Browse entries in the PDBbind-CN Database
HEADER 4OSF_COMPLEX COMPND 4OSF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 PRO MET PHE ILE VAL ASN THR ASN VAL PRO ARG ALA SER SEQRES 2 A 114 VAL PRO ASP GLY PHE LEU SER GLU LEU THR GLN GLN LEU SEQRES 3 A 114 ALA GLN ALA THR GLY LYS PRO PRO GLN TYR ILE ALA VAL SEQRES 4 A 114 HIS VAL VAL PRO ASP GLN LEU MET ALA PHE GLY GLY SER SEQRES 5 A 114 SER GLU PRO CYS ALA LEU CYS SER LEU HIS SER ILE GLY SEQRES 6 A 114 LYS ILE GLY GLY ALA GLN ASN ARG SER TYR SER LYS LEU SEQRES 7 A 114 LEU CYS GLY LEU LEU ALA GLU ARG LEU ARG ILE SER PRO SEQRES 8 A 114 ASP ARG VAL TYR ILE ASN TYR TYR ASP MET ASN ALA ALA SEQRES 9 A 114 ASN VAL GLY TRP ASN ASN SER THR PHE ALA SEQRES 1 B 114 PRO MET PHE ILE VAL ASN THR ASN VAL PRO ARG ALA SER SEQRES 2 B 114 VAL PRO ASP GLY PHE LEU SER GLU LEU THR GLN GLN LEU SEQRES 3 B 114 ALA GLN ALA THR GLY LYS PRO PRO GLN TYR ILE ALA VAL SEQRES 4 B 114 HIS VAL VAL PRO ASP GLN LEU MET ALA PHE GLY GLY SER SEQRES 5 B 114 SER GLU PRO CYS ALA LEU CYS SER LEU HIS SER ILE GLY SEQRES 6 B 114 LYS ILE GLY GLY ALA GLN ASN ARG SER TYR SER LYS LEU SEQRES 7 B 114 LEU CYS GLY LEU LEU ALA GLU ARG LEU ARG ILE SER PRO SEQRES 8 B 114 ASP ARG VAL TYR ILE ASN TYR TYR ASP MET ASN ALA ALA SEQRES 9 B 114 ASN VAL GLY TRP ASN ASN SER THR PHE ALA SEQRES 1 C 114 PRO MET PHE ILE VAL ASN THR ASN VAL PRO ARG ALA SER SEQRES 2 C 114 VAL PRO ASP GLY PHE LEU SER GLU LEU THR GLN GLN LEU SEQRES 3 C 114 ALA GLN ALA THR GLY LYS PRO PRO GLN TYR ILE ALA VAL SEQRES 4 C 114 HIS VAL VAL PRO ASP GLN LEU MET ALA PHE GLY GLY SER SEQRES 5 C 114 SER GLU PRO CYS ALA LEU CYS SER LEU HIS SER ILE GLY SEQRES 6 C 114 LYS ILE GLY GLY ALA GLN ASN ARG SER TYR SER LYS LEU SEQRES 7 C 114 LEU CYS GLY LEU LEU ALA GLU ARG LEU ARG ILE SER PRO SEQRES 8 C 114 ASP ARG VAL TYR ILE ASN TYR TYR ASP MET ASN ALA ALA SEQRES 9 C 114 ASN VAL GLY TRP ASN ASN SER THR PHE ALA HET UNN A 565 23 ATOM 1 N PRO A 2 55.206 -10.276 -7.536 1.00 22.91 N ATOM 2 CA PRO A 2 54.325 -9.892 -6.427 1.00 19.45 C ATOM 3 C PRO A 2 52.836 -9.854 -6.632 1.00 16.79 C ATOM 4 O PRO A 2 52.306 -9.933 -7.738 1.00 19.87 O ATOM 5 CB PRO A 2 54.830 -8.482 -6.076 1.00 23.08 C ATOM 6 CG PRO A 2 55.480 -7.987 -7.327 1.00 27.04 C ATOM 7 CD PRO A 2 56.145 -9.201 -7.898 1.00 22.40 C ATOM 8 HN2 PRO A 2 54.621 -10.504 -8.365 1.00 0.00 H ATOM 9 HN1 PRO A 2 55.751 -11.117 -7.256 1.00 0.00 H ATOM 10 N MET A 3 52.153 -9.733 -5.503 1.00 16.09 N ATOM 11 CA MET A 3 50.729 -9.466 -5.526 1.00 17.24 C ATOM 12 C MET A 3 50.426 -8.306 -4.600 1.00 19.04 C ATOM 13 O MET A 3 50.986 -8.188 -3.514 1.00 18.51 O ATOM 14 CB MET A 3 49.914 -10.711 -5.150 1.00 19.68 C ATOM 15 CG MET A 3 50.236 -11.326 -3.818 1.00 22.61 C ATOM 16 SD MET A 3 49.103 -12.726 -3.504 1.00 27.75 S ATOM 17 CE MET A 3 47.730 -11.882 -2.768 1.00 19.29 C ATOM 18 H MET A 3 52.644 -9.831 -4.591 1.00 0.00 H ATOM 19 N PHE A 4 49.523 -7.449 -5.052 1.00 18.18 N ATOM 20 CA PHE A 4 49.221 -6.213 -4.372 1.00 18.44 C ATOM 21 C PHE A 4 47.725 -6.110 -4.158 1.00 16.06 C ATOM 22 O PHE A 4 46.953 -6.299 -5.093 1.00 18.67 O ATOM 23 CB PHE A 4 49.720 -5.020 -5.189 1.00 17.59 C ATOM 24 CG PHE A 4 49.500 -3.699 -4.518 1.00 16.51 C ATOM 25 CD1 PHE A 4 50.082 -3.426 -3.290 1.00 18.78 C ATOM 26 CD2 PHE A 4 48.718 -2.735 -5.120 1.00 22.49 C ATOM 27 CE1 PHE A 4 49.875 -2.204 -2.669 1.00 18.67 C ATOM 28 CE2 PHE A 4 48.526 -1.511 -4.522 1.00 20.22 C ATOM 29 CZ PHE A 4 49.091 -1.248 -3.282 1.00 22.48 C ATOM 30 H PHE A 4 49.013 -7.675 -5.930 1.00 0.00 H ATOM 31 N ILE A 5 47.329 -5.818 -2.923 1.00 17.13 N ATOM 32 CA ILE A 5 45.923 -5.643 -2.575 1.00 15.23 C ATOM 33 C ILE A 5 45.703 -4.291 -1.929 1.00 19.36 C ATOM 34 O ILE A 5 46.463 -3.895 -1.048 1.00 19.23 O ATOM 35 CB ILE A 5 45.440 -6.739 -1.605 1.00 16.71 C ATOM 36 CG1 ILE A 5 45.788 -8.124 -2.163 1.00 20.76 C ATOM 37 CG2 ILE A 5 43.932 -6.614 -1.313 1.00 18.31 C ATOM 38 CD1 ILE A 5 45.702 -9.223 -1.115 1.00 22.03 C ATOM 39 H ILE A 5 48.047 -5.710 -2.178 1.00 0.00 H ATOM 40 N VAL A 6 44.667 -3.582 -2.370 1.00 16.88 N ATOM 41 CA VAL A 6 44.254 -2.304 -1.785 1.00 16.18 C ATOM 42 C VAL A 6 42.822 -2.386 -1.308 1.00 17.23 C ATOM 43 O VAL A 6 41.947 -2.688 -2.120 1.00 19.75 O ATOM 44 CB VAL A 6 44.304 -1.139 -2.795 1.00 17.63 C ATOM 45 CG1 VAL A 6 43.737 0.147 -2.171 1.00 18.91 C ATOM 46 CG2 VAL A 6 45.674 -0.910 -3.274 1.00 16.60 C ATOM 47 H VAL A 6 44.121 -3.955 -3.173 1.00 0.00 H ATOM 48 N ASN A 7 42.577 -2.123 -0.025 1.00 17.35 N ATOM 49 CA ASN A 7 41.235 -1.922 0.500 1.00 17.87 C ATOM 50 C ASN A 7 41.052 -0.431 0.796 1.00 15.63 C ATOM 51 O ASN A 7 41.917 0.189 1.407 1.00 18.46 O ATOM 52 CB ASN A 7 41.007 -2.742 1.765 1.00 17.85 C ATOM 53 CG ASN A 7 40.650 -4.186 1.465 1.00 24.15 C ATOM 54 OD1 ASN A 7 39.476 -4.531 1.333 1.00 27.26 O ATOM 55 ND2 ASN A 7 41.656 -5.025 1.347 1.00 26.96 N ATOM 56 HD22 ASN A 7 42.632 -4.687 1.467 1.00 0.00 H ATOM 57 HD21 ASN A 7 41.475 -6.027 1.133 1.00 0.00 H ATOM 58 H ASN A 7 43.381 -2.058 0.631 1.00 0.00 H ATOM 59 N THR A 8 39.945 0.149 0.365 1.00 16.51 N ATOM 60 CA THR A 8 39.783 1.593 0.511 1.00 16.17 C ATOM 61 C THR A 8 38.318 1.965 0.635 1.00 22.92 C ATOM 62 O THR A 8 37.447 1.239 0.165 1.00 17.77 O ATOM 63 CB THR A 8 40.421 2.352 -0.685 1.00 19.96 C ATOM 64 OG1 THR A 8 40.244 3.763 -0.522 1.00 19.06 O ATOM 65 CG2 THR A 8 39.785 1.922 -1.995 1.00 16.90 C ATOM 66 HG1 THR A 8 40.679 4.054 0.318 1.00 0.00 H ATOM 67 H THR A 8 39.194 -0.420 -0.075 1.00 0.00 H ATOM 68 N ASN A 9 38.050 3.101 1.272 1.00 20.75 N ATOM 69 CA ASN A 9 36.685 3.583 1.381 1.00 19.61 C ATOM 70 C ASN A 9 36.296 4.497 0.213 1.00 24.39 C ATOM 71 O ASN A 9 35.161 4.967 0.126 1.00 21.02 O ATOM 72 CB ASN A 9 36.479 4.290 2.725 1.00 19.97 C ATOM 73 CG ASN A 9 37.510 5.373 2.993 1.00 20.54 C ATOM 74 OD1 ASN A 9 38.473 5.531 2.256 1.00 18.38 O ATOM 75 ND2 ASN A 9 37.308 6.117 4.072 1.00 21.61 N ATOM 76 HD22 ASN A 9 36.475 5.948 4.671 1.00 0.00 H ATOM 77 HD21 ASN A 9 37.983 6.869 4.319 1.00 0.00 H ATOM 78 H ASN A 9 38.825 3.649 1.696 1.00 0.00 H ATOM 79 N VAL A 10 37.243 4.739 -0.687 1.00 20.02 N ATOM 80 CA VAL A 10 36.957 5.439 -1.937 1.00 21.93 C ATOM 81 C VAL A 10 35.911 4.652 -2.743 1.00 24.25 C ATOM 82 O VAL A 10 35.978 3.436 -2.817 1.00 23.32 O ATOM 83 CB VAL A 10 38.262 5.635 -2.746 1.00 24.21 C ATOM 84 CG1 VAL A 10 37.972 6.077 -4.163 1.00 27.27 C ATOM 85 CG2 VAL A 10 39.174 6.638 -2.024 1.00 25.65 C ATOM 86 H VAL A 10 38.215 4.421 -0.496 1.00 0.00 H ATOM 87 N PRO A 11 34.901 5.338 -3.303 1.00 24.46 N ATOM 88 CA PRO A 11 33.865 4.612 -4.056 1.00 25.82 C ATOM 89 C PRO A 11 34.365 3.978 -5.357 1.00 25.25 C ATOM 90 O PRO A 11 35.354 4.428 -5.928 1.00 24.15 O ATOM 91 CB PRO A 11 32.816 5.693 -4.353 1.00 28.65 C ATOM 92 CG PRO A 11 33.516 6.991 -4.151 1.00 31.37 C ATOM 93 CD PRO A 11 34.562 6.756 -3.108 1.00 24.20 C ATOM 94 N ARG A 12 33.670 2.938 -5.816 1.00 22.31 N ATOM 95 CA ARG A 12 34.082 2.205 -7.012 1.00 24.09 C ATOM 96 C ARG A 12 34.168 3.116 -8.232 1.00 27.53 C ATOM 97 O ARG A 12 35.074 2.973 -9.047 1.00 26.11 O ATOM 98 CB ARG A 12 33.127 1.034 -7.285 1.00 25.71 C ATOM 99 CG ARG A 12 31.663 1.420 -7.488 1.00 38.73 C ATOM 100 CD ARG A 12 30.807 0.179 -7.749 1.00 50.62 C ATOM 101 NE ARG A 12 29.432 0.505 -8.127 1.00 57.96 N ATOM 102 CZ ARG A 12 28.458 0.756 -7.258 1.00 60.48 C ATOM 103 NH1 ARG A 12 28.705 0.730 -5.954 1.00 56.67 N ATOM 104 NH2 ARG A 12 27.236 1.040 -7.692 1.00 65.77 N ATOM 105 HE ARG A 12 29.202 0.543 -9.140 1.00 0.00 H ATOM 106 HH12 ARG A 12 27.941 0.927 -5.276 1.00 0.00 H ATOM 107 HH11 ARG A 12 29.662 0.513 -5.610 1.00 0.00 H ATOM 108 HH22 ARG A 12 26.475 1.236 -7.011 1.00 0.00 H ATOM 109 HH21 ARG A 12 27.040 1.066 -8.713 1.00 0.00 H ATOM 110 H ARG A 12 32.812 2.640 -5.310 1.00 0.00 H ATOM 111 N ALA A 13 33.247 4.071 -8.338 1.00 27.10 N ATOM 112 CA ALA A 13 33.217 4.968 -9.492 1.00 30.50 C ATOM 113 C ALA A 13 34.450 5.876 -9.549 1.00 27.65 C ATOM 114 O ALA A 13 34.784 6.413 -10.608 1.00 31.65 O ATOM 115 CB ALA A 13 31.933 5.810 -9.478 1.00 31.54 C ATOM 116 H ALA A 13 32.536 4.181 -7.587 1.00 0.00 H ATOM 117 N SER A 14 35.134 6.034 -8.417 1.00 22.40 N ATOM 118 CA SER A 14 36.350 6.844 -8.352 1.00 23.27 C ATOM 119 C SER A 14 37.619 6.037 -8.634 1.00 24.22 C ATOM 120 O SER A 14 38.719 6.592 -8.650 1.00 24.77 O ATOM 121 CB SER A 14 36.478 7.514 -6.981 1.00 26.78 C ATOM 122 OG SER A 14 35.444 8.459 -6.769 1.00 34.46 O ATOM 123 HG SER A 14 35.555 8.873 -5.877 1.00 0.00 H ATOM 124 H SER A 14 34.793 5.567 -7.553 1.00 0.00 H ATOM 125 N VAL A 15 37.475 4.729 -8.831 1.00 22.42 N ATOM 126 CA VAL A 15 38.617 3.906 -9.227 1.00 17.88 C ATOM 127 C VAL A 15 38.749 3.919 -10.740 1.00 19.66 C ATOM 128 O VAL A 15 37.878 3.409 -11.431 1.00 20.93 O ATOM 129 CB VAL A 15 38.478 2.437 -8.759 1.00 19.26 C ATOM 130 CG1 VAL A 15 39.663 1.605 -9.242 1.00 22.41 C ATOM 131 CG2 VAL A 15 38.305 2.357 -7.231 1.00 23.09 C ATOM 132 H VAL A 15 36.542 4.288 -8.702 1.00 0.00 H ATOM 133 N PRO A 16 39.836 4.504 -11.259 1.00 20.90 N ATOM 134 CA PRO A 16 39.980 4.579 -12.721 1.00 21.38 C ATOM 135 C PRO A 16 40.025 3.190 -13.356 1.00 25.20 C ATOM 136 O PRO A 16 40.545 2.258 -12.731 1.00 20.91 O ATOM 137 CB PRO A 16 41.307 5.325 -12.916 1.00 21.91 C ATOM 138 CG PRO A 16 41.583 6.015 -11.589 1.00 22.34 C ATOM 139 CD PRO A 16 40.941 5.164 -10.536 1.00 22.29 C ATOM 140 N ASP A 17 39.480 3.045 -14.563 1.00 22.61 N ATOM 141 CA ASP A 17 39.426 1.736 -15.216 1.00 26.15 C ATOM 142 C ASP A 17 40.823 1.167 -15.478 1.00 23.27 C ATOM 143 O ASP A 17 41.002 -0.048 -15.516 1.00 24.66 O ATOM 144 CB ASP A 17 38.654 1.808 -16.540 1.00 31.85 C ATOM 145 CG ASP A 17 37.140 1.839 -16.346 1.00 33.76 C ATOM 146 OD1 ASP A 17 36.664 1.546 -15.232 1.00 33.52 O ATOM 147 OD2 ASP A 17 36.426 2.154 -17.319 1.00 44.59 O ATOM 148 H ASP A 17 39.086 3.876 -15.049 1.00 0.00 H ATOM 149 N GLY A 18 41.804 2.045 -15.647 1.00 19.76 N ATOM 150 CA GLY A 18 43.162 1.608 -15.929 1.00 18.98 C ATOM 151 C GLY A 18 44.052 1.414 -14.716 1.00 19.60 C ATOM 152 O GLY A 18 45.248 1.125 -14.861 1.00 17.10 O ATOM 153 H GLY A 18 41.598 3.062 -15.577 1.00 0.00 H ATOM 154 N PHE A 19 43.484 1.555 -13.522 1.00 19.34 N ATOM 155 CA PHE A 19 44.293 1.517 -12.307 1.00 18.54 C ATOM 156 C PHE A 19 44.971 0.154 -12.098 1.00 19.17 C ATOM 157 O PHE A 19 46.152 0.100 -11.756 1.00 17.62 O ATOM 158 CB PHE A 19 43.444 1.882 -11.089 1.00 17.90 C ATOM 159 CG PHE A 19 44.247 2.175 -9.846 1.00 18.66 C ATOM 160 CD1 PHE A 19 45.358 2.993 -9.895 1.00 23.51 C ATOM 161 CD2 PHE A 19 43.859 1.660 -8.618 1.00 21.19 C ATOM 162 CE1 PHE A 19 46.086 3.280 -8.745 1.00 22.18 C ATOM 163 CE2 PHE A 19 44.583 1.947 -7.468 1.00 27.45 C ATOM 164 CZ PHE A 19 45.696 2.763 -7.540 1.00 20.59 C ATOM 165 H PHE A 19 42.456 1.693 -13.453 1.00 0.00 H ATOM 166 N LEU A 20 44.240 -0.939 -12.312 1.00 18.31 N ATOM 167 CA LEU A 20 44.832 -2.266 -12.120 1.00 20.77 C ATOM 168 C LEU A 20 45.993 -2.488 -13.075 1.00 20.64 C ATOM 169 O LEU A 20 47.005 -3.054 -12.691 1.00 17.35 O ATOM 170 CB LEU A 20 43.799 -3.381 -12.317 1.00 21.76 C ATOM 171 CG LEU A 20 42.638 -3.482 -11.330 1.00 25.55 C ATOM 172 CD1 LEU A 20 41.714 -4.620 -11.713 1.00 26.28 C ATOM 173 CD2 LEU A 20 43.150 -3.698 -9.935 1.00 28.59 C ATOM 174 H LEU A 20 43.249 -0.851 -12.615 1.00 0.00 H ATOM 175 N SER A 21 45.851 -2.058 -14.326 1.00 17.31 N ATOM 176 CA SER A 21 46.948 -2.222 -15.272 1.00 18.15 C ATOM 177 C SER A 21 48.127 -1.313 -14.929 1.00 18.93 C ATOM 178 O SER A 21 49.280 -1.726 -15.042 1.00 18.58 O ATOM 179 CB SER A 21 46.476 -1.964 -16.711 1.00 20.13 C ATOM 180 OG SER A 21 45.659 -3.039 -17.171 1.00 25.18 O ATOM 181 HG SER A 21 46.180 -3.881 -17.150 1.00 0.00 H ATOM 182 H SER A 21 44.963 -1.608 -14.627 1.00 0.00 H ATOM 183 N GLU A 22 47.852 -0.080 -14.515 1.00 16.44 N ATOM 184 CA GLU A 22 48.930 0.815 -14.117 1.00 16.48 C ATOM 185 C GLU A 22 49.729 0.254 -12.926 1.00 17.44 C ATOM 186 O GLU A 22 50.957 0.305 -12.903 1.00 17.59 O ATOM 187 CB GLU A 22 48.372 2.196 -13.760 1.00 21.44 C ATOM 188 CG GLU A 22 49.463 3.209 -13.502 1.00 18.53 C ATOM 189 CD GLU A 22 48.914 4.616 -13.337 1.00 18.45 C ATOM 190 OE1 GLU A 22 47.681 4.773 -13.275 1.00 19.06 O ATOM 191 OE2 GLU A 22 49.721 5.559 -13.259 1.00 20.25 O ATOM 192 H GLU A 22 46.865 0.246 -14.475 1.00 0.00 H ATOM 193 N LEU A 23 49.021 -0.282 -11.942 1.00 16.96 N ATOM 194 CA LEU A 23 49.673 -0.868 -10.784 1.00 18.85 C ATOM 195 C LEU A 23 50.540 -2.049 -11.226 1.00 17.36 C ATOM 196 O LEU A 23 51.686 -2.196 -10.792 1.00 15.36 O ATOM 197 CB LEU A 23 48.626 -1.307 -9.762 1.00 20.31 C ATOM 198 CG LEU A 23 48.090 -0.200 -8.847 1.00 20.83 C ATOM 199 CD1 LEU A 23 46.905 -0.716 -8.058 1.00 24.97 C ATOM 200 CD2 LEU A 23 49.193 0.285 -7.910 1.00 22.15 C ATOM 201 H LEU A 23 47.983 -0.283 -12.000 1.00 0.00 H ATOM 202 N THR A 24 49.987 -2.866 -12.116 1.00 15.18 N ATOM 203 CA THR A 24 50.695 -4.039 -12.621 1.00 16.86 C ATOM 204 C THR A 24 52.017 -3.615 -13.235 1.00 20.09 C ATOM 205 O THR A 24 53.075 -4.121 -12.871 1.00 19.69 O ATOM 206 CB THR A 24 49.874 -4.796 -13.680 1.00 16.51 C ATOM 207 OG1 THR A 24 48.657 -5.280 -13.096 1.00 18.48 O ATOM 208 CG2 THR A 24 50.682 -5.974 -14.247 1.00 18.48 C ATOM 209 HG1 THR A 24 48.128 -4.515 -12.756 1.00 0.00 H ATOM 210 H THR A 24 49.027 -2.665 -12.461 1.00 0.00 H ATOM 211 N GLN A 25 51.946 -2.660 -14.160 1.00 17.72 N ATOM 212 CA GLN A 25 53.122 -2.221 -14.891 1.00 17.79 C ATOM 213 C GLN A 25 54.157 -1.568 -13.987 1.00 18.13 C ATOM 214 O GLN A 25 55.357 -1.820 -14.125 1.00 20.79 O ATOM 215 CB GLN A 25 52.716 -1.247 -16.009 1.00 22.33 C ATOM 216 CG GLN A 25 51.815 -1.884 -17.067 1.00 20.37 C ATOM 217 CD GLN A 25 52.580 -2.824 -17.983 1.00 23.53 C ATOM 218 OE1 GLN A 25 53.728 -2.557 -18.345 1.00 23.87 O ATOM 219 NE2 GLN A 25 51.946 -3.934 -18.361 1.00 21.44 N ATOM 220 HE22 GLN A 25 50.977 -4.118 -18.030 1.00 0.00 H ATOM 221 HE21 GLN A 25 52.420 -4.616 -18.986 1.00 0.00 H ATOM 222 H GLN A 25 51.027 -2.218 -14.364 1.00 0.00 H ATOM 223 N GLN A 26 53.697 -0.714 -13.079 1.00 18.12 N ATOM 224 CA GLN A 26 54.609 -0.004 -12.199 1.00 18.79 C ATOM 225 C GLN A 26 55.290 -0.960 -11.227 1.00 20.22 C ATOM 226 O GLN A 26 56.478 -0.833 -10.971 1.00 20.94 O ATOM 227 CB GLN A 26 53.874 1.109 -11.450 1.00 20.36 C ATOM 228 CG GLN A 26 53.556 2.289 -12.367 1.00 20.50 C ATOM 229 CD GLN A 26 54.790 3.120 -12.656 1.00 26.19 C ATOM 230 OE1 GLN A 26 55.507 3.520 -11.734 1.00 28.91 O ATOM 231 NE2 GLN A 26 55.063 3.364 -13.935 1.00 26.50 N ATOM 232 HE22 GLN A 26 54.430 3.007 -14.679 1.00 0.00 H ATOM 233 HE21 GLN A 26 55.909 3.912 -14.191 1.00 0.00 H ATOM 234 H GLN A 26 52.673 -0.552 -12.997 1.00 0.00 H ATOM 235 N LEU A 27 54.545 -1.923 -10.694 1.00 20.88 N ATOM 236 CA LEU A 27 55.147 -2.928 -9.814 1.00 25.11 C ATOM 237 C LEU A 27 56.153 -3.801 -10.570 1.00 21.99 C ATOM 238 O LEU A 27 57.201 -4.158 -10.027 1.00 24.24 O ATOM 239 CB LEU A 27 54.065 -3.804 -9.166 1.00 17.84 C ATOM 240 CG LEU A 27 53.327 -3.133 -8.014 1.00 21.22 C ATOM 241 CD1 LEU A 27 52.127 -3.974 -7.607 1.00 23.94 C ATOM 242 CD2 LEU A 27 54.268 -2.928 -6.821 1.00 20.58 C ATOM 243 H LEU A 27 53.527 -1.963 -10.903 1.00 0.00 H ATOM 244 N ALA A 28 55.840 -4.131 -11.820 1.00 21.43 N ATOM 245 CA ALA A 28 56.763 -4.915 -12.643 1.00 22.88 C ATOM 246 C ALA A 28 58.091 -4.177 -12.773 1.00 23.08 C ATOM 247 O ALA A 28 59.162 -4.760 -12.589 1.00 27.75 O ATOM 248 CB ALA A 28 56.167 -5.198 -14.008 1.00 22.16 C ATOM 249 H ALA A 28 54.928 -3.828 -12.218 1.00 0.00 H ATOM 250 N GLN A 29 58.014 -2.887 -13.076 1.00 24.43 N ATOM 251 CA GLN A 29 59.218 -2.067 -13.154 1.00 20.89 C ATOM 252 C GLN A 29 59.930 -1.970 -11.807 1.00 23.77 C ATOM 253 O GLN A 29 61.158 -2.056 -11.740 1.00 31.24 O ATOM 254 CB GLN A 29 58.865 -0.669 -13.672 1.00 27.35 C ATOM 255 CG GLN A 29 60.066 0.245 -13.818 1.00 40.63 C ATOM 256 CD GLN A 29 60.104 0.938 -15.170 1.00 54.78 C ATOM 257 OE1 GLN A 29 59.079 1.075 -15.843 1.00 52.60 O ATOM 258 NE2 GLN A 29 61.293 1.368 -15.578 1.00 62.49 N ATOM 259 HE22 GLN A 29 62.130 1.230 -14.977 1.00 0.00 H ATOM 260 HE21 GLN A 29 61.387 1.842 -16.499 1.00 0.00 H ATOM 261 H GLN A 29 57.085 -2.456 -13.260 1.00 0.00 H ATOM 262 N ALA A 30 59.164 -1.815 -10.731 1.00 24.41 N ATOM 263 CA ALA A 30 59.756 -1.618 -9.410 1.00 23.60 C ATOM 264 C ALA A 30 60.467 -2.867 -8.906 1.00 30.44 C ATOM 265 O ALA A 30 61.435 -2.771 -8.158 1.00 26.88 O ATOM 266 CB ALA A 30 58.686 -1.182 -8.401 1.00 25.95 C ATOM 267 H ALA A 30 58.129 -1.834 -10.831 1.00 0.00 H ATOM 268 N THR A 31 59.989 -4.039 -9.304 1.00 26.27 N ATOM 269 CA THR A 31 60.525 -5.276 -8.744 1.00 31.71 C ATOM 270 C THR A 31 61.416 -6.035 -9.710 1.00 32.85 C ATOM 271 O THR A 31 62.053 -7.016 -9.322 1.00 33.41 O ATOM 272 CB THR A 31 59.396 -6.227 -8.295 1.00 27.39 C ATOM 273 OG1 THR A 31 58.563 -6.522 -9.420 1.00 24.28 O ATOM 274 CG2 THR A 31 58.566 -5.589 -7.192 1.00 27.40 C ATOM 275 HG1 THR A 31 58.174 -5.682 -9.770 1.00 0.00 H ATOM 276 H THR A 31 59.232 -4.076 -10.016 1.00 0.00 H ATOM 277 N GLY A 32 61.442 -5.594 -10.966 1.00 26.73 N ATOM 278 CA GLY A 32 62.176 -6.276 -12.015 1.00 29.99 C ATOM 279 C GLY A 32 61.559 -7.606 -12.430 1.00 37.08 C ATOM 280 O GLY A 32 62.246 -8.485 -12.943 1.00 38.36 O ATOM 281 H GLY A 32 60.917 -4.729 -11.204 1.00 0.00 H ATOM 282 N LYS A 33 60.257 -7.761 -12.208 1.00 28.36 N ATOM 283 CA LYS A 33 59.567 -8.999 -12.560 1.00 31.11 C ATOM 284 C LYS A 33 58.678 -8.786 -13.785 1.00 25.90 C ATOM 285 O LYS A 33 58.149 -7.694 -13.970 1.00 29.55 O ATOM 286 CB LYS A 33 58.731 -9.491 -11.374 1.00 26.83 C ATOM 287 CG LYS A 33 59.531 -9.765 -10.116 1.00 23.57 C ATOM 288 CD LYS A 33 60.334 -11.073 -10.237 1.00 30.82 C ATOM 289 CE LYS A 33 61.066 -11.391 -8.935 1.00 32.60 C ATOM 290 NZ LYS A 33 61.914 -12.616 -9.025 1.00 33.58 N ATOM 291 HZ1 LYS A 33 61.316 -13.434 -9.259 1.00 0.00 H ATOM 292 HZ2 LYS A 33 62.631 -12.486 -9.767 1.00 0.00 H ATOM 293 HZ3 LYS A 33 62.384 -12.779 -8.112 1.00 0.00 H ATOM 294 H LYS A 33 59.719 -6.984 -11.774 1.00 0.00 H ATOM 295 N PRO A 34 58.508 -9.823 -14.623 1.00 27.04 N ATOM 296 CA PRO A 34 57.588 -9.721 -15.758 1.00 26.07 C ATOM 297 C PRO A 34 56.178 -9.416 -15.264 1.00 25.93 C ATOM 298 O PRO A 34 55.762 -9.976 -14.243 1.00 25.64 O ATOM 299 CB PRO A 34 57.660 -11.109 -16.401 1.00 32.76 C ATOM 300 CG PRO A 34 58.960 -11.677 -15.932 1.00 31.82 C ATOM 301 CD PRO A 34 59.129 -11.156 -14.546 1.00 26.40 C ATOM 302 N PRO A 35 55.462 -8.531 -15.964 1.00 25.05 N ATOM 303 CA PRO A 35 54.102 -8.157 -15.561 1.00 24.02 C ATOM 304 C PRO A 35 53.143 -9.352 -15.566 1.00 21.31 C ATOM 305 O PRO A 35 52.170 -9.357 -14.810 1.00 20.02 O ATOM 306 CB PRO A 35 53.692 -7.103 -16.602 1.00 26.82 C ATOM 307 CG PRO A 35 54.746 -7.125 -17.657 1.00 29.47 C ATOM 308 CD PRO A 35 55.979 -7.689 -17.058 1.00 26.87 C ATOM 309 N GLN A 36 53.426 -10.365 -16.382 1.00 19.04 N ATOM 310 CA GLN A 36 52.580 -11.557 -16.430 1.00 20.44 C ATOM 311 C GLN A 36 52.489 -12.285 -15.080 1.00 20.93 C ATOM 312 O GLN A 36 51.516 -12.998 -14.828 1.00 23.67 O ATOM 313 CB GLN A 36 53.085 -12.527 -17.512 1.00 22.36 C ATOM 314 CG GLN A 36 52.288 -13.846 -17.622 1.00 30.14 C ATOM 315 CD GLN A 36 50.835 -13.647 -18.068 1.00 30.27 C ATOM 316 OE1 GLN A 36 50.556 -12.862 -18.974 1.00 32.85 O ATOM 317 NE2 GLN A 36 49.906 -14.355 -17.421 1.00 30.69 N ATOM 318 HE22 GLN A 36 50.185 -15.008 -16.661 1.00 0.00 H ATOM 319 HE21 GLN A 36 48.903 -14.254 -17.677 1.00 0.00 H ATOM 320 H GLN A 36 54.263 -10.308 -16.996 1.00 0.00 H ATOM 321 N TYR A 37 53.488 -12.117 -14.214 1.00 23.60 N ATOM 322 CA TYR A 37 53.467 -12.761 -12.886 1.00 21.16 C ATOM 323 C TYR A 37 52.617 -12.025 -11.842 1.00 24.76 C ATOM 324 O TYR A 37 52.244 -12.585 -10.803 1.00 19.71 O ATOM 325 CB TYR A 37 54.874 -12.875 -12.299 1.00 22.97 C ATOM 326 CG TYR A 37 55.878 -13.693 -13.082 1.00 25.77 C ATOM 327 CD1 TYR A 37 55.483 -14.546 -14.111 1.00 28.21 C ATOM 328 CD2 TYR A 37 57.223 -13.621 -12.769 1.00 24.90 C ATOM 329 CE1 TYR A 37 56.422 -15.297 -14.815 1.00 32.98 C ATOM 330 CE2 TYR A 37 58.157 -14.355 -13.460 1.00 28.54 C ATOM 331 CZ TYR A 37 57.759 -15.192 -14.473 1.00 28.17 C ATOM 332 OH TYR A 37 58.723 -15.907 -15.145 1.00 26.59 O ATOM 333 HH TYR A 37 58.294 -16.463 -15.842 1.00 0.00 H ATOM 334 H TYR A 37 54.298 -11.521 -14.479 1.00 0.00 H ATOM 335 N ILE A 38 52.354 -10.752 -12.098 1.00 22.41 N ATOM 336 CA ILE A 38 51.884 -9.862 -11.045 1.00 16.31 C ATOM 337 C ILE A 38 50.368 -9.856 -10.927 1.00 15.97 C ATOM 338 O ILE A 38 49.651 -9.834 -11.929 1.00 17.13 O ATOM 339 CB ILE A 38 52.425 -8.447 -11.296 1.00 16.01 C ATOM 340 CG1 ILE A 38 53.942 -8.484 -11.084 1.00 19.92 C ATOM 341 CG2 ILE A 38 51.777 -7.413 -10.370 1.00 18.35 C ATOM 342 CD1 ILE A 38 54.601 -7.155 -11.185 1.00 21.96 C ATOM 343 H ILE A 38 52.485 -10.384 -13.062 1.00 0.00 H ATOM 344 N ALA A 39 49.879 -9.901 -9.689 1.00 15.30 N ATOM 345 CA ALA A 39 48.437 -9.900 -9.473 1.00 17.43 C ATOM 346 C ALA A 39 48.061 -8.684 -8.643 1.00 17.99 C ATOM 347 O ALA A 39 48.790 -8.309 -7.728 1.00 18.04 O ATOM 348 CB ALA A 39 47.977 -11.194 -8.785 1.00 18.28 C ATOM 349 H ALA A 39 50.526 -9.937 -8.876 1.00 0.00 H ATOM 350 N VAL A 40 46.950 -8.047 -9.005 1.00 18.23 N ATOM 351 CA VAL A 40 46.485 -6.857 -8.303 1.00 16.62 C ATOM 352 C VAL A 40 44.999 -6.976 -7.997 1.00 15.75 C ATOM 353 O VAL A 40 44.225 -7.534 -8.793 1.00 18.72 O ATOM 354 CB VAL A 40 46.746 -5.573 -9.121 1.00 17.42 C ATOM 355 CG1 VAL A 40 48.243 -5.313 -9.243 1.00 18.76 C ATOM 356 CG2 VAL A 40 46.096 -5.676 -10.490 1.00 17.50 C ATOM 357 H VAL A 40 46.399 -8.408 -9.810 1.00 0.00 H ATOM 358 N HIS A 41 44.606 -6.446 -6.842 1.00 16.51 N ATOM 359 CA HIS A 41 43.256 -6.566 -6.325 1.00 18.86 C ATOM 360 C HIS A 41 42.891 -5.251 -5.655 1.00 17.49 C ATOM 361 O HIS A 41 43.588 -4.801 -4.743 1.00 17.53 O ATOM 362 CB HIS A 41 43.196 -7.735 -5.332 1.00 18.32 C ATOM 363 CG HIS A 41 41.840 -7.999 -4.764 1.00 17.42 C ATOM 364 ND1 HIS A 41 41.654 -8.777 -3.638 1.00 17.28 N ATOM 365 CD2 HIS A 41 40.606 -7.601 -5.154 1.00 16.71 C ATOM 366 CE1 HIS A 41 40.365 -8.844 -3.361 1.00 15.55 C ATOM 367 NE2 HIS A 41 39.706 -8.144 -4.272 1.00 17.71 N ATOM 368 H HIS A 41 45.303 -5.918 -6.280 1.00 0.00 H ATOM 369 N VAL A 42 41.819 -4.620 -6.118 1.00 15.15 N ATOM 370 CA VAL A 42 41.372 -3.355 -5.525 1.00 16.76 C ATOM 371 C VAL A 42 39.960 -3.506 -4.995 1.00 19.51 C ATOM 372 O VAL A 42 39.073 -3.943 -5.721 1.00 19.80 O ATOM 373 CB VAL A 42 41.410 -2.182 -6.546 1.00 18.87 C ATOM 374 CG1 VAL A 42 40.802 -0.912 -5.928 1.00 22.05 C ATOM 375 CG2 VAL A 42 42.845 -1.921 -6.987 1.00 20.23 C ATOM 376 H VAL A 42 41.288 -5.029 -6.913 1.00 0.00 H ATOM 377 N VAL A 43 39.769 -3.160 -3.725 1.00 16.00 N ATOM 378 CA VAL A 43 38.491 -3.317 -3.054 1.00 15.07 C ATOM 379 C VAL A 43 37.974 -1.969 -2.564 1.00 19.09 C ATOM 380 O VAL A 43 38.405 -1.484 -1.523 1.00 17.31 O ATOM 381 CB VAL A 43 38.592 -4.261 -1.832 1.00 16.72 C ATOM 382 CG1 VAL A 43 37.178 -4.614 -1.313 1.00 18.58 C ATOM 383 CG2 VAL A 43 39.370 -5.514 -2.184 1.00 19.16 C ATOM 384 H VAL A 43 40.567 -2.761 -3.191 1.00 0.00 H ATOM 385 N PRO A 44 37.038 -1.372 -3.304 1.00 19.30 N ATOM 386 CA PRO A 44 36.538 -0.052 -2.915 1.00 21.39 C ATOM 387 C PRO A 44 35.290 -0.117 -2.033 1.00 21.67 C ATOM 388 O PRO A 44 34.873 -1.220 -1.648 1.00 19.47 O ATOM 389 CB PRO A 44 36.219 0.593 -4.261 1.00 21.21 C ATOM 390 CG PRO A 44 35.788 -0.576 -5.118 1.00 23.04 C ATOM 391 CD PRO A 44 36.586 -1.766 -4.651 1.00 21.77 C ATOM 392 N ASP A 45 34.735 1.053 -1.703 1.00 17.17 N ATOM 393 CA ASP A 45 33.473 1.156 -0.975 1.00 21.49 C ATOM 394 C ASP A 45 33.519 0.514 0.406 1.00 18.53 C ATOM 395 O ASP A 45 32.477 0.183 0.973 1.00 21.50 O ATOM 396 CB ASP A 45 32.339 0.527 -1.791 1.00 21.11 C ATOM 397 CG ASP A 45 32.041 1.303 -3.060 1.00 24.91 C ATOM 398 OD1 ASP A 45 31.741 2.509 -2.959 1.00 27.35 O ATOM 399 OD2 ASP A 45 32.129 0.712 -4.151 1.00 31.45 O ATOM 400 H ASP A 45 35.224 1.929 -1.977 1.00 0.00 H ATOM 401 N GLN A 46 34.711 0.360 0.967 1.00 18.10 N ATOM 402 CA GLN A 46 34.839 -0.307 2.264 1.00 20.46 C ATOM 403 C GLN A 46 34.479 0.587 3.450 1.00 23.07 C ATOM 404 O GLN A 46 34.698 1.798 3.423 1.00 20.94 O ATOM 405 CB GLN A 46 36.262 -0.831 2.444 1.00 18.53 C ATOM 406 CG GLN A 46 36.596 -1.930 1.468 1.00 17.68 C ATOM 407 CD GLN A 46 35.591 -3.051 1.546 1.00 19.92 C ATOM 408 OE1 GLN A 46 35.580 -3.799 2.516 1.00 21.54 O ATOM 409 NE2 GLN A 46 34.726 -3.158 0.541 1.00 21.29 N ATOM 410 HE22 GLN A 46 34.776 -2.498 -0.261 1.00 0.00 H ATOM 411 HE21 GLN A 46 33.999 -3.902 0.557 1.00 0.00 H ATOM 412 H GLN A 46 35.560 0.715 0.483 1.00 0.00 H ATOM 413 N LEU A 47 33.919 -0.034 4.482 1.00 21.39 N ATOM 414 CA LEU A 47 33.642 0.643 5.740 1.00 22.82 C ATOM 415 C LEU A 47 34.920 0.686 6.571 1.00 22.38 C ATOM 416 O LEU A 47 35.308 -0.311 7.187 1.00 21.00 O ATOM 417 CB LEU A 47 32.511 -0.067 6.497 1.00 21.73 C ATOM 418 CG LEU A 47 32.046 0.512 7.836 1.00 23.80 C ATOM 419 CD1 LEU A 47 31.578 1.945 7.667 1.00 27.34 C ATOM 420 CD2 LEU A 47 30.933 -0.340 8.432 1.00 20.26 C ATOM 421 H LEU A 47 33.670 -1.039 4.388 1.00 0.00 H ATOM 422 N MET A 48 35.592 1.834 6.564 1.00 20.00 N ATOM 423 CA MET A 48 36.873 1.952 7.248 1.00 21.55 C ATOM 424 C MET A 48 37.001 3.251 8.016 1.00 23.39 C ATOM 425 O MET A 48 36.367 4.252 7.664 1.00 24.39 O ATOM 426 CB MET A 48 38.049 1.890 6.263 1.00 27.19 C ATOM 427 CG MET A 48 37.913 0.950 5.102 1.00 26.66 C ATOM 428 SD MET A 48 39.361 1.145 4.029 1.00 27.66 S ATOM 429 CE MET A 48 40.673 0.961 5.197 1.00 34.38 C ATOM 430 H MET A 48 35.198 2.657 6.064 1.00 0.00 H ATOM 431 N ALA A 49 37.832 3.216 9.057 1.00 21.44 N ATOM 432 CA ALA A 49 38.293 4.423 9.729 1.00 24.69 C ATOM 433 C ALA A 49 39.805 4.368 9.901 1.00 24.94 C ATOM 434 O ALA A 49 40.402 3.299 10.074 1.00 24.63 O ATOM 435 CB ALA A 49 37.589 4.608 11.090 1.00 22.58 C ATOM 436 H ALA A 49 38.164 2.293 9.402 1.00 0.00 H ATOM 437 N PHE A 50 40.428 5.536 9.829 1.00 20.06 N ATOM 438 CA PHE A 50 41.860 5.664 9.988 1.00 19.97 C ATOM 439 C PHE A 50 42.049 6.841 10.951 1.00 25.98 C ATOM 440 O PHE A 50 41.698 7.968 10.627 1.00 22.96 O ATOM 441 CB PHE A 50 42.519 5.904 8.622 1.00 21.21 C ATOM 442 CG PHE A 50 44.006 5.724 8.594 1.00 22.42 C ATOM 443 CD1 PHE A 50 44.842 6.569 9.307 1.00 25.48 C ATOM 444 CD2 PHE A 50 44.577 4.737 7.796 1.00 26.96 C ATOM 445 CE1 PHE A 50 46.209 6.410 9.253 1.00 26.07 C ATOM 446 CE2 PHE A 50 45.946 4.582 7.733 1.00 24.15 C ATOM 447 CZ PHE A 50 46.761 5.414 8.460 1.00 24.07 C ATOM 448 H PHE A 50 39.866 6.393 9.651 1.00 0.00 H ATOM 449 N GLY A 51 42.556 6.571 12.146 1.00 27.52 N ATOM 450 CA GLY A 51 42.671 7.602 13.166 1.00 28.04 C ATOM 451 C GLY A 51 41.339 8.204 13.573 1.00 31.52 C ATOM 452 O GLY A 51 41.244 9.404 13.865 1.00 33.68 O ATOM 453 H GLY A 51 42.877 5.605 12.358 1.00 0.00 H ATOM 454 N GLY A 52 40.299 7.375 13.577 1.00 31.95 N ATOM 455 CA GLY A 52 38.970 7.814 13.966 1.00 29.96 C ATOM 456 C GLY A 52 38.234 8.605 12.900 1.00 33.78 C ATOM 457 O GLY A 52 37.102 9.036 13.111 1.00 32.26 O ATOM 458 H GLY A 52 40.441 6.385 13.294 1.00 0.00 H ATOM 459 N SER A 53 38.869 8.791 11.746 1.00 26.41 N ATOM 460 CA SER A 53 38.268 9.571 10.665 1.00 26.07 C ATOM 461 C SER A 53 37.901 8.701 9.460 1.00 27.38 C ATOM 462 O SER A 53 38.614 7.751 9.138 1.00 22.96 O ATOM 463 CB SER A 53 39.225 10.688 10.227 1.00 28.68 C ATOM 464 OG SER A 53 38.817 11.240 8.985 1.00 29.59 O ATOM 465 HG SER A 53 39.446 11.957 8.721 1.00 0.00 H ATOM 466 H SER A 53 39.812 8.373 11.610 1.00 0.00 H ATOM 467 N SER A 54 36.808 9.054 8.785 1.00 26.35 N ATOM 468 CA SER A 54 36.361 8.320 7.600 1.00 28.77 C ATOM 469 C SER A 54 36.702 9.043 6.292 1.00 27.23 C ATOM 470 O SER A 54 36.107 8.769 5.252 1.00 29.06 O ATOM 471 CB SER A 54 34.852 8.057 7.677 1.00 31.44 C ATOM 472 OG SER A 54 34.124 9.274 7.653 1.00 40.20 O ATOM 473 HG SER A 54 34.390 9.832 8.426 1.00 0.00 H ATOM 474 H SER A 54 36.257 9.874 9.109 1.00 0.00 H ATOM 475 N GLU A 55 37.667 9.960 6.339 1.00 25.62 N ATOM 476 CA GLU A 55 38.228 10.529 5.114 1.00 26.27 C ATOM 477 C GLU A 55 38.888 9.411 4.310 1.00 22.11 C ATOM 478 O GLU A 55 39.198 8.360 4.882 1.00 21.57 O ATOM 479 CB GLU A 55 39.239 11.636 5.435 1.00 22.89 C ATOM 480 CG GLU A 55 38.581 12.865 6.061 1.00 32.62 C ATOM 481 CD GLU A 55 37.464 13.435 5.194 1.00 43.38 C ATOM 482 OE1 GLU A 55 36.373 13.713 5.738 1.00 49.18 O ATOM 483 OE2 GLU A 55 37.672 13.617 3.973 1.00 42.76 O ATOM 484 H GLU A 55 38.027 10.277 7.262 1.00 0.00 H ATOM 485 N PRO A 56 39.090 9.622 2.992 1.00 24.56 N ATOM 486 CA PRO A 56 39.672 8.557 2.169 1.00 19.83 C ATOM 487 C PRO A 56 40.943 8.005 2.784 1.00 21.03 C ATOM 488 O PRO A 56 41.775 8.748 3.316 1.00 20.78 O ATOM 489 CB PRO A 56 39.954 9.259 0.835 1.00 22.66 C ATOM 490 CG PRO A 56 38.849 10.293 0.751 1.00 22.99 C ATOM 491 CD PRO A 56 38.663 10.776 2.172 1.00 23.76 C ATOM 492 N CYS A 57 41.062 6.685 2.757 1.00 20.23 N ATOM 493 CA CYS A 57 42.215 6.025 3.326 1.00 16.91 C ATOM 494 C CYS A 57 42.395 4.690 2.609 1.00 19.31 C ATOM 495 O CYS A 57 41.523 4.269 1.833 1.00 17.78 O ATOM 496 CB CYS A 57 42.046 5.807 4.839 1.00 18.63 C ATOM 497 SG CYS A 57 40.652 4.716 5.312 1.00 21.58 S ATOM 498 H CYS A 57 40.312 6.114 2.318 1.00 0.00 H ATOM 499 N ALA A 58 43.516 4.030 2.876 1.00 18.19 N ATOM 500 CA ALA A 58 43.767 2.727 2.277 1.00 21.10 C ATOM 501 C ALA A 58 44.597 1.834 3.180 1.00 19.43 C ATOM 502 O ALA A 58 45.553 2.267 3.815 1.00 19.39 O ATOM 503 CB ALA A 58 44.458 2.885 0.910 1.00 21.65 C ATOM 504 H ALA A 58 44.220 4.447 3.518 1.00 0.00 H ATOM 505 N LEU A 59 44.223 0.559 3.214 1.00 16.69 N ATOM 506 CA LEU A 59 45.027 -0.465 3.860 1.00 18.29 C ATOM 507 C LEU A 59 45.465 -1.445 2.784 1.00 16.50 C ATOM 508 O LEU A 59 44.625 -2.017 2.096 1.00 17.90 O ATOM 509 CB LEU A 59 44.232 -1.190 4.956 1.00 16.27 C ATOM 510 CG LEU A 59 43.722 -0.318 6.102 1.00 22.96 C ATOM 511 CD1 LEU A 59 42.892 -1.169 7.086 1.00 22.63 C ATOM 512 CD2 LEU A 59 44.852 0.418 6.826 1.00 20.33 C ATOM 513 H LEU A 59 43.326 0.285 2.764 1.00 0.00 H ATOM 514 N CYS A 60 46.772 -1.631 2.634 1.00 16.65 N ATOM 515 CA CYS A 60 47.296 -2.408 1.524 1.00 18.37 C ATOM 516 C CYS A 60 48.219 -3.512 1.981 1.00 19.06 C ATOM 517 O CYS A 60 48.722 -3.501 3.105 1.00 18.67 O ATOM 518 CB CYS A 60 48.066 -1.517 0.545 1.00 18.05 C ATOM 519 SG CYS A 60 47.195 0.013 0.107 1.00 19.37 S ATOM 520 H CYS A 60 47.431 -1.214 3.322 1.00 0.00 H ATOM 521 N SER A 61 48.461 -4.458 1.086 1.00 16.41 N ATOM 522 CA SER A 61 49.496 -5.455 1.320 1.00 17.40 C ATOM 523 C SER A 61 50.263 -5.732 0.044 1.00 19.38 C ATOM 524 O SER A 61 49.698 -5.697 -1.059 1.00 17.31 O ATOM 525 CB SER A 61 48.897 -6.751 1.847 1.00 20.75 C ATOM 526 OG SER A 61 48.116 -7.347 0.837 1.00 15.19 O ATOM 527 HG SER A 61 48.686 -7.540 0.051 1.00 0.00 H ATOM 528 H SER A 61 47.906 -4.489 0.207 1.00 0.00 H ATOM 529 N LEU A 62 51.557 -5.989 0.196 1.00 16.20 N ATOM 530 CA LEU A 62 52.368 -6.425 -0.931 1.00 17.13 C ATOM 531 C LEU A 62 53.037 -7.724 -0.517 1.00 19.59 C ATOM 532 O LEU A 62 53.818 -7.725 0.422 1.00 18.44 O ATOM 533 CB LEU A 62 53.418 -5.371 -1.324 1.00 17.91 C ATOM 534 CG LEU A 62 54.295 -5.691 -2.548 1.00 18.51 C ATOM 535 CD1 LEU A 62 53.462 -5.700 -3.837 1.00 22.35 C ATOM 536 CD2 LEU A 62 55.455 -4.692 -2.663 1.00 20.74 C ATOM 537 H LEU A 62 51.996 -5.877 1.132 1.00 0.00 H ATOM 538 N HIS A 63 52.687 -8.826 -1.183 1.00 15.30 N ATOM 539 CA HIS A 63 53.381 -10.112 -0.976 1.00 16.60 C ATOM 540 C HIS A 63 54.349 -10.374 -2.128 1.00 17.96 C ATOM 541 O HIS A 63 54.031 -10.127 -3.286 1.00 18.30 O ATOM 542 CB HIS A 63 52.399 -11.295 -0.873 1.00 17.98 C ATOM 543 CG HIS A 63 51.437 -11.211 0.271 1.00 19.60 C ATOM 544 ND1 HIS A 63 50.363 -10.347 0.283 1.00 21.16 N ATOM 545 CD2 HIS A 63 51.353 -11.929 1.416 1.00 17.81 C ATOM 546 CE1 HIS A 63 49.672 -10.520 1.397 1.00 20.60 C ATOM 547 NE2 HIS A 63 50.259 -11.472 2.105 1.00 21.87 N ATOM 548 H HIS A 63 51.904 -8.777 -1.866 1.00 0.00 H ATOM 549 N SER A 64 55.535 -10.878 -1.811 1.00 17.94 N ATOM 550 CA SER A 64 56.530 -11.159 -2.838 1.00 17.96 C ATOM 551 C SER A 64 57.434 -12.282 -2.360 1.00 18.11 C ATOM 552 O SER A 64 57.661 -12.415 -1.160 1.00 19.47 O ATOM 553 CB SER A 64 57.362 -9.910 -3.146 1.00 20.98 C ATOM 554 OG SER A 64 58.273 -10.147 -4.212 1.00 21.29 O ATOM 555 HG SER A 64 57.769 -10.399 -5.026 1.00 0.00 H ATOM 556 H SER A 64 55.758 -11.075 -0.815 1.00 0.00 H ATOM 557 N ILE A 65 57.918 -13.097 -3.287 1.00 20.05 N ATOM 558 CA ILE A 65 58.952 -14.079 -2.974 1.00 20.57 C ATOM 559 C ILE A 65 60.286 -13.386 -3.212 1.00 22.87 C ATOM 560 O ILE A 65 60.742 -13.283 -4.348 1.00 23.75 O ATOM 561 CB ILE A 65 58.834 -15.355 -3.843 1.00 18.11 C ATOM 562 CG1 ILE A 65 57.449 -16.011 -3.670 1.00 19.08 C ATOM 563 CG2 ILE A 65 59.992 -16.330 -3.542 1.00 21.68 C ATOM 564 CD1 ILE A 65 57.116 -17.067 -4.756 1.00 19.93 C ATOM 565 H ILE A 65 57.553 -13.035 -4.259 1.00 0.00 H ATOM 566 N GLY A 66 60.883 -12.883 -2.137 1.00 22.67 N ATOM 567 CA GLY A 66 62.063 -12.044 -2.243 1.00 27.09 C ATOM 568 C GLY A 66 61.687 -10.619 -2.621 1.00 25.79 C ATOM 569 O GLY A 66 60.503 -10.291 -2.732 1.00 22.96 O ATOM 570 H GLY A 66 60.495 -13.096 -1.196 1.00 0.00 H ATOM 571 N LYS A 67 62.701 -9.775 -2.811 1.00 27.02 N ATOM 572 CA LYS A 67 62.502 -8.379 -3.197 1.00 26.40 C ATOM 573 C LYS A 67 61.802 -7.597 -2.083 1.00 27.19 C ATOM 574 O LYS A 67 61.180 -6.561 -2.336 1.00 26.95 O ATOM 575 CB LYS A 67 61.703 -8.278 -4.501 1.00 26.51 C ATOM 576 CG LYS A 67 62.353 -8.968 -5.675 1.00 33.48 C ATOM 577 CD LYS A 67 63.741 -8.407 -5.902 1.00 38.48 C ATOM 578 CE LYS A 67 64.340 -8.914 -7.203 1.00 46.74 C ATOM 579 NZ LYS A 67 65.645 -8.248 -7.480 1.00 52.47 N ATOM 580 HZ1 LYS A 67 65.500 -7.221 -7.555 1.00 0.00 H ATOM 581 HZ2 LYS A 67 66.307 -8.450 -6.704 1.00 0.00 H ATOM 582 HZ3 LYS A 67 66.035 -8.610 -8.373 1.00 0.00 H ATOM 583 H LYS A 67 63.672 -10.123 -2.679 1.00 0.00 H ATOM 584 N ILE A 68 61.924 -8.105 -0.857 1.00 23.04 N ATOM 585 CA ILE A 68 61.392 -7.461 0.338 1.00 26.34 C ATOM 586 C ILE A 68 62.533 -7.194 1.316 1.00 28.37 C ATOM 587 O ILE A 68 63.345 -8.083 1.584 1.00 27.49 O ATOM 588 CB ILE A 68 60.318 -8.338 1.041 1.00 22.35 C ATOM 589 CG1 ILE A 68 59.140 -8.621 0.101 1.00 22.45 C ATOM 590 CG2 ILE A 68 59.855 -7.690 2.349 1.00 22.92 C ATOM 591 CD1 ILE A 68 58.281 -7.392 -0.215 1.00 21.94 C ATOM 592 H ILE A 68 62.426 -9.009 -0.747 1.00 0.00 H ATOM 593 N GLY A 69 62.590 -5.985 1.861 1.00 24.09 N ATOM 594 CA GLY A 69 63.623 -5.638 2.824 1.00 23.56 C ATOM 595 C GLY A 69 63.567 -4.164 3.155 1.00 25.96 C ATOM 596 O GLY A 69 62.780 -3.438 2.556 1.00 25.84 O ATOM 597 H GLY A 69 61.882 -5.272 1.594 1.00 0.00 H ATOM 598 N GLY A 70 64.407 -3.723 4.092 1.00 26.98 N ATOM 599 CA GLY A 70 64.356 -2.358 4.592 1.00 28.35 C ATOM 600 C GLY A 70 64.323 -1.290 3.510 1.00 27.57 C ATOM 601 O GLY A 70 63.392 -0.479 3.439 1.00 24.55 O ATOM 602 H GLY A 70 65.120 -4.375 4.477 1.00 0.00 H ATOM 603 N ALA A 71 65.338 -1.299 2.655 1.00 27.82 N ATOM 604 CA ALA A 71 65.448 -0.288 1.617 1.00 28.78 C ATOM 605 C ALA A 71 64.362 -0.468 0.560 1.00 26.02 C ATOM 606 O ALA A 71 63.700 0.493 0.179 1.00 22.25 O ATOM 607 CB ALA A 71 66.834 -0.325 0.978 1.00 28.23 C ATOM 608 H ALA A 71 66.064 -2.040 2.729 1.00 0.00 H ATOM 609 N GLN A 72 64.163 -1.699 0.095 1.00 21.78 N ATOM 610 CA GLN A 72 63.172 -1.939 -0.950 1.00 21.04 C ATOM 611 C GLN A 72 61.772 -1.489 -0.531 1.00 22.55 C ATOM 612 O GLN A 72 61.054 -0.842 -1.306 1.00 21.78 O ATOM 613 CB GLN A 72 63.182 -3.417 -1.346 1.00 24.23 C ATOM 614 CG GLN A 72 64.456 -3.789 -2.087 1.00 25.31 C ATOM 615 CD GLN A 72 64.653 -5.280 -2.192 1.00 27.62 C ATOM 616 OE1 GLN A 72 64.431 -5.871 -3.250 1.00 35.38 O ATOM 617 NE2 GLN A 72 65.085 -5.897 -1.098 1.00 29.11 N ATOM 618 HE22 GLN A 72 65.258 -5.353 -0.228 1.00 0.00 H ATOM 619 HE21 GLN A 72 65.250 -6.924 -1.111 1.00 0.00 H ATOM 620 H GLN A 72 64.715 -2.493 0.477 1.00 0.00 H ATOM 621 N ASN A 73 61.409 -1.790 0.710 1.00 20.39 N ATOM 622 CA ASN A 73 60.114 -1.385 1.239 1.00 21.71 C ATOM 623 C ASN A 73 59.948 0.134 1.343 1.00 20.99 C ATOM 624 O ASN A 73 58.865 0.647 1.120 1.00 19.75 O ATOM 625 CB ASN A 73 59.878 -2.022 2.607 1.00 20.93 C ATOM 626 CG ASN A 73 59.838 -3.550 2.544 1.00 20.60 C ATOM 627 OD1 ASN A 73 59.852 -4.136 1.463 1.00 20.54 O ATOM 628 ND2 ASN A 73 59.768 -4.194 3.711 1.00 20.08 N ATOM 629 HD22 ASN A 73 59.759 -3.657 4.602 1.00 0.00 H ATOM 630 HD21 ASN A 73 59.723 -5.233 3.730 1.00 0.00 H ATOM 631 H ASN A 73 62.062 -2.326 1.316 1.00 0.00 H ATOM 632 N ARG A 74 61.014 0.850 1.697 1.00 18.28 N ATOM 633 CA ARG A 74 60.946 2.318 1.726 1.00 23.10 C ATOM 634 C ARG A 74 60.660 2.874 0.322 1.00 20.59 C ATOM 635 O ARG A 74 59.888 3.825 0.150 1.00 19.60 O ATOM 636 CB ARG A 74 62.246 2.902 2.299 1.00 22.20 C ATOM 637 CG ARG A 74 62.295 2.872 3.841 1.00 23.57 C ATOM 638 CD ARG A 74 63.714 2.793 4.400 1.00 33.92 C ATOM 639 NE ARG A 74 64.564 3.933 4.051 1.00 30.04 N ATOM 640 CZ ARG A 74 64.782 4.981 4.847 1.00 36.78 C ATOM 641 NH1 ARG A 74 64.195 5.057 6.035 1.00 29.71 N ATOM 642 NH2 ARG A 74 65.585 5.962 4.453 1.00 35.36 N ATOM 643 HE ARG A 74 65.029 3.925 3.121 1.00 0.00 H ATOM 644 HH12 ARG A 74 64.370 5.877 6.650 1.00 0.00 H ATOM 645 HH11 ARG A 74 63.560 4.296 6.351 1.00 0.00 H ATOM 646 HH22 ARG A 74 65.753 6.778 5.075 1.00 0.00 H ATOM 647 HH21 ARG A 74 66.046 5.915 3.522 1.00 0.00 H ATOM 648 H ARG A 74 61.899 0.368 1.954 1.00 0.00 H ATOM 649 N SER A 75 61.262 2.252 -0.684 1.00 17.94 N ATOM 650 CA SER A 75 61.053 2.664 -2.068 1.00 19.99 C ATOM 651 C SER A 75 59.636 2.324 -2.554 1.00 22.07 C ATOM 652 O SER A 75 58.973 3.162 -3.177 1.00 21.08 O ATOM 653 CB SER A 75 62.094 2.009 -2.984 1.00 20.65 C ATOM 654 OG SER A 75 61.913 2.415 -4.328 1.00 26.70 O ATOM 655 HG SER A 75 61.009 2.150 -4.633 1.00 0.00 H ATOM 656 H SER A 75 61.897 1.453 -0.481 1.00 0.00 H ATOM 657 N TYR A 76 59.174 1.105 -2.277 1.00 20.09 N ATOM 658 CA TYR A 76 57.806 0.704 -2.637 1.00 18.74 C ATOM 659 C TYR A 76 56.787 1.659 -2.046 1.00 17.93 C ATOM 660 O TYR A 76 55.795 2.000 -2.690 1.00 19.04 O ATOM 661 CB TYR A 76 57.484 -0.714 -2.153 1.00 15.12 C ATOM 662 CG TYR A 76 58.359 -1.792 -2.740 1.00 21.93 C ATOM 663 CD1 TYR A 76 58.861 -1.677 -4.025 1.00 21.30 C ATOM 664 CD2 TYR A 76 58.682 -2.923 -2.003 1.00 21.40 C ATOM 665 CE1 TYR A 76 59.674 -2.664 -4.570 1.00 26.60 C ATOM 666 CE2 TYR A 76 59.481 -3.922 -2.538 1.00 20.02 C ATOM 667 CZ TYR A 76 59.978 -3.783 -3.821 1.00 26.19 C ATOM 668 OH TYR A 76 60.780 -4.763 -4.360 1.00 25.50 O ATOM 669 HH TYR A 76 61.044 -4.504 -5.278 1.00 0.00 H ATOM 670 H TYR A 76 59.794 0.423 -1.796 1.00 0.00 H ATOM 671 N SER A 77 57.020 2.067 -0.802 1.00 18.12 N ATOM 672 CA SER A 77 56.090 2.961 -0.124 1.00 17.94 C ATOM 673 C SER A 77 55.914 4.277 -0.872 1.00 21.10 C ATOM 674 O SER A 77 54.808 4.790 -0.944 1.00 18.32 O ATOM 675 CB SER A 77 56.547 3.242 1.307 1.00 22.11 C ATOM 676 OG SER A 77 56.341 2.103 2.126 1.00 21.63 O ATOM 677 HG SER A 77 56.860 1.341 1.766 1.00 0.00 H ATOM 678 H SER A 77 57.876 1.744 -0.307 1.00 0.00 H ATOM 679 N LYS A 78 57.004 4.808 -1.427 1.00 19.66 N ATOM 680 CA LYS A 78 56.936 6.032 -2.225 1.00 21.11 C ATOM 681 C LYS A 78 56.159 5.800 -3.524 1.00 19.80 C ATOM 682 O LYS A 78 55.276 6.576 -3.887 1.00 17.81 O ATOM 683 CB LYS A 78 58.342 6.542 -2.545 1.00 21.82 C ATOM 684 CG LYS A 78 59.117 6.973 -1.311 1.00 24.08 C ATOM 685 CD LYS A 78 60.581 7.213 -1.647 1.00 22.88 C ATOM 686 CE LYS A 78 61.360 7.634 -0.404 1.00 26.61 C ATOM 687 NZ LYS A 78 61.368 6.579 0.641 1.00 24.99 N ATOM 688 HZ1 LYS A 78 60.391 6.370 0.928 1.00 0.00 H ATOM 689 HZ2 LYS A 78 61.810 5.718 0.260 1.00 0.00 H ATOM 690 HZ3 LYS A 78 61.909 6.912 1.464 1.00 0.00 H ATOM 691 H LYS A 78 57.923 4.341 -1.289 1.00 0.00 H ATOM 692 N LEU A 79 56.498 4.719 -4.209 1.00 20.70 N ATOM 693 CA LEU A 79 55.802 4.346 -5.431 1.00 21.15 C ATOM 694 C LEU A 79 54.286 4.230 -5.212 1.00 20.41 C ATOM 695 O LEU A 79 53.479 4.816 -5.947 1.00 19.99 O ATOM 696 CB LEU A 79 56.350 3.028 -5.951 1.00 18.08 C ATOM 697 CG LEU A 79 55.637 2.461 -7.177 1.00 18.20 C ATOM 698 CD1 LEU A 79 55.954 3.293 -8.407 1.00 24.85 C ATOM 699 CD2 LEU A 79 56.057 1.024 -7.389 1.00 21.08 C ATOM 700 H LEU A 79 57.279 4.124 -3.866 1.00 0.00 H ATOM 701 N LEU A 80 53.901 3.496 -4.178 1.00 20.96 N ATOM 702 CA LEU A 80 52.497 3.150 -3.983 1.00 19.06 C ATOM 703 C LEU A 80 51.693 4.319 -3.409 1.00 16.97 C ATOM 704 O LEU A 80 50.562 4.560 -3.826 1.00 16.99 O ATOM 705 CB LEU A 80 52.383 1.912 -3.082 1.00 18.33 C ATOM 706 CG LEU A 80 52.965 0.656 -3.742 1.00 21.30 C ATOM 707 CD1 LEU A 80 53.044 -0.502 -2.751 1.00 19.39 C ATOM 708 CD2 LEU A 80 52.115 0.273 -4.952 1.00 20.63 C ATOM 709 H LEU A 80 54.610 3.161 -3.495 1.00 0.00 H ATOM 710 N CYS A 81 52.286 5.044 -2.466 1.00 19.61 N ATOM 711 CA CYS A 81 51.662 6.257 -1.948 1.00 18.74 C ATOM 712 C CYS A 81 51.438 7.234 -3.095 1.00 17.43 C ATOM 713 O CYS A 81 50.420 7.907 -3.150 1.00 18.28 O ATOM 714 CB CYS A 81 52.518 6.901 -0.843 1.00 16.95 C ATOM 715 SG CYS A 81 52.393 6.051 0.765 1.00 20.33 S ATOM 716 H CYS A 81 53.208 4.742 -2.092 1.00 0.00 H ATOM 717 N GLY A 82 52.381 7.271 -4.030 1.00 17.39 N ATOM 718 CA GLY A 82 52.286 8.162 -5.171 1.00 20.06 C ATOM 719 C GLY A 82 51.121 7.838 -6.084 1.00 18.16 C ATOM 720 O GLY A 82 50.405 8.735 -6.533 1.00 17.63 O ATOM 721 H GLY A 82 53.208 6.646 -3.942 1.00 0.00 H ATOM 722 N LEU A 83 50.940 6.546 -6.363 1.00 17.71 N ATOM 723 CA LEU A 83 49.844 6.091 -7.210 1.00 15.16 C ATOM 724 C LEU A 83 48.486 6.254 -6.528 1.00 19.82 C ATOM 725 O LEU A 83 47.527 6.687 -7.160 1.00 20.99 O ATOM 726 CB LEU A 83 50.065 4.621 -7.608 1.00 18.36 C ATOM 727 CG LEU A 83 51.213 4.418 -8.596 1.00 23.92 C ATOM 728 CD1 LEU A 83 51.708 2.972 -8.615 1.00 22.50 C ATOM 729 CD2 LEU A 83 50.779 4.846 -9.998 1.00 26.10 C ATOM 730 H LEU A 83 51.598 5.845 -5.966 1.00 0.00 H ATOM 731 N LEU A 84 48.404 5.900 -5.246 1.00 18.33 N ATOM 732 CA LEU A 84 47.152 6.034 -4.510 1.00 17.74 C ATOM 733 C LEU A 84 46.784 7.507 -4.355 1.00 18.62 C ATOM 734 O LEU A 84 45.615 7.859 -4.387 1.00 18.49 O ATOM 735 CB LEU A 84 47.250 5.364 -3.132 1.00 19.49 C ATOM 736 CG LEU A 84 47.358 3.832 -3.139 1.00 20.55 C ATOM 737 CD1 LEU A 84 47.777 3.312 -1.757 1.00 21.11 C ATOM 738 CD2 LEU A 84 46.040 3.240 -3.546 1.00 23.91 C ATOM 739 H LEU A 84 49.245 5.523 -4.763 1.00 0.00 H ATOM 740 N ALA A 85 47.794 8.358 -4.187 1.00 16.77 N ATOM 741 CA ALA A 85 47.549 9.788 -4.046 1.00 20.02 C ATOM 742 C ALA A 85 46.975 10.381 -5.335 1.00 22.69 C ATOM 743 O ALA A 85 45.977 11.103 -5.310 1.00 23.50 O ATOM 744 CB ALA A 85 48.849 10.518 -3.641 1.00 18.04 C ATOM 745 H ALA A 85 48.769 7.998 -4.156 1.00 0.00 H ATOM 746 N GLU A 86 47.590 10.069 -6.467 1.00 18.40 N ATOM 747 CA GLU A 86 47.136 10.648 -7.728 1.00 21.30 C ATOM 748 C GLU A 86 45.839 10.015 -8.226 1.00 21.92 C ATOM 749 O GLU A 86 44.909 10.717 -8.621 1.00 20.78 O ATOM 750 CB GLU A 86 48.215 10.527 -8.815 1.00 20.66 C ATOM 751 CG GLU A 86 47.833 11.291 -10.102 1.00 21.02 C ATOM 752 CD GLU A 86 48.874 11.193 -11.188 1.00 26.28 C ATOM 753 OE1 GLU A 86 49.696 10.254 -11.139 1.00 27.56 O ATOM 754 OE2 GLU A 86 48.879 12.060 -12.089 1.00 32.85 O ATOM 755 H GLU A 86 48.396 9.412 -6.457 1.00 0.00 H ATOM 756 N ARG A 87 45.765 8.688 -8.216 1.00 18.71 N ATOM 757 CA ARG A 87 44.645 8.040 -8.888 1.00 17.90 C ATOM 758 C ARG A 87 43.405 7.920 -8.011 1.00 18.45 C ATOM 759 O ARG A 87 42.299 7.954 -8.531 1.00 20.71 O ATOM 760 CB ARG A 87 45.055 6.656 -9.401 1.00 19.65 C ATOM 761 CG ARG A 87 46.262 6.704 -10.335 1.00 19.62 C ATOM 762 CD ARG A 87 45.977 7.582 -11.579 1.00 23.08 C ATOM 763 NE ARG A 87 47.057 7.452 -12.555 1.00 19.70 N ATOM 764 CZ ARG A 87 47.410 8.373 -13.451 1.00 23.70 C ATOM 765 NH1 ARG A 87 46.754 9.526 -13.539 1.00 19.26 N ATOM 766 NH2 ARG A 87 48.429 8.128 -14.271 1.00 20.49 N ATOM 767 HE ARG A 87 47.597 6.563 -12.550 1.00 0.00 H ATOM 768 HH12 ARG A 87 47.041 10.235 -14.243 1.00 0.00 H ATOM 769 HH11 ARG A 87 45.954 9.719 -12.903 1.00 0.00 H ATOM 770 HH22 ARG A 87 48.713 8.840 -14.974 1.00 0.00 H ATOM 771 HH21 ARG A 87 48.941 7.225 -14.209 1.00 0.00 H ATOM 772 H ARG A 87 46.494 8.121 -7.737 1.00 0.00 H ATOM 773 N LEU A 88 43.585 7.760 -6.701 1.00 19.07 N ATOM 774 CA LEU A 88 42.448 7.599 -5.787 1.00 19.97 C ATOM 775 C LEU A 88 42.250 8.800 -4.859 1.00 20.43 C ATOM 776 O LEU A 88 41.327 8.813 -4.040 1.00 22.37 O ATOM 777 CB LEU A 88 42.608 6.323 -4.946 1.00 17.44 C ATOM 778 CG LEU A 88 42.635 4.986 -5.685 1.00 21.07 C ATOM 779 CD1 LEU A 88 42.506 3.848 -4.681 1.00 21.68 C ATOM 780 CD2 LEU A 88 41.522 4.913 -6.728 1.00 21.55 C ATOM 781 H LEU A 88 44.552 7.749 -6.318 1.00 0.00 H ATOM 782 N ARG A 89 43.126 9.798 -4.992 1.00 21.42 N ATOM 783 CA ARG A 89 43.044 11.044 -4.224 1.00 24.03 C ATOM 784 C ARG A 89 43.136 10.810 -2.716 1.00 24.57 C ATOM 785 O ARG A 89 42.477 11.491 -1.937 1.00 22.88 O ATOM 786 CB ARG A 89 41.747 11.802 -4.555 1.00 23.81 C ATOM 787 CG ARG A 89 41.488 11.995 -6.046 1.00 31.61 C ATOM 788 CD ARG A 89 40.169 12.747 -6.303 1.00 38.65 C ATOM 789 NE ARG A 89 40.105 14.038 -5.615 1.00 54.79 N ATOM 790 CZ ARG A 89 39.280 14.314 -4.605 1.00 63.21 C ATOM 791 NH1 ARG A 89 38.437 13.391 -4.161 1.00 61.43 N ATOM 792 NH2 ARG A 89 39.292 15.515 -4.038 1.00 62.17 N ATOM 793 HE ARG A 89 40.747 14.791 -5.936 1.00 0.00 H ATOM 794 HH12 ARG A 89 37.795 13.609 -3.373 1.00 0.00 H ATOM 795 HH11 ARG A 89 38.418 12.449 -4.601 1.00 0.00 H ATOM 796 HH22 ARG A 89 38.646 15.725 -3.250 1.00 0.00 H ATOM 797 HH21 ARG A 89 39.947 16.246 -4.382 1.00 0.00 H ATOM 798 H ARG A 89 43.904 9.686 -5.673 1.00 0.00 H ATOM 799 N ILE A 90 43.966 9.853 -2.311 1.00 18.88 N ATOM 800 CA ILE A 90 44.147 9.520 -0.903 1.00 19.60 C ATOM 801 C ILE A 90 45.424 10.175 -0.363 1.00 19.80 C ATOM 802 O ILE A 90 46.504 10.053 -0.965 1.00 21.79 O ATOM 803 CB ILE A 90 44.218 7.983 -0.705 1.00 19.27 C ATOM 804 CG1 ILE A 90 42.934 7.324 -1.228 1.00 17.06 C ATOM 805 CG2 ILE A 90 44.482 7.619 0.763 1.00 19.20 C ATOM 806 CD1 ILE A 90 43.008 5.826 -1.327 1.00 19.93 C ATOM 807 H ILE A 90 44.506 9.323 -3.025 1.00 0.00 H ATOM 808 N SER A 91 45.306 10.877 0.760 1.00 20.14 N ATOM 809 CA SER A 91 46.478 11.466 1.406 1.00 20.97 C ATOM 810 C SER A 91 47.452 10.366 1.810 1.00 23.62 C ATOM 811 O SER A 91 47.042 9.347 2.362 1.00 19.39 O ATOM 812 CB SER A 91 46.070 12.291 2.629 1.00 23.92 C ATOM 813 OG SER A 91 45.224 13.363 2.259 1.00 25.36 O ATOM 814 HG SER A 91 44.407 13.004 1.831 1.00 0.00 H ATOM 815 H SER A 91 44.366 11.009 1.185 1.00 0.00 H ATOM 816 N PRO A 92 48.756 10.561 1.542 1.00 21.61 N ATOM 817 CA PRO A 92 49.711 9.480 1.818 1.00 20.09 C ATOM 818 C PRO A 92 49.877 9.142 3.291 1.00 20.09 C ATOM 819 O PRO A 92 50.409 8.066 3.590 1.00 21.26 O ATOM 820 CB PRO A 92 51.034 10.013 1.245 1.00 20.36 C ATOM 821 CG PRO A 92 50.854 11.509 1.172 1.00 18.72 C ATOM 822 CD PRO A 92 49.394 11.716 0.882 1.00 22.41 C ATOM 823 N ASP A 93 49.455 10.023 4.192 1.00 21.46 N ATOM 824 CA ASP A 93 49.570 9.697 5.611 1.00 21.92 C ATOM 825 C ASP A 93 48.330 8.949 6.086 1.00 21.73 C ATOM 826 O ASP A 93 48.166 8.716 7.275 1.00 20.32 O ATOM 827 CB ASP A 93 49.823 10.950 6.475 1.00 22.34 C ATOM 828 CG ASP A 93 48.771 12.040 6.291 1.00 29.15 C ATOM 829 OD1 ASP A 93 47.752 11.832 5.604 1.00 24.69 O ATOM 830 OD2 ASP A 93 48.970 13.135 6.861 1.00 28.32 O ATOM 831 H ASP A 93 49.049 10.932 3.891 1.00 0.00 H ATOM 832 N ARG A 94 47.480 8.542 5.147 1.00 18.70 N ATOM 833 CA ARG A 94 46.318 7.708 5.471 1.00 19.47 C ATOM 834 C ARG A 94 46.360 6.404 4.682 1.00 18.82 C ATOM 835 O ARG A 94 45.326 5.862 4.287 1.00 20.04 O ATOM 836 CB ARG A 94 45.014 8.466 5.203 1.00 20.69 C ATOM 837 CG ARG A 94 44.858 9.692 6.099 1.00 24.00 C ATOM 838 CD ARG A 94 43.588 10.476 5.826 1.00 22.52 C ATOM 839 NE ARG A 94 42.361 9.698 6.003 1.00 23.20 N ATOM 840 CZ ARG A 94 41.840 9.348 7.177 1.00 24.03 C ATOM 841 NH1 ARG A 94 42.442 9.683 8.309 1.00 24.21 N ATOM 842 NH2 ARG A 94 40.716 8.642 7.218 1.00 22.69 N ATOM 843 HE ARG A 94 41.857 9.395 5.145 1.00 0.00 H ATOM 844 HH12 ARG A 94 42.027 9.405 9.221 1.00 0.00 H ATOM 845 HH11 ARG A 94 43.330 10.224 8.285 1.00 0.00 H ATOM 846 HH22 ARG A 94 40.307 8.368 8.134 1.00 0.00 H ATOM 847 HH21 ARG A 94 40.244 8.363 6.334 1.00 0.00 H ATOM 848 H ARG A 94 47.644 8.822 4.159 1.00 0.00 H ATOM 849 N VAL A 95 47.581 5.914 4.490 1.00 19.33 N ATOM 850 CA VAL A 95 47.863 4.658 3.803 1.00 18.02 C ATOM 851 C VAL A 95 48.778 3.799 4.670 1.00 21.81 C ATOM 852 O VAL A 95 49.835 4.258 5.100 1.00 20.04 O ATOM 853 CB VAL A 95 48.555 4.898 2.432 1.00 18.08 C ATOM 854 CG1 VAL A 95 48.921 3.562 1.755 1.00 18.72 C ATOM 855 CG2 VAL A 95 47.676 5.757 1.523 1.00 21.17 C ATOM 856 H VAL A 95 48.387 6.461 4.853 1.00 0.00 H ATOM 857 N TYR A 96 48.382 2.558 4.938 1.00 18.55 N ATOM 858 CA TYR A 96 49.309 1.573 5.508 1.00 19.14 C ATOM 859 C TYR A 96 49.536 0.499 4.454 1.00 19.74 C ATOM 860 O TYR A 96 48.605 0.121 3.746 1.00 20.18 O ATOM 861 CB TYR A 96 48.771 0.935 6.800 1.00 21.01 C ATOM 862 CG TYR A 96 48.774 1.833 8.019 1.00 20.74 C ATOM 863 CD1 TYR A 96 49.813 2.739 8.245 1.00 20.62 C ATOM 864 CD2 TYR A 96 47.741 1.776 8.949 1.00 18.95 C ATOM 865 CE1 TYR A 96 49.816 3.566 9.355 1.00 21.56 C ATOM 866 CE2 TYR A 96 47.738 2.593 10.080 1.00 21.33 C ATOM 867 CZ TYR A 96 48.783 3.490 10.271 1.00 22.57 C ATOM 868 OH TYR A 96 48.778 4.301 11.381 1.00 23.81 O ATOM 869 HH TYR A 96 48.781 3.741 12.197 1.00 0.00 H ATOM 870 H TYR A 96 47.399 2.281 4.740 1.00 0.00 H ATOM 871 N ILE A 97 50.777 0.048 4.327 1.00 17.83 N ATOM 872 CA ILE A 97 51.116 -1.037 3.426 1.00 15.32 C ATOM 873 C ILE A 97 51.887 -2.082 4.213 1.00 21.13 C ATOM 874 O ILE A 97 52.977 -1.810 4.719 1.00 20.16 O ATOM 875 CB ILE A 97 51.966 -0.570 2.218 1.00 17.48 C ATOM 876 CG1 ILE A 97 51.296 0.596 1.490 1.00 20.04 C ATOM 877 CG2 ILE A 97 52.176 -1.743 1.261 1.00 16.54 C ATOM 878 CD1 ILE A 97 52.265 1.442 0.666 1.00 23.93 C ATOM 879 H ILE A 97 51.532 0.487 4.892 1.00 0.00 H ATOM 880 N ASN A 98 51.306 -3.268 4.343 1.00 19.51 N ATOM 881 CA ASN A 98 52.000 -4.380 4.963 1.00 15.26 C ATOM 882 C ASN A 98 52.795 -5.167 3.935 1.00 21.13 C ATOM 883 O ASN A 98 52.255 -5.555 2.898 1.00 20.67 O ATOM 884 CB ASN A 98 51.002 -5.287 5.680 1.00 19.16 C ATOM 885 CG ASN A 98 50.368 -4.608 6.869 1.00 22.57 C ATOM 886 OD1 ASN A 98 50.995 -3.761 7.514 1.00 24.82 O ATOM 887 ND2 ASN A 98 49.119 -4.957 7.164 1.00 24.39 N ATOM 888 HD22 ASN A 98 48.631 -5.676 6.592 1.00 0.00 H ATOM 889 HD21 ASN A 98 48.630 -4.511 7.967 1.00 0.00 H ATOM 890 H ASN A 98 50.336 -3.402 3.994 1.00 0.00 H ATOM 891 N TYR A 99 54.075 -5.382 4.230 1.00 17.49 N ATOM 892 CA TYR A 99 54.981 -6.098 3.347 1.00 18.54 C ATOM 893 C TYR A 99 55.224 -7.508 3.859 1.00 18.49 C ATOM 894 O TYR A 99 55.458 -7.704 5.056 1.00 18.65 O ATOM 895 CB TYR A 99 56.308 -5.356 3.232 1.00 16.84 C ATOM 896 CG TYR A 99 56.143 -4.020 2.561 1.00 18.05 C ATOM 897 CD1 TYR A 99 55.962 -3.939 1.189 1.00 17.42 C ATOM 898 CD2 TYR A 99 56.125 -2.846 3.297 1.00 17.69 C ATOM 899 CE1 TYR A 99 55.796 -2.713 0.558 1.00 17.88 C ATOM 900 CE2 TYR A 99 55.954 -1.604 2.667 1.00 19.05 C ATOM 901 CZ TYR A 99 55.782 -1.556 1.298 1.00 23.45 C ATOM 902 OH TYR A 99 55.600 -0.340 0.662 1.00 20.33 O ATOM 903 HH TYR A 99 56.388 0.237 0.824 1.00 0.00 H ATOM 904 H TYR A 99 54.444 -5.021 5.133 1.00 0.00 H ATOM 905 N TYR A 100 55.158 -8.473 2.946 1.00 19.12 N ATOM 906 CA TYR A 100 55.351 -9.881 3.285 1.00 17.00 C ATOM 907 C TYR A 100 56.335 -10.555 2.359 1.00 18.14 C ATOM 908 O TYR A 100 56.125 -10.639 1.151 1.00 18.63 O ATOM 909 CB TYR A 100 54.023 -10.642 3.237 1.00 17.41 C ATOM 910 CG TYR A 100 52.977 -10.076 4.157 1.00 19.52 C ATOM 911 CD1 TYR A 100 52.893 -10.493 5.475 1.00 20.76 C ATOM 912 CD2 TYR A 100 52.072 -9.123 3.705 1.00 17.05 C ATOM 913 CE1 TYR A 100 51.932 -9.980 6.325 1.00 23.34 C ATOM 914 CE2 TYR A 100 51.105 -8.616 4.535 1.00 18.94 C ATOM 915 CZ TYR A 100 51.042 -9.042 5.846 1.00 21.77 C ATOM 916 OH TYR A 100 50.089 -8.516 6.674 1.00 21.84 O ATOM 917 HH TYR A 100 49.190 -8.712 6.307 1.00 0.00 H ATOM 918 H TYR A 100 54.962 -8.217 1.957 1.00 0.00 H ATOM 919 N ASP A 101 57.408 -11.067 2.942 1.00 20.18 N ATOM 920 CA ASP A 101 58.382 -11.843 2.202 1.00 21.46 C ATOM 921 C ASP A 101 58.001 -13.317 2.312 1.00 24.17 C ATOM 922 O ASP A 101 58.178 -13.922 3.371 1.00 24.86 O ATOM 923 CB ASP A 101 59.787 -11.579 2.760 1.00 23.37 C ATOM 924 CG ASP A 101 60.881 -12.285 1.978 1.00 27.60 C ATOM 925 OD1 ASP A 101 60.589 -12.921 0.939 1.00 26.35 O ATOM 926 OD2 ASP A 101 62.053 -12.170 2.399 1.00 32.80 O ATOM 927 H ASP A 101 57.556 -10.908 3.959 1.00 0.00 H ATOM 928 N MET A 102 57.458 -13.877 1.231 1.00 21.52 N ATOM 929 CA MET A 102 56.935 -15.244 1.240 1.00 19.17 C ATOM 930 C MET A 102 58.000 -16.274 0.855 1.00 23.36 C ATOM 931 O MET A 102 58.796 -16.049 -0.063 1.00 22.45 O ATOM 932 CB MET A 102 55.751 -15.372 0.275 1.00 19.89 C ATOM 933 CG MET A 102 54.582 -14.429 0.576 1.00 22.81 C ATOM 934 SD MET A 102 53.787 -14.856 2.129 1.00 23.08 S ATOM 935 CE MET A 102 52.958 -16.386 1.691 1.00 21.34 C ATOM 936 H MET A 102 57.404 -13.324 0.352 1.00 0.00 H ATOM 937 N ASN A 103 58.001 -17.410 1.546 1.00 22.71 N ATOM 938 CA ASN A 103 58.758 -18.568 1.086 1.00 21.88 C ATOM 939 C ASN A 103 58.083 -19.160 -0.138 1.00 22.49 C ATOM 940 O ASN A 103 56.859 -19.278 -0.170 1.00 20.18 O ATOM 941 CB ASN A 103 58.856 -19.629 2.189 1.00 26.66 C ATOM 942 CG ASN A 103 59.945 -20.660 1.925 1.00 29.32 C ATOM 943 OD1 ASN A 103 59.809 -21.537 1.065 1.00 28.07 O ATOM 944 ND2 ASN A 103 61.038 -20.560 2.674 1.00 35.31 N ATOM 945 HD22 ASN A 103 61.113 -19.807 3.387 1.00 0.00 H ATOM 946 HD21 ASN A 103 61.819 -21.235 2.547 1.00 0.00 H ATOM 947 H ASN A 103 57.454 -17.473 2.428 1.00 0.00 H ATOM 948 N ALA A 104 58.875 -19.548 -1.136 1.00 20.40 N ATOM 949 CA ALA A 104 58.344 -20.141 -2.352 1.00 21.67 C ATOM 950 C ALA A 104 57.520 -21.395 -2.048 1.00 24.01 C ATOM 951 O ALA A 104 56.560 -21.680 -2.745 1.00 22.88 O ATOM 952 CB ALA A 104 59.474 -20.478 -3.326 1.00 26.66 C ATOM 953 H ALA A 104 59.903 -19.423 -1.042 1.00 0.00 H ATOM 954 N ALA A 105 57.887 -22.126 -0.997 1.00 20.29 N ATOM 955 CA ALA A 105 57.133 -23.319 -0.606 1.00 24.06 C ATOM 956 C ALA A 105 55.754 -23.007 -0.034 1.00 23.89 C ATOM 957 O ALA A 105 54.934 -23.917 0.123 1.00 21.38 O ATOM 958 CB ALA A 105 57.920 -24.139 0.398 1.00 28.21 C ATOM 959 H ALA A 105 58.722 -21.845 -0.445 1.00 0.00 H ATOM 960 N ASN A 106 55.509 -21.740 0.280 1.00 18.99 N ATOM 961 CA ASN A 106 54.229 -21.310 0.854 1.00 20.06 C ATOM 962 C ASN A 106 53.402 -20.479 -0.105 1.00 18.92 C ATOM 963 O ASN A 106 52.463 -19.789 0.299 1.00 19.56 O ATOM 964 CB ASN A 106 54.460 -20.520 2.143 1.00 17.59 C ATOM 965 CG ASN A 106 55.031 -21.373 3.253 1.00 22.67 C ATOM 966 OD1 ASN A 106 54.785 -22.574 3.304 1.00 25.43 O ATOM 967 ND2 ASN A 106 55.793 -20.754 4.154 1.00 22.45 N ATOM 968 HD22 ASN A 106 55.974 -19.733 4.069 1.00 0.00 H ATOM 969 HD21 ASN A 106 56.207 -21.292 4.942 1.00 0.00 H ATOM 970 H ASN A 106 56.249 -21.029 0.113 1.00 0.00 H ATOM 971 N VAL A 107 53.744 -20.548 -1.384 1.00 17.66 N ATOM 972 CA VAL A 107 52.945 -19.899 -2.404 1.00 17.03 C ATOM 973 C VAL A 107 52.511 -20.930 -3.431 1.00 17.26 C ATOM 974 O VAL A 107 53.334 -21.489 -4.154 1.00 22.30 O ATOM 975 CB VAL A 107 53.712 -18.749 -3.100 1.00 19.30 C ATOM 976 CG1 VAL A 107 52.840 -18.112 -4.190 1.00 20.81 C ATOM 977 CG2 VAL A 107 54.117 -17.708 -2.080 1.00 18.57 C ATOM 978 H VAL A 107 54.597 -21.075 -1.659 1.00 0.00 H ATOM 979 N GLY A 108 51.205 -21.174 -3.488 1.00 20.00 N ATOM 980 CA GLY A 108 50.635 -22.104 -4.440 1.00 18.38 C ATOM 981 C GLY A 108 50.275 -21.426 -5.751 1.00 20.54 C ATOM 982 O GLY A 108 49.882 -20.251 -5.775 1.00 20.47 O ATOM 983 H GLY A 108 50.572 -20.680 -2.827 1.00 0.00 H ATOM 984 N TRP A 109 50.403 -22.180 -6.842 1.00 19.01 N ATOM 985 CA TRP A 109 50.124 -21.710 -8.197 1.00 21.21 C ATOM 986 C TRP A 109 50.041 -22.914 -9.132 1.00 19.17 C ATOM 987 O TRP A 109 50.872 -23.818 -9.036 1.00 22.17 O ATOM 988 CB TRP A 109 51.211 -20.732 -8.693 1.00 20.79 C ATOM 989 CG TRP A 109 51.034 -20.332 -10.137 1.00 18.02 C ATOM 990 CD1 TRP A 109 50.067 -19.514 -10.652 1.00 22.10 C ATOM 991 CD2 TRP A 109 51.843 -20.744 -11.247 1.00 21.61 C ATOM 992 NE1 TRP A 109 50.220 -19.401 -12.019 1.00 21.09 N ATOM 993 CE2 TRP A 109 51.307 -20.135 -12.402 1.00 21.84 C ATOM 994 CE3 TRP A 109 52.965 -21.573 -11.376 1.00 22.05 C ATOM 995 CZ2 TRP A 109 51.853 -20.344 -13.677 1.00 22.88 C ATOM 996 CZ3 TRP A 109 53.508 -21.768 -12.641 1.00 23.20 C ATOM 997 CH2 TRP A 109 52.950 -21.154 -13.771 1.00 26.14 C ATOM 998 HE1 TRP A 109 49.609 -18.848 -12.653 1.00 0.00 H ATOM 999 H TRP A 109 50.721 -23.163 -6.722 1.00 0.00 H ATOM 1000 N ASN A 110 49.044 -22.927 -10.013 1.00 17.55 N ATOM 1001 CA ASN A 110 48.980 -23.915 -11.095 1.00 21.00 C ATOM 1002 C ASN A 110 49.124 -25.362 -10.584 1.00 21.98 C ATOM 1003 O ASN A 110 49.954 -26.119 -11.085 1.00 23.46 O ATOM 1004 CB ASN A 110 50.066 -23.599 -12.129 1.00 20.46 C ATOM 1005 CG ASN A 110 49.902 -24.367 -13.428 1.00 22.76 C ATOM 1006 OD1 ASN A 110 48.791 -24.589 -13.905 1.00 21.09 O ATOM 1007 ND2 ASN A 110 51.025 -24.779 -14.007 1.00 26.40 N ATOM 1008 HD22 ASN A 110 51.944 -24.569 -13.568 1.00 0.00 H ATOM 1009 HD21 ASN A 110 50.985 -25.312 -14.899 1.00 0.00 H ATOM 1010 H ASN A 110 48.289 -22.217 -9.932 1.00 0.00 H ATOM 1011 N ASN A 111 48.337 -25.703 -9.563 1.00 22.38 N ATOM 1012 CA ASN A 111 48.264 -27.056 -8.966 1.00 22.14 C ATOM 1013 C ASN A 111 49.470 -27.456 -8.127 1.00 25.00 C ATOM 1014 O ASN A 111 49.573 -28.605 -7.693 1.00 25.71 O ATOM 1015 CB ASN A 111 48.065 -28.130 -10.047 1.00 22.15 C ATOM 1016 CG ASN A 111 46.757 -27.989 -10.773 1.00 28.13 C ATOM 1017 OD1 ASN A 111 45.718 -27.797 -10.160 1.00 32.26 O ATOM 1018 ND2 ASN A 111 46.799 -28.091 -12.093 1.00 39.11 N ATOM 1019 HD22 ASN A 111 47.707 -28.255 -12.573 1.00 0.00 H ATOM 1020 HD21 ASN A 111 45.924 -28.007 -12.649 1.00 0.00 H ATOM 1021 H ASN A 111 47.729 -24.964 -9.156 1.00 0.00 H ATOM 1022 N SER A 112 50.383 -26.521 -7.897 1.00 22.54 N ATOM 1023 CA SER A 112 51.597 -26.834 -7.169 1.00 21.62 C ATOM 1024 C SER A 112 52.043 -25.620 -6.367 1.00 21.11 C ATOM 1025 O SER A 112 51.255 -24.718 -6.117 1.00 22.37 O ATOM 1026 CB SER A 112 52.694 -27.283 -8.146 1.00 27.46 C ATOM 1027 OG SER A 112 53.817 -27.818 -7.476 1.00 26.61 O ATOM 1028 HG SER A 112 54.496 -28.093 -8.141 1.00 0.00 H ATOM 1029 H SER A 112 50.226 -25.553 -8.243 1.00 0.00 H ATOM 1030 N THR A 113 53.294 -25.614 -5.942 1.00 19.06 N ATOM 1031 CA THR A 113 53.876 -24.413 -5.334 1.00 23.54 C ATOM 1032 C THR A 113 55.126 -24.020 -6.108 1.00 24.96 C ATOM 1033 O THR A 113 55.590 -24.762 -6.976 1.00 27.12 O ATOM 1034 CB THR A 113 54.251 -24.614 -3.862 1.00 21.17 C ATOM 1035 OG1 THR A 113 55.356 -25.518 -3.778 1.00 23.34 O ATOM 1036 CG2 THR A 113 53.077 -25.164 -3.040 1.00 19.08 C ATOM 1037 HG1 THR A 113 55.601 -25.650 -2.828 1.00 0.00 H ATOM 1038 H THR A 113 53.873 -26.472 -6.040 1.00 0.00 H ATOM 1039 N PHE A 114 55.694 -22.867 -5.777 1.00 21.93 N ATOM 1040 CA PHE A 114 56.857 -22.389 -6.508 1.00 20.38 C ATOM 1041 C PHE A 114 58.165 -23.057 -6.065 1.00 28.95 C ATOM 1042 O PHE A 114 59.192 -22.906 -6.726 1.00 28.18 O ATOM 1043 CB PHE A 114 56.953 -20.862 -6.387 1.00 22.56 C ATOM 1044 CG PHE A 114 56.051 -20.136 -7.345 1.00 23.81 C ATOM 1045 CD1 PHE A 114 56.286 -20.194 -8.709 1.00 24.85 C ATOM 1046 CD2 PHE A 114 54.950 -19.419 -6.887 1.00 22.40 C ATOM 1047 CE1 PHE A 114 55.452 -19.536 -9.602 1.00 28.44 C ATOM 1048 CE2 PHE A 114 54.116 -18.763 -7.770 1.00 23.11 C ATOM 1049 CZ PHE A 114 54.359 -18.821 -9.129 1.00 23.82 C ATOM 1050 H PHE A 114 55.307 -22.304 -4.993 1.00 0.00 H ATOM 1051 N ALA A 115 58.124 -23.808 -4.966 1.00 25.39 N ATOM 1052 CA ALA A 115 59.320 -24.486 -4.458 1.00 24.80 C ATOM 1053 C ALA A 115 59.791 -25.573 -5.418 1.00 29.99 C ATOM 1054 O ALA A 115 58.983 -26.204 -6.100 1.00 34.59 O ATOM 1055 CB ALA A 115 59.056 -25.084 -3.079 1.00 23.23 C ATOM 1056 OXT ALA A 115 60.986 -25.840 -5.541 1.00 35.31 O ATOM 1057 H ALA A 115 57.223 -23.916 -4.457 1.00 0.00 H TER 1058 ALA A 115 ATOM 1059 N PRO B 2 47.901 -0.263 16.040 1.00 25.13 N ATOM 1060 CA PRO B 2 47.352 -1.430 15.335 1.00 24.05 C ATOM 1061 C PRO B 2 46.357 -1.156 14.219 1.00 23.83 C ATOM 1062 O PRO B 2 45.776 -0.070 14.106 1.00 23.51 O ATOM 1063 CB PRO B 2 46.666 -2.221 16.460 1.00 25.34 C ATOM 1064 CG PRO B 2 46.460 -1.233 17.572 1.00 27.88 C ATOM 1065 CD PRO B 2 47.671 -0.343 17.490 1.00 30.29 C ATOM 1066 HN2 PRO B 2 47.445 0.597 15.674 1.00 0.00 H ATOM 1067 HN1 PRO B 2 48.925 -0.214 15.863 1.00 0.00 H ATOM 1068 N MET B 3 46.175 -2.170 13.378 1.00 21.23 N ATOM 1069 CA MET B 3 45.062 -2.166 12.455 1.00 16.93 C ATOM 1070 C MET B 3 44.250 -3.426 12.692 1.00 19.95 C ATOM 1071 O MET B 3 44.796 -4.508 12.899 1.00 19.94 O ATOM 1072 CB MET B 3 45.513 -2.058 10.990 1.00 23.70 C ATOM 1073 CG MET B 3 46.596 -3.014 10.562 1.00 23.93 C ATOM 1074 SD MET B 3 46.960 -2.864 8.784 1.00 29.66 S ATOM 1075 CE MET B 3 45.546 -3.661 8.055 1.00 24.44 C ATOM 1076 H MET B 3 46.838 -2.971 13.384 1.00 0.00 H ATOM 1077 N PHE B 4 42.939 -3.256 12.677 1.00 20.27 N ATOM 1078 CA PHE B 4 42.013 -4.343 12.956 1.00 18.00 C ATOM 1079 C PHE B 4 41.017 -4.481 11.821 1.00 19.33 C ATOM 1080 O PHE B 4 40.428 -3.488 11.373 1.00 20.34 O ATOM 1081 CB PHE B 4 41.297 -4.076 14.283 1.00 20.27 C ATOM 1082 CG PHE B 4 40.303 -5.132 14.668 1.00 21.10 C ATOM 1083 CD1 PHE B 4 40.715 -6.419 14.975 1.00 21.37 C ATOM 1084 CD2 PHE B 4 38.966 -4.815 14.782 1.00 21.74 C ATOM 1085 CE1 PHE B 4 39.782 -7.394 15.348 1.00 18.71 C ATOM 1086 CE2 PHE B 4 38.044 -5.765 15.174 1.00 26.99 C ATOM 1087 CZ PHE B 4 38.456 -7.063 15.444 1.00 22.36 C ATOM 1088 H PHE B 4 42.557 -2.314 12.458 1.00 0.00 H ATOM 1089 N ILE B 5 40.849 -5.713 11.339 1.00 17.05 N ATOM 1090 CA ILE B 5 39.914 -6.003 10.267 1.00 18.12 C ATOM 1091 C ILE B 5 38.918 -7.080 10.709 1.00 19.10 C ATOM 1092 O ILE B 5 39.320 -8.084 11.307 1.00 18.47 O ATOM 1093 CB ILE B 5 40.640 -6.502 9.002 1.00 18.79 C ATOM 1094 CG1 ILE B 5 41.699 -5.482 8.533 1.00 21.39 C ATOM 1095 CG2 ILE B 5 39.630 -6.818 7.879 1.00 17.66 C ATOM 1096 CD1 ILE B 5 42.719 -6.082 7.557 1.00 22.39 C ATOM 1097 H ILE B 5 41.406 -6.492 11.745 1.00 0.00 H ATOM 1098 N VAL B 6 37.636 -6.861 10.433 1.00 18.70 N ATOM 1099 CA VAL B 6 36.597 -7.879 10.666 1.00 20.10 C ATOM 1100 C VAL B 6 35.836 -8.213 9.397 1.00 19.39 C ATOM 1101 O VAL B 6 35.288 -7.331 8.763 1.00 21.49 O ATOM 1102 CB VAL B 6 35.509 -7.434 11.676 1.00 24.84 C ATOM 1103 CG1 VAL B 6 34.621 -8.626 12.058 1.00 23.48 C ATOM 1104 CG2 VAL B 6 36.102 -6.830 12.876 1.00 25.45 C ATOM 1105 H VAL B 6 37.357 -5.940 10.039 1.00 0.00 H ATOM 1106 N ASN B 7 35.778 -9.498 9.056 1.00 16.79 N ATOM 1107 CA ASN B 7 34.949 -9.964 7.955 1.00 18.75 C ATOM 1108 C ASN B 7 33.833 -10.813 8.536 1.00 16.49 C ATOM 1109 O ASN B 7 34.091 -11.690 9.339 1.00 20.16 O ATOM 1110 CB ASN B 7 35.777 -10.758 6.944 1.00 19.52 C ATOM 1111 CG ASN B 7 36.393 -9.876 5.883 1.00 20.64 C ATOM 1112 OD1 ASN B 7 35.828 -9.705 4.806 1.00 20.82 O ATOM 1113 ND2 ASN B 7 37.553 -9.306 6.182 1.00 20.69 N ATOM 1114 HD22 ASN B 7 37.995 -9.480 7.107 1.00 0.00 H ATOM 1115 HD21 ASN B 7 38.021 -8.685 5.491 1.00 0.00 H ATOM 1116 H ASN B 7 36.341 -10.189 9.592 1.00 0.00 H ATOM 1117 N THR B 8 32.595 -10.533 8.146 1.00 17.51 N ATOM 1118 CA THR B 8 31.467 -11.215 8.778 1.00 22.81 C ATOM 1119 C THR B 8 30.302 -11.395 7.818 1.00 20.53 C ATOM 1120 O THR B 8 30.128 -10.613 6.878 1.00 20.22 O ATOM 1121 CB THR B 8 30.991 -10.446 10.057 1.00 20.77 C ATOM 1122 OG1 THR B 8 29.952 -11.179 10.721 1.00 21.28 O ATOM 1123 CG2 THR B 8 30.448 -9.060 9.709 1.00 17.54 C ATOM 1124 HG1 THR B 8 30.296 -12.068 10.987 1.00 0.00 H ATOM 1125 H THR B 8 32.429 -9.833 7.395 1.00 0.00 H ATOM 1126 N ASN B 9 29.518 -12.449 8.039 1.00 19.61 N ATOM 1127 CA ASN B 9 28.312 -12.679 7.241 1.00 20.34 C ATOM 1128 C ASN B 9 27.101 -11.933 7.795 1.00 22.13 C ATOM 1129 O ASN B 9 26.022 -11.971 7.218 1.00 24.05 O ATOM 1130 CB ASN B 9 28.013 -14.188 7.130 1.00 19.35 C ATOM 1131 CG ASN B 9 27.862 -14.871 8.480 1.00 21.42 C ATOM 1132 OD1 ASN B 9 28.149 -14.289 9.519 1.00 20.28 O ATOM 1133 ND2 ASN B 9 27.426 -16.141 8.464 1.00 19.98 N ATOM 1134 HD22 ASN B 9 27.193 -16.599 7.560 1.00 0.00 H ATOM 1135 HD21 ASN B 9 27.322 -16.666 9.356 1.00 0.00 H ATOM 1136 H ASN B 9 29.767 -13.121 8.792 1.00 0.00 H ATOM 1137 N VAL B 10 27.290 -11.218 8.897 1.00 22.57 N ATOM 1138 CA VAL B 10 26.215 -10.416 9.472 1.00 26.00 C ATOM 1139 C VAL B 10 25.883 -9.246 8.530 1.00 24.80 C ATOM 1140 O VAL B 10 26.783 -8.629 7.957 1.00 24.51 O ATOM 1141 CB VAL B 10 26.619 -9.926 10.883 1.00 26.26 C ATOM 1142 CG1 VAL B 10 25.755 -8.792 11.362 1.00 33.84 C ATOM 1143 CG2 VAL B 10 26.592 -11.099 11.868 1.00 25.14 C ATOM 1144 H VAL B 10 28.222 -11.229 9.359 1.00 0.00 H ATOM 1145 N PRO B 11 24.587 -8.958 8.332 1.00 24.31 N ATOM 1146 CA PRO B 11 24.265 -7.926 7.339 1.00 26.25 C ATOM 1147 C PRO B 11 24.656 -6.515 7.786 1.00 27.23 C ATOM 1148 O PRO B 11 24.752 -6.228 8.985 1.00 28.27 O ATOM 1149 CB PRO B 11 22.747 -8.060 7.165 1.00 28.31 C ATOM 1150 CG PRO B 11 22.269 -8.775 8.371 1.00 32.88 C ATOM 1151 CD PRO B 11 23.388 -9.643 8.847 1.00 30.26 C ATOM 1152 N ARG B 12 24.911 -5.658 6.800 1.00 28.06 N ATOM 1153 CA ARG B 12 25.366 -4.294 7.022 1.00 25.01 C ATOM 1154 C ARG B 12 24.499 -3.541 8.029 1.00 24.86 C ATOM 1155 O ARG B 12 25.008 -2.799 8.870 1.00 31.47 O ATOM 1156 CB ARG B 12 25.384 -3.531 5.695 1.00 29.41 C ATOM 1157 CG ARG B 12 25.844 -2.096 5.833 1.00 42.43 C ATOM 1158 CD ARG B 12 25.852 -1.375 4.494 1.00 54.87 C ATOM 1159 NE ARG B 12 26.483 -0.060 4.599 1.00 64.57 N ATOM 1160 CZ ARG B 12 26.884 0.667 3.559 1.00 66.83 C ATOM 1161 NH1 ARG B 12 26.727 0.212 2.321 1.00 68.05 N ATOM 1162 NH2 ARG B 12 27.447 1.851 3.759 1.00 69.33 N ATOM 1163 HE ARG B 12 26.628 0.334 5.551 1.00 0.00 H ATOM 1164 HH12 ARG B 12 27.043 0.785 1.512 1.00 0.00 H ATOM 1165 HH11 ARG B 12 26.289 -0.717 2.160 1.00 0.00 H ATOM 1166 HH22 ARG B 12 27.761 2.421 2.948 1.00 0.00 H ATOM 1167 HH21 ARG B 12 27.574 2.209 4.727 1.00 0.00 H ATOM 1168 H ARG B 12 24.778 -5.980 5.820 1.00 0.00 H ATOM 1169 N ALA B 13 23.190 -3.759 7.949 1.00 28.92 N ATOM 1170 CA ALA B 13 22.250 -3.026 8.794 1.00 37.56 C ATOM 1171 C ALA B 13 22.387 -3.404 10.267 1.00 37.74 C ATOM 1172 O ALA B 13 21.993 -2.637 11.139 1.00 36.25 O ATOM 1173 CB ALA B 13 20.822 -3.254 8.316 1.00 34.36 C ATOM 1174 H ALA B 13 22.829 -4.463 7.274 1.00 0.00 H ATOM 1175 N SER B 14 22.959 -4.573 10.543 1.00 30.35 N ATOM 1176 CA SER B 14 23.178 -5.003 11.925 1.00 31.59 C ATOM 1177 C SER B 14 24.459 -4.432 12.540 1.00 34.23 C ATOM 1178 O SER B 14 24.737 -4.640 13.719 1.00 33.20 O ATOM 1179 CB SER B 14 23.212 -6.527 12.003 1.00 33.11 C ATOM 1180 OG SER B 14 22.017 -7.089 11.492 1.00 38.77 O ATOM 1181 HG SER B 14 22.065 -8.076 11.554 1.00 0.00 H ATOM 1182 H SER B 14 23.256 -5.193 9.762 1.00 0.00 H ATOM 1183 N VAL B 15 25.243 -3.718 11.741 1.00 31.03 N ATOM 1184 CA VAL B 15 26.407 -3.028 12.267 1.00 29.94 C ATOM 1185 C VAL B 15 25.930 -1.701 12.836 1.00 37.02 C ATOM 1186 O VAL B 15 25.340 -0.896 12.123 1.00 36.75 O ATOM 1187 CB VAL B 15 27.491 -2.800 11.190 1.00 31.52 C ATOM 1188 CG1 VAL B 15 28.690 -2.046 11.775 1.00 34.48 C ATOM 1189 CG2 VAL B 15 27.938 -4.134 10.606 1.00 32.35 C ATOM 1190 H VAL B 15 25.021 -3.652 10.727 1.00 0.00 H ATOM 1191 N PRO B 16 26.157 -1.483 14.135 1.00 36.52 N ATOM 1192 CA PRO B 16 25.684 -0.260 14.788 1.00 36.93 C ATOM 1193 C PRO B 16 26.433 0.974 14.309 1.00 39.11 C ATOM 1194 O PRO B 16 27.641 0.898 14.078 1.00 37.65 O ATOM 1195 CB PRO B 16 25.971 -0.514 16.274 1.00 40.64 C ATOM 1196 CG PRO B 16 26.247 -1.989 16.389 1.00 39.21 C ATOM 1197 CD PRO B 16 26.834 -2.388 15.076 1.00 34.61 C ATOM 1198 N ASP B 17 25.729 2.091 14.159 1.00 40.90 N ATOM 1199 CA ASP B 17 26.405 3.374 14.013 1.00 43.40 C ATOM 1200 C ASP B 17 27.319 3.550 15.218 1.00 42.88 C ATOM 1201 O ASP B 17 26.908 3.317 16.357 1.00 44.23 O ATOM 1202 CB ASP B 17 25.414 4.542 13.926 1.00 43.01 C ATOM 1203 CG ASP B 17 24.459 4.423 12.753 1.00 58.50 C ATOM 1204 OD1 ASP B 17 23.332 4.952 12.857 1.00 64.49 O ATOM 1205 OD2 ASP B 17 24.829 3.806 11.729 1.00 57.48 O ATOM 1206 H ASP B 17 24.690 2.050 14.146 1.00 0.00 H ATOM 1207 N GLY B 18 28.562 3.939 14.971 1.00 35.99 N ATOM 1208 CA GLY B 18 29.509 4.139 16.048 1.00 33.68 C ATOM 1209 C GLY B 18 30.423 2.952 16.292 1.00 30.79 C ATOM 1210 O GLY B 18 31.343 3.034 17.105 1.00 32.55 O ATOM 1211 H GLY B 18 28.862 4.103 13.989 1.00 0.00 H ATOM 1212 N PHE B 19 30.186 1.850 15.585 1.00 32.60 N ATOM 1213 CA PHE B 19 30.981 0.643 15.807 1.00 27.93 C ATOM 1214 C PHE B 19 32.464 0.850 15.468 1.00 26.97 C ATOM 1215 O PHE B 19 33.330 0.401 16.209 1.00 30.07 O ATOM 1216 CB PHE B 19 30.409 -0.526 15.004 1.00 30.16 C ATOM 1217 CG PHE B 19 31.051 -1.849 15.312 1.00 32.34 C ATOM 1218 CD1 PHE B 19 31.108 -2.323 16.616 1.00 34.74 C ATOM 1219 CD2 PHE B 19 31.577 -2.629 14.298 1.00 25.26 C ATOM 1220 CE1 PHE B 19 31.694 -3.548 16.901 1.00 33.22 C ATOM 1221 CE2 PHE B 19 32.167 -3.852 14.575 1.00 31.16 C ATOM 1222 CZ PHE B 19 32.224 -4.314 15.877 1.00 28.35 C ATOM 1223 H PHE B 19 29.431 1.847 14.870 1.00 0.00 H ATOM 1224 N LEU B 20 32.761 1.523 14.360 1.00 25.86 N ATOM 1225 CA LEU B 20 34.159 1.767 14.003 1.00 27.53 C ATOM 1226 C LEU B 20 34.840 2.634 15.056 1.00 30.46 C ATOM 1227 O LEU B 20 35.953 2.341 15.479 1.00 26.00 O ATOM 1228 CB LEU B 20 34.275 2.427 12.627 1.00 29.24 C ATOM 1229 CG LEU B 20 34.005 1.507 11.438 1.00 30.24 C ATOM 1230 CD1 LEU B 20 34.277 2.228 10.139 1.00 32.09 C ATOM 1231 CD2 LEU B 20 34.869 0.282 11.540 1.00 33.07 C ATOM 1232 H LEU B 20 31.999 1.876 13.747 1.00 0.00 H ATOM 1233 N SER B 21 34.159 3.695 15.480 1.00 25.39 N ATOM 1234 CA SER B 21 34.679 4.548 16.544 1.00 32.24 C ATOM 1235 C SER B 21 34.898 3.772 17.837 1.00 24.17 C ATOM 1236 O SER B 21 35.915 3.948 18.509 1.00 28.69 O ATOM 1237 CB SER B 21 33.734 5.724 16.794 1.00 33.71 C ATOM 1238 OG SER B 21 33.734 6.596 15.681 1.00 46.55 O ATOM 1239 HG SER B 21 33.119 7.352 15.856 1.00 0.00 H ATOM 1240 H SER B 21 33.241 3.920 15.046 1.00 0.00 H ATOM 1241 N GLU B 22 33.950 2.906 18.187 1.00 26.27 N ATOM 1242 CA GLU B 22 34.097 2.109 19.402 1.00 30.25 C ATOM 1243 C GLU B 22 35.326 1.201 19.319 1.00 28.20 C ATOM 1244 O GLU B 22 36.088 1.104 20.273 1.00 28.14 O ATOM 1245 CB GLU B 22 32.838 1.272 19.681 1.00 27.95 C ATOM 1246 CG GLU B 22 32.911 0.561 21.021 1.00 29.53 C ATOM 1247 CD GLU B 22 31.630 -0.139 21.419 1.00 33.22 C ATOM 1248 OE1 GLU B 22 30.853 -0.536 20.527 1.00 33.19 O ATOM 1249 OE2 GLU B 22 31.402 -0.293 22.641 1.00 40.60 O ATOM 1250 H GLU B 22 33.103 2.797 17.594 1.00 0.00 H ATOM 1251 N LEU B 23 35.531 0.550 18.174 1.00 29.26 N ATOM 1252 CA LEU B 23 36.714 -0.297 18.000 1.00 28.96 C ATOM 1253 C LEU B 23 38.002 0.510 18.129 1.00 25.15 C ATOM 1254 O LEU B 23 38.971 0.059 18.739 1.00 28.80 O ATOM 1255 CB LEU B 23 36.689 -1.010 16.641 1.00 24.53 C ATOM 1256 CG LEU B 23 35.667 -2.147 16.492 1.00 26.22 C ATOM 1257 CD1 LEU B 23 35.506 -2.507 15.023 1.00 27.91 C ATOM 1258 CD2 LEU B 23 36.070 -3.362 17.313 1.00 29.15 C ATOM 1259 H LEU B 23 34.845 0.644 17.398 1.00 0.00 H ATOM 1260 N THR B 24 38.010 1.704 17.544 1.00 28.34 N ATOM 1261 CA THR B 24 39.188 2.566 17.579 1.00 26.89 C ATOM 1262 C THR B 24 39.552 2.911 19.022 1.00 23.01 C ATOM 1263 O THR B 24 40.697 2.771 19.439 1.00 24.14 O ATOM 1264 CB THR B 24 38.957 3.857 16.764 1.00 31.39 C ATOM 1265 OG1 THR B 24 38.762 3.520 15.383 1.00 27.16 O ATOM 1266 CG2 THR B 24 40.157 4.794 16.876 1.00 29.83 C ATOM 1267 HG1 THR B 24 37.973 2.928 15.297 1.00 0.00 H ATOM 1268 H THR B 24 37.156 2.032 17.049 1.00 0.00 H ATOM 1269 N GLN B 25 38.554 3.321 19.789 1.00 30.57 N ATOM 1270 CA GLN B 25 38.790 3.745 21.165 1.00 32.47 C ATOM 1271 C GLN B 25 39.176 2.568 22.068 1.00 31.96 C ATOM 1272 O GLN B 25 40.077 2.691 22.901 1.00 30.66 O ATOM 1273 CB GLN B 25 37.554 4.456 21.703 1.00 31.28 C ATOM 1274 CG GLN B 25 37.154 5.686 20.893 1.00 44.50 C ATOM 1275 CD GLN B 25 38.158 6.826 21.021 1.00 54.64 C ATOM 1276 OE1 GLN B 25 38.155 7.558 22.012 1.00 66.03 O ATOM 1277 NE2 GLN B 25 39.020 6.980 20.018 1.00 45.83 N ATOM 1278 HE22 GLN B 25 38.986 6.338 19.200 1.00 0.00 H ATOM 1279 HE21 GLN B 25 39.727 7.742 20.052 1.00 0.00 H ATOM 1280 H GLN B 25 37.588 3.341 19.405 1.00 0.00 H ATOM 1281 N GLN B 26 38.512 1.426 21.892 1.00 27.60 N ATOM 1282 CA GLN B 26 38.821 0.236 22.689 1.00 28.71 C ATOM 1283 C GLN B 26 40.222 -0.300 22.398 1.00 28.94 C ATOM 1284 O GLN B 26 40.921 -0.762 23.299 1.00 27.83 O ATOM 1285 CB GLN B 26 37.779 -0.863 22.447 1.00 28.96 C ATOM 1286 CG GLN B 26 36.392 -0.543 23.000 1.00 32.42 C ATOM 1287 CD GLN B 26 36.380 -0.458 24.517 1.00 38.62 C ATOM 1288 OE1 GLN B 26 37.089 -1.200 25.198 1.00 40.73 O ATOM 1289 NE2 GLN B 26 35.580 0.455 25.051 1.00 46.53 N ATOM 1290 HE22 GLN B 26 34.999 1.060 24.437 1.00 0.00 H ATOM 1291 HE21 GLN B 26 35.534 0.566 26.084 1.00 0.00 H ATOM 1292 H GLN B 26 37.760 1.379 21.175 1.00 0.00 H ATOM 1293 N LEU B 27 40.652 -0.227 21.142 1.00 28.82 N ATOM 1294 CA LEU B 27 41.994 -0.677 20.806 1.00 21.61 C ATOM 1295 C LEU B 27 43.075 0.280 21.313 1.00 28.87 C ATOM 1296 O LEU B 27 44.163 -0.149 21.706 1.00 32.54 O ATOM 1297 CB LEU B 27 42.119 -0.861 19.290 1.00 29.65 C ATOM 1298 CG LEU B 27 41.391 -2.090 18.738 1.00 30.98 C ATOM 1299 CD1 LEU B 27 41.300 -2.042 17.207 1.00 32.10 C ATOM 1300 CD2 LEU B 27 42.090 -3.366 19.203 1.00 29.00 C ATOM 1301 H LEU B 27 40.029 0.152 20.400 1.00 0.00 H ATOM 1302 N ALA B 28 42.781 1.574 21.286 1.00 29.47 N ATOM 1303 CA ALA B 28 43.696 2.559 21.848 1.00 31.62 C ATOM 1304 C ALA B 28 43.915 2.268 23.334 1.00 31.76 C ATOM 1305 O ALA B 28 45.044 2.284 23.823 1.00 33.24 O ATOM 1306 CB ALA B 28 43.154 3.968 21.640 1.00 27.15 C ATOM 1307 H ALA B 28 41.887 1.889 20.859 1.00 0.00 H ATOM 1308 N GLN B 29 42.832 1.969 24.042 1.00 34.26 N ATOM 1309 CA GLN B 29 42.935 1.655 25.465 1.00 36.91 C ATOM 1310 C GLN B 29 43.670 0.337 25.693 1.00 38.13 C ATOM 1311 O GLN B 29 44.549 0.245 26.550 1.00 38.23 O ATOM 1312 CB GLN B 29 41.548 1.604 26.103 1.00 38.60 C ATOM 1313 CG GLN B 29 41.576 1.390 27.607 1.00 50.07 C ATOM 1314 CD GLN B 29 40.248 1.700 28.267 1.00 52.42 C ATOM 1315 OE1 GLN B 29 39.339 2.243 27.637 1.00 49.64 O ATOM 1316 NE2 GLN B 29 40.128 1.358 29.545 1.00 51.03 N ATOM 1317 HE22 GLN B 29 40.922 0.901 30.038 1.00 0.00 H ATOM 1318 HE21 GLN B 29 39.240 1.547 30.053 1.00 0.00 H ATOM 1319 H GLN B 29 41.901 1.958 23.579 1.00 0.00 H ATOM 1320 N ALA B 30 43.321 -0.680 24.910 1.00 32.83 N ATOM 1321 CA ALA B 30 43.891 -2.010 25.098 1.00 35.77 C ATOM 1322 C ALA B 30 45.380 -2.085 24.768 1.00 36.42 C ATOM 1323 O ALA B 30 46.100 -2.914 25.329 1.00 37.83 O ATOM 1324 CB ALA B 30 43.120 -3.030 24.264 1.00 33.58 C ATOM 1325 H ALA B 30 42.629 -0.524 24.150 1.00 0.00 H ATOM 1326 N THR B 31 45.846 -1.231 23.859 1.00 33.75 N ATOM 1327 CA THR B 31 47.240 -1.284 23.414 1.00 37.74 C ATOM 1328 C THR B 31 48.076 -0.108 23.907 1.00 36.07 C ATOM 1329 O THR B 31 49.303 -0.138 23.828 1.00 39.33 O ATOM 1330 CB THR B 31 47.351 -1.311 21.875 1.00 33.43 C ATOM 1331 OG1 THR B 31 46.760 -0.116 21.341 1.00 33.54 O ATOM 1332 CG2 THR B 31 46.660 -2.544 21.307 1.00 34.98 C ATOM 1333 HG1 THR B 31 45.807 -0.073 21.606 1.00 0.00 H ATOM 1334 H THR B 31 45.209 -0.514 23.458 1.00 0.00 H ATOM 1335 N GLY B 32 47.416 0.934 24.394 1.00 38.25 N ATOM 1336 CA GLY B 32 48.122 2.121 24.839 1.00 43.08 C ATOM 1337 C GLY B 32 48.671 2.938 23.681 1.00 45.93 C ATOM 1338 O GLY B 32 49.577 3.757 23.853 1.00 44.64 O ATOM 1339 H GLY B 32 46.379 0.900 24.458 1.00 0.00 H ATOM 1340 N LYS B 33 48.123 2.710 22.493 1.00 38.63 N ATOM 1341 CA LYS B 33 48.529 3.449 21.304 1.00 37.68 C ATOM 1342 C LYS B 33 47.595 4.624 21.069 1.00 36.33 C ATOM 1343 O LYS B 33 46.416 4.563 21.414 1.00 38.18 O ATOM 1344 CB LYS B 33 48.545 2.532 20.079 1.00 37.24 C ATOM 1345 CG LYS B 33 49.593 1.444 20.139 1.00 35.83 C ATOM 1346 CD LYS B 33 50.992 2.023 20.103 1.00 36.99 C ATOM 1347 CE LYS B 33 52.041 0.924 20.130 1.00 33.89 C ATOM 1348 NZ LYS B 33 53.421 1.481 20.047 1.00 39.76 N ATOM 1349 HZ1 LYS B 33 53.526 2.014 19.160 1.00 0.00 H ATOM 1350 HZ2 LYS B 33 53.587 2.114 20.855 1.00 0.00 H ATOM 1351 HZ3 LYS B 33 54.110 0.702 20.068 1.00 0.00 H ATOM 1352 H LYS B 33 47.383 1.984 22.409 1.00 0.00 H ATOM 1353 N PRO B 34 48.123 5.712 20.492 1.00 39.16 N ATOM 1354 CA PRO B 34 47.283 6.862 20.147 1.00 40.65 C ATOM 1355 C PRO B 34 46.246 6.482 19.092 1.00 34.09 C ATOM 1356 O PRO B 34 46.611 5.846 18.097 1.00 36.31 O ATOM 1357 CB PRO B 34 48.286 7.882 19.593 1.00 40.04 C ATOM 1358 CG PRO B 34 49.613 7.441 20.096 1.00 38.45 C ATOM 1359 CD PRO B 34 49.545 5.954 20.195 1.00 40.92 C ATOM 1360 N PRO B 35 44.975 6.864 19.300 1.00 34.29 N ATOM 1361 CA PRO B 35 43.918 6.536 18.334 1.00 30.29 C ATOM 1362 C PRO B 35 44.199 7.096 16.940 1.00 36.19 C ATOM 1363 O PRO B 35 43.645 6.593 15.957 1.00 30.13 O ATOM 1364 CB PRO B 35 42.659 7.181 18.942 1.00 36.24 C ATOM 1365 CG PRO B 35 43.154 8.151 19.948 1.00 35.05 C ATOM 1366 CD PRO B 35 44.455 7.607 20.459 1.00 31.12 C ATOM 1367 N GLN B 36 45.063 8.108 16.865 1.00 34.41 N ATOM 1368 CA GLN B 36 45.378 8.787 15.609 1.00 36.60 C ATOM 1369 C GLN B 36 46.012 7.867 14.565 1.00 29.88 C ATOM 1370 O GLN B 36 45.988 8.158 13.377 1.00 30.22 O ATOM 1371 CB GLN B 36 46.319 9.972 15.868 1.00 29.15 C ATOM 1372 CG GLN B 36 45.679 11.134 16.615 1.00 46.65 C ATOM 1373 CD GLN B 36 45.490 10.858 18.099 1.00 47.36 C ATOM 1374 OE1 GLN B 36 46.215 10.059 18.692 1.00 43.62 O ATOM 1375 NE2 GLN B 36 44.505 11.518 18.704 1.00 51.03 N ATOM 1376 HE22 GLN B 36 43.917 12.184 18.164 1.00 0.00 H ATOM 1377 HE21 GLN B 36 44.324 11.368 19.717 1.00 0.00 H ATOM 1378 H GLN B 36 45.533 8.428 17.736 1.00 0.00 H ATOM 1379 N TYR B 37 46.600 6.766 15.013 1.00 26.81 N ATOM 1380 CA TYR B 37 47.287 5.866 14.100 1.00 29.35 C ATOM 1381 C TYR B 37 46.514 4.575 13.896 1.00 29.95 C ATOM 1382 O TYR B 37 46.887 3.758 13.068 1.00 26.49 O ATOM 1383 CB TYR B 37 48.687 5.540 14.612 1.00 36.31 C ATOM 1384 CG TYR B 37 49.654 6.700 14.540 1.00 44.30 C ATOM 1385 CD1 TYR B 37 50.424 6.915 13.402 1.00 51.92 C ATOM 1386 CD2 TYR B 37 49.800 7.576 15.607 1.00 48.39 C ATOM 1387 CE1 TYR B 37 51.314 7.969 13.331 1.00 61.72 C ATOM 1388 CE2 TYR B 37 50.685 8.633 15.548 1.00 51.35 C ATOM 1389 CZ TYR B 37 51.440 8.826 14.407 1.00 63.20 C ATOM 1390 OH TYR B 37 52.324 9.879 14.340 1.00 76.32 O ATOM 1391 HH TYR B 37 52.779 9.871 13.461 1.00 0.00 H ATOM 1392 H TYR B 37 46.570 6.544 16.028 1.00 0.00 H ATOM 1393 N ILE B 38 45.438 4.394 14.651 1.00 23.95 N ATOM 1394 CA ILE B 38 44.714 3.123 14.612 1.00 24.76 C ATOM 1395 C ILE B 38 43.770 3.067 13.412 1.00 23.25 C ATOM 1396 O ILE B 38 43.064 4.031 13.111 1.00 23.66 O ATOM 1397 CB ILE B 38 43.947 2.891 15.926 1.00 27.53 C ATOM 1398 CG1 ILE B 38 44.952 2.713 17.064 1.00 29.03 C ATOM 1399 CG2 ILE B 38 43.026 1.674 15.825 1.00 24.34 C ATOM 1400 CD1 ILE B 38 44.327 2.365 18.388 1.00 33.23 C ATOM 1401 H ILE B 38 45.108 5.159 15.273 1.00 0.00 H ATOM 1402 N ALA B 39 43.794 1.938 12.706 1.00 20.54 N ATOM 1403 CA ALA B 39 42.954 1.744 11.534 1.00 23.49 C ATOM 1404 C ALA B 39 41.989 0.606 11.788 1.00 21.64 C ATOM 1405 O ALA B 39 42.387 -0.431 12.324 1.00 21.58 O ATOM 1406 CB ALA B 39 43.806 1.449 10.289 1.00 20.33 C ATOM 1407 H ALA B 39 44.432 1.172 13.001 1.00 0.00 H ATOM 1408 N VAL B 40 40.731 0.794 11.401 1.00 20.06 N ATOM 1409 CA VAL B 40 39.728 -0.245 11.573 1.00 18.80 C ATOM 1410 C VAL B 40 38.916 -0.442 10.301 1.00 23.13 C ATOM 1411 O VAL B 40 38.644 0.497 9.550 1.00 21.29 O ATOM 1412 CB VAL B 40 38.779 0.066 12.744 1.00 23.12 C ATOM 1413 CG1 VAL B 40 39.531 0.015 14.072 1.00 23.15 C ATOM 1414 CG2 VAL B 40 38.147 1.422 12.552 1.00 28.38 C ATOM 1415 H VAL B 40 40.460 1.700 10.968 1.00 0.00 H ATOM 1416 N HIS B 41 38.522 -1.684 10.068 1.00 20.56 N ATOM 1417 CA HIS B 41 37.931 -2.079 8.805 1.00 22.14 C ATOM 1418 C HIS B 41 36.899 -3.169 9.059 1.00 20.07 C ATOM 1419 O HIS B 41 37.245 -4.224 9.577 1.00 20.52 O ATOM 1420 CB HIS B 41 39.036 -2.577 7.875 1.00 21.37 C ATOM 1421 CG HIS B 41 38.576 -2.958 6.504 1.00 18.01 C ATOM 1422 ND1 HIS B 41 39.402 -3.607 5.610 1.00 18.79 N ATOM 1423 CD2 HIS B 41 37.398 -2.778 5.861 1.00 19.67 C ATOM 1424 CE1 HIS B 41 38.750 -3.815 4.481 1.00 17.80 C ATOM 1425 NE2 HIS B 41 37.534 -3.316 4.605 1.00 19.53 N ATOM 1426 H HIS B 41 38.640 -2.399 10.814 1.00 0.00 H ATOM 1427 N VAL B 42 35.643 -2.903 8.715 1.00 19.38 N ATOM 1428 CA VAL B 42 34.560 -3.867 8.942 1.00 22.03 C ATOM 1429 C VAL B 42 33.918 -4.234 7.598 1.00 21.38 C ATOM 1430 O VAL B 42 33.577 -3.359 6.796 1.00 21.56 O ATOM 1431 CB VAL B 42 33.492 -3.313 9.923 1.00 24.37 C ATOM 1432 CG1 VAL B 42 32.269 -4.237 9.966 1.00 23.30 C ATOM 1433 CG2 VAL B 42 34.083 -3.136 11.330 1.00 24.55 C ATOM 1434 H VAL B 42 35.422 -1.988 8.273 1.00 0.00 H ATOM 1435 N VAL B 43 33.764 -5.534 7.351 1.00 19.16 N ATOM 1436 CA VAL B 43 33.251 -6.029 6.074 1.00 16.80 C ATOM 1437 C VAL B 43 32.067 -6.959 6.319 1.00 21.75 C ATOM 1438 O VAL B 43 32.261 -8.124 6.640 1.00 21.74 O ATOM 1439 CB VAL B 43 34.330 -6.804 5.279 1.00 19.82 C ATOM 1440 CG1 VAL B 43 33.863 -7.056 3.833 1.00 20.04 C ATOM 1441 CG2 VAL B 43 35.669 -6.065 5.293 1.00 19.85 C ATOM 1442 H VAL B 43 34.017 -6.220 8.091 1.00 0.00 H ATOM 1443 N PRO B 44 30.836 -6.439 6.195 1.00 16.73 N ATOM 1444 CA PRO B 44 29.649 -7.262 6.427 1.00 19.43 C ATOM 1445 C PRO B 44 29.162 -7.958 5.160 1.00 23.02 C ATOM 1446 O PRO B 44 29.790 -7.851 4.095 1.00 21.77 O ATOM 1447 CB PRO B 44 28.616 -6.244 6.915 1.00 22.66 C ATOM 1448 CG PRO B 44 28.971 -4.998 6.163 1.00 26.41 C ATOM 1449 CD PRO B 44 30.486 -5.027 5.947 1.00 19.50 C ATOM 1450 N ASP B 45 28.047 -8.674 5.299 1.00 20.52 N ATOM 1451 CA ASP B 45 27.370 -9.337 4.186 1.00 23.06 C ATOM 1452 C ASP B 45 28.254 -10.340 3.440 1.00 19.57 C ATOM 1453 O ASP B 45 28.071 -10.556 2.251 1.00 22.76 O ATOM 1454 CB ASP B 45 26.832 -8.295 3.193 1.00 24.19 C ATOM 1455 CG ASP B 45 25.762 -7.414 3.797 1.00 28.74 C ATOM 1456 OD1 ASP B 45 24.673 -7.934 4.118 1.00 30.00 O ATOM 1457 OD2 ASP B 45 26.008 -6.202 3.946 1.00 31.37 O ATOM 1458 H ASP B 45 27.636 -8.766 6.250 1.00 0.00 H ATOM 1459 N GLN B 46 29.203 -10.966 4.128 1.00 17.95 N ATOM 1460 CA GLN B 46 30.140 -11.844 3.442 1.00 17.99 C ATOM 1461 C GLN B 46 29.585 -13.253 3.314 1.00 22.74 C ATOM 1462 O GLN B 46 28.771 -13.686 4.121 1.00 20.97 O ATOM 1463 CB GLN B 46 31.483 -11.864 4.165 1.00 18.95 C ATOM 1464 CG GLN B 46 32.203 -10.521 4.070 1.00 18.58 C ATOM 1465 CD GLN B 46 32.384 -10.107 2.631 1.00 19.37 C ATOM 1466 OE1 GLN B 46 33.195 -10.685 1.908 1.00 21.02 O ATOM 1467 NE2 GLN B 46 31.610 -9.130 2.195 1.00 19.40 N ATOM 1468 HE22 GLN B 46 30.939 -8.670 2.843 1.00 0.00 H ATOM 1469 HE21 GLN B 46 31.672 -8.820 1.204 1.00 0.00 H ATOM 1470 H GLN B 46 29.276 -10.829 5.156 1.00 0.00 H ATOM 1471 N LEU B 47 30.019 -13.942 2.266 1.00 20.74 N ATOM 1472 CA LEU B 47 29.656 -15.326 2.020 1.00 18.95 C ATOM 1473 C LEU B 47 30.663 -16.212 2.757 1.00 21.18 C ATOM 1474 O LEU B 47 31.771 -16.442 2.274 1.00 23.53 O ATOM 1475 CB LEU B 47 29.638 -15.607 0.508 1.00 20.61 C ATOM 1476 CG LEU B 47 29.412 -17.040 0.036 1.00 26.72 C ATOM 1477 CD1 LEU B 47 28.106 -17.625 0.602 1.00 32.14 C ATOM 1478 CD2 LEU B 47 29.413 -17.066 -1.491 1.00 29.82 C ATOM 1479 H LEU B 47 30.649 -13.468 1.588 1.00 0.00 H ATOM 1480 N MET B 48 30.284 -16.665 3.952 1.00 17.95 N ATOM 1481 CA MET B 48 31.179 -17.414 4.828 1.00 17.84 C ATOM 1482 C MET B 48 30.478 -18.614 5.443 1.00 22.45 C ATOM 1483 O MET B 48 29.253 -18.631 5.580 1.00 23.69 O ATOM 1484 CB MET B 48 31.700 -16.542 5.981 1.00 24.99 C ATOM 1485 CG MET B 48 32.015 -15.101 5.636 1.00 29.28 C ATOM 1486 SD MET B 48 32.475 -14.164 7.111 1.00 29.79 S ATOM 1487 CE MET B 48 34.075 -14.801 7.455 1.00 27.16 C ATOM 1488 H MET B 48 29.313 -16.477 4.273 1.00 0.00 H ATOM 1489 N ALA B 49 31.267 -19.594 5.846 1.00 19.98 N ATOM 1490 CA ALA B 49 30.778 -20.667 6.705 1.00 20.46 C ATOM 1491 C ALA B 49 31.801 -20.914 7.797 1.00 21.08 C ATOM 1492 O ALA B 49 33.006 -20.736 7.592 1.00 20.91 O ATOM 1493 CB ALA B 49 30.517 -21.935 5.917 1.00 23.31 C ATOM 1494 H ALA B 49 32.262 -19.601 5.543 1.00 0.00 H ATOM 1495 N PHE B 50 31.310 -21.321 8.960 1.00 16.47 N ATOM 1496 CA PHE B 50 32.152 -21.649 10.097 1.00 18.49 C ATOM 1497 C PHE B 50 31.652 -23.005 10.580 1.00 21.56 C ATOM 1498 O PHE B 50 30.494 -23.136 10.990 1.00 22.05 O ATOM 1499 CB PHE B 50 32.042 -20.568 11.179 1.00 23.08 C ATOM 1500 CG PHE B 50 33.167 -20.566 12.192 1.00 21.28 C ATOM 1501 CD1 PHE B 50 33.269 -21.572 13.144 1.00 20.99 C ATOM 1502 CD2 PHE B 50 34.080 -19.523 12.231 1.00 27.91 C ATOM 1503 CE1 PHE B 50 34.288 -21.553 14.089 1.00 26.69 C ATOM 1504 CE2 PHE B 50 35.091 -19.496 13.167 1.00 23.68 C ATOM 1505 CZ PHE B 50 35.198 -20.502 14.096 1.00 25.03 C ATOM 1506 H PHE B 50 30.279 -21.409 9.062 1.00 0.00 H ATOM 1507 N GLY B 51 32.502 -24.018 10.463 1.00 19.62 N ATOM 1508 CA GLY B 51 32.117 -25.374 10.809 1.00 24.53 C ATOM 1509 C GLY B 51 31.004 -25.880 9.920 1.00 29.04 C ATOM 1510 O GLY B 51 30.178 -26.691 10.351 1.00 33.65 O ATOM 1511 H GLY B 51 33.465 -23.836 10.116 1.00 0.00 H ATOM 1512 N GLY B 52 30.966 -25.389 8.685 1.00 22.69 N ATOM 1513 CA GLY B 52 29.971 -25.818 7.721 1.00 28.21 C ATOM 1514 C GLY B 52 28.627 -25.133 7.889 1.00 30.37 C ATOM 1515 O GLY B 52 27.673 -25.441 7.170 1.00 34.36 O ATOM 1516 H GLY B 52 31.670 -24.677 8.402 1.00 0.00 H ATOM 1517 N SER B 53 28.547 -24.205 8.838 1.00 25.45 N ATOM 1518 CA SER B 53 27.304 -23.504 9.127 1.00 24.25 C ATOM 1519 C SER B 53 27.361 -22.021 8.758 1.00 25.82 C ATOM 1520 O SER B 53 28.393 -21.363 8.934 1.00 26.54 O ATOM 1521 CB SER B 53 26.965 -23.646 10.606 1.00 23.96 C ATOM 1522 OG SER B 53 25.955 -22.719 10.956 1.00 29.43 O ATOM 1523 HG SER B 53 25.145 -22.895 10.415 1.00 0.00 H ATOM 1524 H SER B 53 29.397 -23.973 9.390 1.00 0.00 H ATOM 1525 N SER B 54 26.241 -21.498 8.265 1.00 27.60 N ATOM 1526 CA SER B 54 26.157 -20.098 7.870 1.00 30.29 C ATOM 1527 C SER B 54 25.523 -19.230 8.963 1.00 25.28 C ATOM 1528 O SER B 54 25.121 -18.099 8.702 1.00 26.20 O ATOM 1529 CB SER B 54 25.379 -19.956 6.554 1.00 33.24 C ATOM 1530 OG SER B 54 24.060 -20.459 6.672 1.00 41.47 O ATOM 1531 HG SER B 54 24.094 -21.418 6.914 1.00 0.00 H ATOM 1532 H SER B 54 25.403 -22.105 8.159 1.00 0.00 H ATOM 1533 N GLU B 55 25.465 -19.744 10.190 1.00 26.10 N ATOM 1534 CA GLU B 55 25.095 -18.916 11.335 1.00 25.45 C ATOM 1535 C GLU B 55 26.111 -17.776 11.451 1.00 28.13 C ATOM 1536 O GLU B 55 27.184 -17.857 10.845 1.00 24.02 O ATOM 1537 CB GLU B 55 25.044 -19.747 12.620 1.00 28.10 C ATOM 1538 CG GLU B 55 23.938 -20.804 12.614 1.00 24.14 C ATOM 1539 CD GLU B 55 22.606 -20.231 12.166 1.00 33.07 C ATOM 1540 OE1 GLU B 55 22.097 -19.319 12.847 1.00 35.84 O ATOM 1541 OE2 GLU B 55 22.074 -20.680 11.127 1.00 38.12 O ATOM 1542 H GLU B 55 25.686 -20.750 10.335 1.00 0.00 H ATOM 1543 N PRO B 56 25.774 -16.705 12.197 1.00 25.93 N ATOM 1544 CA PRO B 56 26.715 -15.579 12.305 1.00 24.89 C ATOM 1545 C PRO B 56 28.108 -15.989 12.758 1.00 28.40 C ATOM 1546 O PRO B 56 28.278 -16.757 13.715 1.00 22.28 O ATOM 1547 CB PRO B 56 26.052 -14.674 13.344 1.00 22.58 C ATOM 1548 CG PRO B 56 24.594 -14.904 13.121 1.00 29.83 C ATOM 1549 CD PRO B 56 24.490 -16.390 12.849 1.00 25.72 C ATOM 1550 N CYS B 57 29.108 -15.473 12.054 1.00 25.31 N ATOM 1551 CA CYS B 57 30.492 -15.757 12.381 1.00 23.69 C ATOM 1552 C CYS B 57 31.357 -14.559 11.974 1.00 17.22 C ATOM 1553 O CYS B 57 30.873 -13.621 11.345 1.00 19.63 O ATOM 1554 CB CYS B 57 30.956 -17.045 11.690 1.00 18.40 C ATOM 1555 SG CYS B 57 30.959 -16.985 9.871 1.00 23.27 S ATOM 1556 H CYS B 57 28.894 -14.850 11.249 1.00 0.00 H ATOM 1557 N ALA B 58 32.623 -14.578 12.359 1.00 22.08 N ATOM 1558 CA ALA B 58 33.539 -13.521 11.944 1.00 20.13 C ATOM 1559 C ALA B 58 34.960 -14.046 11.844 1.00 17.84 C ATOM 1560 O ALA B 58 35.376 -14.868 12.651 1.00 21.66 O ATOM 1561 CB ALA B 58 33.483 -12.346 12.915 1.00 19.32 C ATOM 1562 H ALA B 58 32.968 -15.352 12.962 1.00 0.00 H ATOM 1563 N LEU B 59 35.685 -13.561 10.835 1.00 19.37 N ATOM 1564 CA LEU B 59 37.113 -13.807 10.689 1.00 17.83 C ATOM 1565 C LEU B 59 37.824 -12.470 10.783 1.00 20.80 C ATOM 1566 O LEU B 59 37.499 -11.548 10.031 1.00 19.70 O ATOM 1567 CB LEU B 59 37.430 -14.486 9.354 1.00 19.01 C ATOM 1568 CG LEU B 59 36.810 -15.872 9.166 1.00 20.41 C ATOM 1569 CD1 LEU B 59 37.168 -16.387 7.785 1.00 21.56 C ATOM 1570 CD2 LEU B 59 37.285 -16.823 10.249 1.00 19.55 C ATOM 1571 H LEU B 59 35.207 -12.979 10.118 1.00 0.00 H ATOM 1572 N CYS B 60 38.782 -12.363 11.705 1.00 17.29 N ATOM 1573 CA CYS B 60 39.396 -11.072 12.001 1.00 19.21 C ATOM 1574 C CYS B 60 40.907 -11.124 11.949 1.00 19.17 C ATOM 1575 O CYS B 60 41.498 -12.196 11.971 1.00 18.70 O ATOM 1576 CB CYS B 60 38.980 -10.576 13.392 1.00 22.78 C ATOM 1577 SG CYS B 60 37.216 -10.659 13.723 1.00 21.85 S ATOM 1578 H CYS B 60 39.096 -13.210 12.220 1.00 0.00 H ATOM 1579 N SER B 61 41.532 -9.951 11.894 1.00 16.48 N ATOM 1580 CA SER B 61 42.975 -9.877 12.063 1.00 19.05 C ATOM 1581 C SER B 61 43.355 -8.624 12.829 1.00 18.83 C ATOM 1582 O SER B 61 42.725 -7.583 12.684 1.00 20.36 O ATOM 1583 CB SER B 61 43.703 -9.902 10.708 1.00 18.03 C ATOM 1584 OG SER B 61 43.421 -8.738 9.939 1.00 23.05 O ATOM 1585 HG SER B 61 43.716 -7.935 10.438 1.00 0.00 H ATOM 1586 H SER B 61 40.986 -9.082 11.729 1.00 0.00 H ATOM 1587 N LEU B 62 44.385 -8.751 13.653 1.00 18.32 N ATOM 1588 CA LEU B 62 45.002 -7.607 14.318 1.00 22.48 C ATOM 1589 C LEU B 62 46.485 -7.587 13.990 1.00 21.30 C ATOM 1590 O LEU B 62 47.214 -8.507 14.355 1.00 22.00 O ATOM 1591 CB LEU B 62 44.796 -7.673 15.835 1.00 20.81 C ATOM 1592 CG LEU B 62 45.274 -6.449 16.632 1.00 23.32 C ATOM 1593 CD1 LEU B 62 44.402 -5.220 16.359 1.00 23.22 C ATOM 1594 CD2 LEU B 62 45.303 -6.763 18.118 1.00 27.31 C ATOM 1595 H LEU B 62 44.768 -9.701 13.833 1.00 0.00 H ATOM 1596 N HIS B 63 46.920 -6.548 13.276 1.00 18.81 N ATOM 1597 CA HIS B 63 48.331 -6.343 12.980 1.00 23.49 C ATOM 1598 C HIS B 63 48.854 -5.250 13.906 1.00 21.99 C ATOM 1599 O HIS B 63 48.204 -4.227 14.089 1.00 21.47 O ATOM 1600 CB HIS B 63 48.562 -5.928 11.525 1.00 21.79 C ATOM 1601 CG HIS B 63 48.206 -6.967 10.499 1.00 24.17 C ATOM 1602 ND1 HIS B 63 46.908 -7.211 10.103 1.00 23.93 N ATOM 1603 CD2 HIS B 63 48.988 -7.773 9.749 1.00 21.69 C ATOM 1604 CE1 HIS B 63 46.904 -8.150 9.172 1.00 22.12 C ATOM 1605 NE2 HIS B 63 48.153 -8.511 8.937 1.00 22.51 N ATOM 1606 H HIS B 63 46.227 -5.860 12.918 1.00 0.00 H ATOM 1607 N SER B 64 50.031 -5.460 14.473 1.00 22.28 N ATOM 1608 CA SER B 64 50.606 -4.480 15.391 1.00 22.68 C ATOM 1609 C SER B 64 52.114 -4.578 15.305 1.00 22.19 C ATOM 1610 O SER B 64 52.651 -5.645 15.022 1.00 22.67 O ATOM 1611 CB SER B 64 50.111 -4.728 16.824 1.00 27.07 C ATOM 1612 OG SER B 64 50.622 -3.763 17.735 1.00 28.98 O ATOM 1613 HG SER B 64 51.611 -3.803 17.736 1.00 0.00 H ATOM 1614 H SER B 64 50.554 -6.334 14.262 1.00 0.00 H ATOM 1615 N ILE B 65 52.797 -3.455 15.494 1.00 23.89 N ATOM 1616 CA ILE B 65 54.244 -3.475 15.637 1.00 26.75 C ATOM 1617 C ILE B 65 54.513 -3.591 17.135 1.00 26.86 C ATOM 1618 O ILE B 65 54.384 -2.616 17.869 1.00 28.42 O ATOM 1619 CB ILE B 65 54.898 -2.213 15.043 1.00 22.86 C ATOM 1620 CG1 ILE B 65 54.674 -2.169 13.520 1.00 20.48 C ATOM 1621 CG2 ILE B 65 56.400 -2.159 15.389 1.00 22.76 C ATOM 1622 CD1 ILE B 65 54.938 -0.785 12.907 1.00 20.57 C ATOM 1623 H ILE B 65 52.290 -2.548 15.540 1.00 0.00 H ATOM 1624 N GLY B 66 54.839 -4.796 17.588 1.00 27.33 N ATOM 1625 CA GLY B 66 54.910 -5.070 19.011 1.00 28.26 C ATOM 1626 C GLY B 66 53.527 -5.186 19.638 1.00 30.18 C ATOM 1627 O GLY B 66 52.509 -5.156 18.932 1.00 29.27 O ATOM 1628 H GLY B 66 55.047 -5.557 16.910 1.00 0.00 H ATOM 1629 N LYS B 67 53.502 -5.330 20.965 1.00 27.95 N ATOM 1630 CA LYS B 67 52.273 -5.444 21.748 1.00 28.92 C ATOM 1631 C LYS B 67 51.489 -6.710 21.398 1.00 27.82 C ATOM 1632 O LYS B 67 50.288 -6.780 21.631 1.00 29.08 O ATOM 1633 CB LYS B 67 51.384 -4.212 21.561 1.00 29.82 C ATOM 1634 CG LYS B 67 52.035 -2.899 21.997 1.00 43.05 C ATOM 1635 CD LYS B 67 52.428 -2.950 23.468 1.00 42.41 C ATOM 1636 CE LYS B 67 53.082 -1.653 23.912 1.00 57.43 C ATOM 1637 NZ LYS B 67 53.496 -1.723 25.341 1.00 70.30 N ATOM 1638 HZ1 LYS B 67 52.660 -1.895 25.935 1.00 0.00 H ATOM 1639 HZ2 LYS B 67 54.177 -2.499 25.466 1.00 0.00 H ATOM 1640 HZ3 LYS B 67 53.940 -0.824 25.617 1.00 0.00 H ATOM 1641 H LYS B 67 54.410 -5.363 21.471 1.00 0.00 H ATOM 1642 N ILE B 68 52.193 -7.697 20.854 1.00 27.62 N ATOM 1643 CA ILE B 68 51.626 -9.004 20.529 1.00 28.95 C ATOM 1644 C ILE B 68 52.349 -10.088 21.327 1.00 32.50 C ATOM 1645 O ILE B 68 53.579 -10.121 21.361 1.00 28.91 O ATOM 1646 CB ILE B 68 51.741 -9.318 19.015 1.00 24.05 C ATOM 1647 CG1 ILE B 68 51.032 -8.250 18.176 1.00 27.40 C ATOM 1648 CG2 ILE B 68 51.177 -10.707 18.705 1.00 30.27 C ATOM 1649 CD1 ILE B 68 49.511 -8.281 18.276 1.00 29.16 C ATOM 1650 H ILE B 68 53.199 -7.531 20.649 1.00 0.00 H ATOM 1651 N GLY B 69 51.589 -10.969 21.972 1.00 28.48 N ATOM 1652 CA GLY B 69 52.169 -12.035 22.776 1.00 31.02 C ATOM 1653 C GLY B 69 51.104 -12.904 23.423 1.00 29.62 C ATOM 1654 O GLY B 69 49.925 -12.593 23.335 1.00 33.02 O ATOM 1655 H GLY B 69 50.554 -10.894 21.900 1.00 0.00 H ATOM 1656 N GLY B 70 51.517 -13.995 24.064 1.00 33.32 N ATOM 1657 CA GLY B 70 50.583 -14.936 24.668 1.00 32.16 C ATOM 1658 C GLY B 70 49.489 -14.302 25.513 1.00 29.09 C ATOM 1659 O GLY B 70 48.296 -14.399 25.201 1.00 29.94 O ATOM 1660 H GLY B 70 52.538 -14.181 24.136 1.00 0.00 H ATOM 1661 N ALA B 71 49.889 -13.622 26.577 1.00 33.85 N ATOM 1662 CA ALA B 71 48.929 -13.034 27.503 1.00 29.02 C ATOM 1663 C ALA B 71 48.175 -11.850 26.892 1.00 26.28 C ATOM 1664 O ALA B 71 46.962 -11.700 27.095 1.00 28.21 O ATOM 1665 CB ALA B 71 49.635 -12.609 28.787 1.00 36.66 C ATOM 1666 H ALA B 71 50.907 -13.505 26.755 1.00 0.00 H ATOM 1667 N GLN B 72 48.881 -11.014 26.135 1.00 27.16 N ATOM 1668 CA GLN B 72 48.244 -9.866 25.490 1.00 27.40 C ATOM 1669 C GLN B 72 47.162 -10.324 24.496 1.00 23.30 C ATOM 1670 O GLN B 72 46.070 -9.750 24.441 1.00 26.10 O ATOM 1671 CB GLN B 72 49.293 -8.995 24.779 1.00 32.04 C ATOM 1672 CG GLN B 72 50.153 -8.142 25.720 1.00 33.33 C ATOM 1673 CD GLN B 72 51.400 -7.587 25.046 1.00 36.78 C ATOM 1674 OE1 GLN B 72 51.538 -6.375 24.864 1.00 38.07 O ATOM 1675 NE2 GLN B 72 52.317 -8.475 24.677 1.00 32.86 N ATOM 1676 HE22 GLN B 72 52.159 -9.488 24.850 1.00 0.00 H ATOM 1677 HE21 GLN B 72 53.193 -8.157 24.215 1.00 0.00 H ATOM 1678 H GLN B 72 49.899 -11.179 26.000 1.00 0.00 H ATOM 1679 N ASN B 73 47.465 -11.369 23.729 1.00 27.88 N ATOM 1680 CA ASN B 73 46.515 -11.891 22.738 1.00 24.35 C ATOM 1681 C ASN B 73 45.257 -12.486 23.366 1.00 25.85 C ATOM 1682 O ASN B 73 44.171 -12.383 22.799 1.00 23.11 O ATOM 1683 CB ASN B 73 47.184 -12.942 21.838 1.00 23.04 C ATOM 1684 CG ASN B 73 48.273 -12.351 20.966 1.00 27.93 C ATOM 1685 OD1 ASN B 73 48.441 -11.135 20.914 1.00 25.41 O ATOM 1686 ND2 ASN B 73 49.016 -13.207 20.279 1.00 21.46 N ATOM 1687 HD22 ASN B 73 48.837 -14.229 20.355 1.00 0.00 H ATOM 1688 HD21 ASN B 73 49.778 -12.857 19.664 1.00 0.00 H ATOM 1689 H ASN B 73 48.394 -11.825 23.834 1.00 0.00 H ATOM 1690 N ARG B 74 45.395 -13.112 24.531 1.00 24.48 N ATOM 1691 CA ARG B 74 44.213 -13.598 25.244 1.00 29.41 C ATOM 1692 C ARG B 74 43.319 -12.437 25.673 1.00 25.91 C ATOM 1693 O ARG B 74 42.088 -12.498 25.553 1.00 26.98 O ATOM 1694 CB ARG B 74 44.606 -14.428 26.465 1.00 28.07 C ATOM 1695 CG ARG B 74 44.994 -15.849 26.142 1.00 30.93 C ATOM 1696 CD ARG B 74 44.950 -16.717 27.400 1.00 39.85 C ATOM 1697 NE ARG B 74 45.876 -16.241 28.424 1.00 37.71 N ATOM 1698 CZ ARG B 74 47.158 -16.582 28.482 1.00 36.06 C ATOM 1699 NH1 ARG B 74 47.670 -17.400 27.573 1.00 39.51 N ATOM 1700 NH2 ARG B 74 47.930 -16.101 29.448 1.00 46.32 N ATOM 1701 HE ARG B 74 45.509 -15.596 29.152 1.00 0.00 H ATOM 1702 HH12 ARG B 74 48.674 -17.666 27.620 1.00 0.00 H ATOM 1703 HH11 ARG B 74 47.067 -17.776 26.813 1.00 0.00 H ATOM 1704 HH22 ARG B 74 48.934 -16.368 29.493 1.00 0.00 H ATOM 1705 HH21 ARG B 74 47.531 -15.457 30.160 1.00 0.00 H ATOM 1706 H ARG B 74 46.342 -13.256 24.935 1.00 0.00 H ATOM 1707 N SER B 75 43.945 -11.374 26.162 1.00 23.82 N ATOM 1708 CA SER B 75 43.203 -10.188 26.576 1.00 28.03 C ATOM 1709 C SER B 75 42.502 -9.488 25.403 1.00 27.75 C ATOM 1710 O SER B 75 41.342 -9.075 25.520 1.00 26.59 O ATOM 1711 CB SER B 75 44.140 -9.210 27.290 1.00 30.84 C ATOM 1712 OG SER B 75 43.432 -8.051 27.682 1.00 35.30 O ATOM 1713 HG SER B 75 43.053 -7.610 26.881 1.00 0.00 H ATOM 1714 H SER B 75 44.981 -11.387 26.252 1.00 0.00 H ATOM 1715 N TYR B 76 43.208 -9.335 24.282 1.00 24.24 N ATOM 1716 CA TYR B 76 42.595 -8.821 23.054 1.00 26.88 C ATOM 1717 C TYR B 76 41.406 -9.684 22.632 1.00 23.51 C ATOM 1718 O TYR B 76 40.369 -9.170 22.231 1.00 24.79 O ATOM 1719 CB TYR B 76 43.600 -8.778 21.902 1.00 25.35 C ATOM 1720 CG TYR B 76 44.804 -7.893 22.123 1.00 24.89 C ATOM 1721 CD1 TYR B 76 44.723 -6.756 22.915 1.00 32.79 C ATOM 1722 CD2 TYR B 76 46.021 -8.200 21.537 1.00 27.15 C ATOM 1723 CE1 TYR B 76 45.824 -5.947 23.117 1.00 33.20 C ATOM 1724 CE2 TYR B 76 47.130 -7.395 21.725 1.00 31.10 C ATOM 1725 CZ TYR B 76 47.025 -6.269 22.516 1.00 35.31 C ATOM 1726 OH TYR B 76 48.130 -5.470 22.713 1.00 34.77 O ATOM 1727 HH TYR B 76 48.848 -6.001 23.140 1.00 0.00 H ATOM 1728 H TYR B 76 44.217 -9.586 24.279 1.00 0.00 H ATOM 1729 N SER B 77 41.569 -11.001 22.706 1.00 22.13 N ATOM 1730 CA SER B 77 40.524 -11.916 22.243 1.00 23.01 C ATOM 1731 C SER B 77 39.256 -11.780 23.080 1.00 23.27 C ATOM 1732 O SER B 77 38.145 -11.766 22.552 1.00 23.37 O ATOM 1733 CB SER B 77 41.017 -13.362 22.277 1.00 23.49 C ATOM 1734 OG SER B 77 42.118 -13.554 21.405 1.00 23.67 O ATOM 1735 HG SER B 77 42.862 -12.961 21.679 1.00 0.00 H ATOM 1736 H SER B 77 42.451 -11.387 23.098 1.00 0.00 H ATOM 1737 N LYS B 78 39.436 -11.654 24.391 1.00 22.58 N ATOM 1738 CA LYS B 78 38.316 -11.424 25.288 1.00 26.47 C ATOM 1739 C LYS B 78 37.618 -10.121 24.923 1.00 21.37 C ATOM 1740 O LYS B 78 36.400 -10.082 24.778 1.00 23.46 O ATOM 1741 CB LYS B 78 38.794 -11.387 26.742 1.00 28.96 C ATOM 1742 CG LYS B 78 37.675 -11.397 27.753 1.00 32.21 C ATOM 1743 CD LYS B 78 38.220 -11.482 29.163 1.00 40.19 C ATOM 1744 CE LYS B 78 37.090 -11.557 30.175 1.00 46.34 C ATOM 1745 NZ LYS B 78 37.612 -11.724 31.565 1.00 60.16 N ATOM 1746 HZ1 LYS B 78 38.166 -12.602 31.623 1.00 0.00 H ATOM 1747 HZ2 LYS B 78 38.218 -10.914 31.806 1.00 0.00 H ATOM 1748 HZ3 LYS B 78 36.814 -11.772 32.230 1.00 0.00 H ATOM 1749 H LYS B 78 40.397 -11.721 24.782 1.00 0.00 H ATOM 1750 N LEU B 79 38.407 -9.063 24.766 1.00 24.13 N ATOM 1751 CA LEU B 79 37.891 -7.743 24.413 1.00 23.03 C ATOM 1752 C LEU B 79 37.139 -7.740 23.085 1.00 22.78 C ATOM 1753 O LEU B 79 36.012 -7.247 22.994 1.00 23.34 O ATOM 1754 CB LEU B 79 39.038 -6.727 24.356 1.00 26.51 C ATOM 1755 CG LEU B 79 38.654 -5.344 23.823 1.00 29.99 C ATOM 1756 CD1 LEU B 79 37.796 -4.586 24.844 1.00 29.36 C ATOM 1757 CD2 LEU B 79 39.896 -4.540 23.441 1.00 33.92 C ATOM 1758 H LEU B 79 39.432 -9.180 24.900 1.00 0.00 H ATOM 1759 N LEU B 80 37.761 -8.296 22.050 1.00 24.04 N ATOM 1760 CA LEU B 80 37.182 -8.234 20.716 1.00 23.27 C ATOM 1761 C LEU B 80 36.002 -9.206 20.514 1.00 23.49 C ATOM 1762 O LEU B 80 35.021 -8.861 19.839 1.00 24.20 O ATOM 1763 CB LEU B 80 38.284 -8.473 19.675 1.00 21.70 C ATOM 1764 CG LEU B 80 39.410 -7.424 19.697 1.00 24.94 C ATOM 1765 CD1 LEU B 80 40.588 -7.885 18.857 1.00 28.24 C ATOM 1766 CD2 LEU B 80 38.926 -6.063 19.230 1.00 28.15 C ATOM 1767 H LEU B 80 38.670 -8.780 22.195 1.00 0.00 H ATOM 1768 N CYS B 81 36.071 -10.408 21.088 1.00 23.29 N ATOM 1769 CA CYS B 81 34.919 -11.305 21.009 1.00 23.72 C ATOM 1770 C CYS B 81 33.758 -10.700 21.788 1.00 26.58 C ATOM 1771 O CYS B 81 32.597 -10.847 21.399 1.00 28.10 O ATOM 1772 CB CYS B 81 35.237 -12.711 21.551 1.00 20.79 C ATOM 1773 SG CYS B 81 36.394 -13.713 20.573 1.00 25.34 S ATOM 1774 H CYS B 81 36.935 -10.704 21.586 1.00 0.00 H ATOM 1775 N GLY B 82 34.081 -10.027 22.896 1.00 25.72 N ATOM 1776 CA GLY B 82 33.075 -9.336 23.680 1.00 27.05 C ATOM 1777 C GLY B 82 32.327 -8.322 22.840 1.00 29.64 C ATOM 1778 O GLY B 82 31.097 -8.311 22.809 1.00 26.36 O ATOM 1779 H GLY B 82 35.074 -9.998 23.203 1.00 0.00 H ATOM 1780 N LEU B 83 33.074 -7.480 22.130 1.00 27.57 N ATOM 1781 CA LEU B 83 32.461 -6.471 21.270 1.00 29.38 C ATOM 1782 C LEU B 83 31.639 -7.096 20.152 1.00 25.47 C ATOM 1783 O LEU B 83 30.576 -6.595 19.797 1.00 28.68 O ATOM 1784 CB LEU B 83 33.531 -5.558 20.668 1.00 26.41 C ATOM 1785 CG LEU B 83 34.168 -4.599 21.671 1.00 28.86 C ATOM 1786 CD1 LEU B 83 35.562 -4.225 21.227 1.00 28.25 C ATOM 1787 CD2 LEU B 83 33.287 -3.372 21.826 1.00 32.36 C ATOM 1788 H LEU B 83 34.111 -7.541 22.188 1.00 0.00 H ATOM 1789 N LEU B 84 32.132 -8.190 19.585 1.00 26.42 N ATOM 1790 CA LEU B 84 31.434 -8.793 18.462 1.00 23.48 C ATOM 1791 C LEU B 84 30.145 -9.452 18.939 1.00 23.51 C ATOM 1792 O LEU B 84 29.127 -9.393 18.259 1.00 23.40 O ATOM 1793 CB LEU B 84 32.331 -9.802 17.739 1.00 21.81 C ATOM 1794 CG LEU B 84 33.517 -9.205 16.972 1.00 25.71 C ATOM 1795 CD1 LEU B 84 34.411 -10.297 16.388 1.00 24.89 C ATOM 1796 CD2 LEU B 84 33.018 -8.295 15.869 1.00 24.18 C ATOM 1797 H LEU B 84 33.012 -8.613 19.942 1.00 0.00 H ATOM 1798 N ALA B 85 30.202 -10.067 20.119 1.00 25.80 N ATOM 1799 CA ALA B 85 29.013 -10.630 20.756 1.00 25.40 C ATOM 1800 C ALA B 85 28.001 -9.538 21.069 1.00 27.77 C ATOM 1801 O ALA B 85 26.831 -9.628 20.704 1.00 29.33 O ATOM 1802 CB ALA B 85 29.395 -11.380 22.033 1.00 26.55 C ATOM 1803 H ALA B 85 31.120 -10.149 20.601 1.00 0.00 H ATOM 1804 N GLU B 86 28.466 -8.504 21.757 1.00 27.15 N ATOM 1805 CA GLU B 86 27.605 -7.420 22.200 1.00 27.29 C ATOM 1806 C GLU B 86 26.980 -6.672 21.026 1.00 34.15 C ATOM 1807 O GLU B 86 25.775 -6.436 20.995 1.00 30.27 O ATOM 1808 CB GLU B 86 28.403 -6.454 23.080 1.00 33.25 C ATOM 1809 CG GLU B 86 27.590 -5.298 23.639 1.00 41.15 C ATOM 1810 CD GLU B 86 28.436 -4.327 24.442 1.00 38.31 C ATOM 1811 OE1 GLU B 86 29.657 -4.568 24.585 1.00 39.34 O ATOM 1812 OE2 GLU B 86 27.879 -3.323 24.929 1.00 39.38 O ATOM 1813 H GLU B 86 29.480 -8.468 21.987 1.00 0.00 H ATOM 1814 N ARG B 87 27.799 -6.309 20.047 1.00 28.48 N ATOM 1815 CA ARG B 87 27.344 -5.408 18.990 1.00 29.19 C ATOM 1816 C ARG B 87 26.806 -6.111 17.745 1.00 30.58 C ATOM 1817 O ARG B 87 25.898 -5.601 17.087 1.00 29.63 O ATOM 1818 CB ARG B 87 28.487 -4.465 18.588 1.00 31.62 C ATOM 1819 CG ARG B 87 29.086 -3.660 19.743 1.00 29.39 C ATOM 1820 CD ARG B 87 28.043 -2.775 20.428 1.00 34.31 C ATOM 1821 NE ARG B 87 28.659 -1.911 21.433 1.00 36.47 N ATOM 1822 CZ ARG B 87 28.009 -1.365 22.461 1.00 46.23 C ATOM 1823 NH1 ARG B 87 26.710 -1.590 22.631 1.00 40.69 N ATOM 1824 NH2 ARG B 87 28.662 -0.596 23.325 1.00 36.64 N ATOM 1825 HE ARG B 87 29.675 -1.708 21.340 1.00 0.00 H ATOM 1826 HH12 ARG B 87 26.209 -1.161 23.435 1.00 0.00 H ATOM 1827 HH11 ARG B 87 26.195 -2.195 21.960 1.00 0.00 H ATOM 1828 HH22 ARG B 87 28.156 -0.170 24.127 1.00 0.00 H ATOM 1829 HH21 ARG B 87 29.679 -0.420 23.199 1.00 0.00 H ATOM 1830 H ARG B 87 28.774 -6.669 20.032 1.00 0.00 H ATOM 1831 N LEU B 88 27.367 -7.268 17.405 1.00 25.57 N ATOM 1832 CA LEU B 88 26.972 -7.947 16.173 1.00 25.10 C ATOM 1833 C LEU B 88 26.249 -9.272 16.417 1.00 25.45 C ATOM 1834 O LEU B 88 25.846 -9.948 15.463 1.00 27.96 O ATOM 1835 CB LEU B 88 28.198 -8.193 15.286 1.00 24.84 C ATOM 1836 CG LEU B 88 28.994 -6.957 14.853 1.00 29.21 C ATOM 1837 CD1 LEU B 88 30.033 -7.340 13.819 1.00 28.21 C ATOM 1838 CD2 LEU B 88 28.083 -5.861 14.318 1.00 29.53 C ATOM 1839 H LEU B 88 28.091 -7.692 18.020 1.00 0.00 H ATOM 1840 N ARG B 89 26.092 -9.633 17.687 1.00 29.01 N ATOM 1841 CA ARG B 89 25.393 -10.860 18.079 1.00 25.65 C ATOM 1842 C ARG B 89 26.036 -12.088 17.454 1.00 26.19 C ATOM 1843 O ARG B 89 25.355 -13.005 17.008 1.00 28.71 O ATOM 1844 CB ARG B 89 23.911 -10.784 17.706 1.00 32.16 C ATOM 1845 CG ARG B 89 23.206 -9.572 18.289 1.00 37.33 C ATOM 1846 CD ARG B 89 21.710 -9.617 18.019 1.00 55.85 C ATOM 1847 NE ARG B 89 21.009 -8.492 18.633 1.00 68.38 N ATOM 1848 CZ ARG B 89 19.722 -8.220 18.442 1.00 71.87 C ATOM 1849 NH1 ARG B 89 19.166 -7.175 19.041 1.00 77.23 N ATOM 1850 NH2 ARG B 89 18.989 -8.991 17.649 1.00 76.80 N ATOM 1851 HE ARG B 89 21.552 -7.864 19.260 1.00 0.00 H ATOM 1852 HH12 ARG B 89 18.159 -6.964 18.890 1.00 0.00 H ATOM 1853 HH11 ARG B 89 19.737 -6.567 19.662 1.00 0.00 H ATOM 1854 HH22 ARG B 89 17.982 -8.776 17.501 1.00 0.00 H ATOM 1855 HH21 ARG B 89 19.421 -9.810 17.176 1.00 0.00 H ATOM 1856 H ARG B 89 26.481 -9.020 18.432 1.00 0.00 H ATOM 1857 N ILE B 90 27.363 -12.085 17.430 1.00 22.84 N ATOM 1858 CA ILE B 90 28.146 -13.237 17.010 1.00 26.03 C ATOM 1859 C ILE B 90 28.692 -13.986 18.221 1.00 25.20 C ATOM 1860 O ILE B 90 29.344 -13.399 19.086 1.00 25.32 O ATOM 1861 CB ILE B 90 29.335 -12.819 16.107 1.00 24.86 C ATOM 1862 CG1 ILE B 90 28.841 -12.067 14.869 1.00 24.74 C ATOM 1863 CG2 ILE B 90 30.162 -14.032 15.702 1.00 21.66 C ATOM 1864 CD1 ILE B 90 29.957 -11.316 14.128 1.00 21.04 C ATOM 1865 H ILE B 90 27.864 -11.223 17.724 1.00 0.00 H ATOM 1866 N SER B 91 28.428 -15.287 18.268 1.00 25.61 N ATOM 1867 CA SER B 91 28.948 -16.140 19.331 1.00 22.63 C ATOM 1868 C SER B 91 30.470 -16.181 19.290 1.00 22.76 C ATOM 1869 O SER B 91 31.057 -16.344 18.225 1.00 23.16 O ATOM 1870 CB SER B 91 28.386 -17.559 19.210 1.00 25.35 C ATOM 1871 OG SER B 91 26.971 -17.558 19.290 1.00 24.16 O ATOM 1872 HG SER B 91 26.691 -17.180 20.161 1.00 0.00 H ATOM 1873 H SER B 91 27.834 -15.709 17.526 1.00 0.00 H ATOM 1874 N PRO B 92 31.113 -16.031 20.458 1.00 23.94 N ATOM 1875 CA PRO B 92 32.578 -16.063 20.537 1.00 22.76 C ATOM 1876 C PRO B 92 33.206 -17.329 19.965 1.00 22.15 C ATOM 1877 O PRO B 92 34.352 -17.270 19.508 1.00 21.44 O ATOM 1878 CB PRO B 92 32.848 -15.974 22.036 1.00 23.88 C ATOM 1879 CG PRO B 92 31.674 -15.196 22.570 1.00 26.54 C ATOM 1880 CD PRO B 92 30.496 -15.610 21.731 1.00 24.46 C ATOM 1881 N ASP B 93 32.495 -18.458 19.988 1.00 20.26 N ATOM 1882 CA ASP B 93 33.095 -19.678 19.471 1.00 20.48 C ATOM 1883 C ASP B 93 32.901 -19.798 17.954 1.00 19.10 C ATOM 1884 O ASP B 93 33.188 -20.838 17.370 1.00 19.57 O ATOM 1885 CB ASP B 93 32.545 -20.916 20.208 1.00 21.79 C ATOM 1886 CG ASP B 93 31.090 -21.222 19.882 1.00 24.89 C ATOM 1887 OD1 ASP B 93 30.343 -20.311 19.465 1.00 25.55 O ATOM 1888 OD2 ASP B 93 30.689 -22.401 20.061 1.00 27.33 O ATOM 1889 H ASP B 93 31.527 -18.465 20.369 1.00 0.00 H ATOM 1890 N ARG B 94 32.440 -18.717 17.326 1.00 20.92 N ATOM 1891 CA ARG B 94 32.366 -18.625 15.865 1.00 17.94 C ATOM 1892 C ARG B 94 33.151 -17.404 15.371 1.00 19.67 C ATOM 1893 O ARG B 94 32.835 -16.801 14.347 1.00 19.69 O ATOM 1894 CB ARG B 94 30.904 -18.577 15.402 1.00 21.08 C ATOM 1895 CG ARG B 94 30.152 -19.881 15.731 1.00 19.98 C ATOM 1896 CD ARG B 94 28.694 -19.894 15.250 1.00 21.96 C ATOM 1897 NE ARG B 94 28.546 -19.691 13.805 1.00 23.56 N ATOM 1898 CZ ARG B 94 28.803 -20.621 12.888 1.00 22.91 C ATOM 1899 NH1 ARG B 94 29.230 -21.817 13.265 1.00 20.40 N ATOM 1900 NH2 ARG B 94 28.637 -20.352 11.596 1.00 22.93 N ATOM 1901 HE ARG B 94 28.219 -18.760 13.476 1.00 0.00 H ATOM 1902 HH12 ARG B 94 29.432 -22.546 12.551 1.00 0.00 H ATOM 1903 HH11 ARG B 94 29.363 -22.027 14.275 1.00 0.00 H ATOM 1904 HH22 ARG B 94 28.839 -21.082 10.883 1.00 0.00 H ATOM 1905 HH21 ARG B 94 28.305 -19.412 11.299 1.00 0.00 H ATOM 1906 H ARG B 94 32.120 -17.907 17.895 1.00 0.00 H ATOM 1907 N VAL B 95 34.194 -17.075 16.120 1.00 21.13 N ATOM 1908 CA VAL B 95 35.118 -16.009 15.766 1.00 21.34 C ATOM 1909 C VAL B 95 36.552 -16.516 15.770 1.00 18.38 C ATOM 1910 O VAL B 95 36.963 -17.151 16.741 1.00 20.51 O ATOM 1911 CB VAL B 95 35.009 -14.839 16.757 1.00 17.43 C ATOM 1912 CG1 VAL B 95 36.119 -13.816 16.500 1.00 19.41 C ATOM 1913 CG2 VAL B 95 33.634 -14.187 16.672 1.00 21.87 C ATOM 1914 H VAL B 95 34.359 -17.603 17.001 1.00 0.00 H ATOM 1915 N TYR B 96 37.306 -16.256 14.692 1.00 18.04 N ATOM 1916 CA TYR B 96 38.765 -16.395 14.723 1.00 18.48 C ATOM 1917 C TYR B 96 39.423 -15.031 14.598 1.00 17.75 C ATOM 1918 O TYR B 96 38.986 -14.195 13.819 1.00 19.28 O ATOM 1919 CB TYR B 96 39.300 -17.293 13.603 1.00 18.84 C ATOM 1920 CG TYR B 96 38.972 -18.764 13.774 1.00 20.01 C ATOM 1921 CD1 TYR B 96 39.060 -19.371 15.018 1.00 19.26 C ATOM 1922 CD2 TYR B 96 38.564 -19.533 12.685 1.00 20.90 C ATOM 1923 CE1 TYR B 96 38.748 -20.715 15.185 1.00 20.32 C ATOM 1924 CE2 TYR B 96 38.263 -20.877 12.834 1.00 19.32 C ATOM 1925 CZ TYR B 96 38.352 -21.460 14.086 1.00 21.82 C ATOM 1926 OH TYR B 96 38.053 -22.795 14.254 1.00 20.71 O ATOM 1927 HH TYR B 96 38.660 -23.341 13.694 1.00 0.00 H ATOM 1928 H TYR B 96 36.844 -15.948 13.812 1.00 0.00 H ATOM 1929 N ILE B 97 40.487 -14.829 15.356 1.00 18.10 N ATOM 1930 CA ILE B 97 41.244 -13.589 15.265 1.00 21.55 C ATOM 1931 C ILE B 97 42.689 -13.960 15.043 1.00 18.18 C ATOM 1932 O ILE B 97 43.299 -14.615 15.882 1.00 20.13 O ATOM 1933 CB ILE B 97 41.138 -12.722 16.535 1.00 20.20 C ATOM 1934 CG1 ILE B 97 39.679 -12.451 16.916 1.00 20.08 C ATOM 1935 CG2 ILE B 97 41.908 -11.396 16.335 1.00 19.17 C ATOM 1936 CD1 ILE B 97 39.543 -11.868 18.308 1.00 26.55 C ATOM 1937 H ILE B 97 40.787 -15.566 16.026 1.00 0.00 H ATOM 1938 N ASN B 98 43.235 -13.556 13.899 1.00 16.96 N ATOM 1939 CA ASN B 98 44.642 -13.773 13.606 1.00 17.96 C ATOM 1940 C ASN B 98 45.493 -12.589 14.046 1.00 19.70 C ATOM 1941 O ASN B 98 45.238 -11.463 13.635 1.00 22.15 O ATOM 1942 CB ASN B 98 44.850 -14.024 12.113 1.00 16.82 C ATOM 1943 CG ASN B 98 44.321 -15.373 11.676 1.00 22.64 C ATOM 1944 OD1 ASN B 98 44.278 -16.311 12.472 1.00 22.54 O ATOM 1945 ND2 ASN B 98 43.924 -15.485 10.406 1.00 23.43 N ATOM 1946 HD22 ASN B 98 43.979 -14.664 9.770 1.00 0.00 H ATOM 1947 HD21 ASN B 98 43.560 -16.393 10.053 1.00 0.00 H ATOM 1948 H ASN B 98 42.640 -13.073 13.196 1.00 0.00 H ATOM 1949 N TYR B 99 46.509 -12.862 14.863 1.00 18.82 N ATOM 1950 CA TYR B 99 47.387 -11.821 15.384 1.00 21.44 C ATOM 1951 C TYR B 99 48.715 -11.841 14.651 1.00 21.04 C ATOM 1952 O TYR B 99 49.300 -12.903 14.423 1.00 21.29 O ATOM 1953 CB TYR B 99 47.607 -11.995 16.896 1.00 18.37 C ATOM 1954 CG TYR B 99 46.341 -11.833 17.691 1.00 21.87 C ATOM 1955 CD1 TYR B 99 45.882 -10.577 18.054 1.00 20.76 C ATOM 1956 CD2 TYR B 99 45.592 -12.942 18.074 1.00 21.69 C ATOM 1957 CE1 TYR B 99 44.717 -10.424 18.768 1.00 22.63 C ATOM 1958 CE2 TYR B 99 44.432 -12.801 18.794 1.00 21.79 C ATOM 1959 CZ TYR B 99 43.990 -11.545 19.133 1.00 23.88 C ATOM 1960 OH TYR B 99 42.825 -11.391 19.843 1.00 22.72 O ATOM 1961 HH TYR B 99 42.906 -11.858 20.712 1.00 0.00 H ATOM 1962 H TYR B 99 46.682 -13.850 15.138 1.00 0.00 H ATOM 1963 N TYR B 100 49.187 -10.652 14.288 1.00 19.16 N ATOM 1964 CA TYR B 100 50.432 -10.508 13.540 1.00 19.05 C ATOM 1965 C TYR B 100 51.302 -9.462 14.200 1.00 17.25 C ATOM 1966 O TYR B 100 50.883 -8.318 14.366 1.00 20.57 O ATOM 1967 CB TYR B 100 50.158 -10.108 12.091 1.00 22.31 C ATOM 1968 CG TYR B 100 49.293 -11.094 11.354 1.00 22.61 C ATOM 1969 CD1 TYR B 100 49.845 -12.238 10.792 1.00 24.41 C ATOM 1970 CD2 TYR B 100 47.928 -10.894 11.241 1.00 23.04 C ATOM 1971 CE1 TYR B 100 49.066 -13.152 10.123 1.00 26.40 C ATOM 1972 CE2 TYR B 100 47.137 -11.800 10.567 1.00 21.34 C ATOM 1973 CZ TYR B 100 47.712 -12.929 10.016 1.00 26.08 C ATOM 1974 OH TYR B 100 46.929 -13.833 9.345 1.00 26.13 O ATOM 1975 HH TYR B 100 46.493 -13.384 8.578 1.00 0.00 H ATOM 1976 H TYR B 100 48.652 -9.798 14.545 1.00 0.00 H ATOM 1977 N ASP B 101 52.500 -9.881 14.587 1.00 18.31 N ATOM 1978 CA ASP B 101 53.509 -8.988 15.142 1.00 23.20 C ATOM 1979 C ASP B 101 54.396 -8.557 13.990 1.00 21.58 C ATOM 1980 O ASP B 101 55.229 -9.333 13.524 1.00 22.09 O ATOM 1981 CB ASP B 101 54.309 -9.703 16.238 1.00 25.99 C ATOM 1982 CG ASP B 101 55.300 -8.794 16.934 1.00 27.40 C ATOM 1983 OD1 ASP B 101 55.473 -7.641 16.497 1.00 23.81 O ATOM 1984 OD2 ASP B 101 55.918 -9.243 17.917 1.00 31.48 O ATOM 1985 H ASP B 101 52.729 -10.891 14.490 1.00 0.00 H ATOM 1986 N MET B 102 54.205 -7.327 13.515 1.00 21.33 N ATOM 1987 CA MET B 102 54.890 -6.874 12.301 1.00 21.85 C ATOM 1988 C MET B 102 56.247 -6.240 12.612 1.00 22.08 C ATOM 1989 O MET B 102 56.380 -5.481 13.574 1.00 23.89 O ATOM 1990 CB MET B 102 54.018 -5.866 11.535 1.00 19.35 C ATOM 1991 CG MET B 102 52.670 -6.409 11.051 1.00 23.10 C ATOM 1992 SD MET B 102 52.837 -7.698 9.796 1.00 23.83 S ATOM 1993 CE MET B 102 53.364 -6.782 8.343 1.00 21.60 C ATOM 1994 H MET B 102 53.561 -6.679 14.012 1.00 0.00 H ATOM 1995 N ASN B 103 57.248 -6.559 11.802 1.00 23.37 N ATOM 1996 CA ASN B 103 58.518 -5.842 11.864 1.00 22.33 C ATOM 1997 C ASN B 103 58.278 -4.433 11.333 1.00 25.93 C ATOM 1998 O ASN B 103 57.593 -4.256 10.327 1.00 23.09 O ATOM 1999 CB ASN B 103 59.598 -6.563 11.059 1.00 26.71 C ATOM 2000 CG ASN B 103 60.983 -5.985 11.294 1.00 34.35 C ATOM 2001 OD1 ASN B 103 61.264 -4.841 10.928 1.00 27.59 O ATOM 2002 ND2 ASN B 103 61.856 -6.774 11.912 1.00 36.11 N ATOM 2003 HD22 ASN B 103 61.576 -7.732 12.203 1.00 0.00 H ATOM 2004 HD21 ASN B 103 62.820 -6.433 12.104 1.00 0.00 H ATOM 2005 H ASN B 103 57.126 -7.330 11.114 1.00 0.00 H ATOM 2006 N ALA B 104 58.824 -3.429 12.013 1.00 24.86 N ATOM 2007 CA ALA B 104 58.577 -2.042 11.630 1.00 26.18 C ATOM 2008 C ALA B 104 59.049 -1.746 10.202 1.00 20.22 C ATOM 2009 O ALA B 104 58.464 -0.906 9.517 1.00 20.18 O ATOM 2010 CB ALA B 104 59.246 -1.087 12.627 1.00 24.52 C ATOM 2011 H ALA B 104 59.435 -3.635 12.829 1.00 0.00 H ATOM 2012 N ALA B 105 60.079 -2.456 9.748 1.00 22.22 N ATOM 2013 CA ALA B 105 60.581 -2.296 8.381 1.00 22.68 C ATOM 2014 C ALA B 105 59.622 -2.876 7.346 1.00 24.63 C ATOM 2015 O ALA B 105 59.761 -2.613 6.155 1.00 21.08 O ATOM 2016 CB ALA B 105 61.954 -2.946 8.234 1.00 23.42 C ATOM 2017 H ALA B 105 60.539 -3.142 10.380 1.00 0.00 H ATOM 2018 N ASN B 106 58.667 -3.684 7.797 1.00 20.12 N ATOM 2019 CA ASN B 106 57.675 -4.263 6.894 1.00 22.44 C ATOM 2020 C ASN B 106 56.306 -3.580 6.984 1.00 20.80 C ATOM 2021 O ASN B 106 55.288 -4.120 6.534 1.00 20.07 O ATOM 2022 CB ASN B 106 57.539 -5.760 7.170 1.00 21.31 C ATOM 2023 CG ASN B 106 58.778 -6.526 6.776 1.00 21.83 C ATOM 2024 OD1 ASN B 106 59.468 -6.162 5.824 1.00 25.27 O ATOM 2025 ND2 ASN B 106 59.073 -7.595 7.504 1.00 26.00 N ATOM 2026 HD22 ASN B 106 58.462 -7.867 8.300 1.00 0.00 H ATOM 2027 HD21 ASN B 106 59.916 -8.161 7.278 1.00 0.00 H ATOM 2028 H ASN B 106 58.625 -3.908 8.812 1.00 0.00 H ATOM 2029 N VAL B 107 56.268 -2.384 7.558 1.00 18.79 N ATOM 2030 CA VAL B 107 55.040 -1.606 7.519 1.00 17.48 C ATOM 2031 C VAL B 107 55.312 -0.264 6.858 1.00 21.33 C ATOM 2032 O VAL B 107 56.100 0.537 7.365 1.00 21.10 O ATOM 2033 CB VAL B 107 54.444 -1.366 8.922 1.00 15.89 C ATOM 2034 CG1 VAL B 107 53.134 -0.585 8.809 1.00 21.28 C ATOM 2035 CG2 VAL B 107 54.221 -2.697 9.646 1.00 19.58 C ATOM 2036 H VAL B 107 57.112 -2.005 8.033 1.00 0.00 H ATOM 2037 N GLY B 108 54.670 -0.034 5.721 1.00 18.98 N ATOM 2038 CA GLY B 108 54.829 1.219 5.008 1.00 16.69 C ATOM 2039 C GLY B 108 53.757 2.213 5.403 1.00 18.82 C ATOM 2040 O GLY B 108 52.595 1.858 5.616 1.00 20.82 O ATOM 2041 H GLY B 108 54.041 -0.766 5.333 1.00 0.00 H ATOM 2042 N TRP B 109 54.167 3.473 5.516 1.00 18.09 N ATOM 2043 CA TRP B 109 53.270 4.564 5.834 1.00 19.30 C ATOM 2044 C TRP B 109 53.885 5.832 5.269 1.00 22.40 C ATOM 2045 O TRP B 109 55.078 6.037 5.438 1.00 19.66 O ATOM 2046 CB TRP B 109 53.073 4.707 7.346 1.00 20.19 C ATOM 2047 CG TRP B 109 52.313 5.946 7.704 1.00 21.33 C ATOM 2048 CD1 TRP B 109 50.983 6.168 7.529 1.00 20.75 C ATOM 2049 CD2 TRP B 109 52.848 7.154 8.269 1.00 22.94 C ATOM 2050 NE1 TRP B 109 50.648 7.426 7.959 1.00 22.66 N ATOM 2051 CE2 TRP B 109 51.778 8.055 8.414 1.00 29.79 C ATOM 2052 CE3 TRP B 109 54.128 7.560 8.659 1.00 29.31 C ATOM 2053 CZ2 TRP B 109 51.946 9.336 8.941 1.00 32.42 C ATOM 2054 CZ3 TRP B 109 54.292 8.836 9.178 1.00 23.31 C ATOM 2055 CH2 TRP B 109 53.210 9.704 9.315 1.00 27.14 C ATOM 2056 HE1 TRP B 109 49.692 7.836 7.943 1.00 0.00 H ATOM 2057 H TRP B 109 55.175 3.684 5.370 1.00 0.00 H ATOM 2058 N ASN B 110 53.084 6.652 4.595 1.00 20.93 N ATOM 2059 CA ASN B 110 53.518 7.989 4.150 1.00 21.62 C ATOM 2060 C ASN B 110 54.930 8.008 3.580 1.00 19.10 C ATOM 2061 O ASN B 110 55.837 8.640 4.144 1.00 22.63 O ATOM 2062 CB ASN B 110 53.417 8.985 5.303 1.00 21.42 C ATOM 2063 CG ASN B 110 53.648 10.423 4.853 1.00 24.81 C ATOM 2064 OD1 ASN B 110 53.531 10.735 3.672 1.00 22.23 O ATOM 2065 ND2 ASN B 110 53.969 11.304 5.800 1.00 22.86 N ATOM 2066 HD22 ASN B 110 54.057 10.995 6.789 1.00 0.00 H ATOM 2067 HD21 ASN B 110 54.131 12.300 5.550 1.00 0.00 H ATOM 2068 H ASN B 110 52.117 6.339 4.374 1.00 0.00 H ATOM 2069 N ASN B 111 55.119 7.254 2.500 1.00 22.57 N ATOM 2070 CA ASN B 111 56.333 7.309 1.690 1.00 21.57 C ATOM 2071 C ASN B 111 57.583 6.802 2.383 1.00 24.21 C ATOM 2072 O ASN B 111 58.695 7.125 1.978 1.00 23.57 O ATOM 2073 CB ASN B 111 56.556 8.746 1.187 1.00 18.43 C ATOM 2074 CG ASN B 111 55.453 9.197 0.255 1.00 17.09 C ATOM 2075 OD1 ASN B 111 55.386 8.749 -0.892 1.00 19.61 O ATOM 2076 ND2 ASN B 111 54.554 10.057 0.746 1.00 17.98 N ATOM 2077 HD22 ASN B 111 54.649 10.410 1.720 1.00 0.00 H ATOM 2078 HD21 ASN B 111 53.760 10.373 0.154 1.00 0.00 H ATOM 2079 H ASN B 111 54.366 6.594 2.219 1.00 0.00 H ATOM 2080 N SER B 112 57.406 5.977 3.411 1.00 18.66 N ATOM 2081 CA SER B 112 58.542 5.321 4.038 1.00 22.56 C ATOM 2082 C SER B 112 58.042 4.119 4.818 1.00 22.36 C ATOM 2083 O SER B 112 56.928 3.633 4.584 1.00 21.05 O ATOM 2084 CB SER B 112 59.297 6.289 4.956 1.00 20.94 C ATOM 2085 OG SER B 112 60.570 5.766 5.288 1.00 24.11 O ATOM 2086 HG SER B 112 61.043 6.403 5.880 1.00 0.00 H ATOM 2087 H SER B 112 56.446 5.799 3.770 1.00 0.00 H ATOM 2088 N THR B 113 58.858 3.628 5.739 1.00 20.75 N ATOM 2089 CA THR B 113 58.387 2.608 6.667 1.00 23.00 C ATOM 2090 C THR B 113 58.549 3.113 8.093 1.00 26.59 C ATOM 2091 O THR B 113 59.060 4.216 8.322 1.00 23.03 O ATOM 2092 CB THR B 113 59.140 1.264 6.507 1.00 21.14 C ATOM 2093 OG1 THR B 113 60.532 1.447 6.805 1.00 22.72 O ATOM 2094 CG2 THR B 113 58.999 0.728 5.095 1.00 21.23 C ATOM 2095 HG1 THR B 113 61.007 0.585 6.701 1.00 0.00 H ATOM 2096 H THR B 113 59.838 3.972 5.800 1.00 0.00 H ATOM 2097 N PHE B 114 58.126 2.303 9.054 1.00 20.13 N ATOM 2098 CA PHE B 114 58.218 2.696 10.457 1.00 22.45 C ATOM 2099 C PHE B 114 59.577 2.380 11.070 1.00 21.54 C ATOM 2100 O PHE B 114 59.824 2.724 12.219 1.00 28.10 O ATOM 2101 CB PHE B 114 57.110 2.026 11.276 1.00 22.87 C ATOM 2102 CG PHE B 114 55.784 2.720 11.178 1.00 22.99 C ATOM 2103 CD1 PHE B 114 55.589 3.958 11.766 1.00 33.46 C ATOM 2104 CD2 PHE B 114 54.723 2.131 10.494 1.00 24.63 C ATOM 2105 CE1 PHE B 114 54.365 4.601 11.673 1.00 33.71 C ATOM 2106 CE2 PHE B 114 53.501 2.766 10.403 1.00 23.47 C ATOM 2107 CZ PHE B 114 53.318 4.003 10.991 1.00 27.45 C ATOM 2108 H PHE B 114 57.724 1.377 8.805 1.00 0.00 H ATOM 2109 N ALA B 115 60.451 1.726 10.313 1.00 20.79 N ATOM 2110 CA ALA B 115 61.769 1.368 10.824 1.00 23.92 C ATOM 2111 C ALA B 115 62.599 2.612 11.110 1.00 33.13 C ATOM 2112 O ALA B 115 63.493 2.599 11.960 1.00 35.42 O ATOM 2113 CB ALA B 115 62.498 0.459 9.844 1.00 25.71 C ATOM 2114 OXT ALA B 115 62.386 3.655 10.499 1.00 29.18 O ATOM 2115 H ALA B 115 60.191 1.465 9.340 1.00 0.00 H TER 2116 ALA B 115 ATOM 2117 N PRO C 2 41.887 -25.278 9.808 1.00 24.96 N ATOM 2118 CA PRO C 2 42.207 -24.154 8.913 1.00 22.49 C ATOM 2119 C PRO C 2 41.102 -23.171 8.548 1.00 21.67 C ATOM 2120 O PRO C 2 39.920 -23.431 8.738 1.00 20.95 O ATOM 2121 CB PRO C 2 42.708 -24.865 7.651 1.00 23.22 C ATOM 2122 CG PRO C 2 42.076 -26.230 7.709 1.00 25.85 C ATOM 2123 CD PRO C 2 42.132 -26.578 9.166 1.00 24.10 C ATOM 2124 HN2 PRO C 2 40.884 -25.219 10.077 1.00 0.00 H ATOM 2125 HN1 PRO C 2 42.478 -25.207 10.661 1.00 0.00 H ATOM 2126 N MET C 3 41.523 -22.008 8.050 1.00 17.84 N ATOM 2127 CA MET C 3 40.597 -21.072 7.441 1.00 19.40 C ATOM 2128 C MET C 3 41.056 -20.816 6.020 1.00 18.88 C ATOM 2129 O MET C 3 42.247 -20.666 5.746 1.00 17.48 O ATOM 2130 CB MET C 3 40.470 -19.761 8.231 1.00 19.36 C ATOM 2131 CG MET C 3 41.768 -19.098 8.627 1.00 23.75 C ATOM 2132 SD MET C 3 41.437 -17.539 9.511 1.00 26.63 S ATOM 2133 CE MET C 3 40.784 -16.549 8.192 1.00 19.36 C ATOM 2134 H MET C 3 42.534 -21.768 8.099 1.00 0.00 H ATOM 2135 N PHE C 4 40.094 -20.783 5.111 1.00 16.36 N ATOM 2136 CA PHE C 4 40.405 -20.640 3.708 1.00 18.40 C ATOM 2137 C PHE C 4 39.608 -19.502 3.124 1.00 16.83 C ATOM 2138 O PHE C 4 38.386 -19.467 3.247 1.00 18.42 O ATOM 2139 CB PHE C 4 40.112 -21.932 2.955 1.00 16.43 C ATOM 2140 CG PHE C 4 40.373 -21.836 1.480 1.00 19.97 C ATOM 2141 CD1 PHE C 4 41.667 -21.725 0.998 1.00 20.08 C ATOM 2142 CD2 PHE C 4 39.322 -21.835 0.582 1.00 21.55 C ATOM 2143 CE1 PHE C 4 41.912 -21.634 -0.362 1.00 18.24 C ATOM 2144 CE2 PHE C 4 39.550 -21.740 -0.786 1.00 24.17 C ATOM 2145 CZ PHE C 4 40.845 -21.641 -1.262 1.00 24.11 C ATOM 2146 H PHE C 4 39.101 -20.861 5.411 1.00 0.00 H ATOM 2147 N ILE C 5 40.310 -18.580 2.481 1.00 16.94 N ATOM 2148 CA ILE C 5 39.675 -17.435 1.855 1.00 15.91 C ATOM 2149 C ILE C 5 39.986 -17.417 0.383 1.00 15.96 C ATOM 2150 O ILE C 5 41.137 -17.616 -0.012 1.00 18.25 O ATOM 2151 CB ILE C 5 40.147 -16.106 2.492 1.00 16.60 C ATOM 2152 CG1 ILE C 5 39.997 -16.158 4.013 1.00 20.27 C ATOM 2153 CG2 ILE C 5 39.370 -14.940 1.902 1.00 17.45 C ATOM 2154 CD1 ILE C 5 40.783 -15.052 4.741 1.00 20.65 C ATOM 2155 H ILE C 5 41.344 -18.680 2.423 1.00 0.00 H ATOM 2156 N VAL C 6 38.963 -17.208 -0.436 1.00 14.71 N ATOM 2157 CA VAL C 6 39.216 -17.034 -1.867 1.00 18.67 C ATOM 2158 C VAL C 6 38.564 -15.770 -2.376 1.00 17.39 C ATOM 2159 O VAL C 6 37.377 -15.540 -2.163 1.00 18.94 O ATOM 2160 CB VAL C 6 38.726 -18.241 -2.699 1.00 26.66 C ATOM 2161 CG1 VAL C 6 37.345 -18.626 -2.306 1.00 24.56 C ATOM 2162 CG2 VAL C 6 38.795 -17.937 -4.204 1.00 20.85 C ATOM 2163 H VAL C 6 37.992 -17.168 -0.065 1.00 0.00 H ATOM 2164 N ASN C 7 39.384 -14.924 -2.996 1.00 18.59 N ATOM 2165 CA ASN C 7 38.898 -13.726 -3.658 1.00 17.15 C ATOM 2166 C ASN C 7 38.954 -13.937 -5.165 1.00 14.82 C ATOM 2167 O ASN C 7 39.971 -14.389 -5.683 1.00 18.15 O ATOM 2168 CB ASN C 7 39.728 -12.509 -3.243 1.00 16.62 C ATOM 2169 CG ASN C 7 39.813 -12.347 -1.733 1.00 18.41 C ATOM 2170 OD1 ASN C 7 38.969 -11.693 -1.124 1.00 19.25 O ATOM 2171 ND2 ASN C 7 40.838 -12.942 -1.124 1.00 17.20 N ATOM 2172 HD22 ASN C 7 41.529 -13.486 -1.680 1.00 0.00 H ATOM 2173 HD21 ASN C 7 40.947 -12.863 -0.093 1.00 0.00 H ATOM 2174 H ASN C 7 40.404 -15.127 -3.007 1.00 0.00 H ATOM 2175 N THR C 8 37.859 -13.641 -5.863 1.00 16.45 N ATOM 2176 CA THR C 8 37.834 -13.894 -7.304 1.00 16.63 C ATOM 2177 C THR C 8 37.001 -12.876 -8.075 1.00 18.43 C ATOM 2178 O THR C 8 36.087 -12.274 -7.522 1.00 19.28 O ATOM 2179 CB THR C 8 37.307 -15.323 -7.594 1.00 18.41 C ATOM 2180 OG1 THR C 8 37.323 -15.561 -9.002 1.00 19.04 O ATOM 2181 CG2 THR C 8 35.873 -15.472 -7.073 1.00 16.91 C ATOM 2182 HG1 THR C 8 38.250 -15.476 -9.339 1.00 0.00 H ATOM 2183 H THR C 8 37.029 -13.233 -5.388 1.00 0.00 H ATOM 2184 N ASN C 9 37.327 -12.678 -9.354 1.00 17.55 N ATOM 2185 CA ASN C 9 36.561 -11.768 -10.209 1.00 20.37 C ATOM 2186 C ASN C 9 35.365 -12.458 -10.871 1.00 23.80 C ATOM 2187 O ASN C 9 34.551 -11.823 -11.526 1.00 21.78 O ATOM 2188 CB ASN C 9 37.460 -11.133 -11.292 1.00 20.71 C ATOM 2189 CG ASN C 9 38.218 -12.156 -12.124 1.00 21.64 C ATOM 2190 OD1 ASN C 9 38.279 -13.345 -11.789 1.00 20.53 O ATOM 2191 ND2 ASN C 9 38.819 -11.687 -13.220 1.00 22.40 N ATOM 2192 HD22 ASN C 9 38.742 -10.679 -13.465 1.00 0.00 H ATOM 2193 HD21 ASN C 9 39.364 -12.330 -13.829 1.00 0.00 H ATOM 2194 H ASN C 9 38.145 -13.182 -9.753 1.00 0.00 H ATOM 2195 N VAL C 10 35.259 -13.763 -10.684 1.00 21.35 N ATOM 2196 CA VAL C 10 34.117 -14.516 -11.190 1.00 21.95 C ATOM 2197 C VAL C 10 32.842 -14.017 -10.499 1.00 22.36 C ATOM 2198 O VAL C 10 32.864 -13.718 -9.313 1.00 22.00 O ATOM 2199 CB VAL C 10 34.350 -16.023 -10.952 1.00 28.11 C ATOM 2200 CG1 VAL C 10 33.104 -16.804 -11.153 1.00 36.50 C ATOM 2201 CG2 VAL C 10 35.484 -16.525 -11.870 1.00 24.27 C ATOM 2202 H VAL C 10 36.007 -14.264 -10.164 1.00 0.00 H ATOM 2203 N PRO C 11 31.731 -13.878 -11.240 1.00 24.15 N ATOM 2204 CA PRO C 11 30.547 -13.345 -10.550 1.00 25.84 C ATOM 2205 C PRO C 11 29.894 -14.334 -9.570 1.00 24.14 C ATOM 2206 O PRO C 11 30.144 -15.540 -9.627 1.00 25.14 O ATOM 2207 CB PRO C 11 29.591 -12.997 -11.701 1.00 28.63 C ATOM 2208 CG PRO C 11 30.040 -13.809 -12.850 1.00 24.02 C ATOM 2209 CD PRO C 11 31.523 -14.043 -12.689 1.00 26.21 C ATOM 2210 N ARG C 12 29.076 -13.803 -8.667 1.00 21.57 N ATOM 2211 CA ARG C 12 28.467 -14.597 -7.606 1.00 25.76 C ATOM 2212 C ARG C 12 27.622 -15.736 -8.166 1.00 30.17 C ATOM 2213 O ARG C 12 27.602 -16.837 -7.609 1.00 29.18 O ATOM 2214 CB ARG C 12 27.614 -13.706 -6.706 1.00 26.89 C ATOM 2215 CG ARG C 12 26.980 -14.444 -5.535 1.00 41.06 C ATOM 2216 CD ARG C 12 26.195 -13.484 -4.656 1.00 55.15 C ATOM 2217 NE ARG C 12 25.583 -14.146 -3.506 1.00 68.56 N ATOM 2218 CZ ARG C 12 24.873 -13.512 -2.576 1.00 74.28 C ATOM 2219 NH1 ARG C 12 24.687 -12.199 -2.659 1.00 74.92 N ATOM 2220 NH2 ARG C 12 24.348 -14.187 -1.560 1.00 75.79 N ATOM 2221 HE ARG C 12 25.710 -15.174 -3.409 1.00 0.00 H ATOM 2222 HH12 ARG C 12 24.132 -11.705 -1.931 1.00 0.00 H ATOM 2223 HH11 ARG C 12 25.097 -11.665 -3.452 1.00 0.00 H ATOM 2224 HH22 ARG C 12 23.794 -13.688 -0.835 1.00 0.00 H ATOM 2225 HH21 ARG C 12 24.491 -15.215 -1.489 1.00 0.00 H ATOM 2226 H ARG C 12 28.863 -12.786 -8.719 1.00 0.00 H ATOM 2227 N ALA C 13 26.942 -15.475 -9.278 1.00 27.46 N ATOM 2228 CA ALA C 13 26.066 -16.477 -9.876 1.00 30.23 C ATOM 2229 C ALA C 13 26.840 -17.701 -10.349 1.00 31.42 C ATOM 2230 O ALA C 13 26.268 -18.778 -10.512 1.00 33.67 O ATOM 2231 CB ALA C 13 25.280 -15.869 -11.031 1.00 31.81 C ATOM 2232 H ALA C 13 27.036 -14.542 -9.729 1.00 0.00 H ATOM 2233 N SER C 14 28.143 -17.546 -10.565 1.00 25.76 N ATOM 2234 CA SER C 14 28.965 -18.666 -11.004 1.00 26.60 C ATOM 2235 C SER C 14 29.504 -19.525 -9.849 1.00 25.37 C ATOM 2236 O SER C 14 30.168 -20.536 -10.079 1.00 28.39 O ATOM 2237 CB SER C 14 30.137 -18.173 -11.841 1.00 30.50 C ATOM 2238 OG SER C 14 29.696 -17.437 -12.961 1.00 44.98 O ATOM 2239 HG SER C 14 30.480 -17.131 -13.483 1.00 0.00 H ATOM 2240 H SER C 14 28.581 -16.614 -10.419 1.00 0.00 H ATOM 2241 N VAL C 15 29.242 -19.115 -8.616 1.00 24.02 N ATOM 2242 CA VAL C 15 29.613 -19.933 -7.464 1.00 22.75 C ATOM 2243 C VAL C 15 28.486 -20.933 -7.215 1.00 22.27 C ATOM 2244 O VAL C 15 27.374 -20.536 -6.906 1.00 19.91 O ATOM 2245 CB VAL C 15 29.866 -19.081 -6.217 1.00 25.00 C ATOM 2246 CG1 VAL C 15 30.185 -19.974 -5.007 1.00 24.17 C ATOM 2247 CG2 VAL C 15 31.007 -18.103 -6.492 1.00 21.96 C ATOM 2248 H VAL C 15 28.767 -18.202 -8.467 1.00 0.00 H ATOM 2249 N PRO C 16 28.770 -22.232 -7.379 1.00 23.38 N ATOM 2250 CA PRO C 16 27.664 -23.196 -7.325 1.00 23.39 C ATOM 2251 C PRO C 16 27.136 -23.389 -5.913 1.00 20.14 C ATOM 2252 O PRO C 16 27.896 -23.278 -4.955 1.00 23.12 O ATOM 2253 CB PRO C 16 28.301 -24.486 -7.846 1.00 22.92 C ATOM 2254 CG PRO C 16 29.730 -24.377 -7.461 1.00 23.81 C ATOM 2255 CD PRO C 16 30.073 -22.892 -7.577 1.00 23.19 C ATOM 2256 N ASP C 17 25.838 -23.641 -5.797 1.00 20.28 N ATOM 2257 CA ASP C 17 25.252 -24.097 -4.544 1.00 23.13 C ATOM 2258 C ASP C 17 26.098 -25.222 -3.958 1.00 20.33 C ATOM 2259 O ASP C 17 26.510 -26.130 -4.682 1.00 22.01 O ATOM 2260 CB ASP C 17 23.824 -24.580 -4.781 1.00 20.92 C ATOM 2261 CG ASP C 17 23.123 -24.999 -3.498 1.00 24.85 C ATOM 2262 OD1 ASP C 17 23.110 -24.215 -2.535 1.00 25.21 O ATOM 2263 OD2 ASP C 17 22.561 -26.112 -3.463 1.00 26.18 O ATOM 2264 H ASP C 17 25.222 -23.509 -6.624 1.00 0.00 H ATOM 2265 N GLY C 18 26.387 -25.141 -2.663 1.00 20.72 N ATOM 2266 CA GLY C 18 27.135 -26.188 -1.996 1.00 22.31 C ATOM 2267 C GLY C 18 28.649 -26.011 -1.997 1.00 24.23 C ATOM 2268 O GLY C 18 29.369 -26.831 -1.440 1.00 20.10 O ATOM 2269 H GLY C 18 26.071 -24.313 -2.119 1.00 0.00 H ATOM 2270 N PHE C 19 29.138 -24.941 -2.612 1.00 18.05 N ATOM 2271 CA PHE C 19 30.582 -24.755 -2.740 1.00 19.50 C ATOM 2272 C PHE C 19 31.272 -24.570 -1.370 1.00 19.77 C ATOM 2273 O PHE C 19 32.333 -25.148 -1.116 1.00 18.22 O ATOM 2274 CB PHE C 19 30.859 -23.558 -3.670 1.00 23.17 C ATOM 2275 CG PHE C 19 32.313 -23.318 -3.955 1.00 22.67 C ATOM 2276 CD1 PHE C 19 33.080 -24.278 -4.586 1.00 22.06 C ATOM 2277 CD2 PHE C 19 32.901 -22.103 -3.624 1.00 23.43 C ATOM 2278 CE1 PHE C 19 34.409 -24.052 -4.848 1.00 27.17 C ATOM 2279 CE2 PHE C 19 34.237 -21.865 -3.900 1.00 26.59 C ATOM 2280 CZ PHE C 19 34.989 -22.838 -4.510 1.00 26.60 C ATOM 2281 H PHE C 19 28.489 -24.230 -3.006 1.00 0.00 H ATOM 2282 N LEU C 20 30.679 -23.780 -0.475 1.00 18.79 N ATOM 2283 CA LEU C 20 31.302 -23.607 0.843 1.00 18.12 C ATOM 2284 C LEU C 20 31.311 -24.915 1.634 1.00 22.62 C ATOM 2285 O LEU C 20 32.264 -25.193 2.364 1.00 16.96 O ATOM 2286 CB LEU C 20 30.597 -22.527 1.667 1.00 18.66 C ATOM 2287 CG LEU C 20 30.768 -21.098 1.182 1.00 28.09 C ATOM 2288 CD1 LEU C 20 30.363 -20.095 2.243 1.00 26.91 C ATOM 2289 CD2 LEU C 20 32.198 -20.931 0.855 1.00 29.13 C ATOM 2290 H LEU C 20 29.789 -23.294 -0.707 1.00 0.00 H ATOM 2291 N SER C 21 30.234 -25.696 1.506 1.00 19.49 N ATOM 2292 CA SER C 21 30.178 -27.023 2.116 1.00 20.26 C ATOM 2293 C SER C 21 31.268 -27.928 1.567 1.00 18.80 C ATOM 2294 O SER C 21 31.965 -28.588 2.332 1.00 19.38 O ATOM 2295 CB SER C 21 28.813 -27.670 1.892 1.00 20.79 C ATOM 2296 OG SER C 21 27.788 -26.912 2.494 1.00 22.94 O ATOM 2297 HG SER C 21 26.916 -27.353 2.334 1.00 0.00 H ATOM 2298 H SER C 21 29.418 -25.352 0.961 1.00 0.00 H ATOM 2299 N GLU C 22 31.418 -27.977 0.244 1.00 17.49 N ATOM 2300 CA GLU C 22 32.453 -28.829 -0.334 1.00 19.43 C ATOM 2301 C GLU C 22 33.855 -28.419 0.117 1.00 19.53 C ATOM 2302 O GLU C 22 34.681 -29.270 0.450 1.00 18.78 O ATOM 2303 CB GLU C 22 32.405 -28.836 -1.865 1.00 17.78 C ATOM 2304 CG GLU C 22 33.444 -29.809 -2.400 1.00 17.91 C ATOM 2305 CD GLU C 22 33.500 -29.921 -3.908 1.00 18.63 C ATOM 2306 OE1 GLU C 22 32.988 -29.023 -4.611 1.00 22.64 O ATOM 2307 OE2 GLU C 22 34.087 -30.924 -4.377 1.00 23.13 O ATOM 2308 H GLU C 22 30.801 -27.411 -0.373 1.00 0.00 H ATOM 2309 N LEU C 23 34.124 -27.118 0.139 1.00 18.01 N ATOM 2310 CA LEU C 23 35.416 -26.646 0.625 1.00 20.94 C ATOM 2311 C LEU C 23 35.669 -27.101 2.064 1.00 16.90 C ATOM 2312 O LEU C 23 36.752 -27.576 2.395 1.00 18.66 O ATOM 2313 CB LEU C 23 35.503 -25.120 0.548 1.00 19.65 C ATOM 2314 CG LEU C 23 35.673 -24.476 -0.830 1.00 22.80 C ATOM 2315 CD1 LEU C 23 35.646 -22.968 -0.698 1.00 25.19 C ATOM 2316 CD2 LEU C 23 36.973 -24.935 -1.484 1.00 22.34 C ATOM 2317 H LEU C 23 33.412 -26.435 -0.191 1.00 0.00 H ATOM 2318 N THR C 24 34.663 -26.947 2.919 1.00 20.13 N ATOM 2319 CA THR C 24 34.784 -27.383 4.310 1.00 20.20 C ATOM 2320 C THR C 24 35.116 -28.868 4.379 1.00 18.15 C ATOM 2321 O THR C 24 36.071 -29.289 5.050 1.00 19.27 O ATOM 2322 CB THR C 24 33.488 -27.129 5.095 1.00 22.06 C ATOM 2323 OG1 THR C 24 33.138 -25.737 5.034 1.00 20.35 O ATOM 2324 CG2 THR C 24 33.660 -27.560 6.558 1.00 19.96 C ATOM 2325 HG1 THR C 24 33.003 -25.473 4.089 1.00 0.00 H ATOM 2326 H THR C 24 33.777 -26.510 2.594 1.00 0.00 H ATOM 2327 N GLN C 25 34.335 -29.661 3.657 1.00 19.06 N ATOM 2328 CA GLN C 25 34.495 -31.113 3.681 1.00 17.77 C ATOM 2329 C GLN C 25 35.857 -31.549 3.164 1.00 19.53 C ATOM 2330 O GLN C 25 36.512 -32.392 3.766 1.00 18.67 O ATOM 2331 CB GLN C 25 33.387 -31.777 2.860 1.00 17.83 C ATOM 2332 CG GLN C 25 32.028 -31.663 3.532 1.00 18.78 C ATOM 2333 CD GLN C 25 30.871 -31.685 2.557 1.00 19.64 C ATOM 2334 OE1 GLN C 25 31.024 -32.055 1.390 1.00 19.00 O ATOM 2335 NE2 GLN C 25 29.702 -31.254 3.026 1.00 17.33 N ATOM 2336 HE22 GLN C 25 29.619 -30.952 4.018 1.00 0.00 H ATOM 2337 HE21 GLN C 25 28.872 -31.220 2.401 1.00 0.00 H ATOM 2338 H GLN C 25 33.593 -29.240 3.062 1.00 0.00 H ATOM 2339 N GLN C 26 36.282 -30.967 2.046 1.00 19.25 N ATOM 2340 CA GLN C 26 37.532 -31.370 1.418 1.00 19.11 C ATOM 2341 C GLN C 26 38.744 -30.898 2.218 1.00 19.36 C ATOM 2342 O GLN C 26 39.775 -31.564 2.238 1.00 19.58 O ATOM 2343 CB GLN C 26 37.618 -30.827 -0.015 1.00 21.75 C ATOM 2344 CG GLN C 26 36.490 -31.281 -0.946 1.00 26.97 C ATOM 2345 CD GLN C 26 36.891 -32.434 -1.848 1.00 28.66 C ATOM 2346 OE1 GLN C 26 37.824 -33.173 -1.550 1.00 34.85 O ATOM 2347 NE2 GLN C 26 36.188 -32.587 -2.967 1.00 30.42 N ATOM 2348 HE22 GLN C 26 35.404 -31.938 -3.182 1.00 0.00 H ATOM 2349 HE21 GLN C 26 36.422 -33.356 -3.627 1.00 0.00 H ATOM 2350 H GLN C 26 35.712 -30.212 1.614 1.00 0.00 H ATOM 2351 N LEU C 27 38.640 -29.742 2.864 1.00 19.00 N ATOM 2352 CA LEU C 27 39.769 -29.265 3.671 1.00 19.07 C ATOM 2353 C LEU C 27 39.915 -30.091 4.954 1.00 19.87 C ATOM 2354 O LEU C 27 41.026 -30.319 5.431 1.00 20.14 O ATOM 2355 CB LEU C 27 39.606 -27.783 4.013 1.00 20.64 C ATOM 2356 CG LEU C 27 39.968 -26.826 2.878 1.00 20.05 C ATOM 2357 CD1 LEU C 27 39.517 -25.414 3.196 1.00 22.31 C ATOM 2358 CD2 LEU C 27 41.470 -26.878 2.588 1.00 22.00 C ATOM 2359 H LEU C 27 37.767 -29.181 2.798 1.00 0.00 H ATOM 2360 N ALA C 28 38.790 -30.529 5.508 1.00 19.87 N ATOM 2361 CA ALA C 28 38.817 -31.434 6.659 1.00 20.63 C ATOM 2362 C ALA C 28 39.529 -32.723 6.288 1.00 20.28 C ATOM 2363 O ALA C 28 40.360 -33.229 7.043 1.00 19.15 O ATOM 2364 CB ALA C 28 37.393 -31.720 7.160 1.00 20.03 C ATOM 2365 H ALA C 28 37.875 -30.224 5.118 1.00 0.00 H ATOM 2366 N GLN C 29 39.216 -33.255 5.113 1.00 22.39 N ATOM 2367 CA GLN C 29 39.828 -34.514 4.699 1.00 21.43 C ATOM 2368 C GLN C 29 41.326 -34.320 4.456 1.00 26.28 C ATOM 2369 O GLN C 29 42.143 -35.152 4.857 1.00 24.65 O ATOM 2370 CB GLN C 29 39.129 -35.075 3.452 1.00 24.33 C ATOM 2371 CG GLN C 29 37.659 -35.458 3.696 1.00 28.62 C ATOM 2372 CD GLN C 29 36.937 -35.985 2.458 1.00 33.56 C ATOM 2373 OE1 GLN C 29 37.214 -35.571 1.330 1.00 31.53 O ATOM 2374 NE2 GLN C 29 35.990 -36.893 2.672 1.00 27.65 N ATOM 2375 HE22 GLN C 29 35.788 -37.215 3.640 1.00 0.00 H ATOM 2376 HE21 GLN C 29 35.451 -37.281 1.872 1.00 0.00 H ATOM 2377 H GLN C 29 38.536 -32.776 4.489 1.00 0.00 H ATOM 2378 N ALA C 30 41.689 -33.198 3.842 1.00 21.40 N ATOM 2379 CA ALA C 30 43.074 -32.957 3.453 1.00 20.29 C ATOM 2380 C ALA C 30 43.986 -32.715 4.650 1.00 23.79 C ATOM 2381 O ALA C 30 45.153 -33.105 4.632 1.00 25.88 O ATOM 2382 CB ALA C 30 43.155 -31.760 2.472 1.00 23.65 C ATOM 2383 H ALA C 30 40.970 -32.476 3.634 1.00 0.00 H ATOM 2384 N THR C 31 43.455 -32.080 5.690 1.00 21.74 N ATOM 2385 CA THR C 31 44.255 -31.728 6.869 1.00 25.45 C ATOM 2386 C THR C 31 44.041 -32.653 8.063 1.00 27.94 C ATOM 2387 O THR C 31 44.767 -32.575 9.059 1.00 28.28 O ATOM 2388 CB THR C 31 43.943 -30.302 7.341 1.00 18.97 C ATOM 2389 OG1 THR C 31 42.565 -30.237 7.738 1.00 23.84 O ATOM 2390 CG2 THR C 31 44.189 -29.315 6.217 1.00 24.54 C ATOM 2391 HG1 THR C 31 41.989 -30.469 6.967 1.00 0.00 H ATOM 2392 H THR C 31 42.447 -31.826 5.668 1.00 0.00 H ATOM 2393 N GLY C 32 43.025 -33.503 7.991 1.00 25.37 N ATOM 2394 CA GLY C 32 42.696 -34.358 9.116 1.00 26.46 C ATOM 2395 C GLY C 32 42.114 -33.624 10.315 1.00 29.67 C ATOM 2396 O GLY C 32 41.968 -34.204 11.386 1.00 31.60 O ATOM 2397 H GLY C 32 42.459 -33.557 7.120 1.00 0.00 H ATOM 2398 N LYS C 33 41.787 -32.346 10.147 1.00 26.81 N ATOM 2399 CA LYS C 33 41.164 -31.574 11.222 1.00 23.63 C ATOM 2400 C LYS C 33 39.639 -31.707 11.172 1.00 23.17 C ATOM 2401 O LYS C 33 39.081 -31.993 10.110 1.00 24.96 O ATOM 2402 CB LYS C 33 41.576 -30.105 11.121 1.00 24.08 C ATOM 2403 CG LYS C 33 43.046 -29.856 11.378 1.00 29.60 C ATOM 2404 CD LYS C 33 43.393 -30.054 12.854 1.00 31.24 C ATOM 2405 CE LYS C 33 44.883 -29.886 13.092 1.00 32.32 C ATOM 2406 NZ LYS C 33 45.218 -30.011 14.536 1.00 33.56 N ATOM 2407 HZ1 LYS C 33 44.712 -29.278 15.073 1.00 0.00 H ATOM 2408 HZ2 LYS C 33 44.932 -30.951 14.877 1.00 0.00 H ATOM 2409 HZ3 LYS C 33 46.243 -29.891 14.664 1.00 0.00 H ATOM 2410 H LYS C 33 41.978 -31.887 9.234 1.00 0.00 H ATOM 2411 N PRO C 34 38.955 -31.501 12.314 1.00 24.96 N ATOM 2412 CA PRO C 34 37.492 -31.609 12.347 1.00 27.06 C ATOM 2413 C PRO C 34 36.830 -30.494 11.551 1.00 25.68 C ATOM 2414 O PRO C 34 37.216 -29.322 11.701 1.00 24.65 O ATOM 2415 CB PRO C 34 37.156 -31.479 13.840 1.00 25.20 C ATOM 2416 CG PRO C 34 38.455 -31.770 14.554 1.00 27.57 C ATOM 2417 CD PRO C 34 39.504 -31.218 13.654 1.00 29.83 C ATOM 2418 N PRO C 35 35.846 -30.844 10.715 1.00 24.76 N ATOM 2419 CA PRO C 35 35.197 -29.817 9.899 1.00 23.02 C ATOM 2420 C PRO C 35 34.528 -28.737 10.733 1.00 22.48 C ATOM 2421 O PRO C 35 34.299 -27.632 10.242 1.00 22.48 O ATOM 2422 CB PRO C 35 34.158 -30.607 9.084 1.00 27.44 C ATOM 2423 CG PRO C 35 34.042 -31.950 9.751 1.00 21.53 C ATOM 2424 CD PRO C 35 35.373 -32.205 10.385 1.00 24.72 C ATOM 2425 N GLN C 36 34.234 -29.045 11.989 1.00 22.69 N ATOM 2426 CA GLN C 36 33.513 -28.107 12.820 1.00 22.72 C ATOM 2427 C GLN C 36 34.367 -26.861 13.111 1.00 24.88 C ATOM 2428 O GLN C 36 33.832 -25.808 13.417 1.00 25.27 O ATOM 2429 CB GLN C 36 33.048 -28.804 14.106 1.00 25.68 C ATOM 2430 CG GLN C 36 32.038 -29.956 13.842 1.00 26.07 C ATOM 2431 CD GLN C 36 32.685 -31.233 13.304 1.00 25.01 C ATOM 2432 OE1 GLN C 36 33.890 -31.430 13.420 1.00 25.66 O ATOM 2433 NE2 GLN C 36 31.874 -32.105 12.711 1.00 33.30 N ATOM 2434 HE22 GLN C 36 30.857 -31.900 12.633 1.00 0.00 H ATOM 2435 HE21 GLN C 36 32.257 -32.992 12.325 1.00 0.00 H ATOM 2436 H GLN C 36 34.523 -29.965 12.378 1.00 0.00 H ATOM 2437 N TYR C 37 35.684 -26.977 12.969 1.00 21.18 N ATOM 2438 CA TYR C 37 36.552 -25.828 13.236 1.00 23.99 C ATOM 2439 C TYR C 37 36.988 -25.079 11.979 1.00 23.72 C ATOM 2440 O TYR C 37 37.621 -24.024 12.066 1.00 22.47 O ATOM 2441 CB TYR C 37 37.771 -26.276 14.030 1.00 26.83 C ATOM 2442 CG TYR C 37 37.403 -26.700 15.430 1.00 26.80 C ATOM 2443 CD1 TYR C 37 37.214 -25.757 16.433 1.00 26.91 C ATOM 2444 CD2 TYR C 37 37.223 -28.040 15.744 1.00 27.59 C ATOM 2445 CE1 TYR C 37 36.871 -26.140 17.716 1.00 31.35 C ATOM 2446 CE2 TYR C 37 36.884 -28.435 17.029 1.00 29.55 C ATOM 2447 CZ TYR C 37 36.707 -27.480 18.007 1.00 29.85 C ATOM 2448 OH TYR C 37 36.370 -27.873 19.280 1.00 30.72 O ATOM 2449 HH TYR C 37 36.281 -27.074 19.858 1.00 0.00 H ATOM 2450 H TYR C 37 36.097 -27.883 12.669 1.00 0.00 H ATOM 2451 N ILE C 38 36.630 -25.606 10.817 1.00 19.54 N ATOM 2452 CA ILE C 38 37.079 -25.024 9.552 1.00 18.70 C ATOM 2453 C ILE C 38 36.208 -23.851 9.114 1.00 19.04 C ATOM 2454 O ILE C 38 34.978 -23.913 9.142 1.00 19.29 O ATOM 2455 CB ILE C 38 37.124 -26.103 8.450 1.00 22.72 C ATOM 2456 CG1 ILE C 38 38.149 -27.166 8.840 1.00 22.10 C ATOM 2457 CG2 ILE C 38 37.425 -25.489 7.070 1.00 20.20 C ATOM 2458 CD1 ILE C 38 38.389 -28.202 7.780 1.00 24.70 C ATOM 2459 H ILE C 38 36.019 -26.448 10.804 1.00 0.00 H ATOM 2460 N ALA C 39 36.860 -22.750 8.738 1.00 19.74 N ATOM 2461 CA ALA C 39 36.137 -21.586 8.242 1.00 19.21 C ATOM 2462 C ALA C 39 36.495 -21.336 6.794 1.00 18.77 C ATOM 2463 O ALA C 39 37.654 -21.456 6.399 1.00 18.70 O ATOM 2464 CB ALA C 39 36.451 -20.348 9.075 1.00 17.19 C ATOM 2465 H ALA C 39 37.898 -22.722 8.800 1.00 0.00 H ATOM 2466 N VAL C 40 35.495 -20.957 6.017 1.00 16.40 N ATOM 2467 CA VAL C 40 35.688 -20.725 4.593 1.00 21.01 C ATOM 2468 C VAL C 40 34.998 -19.434 4.196 1.00 19.48 C ATOM 2469 O VAL C 40 33.932 -19.099 4.721 1.00 20.90 O ATOM 2470 CB VAL C 40 35.159 -21.908 3.758 1.00 18.63 C ATOM 2471 CG1 VAL C 40 36.018 -23.148 4.008 1.00 19.99 C ATOM 2472 CG2 VAL C 40 33.729 -22.204 4.112 1.00 27.13 C ATOM 2473 H VAL C 40 34.551 -20.822 6.432 1.00 0.00 H ATOM 2474 N HIS C 41 35.623 -18.698 3.273 1.00 18.83 N ATOM 2475 CA HIS C 41 35.191 -17.348 2.941 1.00 18.11 C ATOM 2476 C HIS C 41 35.408 -17.163 1.453 1.00 18.51 C ATOM 2477 O HIS C 41 36.528 -17.282 0.969 1.00 18.17 O ATOM 2478 CB HIS C 41 35.981 -16.319 3.761 1.00 19.56 C ATOM 2479 CG HIS C 41 35.559 -14.897 3.550 1.00 18.52 C ATOM 2480 ND1 HIS C 41 36.283 -13.835 4.054 1.00 19.64 N ATOM 2481 CD2 HIS C 41 34.499 -14.349 2.905 1.00 17.92 C ATOM 2482 CE1 HIS C 41 35.692 -12.701 3.727 1.00 21.63 C ATOM 2483 NE2 HIS C 41 34.601 -12.985 3.035 1.00 20.76 N ATOM 2484 H HIS C 41 36.443 -19.102 2.777 1.00 0.00 H ATOM 2485 N VAL C 42 34.324 -16.906 0.734 1.00 17.73 N ATOM 2486 CA VAL C 42 34.387 -16.731 -0.710 1.00 19.00 C ATOM 2487 C VAL C 42 33.887 -15.354 -1.092 1.00 21.46 C ATOM 2488 O VAL C 42 32.790 -14.952 -0.717 1.00 20.76 O ATOM 2489 CB VAL C 42 33.566 -17.809 -1.443 1.00 18.21 C ATOM 2490 CG1 VAL C 42 33.589 -17.573 -2.949 1.00 20.15 C ATOM 2491 CG2 VAL C 42 34.139 -19.158 -1.125 1.00 19.31 C ATOM 2492 H VAL C 42 33.405 -16.827 1.214 1.00 0.00 H ATOM 2493 N VAL C 43 34.711 -14.629 -1.838 1.00 19.09 N ATOM 2494 CA VAL C 43 34.413 -13.250 -2.183 1.00 19.45 C ATOM 2495 C VAL C 43 34.428 -13.090 -3.700 1.00 17.97 C ATOM 2496 O VAL C 43 35.488 -12.956 -4.302 1.00 18.30 O ATOM 2497 CB VAL C 43 35.439 -12.273 -1.552 1.00 19.55 C ATOM 2498 CG1 VAL C 43 34.935 -10.846 -1.637 1.00 21.98 C ATOM 2499 CG2 VAL C 43 35.723 -12.673 -0.099 1.00 19.29 C ATOM 2500 H VAL C 43 35.592 -15.059 -2.184 1.00 0.00 H ATOM 2501 N PRO C 44 33.245 -13.123 -4.325 1.00 17.47 N ATOM 2502 CA PRO C 44 33.172 -13.037 -5.782 1.00 18.58 C ATOM 2503 C PRO C 44 33.051 -11.587 -6.260 1.00 17.83 C ATOM 2504 O PRO C 44 33.059 -10.671 -5.423 1.00 18.73 O ATOM 2505 CB PRO C 44 31.903 -13.833 -6.100 1.00 21.07 C ATOM 2506 CG PRO C 44 31.007 -13.526 -4.934 1.00 23.25 C ATOM 2507 CD PRO C 44 31.911 -13.335 -3.723 1.00 19.71 C ATOM 2508 N ASP C 45 32.986 -11.392 -7.582 1.00 19.50 N ATOM 2509 CA ASP C 45 32.747 -10.085 -8.194 1.00 21.54 C ATOM 2510 C ASP C 45 33.821 -9.038 -7.894 1.00 22.80 C ATOM 2511 O ASP C 45 33.550 -7.831 -7.905 1.00 20.03 O ATOM 2512 CB ASP C 45 31.384 -9.548 -7.765 1.00 19.54 C ATOM 2513 CG ASP C 45 30.240 -10.354 -8.350 1.00 25.64 C ATOM 2514 OD1 ASP C 45 30.073 -10.337 -9.589 1.00 29.08 O ATOM 2515 OD2 ASP C 45 29.523 -11.005 -7.569 1.00 31.05 O ATOM 2516 H ASP C 45 33.112 -12.213 -8.208 1.00 0.00 H ATOM 2517 N GLN C 46 35.041 -9.496 -7.643 1.00 17.62 N ATOM 2518 CA GLN C 46 36.116 -8.589 -7.258 1.00 17.91 C ATOM 2519 C GLN C 46 36.765 -7.909 -8.450 1.00 19.02 C ATOM 2520 O GLN C 46 36.809 -8.457 -9.559 1.00 18.93 O ATOM 2521 CB GLN C 46 37.179 -9.346 -6.456 1.00 17.93 C ATOM 2522 CG GLN C 46 36.690 -9.786 -5.088 1.00 19.53 C ATOM 2523 CD GLN C 46 36.167 -8.608 -4.282 1.00 20.18 C ATOM 2524 OE1 GLN C 46 36.950 -7.804 -3.771 1.00 19.66 O ATOM 2525 NE2 GLN C 46 34.840 -8.482 -4.195 1.00 19.51 N ATOM 2526 HE22 GLN C 46 34.220 -9.187 -4.643 1.00 0.00 H ATOM 2527 HE21 GLN C 46 34.427 -7.679 -3.679 1.00 0.00 H ATOM 2528 H GLN C 46 35.233 -10.515 -7.722 1.00 0.00 H ATOM 2529 N LEU C 47 37.273 -6.707 -8.198 1.00 17.12 N ATOM 2530 CA LEU C 47 38.061 -5.956 -9.164 1.00 19.72 C ATOM 2531 C LEU C 47 39.495 -6.453 -9.080 1.00 18.50 C ATOM 2532 O LEU C 47 40.219 -6.102 -8.144 1.00 19.62 O ATOM 2533 CB LEU C 47 37.974 -4.459 -8.863 1.00 19.94 C ATOM 2534 CG LEU C 47 38.636 -3.437 -9.780 1.00 32.02 C ATOM 2535 CD1 LEU C 47 38.178 -3.633 -11.223 1.00 32.74 C ATOM 2536 CD2 LEU C 47 38.298 -2.030 -9.278 1.00 31.68 C ATOM 2537 H LEU C 47 37.099 -6.282 -7.265 1.00 0.00 H ATOM 2538 N MET C 48 39.892 -7.289 -10.041 1.00 17.82 N ATOM 2539 CA MET C 48 41.180 -7.986 -10.004 1.00 17.99 C ATOM 2540 C MET C 48 41.823 -8.120 -11.368 1.00 20.21 C ATOM 2541 O MET C 48 41.131 -8.154 -12.381 1.00 22.78 O ATOM 2542 CB MET C 48 41.017 -9.406 -9.447 1.00 21.76 C ATOM 2543 CG MET C 48 40.408 -9.511 -8.108 1.00 23.70 C ATOM 2544 SD MET C 48 40.250 -11.277 -7.732 1.00 27.12 S ATOM 2545 CE MET C 48 41.922 -11.824 -7.766 1.00 22.46 C ATOM 2546 H MET C 48 39.260 -7.453 -10.851 1.00 0.00 H ATOM 2547 N ALA C 49 43.146 -8.234 -11.378 1.00 17.58 N ATOM 2548 CA ALA C 49 43.861 -8.650 -12.575 1.00 20.29 C ATOM 2549 C ALA C 49 44.973 -9.617 -12.209 1.00 18.91 C ATOM 2550 O ALA C 49 45.560 -9.540 -11.123 1.00 16.47 O ATOM 2551 CB ALA C 49 44.428 -7.456 -13.319 1.00 18.70 C ATOM 2552 H ALA C 49 43.682 -8.022 -10.512 1.00 0.00 H ATOM 2553 N PHE C 50 45.262 -10.524 -13.137 1.00 21.57 N ATOM 2554 CA PHE C 50 46.346 -11.486 -12.988 1.00 18.45 C ATOM 2555 C PHE C 50 47.144 -11.398 -14.292 1.00 17.55 C ATOM 2556 O PHE C 50 46.611 -11.671 -15.367 1.00 18.60 O ATOM 2557 CB PHE C 50 45.774 -12.891 -12.738 1.00 17.25 C ATOM 2558 CG PHE C 50 46.772 -13.911 -12.266 1.00 20.11 C ATOM 2559 CD1 PHE C 50 47.776 -14.376 -13.105 1.00 20.81 C ATOM 2560 CD2 PHE C 50 46.655 -14.462 -11.000 1.00 22.99 C ATOM 2561 CE1 PHE C 50 48.681 -15.340 -12.659 1.00 25.29 C ATOM 2562 CE2 PHE C 50 47.538 -15.432 -10.562 1.00 18.68 C ATOM 2563 CZ PHE C 50 48.553 -15.863 -11.383 1.00 19.37 C ATOM 2564 H PHE C 50 44.690 -10.548 -14.006 1.00 0.00 H ATOM 2565 N GLY C 51 48.402 -10.971 -14.189 1.00 16.89 N ATOM 2566 CA GLY C 51 49.230 -10.728 -15.357 1.00 18.58 C ATOM 2567 C GLY C 51 48.657 -9.689 -16.310 1.00 25.05 C ATOM 2568 O GLY C 51 48.854 -9.768 -17.531 1.00 22.99 O ATOM 2569 H GLY C 51 48.803 -10.807 -13.244 1.00 0.00 H ATOM 2570 N GLY C 52 47.939 -8.711 -15.766 1.00 20.50 N ATOM 2571 CA GLY C 52 47.403 -7.632 -16.588 1.00 21.09 C ATOM 2572 C GLY C 52 46.159 -8.012 -17.371 1.00 21.20 C ATOM 2573 O GLY C 52 45.674 -7.251 -18.215 1.00 22.80 O ATOM 2574 H GLY C 52 47.757 -8.715 -14.742 1.00 0.00 H ATOM 2575 N SER C 53 45.642 -9.202 -17.083 1.00 17.40 N ATOM 2576 CA SER C 53 44.438 -9.731 -17.720 1.00 19.09 C ATOM 2577 C SER C 53 43.291 -9.849 -16.729 1.00 20.10 C ATOM 2578 O SER C 53 43.496 -10.236 -15.572 1.00 21.78 O ATOM 2579 CB SER C 53 44.729 -11.114 -18.329 1.00 19.65 C ATOM 2580 OG SER C 53 43.528 -11.800 -18.630 1.00 24.14 O ATOM 2581 HG SER C 53 43.743 -12.684 -19.019 1.00 0.00 H ATOM 2582 H SER C 53 46.119 -9.787 -16.367 1.00 0.00 H ATOM 2583 N SER C 54 42.081 -9.554 -17.188 1.00 22.97 N ATOM 2584 CA SER C 54 40.902 -9.660 -16.337 1.00 24.89 C ATOM 2585 C SER C 54 40.145 -10.968 -16.544 1.00 21.09 C ATOM 2586 O SER C 54 38.998 -11.085 -16.122 1.00 23.72 O ATOM 2587 CB SER C 54 39.967 -8.466 -16.579 1.00 29.55 C ATOM 2588 OG SER C 54 39.660 -8.338 -17.953 1.00 36.09 O ATOM 2589 HG SER C 54 39.057 -7.564 -18.085 1.00 0.00 H ATOM 2590 H SER C 54 41.972 -9.241 -18.174 1.00 0.00 H ATOM 2591 N GLU C 55 40.778 -11.948 -17.194 1.00 21.93 N ATOM 2592 CA GLU C 55 40.166 -13.280 -17.324 1.00 21.66 C ATOM 2593 C GLU C 55 39.985 -13.868 -15.916 1.00 23.12 C ATOM 2594 O GLU C 55 40.604 -13.379 -14.962 1.00 20.24 O ATOM 2595 CB GLU C 55 41.014 -14.198 -18.215 1.00 26.32 C ATOM 2596 CG GLU C 55 41.047 -13.779 -19.689 1.00 29.05 C ATOM 2597 CD GLU C 55 39.658 -13.668 -20.292 1.00 30.53 C ATOM 2598 OE1 GLU C 55 39.384 -12.665 -20.986 1.00 30.17 O ATOM 2599 OE2 GLU C 55 38.840 -14.585 -20.073 1.00 29.02 O ATOM 2600 H GLU C 55 41.713 -11.768 -17.613 1.00 0.00 H ATOM 2601 N PRO C 56 39.113 -14.885 -15.764 1.00 23.56 N ATOM 2602 CA PRO C 56 38.892 -15.439 -14.421 1.00 19.20 C ATOM 2603 C PRO C 56 40.187 -15.763 -13.683 1.00 16.81 C ATOM 2604 O PRO C 56 41.083 -16.383 -14.242 1.00 18.78 O ATOM 2605 CB PRO C 56 38.095 -16.719 -14.702 1.00 19.07 C ATOM 2606 CG PRO C 56 37.267 -16.352 -15.896 1.00 25.37 C ATOM 2607 CD PRO C 56 38.205 -15.500 -16.755 1.00 22.22 C ATOM 2608 N CYS C 57 40.281 -15.296 -12.445 1.00 18.82 N ATOM 2609 CA CYS C 57 41.437 -15.560 -11.611 1.00 18.13 C ATOM 2610 C CYS C 57 41.014 -15.611 -10.143 1.00 19.05 C ATOM 2611 O CYS C 57 39.864 -15.304 -9.809 1.00 17.42 O ATOM 2612 CB CYS C 57 42.516 -14.488 -11.814 1.00 18.01 C ATOM 2613 SG CYS C 57 41.968 -12.791 -11.361 1.00 21.60 S ATOM 2614 H CYS C 57 39.502 -14.723 -12.061 1.00 0.00 H ATOM 2615 N ALA C 58 41.945 -16.000 -9.275 1.00 16.88 N ATOM 2616 CA ALA C 58 41.671 -16.013 -7.841 1.00 18.64 C ATOM 2617 C ALA C 58 42.924 -15.813 -7.012 1.00 17.40 C ATOM 2618 O ALA C 58 44.011 -16.248 -7.371 1.00 18.76 O ATOM 2619 CB ALA C 58 40.992 -17.319 -7.426 1.00 20.38 C ATOM 2620 H ALA C 58 42.879 -16.298 -9.622 1.00 0.00 H ATOM 2621 N LEU C 59 42.741 -15.160 -5.875 1.00 16.78 N ATOM 2622 CA LEU C 59 43.804 -14.983 -4.907 1.00 17.41 C ATOM 2623 C LEU C 59 43.286 -15.530 -3.589 1.00 17.64 C ATOM 2624 O LEU C 59 42.238 -15.091 -3.101 1.00 16.59 O ATOM 2625 CB LEU C 59 44.188 -13.503 -4.774 1.00 18.35 C ATOM 2626 CG LEU C 59 44.750 -12.838 -6.033 1.00 18.74 C ATOM 2627 CD1 LEU C 59 44.911 -11.333 -5.785 1.00 21.51 C ATOM 2628 CD2 LEU C 59 46.072 -13.472 -6.432 1.00 18.16 C ATOM 2629 H LEU C 59 41.803 -14.761 -5.670 1.00 0.00 H ATOM 2630 N CYS C 60 44.026 -16.474 -3.016 1.00 15.61 N ATOM 2631 CA CYS C 60 43.549 -17.245 -1.884 1.00 18.82 C ATOM 2632 C CYS C 60 44.546 -17.268 -0.750 1.00 17.77 C ATOM 2633 O CYS C 60 45.731 -17.043 -0.944 1.00 16.72 O ATOM 2634 CB CYS C 60 43.269 -18.700 -2.293 1.00 17.88 C ATOM 2635 SG CYS C 60 42.246 -18.926 -3.776 1.00 19.22 S ATOM 2636 H CYS C 60 44.977 -16.666 -3.391 1.00 0.00 H ATOM 2637 N SER C 61 44.062 -17.615 0.436 1.00 17.21 N ATOM 2638 CA SER C 61 44.940 -17.836 1.574 1.00 18.55 C ATOM 2639 C SER C 61 44.456 -19.048 2.366 1.00 18.12 C ATOM 2640 O SER C 61 43.258 -19.277 2.506 1.00 18.43 O ATOM 2641 CB SER C 61 45.003 -16.605 2.490 1.00 19.19 C ATOM 2642 OG SER C 61 43.730 -16.292 3.025 1.00 19.33 O ATOM 2643 HG SER C 61 43.397 -17.060 3.553 1.00 0.00 H ATOM 2644 H SER C 61 43.035 -17.731 0.554 1.00 0.00 H ATOM 2645 N LEU C 62 45.402 -19.819 2.868 1.00 17.43 N ATOM 2646 CA LEU C 62 45.091 -20.889 3.805 1.00 18.52 C ATOM 2647 C LEU C 62 45.921 -20.668 5.060 1.00 20.46 C ATOM 2648 O LEU C 62 47.149 -20.712 5.003 1.00 20.56 O ATOM 2649 CB LEU C 62 45.388 -22.272 3.206 1.00 19.02 C ATOM 2650 CG LEU C 62 44.981 -23.463 4.084 1.00 18.78 C ATOM 2651 CD1 LEU C 62 43.473 -23.660 4.052 1.00 20.96 C ATOM 2652 CD2 LEU C 62 45.705 -24.731 3.629 1.00 19.88 C ATOM 2653 H LEU C 62 46.391 -19.659 2.588 1.00 0.00 H ATOM 2654 N HIS C 63 45.246 -20.400 6.176 1.00 19.38 N ATOM 2655 CA HIS C 63 45.902 -20.299 7.475 1.00 17.53 C ATOM 2656 C HIS C 63 45.638 -21.582 8.254 1.00 20.10 C ATOM 2657 O HIS C 63 44.492 -22.025 8.337 1.00 20.09 O ATOM 2658 CB HIS C 63 45.388 -19.113 8.293 1.00 17.62 C ATOM 2659 CG HIS C 63 45.703 -17.769 7.709 1.00 19.22 C ATOM 2660 ND1 HIS C 63 45.027 -17.250 6.626 1.00 22.10 N ATOM 2661 CD2 HIS C 63 46.607 -16.830 8.076 1.00 23.32 C ATOM 2662 CE1 HIS C 63 45.503 -16.047 6.349 1.00 23.21 C ATOM 2663 NE2 HIS C 63 46.466 -15.772 7.210 1.00 21.71 N ATOM 2664 H HIS C 63 44.217 -20.258 6.120 1.00 0.00 H ATOM 2665 N SER C 64 46.686 -22.160 8.832 1.00 19.83 N ATOM 2666 CA SER C 64 46.531 -23.352 9.665 1.00 19.46 C ATOM 2667 C SER C 64 47.538 -23.313 10.819 1.00 24.71 C ATOM 2668 O SER C 64 48.597 -22.704 10.700 1.00 21.29 O ATOM 2669 CB SER C 64 46.708 -24.614 8.817 1.00 23.96 C ATOM 2670 OG SER C 64 46.360 -25.786 9.540 1.00 22.74 O ATOM 2671 HG SER C 64 45.413 -25.730 9.822 1.00 0.00 H ATOM 2672 H SER C 64 47.634 -21.757 8.689 1.00 0.00 H ATOM 2673 N ILE C 65 47.187 -23.926 11.943 1.00 20.86 N ATOM 2674 CA ILE C 65 48.139 -24.123 13.032 1.00 20.04 C ATOM 2675 C ILE C 65 48.776 -25.480 12.791 1.00 24.14 C ATOM 2676 O ILE C 65 48.169 -26.505 13.082 1.00 25.04 O ATOM 2677 CB ILE C 65 47.466 -24.068 14.427 1.00 22.27 C ATOM 2678 CG1 ILE C 65 46.898 -22.677 14.694 1.00 24.65 C ATOM 2679 CG2 ILE C 65 48.461 -24.451 15.525 1.00 23.18 C ATOM 2680 CD1 ILE C 65 45.797 -22.648 15.765 1.00 23.48 C ATOM 2681 H ILE C 65 46.213 -24.273 12.050 1.00 0.00 H ATOM 2682 N GLY C 66 49.978 -25.482 12.219 1.00 24.04 N ATOM 2683 CA GLY C 66 50.607 -26.710 11.750 1.00 23.77 C ATOM 2684 C GLY C 66 49.985 -27.219 10.453 1.00 28.15 C ATOM 2685 O GLY C 66 49.176 -26.520 9.850 1.00 22.41 O ATOM 2686 H GLY C 66 50.483 -24.580 12.103 1.00 0.00 H ATOM 2687 N LYS C 67 50.364 -28.425 10.025 1.00 23.82 N ATOM 2688 CA LYS C 67 49.873 -29.022 8.766 1.00 26.79 C ATOM 2689 C LYS C 67 50.272 -28.191 7.533 1.00 25.81 C ATOM 2690 O LYS C 67 49.655 -28.300 6.470 1.00 25.27 O ATOM 2691 CB LYS C 67 48.347 -29.201 8.789 1.00 29.96 C ATOM 2692 CG LYS C 67 47.803 -30.036 9.953 1.00 32.85 C ATOM 2693 CD LYS C 67 48.501 -31.397 10.034 1.00 33.80 C ATOM 2694 CE LYS C 67 47.922 -32.263 11.143 1.00 41.69 C ATOM 2695 NZ LYS C 67 46.565 -32.786 10.814 1.00 39.53 N ATOM 2696 HZ1 LYS C 67 45.916 -31.989 10.659 1.00 0.00 H ATOM 2697 HZ2 LYS C 67 46.618 -33.364 9.951 1.00 0.00 H ATOM 2698 HZ3 LYS C 67 46.219 -33.369 11.603 1.00 0.00 H ATOM 2699 H LYS C 67 51.035 -28.969 10.604 1.00 0.00 H ATOM 2700 N ILE C 68 51.307 -27.373 7.683 1.00 18.80 N ATOM 2701 CA ILE C 68 51.800 -26.526 6.596 1.00 22.75 C ATOM 2702 C ILE C 68 53.235 -26.945 6.267 1.00 23.63 C ATOM 2703 O ILE C 68 54.064 -27.056 7.165 1.00 27.20 O ATOM 2704 CB ILE C 68 51.767 -25.013 6.974 1.00 21.04 C ATOM 2705 CG1 ILE C 68 50.329 -24.498 7.093 1.00 24.29 C ATOM 2706 CG2 ILE C 68 52.576 -24.165 5.963 1.00 22.23 C ATOM 2707 CD1 ILE C 68 49.548 -24.524 5.784 1.00 24.50 C ATOM 2708 H ILE C 68 51.785 -27.333 8.606 1.00 0.00 H ATOM 2709 N GLY C 69 53.528 -27.201 4.997 1.00 23.72 N ATOM 2710 CA GLY C 69 54.886 -27.555 4.623 1.00 23.69 C ATOM 2711 C GLY C 69 55.036 -27.841 3.148 1.00 25.44 C ATOM 2712 O GLY C 69 54.065 -27.773 2.403 1.00 23.93 O ATOM 2713 H GLY C 69 52.785 -27.148 4.271 1.00 0.00 H ATOM 2714 N GLY C 70 56.259 -28.164 2.731 1.00 24.67 N ATOM 2715 CA GLY C 70 56.568 -28.370 1.328 1.00 28.59 C ATOM 2716 C GLY C 70 55.609 -29.277 0.583 1.00 26.24 C ATOM 2717 O GLY C 70 54.946 -28.860 -0.373 1.00 24.03 O ATOM 2718 H GLY C 70 57.018 -28.272 3.434 1.00 0.00 H ATOM 2719 N ALA C 71 55.525 -30.527 1.026 1.00 29.93 N ATOM 2720 CA ALA C 71 54.704 -31.518 0.341 1.00 28.86 C ATOM 2721 C ALA C 71 53.229 -31.278 0.600 1.00 24.39 C ATOM 2722 O ALA C 71 52.394 -31.419 -0.298 1.00 25.31 O ATOM 2723 CB ALA C 71 55.100 -32.934 0.781 1.00 32.71 C ATOM 2724 H ALA C 71 56.055 -30.803 1.877 1.00 0.00 H ATOM 2725 N GLN C 72 52.904 -30.921 1.835 1.00 22.46 N ATOM 2726 CA GLN C 72 51.516 -30.661 2.183 1.00 23.89 C ATOM 2727 C GLN C 72 50.961 -29.523 1.330 1.00 21.60 C ATOM 2728 O GLN C 72 49.841 -29.603 0.818 1.00 20.34 O ATOM 2729 CB GLN C 72 51.388 -30.344 3.676 1.00 23.86 C ATOM 2730 CG GLN C 72 51.562 -31.578 4.561 1.00 28.55 C ATOM 2731 CD GLN C 72 51.688 -31.239 6.035 1.00 32.34 C ATOM 2732 OE1 GLN C 72 50.824 -31.592 6.845 1.00 32.10 O ATOM 2733 NE2 GLN C 72 52.777 -30.566 6.396 1.00 27.69 N ATOM 2734 HE22 GLN C 72 53.478 -30.289 5.680 1.00 0.00 H ATOM 2735 HE21 GLN C 72 52.927 -30.317 7.394 1.00 0.00 H ATOM 2736 H GLN C 72 53.645 -30.826 2.558 1.00 0.00 H ATOM 2737 N ASN C 73 51.755 -28.472 1.161 1.00 22.00 N ATOM 2738 CA ASN C 73 51.290 -27.320 0.403 1.00 21.35 C ATOM 2739 C ASN C 73 51.070 -27.652 -1.076 1.00 23.50 C ATOM 2740 O ASN C 73 50.136 -27.148 -1.685 1.00 19.78 O ATOM 2741 CB ASN C 73 52.264 -26.152 0.570 1.00 21.21 C ATOM 2742 CG ASN C 73 52.247 -25.579 1.979 1.00 24.11 C ATOM 2743 OD1 ASN C 73 51.480 -26.025 2.834 1.00 20.61 O ATOM 2744 ND2 ASN C 73 53.115 -24.605 2.235 1.00 20.65 N ATOM 2745 HD22 ASN C 73 53.744 -24.258 1.483 1.00 0.00 H ATOM 2746 HD21 ASN C 73 53.165 -24.190 3.187 1.00 0.00 H ATOM 2747 H ASN C 73 52.711 -28.472 1.571 1.00 0.00 H ATOM 2748 N ARG C 74 51.901 -28.527 -1.640 1.00 20.20 N ATOM 2749 CA ARG C 74 51.694 -28.974 -3.012 1.00 22.34 C ATOM 2750 C ARG C 74 50.388 -29.742 -3.122 1.00 24.24 C ATOM 2751 O ARG C 74 49.609 -29.527 -4.052 1.00 24.62 O ATOM 2752 CB ARG C 74 52.864 -29.837 -3.488 1.00 25.38 C ATOM 2753 CG ARG C 74 54.046 -29.035 -4.026 1.00 28.94 C ATOM 2754 CD ARG C 74 55.076 -29.951 -4.685 1.00 36.13 C ATOM 2755 NE ARG C 74 55.769 -30.759 -3.691 1.00 32.73 N ATOM 2756 CZ ARG C 74 56.860 -30.363 -3.047 1.00 41.62 C ATOM 2757 NH1 ARG C 74 57.386 -29.172 -3.310 1.00 38.99 N ATOM 2758 NH2 ARG C 74 57.428 -31.154 -2.146 1.00 40.14 N ATOM 2759 HE ARG C 74 55.387 -31.701 -3.473 1.00 0.00 H ATOM 2760 HH12 ARG C 74 58.241 -28.859 -2.807 1.00 0.00 H ATOM 2761 HH11 ARG C 74 56.943 -28.553 -4.019 1.00 0.00 H ATOM 2762 HH22 ARG C 74 58.283 -30.840 -1.644 1.00 0.00 H ATOM 2763 HH21 ARG C 74 57.019 -32.088 -1.942 1.00 0.00 H ATOM 2764 H ARG C 74 52.707 -28.895 -1.095 1.00 0.00 H ATOM 2765 N SER C 75 50.144 -30.622 -2.152 1.00 23.28 N ATOM 2766 CA SER C 75 48.890 -31.374 -2.117 1.00 25.46 C ATOM 2767 C SER C 75 47.666 -30.454 -1.988 1.00 19.91 C ATOM 2768 O SER C 75 46.667 -30.650 -2.680 1.00 21.94 O ATOM 2769 CB SER C 75 48.916 -32.396 -0.969 1.00 24.20 C ATOM 2770 OG SER C 75 47.851 -33.317 -1.112 1.00 32.52 O ATOM 2771 HG SER C 75 47.943 -33.794 -1.974 1.00 0.00 H ATOM 2772 H SER C 75 50.855 -30.776 -1.409 1.00 0.00 H ATOM 2773 N TYR C 76 47.746 -29.444 -1.123 1.00 21.15 N ATOM 2774 CA TYR C 76 46.650 -28.481 -0.972 1.00 19.62 C ATOM 2775 C TYR C 76 46.425 -27.705 -2.266 1.00 17.97 C ATOM 2776 O TYR C 76 45.290 -27.406 -2.633 1.00 19.97 O ATOM 2777 CB TYR C 76 46.915 -27.479 0.160 1.00 19.56 C ATOM 2778 CG TYR C 76 47.098 -28.080 1.528 1.00 22.68 C ATOM 2779 CD1 TYR C 76 46.487 -29.287 1.866 1.00 29.68 C ATOM 2780 CD2 TYR C 76 47.893 -27.454 2.480 1.00 20.20 C ATOM 2781 CE1 TYR C 76 46.661 -29.852 3.112 1.00 28.46 C ATOM 2782 CE2 TYR C 76 48.071 -28.005 3.747 1.00 24.31 C ATOM 2783 CZ TYR C 76 47.449 -29.211 4.053 1.00 26.19 C ATOM 2784 OH TYR C 76 47.620 -29.777 5.297 1.00 25.29 O ATOM 2785 HH TYR C 76 47.112 -30.625 5.345 1.00 0.00 H ATOM 2786 H TYR C 76 48.603 -29.336 -0.543 1.00 0.00 H ATOM 2787 N SER C 77 47.514 -27.365 -2.948 1.00 21.24 N ATOM 2788 CA SER C 77 47.402 -26.578 -4.168 1.00 17.78 C ATOM 2789 C SER C 77 46.735 -27.373 -5.275 1.00 21.40 C ATOM 2790 O SER C 77 45.896 -26.849 -6.004 1.00 18.72 O ATOM 2791 CB SER C 77 48.777 -26.078 -4.610 1.00 22.19 C ATOM 2792 OG SER C 77 49.276 -25.198 -3.616 1.00 20.04 O ATOM 2793 HG SER C 77 49.352 -25.683 -2.756 1.00 0.00 H ATOM 2794 H SER C 77 48.451 -27.663 -2.609 1.00 0.00 H ATOM 2795 N LYS C 78 47.085 -28.651 -5.383 1.00 22.34 N ATOM 2796 CA LYS C 78 46.442 -29.509 -6.365 1.00 19.94 C ATOM 2797 C LYS C 78 44.942 -29.615 -6.084 1.00 20.88 C ATOM 2798 O LYS C 78 44.117 -29.517 -6.988 1.00 20.98 O ATOM 2799 CB LYS C 78 47.096 -30.899 -6.363 1.00 22.85 C ATOM 2800 CG LYS C 78 46.438 -31.881 -7.320 1.00 26.66 C ATOM 2801 CD LYS C 78 47.135 -33.234 -7.259 1.00 32.73 C ATOM 2802 CE LYS C 78 46.469 -34.242 -8.192 1.00 45.54 C ATOM 2803 NZ LYS C 78 47.062 -35.599 -8.026 1.00 46.20 N ATOM 2804 HZ1 LYS C 78 48.078 -35.561 -8.246 1.00 0.00 H ATOM 2805 HZ2 LYS C 78 46.930 -35.916 -7.044 1.00 0.00 H ATOM 2806 HZ3 LYS C 78 46.590 -36.264 -8.672 1.00 0.00 H ATOM 2807 H LYS C 78 47.823 -29.039 -4.761 1.00 0.00 H ATOM 2808 N LEU C 79 44.597 -29.811 -4.814 1.00 18.10 N ATOM 2809 CA LEU C 79 43.204 -29.923 -4.401 1.00 20.11 C ATOM 2810 C LEU C 79 42.434 -28.647 -4.697 1.00 20.70 C ATOM 2811 O LEU C 79 41.370 -28.660 -5.307 1.00 20.88 O ATOM 2812 CB LEU C 79 43.114 -30.233 -2.898 1.00 20.74 C ATOM 2813 CG LEU C 79 41.717 -30.188 -2.277 1.00 20.96 C ATOM 2814 CD1 LEU C 79 40.824 -31.283 -2.859 1.00 27.50 C ATOM 2815 CD2 LEU C 79 41.805 -30.324 -0.758 1.00 24.95 C ATOM 2816 H LEU C 79 45.344 -29.887 -4.094 1.00 0.00 H ATOM 2817 N LEU C 80 42.984 -27.535 -4.238 1.00 21.02 N ATOM 2818 CA LEU C 80 42.251 -26.279 -4.267 1.00 20.07 C ATOM 2819 C LEU C 80 42.179 -25.692 -5.676 1.00 17.06 C ATOM 2820 O LEU C 80 41.148 -25.167 -6.071 1.00 17.65 O ATOM 2821 CB LEU C 80 42.887 -25.290 -3.292 1.00 20.07 C ATOM 2822 CG LEU C 80 42.715 -25.711 -1.821 1.00 17.89 C ATOM 2823 CD1 LEU C 80 43.641 -24.925 -0.879 1.00 17.84 C ATOM 2824 CD2 LEU C 80 41.249 -25.555 -1.388 1.00 19.16 C ATOM 2825 H LEU C 80 43.950 -27.559 -3.853 1.00 0.00 H ATOM 2826 N CYS C 81 43.258 -25.793 -6.443 1.00 18.43 N ATOM 2827 CA CYS C 81 43.185 -25.376 -7.849 1.00 16.58 C ATOM 2828 C CYS C 81 42.215 -26.257 -8.621 1.00 20.38 C ATOM 2829 O CYS C 81 41.511 -25.802 -9.528 1.00 21.84 O ATOM 2830 CB CYS C 81 44.564 -25.427 -8.500 1.00 19.29 C ATOM 2831 SG CYS C 81 45.717 -24.119 -7.984 1.00 22.13 S ATOM 2832 H CYS C 81 44.147 -26.164 -6.051 1.00 0.00 H ATOM 2833 N GLY C 82 42.189 -27.535 -8.258 1.00 22.13 N ATOM 2834 CA GLY C 82 41.286 -28.472 -8.891 1.00 20.94 C ATOM 2835 C GLY C 82 39.860 -28.037 -8.669 1.00 21.29 C ATOM 2836 O GLY C 82 39.069 -28.033 -9.604 1.00 21.81 O ATOM 2837 H GLY C 82 42.828 -27.867 -7.507 1.00 0.00 H ATOM 2838 N LEU C 83 39.539 -27.651 -7.433 1.00 20.80 N ATOM 2839 CA LEU C 83 38.189 -27.219 -7.084 1.00 21.55 C ATOM 2840 C LEU C 83 37.829 -25.901 -7.754 1.00 20.31 C ATOM 2841 O LEU C 83 36.722 -25.732 -8.254 1.00 20.98 O ATOM 2842 CB LEU C 83 38.043 -27.094 -5.564 1.00 21.32 C ATOM 2843 CG LEU C 83 37.992 -28.438 -4.835 1.00 25.78 C ATOM 2844 CD1 LEU C 83 38.249 -28.286 -3.340 1.00 29.03 C ATOM 2845 CD2 LEU C 83 36.641 -29.090 -5.106 1.00 26.24 C ATOM 2846 H LEU C 83 40.273 -27.658 -6.696 1.00 0.00 H ATOM 2847 N LEU C 84 38.774 -24.969 -7.779 1.00 21.08 N ATOM 2848 CA LEU C 84 38.513 -23.692 -8.422 1.00 17.76 C ATOM 2849 C LEU C 84 38.284 -23.870 -9.930 1.00 21.00 C ATOM 2850 O LEU C 84 37.447 -23.188 -10.519 1.00 20.33 O ATOM 2851 CB LEU C 84 39.664 -22.719 -8.134 1.00 17.52 C ATOM 2852 CG LEU C 84 39.755 -22.302 -6.652 1.00 19.40 C ATOM 2853 CD1 LEU C 84 40.981 -21.421 -6.406 1.00 23.66 C ATOM 2854 CD2 LEU C 84 38.493 -21.587 -6.204 1.00 21.08 C ATOM 2855 H LEU C 84 39.699 -25.152 -7.340 1.00 0.00 H ATOM 2856 N ALA C 85 39.015 -24.795 -10.545 1.00 20.14 N ATOM 2857 CA ALA C 85 38.843 -25.072 -11.975 1.00 22.15 C ATOM 2858 C ALA C 85 37.514 -25.753 -12.252 1.00 23.35 C ATOM 2859 O ALA C 85 36.779 -25.350 -13.143 1.00 21.92 O ATOM 2860 CB ALA C 85 39.984 -25.933 -12.497 1.00 19.21 C ATOM 2861 H ALA C 85 39.721 -25.332 -10.002 1.00 0.00 H ATOM 2862 N GLU C 86 37.203 -26.791 -11.485 1.00 23.20 N ATOM 2863 CA GLU C 86 36.017 -27.587 -11.776 1.00 27.91 C ATOM 2864 C GLU C 86 34.727 -26.852 -11.399 1.00 24.96 C ATOM 2865 O GLU C 86 33.714 -26.964 -12.091 1.00 25.78 O ATOM 2866 CB GLU C 86 36.108 -28.935 -11.053 1.00 27.76 C ATOM 2867 CG GLU C 86 37.314 -29.769 -11.488 1.00 31.60 C ATOM 2868 CD GLU C 86 37.613 -30.927 -10.543 1.00 48.91 C ATOM 2869 OE1 GLU C 86 36.709 -31.755 -10.301 1.00 42.70 O ATOM 2870 OE2 GLU C 86 38.757 -31.010 -10.040 1.00 54.99 O ATOM 2871 H GLU C 86 37.807 -27.037 -10.675 1.00 0.00 H ATOM 2872 N ARG C 87 34.761 -26.084 -10.315 1.00 22.42 N ATOM 2873 CA ARG C 87 33.537 -25.477 -9.811 1.00 17.84 C ATOM 2874 C ARG C 87 33.355 -24.018 -10.211 1.00 22.55 C ATOM 2875 O ARG C 87 32.225 -23.569 -10.393 1.00 23.93 O ATOM 2876 CB ARG C 87 33.478 -25.576 -8.293 1.00 19.30 C ATOM 2877 CG ARG C 87 33.864 -26.944 -7.729 1.00 27.63 C ATOM 2878 CD ARG C 87 32.945 -28.104 -8.120 1.00 26.58 C ATOM 2879 NE ARG C 87 33.416 -29.275 -7.380 1.00 33.42 N ATOM 2880 CZ ARG C 87 33.673 -30.478 -7.887 1.00 32.51 C ATOM 2881 NH1 ARG C 87 33.466 -30.736 -9.171 1.00 36.53 N ATOM 2882 NH2 ARG C 87 34.140 -31.434 -7.087 1.00 24.35 N ATOM 2883 HE ARG C 87 33.564 -29.155 -6.358 1.00 0.00 H ATOM 2884 HH12 ARG C 87 33.672 -31.682 -9.551 1.00 0.00 H ATOM 2885 HH11 ARG C 87 33.097 -29.993 -9.798 1.00 0.00 H ATOM 2886 HH22 ARG C 87 34.345 -32.379 -7.470 1.00 0.00 H ATOM 2887 HH21 ARG C 87 34.300 -31.236 -6.079 1.00 0.00 H ATOM 2888 H ARG C 87 35.663 -25.916 -9.826 1.00 0.00 H ATOM 2889 N LEU C 88 34.455 -23.274 -10.322 1.00 22.48 N ATOM 2890 CA LEU C 88 34.367 -21.863 -10.695 1.00 18.15 C ATOM 2891 C LEU C 88 34.907 -21.573 -12.097 1.00 21.81 C ATOM 2892 O LEU C 88 34.872 -20.426 -12.537 1.00 24.30 O ATOM 2893 CB LEU C 88 35.118 -20.980 -9.681 1.00 23.18 C ATOM 2894 CG LEU C 88 34.641 -21.006 -8.226 1.00 25.53 C ATOM 2895 CD1 LEU C 88 35.302 -19.876 -7.428 1.00 24.15 C ATOM 2896 CD2 LEU C 88 33.135 -20.919 -8.137 1.00 28.09 C ATOM 2897 H LEU C 88 35.386 -23.701 -10.141 1.00 0.00 H ATOM 2898 N ARG C 89 35.440 -22.593 -12.765 1.00 21.14 N ATOM 2899 CA ARG C 89 35.982 -22.433 -14.125 1.00 23.93 C ATOM 2900 C ARG C 89 37.145 -21.430 -14.191 1.00 25.88 C ATOM 2901 O ARG C 89 37.277 -20.675 -15.153 1.00 24.50 O ATOM 2902 CB ARG C 89 34.875 -22.012 -15.092 1.00 25.76 C ATOM 2903 CG ARG C 89 33.679 -22.955 -15.111 1.00 33.82 C ATOM 2904 CD ARG C 89 32.590 -22.427 -16.035 1.00 47.79 C ATOM 2905 NE ARG C 89 33.136 -22.008 -17.325 1.00 57.42 N ATOM 2906 CZ ARG C 89 32.430 -21.421 -18.286 1.00 62.97 C ATOM 2907 NH1 ARG C 89 31.136 -21.181 -18.111 1.00 65.98 N ATOM 2908 NH2 ARG C 89 33.018 -21.076 -19.425 1.00 67.07 N ATOM 2909 HE ARG C 89 34.146 -22.181 -17.503 1.00 0.00 H ATOM 2910 HH12 ARG C 89 30.586 -20.722 -18.865 1.00 0.00 H ATOM 2911 HH11 ARG C 89 30.673 -21.452 -17.220 1.00 0.00 H ATOM 2912 HH22 ARG C 89 32.466 -20.617 -20.177 1.00 0.00 H ATOM 2913 HH21 ARG C 89 34.031 -21.265 -19.565 1.00 0.00 H ATOM 2914 H ARG C 89 35.475 -23.529 -12.314 1.00 0.00 H ATOM 2915 N ILE C 90 37.981 -21.431 -13.161 1.00 17.96 N ATOM 2916 CA ILE C 90 39.201 -20.630 -13.145 1.00 22.35 C ATOM 2917 C ILE C 90 40.398 -21.505 -13.464 1.00 25.67 C ATOM 2918 O ILE C 90 40.604 -22.523 -12.809 1.00 23.38 O ATOM 2919 CB ILE C 90 39.421 -19.971 -11.767 1.00 21.70 C ATOM 2920 CG1 ILE C 90 38.206 -19.123 -11.395 1.00 18.68 C ATOM 2921 CG2 ILE C 90 40.728 -19.151 -11.763 1.00 19.63 C ATOM 2922 CD1 ILE C 90 38.184 -18.688 -9.920 1.00 21.27 C ATOM 2923 H ILE C 90 37.759 -22.024 -12.336 1.00 0.00 H ATOM 2924 N SER C 91 41.184 -21.116 -14.464 1.00 21.35 N ATOM 2925 CA SER C 91 42.389 -21.858 -14.814 1.00 21.62 C ATOM 2926 C SER C 91 43.401 -21.855 -13.670 1.00 23.64 C ATOM 2927 O SER C 91 43.635 -20.830 -13.039 1.00 22.60 O ATOM 2928 CB SER C 91 43.019 -21.274 -16.076 1.00 22.14 C ATOM 2929 OG SER C 91 42.079 -21.263 -17.132 1.00 22.35 O ATOM 2930 HG SER C 91 41.300 -20.710 -16.873 1.00 0.00 H ATOM 2931 H SER C 91 40.934 -20.265 -15.007 1.00 0.00 H ATOM 2932 N PRO C 92 44.012 -23.013 -13.396 1.00 20.51 N ATOM 2933 CA PRO C 92 44.959 -23.117 -12.286 1.00 18.78 C ATOM 2934 C PRO C 92 46.161 -22.177 -12.402 1.00 21.32 C ATOM 2935 O PRO C 92 46.725 -21.793 -11.379 1.00 20.96 O ATOM 2936 CB PRO C 92 45.410 -24.577 -12.350 1.00 22.47 C ATOM 2937 CG PRO C 92 44.245 -25.291 -12.939 1.00 23.21 C ATOM 2938 CD PRO C 92 43.647 -24.335 -13.940 1.00 26.94 C ATOM 2939 N ASP C 93 46.552 -21.816 -13.619 1.00 19.42 N ATOM 2940 CA ASP C 93 47.684 -20.907 -13.786 1.00 21.21 C ATOM 2941 C ASP C 93 47.282 -19.445 -13.550 1.00 22.60 C ATOM 2942 O ASP C 93 48.100 -18.540 -13.738 1.00 21.32 O ATOM 2943 CB ASP C 93 48.327 -21.078 -15.176 1.00 22.57 C ATOM 2944 CG ASP C 93 47.363 -20.809 -16.326 1.00 26.79 C ATOM 2945 OD1 ASP C 93 46.202 -20.431 -16.085 1.00 25.18 O ATOM 2946 OD2 ASP C 93 47.775 -20.978 -17.495 1.00 32.13 O ATOM 2947 H ASP C 93 46.052 -22.181 -14.455 1.00 0.00 H ATOM 2948 N ARG C 94 46.044 -19.225 -13.102 1.00 17.56 N ATOM 2949 CA ARG C 94 45.580 -17.888 -12.727 1.00 17.91 C ATOM 2950 C ARG C 94 45.075 -17.883 -11.282 1.00 16.02 C ATOM 2951 O ARG C 94 44.147 -17.153 -10.924 1.00 18.24 O ATOM 2952 CB ARG C 94 44.484 -17.412 -13.692 1.00 19.77 C ATOM 2953 CG ARG C 94 45.014 -17.195 -15.109 1.00 21.94 C ATOM 2954 CD ARG C 94 43.961 -16.667 -16.083 1.00 18.51 C ATOM 2955 NE ARG C 94 43.384 -15.386 -15.683 1.00 20.53 N ATOM 2956 CZ ARG C 94 44.014 -14.215 -15.748 1.00 22.81 C ATOM 2957 NH1 ARG C 94 45.261 -14.147 -16.190 1.00 17.53 N ATOM 2958 NH2 ARG C 94 43.391 -13.108 -15.357 1.00 18.02 N ATOM 2959 HE ARG C 94 42.409 -15.389 -15.321 1.00 0.00 H ATOM 2960 HH12 ARG C 94 45.746 -13.228 -16.238 1.00 0.00 H ATOM 2961 HH11 ARG C 94 45.755 -15.012 -16.489 1.00 0.00 H ATOM 2962 HH22 ARG C 94 43.880 -12.191 -15.406 1.00 0.00 H ATOM 2963 HH21 ARG C 94 42.415 -13.158 -15.002 1.00 0.00 H ATOM 2964 H ARG C 94 45.389 -20.028 -13.017 1.00 0.00 H ATOM 2965 N VAL C 95 45.693 -18.730 -10.467 1.00 16.70 N ATOM 2966 CA VAL C 95 45.385 -18.816 -9.047 1.00 17.21 C ATOM 2967 C VAL C 95 46.658 -18.683 -8.228 1.00 18.06 C ATOM 2968 O VAL C 95 47.615 -19.416 -8.467 1.00 17.14 O ATOM 2969 CB VAL C 95 44.725 -20.169 -8.677 1.00 16.68 C ATOM 2970 CG1 VAL C 95 44.526 -20.261 -7.149 1.00 19.73 C ATOM 2971 CG2 VAL C 95 43.422 -20.359 -9.425 1.00 20.44 C ATOM 2972 H VAL C 95 46.425 -19.356 -10.858 1.00 0.00 H ATOM 2973 N TYR C 96 46.680 -17.768 -7.254 1.00 18.06 N ATOM 2974 CA TYR C 96 47.711 -17.807 -6.219 1.00 16.97 C ATOM 2975 C TYR C 96 47.099 -18.207 -4.885 1.00 17.49 C ATOM 2976 O TYR C 96 45.992 -17.769 -4.550 1.00 18.95 O ATOM 2977 CB TYR C 96 48.412 -16.447 -6.056 1.00 17.20 C ATOM 2978 CG TYR C 96 49.354 -16.092 -7.184 1.00 18.37 C ATOM 2979 CD1 TYR C 96 50.180 -17.054 -7.757 1.00 17.41 C ATOM 2980 CD2 TYR C 96 49.417 -14.790 -7.672 1.00 16.98 C ATOM 2981 CE1 TYR C 96 51.043 -16.732 -8.794 1.00 18.62 C ATOM 2982 CE2 TYR C 96 50.283 -14.451 -8.702 1.00 19.04 C ATOM 2983 CZ TYR C 96 51.094 -15.424 -9.256 1.00 19.68 C ATOM 2984 OH TYR C 96 51.949 -15.090 -10.282 1.00 18.98 O ATOM 2985 HH TYR C 96 52.580 -14.394 -9.971 1.00 0.00 H ATOM 2986 H TYR C 96 45.957 -17.021 -7.232 1.00 0.00 H ATOM 2987 N ILE C 97 47.808 -19.040 -4.133 1.00 17.47 N ATOM 2988 CA ILE C 97 47.363 -19.389 -2.781 1.00 14.61 C ATOM 2989 C ILE C 97 48.490 -19.137 -1.814 1.00 18.67 C ATOM 2990 O ILE C 97 49.553 -19.740 -1.930 1.00 20.11 O ATOM 2991 CB ILE C 97 46.944 -20.870 -2.640 1.00 22.05 C ATOM 2992 CG1 ILE C 97 45.892 -21.258 -3.679 1.00 20.54 C ATOM 2993 CG2 ILE C 97 46.464 -21.153 -1.201 1.00 20.24 C ATOM 2994 CD1 ILE C 97 45.849 -22.783 -3.953 1.00 20.56 C ATOM 2995 H ILE C 97 48.688 -19.449 -4.507 1.00 0.00 H ATOM 2996 N ASN C 98 48.268 -18.250 -0.854 1.00 17.18 N ATOM 2997 CA ASN C 98 49.278 -18.016 0.170 1.00 20.80 C ATOM 2998 C ASN C 98 49.035 -18.884 1.393 1.00 17.97 C ATOM 2999 O ASN C 98 47.926 -18.890 1.933 1.00 20.88 O ATOM 3000 CB ASN C 98 49.301 -16.548 0.575 1.00 18.20 C ATOM 3001 CG ASN C 98 49.786 -15.642 -0.538 1.00 22.02 C ATOM 3002 OD1 ASN C 98 50.556 -16.060 -1.404 1.00 22.11 O ATOM 3003 ND2 ASN C 98 49.341 -14.388 -0.517 1.00 23.72 N ATOM 3004 HD22 ASN C 98 48.691 -14.079 0.234 1.00 0.00 H ATOM 3005 HD21 ASN C 98 49.643 -13.717 -1.252 1.00 0.00 H ATOM 3006 H ASN C 98 47.373 -17.721 -0.832 1.00 0.00 H ATOM 3007 N TYR C 99 50.062 -19.627 1.812 1.00 17.54 N ATOM 3008 CA TYR C 99 49.978 -20.498 2.982 1.00 18.96 C ATOM 3009 C TYR C 99 50.654 -19.892 4.199 1.00 21.48 C ATOM 3010 O TYR C 99 51.769 -19.379 4.113 1.00 18.72 O ATOM 3011 CB TYR C 99 50.607 -21.861 2.686 1.00 21.92 C ATOM 3012 CG TYR C 99 49.901 -22.593 1.578 1.00 19.73 C ATOM 3013 CD1 TYR C 99 48.745 -23.315 1.834 1.00 19.30 C ATOM 3014 CD2 TYR C 99 50.377 -22.549 0.266 1.00 19.94 C ATOM 3015 CE1 TYR C 99 48.078 -23.983 0.824 1.00 20.10 C ATOM 3016 CE2 TYR C 99 49.716 -23.219 -0.755 1.00 18.56 C ATOM 3017 CZ TYR C 99 48.567 -23.936 -0.467 1.00 21.79 C ATOM 3018 OH TYR C 99 47.887 -24.589 -1.468 1.00 21.36 O ATOM 3019 HH TYR C 99 48.484 -25.257 -1.889 1.00 0.00 H ATOM 3020 H TYR C 99 50.957 -19.584 1.285 1.00 0.00 H ATOM 3021 N TYR C 100 49.970 -19.982 5.339 1.00 20.67 N ATOM 3022 CA TYR C 100 50.461 -19.425 6.596 1.00 21.08 C ATOM 3023 C TYR C 100 50.401 -20.451 7.713 1.00 20.60 C ATOM 3024 O TYR C 100 49.336 -20.986 7.996 1.00 20.60 O ATOM 3025 CB TYR C 100 49.641 -18.201 6.998 1.00 21.59 C ATOM 3026 CG TYR C 100 49.631 -17.125 5.948 1.00 20.75 C ATOM 3027 CD1 TYR C 100 50.690 -16.231 5.847 1.00 26.04 C ATOM 3028 CD2 TYR C 100 48.579 -17.009 5.046 1.00 21.12 C ATOM 3029 CE1 TYR C 100 50.706 -15.239 4.873 1.00 30.64 C ATOM 3030 CE2 TYR C 100 48.583 -16.029 4.065 1.00 18.37 C ATOM 3031 CZ TYR C 100 49.651 -15.140 3.990 1.00 26.16 C ATOM 3032 OH TYR C 100 49.671 -14.156 3.028 1.00 23.32 O ATOM 3033 HH TYR C 100 48.882 -13.569 3.142 1.00 0.00 H ATOM 3034 H TYR C 100 49.051 -20.468 5.333 1.00 0.00 H ATOM 3035 N ASP C 101 51.548 -20.702 8.343 1.00 19.47 N ATOM 3036 CA ASP C 101 51.643 -21.569 9.519 1.00 19.91 C ATOM 3037 C ASP C 101 51.541 -20.686 10.756 1.00 22.66 C ATOM 3038 O ASP C 101 52.506 -19.999 11.115 1.00 20.55 O ATOM 3039 CB ASP C 101 52.968 -22.358 9.496 1.00 20.83 C ATOM 3040 CG ASP C 101 53.040 -23.453 10.563 1.00 24.90 C ATOM 3041 OD1 ASP C 101 52.134 -23.549 11.414 1.00 23.48 O ATOM 3042 OD2 ASP C 101 54.032 -24.218 10.542 1.00 26.73 O ATOM 3043 H ASP C 101 52.418 -20.261 7.982 1.00 0.00 H ATOM 3044 N MET C 102 50.361 -20.664 11.377 1.00 17.46 N ATOM 3045 CA MET C 102 50.117 -19.825 12.552 1.00 20.66 C ATOM 3046 C MET C 102 50.558 -20.482 13.857 1.00 20.55 C ATOM 3047 O MET C 102 50.347 -21.674 14.074 1.00 24.71 O ATOM 3048 CB MET C 102 48.627 -19.471 12.649 1.00 21.25 C ATOM 3049 CG MET C 102 48.098 -18.725 11.429 1.00 22.31 C ATOM 3050 SD MET C 102 48.851 -17.091 11.229 1.00 24.71 S ATOM 3051 CE MET C 102 48.213 -16.215 12.657 1.00 23.09 C ATOM 3052 H MET C 102 49.590 -21.261 11.016 1.00 0.00 H ATOM 3053 N ASN C 103 51.185 -19.693 14.717 1.00 23.08 N ATOM 3054 CA ASN C 103 51.424 -20.095 16.099 1.00 24.77 C ATOM 3055 C ASN C 103 50.089 -20.077 16.824 1.00 22.69 C ATOM 3056 O ASN C 103 49.320 -19.140 16.648 1.00 22.79 O ATOM 3057 CB ASN C 103 52.420 -19.147 16.772 1.00 28.61 C ATOM 3058 CG ASN C 103 52.885 -19.647 18.131 1.00 35.67 C ATOM 3059 OD1 ASN C 103 52.124 -19.654 19.098 1.00 34.87 O ATOM 3060 ND2 ASN C 103 54.149 -20.057 18.211 1.00 34.16 N ATOM 3061 HD22 ASN C 103 54.758 -20.034 17.368 1.00 0.00 H ATOM 3062 HD21 ASN C 103 54.528 -20.400 19.117 1.00 0.00 H ATOM 3063 H ASN C 103 51.516 -18.760 14.398 1.00 0.00 H ATOM 3064 N ALA C 104 49.806 -21.108 17.618 1.00 24.52 N ATOM 3065 CA ALA C 104 48.535 -21.188 18.344 1.00 25.33 C ATOM 3066 C ALA C 104 48.308 -19.973 19.241 1.00 24.41 C ATOM 3067 O ALA C 104 47.173 -19.571 19.479 1.00 23.68 O ATOM 3068 CB ALA C 104 48.475 -22.486 19.178 1.00 24.00 C ATOM 3069 H ALA C 104 50.502 -21.873 17.725 1.00 0.00 H ATOM 3070 N ALA C 105 49.392 -19.373 19.721 1.00 23.09 N ATOM 3071 CA ALA C 105 49.289 -18.215 20.607 1.00 24.58 C ATOM 3072 C ALA C 105 48.804 -16.972 19.867 1.00 21.61 C ATOM 3073 O ALA C 105 48.326 -16.010 20.481 1.00 22.87 O ATOM 3074 CB ALA C 105 50.634 -17.939 21.279 1.00 25.38 C ATOM 3075 H ALA C 105 50.332 -19.734 19.461 1.00 0.00 H ATOM 3076 N ASN C 106 48.944 -17.003 18.546 1.00 23.47 N ATOM 3077 CA ASN C 106 48.532 -15.900 17.693 1.00 23.61 C ATOM 3078 C ASN C 106 47.196 -16.164 16.999 1.00 24.47 C ATOM 3079 O ASN C 106 46.882 -15.532 15.988 1.00 18.91 O ATOM 3080 CB ASN C 106 49.610 -15.620 16.644 1.00 22.94 C ATOM 3081 CG ASN C 106 50.872 -15.058 17.254 1.00 25.83 C ATOM 3082 OD1 ASN C 106 50.817 -14.339 18.250 1.00 26.90 O ATOM 3083 ND2 ASN C 106 52.016 -15.390 16.670 1.00 26.41 N ATOM 3084 HD22 ASN C 106 52.012 -16.001 15.829 1.00 0.00 H ATOM 3085 HD21 ASN C 106 52.917 -15.039 17.053 1.00 0.00 H ATOM 3086 H ASN C 106 49.364 -17.847 18.106 1.00 0.00 H ATOM 3087 N VAL C 107 46.417 -17.107 17.525 1.00 21.35 N ATOM 3088 CA VAL C 107 45.059 -17.294 17.013 1.00 16.91 C ATOM 3089 C VAL C 107 44.013 -17.193 18.125 1.00 18.95 C ATOM 3090 O VAL C 107 43.991 -18.016 19.040 1.00 22.32 O ATOM 3091 CB VAL C 107 44.900 -18.645 16.295 1.00 17.76 C ATOM 3092 CG1 VAL C 107 43.464 -18.813 15.838 1.00 21.19 C ATOM 3093 CG2 VAL C 107 45.881 -18.732 15.091 1.00 18.07 C ATOM 3094 H VAL C 107 46.772 -17.708 18.296 1.00 0.00 H ATOM 3095 N GLY C 108 43.149 -16.187 18.031 1.00 19.81 N ATOM 3096 CA GLY C 108 42.092 -15.986 19.009 1.00 18.61 C ATOM 3097 C GLY C 108 40.820 -16.727 18.616 1.00 20.69 C ATOM 3098 O GLY C 108 40.499 -16.849 17.431 1.00 19.30 O ATOM 3099 H GLY C 108 43.232 -15.524 17.234 1.00 0.00 H ATOM 3100 N TRP C 109 40.109 -17.222 19.627 1.00 22.42 N ATOM 3101 CA TRP C 109 38.865 -17.964 19.459 1.00 19.34 C ATOM 3102 C TRP C 109 38.182 -18.062 20.817 1.00 20.08 C ATOM 3103 O TRP C 109 38.854 -18.296 21.826 1.00 20.08 O ATOM 3104 CB TRP C 109 39.136 -19.364 18.880 1.00 17.72 C ATOM 3105 CG TRP C 109 37.919 -20.259 18.846 1.00 18.00 C ATOM 3106 CD1 TRP C 109 36.854 -20.170 17.998 1.00 18.88 C ATOM 3107 CD2 TRP C 109 37.653 -21.381 19.705 1.00 19.46 C ATOM 3108 NE1 TRP C 109 35.943 -21.172 18.265 1.00 20.18 N ATOM 3109 CE2 TRP C 109 36.408 -21.922 19.312 1.00 22.55 C ATOM 3110 CE3 TRP C 109 38.343 -21.970 20.770 1.00 23.27 C ATOM 3111 CZ2 TRP C 109 35.838 -23.032 19.954 1.00 20.45 C ATOM 3112 CZ3 TRP C 109 37.780 -23.074 21.396 1.00 24.13 C ATOM 3113 CH2 TRP C 109 36.539 -23.583 20.993 1.00 21.37 C ATOM 3114 HE1 TRP C 109 35.051 -21.331 17.755 1.00 0.00 H ATOM 3115 H TRP C 109 40.462 -17.071 20.594 1.00 0.00 H ATOM 3116 N ASN C 110 36.865 -17.863 20.850 1.00 21.47 N ATOM 3117 CA ASN C 110 36.075 -18.149 22.054 1.00 22.83 C ATOM 3118 C ASN C 110 36.615 -17.434 23.301 1.00 22.52 C ATOM 3119 O ASN C 110 36.894 -18.068 24.319 1.00 24.79 O ATOM 3120 CB ASN C 110 36.033 -19.664 22.278 1.00 21.33 C ATOM 3121 CG ASN C 110 34.926 -20.094 23.231 1.00 26.19 C ATOM 3122 OD1 ASN C 110 33.917 -19.410 23.384 1.00 24.84 O ATOM 3123 ND2 ASN C 110 35.126 -21.233 23.888 1.00 32.11 N ATOM 3124 HD22 ASN C 110 35.996 -21.780 23.727 1.00 0.00 H ATOM 3125 HD21 ASN C 110 34.413 -21.576 24.563 1.00 0.00 H ATOM 3126 H ASN C 110 36.385 -17.497 20.003 1.00 0.00 H ATOM 3127 N ASN C 111 36.812 -16.121 23.175 1.00 19.09 N ATOM 3128 CA ASN C 111 37.247 -15.246 24.264 1.00 21.35 C ATOM 3129 C ASN C 111 38.688 -15.471 24.723 1.00 25.68 C ATOM 3130 O ASN C 111 39.130 -14.856 25.692 1.00 26.29 O ATOM 3131 CB ASN C 111 36.303 -15.385 25.473 1.00 20.67 C ATOM 3132 CG ASN C 111 34.899 -14.907 25.171 1.00 28.01 C ATOM 3133 OD1 ASN C 111 34.710 -13.912 24.475 1.00 31.62 O ATOM 3134 ND2 ASN C 111 33.907 -15.614 25.692 1.00 30.12 N ATOM 3135 HD22 ASN C 111 34.114 -16.450 26.275 1.00 0.00 H ATOM 3136 HD21 ASN C 111 32.921 -15.333 25.518 1.00 0.00 H ATOM 3137 H ASN C 111 36.646 -15.691 22.243 1.00 0.00 H ATOM 3138 N SER C 112 39.427 -16.330 24.028 1.00 23.73 N ATOM 3139 CA SER C 112 40.794 -16.650 24.433 1.00 25.25 C ATOM 3140 C SER C 112 41.653 -16.907 23.194 1.00 22.14 C ATOM 3141 O SER C 112 41.313 -16.450 22.110 1.00 23.41 O ATOM 3142 CB SER C 112 40.804 -17.863 25.373 1.00 27.41 C ATOM 3143 OG SER C 112 42.066 -18.041 26.000 1.00 24.70 O ATOM 3144 HG SER C 112 42.029 -18.831 26.595 1.00 0.00 H ATOM 3145 H SER C 112 39.025 -16.782 23.182 1.00 0.00 H ATOM 3146 N THR C 113 42.770 -17.609 23.359 1.00 21.94 N ATOM 3147 CA THR C 113 43.569 -18.079 22.221 1.00 24.07 C ATOM 3148 C THR C 113 43.817 -19.572 22.356 1.00 28.78 C ATOM 3149 O THR C 113 43.552 -20.152 23.411 1.00 29.86 O ATOM 3150 CB THR C 113 44.940 -17.383 22.112 1.00 22.16 C ATOM 3151 OG1 THR C 113 45.706 -17.653 23.294 1.00 24.55 O ATOM 3152 CG2 THR C 113 44.775 -15.876 21.935 1.00 23.48 C ATOM 3153 HG1 THR C 113 46.587 -17.206 23.224 1.00 0.00 H ATOM 3154 H THR C 113 43.087 -17.832 24.324 1.00 0.00 H ATOM 3155 N PHE C 114 44.340 -20.187 21.299 1.00 27.85 N ATOM 3156 CA PHE C 114 44.654 -21.613 21.339 1.00 27.52 C ATOM 3157 C PHE C 114 45.964 -21.949 22.076 1.00 34.70 C ATOM 3158 O PHE C 114 46.257 -23.123 22.300 1.00 30.49 O ATOM 3159 CB PHE C 114 44.694 -22.177 19.905 1.00 25.34 C ATOM 3160 CG PHE C 114 43.330 -22.316 19.260 1.00 27.76 C ATOM 3161 CD1 PHE C 114 42.412 -23.239 19.737 1.00 30.06 C ATOM 3162 CD2 PHE C 114 42.965 -21.529 18.180 1.00 22.01 C ATOM 3163 CE1 PHE C 114 41.151 -23.362 19.148 1.00 25.78 C ATOM 3164 CE2 PHE C 114 41.712 -21.657 17.588 1.00 26.47 C ATOM 3165 CZ PHE C 114 40.807 -22.579 18.078 1.00 23.37 C ATOM 3166 H PHE C 114 44.528 -19.645 20.432 1.00 0.00 H ATOM 3167 N ALA C 115 46.758 -20.939 22.442 1.00 29.89 N ATOM 3168 CA ALA C 115 47.950 -21.180 23.277 1.00 36.25 C ATOM 3169 C ALA C 115 47.585 -21.796 24.611 1.00 42.86 C ATOM 3170 O ALA C 115 46.625 -21.336 25.221 1.00 43.72 O ATOM 3171 CB ALA C 115 48.712 -19.898 23.540 1.00 28.67 C ATOM 3172 OXT ALA C 115 48.245 -22.710 25.128 1.00 42.19 O ATOM 3173 H ALA C 115 46.533 -19.971 22.135 1.00 0.00 H TER 3174 ALA C 115 HETATM 3175 O HOH 1 47.847 -7.942 -13.010 1.00 19.11 O HETATM 3176 O HOH 2 37.009 -5.523 -5.480 1.00 19.87 O HETATM 3177 O HOH 3 49.170 -8.654 -1.418 1.00 22.14 O HETATM 3178 O HOH 4 46.822 -4.856 -18.631 1.00 21.96 O HETATM 3179 O HOH 5 44.907 11.266 9.151 1.00 31.24 O HETATM 3180 O HOH 6 43.112 -1.662 -15.222 1.00 22.53 O HETATM 3181 O HOH 7 48.829 8.174 -0.941 1.00 22.09 O HETATM 3182 O HOH 8 61.203 6.337 8.217 1.00 26.59 O HETATM 3183 O HOH 9 44.887 4.544 -13.103 1.00 23.87 O HETATM 3184 O HOH 10 57.703 -10.946 5.976 1.00 23.99 O HETATM 3185 O HOH 11 55.592 -26.452 -1.340 1.00 24.84 O HETATM 3186 O HOH 12 41.801 4.864 -16.350 1.00 27.93 O HETATM 3187 O HOH 13 61.809 -19.005 -1.052 1.00 28.74 O HETATM 3188 O HOH 14 45.565 13.308 6.565 1.00 33.88 O HETATM 3189 O HOH 15 30.652 4.457 -6.823 1.00 27.64 O HETATM 3190 O HOH 16 63.465 -10.546 0.523 1.00 31.15 O HETATM 3191 O HOH 17 49.461 -4.678 -17.447 1.00 26.21 O HETATM 3192 O HOH 18 29.929 3.376 -4.709 1.00 33.87 O HETATM 3193 O HOH 19 44.404 10.386 -12.356 1.00 30.97 O HETATM 3194 O HOH 20 51.028 -30.751 -6.802 1.00 31.19 O HETATM 3195 O HOH 21 33.700 -3.438 -3.207 1.00 33.01 O HETATM 3196 O HOH 22 47.194 10.422 9.481 1.00 34.23 O HETATM 3197 O HOH 23 39.326 9.042 -8.363 1.00 35.99 O HETATM 3198 O HOH 24 34.957 4.932 5.514 1.00 33.74 O HETATM 3199 O HOH 25 66.727 -5.610 4.790 1.00 41.83 O HETATM 3200 O HOH 26 48.386 11.691 -14.846 1.00 31.24 O HETATM 3201 O HOH 27 56.784 -27.285 -5.424 1.00 29.35 O HETATM 3202 O HOH 28 34.499 4.107 -16.834 1.00 45.44 O HETATM 3203 O HOH 29 59.843 4.571 -5.521 1.00 35.50 O HETATM 3204 O HOH 30 41.074 -0.473 -12.391 1.00 29.85 O HETATM 3205 O HOH 31 56.076 -2.758 -16.892 1.00 37.60 O HETATM 3206 O HOH 32 32.829 4.273 0.608 1.00 34.08 O HETATM 3207 O HOH 33 64.401 -11.135 -10.121 1.00 42.71 O HETATM 3208 O HOH 34 57.769 -12.244 -6.014 1.00 24.37 O HETATM 3209 O HOH 35 42.676 -10.646 -1.999 1.00 25.70 O HETATM 3210 O HOH 36 44.422 -12.751 -0.866 1.00 30.90 O HETATM 3211 O HOH 37 41.404 -7.116 4.031 1.00 31.09 O HETATM 3212 O HOH 38 33.325 10.235 11.816 1.00 56.95 O HETATM 3213 O HOH 39 56.283 -17.806 3.887 1.00 21.55 O HETATM 3214 O HOH 40 58.045 -17.610 5.839 1.00 35.46 O HETATM 3215 O HOH 41 54.016 -15.086 6.041 1.00 35.63 O HETATM 3216 O HOH 42 56.066 -21.469 7.171 1.00 36.38 O HETATM 3217 O HOH 43 56.593 -13.708 5.961 1.00 40.52 O HETATM 3218 O HOH 44 49.174 13.257 -5.751 1.00 27.07 O HETATM 3219 O HOH 45 51.078 11.366 -6.545 1.00 18.66 O HETATM 3220 O HOH 46 53.707 11.536 -7.498 1.00 29.24 O HETATM 3221 O HOH 47 54.374 6.588 -7.951 1.00 28.91 O HETATM 3222 O HOH 48 64.846 2.917 -0.469 1.00 27.70 O HETATM 3223 O HOH 49 63.343 5.011 -0.915 1.00 25.03 O HETATM 3224 O HOH 50 65.144 6.876 0.764 1.00 37.90 O HETATM 3225 O HOH 51 63.652 5.610 -3.397 1.00 37.25 O HETATM 3226 O HOH 52 62.277 -10.579 4.749 1.00 39.04 O HETATM 3227 O HOH 53 42.602 -4.348 -15.922 1.00 30.73 O HETATM 3228 O HOH 54 55.845 -9.423 7.248 1.00 23.88 O HETATM 3229 O HOH 55 47.866 -7.356 5.485 1.00 20.40 O HETATM 3230 O HOH 56 42.105 -9.804 0.600 1.00 30.07 O HETATM 3231 O HOH 57 37.457 -6.171 2.039 1.00 30.98 O HETATM 3232 O HOH 58 40.396 -7.884 0.758 1.00 36.04 O HETATM 3233 O HOH 59 62.189 -0.424 -6.551 1.00 35.73 O HETATM 3234 O HOH 60 32.717 -5.301 0.751 1.00 30.02 O HETATM 3235 O HOH 61 52.262 -5.783 -20.373 1.00 30.40 O HETATM 3236 O HOH 62 59.654 -5.902 -15.638 1.00 33.80 O HETATM 3237 O HOH 63 34.394 -4.612 -5.791 1.00 37.19 O HETATM 3238 O HOH 64 30.879 3.896 -0.882 1.00 36.91 O HETATM 3239 O HOH 65 42.794 11.053 2.293 1.00 21.22 O HETATM 3240 O HOH 66 60.253 -13.981 -7.171 1.00 30.72 O HETATM 3241 O HOH 67 62.963 -12.708 -6.019 1.00 29.59 O HETATM 3242 O HOH 68 61.387 -15.620 0.178 1.00 26.14 O HETATM 3243 O HOH 69 44.620 13.447 -6.836 1.00 30.44 O HETATM 3244 O HOH 70 43.906 -4.640 1.789 1.00 27.96 O HETATM 3245 O HOH 71 56.276 -24.254 4.637 1.00 31.47 O HETATM 3246 O HOH 72 52.381 -13.493 7.979 1.00 38.04 O HETATM 3247 O HOH 73 47.118 14.292 -7.411 1.00 28.10 O HETATM 3248 O HOH 74 47.041 15.896 -9.592 1.00 28.51 O HETATM 3249 O HOH 75 39.528 -2.072 -14.151 1.00 29.83 O HETATM 3250 O HOH 76 39.226 -4.925 -14.707 1.00 33.48 O HETATM 3251 O HOH 77 63.074 -4.337 -5.632 1.00 35.29 O HETATM 3252 O HOH 78 57.409 5.219 -14.839 1.00 34.98 O HETATM 3253 O HOH 79 57.896 -4.331 -17.588 1.00 38.90 O HETATM 3254 O HOH 80 60.263 1.152 -5.983 1.00 34.32 O HETATM 3255 O HOH 81 30.352 7.359 -6.514 1.00 42.60 O HETATM 3256 O HOH 82 35.209 11.532 9.929 1.00 39.98 O HETATM 3257 O HOH 83 35.655 9.121 2.558 1.00 36.94 O HETATM 3258 O HOH 84 43.304 14.648 0.408 1.00 46.96 O HETATM 3259 O HOH 85 61.721 -17.017 2.648 1.00 43.24 O HETATM 3260 O HOH 86 59.778 -15.983 4.433 1.00 42.40 O HETATM 3261 O HOH 87 59.186 -22.531 -9.496 1.00 33.94 O HETATM 3262 O HOH 88 57.169 -24.293 -10.819 1.00 38.16 O HETATM 3263 O HOH 89 54.944 -24.853 -10.388 1.00 36.40 O HETATM 3264 O HOH 90 62.501 -27.990 -6.885 1.00 33.59 O HETATM 3265 O HOH 91 42.851 -28.708 -12.995 1.00 42.85 O HETATM 3266 O HOH 92 47.206 14.088 -11.962 1.00 35.72 O HETATM 3267 O HOH 93 48.247 -24.719 -16.448 1.00 36.11 O HETATM 3268 O HOH 94 50.857 -27.436 -15.631 1.00 37.21 O HETATM 3269 O HOH 95 57.053 -8.551 9.656 1.00 20.19 O HETATM 3270 O HOH 96 26.963 -16.651 16.134 1.00 21.79 O HETATM 3271 O HOH 97 57.530 10.758 5.054 1.00 24.37 O HETATM 3272 O HOH 98 40.361 4.578 13.180 1.00 28.76 O HETATM 3273 O HOH 99 57.636 -5.974 15.868 1.00 29.59 O HETATM 3274 O HOH 100 51.286 -14.382 13.199 1.00 25.35 O HETATM 3275 O HOH 101 53.288 -12.737 14.165 1.00 27.68 O HETATM 3276 O HOH 102 62.183 3.482 7.692 1.00 26.88 O HETATM 3277 O HOH 103 32.027 -12.966 19.743 1.00 26.23 O HETATM 3278 O HOH 104 36.136 -9.607 2.100 1.00 29.35 O HETATM 3279 O HOH 105 29.146 0.091 18.572 1.00 34.08 O HETATM 3280 O HOH 106 31.581 -2.120 24.737 1.00 45.09 O HETATM 3281 O HOH 107 62.036 -6.823 5.732 1.00 34.48 O HETATM 3282 O HOH 108 60.221 -3.942 14.590 1.00 32.62 O HETATM 3283 O HOH 109 21.720 -5.021 5.661 1.00 32.73 O HETATM 3284 O HOH 110 27.279 -16.980 5.332 1.00 35.67 O HETATM 3285 O HOH 111 25.662 -12.122 4.668 1.00 38.60 O HETATM 3286 O HOH 112 34.603 -6.465 25.251 1.00 36.61 O HETATM 3287 O HOH 113 27.211 -4.666 2.520 1.00 41.88 O HETATM 3288 O HOH 114 22.619 -6.567 3.787 1.00 37.23 O HETATM 3289 O HOH 115 23.572 -11.318 14.146 1.00 43.62 O HETATM 3290 O HOH 116 60.378 -10.183 6.293 1.00 37.67 O HETATM 3291 O HOH 117 27.096 0.635 6.841 1.00 49.93 O HETATM 3292 O HOH 118 31.015 5.014 19.048 1.00 37.64 O HETATM 3293 O HOH 119 29.787 -9.457 25.299 1.00 42.79 O HETATM 3294 O HOH 120 22.789 -13.550 15.967 1.00 41.79 O HETATM 3295 O HOH 121 60.688 5.826 10.823 1.00 36.74 O HETATM 3296 O HOH 122 63.178 -3.157 11.869 1.00 36.37 O HETATM 3297 O HOH 123 55.120 -8.149 20.570 1.00 33.98 O HETATM 3298 O HOH 124 23.472 -6.256 15.596 1.00 40.91 O HETATM 3299 O HOH 125 44.941 10.593 11.785 1.00 39.73 O HETATM 3300 O HOH 126 51.238 -1.120 16.458 1.00 28.00 O HETATM 3301 O HOH 127 30.615 -5.581 2.404 1.00 29.06 O HETATM 3302 O HOH 128 33.572 -2.886 4.288 1.00 21.03 O HETATM 3303 O HOH 129 41.900 -4.645 4.719 1.00 25.03 O HETATM 3304 O HOH 130 38.754 -8.078 3.943 1.00 28.17 O HETATM 3305 O HOH 131 45.712 -12.117 29.565 1.00 38.72 O HETATM 3306 O HOH 132 54.711 -14.157 24.904 1.00 51.86 O HETATM 3307 O HOH 133 62.277 -0.224 5.940 1.00 32.63 O HETATM 3308 O HOH 134 44.715 -4.927 4.556 1.00 31.90 O HETATM 3309 O HOH 135 56.936 8.212 7.034 1.00 30.28 O HETATM 3310 O HOH 136 29.579 -23.272 15.784 1.00 28.34 O HETATM 3311 O HOH 137 54.664 -11.580 11.461 1.00 43.26 O HETATM 3312 O HOH 138 54.217 -11.391 8.860 1.00 37.23 O HETATM 3313 O HOH 139 57.624 6.668 8.948 1.00 34.64 O HETATM 3314 O HOH 140 28.843 -23.282 21.580 1.00 33.87 O HETATM 3315 O HOH 141 28.721 -2.360 3.592 1.00 47.08 O HETATM 3316 O HOH 142 66.924 0.776 5.470 1.00 47.86 O HETATM 3317 O HOH 143 64.927 -0.065 7.223 1.00 40.88 O HETATM 3318 O HOH 144 53.571 3.026 15.356 1.00 50.48 O HETATM 3319 O HOH 145 44.514 -6.364 10.680 1.00 24.84 O HETATM 3320 O HOH 146 44.416 -12.957 8.648 1.00 19.69 O HETATM 3321 O HOH 147 43.411 -13.216 6.471 1.00 40.93 O HETATM 3322 O HOH 148 31.552 4.727 13.471 1.00 40.09 O HETATM 3323 O HOH 149 30.597 2.666 12.500 1.00 43.45 O HETATM 3324 O HOH 150 47.963 -0.400 28.108 1.00 51.76 O HETATM 3325 O HOH 151 49.296 -4.690 25.373 1.00 38.18 O HETATM 3326 O HOH 152 23.934 -23.358 8.175 1.00 35.08 O HETATM 3327 O HOH 153 40.156 -8.054 27.728 1.00 35.44 O HETATM 3328 O HOH 154 43.241 -5.985 26.120 1.00 42.23 O HETATM 3329 O HOH 155 24.706 -3.425 21.957 1.00 39.94 O HETATM 3330 O HOH 156 26.787 -17.721 22.436 1.00 38.25 O HETATM 3331 O HOH 157 28.018 -21.688 18.370 1.00 36.56 O HETATM 3332 O HOH 158 47.162 -13.617 1.740 1.00 20.15 O HETATM 3333 O HOH 159 42.902 -17.942 5.139 1.00 20.43 O HETATM 3334 O HOH 160 51.937 -16.878 14.122 1.00 21.07 O HETATM 3335 O HOH 161 32.953 -24.067 7.310 1.00 20.06 O HETATM 3336 O HOH 162 31.768 -12.637 0.485 1.00 23.01 O HETATM 3337 O HOH 163 42.271 -23.353 -10.604 1.00 23.41 O HETATM 3338 O HOH 164 48.025 -16.317 23.305 1.00 30.02 O HETATM 3339 O HOH 165 44.740 -25.697 11.824 1.00 23.25 O HETATM 3340 O HOH 166 51.768 -23.298 17.764 1.00 27.60 O HETATM 3341 O HOH 167 48.172 -32.446 5.844 1.00 30.47 O HETATM 3342 O HOH 168 47.750 -25.282 21.321 1.00 31.17 O HETATM 3343 O HOH 169 43.190 -20.667 26.328 1.00 31.93 O HETATM 3344 O HOH 170 48.866 -17.267 -16.067 1.00 32.72 O HETATM 3345 O HOH 171 54.604 -13.586 16.660 1.00 34.73 O HETATM 3346 O HOH 172 43.742 -6.416 -19.879 1.00 27.15 O HETATM 3347 O HOH 173 48.098 -34.947 -3.581 1.00 41.23 O HETATM 3348 O HOH 174 38.258 -8.539 -13.678 1.00 37.70 O HETATM 3349 O HOH 175 43.886 -24.559 22.862 1.00 30.50 O HETATM 3350 O HOH 176 36.302 -30.462 19.486 1.00 34.97 O HETATM 3351 O HOH 177 36.710 -27.090 21.761 1.00 31.61 O HETATM 3352 O HOH 178 52.742 -14.055 20.155 1.00 32.52 O HETATM 3353 O HOH 179 44.127 -14.194 -19.723 1.00 37.21 O HETATM 3354 O HOH 180 44.162 -30.404 -9.640 1.00 36.40 O HETATM 3355 O HOH 181 45.706 -33.091 -3.513 1.00 33.58 O HETATM 3356 O HOH 182 34.245 -33.812 -9.859 1.00 44.23 O HETATM 3357 O HOH 183 30.804 -21.693 -12.288 1.00 35.78 O HETATM 3358 O HOH 184 34.345 -18.557 -14.691 1.00 40.70 O HETATM 3359 O HOH 185 34.425 -8.893 -11.364 1.00 36.97 O HETATM 3360 O HOH 186 37.966 -8.648 -0.749 1.00 34.75 O HETATM 3361 O HOH 187 40.678 -33.625 0.319 1.00 32.87 O HETATM 3362 O HOH 188 31.836 -6.213 -6.135 1.00 38.99 O HETATM 3363 O HOH 189 31.100 -27.170 -5.170 1.00 22.05 O HETATM 3364 O HOH 190 38.603 -10.575 1.449 1.00 32.33 O HETATM 3365 O HOH 191 33.671 -6.080 -2.819 1.00 32.69 O HETATM 3366 O HOH 192 47.137 -15.902 -17.416 1.00 26.36 O HETATM 3367 O HOH 193 40.893 -18.659 -15.799 1.00 21.74 O HETATM 3368 O HOH 194 52.225 -23.764 14.139 1.00 32.31 O HETATM 3369 O HOH 195 52.403 -33.532 -2.375 1.00 34.49 O HETATM 3370 O HOH 196 50.969 -32.988 -4.652 1.00 35.58 O HETATM 3371 O HOH 197 53.743 -17.859 5.129 1.00 24.20 O HETATM 3372 O HOH 198 54.052 -19.315 7.484 1.00 27.56 O HETATM 3373 O HOH 199 56.014 -23.814 8.531 1.00 37.97 O HETATM 3374 O HOH 200 52.754 -17.269 9.530 1.00 41.11 O HETATM 3375 O HOH 201 52.126 -15.073 10.370 1.00 37.54 O HETATM 3376 O HOH 202 37.441 -33.878 -5.598 1.00 33.34 O HETATM 3377 O HOH 203 38.319 -12.821 5.638 1.00 25.45 O HETATM 3378 O HOH 204 25.755 -26.984 -7.243 1.00 24.13 O HETATM 3379 O HOH 205 29.886 -25.002 -11.210 1.00 39.45 O HETATM 3380 O HOH 206 39.923 -11.369 4.057 1.00 31.33 O HETATM 3381 O HOH 207 31.464 -9.906 -3.295 1.00 26.51 O HETATM 3382 O HOH 208 30.616 -11.160 -1.260 1.00 34.96 O HETATM 3383 O HOH 209 53.455 -26.851 9.948 1.00 29.71 O HETATM 3384 O HOH 210 50.828 -7.462 -18.213 1.00 31.61 O HETATM 3385 O HOH 211 29.246 -29.802 5.601 1.00 34.14 O HETATM 3386 O HOH 212 26.186 -12.884 -10.234 1.00 28.42 O HETATM 3387 O HOH 213 28.918 -10.329 -5.173 1.00 36.30 O HETATM 3388 O HOH 214 42.933 -32.857 14.827 1.00 39.55 O HETATM 3389 O HOH 215 41.827 -18.271 -18.400 1.00 33.17 O HETATM 3390 O HOH 216 48.561 -29.241 13.764 1.00 40.33 O HETATM 3391 O HOH 217 45.881 -31.991 -11.011 1.00 37.13 O HETATM 3392 O HOH 218 42.735 -32.573 -7.561 1.00 39.93 O HETATM 3393 O HOH 219 43.687 -33.497 -5.417 1.00 36.02 O HETATM 3394 O HOH 220 39.564 -31.243 -7.315 1.00 42.19 O HETATM 3395 O HOH 221 29.405 -28.196 -7.787 1.00 29.78 O HETATM 3396 O HOH 222 27.446 -21.264 -2.499 1.00 35.94 O HETATM 3397 O1 UNN A 223 52.180 -14.137 -2.168 1.00 -0.34 O HETATM 3398 C2 UNN A 223 52.787 -14.264 -3.414 1.00 0.08 C HETATM 3399 C3 UNN A 223 52.064 -14.778 -4.513 1.00 -0.04 C HETATM 3400 C4 UNN A 223 52.685 -14.920 -5.750 1.00 -0.07 C HETATM 3401 C5 UNN A 223 54.012 -14.558 -5.892 1.00 -0.05 C HETATM 3402 C6 UNN A 223 54.711 -14.721 -7.221 1.00 -0.00 C HETATM 3403 C7 UNN A 223 54.236 -13.687 -8.244 1.00 0.05 C HETATM 3404 N8 UNN A 223 54.362 -12.407 -7.620 1.00 -0.30 N HETATM 3405 C9 UNN A 223 55.316 -11.477 -8.097 1.00 0.04 C HETATM 3406 S10 UNN A 223 56.459 -11.915 -9.244 1.00 -0.25 S HETATM 3407 H9 UNN A 223 55.308 -10.458 -7.712 1.00 0.13 H HETATM 3408 H8 UNN A 223 53.776 -12.169 -6.846 1.00 0.20 H HETATM 3409 H6 UNN A 223 53.187 -13.875 -8.515 1.00 0.06 H HETATM 3410 H7 UNN A 223 54.862 -13.732 -9.148 1.00 0.06 H HETATM 3411 H4 UNN A 223 54.504 -15.729 -7.611 1.00 0.04 H HETATM 3412 H5 UNN A 223 55.794 -14.601 -7.071 1.00 0.04 H HETATM 3413 C11 UNN A 223 54.732 -14.049 -4.790 1.00 -0.07 C HETATM 3414 C12 UNN A 223 54.116 -13.904 -3.561 1.00 -0.04 C HETATM 3415 H11 UNN A 223 54.670 -13.511 -2.717 1.00 0.05 H HETATM 3416 H10 UNN A 223 55.773 -13.770 -4.908 1.00 0.05 H HETATM 3417 H3 UNN A 223 52.133 -15.312 -6.596 1.00 0.05 H HETATM 3418 H2 UNN A 223 51.025 -15.062 -4.393 1.00 0.05 H HETATM 3419 H1 UNN A 223 51.891 -14.991 -1.869 1.00 0.25 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1059 1060 1065 1066 1067 CONECT 1066 1059 CONECT 1067 1059 CONECT 2117 2118 2123 2124 2125 CONECT 2124 2117 CONECT 2125 2117 CONECT 3397 3398 3419 CONECT 3398 3397 3399 3414 CONECT 3399 3398 3400 3418 CONECT 3400 3399 3401 3417 CONECT 3401 3400 3402 3413 CONECT 3402 3401 3403 3411 3412 CONECT 3403 3402 3404 3409 3410 CONECT 3404 3403 3405 3408 CONECT 3405 3404 3406 3407 CONECT 3406 3405 CONECT 3407 3405 CONECT 3408 3404 CONECT 3409 3403 CONECT 3410 3403 CONECT 3411 3402 CONECT 3412 3402 CONECT 3413 3401 3414 3416 CONECT 3414 3398 3413 3415 CONECT 3415 3414 CONECT 3416 3413 CONECT 3417 3400 CONECT 3418 3399 CONECT 3419 3397 MASTER 0 0 0 0 0 0 0 0 3416 3 32 27 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4osf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
122aa, >1GCZ_1|Chains... *
1ljt
RCSB PDB
PDBbind
114aa, >1LJT_1|Chains... at 100%
2ooh
RCSB PDB
PDBbind
114aa, >2OOH_1|Chains... at 100%
2ooz
RCSB PDB
PDBbind
114aa, >2OOZ_1|Chains... at 100%
3b9s
RCSB PDB
PDBbind
114aa, >3B9S_1|Chains... at 100%
3ijg
RCSB PDB
PDBbind
114aa, >3IJG_1|Chains... at 100%
3l5r
RCSB PDB
PDBbind
122aa, >3L5R_1|Chains... at 100%
3u18
RCSB PDB
PDBbind
114aa, >3U18_1|Chains... at 100%
3wnr
RCSB PDB
PDBbind
114aa, >3WNR_1|Chains... at 100%
3wns
RCSB PDB
PDBbind
114aa, >3WNS_1|Chains... at 100%
3wnt
RCSB PDB
PDBbind
114aa, >3WNT_1|Chains... at 100%
4k9g
RCSB PDB
PDBbind
114aa, >4K9G_1|Chains... at 100%
4wr8
RCSB PDB
PDBbind
114aa, >4WR8_1|Chains... at 100%
4wrb
RCSB PDB
PDBbind
114aa, >4WRB_1|Chains... at 100%
5hvs
RCSB PDB
PDBbind
114aa, >5HVS_1|Chains... at 100%
5hvt
RCSB PDB
PDBbind
114aa, >5HVT_1|Chains... at 100%
5j7p
RCSB PDB
PDBbind
114aa, >5J7P_1|Chains... at 100%
5j7q
RCSB PDB
PDBbind
114aa, >5J7Q_1|Chains... at 100%
6b1c
RCSB PDB
PDBbind
114aa, >6B1C_1|Chains... at 100%
6b1k
RCSB PDB
PDBbind
114aa, >6B1K_1|Chains... at 100%
6b2c
RCSB PDB
PDBbind
114aa, >6B2C_1|Chains... at 100%
6cb5
RCSB PDB
PDBbind
114aa, >6CB5_1|Chains... at 100%
6cbf
RCSB PDB
PDBbind
114aa, >6CBF_1|Chains... at 100%
6cbg
RCSB PDB
PDBbind
114aa, >6CBG_1|Chains... at 100%
6cbh
RCSB PDB
PDBbind
114aa, >6CBH_1|Chains... at 100%
6peg
RCSB PDB
PDBbind
114aa, >6PEG_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4osf
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
recombinant human macrophage migration inhibitory factor (rhMIF)
Ligand Name
4MT
EC.Number
E.C.5.3.2.1
Resolution
1.62(Å)
Affinity (Kd/Ki/IC50)
IC50=3.6uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Eur.J.Med.Chem. Vol. 93: pp. 501-510
Ligand Properties
Formula
C
9
H
1
1
NOS
Molecular Weight
181.255
Exact Mass
181.056
No. of atoms
23
No. of bonds
23
Polar Surface Area
64.35
LOGP Value
1.76 (
Computed with XLOGP3
)
1.87 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 1
Canonical SMILES
S=CNCCc1ccc(cc1)O
InChI String
InChI=1S/C9H11NOS/c11-9-3-1-8(2-4-9)5-6-10-7-12/h1-4,7,11H,5-6H2,(H,10,12)
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UniProtKB AC
UniProt accession number (AC):
P14174
Entrez Gene ID
NCBI Entrez Gene ID:
4282
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