347 CB THR B 45 -15.604 4.720 7.163 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.395 3.736 6.146 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.091 4.886 7.420 1.00 0.34 C ATOM 0 H THR B 45 -15.226 5.651 4.690 1.00 0.27 H new ATOM 0 HA THR B 45 -15.338 6.854 7.374 1.00 0.29 H new ATOM 0 HB THR B 45 -15.133 4.394 8.090 1.00 0.30 H new ATOM 0 HG1 THR B 45 -15.974 3.929 5.380 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.518 3.928 7.717 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.243 5.614 8.217 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.581 5.236 6.511 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.877 4.994 6.196 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.476 4.665 6.316 1.00 0.25 C ATOM 2359 C GLU B 46 -10.609 5.676 5.576 1.00 0.25 C ATOM 2360 O GLU B 46 -9.396 5.667 5.703 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.216 3.261 5.776 1.00 0.29 C ATOM 2362 CG GLU B 46 -12.068 2.185 6.431 1.00 0.57 C ATOM 2363 CD GLU B 46 -11.829 2.060 7.923 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -12.484 2.782 8.699 1.00 1.68 O ATOM 2365 OE2 GLU B 46 -10.991 1.226 8.328 1.00 1.70 O ATOM 0 H GLU B 46 -13.375 4.431 5.507 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.212 4.697 7.373 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.401 3.255 4.702 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -10.164 3.016 5.919 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -13.121 2.407 6.256 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -11.861 1.227 5.955 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.224 6.533 4.784 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.486 7.596 4.123 1.00 0.26 C ATOM 2374 C LEU B 47 -11.220 8.910 4.254 1.00 0.28 C ATOM 2375 O LEU B 47 -11.120 9.781 3.389 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.258 7.267 2.653 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.387 6.044 2.403 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.341 5.731 0.924 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -7.990 6.279 2.957 1.00 0.28 C ATOM 0 H LEU B 47 -12.224 6.516 4.583 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.515 7.685 4.610 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.225 7.111 2.175 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.798 8.129 2.169 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.818 5.185 2.917 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.715 4.854 0.757 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.350 5.531 0.563 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.925 6.582 0.385 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.373 5.399 2.774 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.544 7.143 2.465 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -8.050 6.463 4.030 1.00 0.28 H new ATOM 2391 N ALA B 48 -11.978 9.039 5.331 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.729 10.249 5.601 1.00 0.37 C ATOM 2393 C ALA B 48 -11.818 11.475 5.660 1.00 0.39 C ATOM 2394 O ALA B 48 -12.264 12.593 5.417 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.518 10.083 6.884 1.00 0.41 C ATOM 0 H ALA B 48 -12.088 8.311 6.037 1.00 0.32 H new ATOM 0 HA ALA B 48 -13.426 10.416 4.780 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -14.082 10.994 7.085 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -14.207 9.245 6.781 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.833 9.891 7.710 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.542 11.259 5.957 1.00 0.38 N ATOM 2402 CA ALA B 49 -9.550 12.327 5.905 1.00 0.41 C ATOM 2403 C ALA B 49 -9.503 12.938 4.512 1.00 0.41 C ATOM 2404 O ALA B 49 -9.552 14.159 4.343 1.00 0.47 O ATOM 2405 CB ALA B 49 -8.177 11.785 6.273 1.00 0.44 C ATOM 0 H ALA B 49 -10.169 10.352 6.237 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.834 13.098 6.621 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -7.444 12.591 6.231 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -8.207 11.374 7.282 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.895 11.001 5.570 1.00 0.44 H new ATOM 2411 N PHE B 50 -9.443 12.067 3.521 1.00 0.36 N ATOM 2412 CA PHE B 50 -9.297 12.467 2.135 1.00 0.37 C ATOM 2413 C PHE B 50 -10.654 12.781 1.509 1.00 0.38 C ATOM 2414 O PHE B 50 -10.785 13.693 0.693 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.624 11.331 1.369 1.00 0.35 C ATOM 2416 CG PHE B 50 -8.057 11.739 0.037 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -6.752 12.197 -0.060 1.00 1.63 C ATOM 2418 CD2 PHE B 50 -8.825 11.667 -1.115 1.00 1.33 C ATOM 2419 CE1 PHE B 50 -6.223 12.574 -1.279 1.00 2.10 C ATOM 2420 CE2 PHE B 50 -8.301 12.043 -2.337 1.00 1.67 C ATOM 2421 CZ PHE B 50 -6.999 12.497 -2.419 1.00 1.80 C ATOM 0 H PHE B 50 -9.495 11.057 3.657 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.689 13.370 2.086 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.822 10.919 1.982 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -9.349 10.532 1.214 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -6.141 12.260 0.829 1.00 1.63 H new ATOM 0 HD2 PHE B 50 -9.844 11.313 -1.057 1.00 1.33 H new ATOM 0 HE1 PHE B 50 -5.205 12.928 -1.341 1.00 2.10 H new ATOM 0 HE2 PHE B 50 -8.909 11.982 -3.227 1.00 1.67 H new ATOM 0 HZ PHE B 50 -6.588 12.791 -3.373 1.00 1.80 H new ATOM 2431 N THR B 51 -11.656 12.014 1.893 1.00 0.36 N ATOM 2432 CA THR B 51 -12.972 12.103 1.292 1.00 0.40 C ATOM 2433 C THR B 51 -13.820 13.235 1.876 1.00 0.45 C ATOM 2434 O THR B 51 -14.347 14.066 1.139 1.00 0.53 O ATOM 2435 CB THR B 51 -13.713 10.772 1.476 1.00 0.39 C ATOM 2436 OG1 THR B 51 -12.981 9.714 0.844 1.00 0.39 O ATOM 2437 CG2 THR B 51 -15.122 10.841 0.911 1.00 0.49 C ATOM 0 H THR B 51 -11.581 11.312 2.630 1.00 0.36 H new ATOM 0 HA THR B 51 -12.823 12.321 0.235 1.00 0.40 H new ATOM 0 HB THR B 51 -13.789 10.572 2.545 1.00 0.39 H new ATOM 0 HG1 THR B 51 -12.926 8.946 1.451 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.620 9.882 1.057 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.682 11.623 1.424 1.00 0.49 H new ATOM 0 HG23 THR B 51 -15.076 11.067 -0.154 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.929 13.279 3.198 1.00 0.47 N ATOM 2446 CA LYS B 52 -14.921 14.128 3.857 1.00 0.60 C ATOM 2447 C LYS B 52 -14.613 15.611 3.737 1.00 0.69 C ATOM 2448 O LYS B 52 -15.464 16.450 4.036 1.00 0.84 O ATOM 2449 CB LYS B 52 -15.052 13.749 5.321 1.00 0.70 C ATOM 2450 CG LYS B 52 -15.768 12.429 5.530 1.00 0.78 C ATOM 2451 CD LYS B 52 -17.215 12.511 5.080 1.00 1.07 C ATOM 2452 CE LYS B 52 -17.987 11.249 5.423 1.00 1.24 C ATOM 2453 NZ LYS B 52 -19.390 11.313 4.932 1.00 1.82 N ATOM 0 H LYS B 52 -13.345 12.739 3.836 1.00 0.47 H new ATOM 0 HA LYS B 52 -15.865 13.955 3.340 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -14.059 13.691 5.766 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -15.592 14.536 5.847 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -15.256 11.643 4.975 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -15.727 12.153 6.584 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -17.694 13.369 5.552 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -17.252 12.678 4.003 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -17.487 10.386 4.984 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -17.986 11.103 6.503 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -20.001 10.741 5.550 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -19.716 12.301 4.941 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -19.435 10.942 3.962 1.00 1.82 H new ATOM 2467 N ASN B 53 -13.412 15.946 3.295 1.00 0.68 N ATOM 2468 CA ASN B 53 -13.054 17.347 3.134 1.00 0.85 C ATOM 2469 C ASN B 53 -13.557 17.862 1.788 1.00 1.00 C ATOM 2470 O ASN B 53 -13.425 19.045 1.467 1.00 1.22 O ATOM 2471 CB ASN B 53 -11.543 17.566 3.280 1.00 0.92 C ATOM 2472 CG ASN B 53 -10.738 17.091 2.083 1.00 1.40 C ATOM 2473 OD1 ASN B 53 -10.623 17.790 1.075 1.00 1.93 O ATOM 2474 ND2 ASN B 53 -10.127 15.927 2.205 1.00 2.05 N ATOM 0 H ASN B 53 -12.680 15.281 3.045 1.00 0.68 H new ATOM 0 HA ASN B 53 -13.536 17.915 3.930 1.00 0.85 H new ATOM 0 HB2 ASN B 53 -11.352 18.628 3.436 1.00 0.92 H new ATOM 0 HB3 ASN B 53 -11.194 17.045 4.171 1.00 0.92 H new ATOM 0 HD21 ASN B 53 -9.536 15.579 1.450 1.00 2.05 H new ATOM 0 HD22 ASN B 53 -10.246 15.375 3.055 1.00 2.05 H new ATOM 2481 N GLN B 54 -14.144 16.963 1.009 1.00 1.01 N ATOM 2482 CA GLN B 54 -14.802 17.326 -0.233 1.00 1.29 C ATOM 2483 C GLN B 54 -16.213 16.749 -0.239 1.00 1.33 C ATOM 2484 O GLN B 54 -16.405 15.546 -0.425 1.00 2.05 O ATOM 2485 CB GLN B 54 -14.008 16.817 -1.439 1.00 1.74 C ATOM 2486 CG GLN B 54 -14.577 17.268 -2.776 1.00 2.17 C ATOM 2487 CD GLN B 54 -13.713 16.847 -3.945 1.00 2.39 C ATOM 2488 OE1 GLN B 54 -13.900 15.778 -4.525 1.00 2.90 O ATOM 2489 NE2 GLN B 54 -12.753 17.686 -4.297 1.00 2.71 N ATOM 0 H GLN B 54 -14.176 15.966 1.222 1.00 1.01 H new ATOM 0 HA GLN B 54 -14.854 18.412 -0.305 1.00 1.29 H new ATOM 0 HB2 GLN B 54 -12.977 17.162 -1.357 1.00 1.74 H new ATOM 0 HB3 GLN B 54 -13.982 15.728 -1.413 1.00 1.74 H new ATOM 0 HG2 GLN B 54 -15.577 16.853 -2.900 1.00 2.17 H new ATOM 0 HG3 GLN B 54 -14.679 18.353 -2.776 1.00 2.17 H new ATOM 0 HE21 GLN B 54 -12.631 18.563 -3.790 1.00 2.71 H new ATOM 0 HE22 GLN B 54 -12.135 17.456 -5.075 1.00 2.71 H new ATOM 2498 N LYS B 55 -17.195 17.608 -0.014 1.00 1.43 N ATOM 2499 CA LYS B 55 -18.579 17.174 0.109 1.00 1.87 C ATOM 2500 C LYS B 55 -19.196 16.909 -1.263 1.00 1.59 C ATOM 2501 O LYS B 55 -19.998 17.699 -1.769 1.00 2.27 O ATOM 2502 CB LYS B 55 -19.396 18.221 0.879 1.00 2.84 C ATOM 2503 CG LYS B 55 -20.832 17.801 1.160 1.00 3.60 C ATOM 2504 CD LYS B 55 -20.894 16.511 1.959 1.00 4.28 C ATOM 2505 CE LYS B 55 -22.328 16.083 2.221 1.00 5.02 C ATOM 2506 NZ LYS B 55 -23.052 17.048 3.090 1.00 5.58 N ATOM 0 H LYS B 55 -17.059 18.614 0.088 1.00 1.43 H new ATOM 0 HA LYS B 55 -18.596 16.238 0.667 1.00 1.87 H new ATOM 0 HB2 LYS B 55 -18.898 18.431 1.825 1.00 2.84 H new ATOM 0 HB3 LYS B 55 -19.405 19.151 0.310 1.00 2.84 H new ATOM 0 HG2 LYS B 55 -21.342 18.593 1.708 1.00 3.60 H new ATOM 0 HG3 LYS B 55 -21.364 17.671 0.218 1.00 3.60 H new ATOM 0 HD2 LYS B 55 -20.371 15.722 1.418 1.00 4.28 H new ATOM 0 HD3 LYS B 55 -20.375 16.645 2.908 1.00 4.28 H new ATOM 0 HE2 LYS B 55 -22.855 15.985 1.272 1.00 5.02 H new ATOM 0 HE3 LYS B 55 -22.332 15.100 2.691 1.00 5.02 H new ATOM 0 HZ1 LYS B 55 -23.963 16.638 3.381 1.00 5.58 H new ATOM 0 HZ2 LYS B 55 -22.479 17.253 3.934 1.00 5.58 H new ATOM 0 HZ3 LYS B 55 -23.221 17.929 2.564 1.00 5.58 H new ATOM 2520 N ASP B 56 -18.802 15.797 -1.863 1.00 1.36 N ATOM 2521 CA ASP B 56 -19.358 15.361 -3.135 1.00 1.50 C ATOM 2522 C ASP B 56 -19.132 13.864 -3.302 1.00 1.27 C ATOM 2523 O ASP B 56 -17.998 13.423 -3.449 1.00 1.44 O ATOM 2524 CB ASP B 56 -18.710 16.117 -4.300 1.00 2.13 C ATOM 2525 CG ASP B 56 -19.404 15.849 -5.620 1.00 2.84 C ATOM 2526 OD1 ASP B 56 -19.197 14.768 -6.204 1.00 3.44 O ATOM 2527 OD2 ASP B 56 -20.169 16.722 -6.081 1.00 3.39 O ATOM 0 H ASP B 56 -18.090 15.173 -1.484 1.00 1.36 H new ATOM 0 HA ASP B 56 -20.427 15.574 -3.140 1.00 1.50 H new ATOM 0 HB2 ASP B 56 -18.731 17.187 -4.092 1.00 2.13 H new ATOM 0 HB3 ASP B 56 -17.662 15.828 -4.379 1.00 2.13 H new ATOM 2532 N PRO B 57 -20.206 13.057 -3.276 1.00 1.06 N ATOM 2533 CA PRO B 57 -20.101 11.592 -3.362 1.00 1.02 C ATOM 2534 C PRO B 57 -19.546 11.109 -4.702 1.00 0.76 C ATOM 2535 O PRO B 57 -19.214 9.933 -4.863 1.00 0.70 O ATOM 2536 CB PRO B 57 -21.547 11.116 -3.182 1.00 1.20 C ATOM 2537 CG PRO B 57 -22.383 12.285 -3.573 1.00 1.20 C ATOM 2538 CD PRO B 57 -21.604 13.499 -3.155 1.00 1.14 C ATOM 0 HA PRO B 57 -19.409 11.200 -2.617 1.00 1.02 H new ATOM 0 HB2 PRO B 57 -21.760 10.250 -3.809 1.00 1.20 H new ATOM 0 HB3 PRO B 57 -21.740 10.818 -2.151 1.00 1.20 H new ATOM 0 HG2 PRO B 57 -22.571 12.291 -4.647 1.00 1.20 H new ATOM 0 HG3 PRO B 57 -23.355 12.254 -3.080 1.00 1.20 H new ATOM 0 HD2 PRO B 57 -21.814 14.354 -3.798 1.00 1.14 H new ATOM 0 HD3 PRO B 57 -21.844 13.801 -2.136 1.00 1.14 H new ATOM 2546 N GLY B 58 -19.426 12.027 -5.654 1.00 0.67 N ATOM 2547 CA GLY B 58 -18.955 11.678 -6.975 1.00 0.56 C ATOM 2548 C GLY B 58 -17.455 11.524 -7.033 1.00 0.49 C ATOM 2549 O GLY B 58 -16.915 11.057 -8.028 1.00 0.48 O ATOM 0 H GLY B 58 -19.649 13.014 -5.529 1.00 0.67 H new ATOM 0 HA2 GLY B 58 -19.425 10.746 -7.290 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -19.265 12.447 -7.683 1.00 0.56 H new ATOM 2553 N VAL B 59 -16.773 11.916 -5.970 1.00 0.52 N ATOM 2554 CA VAL B 59 -15.325 11.811 -5.937 1.00 0.52 C ATOM 2555 C VAL B 59 -14.882 10.363 -5.855 1.00 0.49 C ATOM 2556 O VAL B 59 -13.940 9.953 -6.531 1.00 0.49 O ATOM 2557 CB VAL B 59 -14.709 12.607 -4.767 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -15.300 12.173 -3.434 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -13.200 12.446 -4.751 1.00 0.66 C ATOM 0 H VAL B 59 -17.194 12.306 -5.127 1.00 0.52 H new ATOM 0 HA VAL B 59 -14.964 12.244 -6.870 1.00 0.52 H new ATOM 0 HB VAL B 59 -14.949 13.660 -4.916 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -14.846 12.752 -2.629 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -16.377 12.343 -3.441 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -15.101 11.113 -3.276 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -12.782 13.014 -3.920 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -12.948 11.392 -4.634 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -12.785 12.816 -5.688 1.00 0.66 H new ATOM 2569 N LEU B 60 -15.581 9.585 -5.051 1.00 0.48 N ATOM 2570 CA LEU B 60 -15.258 8.179 -4.901 1.00 0.46 C ATOM 2571 C LEU B 60 -15.597 7.458 -6.190 1.00 0.43 C ATOM 2572 O LEU B 60 -15.105 6.369 -6.470 1.00 0.41 O ATOM 2573 CB LEU B 60 -16.033 7.562 -3.742 1.00 0.48 C ATOM 2574 CG LEU B 60 -16.139 8.440 -2.495 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.870 7.707 -1.385 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -14.762 8.879 -2.035 1.00 0.52 C ATOM 0 H LEU B 60 -16.374 9.901 -4.493 1.00 0.48 H new ATOM 0 HA LEU B 60 -14.194 8.080 -4.685 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -17.039 7.321 -4.085 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -15.557 6.621 -3.466 1.00 0.48 H new ATOM 0 HG LEU B 60 -16.714 9.331 -2.749 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.935 8.349 -0.506 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.874 7.448 -1.720 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -16.326 6.797 -1.130 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -14.857 9.503 -1.146 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -14.160 8.001 -1.799 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -14.278 9.449 -2.828 1.00 0.52 H new ATOM 2588 N ASP B 61 -16.448 8.104 -6.969 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.839 7.610 -8.280 1.00 0.46 C ATOM 2590 C ASP B 61 -15.675 7.755 -9.238 1.00 0.47 C ATOM 2591 O ASP B 61 -15.381 6.863 -10.035 1.00 0.51 O ATOM 2592 CB ASP B 61 -18.036 8.403 -8.802 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.721 7.736 -9.977 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -19.546 6.823 -9.751 1.00 1.19 O ATOM 2595 OD2 ASP B 61 -18.459 8.143 -11.130 1.00 1.22 O ATOM 0 H ASP B 61 -16.888 8.987 -6.711 1.00 0.46 H new ATOM 0 HA ASP B 61 -17.118 6.559 -8.200 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.757 8.535 -7.995 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.704 9.398 -9.099 1.00 0.47 H new ATOM 2600 N ARG B 62 -15.009 8.889 -9.126 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.832 9.182 -9.921 1.00 0.51 C ATOM 2602 C ARG B 62 -12.710 8.224 -9.547 1.00 0.50 C ATOM 2603 O ARG B 62 -11.983 7.736 -10.411 1.00 0.56 O ATOM 2604 CB ARG B 62 -13.398 10.623 -9.678 1.00 0.55 C ATOM 2605 CG ARG B 62 -14.541 11.617 -9.784 1.00 0.55 C ATOM 2606 CD ARG B 62 -14.119 12.994 -9.327 1.00 0.62 C ATOM 2607 NE ARG B 62 -15.190 13.975 -9.469 1.00 1.45 N ATOM 2608 CZ ARG B 62 -14.990 15.279 -9.639 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -13.755 15.762 -9.706 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -16.024 16.102 -9.742 1.00 3.02 N ATOM 0 H ARG B 62 -15.270 9.634 -8.480 1.00 0.47 H new ATOM 0 HA ARG B 62 -14.065 9.056 -10.978 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.950 10.699 -8.687 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.625 10.889 -10.399 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -14.889 11.665 -10.816 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -15.381 11.273 -9.180 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -13.806 12.949 -8.284 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -13.254 13.317 -9.905 1.00 0.62 H new ATOM 0 HE ARG B 62 -16.153 13.640 -9.436 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -12.956 15.133 -9.627 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -13.605 16.762 -9.836 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -16.975 15.736 -9.691 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -15.869 17.102 -9.872 1.00 3.02 H new ATOM 2624 N MET B 63 -12.589 7.953 -8.247 1.00 0.45 N ATOM 2625 CA MET B 63 -11.620 6.981 -7.752 1.00 0.44 C ATOM 2626 C MET B 63 -11.963 5.611 -8.288 1.00 0.41 C ATOM 2627 O MET B 63 -11.109 4.910 -8.821 1.00 0.42 O ATOM 2628 CB MET B 63 -11.625 6.920 -6.229 1.00 0.43 C ATOM 2629 CG MET B 63 -11.499 8.274 -5.566 1.00 0.49 C ATOM 2630 SD MET B 63 -9.942 9.098 -5.963 1.00 0.63 S ATOM 2631 CE MET B 63 -10.134 10.630 -5.061 1.00 1.54 C ATOM 0 H MET B 63 -13.151 8.394 -7.519 1.00 0.45 H new ATOM 0 HA MET B 63 -10.631 7.291 -8.089 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.549 6.447 -5.896 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.804 6.285 -5.897 1.00 0.43 H new ATOM 0 HG2 MET B 63 -12.330 8.906 -5.878 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.577 8.154 -4.485 1.00 0.49 H new ATOM 0 HE1 MET B 63 -9.158 11.094 -4.920 1.00 1.54 H new ATOM 0 HE2 MET B 63 -10.779 11.305 -5.624 1.00 1.54 H new ATOM 0 HE3 MET B 63 -10.582 10.426 -4.089 1.00 1.54 H new ATOM 2641 N MET B 64 -13.230 5.245 -8.138 1.00 0.41 N ATOM 2642 CA MET B 64 -13.734 3.976 -8.630 1.00 0.42 C ATOM 2643 C MET B 64 -13.256 3.712 -10.044 1.00 0.44 C ATOM 2644 O MET B 64 -12.608 2.720 -10.292 1.00 0.41 O ATOM 2645 CB MET B 64 -15.260 3.963 -8.617 1.00 0.55 C ATOM 2646 CG MET B 64 -15.854 2.719 -9.260 1.00 0.65 C ATOM 2647 SD MET B 64 -17.398 3.061 -10.126 1.00 1.87 S ATOM 2648 CE MET B 64 -17.801 1.428 -10.730 1.00 2.41 C ATOM 0 H MET B 64 -13.932 5.820 -7.673 1.00 0.41 H new ATOM 0 HA MET B 64 -13.354 3.196 -7.970 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.609 4.033 -7.587 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.629 4.846 -9.139 1.00 0.55 H new ATOM 0 HG2 MET B 64 -15.134 2.297 -9.961 1.00 0.65 H new ATOM 0 HG3 MET B 64 -16.031 1.966 -8.492 1.00 0.65 H new ATOM 0 HE1 MET B 64 -18.878 1.272 -10.667 1.00 2.41 H new ATOM 0 HE2 MET B 64 -17.481 1.335 -11.768 1.00 2.41 H new ATOM 0 HE3 MET B 64 -17.290 0.680 -10.124 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.539 4.634 -10.950 1.00 0.52 N ATOM 2659 CA LYS B 65 -13.336 4.390 -12.379 1.00 0.56 C ATOM 2660 C LYS B 65 -11.875 4.121 -12.747 1.00 0.54 C ATOM 2661 O LYS B 65 -11.593 3.186 -13.496 1.00 0.60 O ATOM 2662 CB LYS B 65 -13.884 5.553 -13.197 1.00 0.67 C ATOM 2663 CG LYS B 65 -15.390 5.704 -13.079 1.00 0.79 C ATOM 2664 CD LYS B 65 -16.112 4.427 -13.484 1.00 0.86 C ATOM 2665 CE LYS B 65 -17.619 4.613 -13.454 1.00 1.57 C ATOM 2666 NZ LYS B 65 -18.341 3.426 -13.984 1.00 2.49 N ATOM 0 H LYS B 65 -13.909 5.558 -10.727 1.00 0.52 H new ATOM 0 HA LYS B 65 -13.886 3.480 -12.619 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -13.405 6.476 -12.871 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -13.620 5.409 -14.245 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -15.652 5.961 -12.053 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -15.725 6.528 -13.709 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -15.800 4.132 -14.486 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -15.830 3.618 -12.811 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -17.940 4.804 -12.430 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -17.887 5.491 -14.041 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -19.366 3.597 -13.945 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -18.056 3.258 -14.970 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -18.107 2.592 -13.409 1.00 2.49 H new ATOM 2680 N LYS B 66 -10.955 4.938 -12.241 1.00 0.50 N ATOM 2681 CA LYS B 66 -9.526 4.731 -12.510 1.00 0.52 C ATOM 2682 C LYS B 66 -9.066 3.387 -11.992 1.00 0.48 C ATOM 2683 O LYS B 66 -8.390 2.623 -12.685 1.00 0.54 O ATOM 2684 CB LYS B 66 -8.663 5.795 -11.838 1.00 0.55 C ATOM 2685 CG LYS B 66 -9.270 6.387 -10.589 1.00 0.91 C ATOM 2686 CD LYS B 66 -8.335 7.380 -9.915 1.00 0.96 C ATOM 2687 CE LYS B 66 -7.191 6.681 -9.200 1.00 0.73 C ATOM 2688 NZ LYS B 66 -6.165 7.642 -8.716 1.00 1.47 N ATOM 0 H LYS B 66 -11.165 5.742 -11.649 1.00 0.50 H new ATOM 0 HA LYS B 66 -9.410 4.788 -13.592 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -7.697 5.357 -11.587 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -8.474 6.597 -12.552 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -10.206 6.885 -10.842 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -9.513 5.587 -9.890 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -7.933 8.065 -10.661 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -8.897 7.981 -9.200 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -7.584 6.115 -8.356 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -6.725 5.964 -9.876 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -5.403 7.123 -8.235 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -5.771 8.165 -9.524 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -6.602 8.311 -8.051 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.432 3.129 -10.760 1.00 0.41 N ATOM 2703 CA LEU B 67 -8.996 1.956 -10.046 1.00 0.39 C ATOM 2704 C LEU B 67 -9.693 0.724 -10.573 1.00 0.40 C ATOM 2705 O LEU B 67 -9.108 -0.350 -10.604 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.334 2.139 -8.596 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.772 3.402 -7.951 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.342 3.579 -6.558 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.255 3.358 -7.917 1.00 0.37 C ATOM 0 H LEU B 67 -10.048 3.736 -10.219 1.00 0.41 H new ATOM 0 HA LEU B 67 -7.922 1.825 -10.179 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.419 2.149 -8.491 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.968 1.274 -8.042 1.00 0.34 H new ATOM 0 HG LEU B 67 -9.068 4.261 -8.553 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -8.932 4.484 -6.110 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.427 3.662 -6.617 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -9.077 2.718 -5.944 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -6.875 4.268 -7.453 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.929 2.493 -7.340 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -6.870 3.281 -8.934 1.00 0.37 H new ATOM 2721 N ASP B 68 -10.957 0.899 -10.961 1.00 0.39 N ATOM 2722 CA ASP B 68 -11.749 -0.151 -11.593 1.00 0.42 C ATOM 2723 C ASP B 68 -11.171 -0.407 -12.974 1.00 0.52 C ATOM 2724 O ASP B 68 -11.796 -0.174 -14.012 1.00 0.57 O ATOM 2725 CB ASP B 68 -13.225 0.272 -11.689 1.00 0.43 C ATOM 2726 CG ASP B 68 -14.110 -0.755 -12.373 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -14.083 -1.935 -11.975 1.00 1.13 O ATOM 2728 OD2 ASP B 68 -14.839 -0.380 -13.319 1.00 1.23 O ATOM 0 H ASP B 68 -11.460 1.778 -10.844 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.709 -1.063 -10.998 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.607 0.457 -10.685 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.289 1.214 -12.233 1.00 0.43 H new ATOM 2733 N THR B 69 -9.944 -0.846 -12.956 1.00 0.58 N ATOM 2734 CA THR B 69 -9.140 -0.977 -14.135 1.00 0.74 C ATOM 2735 C THR B 69 -9.467 -2.275 -14.856 1.00 0.83 C ATOM 2736 O THR B 69 -9.192 -2.430 -16.047 1.00 0.99 O ATOM 2737 CB THR B 69 -7.654 -0.895 -13.734 1.00 0.79 C ATOM 2738 OG1 THR B 69 -6.826 -0.651 -14.880 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.209 -2.174 -13.039 1.00 0.82 C ATOM 0 H THR B 69 -9.466 -1.129 -12.101 1.00 0.58 H new ATOM 0 HA THR B 69 -9.355 -0.166 -14.831 1.00 0.74 H new ATOM 0 HB THR B 69 -7.545 -0.062 -13.040 1.00 0.79 H new ATOM 0 HG1 THR B 69 -5.888 -0.601 -14.601 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.157 -2.092 -12.766 1.00 0.82 H new ATOM 0 HG22 THR B 69 -7.807 -2.327 -12.140 1.00 0.82 H new ATOM 0 HG23 THR B 69 -7.344 -3.020 -13.713 1.00 0.82 H new ATOM 2747 N ASN B 70 -10.087 -3.194 -14.130 1.00 0.80 N ATOM 2748 CA ASN B 70 -10.578 -4.420 -14.728 1.00 0.94 C ATOM 2749 C ASN B 70 -11.987 -4.191 -15.256 1.00 0.86 C ATOM 2750 O ASN B 70 -12.525 -4.983 -16.030 1.00 0.98 O ATOM 2751 CB ASN B 70 -10.570 -5.548 -13.702 1.00 1.00 C ATOM 2752 CG ASN B 70 -10.430 -6.923 -14.333 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -10.859 -7.156 -15.464 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -9.821 -7.847 -13.607 1.00 1.66 N ATOM 0 H ASN B 70 -10.260 -3.111 -13.128 1.00 0.80 H new ATOM 0 HA ASN B 70 -9.927 -4.707 -15.554 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -9.749 -5.390 -13.003 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -11.493 -5.512 -13.123 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -9.694 -8.788 -13.981 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -9.478 -7.618 -12.674 1.00 1.66 H new ATOM 2761 N SER B 71 -12.563 -3.071 -14.816 1.00 0.70 N ATOM 2762 CA SER B 71 -13.847 -2.589 -15.300 1.00 0.66 C ATOM 2763 C SER B 71 -14.980 -3.532 -14.921 1.00 0.61 C ATOM 2764 O SER B 71 -15.854 -3.839 -15.733 1.00 0.66 O ATOM 2765 CB SER B 71 -13.792 -2.373 -16.814 1.00 0.82 C ATOM 2766 OG SER B 71 -12.718 -1.506 -17.150 1.00 1.48 O ATOM 0 H SER B 71 -12.143 -2.471 -14.106 1.00 0.70 H new ATOM 0 HA SER B 71 -14.053 -1.633 -14.819 1.00 0.66 H new ATOM 0 HB2 SER B 71 -13.668 -3.330 -17.320 1.00 0.82 H new ATOM 0 HB3 SER B 71 -14.734 -1.948 -17.162 1.00 0.82 H new ATOM 0 HG SER B 71 -12.693 -1.378 -18.121 1.00 1.48 H new ATOM 2772 N ASP B 72 -14.967 -3.974 -13.673 1.00 0.58 N ATOM 2773 CA ASP B 72 -16.009 -4.851 -13.169 1.00 0.65 C ATOM 2774 C ASP B 72 -17.011 -4.041 -12.362 1.00 0.56 C ATOM 2775 O ASP B 72 -18.148 -4.463 -12.146 1.00 0.66 O ATOM 2776 CB ASP B 72 -15.404 -5.962 -12.303 1.00 0.80 C ATOM 2777 CG ASP B 72 -16.433 -6.983 -11.860 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -16.790 -7.865 -12.672 1.00 1.56 O ATOM 2779 OD2 ASP B 72 -16.883 -6.926 -10.696 1.00 1.53 O ATOM 0 H ASP B 72 -14.246 -3.739 -12.991 1.00 0.58 H new ATOM 0 HA ASP B 72 -16.520 -5.315 -14.013 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -14.616 -6.466 -12.863 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -14.936 -5.518 -11.424 1.00 0.80 H new ATOM 2784 N GLY B 73 -16.590 -2.854 -11.944 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.465 -1.981 -11.189 1.00 0.46 C ATOM 2786 C GLY B 73 -17.155 -2.020 -9.716 1.00 0.41 C ATOM 2787 O GLY B 73 -17.893 -1.475 -8.892 1.00 0.44 O ATOM 0 H GLY B 73 -15.656 -2.481 -12.115 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.364 -0.959 -11.555 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.502 -2.276 -11.351 1.00 0.46 H new ATOM 2791 N GLN B 74 -16.056 -2.668 -9.394 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.595 -2.796 -8.030 1.00 0.37 C ATOM 2793 C GLN B 74 -14.090 -2.666 -8.027 1.00 0.36 C ATOM 2794 O GLN B 74 -13.477 -2.579 -9.087 1.00 0.39 O ATOM 2795 CB GLN B 74 -15.972 -4.154 -7.451 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.447 -4.491 -7.551 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.836 -5.719 -6.751 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -17.242 -6.020 -5.721 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -18.838 -6.439 -7.220 1.00 1.25 N ATOM 0 H GLN B 74 -15.453 -3.124 -10.078 1.00 0.38 H new ATOM 0 HA GLN B 74 -16.060 -2.020 -7.422 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.400 -4.926 -7.966 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.676 -4.183 -6.402 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -18.032 -3.639 -7.204 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.706 -4.650 -8.598 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -19.309 -6.158 -8.080 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -19.141 -7.276 -6.722 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.495 -2.661 -6.853 1.00 0.33 N ATOM 2809 CA LEU B 75 -12.049 -2.604 -6.760 1.00 0.31 C ATOM 2810 C LEU B 75 -11.510 -3.844 -6.106 1.00 0.32 C ATOM 2811 O LEU B 75 -11.794 -4.128 -4.939 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.593 -1.382 -5.985 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.120 -0.067 -6.535 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.488 1.094 -5.804 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -11.847 0.015 -8.026 1.00 0.35 C ATOM 0 H LEU B 75 -13.983 -2.695 -5.958 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.660 -2.536 -7.776 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -11.911 -1.483 -4.947 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.503 -1.352 -5.983 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.198 -0.018 -6.379 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -11.873 2.031 -6.207 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -11.728 1.030 -4.743 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.406 1.061 -5.934 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -12.227 0.960 -8.414 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.773 -0.044 -8.203 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.344 -0.812 -8.533 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.751 -4.588 -6.869 1.00 0.35 N ATOM 2828 CA ASP B 76 -10.091 -5.764 -6.355 1.00 0.36 C ATOM 2829 C ASP B 76 -8.862 -5.315 -5.584 1.00 0.33 C ATOM 2830 O ASP B 76 -8.538 -4.134 -5.601 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.782 -6.735 -7.505 1.00 0.44 C ATOM 2832 CG ASP B 76 -8.353 -6.686 -8.044 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.407 -7.093 -7.328 1.00 1.44 O ATOM 2834 OD2 ASP B 76 -8.175 -6.294 -9.212 1.00 1.68 O ATOM 0 H ASP B 76 -10.573 -4.400 -7.856 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.730 -6.317 -5.666 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -9.989 -7.750 -7.165 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -10.468 -6.528 -8.326 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.200 -6.225 -4.891 1.00 0.40 N ATOM 2840 CA PHE B 77 -7.126 -5.848 -3.981 1.00 0.49 C ATOM 2841 C PHE B 77 -6.068 -4.993 -4.677 1.00 0.39 C ATOM 2842 O PHE B 77 -5.639 -3.977 -4.142 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.482 -7.085 -3.374 1.00 0.72 C ATOM 2844 CG PHE B 77 -5.776 -6.802 -2.082 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -6.459 -6.246 -1.014 1.00 2.66 C ATOM 2846 CD2 PHE B 77 -4.433 -7.094 -1.932 1.00 2.56 C ATOM 2847 CE1 PHE B 77 -5.815 -5.985 0.179 1.00 3.77 C ATOM 2848 CE2 PHE B 77 -3.786 -6.836 -0.742 1.00 3.67 C ATOM 2849 CZ PHE B 77 -4.476 -6.281 0.315 1.00 4.14 C ATOM 0 H PHE B 77 -8.384 -7.227 -4.939 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.569 -5.249 -3.185 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -7.248 -7.841 -3.205 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -5.771 -7.505 -4.086 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -7.509 -6.013 -1.115 1.00 2.66 H new ATOM 0 HD2 PHE B 77 -3.885 -7.529 -2.755 1.00 2.56 H new ATOM 0 HE1 PHE B 77 -6.359 -5.550 1.004 1.00 3.77 H new ATOM 0 HE2 PHE B 77 -2.737 -7.069 -0.638 1.00 3.67 H new ATOM 0 HZ PHE B 77 -3.969 -6.079 1.247 1.00 4.14 H new ATOM 2859 N SER B 78 -5.669 -5.395 -5.874 1.00 0.38 N ATOM 2860 CA SER B 78 -4.685 -4.648 -6.647 1.00 0.38 C ATOM 2861 C SER B 78 -5.216 -3.267 -7.036 1.00 0.38 C ATOM 2862 O SER B 78 -4.451 -2.312 -7.168 1.00 0.44 O ATOM 2863 CB SER B 78 -4.294 -5.432 -7.901 1.00 0.44 C ATOM 2864 OG SER B 78 -5.416 -5.693 -8.728 1.00 1.32 O ATOM 0 H SER B 78 -6.013 -6.238 -6.334 1.00 0.38 H new ATOM 0 HA SER B 78 -3.803 -4.507 -6.022 1.00 0.38 H new ATOM 0 HB2 SER B 78 -3.550 -4.869 -8.465 1.00 0.44 H new ATOM 0 HB3 SER B 78 -3.829 -6.374 -7.611 1.00 0.44 H new ATOM 0 HG SER B 78 -6.029 -6.302 -8.266 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.528 -3.167 -7.202 1.00 0.36 N ATOM 2871 CA GLU B 79 -7.163 -1.914 -7.593 1.00 0.42 C ATOM 2872 C GLU B 79 -7.356 -1.031 -6.365 1.00 0.33 C ATOM 2873 O GLU B 79 -7.232 0.191 -6.424 1.00 0.33 O ATOM 2874 CB GLU B 79 -8.500 -2.205 -8.276 1.00 0.51 C ATOM 2875 CG GLU B 79 -8.366 -3.175 -9.439 1.00 0.64 C ATOM 2876 CD GLU B 79 -9.682 -3.479 -10.131 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -10.593 -4.022 -9.475 1.00 2.54 O ATOM 2878 OE2 GLU B 79 -9.799 -3.197 -11.343 1.00 2.57 O ATOM 0 H GLU B 79 -7.177 -3.943 -7.071 1.00 0.36 H new ATOM 0 HA GLU B 79 -6.525 -1.383 -8.300 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -9.195 -2.616 -7.544 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -8.931 -1.270 -8.635 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -7.669 -2.761 -10.168 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -7.932 -4.107 -9.076 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.643 -1.682 -5.251 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.721 -1.030 -3.954 1.00 0.25 C ATOM 2887 C PHE B 80 -6.350 -0.510 -3.549 1.00 0.23 C ATOM 2888 O PHE B 80 -6.215 0.588 -3.022 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.226 -2.037 -2.923 1.00 0.31 C ATOM 2890 CG PHE B 80 -8.140 -1.555 -1.511 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -8.999 -0.579 -1.047 1.00 1.26 C ATOM 2892 CD2 PHE B 80 -7.194 -2.084 -0.647 1.00 1.60 C ATOM 2893 CE1 PHE B 80 -8.917 -0.136 0.252 1.00 1.56 C ATOM 2894 CE2 PHE B 80 -7.110 -1.645 0.656 1.00 1.98 C ATOM 2895 CZ PHE B 80 -7.972 -0.668 1.105 1.00 1.64 C ATOM 0 H PHE B 80 -7.830 -2.684 -5.220 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.409 -0.186 -4.008 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -9.263 -2.284 -3.149 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.651 -2.958 -3.018 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -9.742 -0.160 -1.710 1.00 1.26 H new ATOM 0 HD2 PHE B 80 -6.516 -2.848 -0.999 1.00 1.60 H new ATOM 0 HE1 PHE B 80 -9.593 0.629 0.605 1.00 1.56 H new ATOM 0 HE2 PHE B 80 -6.372 -2.065 1.323 1.00 1.98 H new ATOM 0 HZ PHE B 80 -7.908 -0.319 2.125 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.332 -1.313 -3.795 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.968 -0.917 -3.501 1.00 0.26 C ATOM 2907 C LEU B 81 -3.486 0.119 -4.487 1.00 0.26 C ATOM 2908 O LEU B 81 -2.620 0.931 -4.174 1.00 0.27 O ATOM 2909 CB LEU B 81 -3.051 -2.118 -3.536 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.332 -3.162 -2.461 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.364 -4.315 -2.599 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.260 -2.539 -1.067 1.00 0.29 C ATOM 0 H LEU B 81 -5.424 -2.245 -4.199 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.952 -0.483 -2.501 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -3.132 -2.592 -4.514 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -2.021 -1.776 -3.431 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.344 -3.545 -2.595 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.570 -5.057 -1.828 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.479 -4.771 -3.582 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.344 -3.949 -2.486 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.464 -3.303 -0.316 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.264 -2.126 -0.904 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -4.000 -1.743 -0.985 1.00 0.29 H new ATOM 2924 N ASN B 82 -4.044 0.076 -5.681 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.777 1.098 -6.672 1.00 0.26 C ATOM 2926 C ASN B 82 -4.211 2.440 -6.101 1.00 0.23 C ATOM 2927 O ASN B 82 -3.551 3.466 -6.270 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.554 0.801 -7.961 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.952 1.464 -9.189 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -3.350 2.534 -9.108 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -4.112 0.828 -10.339 1.00 1.42 N ATOM 0 H ASN B 82 -4.685 -0.656 -5.988 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.714 1.117 -6.911 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -4.587 -0.277 -8.118 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -5.584 1.137 -7.842 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -3.730 1.224 -11.198 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -4.617 -0.058 -10.366 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.339 2.398 -5.403 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.852 3.535 -4.663 1.00 0.24 C ATOM 2940 C LEU B 83 -4.885 3.954 -3.570 1.00 0.23 C ATOM 2941 O LEU B 83 -4.514 5.123 -3.476 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.182 3.169 -4.030 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.609 4.071 -2.887 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -8.075 5.421 -3.414 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.683 3.393 -2.061 1.00 0.36 C ATOM 0 H LEU B 83 -5.925 1.566 -5.337 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.979 4.365 -5.358 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.954 3.190 -4.800 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -7.125 2.144 -3.664 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.751 4.252 -2.239 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.377 6.053 -2.579 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.260 5.901 -3.956 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.922 5.277 -4.085 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -8.982 4.049 -1.244 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.547 3.181 -2.691 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.294 2.460 -1.653 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.500 2.991 -2.738 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.549 3.234 -1.661 1.00 0.26 C ATOM 2959 C ILE B 84 -2.283 3.883 -2.208 1.00 0.27 C ATOM 2960 O ILE B 84 -1.674 4.723 -1.550 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.228 1.924 -0.893 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -4.184 1.749 0.292 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -1.782 1.895 -0.403 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -5.645 1.694 -0.091 1.00 0.62 C ATOM 0 H ILE B 84 -4.835 2.029 -2.791 1.00 0.24 H new ATOM 0 HA ILE B 84 -4.003 3.924 -0.950 1.00 0.26 H new ATOM 0 HB ILE B 84 -3.363 1.097 -1.590 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -3.924 0.832 0.821 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -4.034 2.573 0.990 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.597 0.962 0.130 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -1.107 1.966 -1.256 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -1.608 2.736 0.268 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -6.252 1.569 0.806 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -5.925 2.621 -0.592 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.813 0.853 -0.763 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.917 3.509 -3.427 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.821 4.151 -4.105 1.00 0.29 C ATOM 2978 C GLY B 85 -1.068 5.632 -4.290 1.00 0.28 C ATOM 2979 O GLY B 85 -0.269 6.449 -3.856 1.00 0.32 O ATOM 0 H GLY B 85 -2.368 2.764 -3.958 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.096 4.003 -3.535 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.670 3.683 -5.078 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.213 5.980 -4.872 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.496 7.372 -5.183 1.00 0.30 C ATOM 2985 C GLY B 86 -2.703 8.184 -3.927 1.00 0.29 C ATOM 2986 O GLY B 86 -2.387 9.373 -3.873 1.00 0.34 O ATOM 0 H GLY B 86 -2.949 5.324 -5.134 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.672 7.793 -5.759 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.386 7.433 -5.809 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.215 7.512 -2.914 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.415 8.100 -1.604 1.00 0.25 C ATOM 2992 C LEU B 87 -2.078 8.405 -0.964 1.00 0.26 C ATOM 2993 O LEU B 87 -1.777 9.553 -0.626 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.167 7.119 -0.715 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.669 7.005 -0.948 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.203 5.790 -0.217 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.382 8.261 -0.469 1.00 0.35 C ATOM 0 H LEU B 87 -3.506 6.536 -2.977 1.00 0.25 H new ATOM 0 HA LEU B 87 -3.988 9.021 -1.716 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.725 6.131 -0.847 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -4.004 7.405 0.324 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.854 6.894 -2.016 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.277 5.708 -0.383 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.709 4.894 -0.591 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -6.008 5.893 0.850 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.453 8.160 -0.644 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.200 8.399 0.597 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -6.005 9.125 -1.016 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.276 7.358 -0.818 1.00 0.25 N ATOM 3010 CA ALA B 88 0.026 7.462 -0.194 1.00 0.27 C ATOM 3011 C ALA B 88 0.883 8.465 -0.908 1.00 0.29 C ATOM 3012 O ALA B 88 1.587 9.242 -0.287 1.00 0.35 O ATOM 3013 CB ALA B 88 0.737 6.129 -0.209 1.00 0.26 C ATOM 0 H ALA B 88 -1.514 6.417 -1.130 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.134 7.783 0.835 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.713 6.232 0.265 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.144 5.394 0.336 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.867 5.798 -1.239 1.00 0.26 H new ATOM 3019 N MET B 89 0.823 8.424 -2.220 1.00 0.29 N ATOM 3020 CA MET B 89 1.608 9.310 -3.044 1.00 0.32 C ATOM 3021 C MET B 89 1.245 10.761 -2.783 1.00 0.34 C ATOM 3022 O MET B 89 2.115 11.622 -2.725 1.00 0.39 O ATOM 3023 CB MET B 89 1.406 8.966 -4.510 1.00 0.34 C ATOM 3024 CG MET B 89 2.080 7.669 -4.913 1.00 0.42 C ATOM 3025 SD MET B 89 1.979 7.362 -6.685 1.00 1.03 S ATOM 3026 CE MET B 89 2.774 8.830 -7.336 1.00 1.89 C ATOM 0 H MET B 89 0.231 7.778 -2.742 1.00 0.29 H new ATOM 0 HA MET B 89 2.660 9.178 -2.790 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.338 8.893 -4.717 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.795 9.778 -5.125 1.00 0.34 H new ATOM 0 HG2 MET B 89 3.127 7.698 -4.612 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.617 6.841 -4.377 1.00 0.42 H new ATOM 0 HE1 MET B 89 3.138 8.630 -8.344 1.00 1.89 H new ATOM 0 HE2 MET B 89 2.056 9.650 -7.366 1.00 1.89 H new ATOM 0 HE3 MET B 89 3.612 9.105 -6.695 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.039 11.018 -2.587 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.512 12.366 -2.327 1.00 0.39 C ATOM 3038 C ALA B 90 -0.081 12.819 -0.939 1.00 0.42 C ATOM 3039 O ALA B 90 0.342 13.957 -0.743 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.024 12.423 -2.464 1.00 0.46 C ATOM 0 H ALA B 90 -0.772 10.309 -2.603 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.072 13.042 -3.060 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.369 13.438 -2.267 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.309 12.133 -3.475 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.480 11.739 -1.748 1.00 0.46 H new ATOM 3046 N CYS B 91 -0.170 11.906 0.018 1.00 0.41 N ATOM 3047 CA CYS B 91 0.206 12.190 1.396 1.00 0.47 C ATOM 3048 C CYS B 91 1.721 12.319 1.528 1.00 0.44 C ATOM 3049 O CYS B 91 2.223 13.112 2.317 1.00 0.51 O ATOM 3050 CB CYS B 91 -0.323 11.083 2.311 1.00 0.55 C ATOM 3051 SG CYS B 91 -2.110 10.836 2.194 1.00 1.76 S ATOM 0 H CYS B 91 -0.502 10.954 -0.137 1.00 0.41 H new ATOM 0 HA CYS B 91 -0.237 13.140 1.694 1.00 0.47 H new ATOM 0 HB2 CYS B 91 0.181 10.148 2.065 1.00 0.55 H new ATOM 0 HB3 CYS B 91 -0.065 11.322 3.343 1.00 0.55 H new ATOM 0 HG CYS B 91 -2.395 10.256 1.066 1.00 1.76 H new ATOM 3057 N HIS B 92 2.442 11.542 0.736 1.00 0.41 N ATOM 3058 CA HIS B 92 3.894 11.591 0.716 1.00 0.46 C ATOM 3059 C HIS B 92 4.344 12.874 0.049 1.00 0.45 C ATOM 3060 O HIS B 92 5.245 13.549 0.529 1.00 0.49 O ATOM 3061 CB HIS B 92 4.458 10.383 -0.033 1.00 0.54 C ATOM 3062 CG HIS B 92 5.950 10.277 0.011 1.00 1.21 C ATOM 3063 ND1 HIS B 92 6.745 10.343 -1.111 1.00 2.12 N ATOM 3064 CD2 HIS B 92 6.790 10.081 1.051 1.00 1.96 C ATOM 3065 CE1 HIS B 92 8.007 10.193 -0.763 1.00 2.74 C ATOM 3066 NE2 HIS B 92 8.063 10.033 0.546 1.00 2.62 N ATOM 0 H HIS B 92 2.039 10.862 0.091 1.00 0.41 H new ATOM 0 HA HIS B 92 4.266 11.565 1.740 1.00 0.46 H new ATOM 0 HB2 HIS B 92 4.028 9.475 0.389 1.00 0.54 H new ATOM 0 HB3 HIS B 92 4.139 10.433 -1.074 1.00 0.54 H new ATOM 0 HD2 HIS B 92 6.510 9.981 2.089 1.00 1.96 H new ATOM 0 HE1 HIS B 92 8.852 10.200 -1.435 1.00 2.74 H new ATOM 0 HE2 HIS B 92 8.914 9.896 1.092 1.00 2.62 H new ATOM 3075 N ASP B 93 3.691 13.203 -1.056 1.00 0.45 N ATOM 3076 CA ASP B 93 3.930 14.457 -1.753 1.00 0.52 C ATOM 3077 C ASP B 93 3.673 15.624 -0.804 1.00 0.56 C ATOM 3078 O ASP B 93 4.381 16.624 -0.819 1.00 0.65 O ATOM 3079 CB ASP B 93 3.019 14.544 -2.982 1.00 0.54 C ATOM 3080 CG ASP B 93 3.282 15.773 -3.833 1.00 0.92 C ATOM 3081 OD1 ASP B 93 4.285 15.784 -4.581 1.00 1.48 O ATOM 3082 OD2 ASP B 93 2.472 16.721 -3.777 1.00 1.74 O ATOM 0 H ASP B 93 2.984 12.611 -1.492 1.00 0.45 H new ATOM 0 HA ASP B 93 4.966 14.502 -2.087 1.00 0.52 H new ATOM 0 HB2 ASP B 93 3.156 13.651 -3.592 1.00 0.54 H new ATOM 0 HB3 ASP B 93 1.979 14.551 -2.656 1.00 0.54 H new ATOM 3087 N SER B 94 2.672 15.456 0.054 1.00 0.54 N ATOM 3088 CA SER B 94 2.349 16.441 1.075 1.00 0.60 C ATOM 3089 C SER B 94 3.437 16.490 2.138 1.00 0.63 C ATOM 3090 O SER B 94 3.843 17.562 2.571 1.00 0.70 O ATOM 3091 CB SER B 94 1.017 16.096 1.730 1.00 0.65 C ATOM 3092 OG SER B 94 -0.038 16.107 0.780 1.00 1.26 O ATOM 0 H SER B 94 2.065 14.636 0.060 1.00 0.54 H new ATOM 0 HA SER B 94 2.279 17.418 0.597 1.00 0.60 H new ATOM 0 HB2 SER B 94 1.081 15.112 2.195 1.00 0.65 H new ATOM 0 HB3 SER B 94 0.803 16.811 2.524 1.00 0.65 H new ATOM 0 HG SER B 94 0.059 15.342 0.175 1.00 1.26 H new ATOM 3098 N PHE B 95 3.895 15.315 2.548 1.00 0.60 N ATOM 3099 CA PHE B 95 4.947 15.187 3.549 1.00 0.67 C ATOM 3100 C PHE B 95 6.219 15.866 3.056 1.00 0.73 C ATOM 3101 O PHE B 95 6.935 16.510 3.823 1.00 0.84 O ATOM 3102 CB PHE B 95 5.204 13.704 3.827 1.00 0.64 C ATOM 3103 CG PHE B 95 6.089 13.437 5.010 1.00 0.78 C ATOM 3104 CD1 PHE B 95 5.640 13.691 6.295 1.00 1.29 C ATOM 3105 CD2 PHE B 95 7.361 12.917 4.839 1.00 1.80 C ATOM 3106 CE1 PHE B 95 6.444 13.432 7.388 1.00 1.76 C ATOM 3107 CE2 PHE B 95 8.172 12.658 5.928 1.00 2.35 C ATOM 3108 CZ PHE B 95 7.712 12.917 7.204 1.00 2.07 C ATOM 0 H PHE B 95 3.548 14.423 2.196 1.00 0.60 H new ATOM 0 HA PHE B 95 4.634 15.673 4.473 1.00 0.67 H new ATOM 0 HB2 PHE B 95 4.247 13.206 3.985 1.00 0.64 H new ATOM 0 HB3 PHE B 95 5.655 13.254 2.943 1.00 0.64 H new ATOM 0 HD1 PHE B 95 4.650 14.096 6.444 1.00 1.29 H new ATOM 0 HD2 PHE B 95 7.724 12.711 3.843 1.00 1.80 H new ATOM 0 HE1 PHE B 95 6.081 13.632 8.385 1.00 1.76 H new ATOM 0 HE2 PHE B 95 9.163 12.254 5.781 1.00 2.35 H new ATOM 0 HZ PHE B 95 8.343 12.717 8.057 1.00 2.07 H new ATOM 3118 N LEU B 96 6.475 15.729 1.764 1.00 0.69 N ATOM 3119 CA LEU B 96 7.616 16.364 1.119 1.00 0.81 C ATOM 3120 C LEU B 96 7.435 17.876 1.068 1.00 0.91 C ATOM 3121 O LEU B 96 8.400 18.635 1.146 1.00 1.09 O ATOM 3122 CB LEU B 96 7.800 15.803 -0.295 1.00 0.83 C ATOM 3123 CG LEU B 96 8.686 14.556 -0.413 1.00 0.87 C ATOM 3124 CD1 LEU B 96 10.146 14.919 -0.222 1.00 1.22 C ATOM 3125 CD2 LEU B 96 8.279 13.491 0.594 1.00 1.08 C ATOM 0 H LEU B 96 5.898 15.174 1.132 1.00 0.69 H new ATOM 0 HA LEU B 96 8.509 16.147 1.705 1.00 0.81 H new ATOM 0 HB2 LEU B 96 6.817 15.566 -0.701 1.00 0.83 H new ATOM 0 HB3 LEU B 96 8.224 16.586 -0.923 1.00 0.83 H new ATOM 0 HG LEU B 96 8.550 14.148 -1.415 1.00 0.87 H new ATOM 0 HD11 LEU B 96 10.758 14.022 -0.309 1.00 1.22 H new ATOM 0 HD12 LEU B 96 10.445 15.638 -0.985 1.00 1.22 H new ATOM 0 HD13 LEU B 96 10.285 15.359 0.766 1.00 1.22 H new ATOM 0 HD21 LEU B 96 8.926 12.621 0.485 1.00 1.08 H new ATOM 0 HD22 LEU B 96 8.375 13.890 1.604 1.00 1.08 H new ATOM 0 HD23 LEU B 96 7.244 13.199 0.416 1.00 1.08 H new ATOM 3137 N LYS B 97 6.185 18.302 0.952 1.00 0.83 N ATOM 3138 CA LYS B 97 5.845 19.719 0.943 1.00 0.94 C ATOM 3139 C LYS B 97 5.572 20.213 2.359 1.00 0.98 C ATOM 3140 O LYS B 97 5.070 21.317 2.559 1.00 1.14 O ATOM 3141 CB LYS B 97 4.621 19.961 0.062 1.00 0.94 C ATOM 3142 CG LYS B 97 4.857 19.638 -1.405 1.00 0.99 C ATOM 3143 CD LYS B 97 3.587 19.785 -2.227 1.00 1.25 C ATOM 3144 CE LYS B 97 2.445 18.980 -1.631 1.00 2.06 C ATOM 3145 NZ LYS B 97 1.312 18.836 -2.579 1.00 2.65 N ATOM 0 H LYS B 97 5.382 17.680 0.862 1.00 0.83 H new ATOM 0 HA LYS B 97 6.691 20.274 0.537 1.00 0.94 H new ATOM 0 HB2 LYS B 97 3.793 19.356 0.430 1.00 0.94 H new ATOM 0 HB3 LYS B 97 4.319 21.004 0.152 1.00 0.94 H new ATOM 0 HG2 LYS B 97 5.626 20.299 -1.804 1.00 0.99 H new ATOM 0 HG3 LYS B 97 5.233 18.619 -1.497 1.00 0.99 H new ATOM 0 HD2 LYS B 97 3.305 20.837 -2.279 1.00 1.25 H new ATOM 0 HD3 LYS B 97 3.773 19.454 -3.249 1.00 1.25 H new ATOM 0 HE2 LYS B 97 2.808 17.992 -1.347 1.00 2.06 H new ATOM 0 HE3 LYS B 97 2.096 19.466 -0.720 1.00 2.06 H new ATOM 0 HZ1 LYS B 97 0.468 18.512 -2.065 1.00 2.65 H new ATOM 0 HZ2 LYS B 97 1.114 19.754 -3.025 1.00 2.65 H new ATOM 0 HZ3 LYS B 97 1.559 18.141 -3.312 1.00 2.65 H new ATOM 3159 N ALA B 98 5.894 19.383 3.339 1.00 0.99 N ATOM 3160 CA ALA B 98 5.680 19.730 4.731 1.00 1.07 C ATOM 3161 C ALA B 98 6.992 19.692 5.499 1.00 1.10 C ATOM 3162 O ALA B 98 7.551 20.733 5.843 1.00 1.24 O ATOM 3163 CB ALA B 98 4.661 18.794 5.366 1.00 1.01 C ATOM 0 H ALA B 98 6.306 18.461 3.193 1.00 0.99 H new ATOM 0 HA ALA B 98 5.286 20.745 4.774 1.00 1.07 H new ATOM 0 HB1 ALA B 98 4.514 19.070 6.410 1.00 1.01 H new ATOM 0 HB2 ALA B 98 3.713 18.872 4.833 1.00 1.01 H new ATOM 0 HB3 ALA B 98 5.025 17.768 5.310 1.00 1.01 H new ATOM 3169 N VAL B 99 7.491 18.486 5.732 1.00 1.01 N ATOM 3170 CA VAL B 99 8.737 18.289 6.456 1.00 1.07 C ATOM 3171 C VAL B 99 9.181 16.824 6.354 1.00 1.01 C ATOM 3172 O VAL B 99 8.925 15.996 7.231 1.00 1.02 O ATOM 3173 CB VAL B 99 8.626 18.742 7.933 1.00 1.17 C ATOM 3174 CG1 VAL B 99 7.472 18.050 8.642 1.00 1.14 C ATOM 3175 CG2 VAL B 99 9.941 18.507 8.662 1.00 1.25 C ATOM 0 H VAL B 99 7.045 17.621 5.426 1.00 1.01 H new ATOM 0 HA VAL B 99 9.498 18.917 5.992 1.00 1.07 H new ATOM 0 HB VAL B 99 8.416 19.812 7.943 1.00 1.17 H new ATOM 0 HG11 VAL B 99 7.423 18.391 9.676 1.00 1.14 H new ATOM 0 HG12 VAL B 99 6.537 18.291 8.136 1.00 1.14 H new ATOM 0 HG13 VAL B 99 7.627 16.971 8.623 1.00 1.14 H new ATOM 0 HG21 VAL B 99 9.845 18.831 9.698 1.00 1.25 H new ATOM 0 HG22 VAL B 99 10.187 17.446 8.635 1.00 1.25 H new ATOM 0 HG23 VAL B 99 10.733 19.076 8.176 1.00 1.25 H new ATOM 3185 N PRO B 100 9.850 16.489 5.252 1.00 1.01 N ATOM 3186 CA PRO B 100 10.282 15.131 4.963 1.00 1.02 C ATOM 3187 C PRO B 100 11.660 14.835 5.531 1.00 1.28 C ATOM 3188 O PRO B 100 12.170 13.720 5.415 1.00 1.60 O ATOM 3189 CB PRO B 100 10.294 15.118 3.441 1.00 1.04 C ATOM 3190 CG PRO B 100 10.682 16.512 3.056 1.00 1.04 C ATOM 3191 CD PRO B 100 10.238 17.419 4.181 1.00 1.07 C ATOM 0 HA PRO B 100 9.640 14.371 5.408 1.00 1.02 H new ATOM 0 HB2 PRO B 100 11.006 14.388 3.056 1.00 1.04 H new ATOM 0 HB3 PRO B 100 9.316 14.853 3.039 1.00 1.04 H new ATOM 0 HG2 PRO B 100 11.759 16.585 2.904 1.00 1.04 H new ATOM 0 HG3 PRO B 100 10.207 16.800 2.118 1.00 1.04 H new ATOM 0 HD2 PRO B 100 11.042 18.083 4.500 1.00 1.07 H new ATOM 0 HD3 PRO B 100 9.403 18.051 3.879 1.00 1.07 H new ATOM 3199 N SER B 101 12.249 15.839 6.155 1.00 1.57 N ATOM 3200 CA SER B 101 13.534 15.686 6.805 1.00 1.88 C ATOM 3201 C SER B 101 13.341 15.177 8.229 1.00 1.62 C ATOM 3202 O SER B 101 13.796 15.791 9.190 1.00 1.94 O ATOM 3203 CB SER B 101 14.274 17.026 6.803 1.00 2.76 C ATOM 3204 OG SER B 101 14.458 17.496 5.476 1.00 3.39 O ATOM 0 H SER B 101 11.852 16.776 6.224 1.00 1.57 H new ATOM 0 HA SER B 101 14.132 14.956 6.259 1.00 1.88 H new ATOM 0 HB2 SER B 101 13.710 17.760 7.379 1.00 2.76 H new ATOM 0 HB3 SER B 101 15.242 16.913 7.292 1.00 2.76 H new ATOM 0 HG SER B 101 15.064 16.893 4.997 1.00 3.39 H new ATOM 3210 N GLN B 102 12.634 14.061 8.357 1.00 1.61 N ATOM 3211 CA GLN B 102 12.407 13.459 9.662 1.00 2.12 C ATOM 3212 C GLN B 102 13.723 13.003 10.283 1.00 2.74 C ATOM 3213 O GLN B 102 14.537 12.347 9.627 1.00 3.39 O ATOM 3214 CB GLN B 102 11.428 12.285 9.563 1.00 2.47 C ATOM 3215 CG GLN B 102 11.814 11.236 8.532 1.00 3.01 C ATOM 3216 CD GLN B 102 10.959 9.988 8.633 1.00 3.87 C ATOM 3217 OE1 GLN B 102 11.305 9.040 9.337 1.00 4.45 O ATOM 3218 NE2 GLN B 102 9.829 9.986 7.943 1.00 4.44 N ATOM 0 H GLN B 102 12.211 13.558 7.577 1.00 1.61 H new ATOM 0 HA GLN B 102 11.965 14.218 10.307 1.00 2.12 H new ATOM 0 HB2 GLN B 102 11.351 11.807 10.540 1.00 2.47 H new ATOM 0 HB3 GLN B 102 10.439 12.671 9.319 1.00 2.47 H new ATOM 0 HG2 GLN B 102 11.718 11.660 7.532 1.00 3.01 H new ATOM 0 HG3 GLN B 102 12.862 10.967 8.665 1.00 3.01 H new ATOM 0 HE21 GLN B 102 9.579 10.793 7.371 1.00 4.44 H new ATOM 0 HE22 GLN B 102 9.208 9.178 7.983 1.00 4.44 H new ATOM 3227 N LYS B 103 13.926 13.379 11.545 1.00 3.15 N ATOM 3228 CA LYS B 103 15.124 13.004 12.297 1.00 4.07 C ATOM 3229 C LYS B 103 16.390 13.554 11.640 1.00 4.57 C ATOM 3230 O LYS B 103 17.397 12.855 11.519 1.00 5.24 O ATOM 3231 CB LYS B 103 15.221 11.479 12.436 1.00 4.74 C ATOM 3232 CG LYS B 103 14.055 10.846 13.181 1.00 5.31 C ATOM 3233 CD LYS B 103 13.952 11.362 14.607 1.00 6.26 C ATOM 3234 CE LYS B 103 12.844 10.660 15.374 1.00 6.83 C ATOM 3235 NZ LYS B 103 12.744 11.153 16.771 1.00 7.43 N ATOM 0 H LYS B 103 13.267 13.950 12.074 1.00 3.15 H new ATOM 0 HA LYS B 103 15.039 13.444 13.291 1.00 4.07 H new ATOM 0 HB2 LYS B 103 15.285 11.038 11.441 1.00 4.74 H new ATOM 0 HB3 LYS B 103 16.147 11.231 12.955 1.00 4.74 H new ATOM 0 HG2 LYS B 103 13.127 11.056 12.650 1.00 5.31 H new ATOM 0 HG3 LYS B 103 14.176 9.763 13.194 1.00 5.31 H new ATOM 0 HD2 LYS B 103 14.902 11.212 15.119 1.00 6.26 H new ATOM 0 HD3 LYS B 103 13.763 12.435 14.594 1.00 6.26 H new ATOM 0 HE2 LYS B 103 11.893 10.816 14.864 1.00 6.83 H new ATOM 0 HE3 LYS B 103 13.030 9.586 15.380 1.00 6.83 H new ATOM 0 HZ1 LYS B 103 11.977 10.651 17.262 1.00 7.43 H new ATOM 0 HZ2 LYS B 103 13.643 10.981 17.265 1.00 7.43 H new ATOM 0 HZ3 LYS B 103 12.542 12.173 16.765 1.00 7.43 H new ATOM 3249 N ARG B 104 16.335 14.815 11.224 1.00 4.69 N ATOM 3250 CA ARG B 104 17.472 15.450 10.569 1.00 5.54 C ATOM 3251 C ARG B 104 18.462 16.005 11.589 1.00 5.67 C ATOM 3252 O ARG B 104 19.568 16.413 11.238 1.00 5.97 O ATOM 3253 CB ARG B 104 17.000 16.553 9.604 1.00 6.11 C ATOM 3254 CG ARG B 104 16.020 17.562 10.204 1.00 6.81 C ATOM 3255 CD ARG B 104 16.704 18.577 11.105 1.00 7.63 C ATOM 3256 NE ARG B 104 17.642 19.422 10.370 1.00 8.12 N ATOM 3257 CZ ARG B 104 18.596 20.150 10.946 1.00 8.95 C ATOM 3258 NH1 ARG B 104 18.772 20.103 12.262 1.00 9.34 N ATOM 3259 NH2 ARG B 104 19.379 20.920 10.204 1.00 9.59 N ATOM 0 H ARG B 104 15.517 15.416 11.329 1.00 4.69 H new ATOM 0 HA ARG B 104 17.990 14.687 9.988 1.00 5.54 H new ATOM 0 HB2 ARG B 104 17.874 17.092 9.237 1.00 6.11 H new ATOM 0 HB3 ARG B 104 16.530 16.082 8.740 1.00 6.11 H new ATOM 0 HG2 ARG B 104 15.505 18.086 9.399 1.00 6.81 H new ATOM 0 HG3 ARG B 104 15.260 17.029 10.775 1.00 6.81 H new ATOM 0 HD2 ARG B 104 15.950 19.203 11.582 1.00 7.63 H new ATOM 0 HD3 ARG B 104 17.235 18.055 11.901 1.00 7.63 H new ATOM 0 HE ARG B 104 17.561 19.456 9.354 1.00 8.12 H new ATOM 0 HH11 ARG B 104 18.175 19.507 12.835 1.00 9.34 H new ATOM 0 HH12 ARG B 104 19.504 20.663 12.699 1.00 9.34 H new ATOM 0 HH21 ARG B 104 19.250 20.954 9.193 1.00 9.59 H new ATOM 0 HH22 ARG B 104 20.110 21.478 10.644 1.00 9.59 H new ATOM 3273 N THR B 105 18.060 16.026 12.851 1.00 5.80 N ATOM 3274 CA THR B 105 18.921 16.514 13.911 1.00 6.20 C ATOM 3275 C THR B 105 19.502 15.341 14.696 1.00 6.46 C ATOM 3276 O THR B 105 18.782 14.780 15.550 1.00 6.81 O ATOM 3277 CB THR B 105 18.160 17.451 14.868 1.00 6.59 C ATOM 3278 OG1 THR B 105 17.418 18.422 14.115 1.00 6.66 O ATOM 3279 CG2 THR B 105 19.121 18.168 15.806 1.00 7.01 C ATOM 3280 OXT THR B 105 20.673 14.978 14.449 1.00 6.62 O ATOM 0 H THR B 105 17.142 15.710 13.163 1.00 5.80 H new ATOM 0 HA THR B 105 19.729 17.081 13.449 1.00 6.20 H new ATOM 0 HB THR B 105 17.477 16.845 15.463 1.00 6.59 H new ATOM 0 HG1 THR B 105 17.462 19.290 14.568 1.00 6.66 H new ATOM 0 HG21 THR B 105 18.559 18.823 16.471 1.00 7.01 H new ATOM 0 HG22 THR B 105 19.668 17.434 16.397 1.00 7.01 H new ATOM 0 HG23 THR B 105 19.825 18.761 15.222 1.00 7.01 H new TER 3288 THR B 105