Browse entries in the PDBbind-CN Database
HEADER 6CBF_COMPLEX COMPND 6CBF_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 EWD A 361 32 ATOM 1 N PRO A 1 10.684 5.640 2.816 1.00 38.30 N ATOM 2 CA PRO A 1 11.751 5.481 3.801 1.00 36.88 C ATOM 3 C PRO A 1 13.119 5.140 3.204 1.00 34.87 C ATOM 4 O PRO A 1 13.200 4.661 2.068 1.00 34.93 O ATOM 5 CB PRO A 1 11.255 4.286 4.631 1.00 37.90 C ATOM 6 CG PRO A 1 10.359 3.532 3.692 1.00 37.68 C ATOM 7 CD PRO A 1 9.615 4.657 3.046 1.00 38.35 C ATOM 8 HN2 PRO A 1 11.076 5.502 1.862 1.00 0.00 H ATOM 9 HN1 PRO A 1 10.289 6.599 2.892 1.00 0.00 H ATOM 10 N MET A 2 14.172 5.362 3.989 1.00 30.80 N ATOM 11 CA MET A 2 15.513 4.885 3.661 1.00 29.97 C ATOM 12 C MET A 2 15.888 3.721 4.611 1.00 28.41 C ATOM 13 O MET A 2 15.842 3.882 5.841 1.00 26.50 O ATOM 14 CB MET A 2 16.490 6.061 3.780 1.00 30.61 C ATOM 15 CG MET A 2 17.920 5.780 3.345 1.00 30.63 C ATOM 16 SD MET A 2 18.958 7.250 3.499 1.00 30.71 S ATOM 17 CE MET A 2 19.064 7.420 5.275 1.00 29.48 C ATOM 18 H MET A 2 14.034 5.896 4.871 1.00 0.00 H ATOM 19 N PHE A 3 16.239 2.557 4.045 1.00 27.10 N ATOM 20 CA PHE A 3 16.620 1.365 4.835 1.00 25.90 C ATOM 21 C PHE A 3 18.027 0.862 4.505 1.00 24.67 C ATOM 22 O PHE A 3 18.320 0.581 3.350 1.00 24.17 O ATOM 23 CB PHE A 3 15.626 0.217 4.634 1.00 26.45 C ATOM 24 CG PHE A 3 15.867 -0.962 5.554 1.00 26.51 C ATOM 25 CD1 PHE A 3 15.795 -0.810 6.943 1.00 26.26 C ATOM 26 CD2 PHE A 3 16.170 -2.215 5.041 1.00 26.22 C ATOM 27 CE1 PHE A 3 16.018 -1.882 7.794 1.00 25.52 C ATOM 28 CE2 PHE A 3 16.388 -3.294 5.888 1.00 26.27 C ATOM 29 CZ PHE A 3 16.322 -3.127 7.262 1.00 26.33 C ATOM 30 H PHE A 3 16.244 2.489 3.007 1.00 0.00 H ATOM 31 N ILE A 4 18.873 0.733 5.529 1.00 23.32 N ATOM 32 CA ILE A 4 20.265 0.301 5.369 1.00 23.84 C ATOM 33 C ILE A 4 20.536 -0.900 6.274 1.00 23.68 C ATOM 34 O ILE A 4 20.183 -0.856 7.461 1.00 21.74 O ATOM 35 CB ILE A 4 21.290 1.403 5.737 1.00 24.42 C ATOM 36 CG1 ILE A 4 20.969 2.729 5.040 1.00 24.30 C ATOM 37 CG2 ILE A 4 22.709 0.965 5.350 1.00 24.68 C ATOM 38 CD1 ILE A 4 21.593 3.923 5.729 1.00 25.18 C ATOM 39 H ILE A 4 18.529 0.949 6.486 1.00 0.00 H ATOM 40 N VAL A 5 21.159 -1.937 5.691 1.00 23.50 N ATOM 41 CA VAL A 5 21.574 -3.158 6.390 1.00 23.68 C ATOM 42 C VAL A 5 23.086 -3.354 6.274 1.00 23.56 C ATOM 43 O VAL A 5 23.607 -3.430 5.167 1.00 22.75 O ATOM 44 CB VAL A 5 20.921 -4.425 5.778 1.00 23.99 C ATOM 45 CG1 VAL A 5 21.216 -5.657 6.632 1.00 23.92 C ATOM 46 CG2 VAL A 5 19.422 -4.245 5.620 1.00 24.63 C ATOM 47 H VAL A 5 21.361 -1.870 4.673 1.00 0.00 H ATOM 48 N ASN A 6 23.771 -3.467 7.410 1.00 23.74 N ATOM 49 CA ASN A 6 25.178 -3.845 7.445 1.00 24.01 C ATOM 50 C ASN A 6 25.261 -5.212 8.101 1.00 23.82 C ATOM 51 O ASN A 6 24.616 -5.448 9.114 1.00 24.37 O ATOM 52 CB ASN A 6 25.974 -2.832 8.261 1.00 24.77 C ATOM 53 CG ASN A 6 26.038 -1.470 7.600 1.00 24.88 C ATOM 54 OD1 ASN A 6 27.020 -1.137 6.946 1.00 24.50 O ATOM 55 ND2 ASN A 6 24.985 -0.673 7.770 1.00 25.51 N ATOM 56 HD22 ASN A 6 24.173 -0.997 8.333 1.00 0.00 H ATOM 57 HD21 ASN A 6 24.974 0.274 7.340 1.00 0.00 H ATOM 58 H ASN A 6 23.282 -3.278 8.308 1.00 0.00 H ATOM 59 N THR A 7 26.060 -6.112 7.541 1.00 24.85 N ATOM 60 CA THR A 7 26.128 -7.489 8.043 1.00 24.71 C ATOM 61 C THR A 7 27.451 -8.179 7.703 1.00 25.54 C ATOM 62 O THR A 7 28.072 -7.894 6.663 1.00 24.49 O ATOM 63 CB THR A 7 24.951 -8.332 7.494 1.00 24.40 C ATOM 64 OG1 THR A 7 24.946 -9.627 8.100 1.00 24.03 O ATOM 65 CG2 THR A 7 25.044 -8.501 5.984 1.00 24.41 C ATOM 66 HG1 THR A 7 24.847 -9.531 9.080 1.00 0.00 H ATOM 67 H THR A 7 26.650 -5.836 6.730 1.00 0.00 H ATOM 68 N ASN A 8 27.848 -9.100 8.586 1.00 26.67 N ATOM 69 CA ASN A 8 29.006 -10.002 8.369 1.00 27.38 C ATOM 70 C ASN A 8 28.735 -11.177 7.416 1.00 29.25 C ATOM 71 O ASN A 8 29.687 -11.840 6.967 1.00 30.56 O ATOM 72 CB ASN A 8 29.566 -10.534 9.708 1.00 25.96 C ATOM 73 CG ASN A 8 28.514 -11.217 10.554 1.00 25.22 C ATOM 74 OD1 ASN A 8 27.345 -11.277 10.163 1.00 24.23 O ATOM 75 ND2 ASN A 8 28.911 -11.725 11.720 1.00 24.47 N ATOM 76 HD22 ASN A 8 29.908 -11.650 12.007 1.00 0.00 H ATOM 77 HD21 ASN A 8 28.224 -12.196 12.343 1.00 0.00 H ATOM 78 H ASN A 8 27.316 -9.190 9.475 1.00 0.00 H ATOM 79 N VAL A 9 27.461 -11.446 7.128 1.00 29.73 N ATOM 80 CA VAL A 9 27.060 -12.456 6.135 1.00 29.88 C ATOM 81 C VAL A 9 27.663 -12.100 4.770 1.00 30.35 C ATOM 82 O VAL A 9 27.602 -10.940 4.372 1.00 32.00 O ATOM 83 CB VAL A 9 25.520 -12.512 6.031 1.00 29.68 C ATOM 84 CG1 VAL A 9 25.077 -13.443 4.914 1.00 30.43 C ATOM 85 CG2 VAL A 9 24.913 -12.938 7.361 1.00 28.91 C ATOM 86 H VAL A 9 26.717 -10.918 7.628 1.00 0.00 H ATOM 87 N PRO A 10 28.269 -13.078 4.060 1.00 31.12 N ATOM 88 CA PRO A 10 28.963 -12.733 2.796 1.00 32.38 C ATOM 89 C PRO A 10 28.068 -12.325 1.616 1.00 33.65 C ATOM 90 O PRO A 10 26.851 -12.528 1.656 1.00 31.70 O ATOM 91 CB PRO A 10 29.772 -14.001 2.463 1.00 32.45 C ATOM 92 CG PRO A 10 29.092 -15.106 3.186 1.00 32.08 C ATOM 93 CD PRO A 10 28.379 -14.520 4.373 1.00 31.38 C ATOM 94 N ARG A 11 28.706 -11.772 0.582 1.00 36.63 N ATOM 95 CA ARG A 11 28.035 -11.309 -0.646 1.00 40.99 C ATOM 96 C ARG A 11 27.201 -12.429 -1.264 1.00 40.87 C ATOM 97 O ARG A 11 26.003 -12.254 -1.515 1.00 39.63 O ATOM 98 CB ARG A 11 29.087 -10.842 -1.663 1.00 46.07 C ATOM 99 CG ARG A 11 28.556 -10.155 -2.914 1.00 52.33 C ATOM 100 CD ARG A 11 28.251 -8.675 -2.697 1.00 58.06 C ATOM 101 NE ARG A 11 28.583 -7.873 -3.882 1.00 65.11 N ATOM 102 CZ ARG A 11 27.847 -7.781 -4.997 1.00 67.82 C ATOM 103 NH1 ARG A 11 26.687 -8.437 -5.124 1.00 68.28 N ATOM 104 NH2 ARG A 11 28.275 -7.008 -5.998 1.00 67.01 N ATOM 105 HE ARG A 11 29.468 -7.328 -3.852 1.00 0.00 H ATOM 106 HH12 ARG A 11 26.133 -8.350 -6.000 1.00 0.00 H ATOM 107 HH11 ARG A 11 26.339 -9.034 -4.347 1.00 0.00 H ATOM 108 HH22 ARG A 11 27.713 -6.927 -6.870 1.00 0.00 H ATOM 109 HH21 ARG A 11 29.170 -6.486 -5.906 1.00 0.00 H ATOM 110 H ARG A 11 29.738 -11.661 0.647 1.00 0.00 H ATOM 111 N ALA A 12 27.855 -13.579 -1.462 1.00 40.28 N ATOM 112 CA ALA A 12 27.272 -14.780 -2.080 1.00 38.60 C ATOM 113 C ALA A 12 25.920 -15.172 -1.493 1.00 38.40 C ATOM 114 O ALA A 12 25.023 -15.557 -2.237 1.00 39.89 O ATOM 115 CB ALA A 12 28.247 -15.953 -1.975 1.00 36.56 C ATOM 116 H ALA A 12 28.848 -13.628 -1.157 1.00 0.00 H ATOM 117 N SER A 13 25.779 -15.053 -0.171 1.00 38.57 N ATOM 118 CA SER A 13 24.539 -15.413 0.541 1.00 37.37 C ATOM 119 C SER A 13 23.429 -14.362 0.464 1.00 38.24 C ATOM 120 O SER A 13 22.353 -14.590 1.012 1.00 35.46 O ATOM 121 CB SER A 13 24.822 -15.706 2.023 1.00 37.49 C ATOM 122 OG SER A 13 25.983 -16.504 2.187 1.00 37.64 O ATOM 123 HG SER A 13 26.133 -16.672 3.151 1.00 0.00 H ATOM 124 H SER A 13 26.581 -14.690 0.382 1.00 0.00 H ATOM 125 N VAL A 14 23.680 -13.217 -0.177 1.00 41.49 N ATOM 126 CA VAL A 14 22.623 -12.225 -0.431 1.00 45.05 C ATOM 127 C VAL A 14 21.857 -12.678 -1.676 1.00 46.14 C ATOM 128 O VAL A 14 22.408 -12.624 -2.775 1.00 45.48 O ATOM 129 CB VAL A 14 23.192 -10.799 -0.661 1.00 46.87 C ATOM 130 CG1 VAL A 14 22.066 -9.800 -0.954 1.00 46.12 C ATOM 131 CG2 VAL A 14 24.017 -10.352 0.544 1.00 46.67 C ATOM 132 H VAL A 14 24.647 -13.022 -0.505 1.00 0.00 H ATOM 133 N PRO A 15 20.592 -13.128 -1.518 1.00 48.70 N ATOM 134 CA PRO A 15 19.899 -13.618 -2.714 1.00 50.48 C ATOM 135 C PRO A 15 19.671 -12.502 -3.713 1.00 52.69 C ATOM 136 O PRO A 15 19.438 -11.356 -3.314 1.00 51.48 O ATOM 137 CB PRO A 15 18.545 -14.123 -2.186 1.00 50.22 C ATOM 138 CG PRO A 15 18.611 -14.042 -0.696 1.00 50.82 C ATOM 139 CD PRO A 15 19.691 -13.060 -0.355 1.00 49.67 C ATOM 140 N ASP A 16 19.765 -12.831 -4.997 1.00 53.84 N ATOM 141 CA ASP A 16 19.333 -11.913 -6.039 1.00 54.24 C ATOM 142 C ASP A 16 17.826 -11.745 -5.854 1.00 52.28 C ATOM 143 O ASP A 16 17.115 -12.714 -5.545 1.00 52.25 O ATOM 144 CB ASP A 16 19.673 -12.448 -7.438 1.00 56.81 C ATOM 145 CG ASP A 16 21.185 -12.553 -7.689 1.00 58.27 C ATOM 146 OD1 ASP A 16 21.985 -12.330 -6.752 1.00 59.68 O ATOM 147 OD2 ASP A 16 21.575 -12.869 -8.831 1.00 56.46 O ATOM 148 H ASP A 16 20.153 -13.759 -5.261 1.00 0.00 H ATOM 149 N GLY A 17 17.360 -10.509 -6.001 1.00 50.39 N ATOM 150 CA GLY A 17 15.968 -10.150 -5.732 1.00 47.21 C ATOM 151 C GLY A 17 15.746 -9.515 -4.372 1.00 44.88 C ATOM 152 O GLY A 17 14.675 -8.955 -4.132 1.00 46.77 O ATOM 153 H GLY A 17 18.013 -9.765 -6.321 1.00 0.00 H ATOM 154 N PHE A 18 16.753 -9.565 -3.495 1.00 42.63 N ATOM 155 CA PHE A 18 16.595 -9.152 -2.086 1.00 41.10 C ATOM 156 C PHE A 18 16.345 -7.651 -1.883 1.00 39.85 C ATOM 157 O PHE A 18 15.543 -7.267 -1.018 1.00 38.11 O ATOM 158 CB PHE A 18 17.805 -9.592 -1.273 1.00 40.42 C ATOM 159 CG PHE A 18 17.692 -9.289 0.188 1.00 40.55 C ATOM 160 CD1 PHE A 18 16.701 -9.886 0.955 1.00 40.37 C ATOM 161 CD2 PHE A 18 18.578 -8.408 0.803 1.00 39.68 C ATOM 162 CE1 PHE A 18 16.597 -9.619 2.314 1.00 40.35 C ATOM 163 CE2 PHE A 18 18.480 -8.137 2.157 1.00 39.48 C ATOM 164 CZ PHE A 18 17.487 -8.740 2.915 1.00 39.69 C ATOM 165 H PHE A 18 17.681 -9.907 -3.816 1.00 0.00 H ATOM 166 N LEU A 19 17.029 -6.820 -2.672 1.00 39.40 N ATOM 167 CA LEU A 19 16.794 -5.371 -2.683 1.00 38.71 C ATOM 168 C LEU A 19 15.383 -5.018 -3.149 1.00 38.26 C ATOM 169 O LEU A 19 14.738 -4.147 -2.563 1.00 38.11 O ATOM 170 CB LEU A 19 17.814 -4.661 -3.576 1.00 38.29 C ATOM 171 CG LEU A 19 19.250 -4.616 -3.047 1.00 37.67 C ATOM 172 CD1 LEU A 19 20.182 -4.038 -4.100 1.00 37.48 C ATOM 173 CD2 LEU A 19 19.331 -3.820 -1.753 1.00 36.79 C ATOM 174 H LEU A 19 17.756 -7.214 -3.303 1.00 0.00 H ATOM 175 N SER A 20 14.910 -5.695 -4.197 1.00 38.09 N ATOM 176 CA SER A 20 13.540 -5.497 -4.693 1.00 37.63 C ATOM 177 C SER A 20 12.522 -5.895 -3.630 1.00 36.59 C ATOM 178 O SER A 20 11.569 -5.164 -3.377 1.00 37.81 O ATOM 179 CB SER A 20 13.293 -6.284 -5.986 1.00 38.13 C ATOM 180 OG SER A 20 14.104 -5.797 -7.041 1.00 36.94 O ATOM 181 HG SER A 20 13.925 -6.321 -7.862 1.00 0.00 H ATOM 182 H SER A 20 15.527 -6.381 -4.676 1.00 0.00 H ATOM 183 N GLU A 21 12.745 -7.040 -2.994 1.00 35.72 N ATOM 184 CA GLU A 21 11.836 -7.501 -1.944 1.00 36.29 C ATOM 185 C GLU A 21 11.784 -6.548 -0.748 1.00 35.56 C ATOM 186 O GLU A 21 10.711 -6.351 -0.166 1.00 37.62 O ATOM 187 CB GLU A 21 12.178 -8.923 -1.476 1.00 37.59 C ATOM 188 CG GLU A 21 10.995 -9.630 -0.818 1.00 38.84 C ATOM 189 CD GLU A 21 11.363 -10.910 -0.090 1.00 39.95 C ATOM 190 OE1 GLU A 21 12.522 -11.386 -0.205 1.00 39.21 O ATOM 191 OE2 GLU A 21 10.471 -11.437 0.610 1.00 40.83 O ATOM 192 H GLU A 21 13.575 -7.615 -3.245 1.00 0.00 H ATOM 193 N LEU A 22 12.921 -5.958 -0.380 1.00 32.22 N ATOM 194 CA LEU A 22 12.913 -4.947 0.680 1.00 32.41 C ATOM 195 C LEU A 22 12.110 -3.701 0.274 1.00 32.19 C ATOM 196 O LEU A 22 11.314 -3.191 1.064 1.00 29.37 O ATOM 197 CB LEU A 22 14.340 -4.574 1.112 1.00 32.72 C ATOM 198 CG LEU A 22 15.096 -5.625 1.944 1.00 32.50 C ATOM 199 CD1 LEU A 22 16.570 -5.252 2.073 1.00 32.03 C ATOM 200 CD2 LEU A 22 14.445 -5.804 3.314 1.00 32.63 C ATOM 201 H LEU A 22 13.815 -6.216 -0.846 1.00 0.00 H ATOM 202 N THR A 23 12.298 -3.237 -0.959 1.00 33.12 N ATOM 203 CA THR A 23 11.534 -2.098 -1.479 1.00 34.63 C ATOM 204 C THR A 23 10.018 -2.388 -1.484 1.00 37.65 C ATOM 205 O THR A 23 9.242 -1.604 -0.938 1.00 37.76 O ATOM 206 CB THR A 23 11.990 -1.713 -2.901 1.00 34.20 C ATOM 207 OG1 THR A 23 13.415 -1.617 -2.948 1.00 32.01 O ATOM 208 CG2 THR A 23 11.393 -0.380 -3.328 1.00 35.39 C ATOM 209 HG1 THR A 23 13.812 -2.490 -2.703 1.00 0.00 H ATOM 210 H THR A 23 13.005 -3.694 -1.570 1.00 0.00 H ATOM 211 N GLN A 24 9.615 -3.513 -2.084 1.00 41.72 N ATOM 212 CA GLN A 24 8.199 -3.938 -2.112 1.00 44.22 C ATOM 213 C GLN A 24 7.617 -3.947 -0.701 1.00 42.57 C ATOM 214 O GLN A 24 6.639 -3.253 -0.413 1.00 39.87 O ATOM 215 CB GLN A 24 8.041 -5.349 -2.716 1.00 49.48 C ATOM 216 CG GLN A 24 8.274 -5.454 -4.223 1.00 54.67 C ATOM 217 CD GLN A 24 8.365 -6.902 -4.729 1.00 60.54 C ATOM 218 OE1 GLN A 24 9.196 -7.698 -4.261 1.00 58.56 O ATOM 219 NE2 GLN A 24 7.522 -7.242 -5.711 1.00 62.46 N ATOM 220 HE22 GLN A 24 6.841 -6.546 -6.076 1.00 0.00 H ATOM 221 HE21 GLN A 24 7.548 -8.202 -6.110 1.00 0.00 H ATOM 222 H GLN A 24 10.326 -4.113 -2.549 1.00 0.00 H ATOM 223 N GLN A 25 8.253 -4.721 0.175 1.00 41.24 N ATOM 224 CA GLN A 25 7.754 -4.941 1.538 1.00 40.15 C ATOM 225 C GLN A 25 7.699 -3.679 2.380 1.00 37.35 C ATOM 226 O GLN A 25 6.765 -3.501 3.160 1.00 36.38 O ATOM 227 CB GLN A 25 8.599 -6.004 2.253 1.00 42.47 C ATOM 228 CG GLN A 25 8.348 -7.417 1.750 1.00 43.65 C ATOM 229 CD GLN A 25 6.976 -7.944 2.159 1.00 46.09 C ATOM 230 OE1 GLN A 25 6.541 -7.764 3.300 1.00 47.78 O ATOM 231 NE2 GLN A 25 6.288 -8.595 1.229 1.00 45.69 N ATOM 232 HE22 GLN A 25 6.691 -8.725 0.279 1.00 0.00 H ATOM 233 HE21 GLN A 25 5.346 -8.975 1.450 1.00 0.00 H ATOM 234 H GLN A 25 9.136 -5.187 -0.117 1.00 0.00 H ATOM 235 N LEU A 26 8.700 -2.814 2.223 1.00 36.00 N ATOM 236 CA LEU A 26 8.726 -1.538 2.937 1.00 35.50 C ATOM 237 C LEU A 26 7.653 -0.565 2.454 1.00 35.16 C ATOM 238 O LEU A 26 7.223 0.284 3.224 1.00 33.82 O ATOM 239 CB LEU A 26 10.118 -0.872 2.893 1.00 34.72 C ATOM 240 CG LEU A 26 11.101 -1.342 3.979 1.00 34.19 C ATOM 241 CD1 LEU A 26 12.535 -1.001 3.613 1.00 33.22 C ATOM 242 CD2 LEU A 26 10.738 -0.754 5.340 1.00 34.32 C ATOM 243 H LEU A 26 9.481 -3.052 1.578 1.00 0.00 H ATOM 244 N ALA A 27 7.244 -0.668 1.190 1.00 38.09 N ATOM 245 CA ALA A 27 6.148 0.155 0.660 1.00 39.40 C ATOM 246 C ALA A 27 4.834 -0.323 1.263 1.00 40.79 C ATOM 247 O ALA A 27 4.104 0.466 1.864 1.00 39.44 O ATOM 248 CB ALA A 27 6.101 0.078 -0.856 1.00 39.83 C ATOM 249 H ALA A 27 7.714 -1.350 0.561 1.00 0.00 H ATOM 250 N GLN A 28 4.580 -1.630 1.125 1.00 44.22 N ATOM 251 CA GLN A 28 3.434 -2.326 1.754 1.00 46.73 C ATOM 252 C GLN A 28 3.239 -2.053 3.240 1.00 47.00 C ATOM 253 O GLN A 28 2.103 -1.977 3.698 1.00 49.18 O ATOM 254 CB GLN A 28 3.557 -3.847 1.595 1.00 47.95 C ATOM 255 CG GLN A 28 2.902 -4.426 0.353 1.00 48.71 C ATOM 256 CD GLN A 28 2.925 -5.947 0.356 1.00 49.62 C ATOM 257 OE1 GLN A 28 2.755 -6.586 1.403 1.00 47.37 O ATOM 258 NE2 GLN A 28 3.148 -6.538 -0.820 1.00 49.15 N ATOM 259 HE22 GLN A 28 3.285 -5.961 -1.674 1.00 0.00 H ATOM 260 HE21 GLN A 28 3.184 -7.576 -0.882 1.00 0.00 H ATOM 261 H GLN A 28 5.229 -2.193 0.539 1.00 0.00 H ATOM 262 N ALA A 29 4.341 -1.935 3.980 1.00 46.78 N ATOM 263 CA ALA A 29 4.306 -1.770 5.437 1.00 48.18 C ATOM 264 C ALA A 29 4.160 -0.313 5.908 1.00 47.79 C ATOM 265 O ALA A 29 3.355 -0.024 6.801 1.00 46.90 O ATOM 266 CB ALA A 29 5.553 -2.400 6.055 1.00 48.98 C ATOM 267 H ALA A 29 5.265 -1.961 3.504 1.00 0.00 H ATOM 268 N THR A 30 4.948 0.591 5.325 1.00 46.59 N ATOM 269 CA THR A 30 5.024 1.983 5.799 1.00 45.72 C ATOM 270 C THR A 30 3.893 2.900 5.323 1.00 44.94 C ATOM 271 O THR A 30 3.677 3.976 5.915 1.00 45.04 O ATOM 272 CB THR A 30 6.349 2.646 5.376 1.00 45.74 C ATOM 273 OG1 THR A 30 6.472 2.614 3.950 1.00 44.22 O ATOM 274 CG2 THR A 30 7.545 1.937 6.023 1.00 45.67 C ATOM 275 HG1 THR A 30 6.462 1.674 3.640 1.00 0.00 H ATOM 276 H THR A 30 5.527 0.304 4.510 1.00 0.00 H ATOM 277 N GLY A 31 3.194 2.490 4.260 1.00 42.79 N ATOM 278 CA GLY A 31 2.207 3.348 3.597 1.00 42.36 C ATOM 279 C GLY A 31 2.864 4.502 2.847 1.00 41.38 C ATOM 280 O GLY A 31 2.349 5.632 2.868 1.00 40.26 O ATOM 281 H GLY A 31 3.355 1.531 3.891 1.00 0.00 H ATOM 282 N LYS A 32 4.008 4.211 2.209 1.00 38.44 N ATOM 283 CA LYS A 32 4.784 5.186 1.451 1.00 38.23 C ATOM 284 C LYS A 32 4.972 4.689 0.023 1.00 38.37 C ATOM 285 O LYS A 32 5.095 3.480 -0.210 1.00 38.11 O ATOM 286 CB LYS A 32 6.157 5.425 2.090 1.00 39.03 C ATOM 287 CG LYS A 32 6.110 5.951 3.508 1.00 38.33 C ATOM 288 CD LYS A 32 5.617 7.379 3.566 1.00 38.67 C ATOM 289 CE LYS A 32 5.379 7.809 5.004 1.00 39.22 C ATOM 290 NZ LYS A 32 6.626 7.818 5.818 1.00 39.05 N ATOM 291 HZ1 LYS A 32 7.034 6.862 5.835 1.00 0.00 H ATOM 292 HZ2 LYS A 32 7.309 8.480 5.397 1.00 0.00 H ATOM 293 HZ3 LYS A 32 6.403 8.119 6.788 1.00 0.00 H ATOM 294 H LYS A 32 4.362 3.234 2.258 1.00 0.00 H ATOM 295 N PRO A 33 5.001 5.619 -0.943 1.00 37.93 N ATOM 296 CA PRO A 33 5.125 5.202 -2.330 1.00 37.95 C ATOM 297 C PRO A 33 6.515 4.627 -2.597 1.00 36.58 C ATOM 298 O PRO A 33 7.514 5.201 -2.141 1.00 34.35 O ATOM 299 CB PRO A 33 4.909 6.502 -3.111 1.00 39.31 C ATOM 300 CG PRO A 33 5.346 7.578 -2.174 1.00 40.17 C ATOM 301 CD PRO A 33 4.972 7.089 -0.806 1.00 40.31 C ATOM 302 N PRO A 34 6.586 3.504 -3.337 1.00 35.17 N ATOM 303 CA PRO A 34 7.862 2.822 -3.516 1.00 34.53 C ATOM 304 C PRO A 34 8.906 3.585 -4.329 1.00 35.09 C ATOM 305 O PRO A 34 10.075 3.220 -4.282 1.00 35.14 O ATOM 306 CB PRO A 34 7.470 1.515 -4.213 1.00 34.38 C ATOM 307 CG PRO A 34 6.190 1.819 -4.894 1.00 34.58 C ATOM 308 CD PRO A 34 5.488 2.801 -4.022 1.00 34.82 C ATOM 309 N GLN A 35 8.501 4.648 -5.026 1.00 36.25 N ATOM 310 CA GLN A 35 9.399 5.391 -5.912 1.00 36.46 C ATOM 311 C GLN A 35 10.483 6.141 -5.136 1.00 35.97 C ATOM 312 O GLN A 35 11.557 6.413 -5.668 1.00 36.35 O ATOM 313 CB GLN A 35 8.604 6.386 -6.775 1.00 37.84 C ATOM 314 CG GLN A 35 7.726 5.753 -7.864 1.00 37.80 C ATOM 315 CD GLN A 35 6.441 5.125 -7.349 1.00 37.24 C ATOM 316 OE1 GLN A 35 6.016 5.375 -6.220 1.00 35.69 O ATOM 317 NE2 GLN A 35 5.811 4.303 -8.184 1.00 38.45 N ATOM 318 HE22 GLN A 35 6.205 4.119 -9.129 1.00 0.00 H ATOM 319 HE21 GLN A 35 4.925 3.844 -7.892 1.00 0.00 H ATOM 320 H GLN A 35 7.513 4.960 -4.937 1.00 0.00 H ATOM 321 N TYR A 36 10.179 6.486 -3.886 1.00 34.38 N ATOM 322 CA TYR A 36 11.074 7.238 -3.036 1.00 35.16 C ATOM 323 C TYR A 36 11.781 6.337 -1.974 1.00 33.62 C ATOM 324 O TYR A 36 12.666 6.805 -1.270 1.00 33.86 O ATOM 325 CB TYR A 36 10.287 8.412 -2.407 1.00 37.91 C ATOM 326 CG TYR A 36 9.890 9.538 -3.397 1.00 41.67 C ATOM 327 CD1 TYR A 36 9.524 9.262 -4.726 1.00 42.66 C ATOM 328 CD2 TYR A 36 9.861 10.882 -2.998 1.00 43.94 C ATOM 329 CE1 TYR A 36 9.161 10.263 -5.608 1.00 43.04 C ATOM 330 CE2 TYR A 36 9.490 11.896 -3.891 1.00 44.33 C ATOM 331 CZ TYR A 36 9.142 11.569 -5.196 1.00 42.79 C ATOM 332 OH TYR A 36 8.770 12.519 -6.118 1.00 43.23 O ATOM 333 HH TYR A 36 8.564 12.078 -6.980 1.00 0.00 H ATOM 334 H TYR A 36 9.255 6.201 -3.504 1.00 0.00 H ATOM 335 N ILE A 37 11.414 5.055 -1.877 1.00 30.06 N ATOM 336 CA ILE A 37 12.080 4.122 -0.960 1.00 28.68 C ATOM 337 C ILE A 37 13.495 3.812 -1.448 1.00 27.57 C ATOM 338 O ILE A 37 13.697 3.394 -2.595 1.00 26.15 O ATOM 339 CB ILE A 37 11.296 2.793 -0.799 1.00 29.46 C ATOM 340 CG1 ILE A 37 9.988 3.049 -0.062 1.00 29.81 C ATOM 341 CG2 ILE A 37 12.099 1.742 -0.030 1.00 29.34 C ATOM 342 CD1 ILE A 37 8.991 1.912 -0.125 1.00 31.34 C ATOM 343 H ILE A 37 10.633 4.708 -2.469 1.00 0.00 H ATOM 344 N ALA A 38 14.471 4.024 -0.572 1.00 26.13 N ATOM 345 CA ALA A 38 15.857 3.691 -0.880 1.00 25.48 C ATOM 346 C ALA A 38 16.299 2.543 0.032 1.00 23.95 C ATOM 347 O ALA A 38 15.964 2.537 1.220 1.00 23.07 O ATOM 348 CB ALA A 38 16.750 4.917 -0.723 1.00 24.77 C ATOM 349 H ALA A 38 14.241 4.437 0.355 1.00 0.00 H ATOM 350 N VAL A 39 17.006 1.562 -0.543 1.00 23.57 N ATOM 351 CA VAL A 39 17.526 0.432 0.232 1.00 23.87 C ATOM 352 C VAL A 39 19.008 0.185 -0.061 1.00 24.58 C ATOM 353 O VAL A 39 19.482 0.354 -1.202 1.00 23.73 O ATOM 354 CB VAL A 39 16.711 -0.861 0.039 1.00 23.33 C ATOM 355 CG1 VAL A 39 15.282 -0.649 0.496 1.00 23.41 C ATOM 356 CG2 VAL A 39 16.747 -1.336 -1.404 1.00 23.77 C ATOM 357 H VAL A 39 17.191 1.603 -1.566 1.00 0.00 H ATOM 358 N HIS A 40 19.737 -0.211 0.989 1.00 24.30 N ATOM 359 CA HIS A 40 21.199 -0.316 0.944 1.00 24.19 C ATOM 360 C HIS A 40 21.647 -1.495 1.808 1.00 23.65 C ATOM 361 O HIS A 40 21.349 -1.534 2.992 1.00 22.83 O ATOM 362 CB HIS A 40 21.790 1.015 1.432 1.00 24.42 C ATOM 363 CG HIS A 40 23.286 1.080 1.415 1.00 24.71 C ATOM 364 ND1 HIS A 40 23.989 2.030 2.125 1.00 24.89 N ATOM 365 CD2 HIS A 40 24.213 0.307 0.798 1.00 25.25 C ATOM 366 CE1 HIS A 40 25.284 1.849 1.934 1.00 25.44 C ATOM 367 NE2 HIS A 40 25.447 0.809 1.132 1.00 25.36 N ATOM 368 H HIS A 40 19.247 -0.454 1.873 1.00 0.00 H ATOM 369 N VAL A 41 22.359 -2.440 1.194 1.00 23.78 N ATOM 370 CA VAL A 41 22.834 -3.650 1.855 1.00 24.05 C ATOM 371 C VAL A 41 24.354 -3.708 1.739 1.00 25.16 C ATOM 372 O VAL A 41 24.902 -3.584 0.631 1.00 24.04 O ATOM 373 CB VAL A 41 22.226 -4.901 1.206 1.00 24.03 C ATOM 374 CG1 VAL A 41 22.719 -6.165 1.894 1.00 23.60 C ATOM 375 CG2 VAL A 41 20.705 -4.818 1.244 1.00 24.58 C ATOM 376 H VAL A 41 22.588 -2.307 0.188 1.00 0.00 H ATOM 377 N VAL A 42 25.022 -3.880 2.886 1.00 26.29 N ATOM 378 CA VAL A 42 26.490 -3.980 2.960 1.00 28.08 C ATOM 379 C VAL A 42 26.887 -5.328 3.599 1.00 29.86 C ATOM 380 O VAL A 42 26.930 -5.453 4.835 1.00 29.91 O ATOM 381 CB VAL A 42 27.093 -2.806 3.750 1.00 28.61 C ATOM 382 CG1 VAL A 42 28.602 -2.730 3.540 1.00 29.18 C ATOM 383 CG2 VAL A 42 26.440 -1.496 3.323 1.00 28.93 C ATOM 384 H VAL A 42 24.477 -3.946 3.769 1.00 0.00 H ATOM 385 N PRO A 43 27.170 -6.347 2.755 1.00 29.96 N ATOM 386 CA PRO A 43 27.630 -7.642 3.246 1.00 30.21 C ATOM 387 C PRO A 43 29.148 -7.656 3.475 1.00 30.93 C ATOM 388 O PRO A 43 29.821 -6.657 3.198 1.00 30.24 O ATOM 389 CB PRO A 43 27.243 -8.592 2.109 1.00 29.61 C ATOM 390 CG PRO A 43 27.369 -7.759 0.883 1.00 29.22 C ATOM 391 CD PRO A 43 27.101 -6.327 1.280 1.00 29.68 C ATOM 392 N ASP A 44 29.658 -8.790 3.969 1.00 30.92 N ATOM 393 CA ASP A 44 31.099 -9.038 4.165 1.00 30.23 C ATOM 394 C ASP A 44 31.748 -8.140 5.218 1.00 29.64 C ATOM 395 O ASP A 44 32.943 -7.867 5.123 1.00 30.98 O ATOM 396 CB ASP A 44 31.876 -8.919 2.839 1.00 30.32 C ATOM 397 CG ASP A 44 31.548 -10.020 1.874 1.00 31.31 C ATOM 398 OD1 ASP A 44 31.835 -11.201 2.173 1.00 32.77 O ATOM 399 OD2 ASP A 44 31.008 -9.703 0.805 1.00 32.98 O ATOM 400 H ASP A 44 28.995 -9.547 4.232 1.00 0.00 H ATOM 401 N GLN A 45 30.978 -7.683 6.210 1.00 28.22 N ATOM 402 CA GLN A 45 31.483 -6.694 7.178 1.00 28.34 C ATOM 403 C GLN A 45 32.179 -7.313 8.383 1.00 28.57 C ATOM 404 O GLN A 45 31.788 -8.358 8.896 1.00 29.32 O ATOM 405 CB GLN A 45 30.375 -5.739 7.668 1.00 26.88 C ATOM 406 CG GLN A 45 29.810 -4.813 6.598 1.00 26.75 C ATOM 407 CD GLN A 45 30.833 -3.837 6.052 1.00 26.44 C ATOM 408 OE1 GLN A 45 31.097 -2.806 6.661 1.00 27.44 O ATOM 409 NE2 GLN A 45 31.403 -4.149 4.898 1.00 25.34 N ATOM 410 HE22 GLN A 45 31.149 -5.035 4.415 1.00 0.00 H ATOM 411 HE21 GLN A 45 32.104 -3.508 4.474 1.00 0.00 H ATOM 412 H GLN A 45 30.003 -8.033 6.300 1.00 0.00 H ATOM 413 N LEU A 46 33.215 -6.630 8.837 1.00 29.95 N ATOM 414 CA LEU A 46 33.909 -7.009 10.044 1.00 30.99 C ATOM 415 C LEU A 46 33.067 -6.439 11.189 1.00 29.84 C ATOM 416 O LEU A 46 33.196 -5.267 11.556 1.00 30.69 O ATOM 417 CB LEU A 46 35.350 -6.475 9.996 1.00 31.94 C ATOM 418 CG LEU A 46 36.368 -6.957 11.042 1.00 35.14 C ATOM 419 CD1 LEU A 46 36.699 -8.448 10.923 1.00 34.87 C ATOM 420 CD2 LEU A 46 37.643 -6.123 10.935 1.00 35.04 C ATOM 421 H LEU A 46 33.540 -5.795 8.309 1.00 0.00 H ATOM 422 N MET A 47 32.142 -7.256 11.695 1.00 28.24 N ATOM 423 CA MET A 47 31.333 -6.882 12.858 1.00 27.40 C ATOM 424 C MET A 47 31.065 -8.048 13.799 1.00 26.65 C ATOM 425 O MET A 47 31.233 -9.211 13.436 1.00 26.53 O ATOM 426 CB MET A 47 30.011 -6.228 12.431 1.00 28.29 C ATOM 427 CG MET A 47 29.217 -6.970 11.377 1.00 28.79 C ATOM 428 SD MET A 47 27.512 -6.362 11.225 1.00 29.60 S ATOM 429 CE MET A 47 27.751 -4.620 10.909 1.00 31.36 C ATOM 430 H MET A 47 31.991 -8.185 11.252 1.00 0.00 H ATOM 431 N ALA A 48 30.646 -7.705 15.013 1.00 25.47 N ATOM 432 CA ALA A 48 30.349 -8.674 16.055 1.00 25.87 C ATOM 433 C ALA A 48 29.166 -8.221 16.895 1.00 25.86 C ATOM 434 O ALA A 48 28.830 -7.047 16.928 1.00 25.84 O ATOM 435 CB ALA A 48 31.572 -8.892 16.940 1.00 25.93 C ATOM 436 H ALA A 48 30.525 -6.695 15.228 1.00 0.00 H ATOM 437 N PHE A 49 28.546 -9.176 17.576 1.00 27.08 N ATOM 438 CA PHE A 49 27.370 -8.940 18.402 1.00 27.69 C ATOM 439 C PHE A 49 27.528 -9.792 19.656 1.00 28.26 C ATOM 440 O PHE A 49 27.561 -11.009 19.576 1.00 31.28 O ATOM 441 CB PHE A 49 26.131 -9.345 17.613 1.00 28.50 C ATOM 442 CG PHE A 49 24.872 -8.678 18.070 1.00 29.10 C ATOM 443 CD1 PHE A 49 24.247 -9.079 19.244 1.00 29.74 C ATOM 444 CD2 PHE A 49 24.300 -7.658 17.313 1.00 29.29 C ATOM 445 CE1 PHE A 49 23.081 -8.469 19.663 1.00 30.48 C ATOM 446 CE2 PHE A 49 23.138 -7.042 17.727 1.00 29.95 C ATOM 447 CZ PHE A 49 22.526 -7.450 18.903 1.00 30.83 C ATOM 448 H PHE A 49 28.920 -10.145 17.517 1.00 0.00 H ATOM 449 N GLY A 50 27.651 -9.163 20.814 1.00 28.44 N ATOM 450 CA GLY A 50 27.981 -9.895 22.032 1.00 29.07 C ATOM 451 C GLY A 50 29.421 -10.393 22.105 1.00 28.97 C ATOM 452 O GLY A 50 29.734 -11.228 22.955 1.00 30.42 O ATOM 453 H GLY A 50 27.511 -8.133 20.856 1.00 0.00 H ATOM 454 N GLY A 51 30.294 -9.873 21.239 1.00 27.65 N ATOM 455 CA GLY A 51 31.663 -10.364 21.096 1.00 27.56 C ATOM 456 C GLY A 51 31.855 -11.427 20.024 1.00 27.61 C ATOM 457 O GLY A 51 32.964 -11.611 19.539 1.00 27.55 O ATOM 458 H GLY A 51 29.986 -9.082 20.638 1.00 0.00 H ATOM 459 N SER A 52 30.773 -12.090 19.623 1.00 27.65 N ATOM 460 CA SER A 52 30.827 -13.292 18.788 1.00 28.78 C ATOM 461 C SER A 52 30.708 -12.935 17.290 1.00 29.19 C ATOM 462 O SER A 52 29.932 -12.040 16.937 1.00 29.97 O ATOM 463 CB SER A 52 29.707 -14.260 19.250 1.00 29.35 C ATOM 464 OG SER A 52 28.815 -14.618 18.206 1.00 29.59 O ATOM 465 HG SER A 52 28.380 -13.803 17.851 1.00 0.00 H ATOM 466 H SER A 52 29.841 -11.736 19.918 1.00 0.00 H ATOM 467 N SER A 53 31.454 -13.619 16.413 1.00 29.05 N ATOM 468 CA SER A 53 31.364 -13.361 14.945 1.00 30.62 C ATOM 469 C SER A 53 30.261 -14.159 14.200 1.00 30.22 C ATOM 470 O SER A 53 30.236 -14.201 12.962 1.00 30.74 O ATOM 471 CB SER A 53 32.737 -13.471 14.228 1.00 30.56 C ATOM 472 OG SER A 53 33.754 -13.985 15.053 1.00 33.13 O ATOM 473 HG SER A 53 34.601 -14.031 14.542 1.00 0.00 H ATOM 474 H SER A 53 32.111 -14.346 16.762 1.00 0.00 H ATOM 475 N GLU A 54 29.352 -14.777 14.949 1.00 30.30 N ATOM 476 CA GLU A 54 28.161 -15.398 14.378 1.00 31.87 C ATOM 477 C GLU A 54 27.350 -14.340 13.603 1.00 31.25 C ATOM 478 O GLU A 54 27.321 -13.177 14.030 1.00 29.06 O ATOM 479 CB GLU A 54 27.307 -16.047 15.495 1.00 33.58 C ATOM 480 CG GLU A 54 25.916 -16.505 15.069 1.00 36.11 C ATOM 481 CD GLU A 54 25.310 -17.558 15.979 1.00 37.39 C ATOM 482 OE1 GLU A 54 25.323 -17.383 17.215 1.00 39.25 O ATOM 483 OE2 GLU A 54 24.794 -18.560 15.441 1.00 40.91 O ATOM 484 H GLU A 54 29.495 -14.819 15.978 1.00 0.00 H ATOM 485 N PRO A 55 26.714 -14.732 12.463 1.00 31.33 N ATOM 486 CA PRO A 55 25.846 -13.843 11.673 1.00 29.53 C ATOM 487 C PRO A 55 25.035 -12.815 12.462 1.00 26.96 C ATOM 488 O PRO A 55 24.322 -13.174 13.411 1.00 27.12 O ATOM 489 CB PRO A 55 24.918 -14.834 10.965 1.00 30.43 C ATOM 490 CG PRO A 55 25.776 -16.048 10.749 1.00 30.79 C ATOM 491 CD PRO A 55 26.929 -15.999 11.723 1.00 31.43 C ATOM 492 N CYS A 56 25.183 -11.544 12.090 1.00 25.76 N ATOM 493 CA CYS A 56 24.442 -10.440 12.718 1.00 24.60 C ATOM 494 C CYS A 56 24.222 -9.289 11.735 1.00 24.35 C ATOM 495 O CYS A 56 24.771 -9.287 10.624 1.00 22.52 O ATOM 496 CB CYS A 56 25.182 -9.940 13.965 1.00 24.42 C ATOM 497 SG CYS A 56 26.797 -9.208 13.632 1.00 23.77 S ATOM 498 H CYS A 56 25.850 -11.324 11.323 1.00 0.00 H ATOM 499 N ALA A 57 23.428 -8.307 12.158 1.00 24.66 N ATOM 500 CA ALA A 57 23.059 -7.197 11.294 1.00 24.69 C ATOM 501 C ALA A 57 22.813 -5.914 12.074 1.00 24.61 C ATOM 502 O ALA A 57 22.130 -5.945 13.094 1.00 24.24 O ATOM 503 CB ALA A 57 21.820 -7.563 10.499 1.00 25.64 C ATOM 504 H ALA A 57 23.062 -8.335 13.131 1.00 0.00 H ATOM 505 N LEU A 58 23.376 -4.804 11.585 1.00 23.98 N ATOM 506 CA LEU A 58 23.131 -3.477 12.131 1.00 25.30 C ATOM 507 C LEU A 58 22.409 -2.641 11.090 1.00 26.41 C ATOM 508 O LEU A 58 22.966 -2.347 10.030 1.00 26.92 O ATOM 509 CB LEU A 58 24.437 -2.791 12.531 1.00 25.06 C ATOM 510 CG LEU A 58 25.272 -3.521 13.572 1.00 25.50 C ATOM 511 CD1 LEU A 58 26.444 -2.630 13.950 1.00 26.95 C ATOM 512 CD2 LEU A 58 24.464 -3.913 14.804 1.00 26.04 C ATOM 513 H LEU A 58 24.021 -4.893 10.774 1.00 0.00 H ATOM 514 N CYS A 59 21.175 -2.259 11.411 1.00 26.54 N ATOM 515 CA CYS A 59 20.254 -1.687 10.448 1.00 26.64 C ATOM 516 C CYS A 59 19.725 -0.330 10.846 1.00 25.65 C ATOM 517 O CYS A 59 19.798 0.075 12.010 1.00 24.99 O ATOM 518 CB CYS A 59 19.077 -2.630 10.240 1.00 27.34 C ATOM 519 SG CYS A 59 19.611 -4.288 9.806 1.00 29.40 S ATOM 520 H CYS A 59 20.858 -2.376 12.395 1.00 0.00 H ATOM 521 N SER A 60 19.148 0.343 9.855 1.00 25.42 N ATOM 522 CA SER A 60 18.714 1.724 9.984 1.00 25.39 C ATOM 523 C SER A 60 17.483 1.968 9.122 1.00 24.96 C ATOM 524 O SER A 60 17.532 1.705 7.933 1.00 25.03 O ATOM 525 CB SER A 60 19.857 2.636 9.525 1.00 25.66 C ATOM 526 OG SER A 60 19.909 3.802 10.307 1.00 26.31 O ATOM 527 HG SER A 60 20.653 4.375 9.994 1.00 0.00 H ATOM 528 H SER A 60 19.001 -0.141 8.946 1.00 0.00 H ATOM 529 N LEU A 61 16.389 2.451 9.714 1.00 24.82 N ATOM 530 CA LEU A 61 15.230 2.918 8.953 1.00 24.43 C ATOM 531 C LEU A 61 15.028 4.403 9.223 1.00 25.10 C ATOM 532 O LEU A 61 14.733 4.786 10.357 1.00 25.25 O ATOM 533 CB LEU A 61 13.966 2.165 9.331 1.00 24.44 C ATOM 534 CG LEU A 61 12.754 2.482 8.436 1.00 24.72 C ATOM 535 CD1 LEU A 61 12.804 1.668 7.151 1.00 24.60 C ATOM 536 CD2 LEU A 61 11.424 2.261 9.154 1.00 24.99 C ATOM 537 H LEU A 61 16.359 2.497 10.753 1.00 0.00 H ATOM 538 N HIS A 62 15.188 5.229 8.186 1.00 25.15 N ATOM 539 CA HIS A 62 14.922 6.665 8.277 1.00 25.28 C ATOM 540 C HIS A 62 13.603 6.934 7.592 1.00 26.49 C ATOM 541 O HIS A 62 13.377 6.482 6.475 1.00 26.63 O ATOM 542 CB HIS A 62 16.022 7.486 7.604 1.00 24.75 C ATOM 543 CG HIS A 62 17.313 7.503 8.359 1.00 24.19 C ATOM 544 ND1 HIS A 62 18.206 6.455 8.333 1.00 24.18 N ATOM 545 CD2 HIS A 62 17.862 8.443 9.159 1.00 23.70 C ATOM 546 CE1 HIS A 62 19.251 6.753 9.080 1.00 23.60 C ATOM 547 NE2 HIS A 62 19.066 7.953 9.592 1.00 23.75 N ATOM 548 H HIS A 62 15.514 4.837 7.280 1.00 0.00 H ATOM 549 N SER A 63 12.730 7.674 8.260 1.00 29.19 N ATOM 550 CA SER A 63 11.447 8.036 7.674 1.00 31.07 C ATOM 551 C SER A 63 11.073 9.477 8.016 1.00 32.84 C ATOM 552 O SER A 63 11.423 9.965 9.101 1.00 32.29 O ATOM 553 CB SER A 63 10.384 7.070 8.161 1.00 30.27 C ATOM 554 OG SER A 63 9.323 7.058 7.242 1.00 33.07 O ATOM 555 HG SER A 63 8.625 6.429 7.554 1.00 0.00 H ATOM 556 H SER A 63 12.965 8.002 9.219 1.00 0.00 H ATOM 557 N ILE A 64 10.394 10.161 7.088 1.00 35.51 N ATOM 558 CA ILE A 64 9.817 11.493 7.359 1.00 38.61 C ATOM 559 C ILE A 64 8.394 11.309 7.898 1.00 40.05 C ATOM 560 O ILE A 64 7.458 11.112 7.124 1.00 37.45 O ATOM 561 CB ILE A 64 9.823 12.395 6.107 1.00 40.37 C ATOM 562 CG1 ILE A 64 11.224 12.456 5.494 1.00 40.46 C ATOM 563 CG2 ILE A 64 9.338 13.805 6.450 1.00 41.92 C ATOM 564 CD1 ILE A 64 11.312 13.325 4.257 1.00 42.42 C ATOM 565 H ILE A 64 10.268 9.741 6.145 1.00 0.00 H ATOM 566 N GLY A 65 8.251 11.349 9.226 1.00 45.73 N ATOM 567 CA GLY A 65 6.993 10.984 9.911 1.00 51.45 C ATOM 568 C GLY A 65 6.765 9.472 10.020 1.00 57.03 C ATOM 569 O GLY A 65 7.578 8.679 9.532 1.00 57.45 O ATOM 570 H GLY A 65 9.061 11.651 9.804 1.00 0.00 H ATOM 571 N LYS A 66 5.659 9.082 10.666 1.00 62.57 N ATOM 572 CA LYS A 66 5.225 7.661 10.812 1.00 65.77 C ATOM 573 C LYS A 66 6.248 6.729 11.512 1.00 66.50 C ATOM 574 O LYS A 66 6.599 5.644 11.004 1.00 65.35 O ATOM 575 CB LYS A 66 4.770 7.066 9.461 1.00 66.45 C ATOM 576 CG LYS A 66 3.501 7.689 8.893 1.00 67.06 C ATOM 577 CD LYS A 66 2.796 6.742 7.930 1.00 67.94 C ATOM 578 CE LYS A 66 1.571 7.398 7.314 1.00 69.60 C ATOM 579 NZ LYS A 66 0.798 6.461 6.455 1.00 70.72 N ATOM 580 HZ1 LYS A 66 1.405 6.121 5.681 1.00 0.00 H ATOM 581 HZ2 LYS A 66 0.478 5.653 7.026 1.00 0.00 H ATOM 582 HZ3 LYS A 66 -0.027 6.956 6.059 1.00 0.00 H ATOM 583 H LYS A 66 5.062 9.818 11.095 1.00 0.00 H ATOM 584 N ILE A 67 6.703 7.173 12.685 1.00 64.52 N ATOM 585 CA ILE A 67 7.649 6.430 13.527 1.00 61.08 C ATOM 586 C ILE A 67 7.172 6.564 14.981 1.00 60.30 C ATOM 587 O ILE A 67 6.896 7.669 15.447 1.00 56.87 O ATOM 588 CB ILE A 67 9.115 6.956 13.349 1.00 59.30 C ATOM 589 CG1 ILE A 67 9.676 6.623 11.947 1.00 59.80 C ATOM 590 CG2 ILE A 67 10.063 6.423 14.422 1.00 57.07 C ATOM 591 CD1 ILE A 67 9.882 5.147 11.634 1.00 58.95 C ATOM 592 H ILE A 67 6.369 8.098 13.022 1.00 0.00 H ATOM 593 N GLY A 68 7.057 5.432 15.676 1.00 61.19 N ATOM 594 CA GLY A 68 6.707 5.407 17.104 1.00 62.25 C ATOM 595 C GLY A 68 6.606 3.989 17.655 1.00 60.92 C ATOM 596 O GLY A 68 7.027 3.039 16.996 1.00 59.50 O ATOM 597 H GLY A 68 7.222 4.529 15.188 1.00 0.00 H ATOM 598 N GLY A 69 6.040 3.848 18.855 1.00 58.84 N ATOM 599 CA GLY A 69 5.916 2.543 19.531 1.00 56.85 C ATOM 600 C GLY A 69 5.467 1.366 18.666 1.00 53.37 C ATOM 601 O GLY A 69 6.277 0.498 18.314 1.00 50.43 O ATOM 602 H GLY A 69 5.671 4.694 19.334 1.00 0.00 H ATOM 603 N ALA A 70 4.185 1.361 18.304 1.00 52.61 N ATOM 604 CA ALA A 70 3.542 0.208 17.647 1.00 52.67 C ATOM 605 C ALA A 70 4.066 -0.078 16.233 1.00 50.96 C ATOM 606 O ALA A 70 4.315 -1.238 15.879 1.00 49.70 O ATOM 607 CB ALA A 70 2.025 0.388 17.624 1.00 51.50 C ATOM 608 H ALA A 70 3.612 2.208 18.493 1.00 0.00 H ATOM 609 N GLN A 71 4.224 0.980 15.439 1.00 49.95 N ATOM 610 CA GLN A 71 4.770 0.875 14.077 1.00 47.36 C ATOM 611 C GLN A 71 6.189 0.287 14.032 1.00 41.81 C ATOM 612 O GLN A 71 6.457 -0.607 13.236 1.00 41.25 O ATOM 613 CB GLN A 71 4.745 2.247 13.397 1.00 51.31 C ATOM 614 CG GLN A 71 3.342 2.703 13.004 1.00 53.84 C ATOM 615 CD GLN A 71 3.150 4.203 13.139 1.00 55.32 C ATOM 616 OE1 GLN A 71 3.289 4.949 12.168 1.00 57.33 O ATOM 617 NE2 GLN A 71 2.843 4.653 14.350 1.00 53.48 N ATOM 618 HE22 GLN A 71 2.736 3.986 15.141 1.00 0.00 H ATOM 619 HE21 GLN A 71 2.710 5.672 14.508 1.00 0.00 H ATOM 620 H GLN A 71 3.950 1.918 15.796 1.00 0.00 H ATOM 621 N ASN A 72 7.075 0.772 14.901 1.00 38.28 N ATOM 622 CA ASN A 72 8.462 0.275 14.979 1.00 36.73 C ATOM 623 C ASN A 72 8.564 -1.204 15.418 1.00 36.29 C ATOM 624 O ASN A 72 9.506 -1.902 15.018 1.00 35.20 O ATOM 625 CB ASN A 72 9.316 1.152 15.917 1.00 35.30 C ATOM 626 CG ASN A 72 9.495 2.576 15.410 1.00 33.78 C ATOM 627 OD1 ASN A 72 9.098 2.920 14.289 1.00 32.78 O ATOM 628 ND2 ASN A 72 10.090 3.419 16.249 1.00 31.70 N ATOM 629 HD22 ASN A 72 10.408 3.087 17.182 1.00 0.00 H ATOM 630 HD21 ASN A 72 10.237 4.411 15.972 1.00 0.00 H ATOM 631 H ASN A 72 6.778 1.529 15.549 1.00 0.00 H ATOM 632 N ARG A 73 7.616 -1.670 16.239 1.00 36.11 N ATOM 633 CA ARG A 73 7.500 -3.114 16.554 1.00 37.40 C ATOM 634 C ARG A 73 7.132 -3.967 15.317 1.00 34.73 C ATOM 635 O ARG A 73 7.725 -5.023 15.100 1.00 34.62 O ATOM 636 CB ARG A 73 6.519 -3.363 17.718 1.00 40.16 C ATOM 637 CG ARG A 73 7.038 -2.870 19.066 1.00 44.00 C ATOM 638 CD ARG A 73 6.101 -3.202 20.227 1.00 47.82 C ATOM 639 NE ARG A 73 5.047 -2.192 20.409 1.00 51.09 N ATOM 640 CZ ARG A 73 5.144 -1.065 21.130 1.00 51.74 C ATOM 641 NH1 ARG A 73 6.266 -0.732 21.778 1.00 51.08 N ATOM 642 NH2 ARG A 73 4.095 -0.243 21.197 1.00 52.82 N ATOM 643 HE ARG A 73 4.139 -2.369 19.933 1.00 0.00 H ATOM 644 HH12 ARG A 73 6.307 0.150 22.328 1.00 0.00 H ATOM 645 HH11 ARG A 73 7.098 -1.355 21.732 1.00 0.00 H ATOM 646 HH22 ARG A 73 4.156 0.634 21.752 1.00 0.00 H ATOM 647 HH21 ARG A 73 3.216 -0.479 20.694 1.00 0.00 H ATOM 648 H ARG A 73 6.943 -1.002 16.667 1.00 0.00 H ATOM 649 N SER A 74 6.242 -3.441 14.504 1.00 34.04 N ATOM 650 CA SER A 74 5.833 -4.176 13.269 1.00 34.11 C ATOM 651 C SER A 74 6.975 -4.267 12.234 1.00 34.31 C ATOM 652 O SER A 74 7.243 -5.316 11.610 1.00 33.09 O ATOM 653 CB SER A 74 4.625 -3.500 12.616 1.00 33.82 C ATOM 654 OG SER A 74 3.555 -3.369 13.532 1.00 34.18 O ATOM 655 HG SER A 74 3.847 -2.820 14.302 1.00 0.00 H ATOM 656 H SER A 74 5.823 -2.514 14.721 1.00 0.00 H ATOM 657 N TYR A 75 7.609 -3.128 12.081 1.00 34.96 N ATOM 658 CA TYR A 75 8.746 -3.039 11.157 1.00 37.10 C ATOM 659 C TYR A 75 9.881 -3.938 11.630 1.00 35.62 C ATOM 660 O TYR A 75 10.501 -4.631 10.817 1.00 36.73 O ATOM 661 CB TYR A 75 9.261 -1.598 10.993 1.00 39.53 C ATOM 662 CG TYR A 75 8.238 -0.557 10.556 1.00 41.53 C ATOM 663 CD1 TYR A 75 7.114 -0.899 9.790 1.00 44.22 C ATOM 664 CD2 TYR A 75 8.416 0.786 10.892 1.00 44.02 C ATOM 665 CE1 TYR A 75 6.191 0.067 9.401 1.00 47.55 C ATOM 666 CE2 TYR A 75 7.506 1.755 10.500 1.00 46.38 C ATOM 667 CZ TYR A 75 6.398 1.394 9.759 1.00 47.04 C ATOM 668 OH TYR A 75 5.505 2.360 9.379 1.00 51.77 O ATOM 669 HH TYR A 75 4.773 1.944 8.859 1.00 0.00 H ATOM 670 H TYR A 75 7.306 -2.288 12.615 1.00 0.00 H ATOM 671 N SER A 76 10.123 -3.953 12.937 1.00 33.99 N ATOM 672 CA SER A 76 11.121 -4.852 13.511 1.00 35.24 C ATOM 673 C SER A 76 10.799 -6.319 13.182 1.00 36.65 C ATOM 674 O SER A 76 11.665 -7.049 12.670 1.00 33.93 O ATOM 675 CB SER A 76 11.237 -4.648 15.024 1.00 35.69 C ATOM 676 OG SER A 76 11.689 -3.337 15.322 1.00 35.31 O ATOM 677 HG SER A 76 11.047 -2.677 14.959 1.00 0.00 H ATOM 678 H SER A 76 9.592 -3.313 13.562 1.00 0.00 H ATOM 679 N LYS A 77 9.548 -6.719 13.432 1.00 36.82 N ATOM 680 CA LYS A 77 9.082 -8.084 13.143 1.00 37.58 C ATOM 681 C LYS A 77 9.241 -8.454 11.665 1.00 36.41 C ATOM 682 O LYS A 77 9.713 -9.543 11.337 1.00 36.53 O ATOM 683 CB LYS A 77 7.611 -8.246 13.565 1.00 41.06 C ATOM 684 CG LYS A 77 7.100 -9.680 13.507 1.00 43.30 C ATOM 685 CD LYS A 77 5.669 -9.812 14.000 1.00 44.39 C ATOM 686 CE LYS A 77 5.278 -11.281 14.098 1.00 46.22 C ATOM 687 NZ LYS A 77 3.807 -11.455 14.258 1.00 47.03 N ATOM 688 HZ1 LYS A 77 3.495 -10.976 15.127 1.00 0.00 H ATOM 689 HZ2 LYS A 77 3.319 -11.042 13.438 1.00 0.00 H ATOM 690 HZ3 LYS A 77 3.584 -12.469 14.321 1.00 0.00 H ATOM 691 H LYS A 77 8.879 -6.039 13.847 1.00 0.00 H ATOM 692 N LEU A 78 8.844 -7.537 10.787 1.00 36.20 N ATOM 693 CA LEU A 78 8.900 -7.743 9.328 1.00 35.26 C ATOM 694 C LEU A 78 10.324 -7.929 8.797 1.00 34.46 C ATOM 695 O LEU A 78 10.576 -8.817 7.968 1.00 34.15 O ATOM 696 CB LEU A 78 8.285 -6.530 8.630 1.00 35.80 C ATOM 697 CG LEU A 78 8.160 -6.545 7.111 1.00 36.57 C ATOM 698 CD1 LEU A 78 7.178 -7.617 6.680 1.00 38.54 C ATOM 699 CD2 LEU A 78 7.717 -5.176 6.615 1.00 37.59 C ATOM 700 H LEU A 78 8.477 -6.633 11.146 1.00 0.00 H ATOM 701 N LEU A 79 11.229 -7.073 9.275 1.00 32.52 N ATOM 702 CA LEU A 79 12.594 -6.977 8.769 1.00 31.60 C ATOM 703 C LEU A 79 13.508 -8.036 9.404 1.00 30.90 C ATOM 704 O LEU A 79 14.347 -8.617 8.716 1.00 29.49 O ATOM 705 CB LEU A 79 13.150 -5.565 9.008 1.00 31.21 C ATOM 706 CG LEU A 79 12.427 -4.402 8.311 1.00 31.90 C ATOM 707 CD1 LEU A 79 12.781 -3.076 8.962 1.00 31.46 C ATOM 708 CD2 LEU A 79 12.734 -4.354 6.818 1.00 32.24 C ATOM 709 H LEU A 79 10.946 -6.440 10.050 1.00 0.00 H ATOM 710 N CYS A 80 13.356 -8.274 10.709 1.00 31.14 N ATOM 711 CA CYS A 80 13.986 -9.440 11.365 1.00 30.74 C ATOM 712 C CYS A 80 13.592 -10.726 10.643 1.00 30.85 C ATOM 713 O CYS A 80 14.461 -11.500 10.225 1.00 32.18 O ATOM 714 CB CYS A 80 13.582 -9.534 12.835 1.00 30.35 C ATOM 715 SG CYS A 80 14.335 -8.300 13.917 1.00 28.54 S ATOM 716 H CYS A 80 12.780 -7.622 11.279 1.00 0.00 H ATOM 717 N GLY A 81 12.282 -10.913 10.457 1.00 31.31 N ATOM 718 CA GLY A 81 11.735 -12.034 9.683 1.00 31.24 C ATOM 719 C GLY A 81 12.358 -12.193 8.308 1.00 31.25 C ATOM 720 O GLY A 81 12.723 -13.302 7.915 1.00 33.28 O ATOM 721 H GLY A 81 11.619 -10.233 10.880 1.00 0.00 H ATOM 722 N LEU A 82 12.483 -11.079 7.588 1.00 31.27 N ATOM 723 CA LEU A 82 13.128 -11.043 6.264 1.00 32.30 C ATOM 724 C LEU A 82 14.632 -11.349 6.293 1.00 32.46 C ATOM 725 O LEU A 82 15.139 -12.033 5.414 1.00 32.46 O ATOM 726 CB LEU A 82 12.904 -9.676 5.588 1.00 32.56 C ATOM 727 CG LEU A 82 11.545 -9.523 4.905 1.00 34.04 C ATOM 728 CD1 LEU A 82 11.132 -8.057 4.771 1.00 33.80 C ATOM 729 CD2 LEU A 82 11.541 -10.239 3.550 1.00 34.12 C ATOM 730 H LEU A 82 12.107 -10.192 7.980 1.00 0.00 H ATOM 731 N LEU A 83 15.341 -10.815 7.281 1.00 33.35 N ATOM 732 CA LEU A 83 16.783 -11.077 7.426 1.00 35.65 C ATOM 733 C LEU A 83 17.072 -12.539 7.851 1.00 37.35 C ATOM 734 O LEU A 83 17.996 -13.183 7.323 1.00 35.02 O ATOM 735 CB LEU A 83 17.407 -10.073 8.403 1.00 35.27 C ATOM 736 CG LEU A 83 17.438 -8.625 7.890 1.00 35.03 C ATOM 737 CD1 LEU A 83 17.530 -7.645 9.045 1.00 35.28 C ATOM 738 CD2 LEU A 83 18.585 -8.396 6.914 1.00 36.36 C ATOM 739 H LEU A 83 14.866 -10.197 7.969 1.00 0.00 H ATOM 740 N ALA A 84 16.264 -13.049 8.785 1.00 39.94 N ATOM 741 CA ALA A 84 16.291 -14.472 9.172 1.00 41.75 C ATOM 742 C ALA A 84 15.969 -15.398 8.007 1.00 43.06 C ATOM 743 O ALA A 84 16.725 -16.315 7.725 1.00 40.92 O ATOM 744 CB ALA A 84 15.340 -14.733 10.336 1.00 39.87 C ATOM 745 H ALA A 84 15.588 -12.416 9.259 1.00 0.00 H ATOM 746 N GLU A 85 14.852 -15.143 7.336 1.00 46.05 N ATOM 747 CA GLU A 85 14.452 -15.907 6.148 1.00 49.78 C ATOM 748 C GLU A 85 15.527 -15.883 5.044 1.00 46.88 C ATOM 749 O GLU A 85 15.920 -16.931 4.540 1.00 47.51 O ATOM 750 CB GLU A 85 13.121 -15.348 5.607 1.00 54.70 C ATOM 751 CG GLU A 85 12.589 -15.964 4.309 1.00 59.24 C ATOM 752 CD GLU A 85 11.426 -16.918 4.513 1.00 64.06 C ATOM 753 OE1 GLU A 85 10.464 -16.552 5.228 1.00 68.03 O ATOM 754 OE2 GLU A 85 11.464 -18.027 3.933 1.00 67.53 O ATOM 755 H GLU A 85 14.236 -14.372 7.665 1.00 0.00 H ATOM 756 N ARG A 86 16.001 -14.697 4.679 1.00 44.49 N ATOM 757 CA ARG A 86 16.801 -14.537 3.464 1.00 44.90 C ATOM 758 C ARG A 86 18.307 -14.632 3.676 1.00 43.38 C ATOM 759 O ARG A 86 19.001 -15.142 2.805 1.00 42.68 O ATOM 760 CB ARG A 86 16.458 -13.217 2.758 1.00 47.21 C ATOM 761 CG ARG A 86 14.990 -13.062 2.347 1.00 47.49 C ATOM 762 CD ARG A 86 14.564 -14.019 1.236 1.00 47.16 C ATOM 763 NE ARG A 86 13.115 -13.979 1.023 1.00 48.74 N ATOM 764 CZ ARG A 86 12.404 -14.868 0.320 1.00 49.13 C ATOM 765 NH1 ARG A 86 12.991 -15.910 -0.274 1.00 47.49 N ATOM 766 NH2 ARG A 86 11.082 -14.709 0.210 1.00 47.62 N ATOM 767 HE ARG A 86 12.593 -13.190 1.456 1.00 0.00 H ATOM 768 HH12 ARG A 86 12.420 -16.589 -0.816 1.00 0.00 H ATOM 769 HH11 ARG A 86 14.020 -16.042 -0.195 1.00 0.00 H ATOM 770 HH22 ARG A 86 10.519 -15.394 -0.334 1.00 0.00 H ATOM 771 HH21 ARG A 86 10.616 -13.900 0.668 1.00 0.00 H ATOM 772 H ARG A 86 15.799 -13.865 5.269 1.00 0.00 H ATOM 773 N LEU A 87 18.810 -14.125 4.802 1.00 43.70 N ATOM 774 CA LEU A 87 20.259 -14.162 5.102 1.00 45.17 C ATOM 775 C LEU A 87 20.623 -15.091 6.263 1.00 45.53 C ATOM 776 O LEU A 87 21.803 -15.207 6.605 1.00 45.87 O ATOM 777 CB LEU A 87 20.799 -12.747 5.373 1.00 44.68 C ATOM 778 CG LEU A 87 20.401 -11.635 4.394 1.00 44.03 C ATOM 779 CD1 LEU A 87 21.053 -10.313 4.770 1.00 44.46 C ATOM 780 CD2 LEU A 87 20.757 -12.012 2.971 1.00 43.55 C ATOM 781 H LEU A 87 18.164 -13.690 5.491 1.00 0.00 H ATOM 782 N ARG A 88 19.626 -15.769 6.838 1.00 47.18 N ATOM 783 CA ARG A 88 19.826 -16.734 7.930 1.00 47.27 C ATOM 784 C ARG A 88 20.459 -16.082 9.174 1.00 44.44 C ATOM 785 O ARG A 88 21.256 -16.708 9.891 1.00 42.29 O ATOM 786 CB ARG A 88 20.588 -17.992 7.434 1.00 51.49 C ATOM 787 CG ARG A 88 19.730 -18.965 6.619 1.00 54.38 C ATOM 788 CD ARG A 88 20.558 -20.063 5.939 1.00 57.62 C ATOM 789 NE ARG A 88 21.395 -20.848 6.869 1.00 59.58 N ATOM 790 CZ ARG A 88 21.025 -21.951 7.538 1.00 58.19 C ATOM 791 NH1 ARG A 88 19.800 -22.465 7.419 1.00 56.22 N ATOM 792 NH2 ARG A 88 21.901 -22.554 8.347 1.00 55.89 N ATOM 793 HE ARG A 88 22.368 -20.513 7.020 1.00 0.00 H ATOM 794 HH12 ARG A 88 19.541 -23.321 7.950 1.00 0.00 H ATOM 795 HH11 ARG A 88 19.103 -22.010 6.795 1.00 0.00 H ATOM 796 HH22 ARG A 88 21.623 -23.409 8.869 1.00 0.00 H ATOM 797 HH21 ARG A 88 22.861 -22.168 8.454 1.00 0.00 H ATOM 798 H ARG A 88 18.658 -15.606 6.496 1.00 0.00 H ATOM 799 N ILE A 89 20.072 -14.826 9.425 1.00 38.65 N ATOM 800 CA ILE A 89 20.519 -14.085 10.601 1.00 36.09 C ATOM 801 C ILE A 89 19.444 -14.175 11.672 1.00 35.09 C ATOM 802 O ILE A 89 18.295 -13.826 11.428 1.00 34.72 O ATOM 803 CB ILE A 89 20.797 -12.594 10.296 1.00 34.24 C ATOM 804 CG1 ILE A 89 21.903 -12.458 9.237 1.00 33.14 C ATOM 805 CG2 ILE A 89 21.187 -11.859 11.581 1.00 33.57 C ATOM 806 CD1 ILE A 89 22.084 -11.055 8.699 1.00 32.15 C ATOM 807 H ILE A 89 19.427 -14.359 8.756 1.00 0.00 H ATOM 808 N SER A 90 19.833 -14.591 12.870 1.00 34.07 N ATOM 809 CA SER A 90 18.887 -14.763 13.965 1.00 35.09 C ATOM 810 C SER A 90 18.395 -13.385 14.427 1.00 34.39 C ATOM 811 O SER A 90 19.214 -12.481 14.578 1.00 36.65 O ATOM 812 CB SER A 90 19.541 -15.541 15.124 1.00 35.55 C ATOM 813 OG SER A 90 18.616 -15.807 16.172 1.00 37.02 O ATOM 814 HG SER A 90 18.268 -14.951 16.529 1.00 0.00 H ATOM 815 H SER A 90 20.839 -14.800 13.032 1.00 0.00 H ATOM 816 N PRO A 91 17.065 -13.215 14.629 1.00 33.72 N ATOM 817 CA PRO A 91 16.462 -11.971 15.142 1.00 33.50 C ATOM 818 C PRO A 91 17.153 -11.309 16.339 1.00 33.69 C ATOM 819 O PRO A 91 17.209 -10.080 16.398 1.00 33.17 O ATOM 820 CB PRO A 91 15.052 -12.411 15.535 1.00 33.29 C ATOM 821 CG PRO A 91 14.723 -13.486 14.564 1.00 33.42 C ATOM 822 CD PRO A 91 16.018 -14.192 14.258 1.00 34.03 C ATOM 823 N ASP A 92 17.666 -12.109 17.276 1.00 34.32 N ATOM 824 CA ASP A 92 18.343 -11.573 18.485 1.00 34.97 C ATOM 825 C ASP A 92 19.787 -11.064 18.246 1.00 32.23 C ATOM 826 O ASP A 92 20.432 -10.568 19.170 1.00 31.95 O ATOM 827 CB ASP A 92 18.277 -12.575 19.665 1.00 35.94 C ATOM 828 CG ASP A 92 18.902 -13.923 19.352 1.00 38.35 C ATOM 829 OD1 ASP A 92 19.293 -14.162 18.193 1.00 38.25 O ATOM 830 OD2 ASP A 92 18.982 -14.764 20.276 1.00 45.00 O ATOM 831 H ASP A 92 17.590 -13.139 17.156 1.00 0.00 H ATOM 832 N ARG A 93 20.274 -11.181 17.016 1.00 29.65 N ATOM 833 CA ARG A 93 21.518 -10.550 16.596 1.00 29.92 C ATOM 834 C ARG A 93 21.267 -9.507 15.477 1.00 28.96 C ATOM 835 O ARG A 93 22.147 -9.233 14.652 1.00 26.58 O ATOM 836 CB ARG A 93 22.502 -11.641 16.163 1.00 30.44 C ATOM 837 CG ARG A 93 22.822 -12.659 17.269 1.00 30.40 C ATOM 838 CD ARG A 93 23.645 -13.814 16.730 1.00 30.62 C ATOM 839 NE ARG A 93 24.948 -13.341 16.279 1.00 31.11 N ATOM 840 CZ ARG A 93 25.962 -13.018 17.084 1.00 32.82 C ATOM 841 NH1 ARG A 93 25.867 -13.121 18.423 1.00 31.96 N ATOM 842 NH2 ARG A 93 27.094 -12.571 16.547 1.00 33.47 N ATOM 843 HE ARG A 93 25.098 -13.248 15.254 1.00 0.00 H ATOM 844 HH12 ARG A 93 26.676 -12.861 19.023 1.00 0.00 H ATOM 845 HH11 ARG A 93 24.985 -13.460 18.857 1.00 0.00 H ATOM 846 HH22 ARG A 93 27.894 -12.315 17.160 1.00 0.00 H ATOM 847 HH21 ARG A 93 27.179 -12.478 15.515 1.00 0.00 H ATOM 848 H ARG A 93 19.745 -11.747 16.323 1.00 0.00 H ATOM 849 N VAL A 94 20.061 -8.930 15.467 1.00 28.29 N ATOM 850 CA VAL A 94 19.723 -7.815 14.589 1.00 28.56 C ATOM 851 C VAL A 94 19.386 -6.589 15.443 1.00 29.05 C ATOM 852 O VAL A 94 18.632 -6.694 16.412 1.00 28.79 O ATOM 853 CB VAL A 94 18.536 -8.155 13.658 1.00 28.77 C ATOM 854 CG1 VAL A 94 18.106 -6.922 12.857 1.00 29.09 C ATOM 855 CG2 VAL A 94 18.910 -9.299 12.723 1.00 28.05 C ATOM 856 H VAL A 94 19.331 -9.292 16.114 1.00 0.00 H ATOM 857 N TYR A 95 19.957 -5.436 15.083 1.00 28.64 N ATOM 858 CA TYR A 95 19.530 -4.144 15.631 1.00 28.78 C ATOM 859 C TYR A 95 19.010 -3.301 14.485 1.00 28.17 C ATOM 860 O TYR A 95 19.628 -3.270 13.430 1.00 27.33 O ATOM 861 CB TYR A 95 20.695 -3.397 16.285 1.00 29.79 C ATOM 862 CG TYR A 95 20.965 -3.662 17.758 1.00 30.10 C ATOM 863 CD1 TYR A 95 19.934 -3.748 18.691 1.00 30.49 C ATOM 864 CD2 TYR A 95 22.279 -3.761 18.227 1.00 31.34 C ATOM 865 CE1 TYR A 95 20.202 -3.957 20.036 1.00 31.35 C ATOM 866 CE2 TYR A 95 22.556 -3.967 19.568 1.00 31.09 C ATOM 867 CZ TYR A 95 21.516 -4.062 20.468 1.00 31.75 C ATOM 868 OH TYR A 95 21.784 -4.248 21.800 1.00 32.53 O ATOM 869 HH TYR A 95 22.286 -5.093 21.920 1.00 0.00 H ATOM 870 H TYR A 95 20.732 -5.455 14.390 1.00 0.00 H ATOM 871 N ILE A 96 17.877 -2.629 14.693 1.00 28.97 N ATOM 872 CA ILE A 96 17.319 -1.679 13.722 1.00 29.68 C ATOM 873 C ILE A 96 17.084 -0.345 14.418 1.00 30.10 C ATOM 874 O ILE A 96 16.259 -0.270 15.328 1.00 30.44 O ATOM 875 CB ILE A 96 15.975 -2.154 13.134 1.00 30.57 C ATOM 876 CG1 ILE A 96 16.105 -3.544 12.505 1.00 30.86 C ATOM 877 CG2 ILE A 96 15.477 -1.164 12.088 1.00 30.49 C ATOM 878 CD1 ILE A 96 14.789 -4.275 12.379 1.00 31.38 C ATOM 879 H ILE A 96 17.365 -2.785 15.585 1.00 0.00 H ATOM 880 N ASN A 97 17.809 0.698 14.003 1.00 30.43 N ATOM 881 CA ASN A 97 17.613 2.045 14.547 1.00 30.22 C ATOM 882 C ASN A 97 16.629 2.830 13.673 1.00 29.72 C ATOM 883 O ASN A 97 16.795 2.908 12.460 1.00 27.72 O ATOM 884 CB ASN A 97 18.946 2.813 14.658 1.00 31.42 C ATOM 885 CG ASN A 97 19.807 2.379 15.843 1.00 32.32 C ATOM 886 OD1 ASN A 97 21.028 2.425 15.767 1.00 33.94 O ATOM 887 ND2 ASN A 97 19.182 1.994 16.944 1.00 34.00 N ATOM 888 HD22 ASN A 97 18.143 1.968 16.970 1.00 0.00 H ATOM 889 HD21 ASN A 97 19.730 1.717 17.783 1.00 0.00 H ATOM 890 H ASN A 97 18.534 0.550 13.272 1.00 0.00 H ATOM 891 N TYR A 98 15.618 3.410 14.323 1.00 29.91 N ATOM 892 CA TYR A 98 14.548 4.168 13.682 1.00 28.95 C ATOM 893 C TYR A 98 14.750 5.665 13.916 1.00 28.36 C ATOM 894 O TYR A 98 15.048 6.103 15.027 1.00 26.51 O ATOM 895 CB TYR A 98 13.182 3.721 14.228 1.00 29.22 C ATOM 896 CG TYR A 98 12.894 2.278 13.920 1.00 29.93 C ATOM 897 CD1 TYR A 98 12.496 1.895 12.645 1.00 31.07 C ATOM 898 CD2 TYR A 98 13.049 1.278 14.887 1.00 30.22 C ATOM 899 CE1 TYR A 98 12.254 0.556 12.334 1.00 30.93 C ATOM 900 CE2 TYR A 98 12.797 -0.061 14.593 1.00 29.60 C ATOM 901 CZ TYR A 98 12.402 -0.421 13.317 1.00 30.02 C ATOM 902 OH TYR A 98 12.158 -1.743 13.000 1.00 29.52 O ATOM 903 HH TYR A 98 11.431 -2.091 13.576 1.00 0.00 H ATOM 904 H TYR A 98 15.591 3.315 15.358 1.00 0.00 H ATOM 905 N TYR A 99 14.591 6.441 12.853 1.00 27.84 N ATOM 906 CA TYR A 99 14.767 7.884 12.912 1.00 28.27 C ATOM 907 C TYR A 99 13.582 8.567 12.233 1.00 29.28 C ATOM 908 O TYR A 99 13.141 8.149 11.152 1.00 28.92 O ATOM 909 CB TYR A 99 16.068 8.277 12.219 1.00 27.27 C ATOM 910 CG TYR A 99 17.279 7.641 12.842 1.00 26.22 C ATOM 911 CD1 TYR A 99 17.868 8.199 13.976 1.00 25.71 C ATOM 912 CD2 TYR A 99 17.838 6.474 12.310 1.00 25.25 C ATOM 913 CE1 TYR A 99 18.975 7.615 14.570 1.00 25.22 C ATOM 914 CE2 TYR A 99 18.949 5.882 12.894 1.00 24.79 C ATOM 915 CZ TYR A 99 19.515 6.453 14.026 1.00 25.26 C ATOM 916 OH TYR A 99 20.618 5.882 14.625 1.00 24.20 O ATOM 917 HH TYR A 99 21.366 5.855 13.978 1.00 0.00 H ATOM 918 H TYR A 99 14.332 6.003 11.946 1.00 0.00 H ATOM 919 N ASP A 100 13.064 9.597 12.893 1.00 30.53 N ATOM 920 CA ASP A 100 11.984 10.419 12.368 1.00 32.39 C ATOM 921 C ASP A 100 12.686 11.655 11.837 1.00 31.18 C ATOM 922 O ASP A 100 13.176 12.438 12.620 1.00 31.20 O ATOM 923 CB ASP A 100 10.975 10.747 13.490 1.00 34.43 C ATOM 924 CG ASP A 100 9.892 11.753 13.071 1.00 36.82 C ATOM 925 OD1 ASP A 100 9.463 11.774 11.894 1.00 37.75 O ATOM 926 OD2 ASP A 100 9.451 12.524 13.952 1.00 39.77 O ATOM 927 H ASP A 100 13.449 9.827 13.831 1.00 0.00 H ATOM 928 N MET A 101 12.790 11.787 10.512 1.00 31.81 N ATOM 929 CA MET A 101 13.433 12.952 9.889 1.00 31.33 C ATOM 930 C MET A 101 12.427 14.073 9.639 1.00 33.30 C ATOM 931 O MET A 101 11.368 13.871 9.056 1.00 33.44 O ATOM 932 CB MET A 101 14.105 12.592 8.556 1.00 30.39 C ATOM 933 CG MET A 101 15.281 11.628 8.646 1.00 30.03 C ATOM 934 SD MET A 101 16.644 12.198 9.682 1.00 30.04 S ATOM 935 CE MET A 101 17.288 13.568 8.730 1.00 28.43 C ATOM 936 H MET A 101 12.403 11.040 9.901 1.00 0.00 H ATOM 937 N ASN A 102 12.803 15.269 10.056 1.00 35.34 N ATOM 938 CA ASN A 102 12.035 16.467 9.798 1.00 36.83 C ATOM 939 C ASN A 102 12.277 16.853 8.319 1.00 37.82 C ATOM 940 O ASN A 102 13.422 16.770 7.851 1.00 39.48 O ATOM 941 CB ASN A 102 12.517 17.539 10.781 1.00 38.15 C ATOM 942 CG ASN A 102 11.450 18.515 11.150 1.00 41.28 C ATOM 943 OD1 ASN A 102 11.696 19.720 11.185 1.00 44.97 O ATOM 944 ND2 ASN A 102 10.251 18.011 11.445 1.00 42.22 N ATOM 945 HD22 ASN A 102 10.093 16.984 11.400 1.00 0.00 H ATOM 946 HD21 ASN A 102 9.474 18.645 11.720 1.00 0.00 H ATOM 947 H ASN A 102 13.690 15.353 10.593 1.00 0.00 H ATOM 948 N ALA A 103 11.224 17.252 7.587 1.00 36.26 N ATOM 949 CA ALA A 103 11.257 17.335 6.091 1.00 34.48 C ATOM 950 C ALA A 103 12.325 18.253 5.484 1.00 33.57 C ATOM 951 O ALA A 103 12.928 17.940 4.450 1.00 29.32 O ATOM 952 CB ALA A 103 9.898 17.747 5.556 1.00 34.85 C ATOM 953 H ALA A 103 10.347 17.515 8.080 1.00 0.00 H ATOM 954 N ALA A 104 12.528 19.392 6.133 1.00 35.26 N ATOM 955 CA ALA A 104 13.520 20.371 5.711 1.00 38.48 C ATOM 956 C ALA A 104 14.960 19.832 5.844 1.00 39.56 C ATOM 957 O ALA A 104 15.863 20.294 5.139 1.00 41.42 O ATOM 958 CB ALA A 104 13.353 21.658 6.511 1.00 38.39 C ATOM 959 H ALA A 104 11.955 19.594 6.977 1.00 0.00 H ATOM 960 N ASN A 105 15.158 18.847 6.727 1.00 38.75 N ATOM 961 CA ASN A 105 16.455 18.192 6.906 1.00 36.05 C ATOM 962 C ASN A 105 16.664 16.946 6.048 1.00 34.84 C ATOM 963 O ASN A 105 17.470 16.096 6.420 1.00 35.79 O ATOM 964 CB ASN A 105 16.656 17.846 8.386 1.00 34.90 C ATOM 965 CG ASN A 105 16.589 19.066 9.282 1.00 32.93 C ATOM 966 OD1 ASN A 105 16.859 20.184 8.853 1.00 33.84 O ATOM 967 ND2 ASN A 105 16.229 18.855 10.529 1.00 31.99 N ATOM 968 HD22 ASN A 105 16.009 17.891 10.851 1.00 0.00 H ATOM 969 HD21 ASN A 105 16.164 19.652 11.194 1.00 0.00 H ATOM 970 H ASN A 105 14.357 18.533 7.311 1.00 0.00 H ATOM 971 N VAL A 106 15.976 16.838 4.903 1.00 32.32 N ATOM 972 CA VAL A 106 16.237 15.763 3.939 1.00 31.63 C ATOM 973 C VAL A 106 16.360 16.318 2.502 1.00 32.48 C ATOM 974 O VAL A 106 15.358 16.620 1.844 1.00 32.86 O ATOM 975 CB VAL A 106 15.157 14.655 4.012 1.00 30.76 C ATOM 976 CG1 VAL A 106 15.504 13.506 3.086 1.00 30.66 C ATOM 977 CG2 VAL A 106 14.995 14.145 5.437 1.00 30.43 C ATOM 978 H VAL A 106 15.235 17.537 4.691 1.00 0.00 H ATOM 979 N GLY A 107 17.596 16.444 2.025 1.00 31.83 N ATOM 980 CA GLY A 107 17.870 16.889 0.666 1.00 31.70 C ATOM 981 C GLY A 107 17.492 15.896 -0.422 1.00 31.31 C ATOM 982 O GLY A 107 17.631 14.691 -0.241 1.00 30.44 O ATOM 983 H GLY A 107 18.397 16.216 2.647 1.00 0.00 H ATOM 984 N TRP A 108 17.007 16.416 -1.552 1.00 31.63 N ATOM 985 CA TRP A 108 16.654 15.608 -2.731 1.00 31.85 C ATOM 986 C TRP A 108 16.449 16.511 -3.954 1.00 32.40 C ATOM 987 O TRP A 108 15.885 17.597 -3.834 1.00 33.28 O ATOM 988 CB TRP A 108 15.385 14.765 -2.467 1.00 31.69 C ATOM 989 CG TRP A 108 14.894 13.959 -3.666 1.00 30.76 C ATOM 990 CD1 TRP A 108 15.515 12.896 -4.257 1.00 31.43 C ATOM 991 CD2 TRP A 108 13.691 14.171 -4.402 1.00 31.20 C ATOM 992 NE1 TRP A 108 14.775 12.430 -5.319 1.00 30.46 N ATOM 993 CE2 TRP A 108 13.646 13.194 -5.429 1.00 31.95 C ATOM 994 CE3 TRP A 108 12.636 15.092 -4.300 1.00 32.21 C ATOM 995 CZ2 TRP A 108 12.587 13.114 -6.347 1.00 32.00 C ATOM 996 CZ3 TRP A 108 11.578 15.006 -5.219 1.00 31.21 C ATOM 997 CH2 TRP A 108 11.571 14.030 -6.226 1.00 31.38 C ATOM 998 HE1 TRP A 108 15.031 11.632 -5.934 1.00 0.00 H ATOM 999 H TRP A 108 16.871 17.446 -1.602 1.00 0.00 H ATOM 1000 N ASN A 109 16.924 16.053 -5.110 1.00 33.95 N ATOM 1001 CA ASN A 109 16.740 16.730 -6.398 1.00 36.52 C ATOM 1002 C ASN A 109 16.991 18.244 -6.345 1.00 36.82 C ATOM 1003 O ASN A 109 16.087 19.033 -6.614 1.00 35.34 O ATOM 1004 CB ASN A 109 15.341 16.385 -6.942 1.00 38.27 C ATOM 1005 CG ASN A 109 15.221 16.526 -8.463 1.00 38.42 C ATOM 1006 OD1 ASN A 109 16.165 16.907 -9.153 1.00 39.26 O ATOM 1007 ND2 ASN A 109 14.043 16.190 -8.992 1.00 38.77 N ATOM 1008 HD22 ASN A 109 13.268 15.872 -8.376 1.00 0.00 H ATOM 1009 HD21 ASN A 109 13.900 16.246 -10.021 1.00 0.00 H ATOM 1010 H ASN A 109 17.458 15.161 -5.099 1.00 0.00 H ATOM 1011 N ASN A 110 18.227 18.616 -5.974 1.00 37.85 N ATOM 1012 CA ASN A 110 18.701 20.020 -5.833 1.00 36.88 C ATOM 1013 C ASN A 110 17.988 20.889 -4.773 1.00 37.92 C ATOM 1014 O ASN A 110 18.184 22.106 -4.748 1.00 38.78 O ATOM 1015 CB ASN A 110 18.680 20.760 -7.182 1.00 37.31 C ATOM 1016 CG ASN A 110 19.494 20.063 -8.249 1.00 39.85 C ATOM 1017 OD1 ASN A 110 20.608 19.606 -8.001 1.00 40.88 O ATOM 1018 ND2 ASN A 110 18.947 19.996 -9.458 1.00 41.26 N ATOM 1019 HD22 ASN A 110 18.001 20.396 -9.624 1.00 0.00 H ATOM 1020 HD21 ASN A 110 19.464 19.544 -10.239 1.00 0.00 H ATOM 1021 H ASN A 110 18.910 17.860 -5.768 1.00 0.00 H ATOM 1022 N SER A 111 17.189 20.288 -3.895 1.00 38.52 N ATOM 1023 CA SER A 111 16.431 21.050 -2.890 1.00 40.21 C ATOM 1024 C SER A 111 16.147 20.169 -1.670 1.00 39.76 C ATOM 1025 O SER A 111 16.833 19.175 -1.473 1.00 41.91 O ATOM 1026 CB SER A 111 15.124 21.567 -3.510 1.00 41.23 C ATOM 1027 OG SER A 111 14.435 22.421 -2.611 1.00 41.42 O ATOM 1028 HG SER A 111 13.599 22.739 -3.035 1.00 0.00 H ATOM 1029 H SER A 111 17.098 19.252 -3.920 1.00 0.00 H ATOM 1030 N THR A 112 15.155 20.533 -0.854 1.00 39.96 N ATOM 1031 CA THR A 112 14.683 19.681 0.230 1.00 39.82 C ATOM 1032 C THR A 112 13.171 19.451 0.151 1.00 43.11 C ATOM 1033 O THR A 112 12.458 20.084 -0.648 1.00 46.11 O ATOM 1034 CB THR A 112 15.018 20.273 1.603 1.00 38.89 C ATOM 1035 OG1 THR A 112 14.259 21.462 1.799 1.00 37.85 O ATOM 1036 CG2 THR A 112 16.498 20.584 1.718 1.00 39.42 C ATOM 1037 HG1 THR A 112 14.474 21.847 2.686 1.00 0.00 H ATOM 1038 H THR A 112 14.703 21.458 -0.997 1.00 0.00 H ATOM 1039 N PHE A 113 12.698 18.536 0.995 1.00 42.40 N ATOM 1040 CA PHE A 113 11.284 18.184 1.064 1.00 42.19 C ATOM 1041 C PHE A 113 10.472 19.288 1.755 1.00 44.52 C ATOM 1042 O PHE A 113 10.850 19.768 2.835 1.00 42.93 O ATOM 1043 CB PHE A 113 11.079 16.822 1.769 1.00 39.65 C ATOM 1044 CG PHE A 113 11.362 15.632 0.891 1.00 37.35 C ATOM 1045 CD1 PHE A 113 10.466 15.257 -0.105 1.00 36.94 C ATOM 1046 CD2 PHE A 113 12.525 14.881 1.054 1.00 35.91 C ATOM 1047 CE1 PHE A 113 10.727 14.161 -0.923 1.00 36.59 C ATOM 1048 CE2 PHE A 113 12.790 13.790 0.239 1.00 35.35 C ATOM 1049 CZ PHE A 113 11.891 13.422 -0.748 1.00 35.72 C ATOM 1050 H PHE A 113 13.364 18.053 1.631 1.00 0.00 H ATOM 1051 N ALA A 114 9.407 19.718 1.065 1.00 47.22 N ATOM 1052 CA ALA A 114 8.251 20.431 1.641 1.00 49.35 C ATOM 1053 C ALA A 114 8.541 21.593 2.600 1.00 53.06 C ATOM 1054 O ALA A 114 9.028 22.644 2.177 1.00 54.96 O ATOM 1055 CB ALA A 114 7.332 19.426 2.301 1.00 46.46 C ATOM 1056 OXT ALA A 114 8.266 21.523 3.806 1.00 54.92 O ATOM 1057 H ALA A 114 9.394 19.534 0.041 1.00 0.00 H TER 1058 ALA A 114 ATOM 1059 N PRO B 1 24.568 -1.254 23.515 1.00 38.00 N ATOM 1060 CA PRO B 1 25.383 -0.241 22.844 1.00 36.84 C ATOM 1061 C PRO B 1 25.915 -0.678 21.475 1.00 34.84 C ATOM 1062 O PRO B 1 26.218 -1.848 21.278 1.00 39.79 O ATOM 1063 CB PRO B 1 26.519 -0.023 23.837 1.00 36.85 C ATOM 1064 CG PRO B 1 25.892 -0.287 25.176 1.00 37.06 C ATOM 1065 CD PRO B 1 24.637 -1.099 24.978 1.00 37.66 C ATOM 1066 HN2 PRO B 1 24.917 -2.199 23.256 1.00 0.00 H ATOM 1067 HN1 PRO B 1 23.579 -1.154 23.208 1.00 0.00 H ATOM 1068 N MET B 2 26.004 0.255 20.538 1.00 31.83 N ATOM 1069 CA MET B 2 26.471 -0.025 19.183 1.00 32.34 C ATOM 1070 C MET B 2 27.605 0.947 18.873 1.00 30.83 C ATOM 1071 O MET B 2 27.429 2.139 19.023 1.00 32.97 O ATOM 1072 CB MET B 2 25.311 0.155 18.197 1.00 34.56 C ATOM 1073 CG MET B 2 25.642 -0.133 16.734 1.00 36.61 C ATOM 1074 SD MET B 2 24.356 0.371 15.566 1.00 39.32 S ATOM 1075 CE MET B 2 22.850 -0.051 16.440 1.00 38.27 C ATOM 1076 H MET B 2 25.729 1.229 20.778 1.00 0.00 H ATOM 1077 N PHE B 3 28.763 0.436 18.460 1.00 29.51 N ATOM 1078 CA PHE B 3 29.921 1.264 18.118 1.00 27.08 C ATOM 1079 C PHE B 3 30.413 0.912 16.717 1.00 26.08 C ATOM 1080 O PHE B 3 30.691 -0.249 16.425 1.00 26.02 O ATOM 1081 CB PHE B 3 31.033 1.042 19.132 1.00 26.89 C ATOM 1082 CG PHE B 3 32.262 1.877 18.891 1.00 27.15 C ATOM 1083 CD1 PHE B 3 32.188 3.259 18.883 1.00 27.78 C ATOM 1084 CD2 PHE B 3 33.501 1.279 18.695 1.00 27.02 C ATOM 1085 CE1 PHE B 3 33.326 4.029 18.678 1.00 28.48 C ATOM 1086 CE2 PHE B 3 34.643 2.036 18.494 1.00 27.19 C ATOM 1087 CZ PHE B 3 34.559 3.415 18.485 1.00 28.36 C ATOM 1088 H PHE B 3 28.849 -0.597 18.377 1.00 0.00 H ATOM 1089 N ILE B 4 30.546 1.923 15.862 1.00 23.96 N ATOM 1090 CA ILE B 4 30.936 1.731 14.473 1.00 23.09 C ATOM 1091 C ILE B 4 32.147 2.601 14.219 1.00 23.42 C ATOM 1092 O ILE B 4 32.142 3.755 14.632 1.00 23.13 O ATOM 1093 CB ILE B 4 29.797 2.150 13.505 1.00 23.28 C ATOM 1094 CG1 ILE B 4 28.503 1.397 13.852 1.00 22.73 C ATOM 1095 CG2 ILE B 4 30.205 1.934 12.040 1.00 22.63 C ATOM 1096 CD1 ILE B 4 27.281 1.903 13.121 1.00 22.93 C ATOM 1097 H ILE B 4 30.364 2.890 16.200 1.00 0.00 H ATOM 1098 N VAL B 5 33.173 2.041 13.560 1.00 23.50 N ATOM 1099 CA VAL B 5 34.397 2.749 13.173 1.00 23.47 C ATOM 1100 C VAL B 5 34.596 2.663 11.654 1.00 23.36 C ATOM 1101 O VAL B 5 34.701 1.552 11.133 1.00 22.90 O ATOM 1102 CB VAL B 5 35.632 2.077 13.833 1.00 23.74 C ATOM 1103 CG1 VAL B 5 36.932 2.775 13.422 1.00 23.00 C ATOM 1104 CG2 VAL B 5 35.467 2.002 15.348 1.00 23.89 C ATOM 1105 H VAL B 5 33.094 1.035 13.306 1.00 0.00 H ATOM 1106 N ASN B 6 34.665 3.801 10.962 1.00 23.12 N ATOM 1107 CA ASN B 6 35.066 3.842 9.558 1.00 23.02 C ATOM 1108 C ASN B 6 36.440 4.511 9.515 1.00 23.57 C ATOM 1109 O ASN B 6 36.669 5.485 10.218 1.00 24.43 O ATOM 1110 CB ASN B 6 34.067 4.635 8.718 1.00 22.43 C ATOM 1111 CG ASN B 6 32.639 4.168 8.913 1.00 21.95 C ATOM 1112 OD1 ASN B 6 31.948 4.632 9.823 1.00 22.38 O ATOM 1113 ND2 ASN B 6 32.183 3.279 8.056 1.00 21.03 N ATOM 1114 HD22 ASN B 6 32.803 2.916 7.304 1.00 0.00 H ATOM 1115 HD21 ASN B 6 31.203 2.940 8.131 1.00 0.00 H ATOM 1116 H ASN B 6 34.424 4.693 11.440 1.00 0.00 H ATOM 1117 N THR B 7 37.346 3.981 8.702 1.00 23.84 N ATOM 1118 CA THR B 7 38.713 4.461 8.659 1.00 24.52 C ATOM 1119 C THR B 7 39.332 4.172 7.295 1.00 25.33 C ATOM 1120 O THR B 7 38.930 3.228 6.610 1.00 24.96 O ATOM 1121 CB THR B 7 39.567 3.848 9.797 1.00 25.45 C ATOM 1122 OG1 THR B 7 40.932 4.289 9.679 1.00 26.15 O ATOM 1123 CG2 THR B 7 39.535 2.310 9.770 1.00 26.09 C ATOM 1124 HG1 THR B 7 40.965 5.276 9.741 1.00 0.00 H ATOM 1125 H THR B 7 37.066 3.198 8.077 1.00 0.00 H ATOM 1126 N ASN B 8 40.290 5.015 6.908 1.00 26.68 N ATOM 1127 CA ASN B 8 41.154 4.791 5.725 1.00 26.73 C ATOM 1128 C ASN B 8 42.349 3.862 6.014 1.00 28.28 C ATOM 1129 O ASN B 8 43.051 3.439 5.092 1.00 28.90 O ATOM 1130 CB ASN B 8 41.624 6.127 5.111 1.00 26.53 C ATOM 1131 CG ASN B 8 42.304 7.054 6.114 1.00 27.37 C ATOM 1132 OD1 ASN B 8 42.344 6.782 7.311 1.00 26.84 O ATOM 1133 ND2 ASN B 8 42.830 8.174 5.620 1.00 27.36 N ATOM 1134 HD22 ASN B 8 42.776 8.368 4.600 1.00 0.00 H ATOM 1135 HD21 ASN B 8 43.295 8.854 6.255 1.00 0.00 H ATOM 1136 H ASN B 8 40.439 5.879 7.468 1.00 0.00 H ATOM 1137 N VAL B 9 42.574 3.543 7.290 1.00 30.49 N ATOM 1138 CA VAL B 9 43.549 2.506 7.703 1.00 32.17 C ATOM 1139 C VAL B 9 43.237 1.137 7.024 1.00 33.97 C ATOM 1140 O VAL B 9 42.091 0.659 7.079 1.00 33.45 O ATOM 1141 CB VAL B 9 43.605 2.408 9.261 1.00 31.56 C ATOM 1142 CG1 VAL B 9 44.120 1.076 9.757 1.00 32.85 C ATOM 1143 CG2 VAL B 9 44.479 3.527 9.811 1.00 31.78 C ATOM 1144 H VAL B 9 42.041 4.045 8.028 1.00 0.00 H ATOM 1145 N PRO B 10 44.246 0.515 6.368 1.00 34.04 N ATOM 1146 CA PRO B 10 43.965 -0.737 5.636 1.00 34.39 C ATOM 1147 C PRO B 10 43.613 -1.932 6.524 1.00 34.26 C ATOM 1148 O PRO B 10 43.932 -1.941 7.718 1.00 32.10 O ATOM 1149 CB PRO B 10 45.263 -1.005 4.845 1.00 35.17 C ATOM 1150 CG PRO B 10 46.320 -0.167 5.483 1.00 36.07 C ATOM 1151 CD PRO B 10 45.628 0.992 6.157 1.00 35.50 C ATOM 1152 N ARG B 11 42.969 -2.926 5.912 1.00 35.64 N ATOM 1153 CA ARG B 11 42.511 -4.151 6.581 1.00 37.46 C ATOM 1154 C ARG B 11 43.597 -4.811 7.432 1.00 36.11 C ATOM 1155 O ARG B 11 43.326 -5.245 8.556 1.00 34.67 O ATOM 1156 CB ARG B 11 42.004 -5.153 5.528 1.00 40.34 C ATOM 1157 CG ARG B 11 41.548 -6.511 6.054 1.00 44.75 C ATOM 1158 CD ARG B 11 40.442 -6.377 7.090 1.00 48.53 C ATOM 1159 NE ARG B 11 39.713 -7.635 7.309 1.00 54.18 N ATOM 1160 CZ ARG B 11 39.974 -8.552 8.254 1.00 57.90 C ATOM 1161 NH1 ARG B 11 40.977 -8.405 9.128 1.00 59.26 N ATOM 1162 NH2 ARG B 11 39.211 -9.649 8.329 1.00 58.19 N ATOM 1163 HE ARG B 11 38.917 -7.834 6.669 1.00 0.00 H ATOM 1164 HH12 ARG B 11 41.151 -9.135 9.848 1.00 0.00 H ATOM 1165 HH11 ARG B 11 41.582 -7.560 9.088 1.00 0.00 H ATOM 1166 HH22 ARG B 11 39.403 -10.367 9.057 1.00 0.00 H ATOM 1167 HH21 ARG B 11 38.426 -9.783 7.660 1.00 0.00 H ATOM 1168 H ARG B 11 42.778 -2.828 4.894 1.00 0.00 H ATOM 1169 N ALA B 12 44.813 -4.881 6.877 1.00 34.58 N ATOM 1170 CA ALA B 12 45.966 -5.530 7.527 1.00 33.76 C ATOM 1171 C ALA B 12 46.362 -4.937 8.880 1.00 32.75 C ATOM 1172 O ALA B 12 46.894 -5.645 9.730 1.00 32.29 O ATOM 1173 CB ALA B 12 47.171 -5.504 6.596 1.00 33.61 C ATOM 1174 H ALA B 12 44.952 -4.455 5.938 1.00 0.00 H ATOM 1175 N SER B 13 46.121 -3.640 9.066 1.00 32.04 N ATOM 1176 CA SER B 13 46.505 -2.934 10.290 1.00 30.83 C ATOM 1177 C SER B 13 45.584 -3.210 11.472 1.00 29.89 C ATOM 1178 O SER B 13 45.945 -2.900 12.602 1.00 29.45 O ATOM 1179 CB SER B 13 46.527 -1.428 10.037 1.00 31.50 C ATOM 1180 OG SER B 13 47.358 -1.097 8.940 1.00 32.44 O ATOM 1181 HG SER B 13 47.349 -0.116 8.805 1.00 0.00 H ATOM 1182 H SER B 13 45.641 -3.108 8.312 1.00 0.00 H ATOM 1183 N VAL B 14 44.398 -3.767 11.223 1.00 29.52 N ATOM 1184 CA VAL B 14 43.462 -4.080 12.304 1.00 30.01 C ATOM 1185 C VAL B 14 43.938 -5.375 12.961 1.00 30.48 C ATOM 1186 O VAL B 14 43.971 -6.414 12.306 1.00 29.63 O ATOM 1187 CB VAL B 14 42.009 -4.230 11.807 1.00 29.14 C ATOM 1188 CG1 VAL B 14 41.062 -4.420 12.987 1.00 28.47 C ATOM 1189 CG2 VAL B 14 41.603 -3.018 10.962 1.00 28.94 C ATOM 1190 H VAL B 14 44.133 -3.983 10.241 1.00 0.00 H ATOM 1191 N PRO B 15 44.339 -5.314 14.249 1.00 32.45 N ATOM 1192 CA PRO B 15 44.879 -6.523 14.875 1.00 32.70 C ATOM 1193 C PRO B 15 43.794 -7.531 15.219 1.00 32.39 C ATOM 1194 O PRO B 15 42.624 -7.163 15.389 1.00 33.54 O ATOM 1195 CB PRO B 15 45.571 -5.994 16.132 1.00 33.07 C ATOM 1196 CG PRO B 15 44.818 -4.761 16.475 1.00 33.56 C ATOM 1197 CD PRO B 15 44.334 -4.170 15.181 1.00 32.81 C ATOM 1198 N ASP B 16 44.198 -8.796 15.311 1.00 32.15 N ATOM 1199 CA ASP B 16 43.287 -9.896 15.613 1.00 31.40 C ATOM 1200 C ASP B 16 42.725 -9.680 17.017 1.00 29.81 C ATOM 1201 O ASP B 16 43.443 -9.251 17.923 1.00 30.29 O ATOM 1202 CB ASP B 16 44.017 -11.250 15.538 1.00 32.88 C ATOM 1203 CG ASP B 16 44.592 -11.556 14.144 1.00 34.59 C ATOM 1204 OD1 ASP B 16 43.957 -11.214 13.122 1.00 36.72 O ATOM 1205 OD2 ASP B 16 45.678 -12.169 14.073 1.00 35.61 O ATOM 1206 H ASP B 16 45.205 -9.010 15.161 1.00 0.00 H ATOM 1207 N GLY B 17 41.434 -9.928 17.187 1.00 27.90 N ATOM 1208 CA GLY B 17 40.789 -9.758 18.487 1.00 27.04 C ATOM 1209 C GLY B 17 40.391 -8.336 18.856 1.00 27.10 C ATOM 1210 O GLY B 17 39.853 -8.121 19.940 1.00 28.20 O ATOM 1211 H GLY B 17 40.867 -10.251 16.377 1.00 0.00 H ATOM 1212 N PHE B 18 40.627 -7.368 17.969 1.00 26.43 N ATOM 1213 CA PHE B 18 40.247 -5.968 18.207 1.00 26.00 C ATOM 1214 C PHE B 18 38.746 -5.784 18.539 1.00 25.05 C ATOM 1215 O PHE B 18 38.411 -5.014 19.440 1.00 23.83 O ATOM 1216 CB PHE B 18 40.656 -5.130 16.983 1.00 27.70 C ATOM 1217 CG PHE B 18 40.474 -3.648 17.152 1.00 28.52 C ATOM 1218 CD1 PHE B 18 41.096 -2.969 18.201 1.00 28.80 C ATOM 1219 CD2 PHE B 18 39.713 -2.919 16.236 1.00 29.32 C ATOM 1220 CE1 PHE B 18 40.940 -1.599 18.355 1.00 28.92 C ATOM 1221 CE2 PHE B 18 39.563 -1.548 16.375 1.00 29.99 C ATOM 1222 CZ PHE B 18 40.175 -0.887 17.441 1.00 30.01 C ATOM 1223 H PHE B 18 41.098 -7.613 17.075 1.00 0.00 H ATOM 1224 N LEU B 19 37.861 -6.518 17.861 1.00 23.94 N ATOM 1225 CA LEU B 19 36.417 -6.434 18.127 1.00 24.36 C ATOM 1226 C LEU B 19 36.031 -6.875 19.532 1.00 24.74 C ATOM 1227 O LEU B 19 35.143 -6.283 20.157 1.00 24.68 O ATOM 1228 CB LEU B 19 35.617 -7.270 17.132 1.00 24.62 C ATOM 1229 CG LEU B 19 35.757 -6.992 15.634 1.00 25.36 C ATOM 1230 CD1 LEU B 19 34.646 -7.691 14.873 1.00 25.45 C ATOM 1231 CD2 LEU B 19 35.743 -5.508 15.323 1.00 26.01 C ATOM 1232 H LEU B 19 38.202 -7.168 17.124 1.00 0.00 H ATOM 1233 N SER B 20 36.693 -7.918 20.018 1.00 25.09 N ATOM 1234 CA SER B 20 36.484 -8.415 21.379 1.00 24.98 C ATOM 1235 C SER B 20 37.007 -7.374 22.369 1.00 24.73 C ATOM 1236 O SER B 20 36.330 -7.047 23.359 1.00 23.68 O ATOM 1237 CB SER B 20 37.198 -9.761 21.599 1.00 25.75 C ATOM 1238 OG SER B 20 36.474 -10.841 21.025 1.00 25.06 O ATOM 1239 HG SER B 20 36.962 -11.687 21.186 1.00 0.00 H ATOM 1240 H SER B 20 37.385 -8.400 19.410 1.00 0.00 H ATOM 1241 N GLU B 21 38.204 -6.845 22.090 1.00 24.53 N ATOM 1242 CA GLU B 21 38.768 -5.769 22.912 1.00 25.60 C ATOM 1243 C GLU B 21 37.798 -4.578 23.032 1.00 26.00 C ATOM 1244 O GLU B 21 37.519 -4.133 24.142 1.00 26.65 O ATOM 1245 CB GLU B 21 40.155 -5.313 22.424 1.00 24.97 C ATOM 1246 CG GLU B 21 40.689 -4.149 23.243 1.00 24.86 C ATOM 1247 CD GLU B 21 42.169 -3.915 23.098 1.00 24.42 C ATOM 1248 OE1 GLU B 21 42.685 -3.866 21.957 1.00 23.53 O ATOM 1249 OE2 GLU B 21 42.811 -3.734 24.149 1.00 25.56 O ATOM 1250 H GLU B 21 38.744 -7.203 21.276 1.00 0.00 H ATOM 1251 N LEU B 22 37.278 -4.097 21.900 1.00 25.81 N ATOM 1252 CA LEU B 22 36.272 -3.031 21.897 1.00 25.68 C ATOM 1253 C LEU B 22 35.036 -3.424 22.692 1.00 25.33 C ATOM 1254 O LEU B 22 34.468 -2.595 23.400 1.00 26.04 O ATOM 1255 CB LEU B 22 35.874 -2.632 20.456 1.00 26.10 C ATOM 1256 CG LEU B 22 36.945 -1.946 19.579 1.00 26.40 C ATOM 1257 CD1 LEU B 22 36.489 -1.787 18.137 1.00 25.82 C ATOM 1258 CD2 LEU B 22 37.354 -0.598 20.159 1.00 27.28 C ATOM 1259 H LEU B 22 37.597 -4.491 20.992 1.00 0.00 H ATOM 1260 N THR B 23 34.620 -4.681 22.567 1.00 25.05 N ATOM 1261 CA THR B 23 33.457 -5.182 23.290 1.00 25.45 C ATOM 1262 C THR B 23 33.702 -5.240 24.815 1.00 26.17 C ATOM 1263 O THR B 23 32.801 -4.899 25.588 1.00 25.03 O ATOM 1264 CB THR B 23 32.990 -6.551 22.734 1.00 25.77 C ATOM 1265 OG1 THR B 23 32.630 -6.414 21.349 1.00 25.34 O ATOM 1266 CG2 THR B 23 31.784 -7.073 23.499 1.00 25.68 C ATOM 1267 HG1 THR B 23 33.416 -6.101 20.834 1.00 0.00 H ATOM 1268 H THR B 23 35.139 -5.325 21.936 1.00 0.00 H ATOM 1269 N GLN B 24 34.903 -5.650 25.242 1.00 26.71 N ATOM 1270 CA GLN B 24 35.258 -5.654 26.676 1.00 27.58 C ATOM 1271 C GLN B 24 35.286 -4.247 27.270 1.00 28.79 C ATOM 1272 O GLN B 24 34.754 -3.992 28.379 1.00 28.43 O ATOM 1273 CB GLN B 24 36.636 -6.260 26.910 1.00 27.98 C ATOM 1274 CG GLN B 24 36.740 -7.745 26.597 1.00 28.16 C ATOM 1275 CD GLN B 24 38.174 -8.207 26.453 1.00 26.95 C ATOM 1276 OE1 GLN B 24 39.047 -7.439 26.067 1.00 26.92 O ATOM 1277 NE2 GLN B 24 38.424 -9.467 26.772 1.00 26.88 N ATOM 1278 HE22 GLN B 24 37.652 -10.085 27.095 1.00 0.00 H ATOM 1279 HE21 GLN B 24 39.392 -9.840 26.699 1.00 0.00 H ATOM 1280 H GLN B 24 35.604 -5.974 24.546 1.00 0.00 H ATOM 1281 N GLN B 25 35.926 -3.341 26.539 1.00 28.65 N ATOM 1282 CA GLN B 25 36.119 -1.973 27.022 1.00 29.03 C ATOM 1283 C GLN B 25 34.800 -1.198 27.042 1.00 28.91 C ATOM 1284 O GLN B 25 34.537 -0.465 27.999 1.00 29.87 O ATOM 1285 CB GLN B 25 37.189 -1.261 26.193 1.00 29.54 C ATOM 1286 CG GLN B 25 38.579 -1.919 26.256 1.00 29.51 C ATOM 1287 CD GLN B 25 39.308 -1.775 27.590 1.00 29.40 C ATOM 1288 OE1 GLN B 25 40.332 -2.412 27.796 1.00 29.97 O ATOM 1289 NE2 GLN B 25 38.805 -0.933 28.483 1.00 29.55 N ATOM 1290 HE22 GLN B 25 37.932 -0.410 28.270 1.00 0.00 H ATOM 1291 HE21 GLN B 25 39.284 -0.796 29.396 1.00 0.00 H ATOM 1292 H GLN B 25 36.297 -3.609 25.605 1.00 0.00 H ATOM 1293 N LEU B 26 33.961 -1.396 26.022 1.00 28.42 N ATOM 1294 CA LEU B 26 32.620 -0.789 25.980 1.00 28.83 C ATOM 1295 C LEU B 26 31.662 -1.339 27.043 1.00 28.32 C ATOM 1296 O LEU B 26 30.847 -0.587 27.585 1.00 27.04 O ATOM 1297 CB LEU B 26 31.980 -0.931 24.589 1.00 30.30 C ATOM 1298 CG LEU B 26 32.505 0.007 23.496 1.00 31.61 C ATOM 1299 CD1 LEU B 26 32.137 -0.512 22.114 1.00 32.47 C ATOM 1300 CD2 LEU B 26 31.978 1.429 23.674 1.00 32.36 C ATOM 1301 H LEU B 26 34.265 -1.999 25.231 1.00 0.00 H ATOM 1302 N ALA B 27 31.750 -2.639 27.321 1.00 28.04 N ATOM 1303 CA ALA B 27 30.973 -3.264 28.396 1.00 29.59 C ATOM 1304 C ALA B 27 31.306 -2.687 29.785 1.00 31.50 C ATOM 1305 O ALA B 27 30.406 -2.380 30.558 1.00 31.51 O ATOM 1306 CB ALA B 27 31.184 -4.769 28.386 1.00 29.37 C ATOM 1307 H ALA B 27 32.392 -3.231 26.756 1.00 0.00 H ATOM 1308 N GLN B 28 32.598 -2.556 30.083 1.00 33.91 N ATOM 1309 CA GLN B 28 33.077 -1.825 31.265 1.00 37.21 C ATOM 1310 C GLN B 28 32.579 -0.386 31.315 1.00 36.66 C ATOM 1311 O GLN B 28 31.941 0.026 32.284 1.00 35.21 O ATOM 1312 CB GLN B 28 34.604 -1.747 31.278 1.00 41.67 C ATOM 1313 CG GLN B 28 35.269 -2.554 32.357 1.00 45.49 C ATOM 1314 CD GLN B 28 36.715 -2.153 32.537 1.00 49.35 C ATOM 1315 OE1 GLN B 28 37.024 -0.972 32.711 1.00 49.32 O ATOM 1316 NE2 GLN B 28 37.615 -3.137 32.490 1.00 51.66 N ATOM 1317 HE22 GLN B 28 37.305 -4.118 32.341 1.00 0.00 H ATOM 1318 HE21 GLN B 28 38.626 -2.922 32.602 1.00 0.00 H ATOM 1319 H GLN B 28 33.300 -2.991 29.450 1.00 0.00 H ATOM 1320 N ALA B 29 32.897 0.355 30.255 1.00 34.67 N ATOM 1321 CA ALA B 29 32.638 1.782 30.181 1.00 34.59 C ATOM 1322 C ALA B 29 31.159 2.149 30.312 1.00 34.95 C ATOM 1323 O ALA B 29 30.852 3.223 30.836 1.00 36.34 O ATOM 1324 CB ALA B 29 33.207 2.355 28.886 1.00 33.87 C ATOM 1325 H ALA B 29 33.352 -0.110 29.443 1.00 0.00 H ATOM 1326 N THR B 30 30.255 1.288 29.839 1.00 33.63 N ATOM 1327 CA THR B 30 28.820 1.595 29.854 1.00 34.20 C ATOM 1328 C THR B 30 28.032 0.884 30.952 1.00 35.11 C ATOM 1329 O THR B 30 26.901 1.283 31.242 1.00 35.05 O ATOM 1330 CB THR B 30 28.160 1.274 28.498 1.00 35.81 C ATOM 1331 OG1 THR B 30 28.273 -0.126 28.211 1.00 36.15 O ATOM 1332 CG2 THR B 30 28.804 2.078 27.374 1.00 36.02 C ATOM 1333 HG1 THR B 30 29.230 -0.378 28.174 1.00 0.00 H ATOM 1334 H THR B 30 30.575 0.378 29.451 1.00 0.00 H ATOM 1335 N GLY B 31 28.614 -0.158 31.551 1.00 35.61 N ATOM 1336 CA GLY B 31 27.919 -0.985 32.538 1.00 37.10 C ATOM 1337 C GLY B 31 26.791 -1.847 31.974 1.00 38.64 C ATOM 1338 O GLY B 31 25.929 -2.310 32.723 1.00 37.32 O ATOM 1339 H GLY B 31 29.598 -0.390 31.307 1.00 0.00 H ATOM 1340 N LYS B 32 26.821 -2.089 30.663 1.00 39.99 N ATOM 1341 CA LYS B 32 25.722 -2.729 29.943 1.00 40.96 C ATOM 1342 C LYS B 32 26.008 -4.215 29.802 1.00 40.31 C ATOM 1343 O LYS B 32 27.167 -4.615 29.881 1.00 39.62 O ATOM 1344 CB LYS B 32 25.560 -2.091 28.559 1.00 42.65 C ATOM 1345 CG LYS B 32 25.027 -0.656 28.595 1.00 44.47 C ATOM 1346 CD LYS B 32 23.504 -0.616 28.496 1.00 46.30 C ATOM 1347 CE LYS B 32 22.925 0.741 28.861 1.00 46.13 C ATOM 1348 NZ LYS B 32 21.445 0.738 28.725 1.00 46.63 N ATOM 1349 HZ1 LYS B 32 21.189 0.517 27.741 1.00 0.00 H ATOM 1350 HZ2 LYS B 32 21.041 0.019 29.359 1.00 0.00 H ATOM 1351 HZ3 LYS B 32 21.073 1.675 28.980 1.00 0.00 H ATOM 1352 H LYS B 32 27.667 -1.809 30.127 1.00 0.00 H ATOM 1353 N PRO B 33 24.956 -5.043 29.601 1.00 41.48 N ATOM 1354 CA PRO B 33 25.228 -6.468 29.379 1.00 40.83 C ATOM 1355 C PRO B 33 26.031 -6.679 28.094 1.00 41.07 C ATOM 1356 O PRO B 33 25.756 -6.012 27.090 1.00 43.24 O ATOM 1357 CB PRO B 33 23.830 -7.099 29.270 1.00 40.66 C ATOM 1358 CG PRO B 33 22.888 -6.109 29.868 1.00 41.32 C ATOM 1359 CD PRO B 33 23.505 -4.760 29.641 1.00 41.85 C ATOM 1360 N PRO B 34 27.029 -7.589 28.118 1.00 40.41 N ATOM 1361 CA PRO B 34 27.874 -7.771 26.927 1.00 38.95 C ATOM 1362 C PRO B 34 27.110 -8.252 25.685 1.00 38.29 C ATOM 1363 O PRO B 34 27.497 -7.910 24.575 1.00 38.15 O ATOM 1364 CB PRO B 34 28.905 -8.815 27.377 1.00 39.21 C ATOM 1365 CG PRO B 34 28.221 -9.566 28.468 1.00 40.11 C ATOM 1366 CD PRO B 34 27.367 -8.555 29.181 1.00 39.18 C ATOM 1367 N GLN B 35 26.020 -8.995 25.882 1.00 38.88 N ATOM 1368 CA GLN B 35 25.233 -9.596 24.781 1.00 40.56 C ATOM 1369 C GLN B 35 24.579 -8.558 23.845 1.00 39.73 C ATOM 1370 O GLN B 35 24.288 -8.853 22.678 1.00 35.87 O ATOM 1371 CB GLN B 35 24.153 -10.541 25.351 1.00 41.32 C ATOM 1372 CG GLN B 35 24.693 -11.664 26.254 1.00 42.69 C ATOM 1373 CD GLN B 35 24.415 -11.486 27.764 1.00 43.75 C ATOM 1374 OE1 GLN B 35 24.142 -10.373 28.265 1.00 41.84 O ATOM 1375 NE2 GLN B 35 24.492 -12.603 28.496 1.00 41.47 N ATOM 1376 HE22 GLN B 35 24.722 -13.509 28.040 1.00 0.00 H ATOM 1377 HE21 GLN B 35 24.322 -12.566 29.521 1.00 0.00 H ATOM 1378 H GLN B 35 25.707 -9.161 26.860 1.00 0.00 H ATOM 1379 N TYR B 36 24.350 -7.358 24.385 1.00 40.62 N ATOM 1380 CA TYR B 36 23.788 -6.226 23.648 1.00 42.74 C ATOM 1381 C TYR B 36 24.839 -5.320 22.978 1.00 39.08 C ATOM 1382 O TYR B 36 24.469 -4.417 22.231 1.00 40.40 O ATOM 1383 CB TYR B 36 22.888 -5.400 24.592 1.00 46.53 C ATOM 1384 CG TYR B 36 21.644 -6.153 25.009 1.00 52.02 C ATOM 1385 CD1 TYR B 36 20.699 -6.550 24.057 1.00 55.27 C ATOM 1386 CD2 TYR B 36 21.411 -6.497 26.346 1.00 56.19 C ATOM 1387 CE1 TYR B 36 19.557 -7.256 24.421 1.00 57.87 C ATOM 1388 CE2 TYR B 36 20.266 -7.203 26.721 1.00 57.48 C ATOM 1389 CZ TYR B 36 19.344 -7.581 25.754 1.00 57.83 C ATOM 1390 OH TYR B 36 18.208 -8.279 26.092 1.00 59.99 O ATOM 1391 HH TYR B 36 17.677 -8.458 25.276 1.00 0.00 H ATOM 1392 H TYR B 36 24.585 -7.220 25.389 1.00 0.00 H ATOM 1393 N ILE B 37 26.127 -5.565 23.218 1.00 34.00 N ATOM 1394 CA ILE B 37 27.188 -4.739 22.659 1.00 31.32 C ATOM 1395 C ILE B 37 27.491 -5.206 21.243 1.00 31.40 C ATOM 1396 O ILE B 37 27.931 -6.340 21.037 1.00 31.51 O ATOM 1397 CB ILE B 37 28.498 -4.822 23.470 1.00 31.08 C ATOM 1398 CG1 ILE B 37 28.263 -4.535 24.961 1.00 31.38 C ATOM 1399 CG2 ILE B 37 29.556 -3.892 22.883 1.00 30.69 C ATOM 1400 CD1 ILE B 37 27.533 -3.261 25.253 1.00 32.08 C ATOM 1401 H ILE B 37 26.382 -6.371 23.823 1.00 0.00 H ATOM 1402 N ALA B 38 27.273 -4.326 20.268 1.00 30.35 N ATOM 1403 CA ALA B 38 27.599 -4.615 18.879 1.00 28.50 C ATOM 1404 C ALA B 38 28.743 -3.713 18.472 1.00 27.05 C ATOM 1405 O ALA B 38 28.790 -2.549 18.888 1.00 27.60 O ATOM 1406 CB ALA B 38 26.393 -4.373 17.989 1.00 28.92 C ATOM 1407 H ALA B 38 26.857 -3.403 20.506 1.00 0.00 H ATOM 1408 N VAL B 39 29.664 -4.262 17.680 1.00 25.53 N ATOM 1409 CA VAL B 39 30.801 -3.502 17.164 1.00 25.22 C ATOM 1410 C VAL B 39 31.010 -3.820 15.700 1.00 24.70 C ATOM 1411 O VAL B 39 30.714 -4.918 15.245 1.00 25.53 O ATOM 1412 CB VAL B 39 32.102 -3.749 17.948 1.00 25.65 C ATOM 1413 CG1 VAL B 39 31.960 -3.204 19.357 1.00 26.24 C ATOM 1414 CG2 VAL B 39 32.484 -5.228 17.967 1.00 25.66 C ATOM 1415 H VAL B 39 29.570 -5.265 17.420 1.00 0.00 H ATOM 1416 N HIS B 40 31.506 -2.835 14.970 1.00 23.49 N ATOM 1417 CA HIS B 40 31.611 -2.900 13.539 1.00 23.99 C ATOM 1418 C HIS B 40 32.813 -2.058 13.189 1.00 24.49 C ATOM 1419 O HIS B 40 32.916 -0.932 13.654 1.00 27.75 O ATOM 1420 CB HIS B 40 30.317 -2.319 12.950 1.00 24.86 C ATOM 1421 CG HIS B 40 30.243 -2.322 11.452 1.00 24.61 C ATOM 1422 ND1 HIS B 40 29.183 -1.764 10.770 1.00 24.46 N ATOM 1423 CD2 HIS B 40 31.092 -2.790 10.506 1.00 25.25 C ATOM 1424 CE1 HIS B 40 29.380 -1.890 9.471 1.00 25.11 C ATOM 1425 NE2 HIS B 40 30.525 -2.524 9.284 1.00 25.48 N ATOM 1426 H HIS B 40 31.835 -1.975 15.454 1.00 0.00 H ATOM 1427 N VAL B 41 33.733 -2.606 12.400 1.00 24.23 N ATOM 1428 CA VAL B 41 34.906 -1.877 11.956 1.00 23.17 C ATOM 1429 C VAL B 41 34.935 -1.923 10.450 1.00 22.81 C ATOM 1430 O VAL B 41 34.857 -3.000 9.889 1.00 25.34 O ATOM 1431 CB VAL B 41 36.183 -2.504 12.543 1.00 23.17 C ATOM 1432 CG1 VAL B 41 37.438 -1.848 11.972 1.00 23.06 C ATOM 1433 CG2 VAL B 41 36.151 -2.388 14.063 1.00 22.89 C ATOM 1434 H VAL B 41 33.607 -3.591 12.091 1.00 0.00 H ATOM 1435 N VAL B 42 35.035 -0.762 9.799 1.00 21.74 N ATOM 1436 CA VAL B 42 35.153 -0.685 8.343 1.00 21.27 C ATOM 1437 C VAL B 42 36.491 -0.051 7.960 1.00 21.56 C ATOM 1438 O VAL B 42 36.627 1.182 7.975 1.00 21.87 O ATOM 1439 CB VAL B 42 33.988 0.099 7.681 1.00 21.23 C ATOM 1440 CG1 VAL B 42 33.993 -0.105 6.163 1.00 20.80 C ATOM 1441 CG2 VAL B 42 32.654 -0.339 8.253 1.00 20.62 C ATOM 1442 H VAL B 42 35.029 0.121 10.348 1.00 0.00 H ATOM 1443 N PRO B 43 37.475 -0.884 7.589 1.00 22.18 N ATOM 1444 CA PRO B 43 38.750 -0.394 7.072 1.00 22.90 C ATOM 1445 C PRO B 43 38.710 -0.011 5.577 1.00 24.77 C ATOM 1446 O PRO B 43 37.658 -0.118 4.940 1.00 24.29 O ATOM 1447 CB PRO B 43 39.679 -1.591 7.293 1.00 22.93 C ATOM 1448 CG PRO B 43 38.788 -2.785 7.149 1.00 22.46 C ATOM 1449 CD PRO B 43 37.403 -2.361 7.554 1.00 22.28 C ATOM 1450 N ASP B 44 39.860 0.454 5.057 1.00 27.07 N ATOM 1451 CA ASP B 44 40.117 0.723 3.615 1.00 27.42 C ATOM 1452 C ASP B 44 39.279 1.842 2.973 1.00 27.12 C ATOM 1453 O ASP B 44 39.175 1.923 1.740 1.00 27.08 O ATOM 1454 CB ASP B 44 40.011 -0.574 2.793 1.00 28.21 C ATOM 1455 CG ASP B 44 41.102 -1.563 3.138 1.00 29.97 C ATOM 1456 OD1 ASP B 44 42.257 -1.342 2.701 1.00 33.44 O ATOM 1457 OD2 ASP B 44 40.815 -2.553 3.841 1.00 29.47 O ATOM 1458 H ASP B 44 40.638 0.642 5.720 1.00 0.00 H ATOM 1459 N GLN B 45 38.717 2.722 3.796 1.00 25.96 N ATOM 1460 CA GLN B 45 37.758 3.696 3.297 1.00 25.04 C ATOM 1461 C GLN B 45 38.425 4.850 2.599 1.00 25.43 C ATOM 1462 O GLN B 45 39.557 5.213 2.911 1.00 26.26 O ATOM 1463 CB GLN B 45 36.860 4.218 4.412 1.00 24.64 C ATOM 1464 CG GLN B 45 35.906 3.165 4.944 1.00 24.43 C ATOM 1465 CD GLN B 45 35.081 2.540 3.840 1.00 23.80 C ATOM 1466 OE1 GLN B 45 34.239 3.195 3.218 1.00 25.21 O ATOM 1467 NE2 GLN B 45 35.339 1.285 3.569 1.00 23.35 N ATOM 1468 HE22 GLN B 45 36.057 0.771 4.119 1.00 0.00 H ATOM 1469 HE21 GLN B 45 34.826 0.802 2.804 1.00 0.00 H ATOM 1470 H GLN B 45 38.965 2.714 4.806 1.00 0.00 H ATOM 1471 N LEU B 46 37.712 5.405 1.628 1.00 25.07 N ATOM 1472 CA LEU B 46 38.142 6.590 0.945 1.00 26.24 C ATOM 1473 C LEU B 46 37.616 7.753 1.778 1.00 27.07 C ATOM 1474 O LEU B 46 36.433 8.099 1.720 1.00 26.91 O ATOM 1475 CB LEU B 46 37.603 6.587 -0.472 1.00 27.93 C ATOM 1476 CG LEU B 46 38.005 7.734 -1.393 1.00 29.44 C ATOM 1477 CD1 LEU B 46 39.508 8.002 -1.377 1.00 29.38 C ATOM 1478 CD2 LEU B 46 37.522 7.387 -2.794 1.00 30.58 C ATOM 1479 H LEU B 46 36.810 4.966 1.353 1.00 0.00 H ATOM 1480 N MET B 47 38.506 8.294 2.602 1.00 27.81 N ATOM 1481 CA MET B 47 38.184 9.313 3.602 1.00 28.85 C ATOM 1482 C MET B 47 39.207 10.424 3.560 1.00 27.52 C ATOM 1483 O MET B 47 40.354 10.201 3.166 1.00 26.99 O ATOM 1484 CB MET B 47 38.256 8.730 5.011 1.00 29.98 C ATOM 1485 CG MET B 47 37.078 7.877 5.413 1.00 32.38 C ATOM 1486 SD MET B 47 37.303 7.237 7.083 1.00 33.46 S ATOM 1487 CE MET B 47 37.428 8.731 8.008 1.00 33.84 C ATOM 1488 H MET B 47 39.493 7.974 2.532 1.00 0.00 H ATOM 1489 N ALA B 48 38.794 11.604 4.005 1.00 27.12 N ATOM 1490 CA ALA B 48 39.742 12.664 4.324 1.00 27.31 C ATOM 1491 C ALA B 48 39.301 13.441 5.545 1.00 25.76 C ATOM 1492 O ALA B 48 38.112 13.539 5.831 1.00 25.93 O ATOM 1493 CB ALA B 48 39.944 13.595 3.137 1.00 28.01 C ATOM 1494 H ALA B 48 37.776 11.775 4.128 1.00 0.00 H ATOM 1495 N PHE B 49 40.286 13.965 6.268 1.00 24.65 N ATOM 1496 CA PHE B 49 40.070 14.806 7.450 1.00 23.32 C ATOM 1497 C PHE B 49 40.927 16.047 7.245 1.00 23.44 C ATOM 1498 O PHE B 49 42.134 15.950 6.999 1.00 24.33 O ATOM 1499 CB PHE B 49 40.465 14.044 8.720 1.00 22.52 C ATOM 1500 CG PHE B 49 39.887 14.599 9.992 1.00 21.64 C ATOM 1501 CD1 PHE B 49 40.277 15.837 10.471 1.00 21.76 C ATOM 1502 CD2 PHE B 49 39.004 13.847 10.746 1.00 22.41 C ATOM 1503 CE1 PHE B 49 39.758 16.339 11.650 1.00 21.79 C ATOM 1504 CE2 PHE B 49 38.480 14.341 11.934 1.00 22.61 C ATOM 1505 CZ PHE B 49 38.859 15.595 12.387 1.00 22.05 C ATOM 1506 H PHE B 49 41.265 13.767 5.979 1.00 0.00 H ATOM 1507 N GLY B 50 40.305 17.214 7.308 1.00 23.99 N ATOM 1508 CA GLY B 50 40.991 18.445 6.948 1.00 25.16 C ATOM 1509 C GLY B 50 41.462 18.515 5.497 1.00 26.40 C ATOM 1510 O GLY B 50 42.355 19.295 5.185 1.00 27.08 O ATOM 1511 H GLY B 50 39.313 17.251 7.619 1.00 0.00 H ATOM 1512 N GLY B 51 40.866 17.715 4.607 1.00 27.71 N ATOM 1513 CA GLY B 51 41.296 17.624 3.206 1.00 28.07 C ATOM 1514 C GLY B 51 42.444 16.663 2.955 1.00 29.55 C ATOM 1515 O GLY B 51 42.767 16.379 1.793 1.00 31.23 O ATOM 1516 H GLY B 51 40.064 17.132 4.920 1.00 0.00 H ATOM 1517 N SER B 52 43.031 16.124 4.028 1.00 29.84 N ATOM 1518 CA SER B 52 44.218 15.265 3.948 1.00 30.24 C ATOM 1519 C SER B 52 43.857 13.781 3.931 1.00 31.67 C ATOM 1520 O SER B 52 42.905 13.362 4.587 1.00 31.50 O ATOM 1521 CB SER B 52 45.162 15.558 5.137 1.00 29.15 C ATOM 1522 OG SER B 52 46.064 14.503 5.373 1.00 27.08 O ATOM 1523 HG SER B 52 46.646 14.733 6.140 1.00 0.00 H ATOM 1524 H SER B 52 42.627 16.323 4.965 1.00 0.00 H ATOM 1525 N SER B 53 44.671 13.001 3.215 1.00 34.88 N ATOM 1526 CA SER B 53 44.572 11.532 3.166 1.00 36.61 C ATOM 1527 C SER B 53 45.100 10.800 4.414 1.00 38.84 C ATOM 1528 O SER B 53 44.880 9.590 4.538 1.00 39.65 O ATOM 1529 CB SER B 53 45.316 10.983 1.936 1.00 36.26 C ATOM 1530 OG SER B 53 44.635 11.286 0.733 1.00 36.83 O ATOM 1531 HG SER B 53 45.142 10.918 -0.034 1.00 0.00 H ATOM 1532 H SER B 53 45.421 13.459 2.658 1.00 0.00 H ATOM 1533 N GLU B 54 45.789 11.499 5.323 1.00 37.92 N ATOM 1534 CA GLU B 54 46.389 10.848 6.497 1.00 37.68 C ATOM 1535 C GLU B 54 45.374 9.993 7.241 1.00 35.67 C ATOM 1536 O GLU B 54 44.187 10.326 7.248 1.00 34.35 O ATOM 1537 CB GLU B 54 46.975 11.862 7.499 1.00 39.34 C ATOM 1538 CG GLU B 54 48.489 11.873 7.625 1.00 41.09 C ATOM 1539 CD GLU B 54 48.946 12.375 8.991 1.00 42.83 C ATOM 1540 OE1 GLU B 54 49.776 11.684 9.623 1.00 41.65 O ATOM 1541 OE2 GLU B 54 48.462 13.448 9.439 1.00 42.98 O ATOM 1542 H GLU B 54 45.903 12.525 5.197 1.00 0.00 H ATOM 1543 N PRO B 55 45.845 8.913 7.899 1.00 33.74 N ATOM 1544 CA PRO B 55 44.986 8.082 8.746 1.00 32.25 C ATOM 1545 C PRO B 55 44.000 8.883 9.600 1.00 30.69 C ATOM 1546 O PRO B 55 44.399 9.832 10.289 1.00 29.44 O ATOM 1547 CB PRO B 55 45.993 7.344 9.622 1.00 32.58 C ATOM 1548 CG PRO B 55 47.150 7.136 8.699 1.00 32.98 C ATOM 1549 CD PRO B 55 47.227 8.387 7.866 1.00 33.33 C ATOM 1550 N CYS B 56 42.723 8.525 9.497 1.00 28.82 N ATOM 1551 CA CYS B 56 41.661 9.159 10.263 1.00 28.09 C ATOM 1552 C CYS B 56 40.527 8.174 10.497 1.00 28.16 C ATOM 1553 O CYS B 56 40.538 7.055 9.978 1.00 28.07 O ATOM 1554 CB CYS B 56 41.142 10.397 9.531 1.00 29.48 C ATOM 1555 SG CYS B 56 40.437 10.133 7.877 1.00 29.20 S ATOM 1556 H CYS B 56 42.473 7.758 8.840 1.00 0.00 H ATOM 1557 N ALA B 57 39.555 8.582 11.294 1.00 27.23 N ATOM 1558 CA ALA B 57 38.409 7.744 11.549 1.00 26.49 C ATOM 1559 C ALA B 57 37.172 8.583 11.819 1.00 26.63 C ATOM 1560 O ALA B 57 37.260 9.669 12.399 1.00 27.00 O ATOM 1561 CB ALA B 57 38.677 6.798 12.712 1.00 26.83 C ATOM 1562 H ALA B 57 39.617 9.518 11.743 1.00 0.00 H ATOM 1563 N LEU B 58 36.032 8.061 11.365 1.00 24.84 N ATOM 1564 CA LEU B 58 34.718 8.613 11.652 1.00 24.79 C ATOM 1565 C LEU B 58 33.920 7.488 12.300 1.00 23.82 C ATOM 1566 O LEU B 58 33.760 6.414 11.728 1.00 23.14 O ATOM 1567 CB LEU B 58 34.048 9.137 10.367 1.00 24.39 C ATOM 1568 CG LEU B 58 34.896 10.185 9.627 1.00 24.64 C ATOM 1569 CD1 LEU B 58 34.453 10.361 8.181 1.00 25.00 C ATOM 1570 CD2 LEU B 58 34.970 11.518 10.349 1.00 23.95 C ATOM 1571 H LEU B 58 36.086 7.209 10.771 1.00 0.00 H ATOM 1572 N CYS B 59 33.461 7.747 13.515 1.00 24.04 N ATOM 1573 CA CYS B 59 32.883 6.740 14.365 1.00 23.95 C ATOM 1574 C CYS B 59 31.553 7.231 14.868 1.00 25.00 C ATOM 1575 O CYS B 59 31.212 8.403 14.745 1.00 25.95 O ATOM 1576 CB CYS B 59 33.822 6.447 15.543 1.00 23.58 C ATOM 1577 SG CYS B 59 35.545 6.147 15.051 1.00 24.17 S ATOM 1578 H CYS B 59 33.521 8.722 13.871 1.00 0.00 H ATOM 1579 N SER B 60 30.790 6.307 15.423 1.00 27.14 N ATOM 1580 CA SER B 60 29.544 6.629 16.101 1.00 26.65 C ATOM 1581 C SER B 60 29.306 5.598 17.204 1.00 26.13 C ATOM 1582 O SER B 60 29.713 4.454 17.070 1.00 26.02 O ATOM 1583 CB SER B 60 28.386 6.672 15.106 1.00 26.30 C ATOM 1584 OG SER B 60 28.065 5.386 14.634 1.00 26.61 O ATOM 1585 HG SER B 60 27.803 4.812 15.397 1.00 0.00 H ATOM 1586 H SER B 60 31.091 5.313 15.374 1.00 0.00 H ATOM 1587 N LEU B 61 28.708 6.043 18.302 1.00 26.58 N ATOM 1588 CA LEU B 61 28.328 5.199 19.421 1.00 27.21 C ATOM 1589 C LEU B 61 26.869 5.502 19.714 1.00 28.08 C ATOM 1590 O LEU B 61 26.555 6.609 20.131 1.00 28.11 O ATOM 1591 CB LEU B 61 29.186 5.511 20.651 1.00 27.79 C ATOM 1592 CG LEU B 61 28.840 4.770 21.957 1.00 28.77 C ATOM 1593 CD1 LEU B 61 29.111 3.285 21.812 1.00 28.22 C ATOM 1594 CD2 LEU B 61 29.604 5.335 23.148 1.00 29.42 C ATOM 1595 H LEU B 61 28.498 7.060 18.365 1.00 0.00 H ATOM 1596 N HIS B 62 25.987 4.534 19.457 1.00 29.31 N ATOM 1597 CA HIS B 62 24.562 4.638 19.780 1.00 30.00 C ATOM 1598 C HIS B 62 24.279 3.855 21.049 1.00 32.00 C ATOM 1599 O HIS B 62 24.775 2.746 21.209 1.00 33.74 O ATOM 1600 CB HIS B 62 23.700 4.032 18.684 1.00 28.96 C ATOM 1601 CG HIS B 62 23.789 4.737 17.373 1.00 27.45 C ATOM 1602 ND1 HIS B 62 24.924 4.726 16.596 1.00 27.31 N ATOM 1603 CD2 HIS B 62 22.862 5.434 16.678 1.00 26.96 C ATOM 1604 CE1 HIS B 62 24.697 5.400 15.483 1.00 27.39 C ATOM 1605 NE2 HIS B 62 23.452 5.837 15.508 1.00 27.09 N ATOM 1606 H HIS B 62 26.329 3.662 19.005 1.00 0.00 H ATOM 1607 N SER B 63 23.455 4.415 21.924 1.00 33.31 N ATOM 1608 CA SER B 63 23.107 3.761 23.175 1.00 36.40 C ATOM 1609 C SER B 63 21.749 4.245 23.633 1.00 37.43 C ATOM 1610 O SER B 63 21.364 5.384 23.353 1.00 36.75 O ATOM 1611 CB SER B 63 24.161 4.084 24.243 1.00 38.55 C ATOM 1612 OG SER B 63 24.092 3.178 25.333 1.00 40.99 O ATOM 1613 HG SER B 63 24.783 3.414 26.001 1.00 0.00 H ATOM 1614 H SER B 63 23.047 5.347 21.710 1.00 0.00 H ATOM 1615 N ILE B 64 21.024 3.373 24.326 1.00 39.83 N ATOM 1616 CA ILE B 64 19.790 3.758 25.004 1.00 41.35 C ATOM 1617 C ILE B 64 20.231 4.248 26.374 1.00 42.77 C ATOM 1618 O ILE B 64 20.677 3.451 27.205 1.00 44.86 O ATOM 1619 CB ILE B 64 18.796 2.586 25.138 1.00 41.69 C ATOM 1620 CG1 ILE B 64 18.520 1.942 23.773 1.00 41.29 C ATOM 1621 CG2 ILE B 64 17.485 3.067 25.764 1.00 42.06 C ATOM 1622 CD1 ILE B 64 18.115 0.491 23.872 1.00 41.53 C ATOM 1623 H ILE B 64 21.346 2.386 24.387 1.00 0.00 H ATOM 1624 N GLY B 65 20.157 5.562 26.585 1.00 44.64 N ATOM 1625 CA GLY B 65 20.720 6.194 27.778 1.00 47.73 C ATOM 1626 C GLY B 65 22.230 6.025 27.902 1.00 51.62 C ATOM 1627 O GLY B 65 22.884 5.502 26.993 1.00 53.09 O ATOM 1628 H GLY B 65 19.683 6.158 25.877 1.00 0.00 H ATOM 1629 N LYS B 66 22.775 6.456 29.044 1.00 56.15 N ATOM 1630 CA LYS B 66 24.229 6.459 29.315 1.00 57.68 C ATOM 1631 C LYS B 66 25.033 7.295 28.296 1.00 56.01 C ATOM 1632 O LYS B 66 26.184 6.966 27.968 1.00 52.27 O ATOM 1633 CB LYS B 66 24.788 5.023 29.418 1.00 60.25 C ATOM 1634 CG LYS B 66 23.917 4.032 30.193 1.00 64.12 C ATOM 1635 CD LYS B 66 23.543 4.491 31.603 1.00 66.63 C ATOM 1636 CE LYS B 66 24.723 4.420 32.566 1.00 68.46 C ATOM 1637 NZ LYS B 66 24.351 4.829 33.955 1.00 69.43 N ATOM 1638 HZ1 LYS B 66 24.003 5.809 33.945 1.00 0.00 H ATOM 1639 HZ2 LYS B 66 23.605 4.198 34.313 1.00 0.00 H ATOM 1640 HZ3 LYS B 66 25.187 4.763 34.570 1.00 0.00 H ATOM 1641 H LYS B 66 22.139 6.810 29.786 1.00 0.00 H ATOM 1642 N ILE B 67 24.408 8.376 27.818 1.00 54.95 N ATOM 1643 CA ILE B 67 25.026 9.346 26.910 1.00 53.54 C ATOM 1644 C ILE B 67 24.842 10.727 27.536 1.00 49.85 C ATOM 1645 O ILE B 67 23.731 11.101 27.898 1.00 48.71 O ATOM 1646 CB ILE B 67 24.372 9.343 25.503 1.00 53.43 C ATOM 1647 CG1 ILE B 67 24.432 7.949 24.844 1.00 53.86 C ATOM 1648 CG2 ILE B 67 25.020 10.392 24.603 1.00 53.37 C ATOM 1649 CD1 ILE B 67 25.821 7.449 24.477 1.00 53.67 C ATOM 1650 H ILE B 67 23.423 8.538 28.108 1.00 0.00 H ATOM 1651 N GLY B 68 25.936 11.471 27.660 1.00 47.75 N ATOM 1652 CA GLY B 68 25.900 12.827 28.208 1.00 45.41 C ATOM 1653 C GLY B 68 27.284 13.452 28.233 1.00 44.04 C ATOM 1654 O GLY B 68 28.201 12.929 27.624 1.00 43.36 O ATOM 1655 H GLY B 68 26.849 11.076 27.357 1.00 0.00 H ATOM 1656 N GLY B 69 27.431 14.553 28.966 1.00 43.66 N ATOM 1657 CA GLY B 69 28.690 15.298 29.064 1.00 41.70 C ATOM 1658 C GLY B 69 29.913 14.478 29.438 1.00 40.82 C ATOM 1659 O GLY B 69 30.682 14.075 28.558 1.00 40.13 O ATOM 1660 H GLY B 69 26.609 14.904 29.498 1.00 0.00 H ATOM 1661 N ALA B 70 30.089 14.226 30.735 1.00 39.90 N ATOM 1662 CA ALA B 70 31.281 13.526 31.246 1.00 39.36 C ATOM 1663 C ALA B 70 31.485 12.132 30.627 1.00 38.97 C ATOM 1664 O ALA B 70 32.610 11.772 30.262 1.00 36.19 O ATOM 1665 CB ALA B 70 31.253 13.435 32.770 1.00 37.52 C ATOM 1666 H ALA B 70 29.360 14.534 31.410 1.00 0.00 H ATOM 1667 N GLN B 71 30.402 11.369 30.491 1.00 38.39 N ATOM 1668 CA GLN B 71 30.488 10.014 29.948 1.00 38.49 C ATOM 1669 C GLN B 71 31.109 10.049 28.554 1.00 36.53 C ATOM 1670 O GLN B 71 32.056 9.305 28.277 1.00 35.69 O ATOM 1671 CB GLN B 71 29.115 9.321 29.946 1.00 41.03 C ATOM 1672 CG GLN B 71 28.616 8.966 31.353 1.00 44.60 C ATOM 1673 CD GLN B 71 27.218 8.351 31.379 1.00 46.80 C ATOM 1674 OE1 GLN B 71 27.050 7.175 31.728 1.00 48.35 O ATOM 1675 NE2 GLN B 71 26.206 9.142 31.010 1.00 46.28 N ATOM 1676 HE22 GLN B 71 26.392 10.124 30.724 1.00 0.00 H ATOM 1677 HE21 GLN B 71 25.233 8.775 31.009 1.00 0.00 H ATOM 1678 H GLN B 71 29.475 11.745 30.777 1.00 0.00 H ATOM 1679 N ASN B 72 30.620 10.957 27.711 1.00 33.86 N ATOM 1680 CA ASN B 72 31.143 11.099 26.361 1.00 32.74 C ATOM 1681 C ASN B 72 32.616 11.516 26.323 1.00 31.98 C ATOM 1682 O ASN B 72 33.356 11.019 25.451 1.00 33.47 O ATOM 1683 CB ASN B 72 30.307 12.077 25.524 1.00 33.78 C ATOM 1684 CG ASN B 72 28.888 11.603 25.304 1.00 33.65 C ATOM 1685 OD1 ASN B 72 28.567 10.436 25.514 1.00 33.72 O ATOM 1686 ND2 ASN B 72 28.019 12.526 24.896 1.00 34.63 N ATOM 1687 HD22 ASN B 72 28.337 13.502 24.731 1.00 0.00 H ATOM 1688 HD21 ASN B 72 27.023 12.270 24.742 1.00 0.00 H ATOM 1689 H ASN B 72 29.847 11.578 28.025 1.00 0.00 H ATOM 1690 N ARG B 73 33.021 12.420 27.237 1.00 31.76 N ATOM 1691 CA ARG B 73 34.442 12.811 27.417 1.00 31.48 C ATOM 1692 C ARG B 73 35.279 11.565 27.667 1.00 30.44 C ATOM 1693 O ARG B 73 36.296 11.336 27.014 1.00 29.52 O ATOM 1694 CB ARG B 73 34.674 13.755 28.625 1.00 32.43 C ATOM 1695 CG ARG B 73 33.925 15.086 28.661 1.00 33.27 C ATOM 1696 CD ARG B 73 34.486 16.036 29.728 1.00 32.32 C ATOM 1697 NE ARG B 73 33.923 15.856 31.074 1.00 31.94 N ATOM 1698 CZ ARG B 73 34.651 15.699 32.183 1.00 30.94 C ATOM 1699 NH1 ARG B 73 35.975 15.708 32.119 1.00 30.19 N ATOM 1700 NH2 ARG B 73 34.058 15.557 33.362 1.00 30.05 N ATOM 1701 HE ARG B 73 32.887 15.851 31.169 1.00 0.00 H ATOM 1702 HH12 ARG B 73 36.538 15.585 32.985 1.00 0.00 H ATOM 1703 HH11 ARG B 73 36.450 15.838 31.203 1.00 0.00 H ATOM 1704 HH22 ARG B 73 34.631 15.435 34.221 1.00 0.00 H ATOM 1705 HH21 ARG B 73 33.020 15.568 33.427 1.00 0.00 H ATOM 1706 H ARG B 73 32.304 12.865 27.845 1.00 0.00 H ATOM 1707 N SER B 74 34.819 10.770 28.629 1.00 29.75 N ATOM 1708 CA SER B 74 35.468 9.524 29.020 1.00 30.53 C ATOM 1709 C SER B 74 35.486 8.474 27.888 1.00 29.32 C ATOM 1710 O SER B 74 36.539 7.890 27.617 1.00 29.11 O ATOM 1711 CB SER B 74 34.789 8.947 30.267 1.00 31.35 C ATOM 1712 OG SER B 74 35.571 7.892 30.793 1.00 33.27 O ATOM 1713 HG SER B 74 35.128 7.524 31.598 1.00 0.00 H ATOM 1714 H SER B 74 33.951 11.052 29.128 1.00 0.00 H ATOM 1715 N TYR B 75 34.344 8.256 27.227 1.00 28.02 N ATOM 1716 CA TYR B 75 34.289 7.364 26.050 1.00 28.18 C ATOM 1717 C TYR B 75 35.273 7.790 24.966 1.00 28.78 C ATOM 1718 O TYR B 75 35.952 6.945 24.384 1.00 28.73 O ATOM 1719 CB TYR B 75 32.900 7.322 25.417 1.00 29.03 C ATOM 1720 CG TYR B 75 31.764 6.841 26.298 1.00 30.73 C ATOM 1721 CD1 TYR B 75 31.987 6.064 27.449 1.00 31.55 C ATOM 1722 CD2 TYR B 75 30.451 7.150 25.961 1.00 31.51 C ATOM 1723 CE1 TYR B 75 30.927 5.640 28.236 1.00 32.98 C ATOM 1724 CE2 TYR B 75 29.387 6.719 26.735 1.00 32.28 C ATOM 1725 CZ TYR B 75 29.623 5.967 27.862 1.00 32.82 C ATOM 1726 OH TYR B 75 28.552 5.556 28.615 1.00 34.84 O ATOM 1727 HH TYR B 75 28.055 6.348 28.940 1.00 0.00 H ATOM 1728 H TYR B 75 33.474 8.726 27.549 1.00 0.00 H ATOM 1729 N SER B 76 35.346 9.097 24.707 1.00 29.11 N ATOM 1730 CA SER B 76 36.265 9.659 23.717 1.00 29.33 C ATOM 1731 C SER B 76 37.721 9.357 24.045 1.00 29.73 C ATOM 1732 O SER B 76 38.498 8.989 23.161 1.00 28.61 O ATOM 1733 CB SER B 76 36.065 11.177 23.588 1.00 29.47 C ATOM 1734 OG SER B 76 34.737 11.500 23.189 1.00 30.20 O ATOM 1735 HG SER B 76 34.098 11.157 23.863 1.00 0.00 H ATOM 1736 H SER B 76 34.723 9.744 25.231 1.00 0.00 H ATOM 1737 N LYS B 77 38.082 9.506 25.317 1.00 30.90 N ATOM 1738 CA LYS B 77 39.452 9.228 25.774 1.00 32.47 C ATOM 1739 C LYS B 77 39.758 7.741 25.671 1.00 29.27 C ATOM 1740 O LYS B 77 40.811 7.356 25.165 1.00 27.34 O ATOM 1741 CB LYS B 77 39.662 9.713 27.215 1.00 35.22 C ATOM 1742 CG LYS B 77 41.114 9.728 27.677 1.00 37.83 C ATOM 1743 CD LYS B 77 41.235 10.468 29.006 1.00 40.97 C ATOM 1744 CE LYS B 77 42.656 10.452 29.552 1.00 43.86 C ATOM 1745 NZ LYS B 77 42.762 11.196 30.844 1.00 45.54 N ATOM 1746 HZ1 LYS B 77 42.479 12.186 30.697 1.00 0.00 H ATOM 1747 HZ2 LYS B 77 42.136 10.756 31.548 1.00 0.00 H ATOM 1748 HZ3 LYS B 77 43.745 11.162 31.183 1.00 0.00 H ATOM 1749 H LYS B 77 37.375 9.828 26.008 1.00 0.00 H ATOM 1750 N LEU B 78 38.827 6.918 26.147 1.00 27.93 N ATOM 1751 CA LEU B 78 38.943 5.469 25.990 1.00 28.08 C ATOM 1752 C LEU B 78 39.108 5.083 24.518 1.00 26.69 C ATOM 1753 O LEU B 78 40.099 4.428 24.147 1.00 25.20 O ATOM 1754 CB LEU B 78 37.724 4.762 26.577 1.00 28.95 C ATOM 1755 CG LEU B 78 37.641 3.246 26.351 1.00 30.44 C ATOM 1756 CD1 LEU B 78 38.878 2.529 26.874 1.00 30.72 C ATOM 1757 CD2 LEU B 78 36.386 2.695 26.996 1.00 30.48 C ATOM 1758 H LEU B 78 38.001 7.313 26.640 1.00 0.00 H ATOM 1759 N LEU B 79 38.155 5.524 23.691 1.00 24.43 N ATOM 1760 CA LEU B 79 38.076 5.070 22.294 1.00 23.59 C ATOM 1761 C LEU B 79 39.178 5.648 21.400 1.00 23.07 C ATOM 1762 O LEU B 79 39.805 4.902 20.643 1.00 23.27 O ATOM 1763 CB LEU B 79 36.670 5.311 21.720 1.00 23.36 C ATOM 1764 CG LEU B 79 35.555 4.530 22.445 1.00 22.87 C ATOM 1765 CD1 LEU B 79 34.198 5.099 22.088 1.00 23.35 C ATOM 1766 CD2 LEU B 79 35.612 3.043 22.149 1.00 22.61 C ATOM 1767 H LEU B 79 37.452 6.205 24.044 1.00 0.00 H ATOM 1768 N CYS B 80 39.464 6.947 21.510 1.00 22.53 N ATOM 1769 CA CYS B 80 40.625 7.517 20.792 1.00 22.22 C ATOM 1770 C CYS B 80 41.926 6.822 21.152 1.00 21.78 C ATOM 1771 O CYS B 80 42.779 6.599 20.277 1.00 22.61 O ATOM 1772 CB CYS B 80 40.770 9.016 21.033 1.00 21.84 C ATOM 1773 SG CYS B 80 39.463 9.996 20.277 1.00 21.01 S ATOM 1774 H CYS B 80 38.869 7.560 22.102 1.00 0.00 H ATOM 1775 N GLY B 81 42.077 6.475 22.428 1.00 21.52 N ATOM 1776 CA GLY B 81 43.248 5.722 22.896 1.00 21.71 C ATOM 1777 C GLY B 81 43.394 4.366 22.233 1.00 21.50 C ATOM 1778 O GLY B 81 44.473 4.005 21.776 1.00 21.20 O ATOM 1779 H GLY B 81 41.344 6.745 23.114 1.00 0.00 H ATOM 1780 N LEU B 82 42.292 3.623 22.181 1.00 22.98 N ATOM 1781 CA LEU B 82 42.243 2.324 21.504 1.00 23.74 C ATOM 1782 C LEU B 82 42.572 2.463 20.014 1.00 24.54 C ATOM 1783 O LEU B 82 43.279 1.631 19.451 1.00 24.25 O ATOM 1784 CB LEU B 82 40.867 1.681 21.689 1.00 24.48 C ATOM 1785 CG LEU B 82 40.613 1.026 23.060 1.00 25.54 C ATOM 1786 CD1 LEU B 82 39.148 1.014 23.492 1.00 24.90 C ATOM 1787 CD2 LEU B 82 41.153 -0.394 23.036 1.00 26.44 C ATOM 1788 H LEU B 82 41.429 3.979 22.640 1.00 0.00 H ATOM 1789 N LEU B 83 42.063 3.522 19.387 1.00 25.09 N ATOM 1790 CA LEU B 83 42.329 3.774 17.981 1.00 25.66 C ATOM 1791 C LEU B 83 43.765 4.235 17.761 1.00 27.07 C ATOM 1792 O LEU B 83 44.335 3.943 16.716 1.00 26.51 O ATOM 1793 CB LEU B 83 41.330 4.792 17.396 1.00 25.86 C ATOM 1794 CG LEU B 83 39.837 4.411 17.401 1.00 26.47 C ATOM 1795 CD1 LEU B 83 39.023 5.442 16.639 1.00 27.13 C ATOM 1796 CD2 LEU B 83 39.560 3.025 16.841 1.00 27.01 C ATOM 1797 H LEU B 83 41.461 4.184 19.916 1.00 0.00 H ATOM 1798 N ALA B 84 44.340 4.960 18.727 1.00 28.66 N ATOM 1799 CA ALA B 84 45.764 5.344 18.661 1.00 29.97 C ATOM 1800 C ALA B 84 46.688 4.150 18.851 1.00 30.61 C ATOM 1801 O ALA B 84 47.574 3.930 18.034 1.00 29.13 O ATOM 1802 CB ALA B 84 46.093 6.423 19.684 1.00 29.92 C ATOM 1803 H ALA B 84 43.770 5.260 19.544 1.00 0.00 H ATOM 1804 N GLU B 85 46.485 3.379 19.921 1.00 32.99 N ATOM 1805 CA GLU B 85 47.339 2.209 20.186 1.00 34.52 C ATOM 1806 C GLU B 85 47.203 1.128 19.104 1.00 31.77 C ATOM 1807 O GLU B 85 48.206 0.685 18.542 1.00 30.56 O ATOM 1808 CB GLU B 85 47.072 1.608 21.572 1.00 37.22 C ATOM 1809 CG GLU B 85 48.136 0.594 21.994 1.00 41.71 C ATOM 1810 CD GLU B 85 48.020 0.157 23.448 1.00 46.04 C ATOM 1811 OE1 GLU B 85 46.930 0.311 24.046 1.00 48.26 O ATOM 1812 OE2 GLU B 85 49.027 -0.355 23.995 1.00 50.63 O ATOM 1813 H GLU B 85 45.712 3.608 20.578 1.00 0.00 H ATOM 1814 N ARG B 86 45.972 0.737 18.791 1.00 30.49 N ATOM 1815 CA ARG B 86 45.737 -0.403 17.885 1.00 29.09 C ATOM 1816 C ARG B 86 45.760 -0.069 16.406 1.00 27.43 C ATOM 1817 O ARG B 86 46.251 -0.869 15.627 1.00 25.33 O ATOM 1818 CB ARG B 86 44.414 -1.100 18.207 1.00 29.94 C ATOM 1819 CG ARG B 86 44.228 -1.506 19.659 1.00 31.22 C ATOM 1820 CD ARG B 86 45.410 -2.280 20.219 1.00 32.19 C ATOM 1821 NE ARG B 86 45.138 -2.752 21.574 1.00 33.40 N ATOM 1822 CZ ARG B 86 46.042 -3.302 22.384 1.00 34.10 C ATOM 1823 NH1 ARG B 86 47.310 -3.452 22.006 1.00 33.05 N ATOM 1824 NH2 ARG B 86 45.671 -3.706 23.597 1.00 34.97 N ATOM 1825 HE ARG B 86 44.167 -2.651 21.933 1.00 0.00 H ATOM 1826 HH12 ARG B 86 47.998 -3.884 22.655 1.00 0.00 H ATOM 1827 HH11 ARG B 86 47.612 -3.137 21.062 1.00 0.00 H ATOM 1828 HH22 ARG B 86 46.368 -4.137 24.237 1.00 0.00 H ATOM 1829 HH21 ARG B 86 44.684 -3.591 23.904 1.00 0.00 H ATOM 1830 H ARG B 86 45.158 1.245 19.193 1.00 0.00 H ATOM 1831 N LEU B 87 45.186 1.069 16.009 1.00 28.83 N ATOM 1832 CA LEU B 87 45.133 1.464 14.577 1.00 28.98 C ATOM 1833 C LEU B 87 46.103 2.574 14.189 1.00 29.12 C ATOM 1834 O LEU B 87 46.244 2.872 13.004 1.00 29.37 O ATOM 1835 CB LEU B 87 43.699 1.824 14.159 1.00 29.03 C ATOM 1836 CG LEU B 87 42.656 0.688 14.202 1.00 29.69 C ATOM 1837 CD1 LEU B 87 41.290 1.137 13.693 1.00 28.79 C ATOM 1838 CD2 LEU B 87 43.110 -0.525 13.404 1.00 29.53 C ATOM 1839 H LEU B 87 44.764 1.697 16.722 1.00 0.00 H ATOM 1840 N ARG B 88 46.788 3.152 15.174 1.00 30.18 N ATOM 1841 CA ARG B 88 47.802 4.190 14.957 1.00 32.70 C ATOM 1842 C ARG B 88 47.216 5.446 14.277 1.00 31.59 C ATOM 1843 O ARG B 88 47.829 6.034 13.375 1.00 33.80 O ATOM 1844 CB ARG B 88 49.039 3.599 14.253 1.00 35.64 C ATOM 1845 CG ARG B 88 49.712 2.495 15.075 1.00 38.86 C ATOM 1846 CD ARG B 88 50.885 1.824 14.361 1.00 43.55 C ATOM 1847 NE ARG B 88 52.189 2.438 14.684 1.00 48.14 N ATOM 1848 CZ ARG B 88 52.833 3.383 13.975 1.00 49.05 C ATOM 1849 NH1 ARG B 88 52.335 3.894 12.843 1.00 47.33 N ATOM 1850 NH2 ARG B 88 54.012 3.832 14.414 1.00 48.28 N ATOM 1851 HE ARG B 88 52.659 2.105 15.550 1.00 0.00 H ATOM 1852 HH12 ARG B 88 52.865 4.623 12.325 1.00 0.00 H ATOM 1853 HH11 ARG B 88 51.418 3.562 12.482 1.00 0.00 H ATOM 1854 HH22 ARG B 88 54.523 4.562 13.878 1.00 0.00 H ATOM 1855 HH21 ARG B 88 54.419 3.451 15.292 1.00 0.00 H ATOM 1856 H ARG B 88 46.594 2.851 16.150 1.00 0.00 H ATOM 1857 N ILE B 89 46.023 5.835 14.749 1.00 29.59 N ATOM 1858 CA ILE B 89 45.304 7.033 14.303 1.00 28.43 C ATOM 1859 C ILE B 89 45.396 8.067 15.426 1.00 28.00 C ATOM 1860 O ILE B 89 45.018 7.784 16.577 1.00 26.23 O ATOM 1861 CB ILE B 89 43.796 6.781 14.010 1.00 28.20 C ATOM 1862 CG1 ILE B 89 43.588 5.612 13.031 1.00 28.23 C ATOM 1863 CG2 ILE B 89 43.143 8.046 13.445 1.00 27.73 C ATOM 1864 CD1 ILE B 89 42.153 5.112 12.973 1.00 28.76 C ATOM 1865 H ILE B 89 45.577 5.247 15.482 1.00 0.00 H ATOM 1866 N SER B 90 45.883 9.259 15.079 1.00 26.98 N ATOM 1867 CA SER B 90 46.017 10.337 16.035 1.00 27.27 C ATOM 1868 C SER B 90 44.633 10.758 16.496 1.00 26.48 C ATOM 1869 O SER B 90 43.734 10.906 15.664 1.00 25.65 O ATOM 1870 CB SER B 90 46.741 11.526 15.414 1.00 29.01 C ATOM 1871 OG SER B 90 46.689 12.632 16.298 1.00 32.26 O ATOM 1872 HG SER B 90 45.744 12.874 16.467 1.00 0.00 H ATOM 1873 H SER B 90 46.175 9.418 14.094 1.00 0.00 H ATOM 1874 N PRO B 91 44.444 10.942 17.818 1.00 25.86 N ATOM 1875 CA PRO B 91 43.134 11.357 18.321 1.00 24.95 C ATOM 1876 C PRO B 91 42.532 12.601 17.657 1.00 25.36 C ATOM 1877 O PRO B 91 41.303 12.693 17.534 1.00 26.11 O ATOM 1878 CB PRO B 91 43.400 11.612 19.807 1.00 25.08 C ATOM 1879 CG PRO B 91 44.514 10.689 20.153 1.00 25.25 C ATOM 1880 CD PRO B 91 45.369 10.598 18.920 1.00 25.59 C ATOM 1881 N ASP B 92 43.369 13.547 17.240 1.00 24.52 N ATOM 1882 CA ASP B 92 42.875 14.742 16.553 1.00 24.67 C ATOM 1883 C ASP B 92 42.385 14.522 15.105 1.00 24.61 C ATOM 1884 O ASP B 92 41.923 15.479 14.486 1.00 24.74 O ATOM 1885 CB ASP B 92 43.869 15.928 16.660 1.00 25.06 C ATOM 1886 CG ASP B 92 45.204 15.688 15.957 1.00 25.15 C ATOM 1887 OD1 ASP B 92 45.336 14.716 15.188 1.00 26.60 O ATOM 1888 OD2 ASP B 92 46.130 16.500 16.179 1.00 24.17 O ATOM 1889 H ASP B 92 44.390 13.436 17.404 1.00 0.00 H ATOM 1890 N ARG B 93 42.490 13.290 14.579 1.00 24.26 N ATOM 1891 CA ARG B 93 41.845 12.886 13.311 1.00 23.63 C ATOM 1892 C ARG B 93 40.766 11.796 13.530 1.00 22.73 C ATOM 1893 O ARG B 93 40.576 10.908 12.691 1.00 22.22 O ATOM 1894 CB ARG B 93 42.902 12.437 12.292 1.00 23.51 C ATOM 1895 CG ARG B 93 43.969 13.485 12.003 1.00 23.85 C ATOM 1896 CD ARG B 93 45.005 12.985 11.006 1.00 24.58 C ATOM 1897 NE ARG B 93 44.435 12.734 9.681 1.00 25.67 N ATOM 1898 CZ ARG B 93 44.159 13.670 8.766 1.00 27.27 C ATOM 1899 NH1 ARG B 93 44.388 14.956 9.017 1.00 27.97 N ATOM 1900 NH2 ARG B 93 43.627 13.328 7.584 1.00 27.45 N ATOM 1901 HE ARG B 93 44.227 11.746 9.430 1.00 0.00 H ATOM 1902 HH12 ARG B 93 44.169 15.673 8.297 1.00 0.00 H ATOM 1903 HH11 ARG B 93 44.786 15.244 9.934 1.00 0.00 H ATOM 1904 HH22 ARG B 93 43.415 14.061 6.877 1.00 0.00 H ATOM 1905 HH21 ARG B 93 43.426 12.330 7.374 1.00 0.00 H ATOM 1906 H ARG B 93 43.055 12.583 15.091 1.00 0.00 H ATOM 1907 N VAL B 94 40.051 11.899 14.652 1.00 22.41 N ATOM 1908 CA VAL B 94 38.947 10.995 15.005 1.00 23.17 C ATOM 1909 C VAL B 94 37.718 11.812 15.380 1.00 23.36 C ATOM 1910 O VAL B 94 37.808 12.672 16.255 1.00 23.90 O ATOM 1911 CB VAL B 94 39.294 10.109 16.234 1.00 22.84 C ATOM 1912 CG1 VAL B 94 38.085 9.293 16.690 1.00 22.21 C ATOM 1913 CG2 VAL B 94 40.475 9.202 15.923 1.00 23.06 C ATOM 1914 H VAL B 94 40.289 12.664 15.316 1.00 0.00 H ATOM 1915 N TYR B 95 36.579 11.523 14.751 1.00 24.15 N ATOM 1916 CA TYR B 95 35.262 11.946 15.277 1.00 24.67 C ATOM 1917 C TYR B 95 34.476 10.736 15.770 1.00 23.68 C ATOM 1918 O TYR B 95 34.500 9.683 15.133 1.00 23.92 O ATOM 1919 CB TYR B 95 34.421 12.673 14.216 1.00 25.33 C ATOM 1920 CG TYR B 95 34.881 14.066 13.818 1.00 25.54 C ATOM 1921 CD1 TYR B 95 35.352 14.980 14.765 1.00 26.33 C ATOM 1922 CD2 TYR B 95 34.795 14.492 12.488 1.00 26.09 C ATOM 1923 CE1 TYR B 95 35.762 16.259 14.392 1.00 26.17 C ATOM 1924 CE2 TYR B 95 35.196 15.773 12.106 1.00 25.68 C ATOM 1925 CZ TYR B 95 35.673 16.653 13.060 1.00 25.88 C ATOM 1926 OH TYR B 95 36.067 17.918 12.702 1.00 25.39 O ATOM 1927 HH TYR B 95 35.302 18.399 12.298 1.00 0.00 H ATOM 1928 H TYR B 95 36.617 10.983 13.863 1.00 0.00 H ATOM 1929 N ILE B 96 33.786 10.895 16.897 1.00 23.24 N ATOM 1930 CA ILE B 96 32.851 9.901 17.416 1.00 22.72 C ATOM 1931 C ILE B 96 31.529 10.617 17.678 1.00 23.50 C ATOM 1932 O ILE B 96 31.434 11.442 18.595 1.00 23.63 O ATOM 1933 CB ILE B 96 33.318 9.260 18.750 1.00 22.56 C ATOM 1934 CG1 ILE B 96 34.763 8.768 18.684 1.00 22.16 C ATOM 1935 CG2 ILE B 96 32.395 8.110 19.138 1.00 22.69 C ATOM 1936 CD1 ILE B 96 35.372 8.587 20.062 1.00 22.69 C ATOM 1937 H ILE B 96 33.920 11.774 17.437 1.00 0.00 H ATOM 1938 N ASN B 97 30.509 10.309 16.881 1.00 23.64 N ATOM 1939 CA ASN B 97 29.185 10.896 17.077 1.00 23.07 C ATOM 1940 C ASN B 97 28.421 10.047 18.079 1.00 23.70 C ATOM 1941 O ASN B 97 28.249 8.854 17.889 1.00 22.79 O ATOM 1942 CB ASN B 97 28.408 11.002 15.768 1.00 22.71 C ATOM 1943 CG ASN B 97 28.941 12.083 14.862 1.00 23.29 C ATOM 1944 OD1 ASN B 97 28.185 12.868 14.289 1.00 23.82 O ATOM 1945 ND2 ASN B 97 30.253 12.135 14.733 1.00 23.56 N ATOM 1946 HD22 ASN B 97 30.853 11.451 15.237 1.00 0.00 H ATOM 1947 HD21 ASN B 97 30.688 12.860 14.128 1.00 0.00 H ATOM 1948 H ASN B 97 30.657 9.636 16.102 1.00 0.00 H ATOM 1949 N TYR B 98 27.976 10.672 19.158 1.00 24.89 N ATOM 1950 CA TYR B 98 27.221 9.988 20.181 1.00 25.13 C ATOM 1951 C TYR B 98 25.738 10.227 19.914 1.00 26.35 C ATOM 1952 O TYR B 98 25.353 11.303 19.475 1.00 27.83 O ATOM 1953 CB TYR B 98 27.660 10.493 21.549 1.00 25.09 C ATOM 1954 CG TYR B 98 29.120 10.195 21.852 1.00 25.18 C ATOM 1955 CD1 TYR B 98 29.519 8.932 22.275 1.00 26.04 C ATOM 1956 CD2 TYR B 98 30.092 11.172 21.730 1.00 25.55 C ATOM 1957 CE1 TYR B 98 30.853 8.645 22.559 1.00 26.17 C ATOM 1958 CE2 TYR B 98 31.427 10.900 22.008 1.00 26.51 C ATOM 1959 CZ TYR B 98 31.810 9.635 22.424 1.00 26.68 C ATOM 1960 OH TYR B 98 33.147 9.378 22.706 1.00 26.34 O ATOM 1961 HH TYR B 98 33.450 9.975 23.435 1.00 0.00 H ATOM 1962 H TYR B 98 28.176 11.686 19.272 1.00 0.00 H ATOM 1963 N TYR B 99 24.916 9.205 20.133 1.00 27.47 N ATOM 1964 CA TYR B 99 23.470 9.294 19.957 1.00 27.11 C ATOM 1965 C TYR B 99 22.775 8.614 21.127 1.00 28.97 C ATOM 1966 O TYR B 99 23.129 7.482 21.492 1.00 29.22 O ATOM 1967 CB TYR B 99 23.043 8.614 18.657 1.00 27.59 C ATOM 1968 CG TYR B 99 23.670 9.226 17.431 1.00 27.35 C ATOM 1969 CD1 TYR B 99 23.135 10.377 16.842 1.00 26.74 C ATOM 1970 CD2 TYR B 99 24.814 8.673 16.869 1.00 26.66 C ATOM 1971 CE1 TYR B 99 23.728 10.952 15.720 1.00 26.67 C ATOM 1972 CE2 TYR B 99 25.417 9.242 15.751 1.00 26.79 C ATOM 1973 CZ TYR B 99 24.869 10.371 15.171 1.00 26.75 C ATOM 1974 OH TYR B 99 25.481 10.913 14.062 1.00 25.91 O ATOM 1975 HH TYR B 99 25.498 10.241 13.335 1.00 0.00 H ATOM 1976 H TYR B 99 25.323 8.300 20.444 1.00 0.00 H ATOM 1977 N ASP B 100 21.802 9.316 21.709 1.00 29.36 N ATOM 1978 CA ASP B 100 20.965 8.805 22.784 1.00 29.82 C ATOM 1979 C ASP B 100 19.645 8.348 22.174 1.00 29.90 C ATOM 1980 O ASP B 100 18.721 9.136 22.020 1.00 29.31 O ATOM 1981 CB ASP B 100 20.748 9.895 23.846 1.00 30.62 C ATOM 1982 CG ASP B 100 19.986 9.393 25.088 1.00 31.90 C ATOM 1983 OD1 ASP B 100 19.435 8.267 25.083 1.00 32.00 O ATOM 1984 OD2 ASP B 100 19.934 10.146 26.083 1.00 31.13 O ATOM 1985 H ASP B 100 21.631 10.286 21.375 1.00 0.00 H ATOM 1986 N MET B 101 19.554 7.065 21.839 1.00 31.37 N ATOM 1987 CA MET B 101 18.334 6.518 21.225 1.00 32.12 C ATOM 1988 C MET B 101 17.218 6.310 22.262 1.00 34.79 C ATOM 1989 O MET B 101 17.471 5.821 23.373 1.00 34.80 O ATOM 1990 CB MET B 101 18.631 5.178 20.545 1.00 31.05 C ATOM 1991 CG MET B 101 19.707 5.216 19.462 1.00 30.38 C ATOM 1992 SD MET B 101 19.344 6.283 18.056 1.00 28.45 S ATOM 1993 CE MET B 101 17.868 5.523 17.378 1.00 28.00 C ATOM 1994 H MET B 101 20.362 6.434 22.015 1.00 0.00 H ATOM 1995 N ASN B 102 15.994 6.700 21.897 1.00 36.99 N ATOM 1996 CA ASN B 102 14.824 6.410 22.717 1.00 37.31 C ATOM 1997 C ASN B 102 14.515 4.916 22.541 1.00 38.23 C ATOM 1998 O ASN B 102 14.710 4.361 21.469 1.00 39.15 O ATOM 1999 CB ASN B 102 13.634 7.307 22.328 1.00 36.70 C ATOM 2000 CG ASN B 102 13.931 8.798 22.512 1.00 35.56 C ATOM 2001 OD1 ASN B 102 14.385 9.235 23.575 1.00 34.05 O ATOM 2002 ND2 ASN B 102 13.672 9.583 21.469 1.00 34.34 N ATOM 2003 HD22 ASN B 102 13.290 9.174 20.592 1.00 0.00 H ATOM 2004 HD21 ASN B 102 13.851 10.606 21.531 1.00 0.00 H ATOM 2005 H ASN B 102 15.873 7.223 21.006 1.00 0.00 H ATOM 2006 N ALA B 103 14.053 4.274 23.612 1.00 40.75 N ATOM 2007 CA ALA B 103 13.823 2.818 23.622 1.00 39.60 C ATOM 2008 C ALA B 103 12.883 2.321 22.531 1.00 36.86 C ATOM 2009 O ALA B 103 13.073 1.226 21.996 1.00 34.46 O ATOM 2010 CB ALA B 103 13.307 2.384 24.986 1.00 41.68 C ATOM 2011 H ALA B 103 13.847 4.820 24.473 1.00 0.00 H ATOM 2012 N ALA B 104 11.878 3.130 22.208 1.00 35.76 N ATOM 2013 CA ALA B 104 10.899 2.780 21.173 1.00 35.65 C ATOM 2014 C ALA B 104 11.459 2.808 19.753 1.00 34.48 C ATOM 2015 O ALA B 104 10.841 2.238 18.852 1.00 36.63 O ATOM 2016 CB ALA B 104 9.671 3.688 21.264 1.00 35.84 C ATOM 2017 H ALA B 104 11.783 4.039 22.705 1.00 0.00 H ATOM 2018 N ASN B 105 12.604 3.469 19.553 1.00 32.17 N ATOM 2019 CA ASN B 105 13.235 3.587 18.229 1.00 31.23 C ATOM 2020 C ASN B 105 14.410 2.619 18.000 1.00 30.75 C ATOM 2021 O ASN B 105 15.201 2.809 17.081 1.00 29.40 O ATOM 2022 CB ASN B 105 13.705 5.041 18.017 1.00 30.62 C ATOM 2023 CG ASN B 105 12.553 6.045 17.975 1.00 29.50 C ATOM 2024 OD1 ASN B 105 11.443 5.722 17.562 1.00 28.58 O ATOM 2025 ND2 ASN B 105 12.832 7.281 18.388 1.00 28.81 N ATOM 2026 HD22 ASN B 105 13.786 7.512 18.731 1.00 0.00 H ATOM 2027 HD21 ASN B 105 12.095 8.015 18.368 1.00 0.00 H ATOM 2028 H ASN B 105 13.068 3.919 20.368 1.00 0.00 H ATOM 2029 N VAL B 106 14.518 1.579 18.819 1.00 31.05 N ATOM 2030 CA VAL B 106 15.589 0.598 18.696 1.00 31.20 C ATOM 2031 C VAL B 106 14.919 -0.757 18.601 1.00 30.31 C ATOM 2032 O VAL B 106 14.432 -1.269 19.594 1.00 29.74 O ATOM 2033 CB VAL B 106 16.551 0.646 19.906 1.00 31.60 C ATOM 2034 CG1 VAL B 106 17.625 -0.432 19.799 1.00 32.44 C ATOM 2035 CG2 VAL B 106 17.199 2.020 20.028 1.00 31.43 C ATOM 2036 H VAL B 106 13.813 1.460 19.575 1.00 0.00 H ATOM 2037 N GLY B 107 14.866 -1.303 17.392 1.00 30.27 N ATOM 2038 CA GLY B 107 14.343 -2.637 17.143 1.00 30.44 C ATOM 2039 C GLY B 107 15.350 -3.757 17.371 1.00 31.21 C ATOM 2040 O GLY B 107 16.533 -3.599 17.090 1.00 29.48 O ATOM 2041 H GLY B 107 15.215 -0.750 16.584 1.00 0.00 H ATOM 2042 N TRP B 108 14.864 -4.898 17.859 1.00 33.60 N ATOM 2043 CA TRP B 108 15.703 -6.064 18.174 1.00 36.38 C ATOM 2044 C TRP B 108 14.808 -7.263 18.493 1.00 36.47 C ATOM 2045 O TRP B 108 13.860 -7.132 19.265 1.00 34.56 O ATOM 2046 CB TRP B 108 16.627 -5.760 19.371 1.00 38.14 C ATOM 2047 CG TRP B 108 17.362 -6.958 19.952 1.00 40.09 C ATOM 2048 CD1 TRP B 108 18.511 -7.530 19.482 1.00 39.46 C ATOM 2049 CD2 TRP B 108 16.992 -7.706 21.116 1.00 42.51 C ATOM 2050 NE1 TRP B 108 18.873 -8.589 20.273 1.00 41.21 N ATOM 2051 CE2 TRP B 108 17.961 -8.722 21.286 1.00 42.92 C ATOM 2052 CE3 TRP B 108 15.930 -7.622 22.031 1.00 43.86 C ATOM 2053 CZ2 TRP B 108 17.902 -9.656 22.338 1.00 44.53 C ATOM 2054 CZ3 TRP B 108 15.871 -8.553 23.086 1.00 45.07 C ATOM 2055 CH2 TRP B 108 16.854 -9.554 23.225 1.00 45.02 C ATOM 2056 HE1 TRP B 108 19.706 -9.194 20.127 1.00 0.00 H ATOM 2057 H TRP B 108 13.840 -4.967 18.025 1.00 0.00 H ATOM 2058 N ASN B 109 15.118 -8.412 17.889 1.00 38.03 N ATOM 2059 CA ASN B 109 14.446 -9.687 18.183 1.00 39.66 C ATOM 2060 C ASN B 109 12.926 -9.597 17.987 1.00 40.46 C ATOM 2061 O ASN B 109 12.136 -9.860 18.898 1.00 40.95 O ATOM 2062 CB ASN B 109 14.818 -10.160 19.597 1.00 39.79 C ATOM 2063 CG ASN B 109 14.391 -11.598 19.879 1.00 39.22 C ATOM 2064 OD1 ASN B 109 14.300 -12.437 18.974 1.00 37.26 O ATOM 2065 ND2 ASN B 109 14.124 -11.882 21.152 1.00 37.78 N ATOM 2066 HD22 ASN B 109 14.214 -11.144 21.879 1.00 0.00 H ATOM 2067 HD21 ASN B 109 13.825 -12.842 21.419 1.00 0.00 H ATOM 2068 H ASN B 109 15.873 -8.406 17.174 1.00 0.00 H ATOM 2069 N ASN B 110 12.548 -9.181 16.782 1.00 42.08 N ATOM 2070 CA ASN B 110 11.146 -9.069 16.347 1.00 42.82 C ATOM 2071 C ASN B 110 10.286 -8.021 17.081 1.00 39.88 C ATOM 2072 O ASN B 110 9.063 -8.011 16.928 1.00 39.04 O ATOM 2073 CB ASN B 110 10.468 -10.455 16.354 1.00 43.16 C ATOM 2074 CG ASN B 110 11.090 -11.399 15.352 1.00 44.57 C ATOM 2075 OD1 ASN B 110 11.162 -11.091 14.168 1.00 46.25 O ATOM 2076 ND2 ASN B 110 11.539 -12.553 15.816 1.00 45.80 N ATOM 2077 HD22 ASN B 110 11.457 -12.773 16.829 1.00 0.00 H ATOM 2078 HD21 ASN B 110 11.974 -13.240 15.168 1.00 0.00 H ATOM 2079 H ASN B 110 13.291 -8.918 16.103 1.00 0.00 H ATOM 2080 N SER B 111 10.925 -7.121 17.827 1.00 39.40 N ATOM 2081 CA SER B 111 10.218 -6.090 18.601 1.00 40.06 C ATOM 2082 C SER B 111 11.127 -4.875 18.842 1.00 39.40 C ATOM 2083 O SER B 111 12.138 -4.729 18.168 1.00 38.46 O ATOM 2084 CB SER B 111 9.708 -6.676 19.923 1.00 38.80 C ATOM 2085 OG SER B 111 8.827 -5.769 20.560 1.00 37.82 O ATOM 2086 HG SER B 111 8.508 -6.163 21.410 1.00 0.00 H ATOM 2087 H SER B 111 11.964 -7.149 17.863 1.00 0.00 H ATOM 2088 N THR B 112 10.744 -3.994 19.766 1.00 41.00 N ATOM 2089 CA THR B 112 11.576 -2.861 20.173 1.00 41.87 C ATOM 2090 C THR B 112 11.856 -2.973 21.664 1.00 43.19 C ATOM 2091 O THR B 112 11.368 -3.892 22.311 1.00 43.85 O ATOM 2092 CB THR B 112 10.914 -1.505 19.823 1.00 41.25 C ATOM 2093 OG1 THR B 112 9.649 -1.384 20.479 1.00 42.79 O ATOM 2094 CG2 THR B 112 10.700 -1.393 18.325 1.00 41.40 C ATOM 2095 HG1 THR B 112 9.239 -0.513 20.246 1.00 0.00 H ATOM 2096 H THR B 112 9.815 -4.117 20.217 1.00 0.00 H ATOM 2097 N PHE B 113 12.661 -2.052 22.196 1.00 46.00 N ATOM 2098 CA PHE B 113 13.005 -2.021 23.631 1.00 47.03 C ATOM 2099 C PHE B 113 12.000 -1.225 24.485 1.00 49.53 C ATOM 2100 O PHE B 113 12.226 -1.040 25.696 1.00 50.76 O ATOM 2101 CB PHE B 113 14.426 -1.449 23.835 1.00 47.13 C ATOM 2102 CG PHE B 113 15.531 -2.441 23.588 1.00 47.56 C ATOM 2103 CD1 PHE B 113 16.015 -2.652 22.310 1.00 48.20 C ATOM 2104 CD2 PHE B 113 16.106 -3.142 24.640 1.00 49.35 C ATOM 2105 CE1 PHE B 113 17.037 -3.558 22.070 1.00 49.66 C ATOM 2106 CE2 PHE B 113 17.131 -4.049 24.415 1.00 50.62 C ATOM 2107 CZ PHE B 113 17.600 -4.259 23.124 1.00 51.01 C ATOM 2108 H PHE B 113 13.064 -1.324 21.572 1.00 0.00 H ATOM 2109 N ALA B 114 10.903 -0.755 23.880 1.00 50.00 N ATOM 2110 CA ALA B 114 9.880 0.002 24.612 1.00 52.44 C ATOM 2111 C ALA B 114 9.287 -0.825 25.761 1.00 52.44 C ATOM 2112 O ALA B 114 9.455 -0.487 26.934 1.00 49.94 O ATOM 2113 CB ALA B 114 8.781 0.471 23.664 1.00 52.43 C ATOM 2114 OXT ALA B 114 8.658 -1.862 25.543 1.00 54.31 O ATOM 2115 H ALA B 114 10.771 -0.931 22.863 1.00 0.00 H TER 2116 ALA B 114 ATOM 2117 N PRO C 1 31.719 20.567 8.900 1.00 30.45 N ATOM 2118 CA PRO C 1 30.845 19.413 9.098 1.00 29.08 C ATOM 2119 C PRO C 1 31.434 18.082 8.612 1.00 27.17 C ATOM 2120 O PRO C 1 32.510 18.055 8.023 1.00 26.36 O ATOM 2121 CB PRO C 1 29.612 19.778 8.247 1.00 30.10 C ATOM 2122 CG PRO C 1 30.136 20.726 7.217 1.00 30.15 C ATOM 2123 CD PRO C 1 31.082 21.561 8.019 1.00 30.13 C ATOM 2124 HN2 PRO C 1 32.610 20.250 8.468 1.00 0.00 H ATOM 2125 HN1 PRO C 1 31.919 21.006 9.821 1.00 0.00 H ATOM 2126 N MET C 2 30.698 17.000 8.845 1.00 25.68 N ATOM 2127 CA MET C 2 31.070 15.672 8.371 1.00 24.93 C ATOM 2128 C MET C 2 30.139 15.234 7.231 1.00 23.36 C ATOM 2129 O MET C 2 28.950 15.065 7.447 1.00 23.85 O ATOM 2130 CB MET C 2 30.971 14.699 9.542 1.00 25.21 C ATOM 2131 CG MET C 2 31.343 13.273 9.212 1.00 25.54 C ATOM 2132 SD MET C 2 31.329 12.234 10.672 1.00 25.70 S ATOM 2133 CE MET C 2 29.626 12.345 11.184 1.00 24.95 C ATOM 2134 H MET C 2 29.818 17.105 9.389 1.00 0.00 H ATOM 2135 N PHE C 3 30.690 15.037 6.037 1.00 22.49 N ATOM 2136 CA PHE C 3 29.923 14.625 4.865 1.00 22.86 C ATOM 2137 C PHE C 3 30.242 13.190 4.447 1.00 23.50 C ATOM 2138 O PHE C 3 31.406 12.868 4.242 1.00 24.59 O ATOM 2139 CB PHE C 3 30.179 15.562 3.681 1.00 22.45 C ATOM 2140 CG PHE C 3 29.269 15.312 2.505 1.00 21.77 C ATOM 2141 CD1 PHE C 3 27.888 15.323 2.663 1.00 21.60 C ATOM 2142 CD2 PHE C 3 29.786 15.079 1.237 1.00 22.28 C ATOM 2143 CE1 PHE C 3 27.044 15.086 1.589 1.00 21.40 C ATOM 2144 CE2 PHE C 3 28.946 14.859 0.152 1.00 22.16 C ATOM 2145 CZ PHE C 3 27.575 14.860 0.329 1.00 21.36 C ATOM 2146 H PHE C 3 31.714 15.183 5.933 1.00 0.00 H ATOM 2147 N ILE C 4 29.207 12.349 4.306 1.00 23.20 N ATOM 2148 CA ILE C 4 29.362 10.930 3.962 1.00 23.31 C ATOM 2149 C ILE C 4 28.528 10.573 2.725 1.00 24.47 C ATOM 2150 O ILE C 4 27.323 10.749 2.741 1.00 25.14 O ATOM 2151 CB ILE C 4 28.927 10.013 5.133 1.00 23.14 C ATOM 2152 CG1 ILE C 4 29.690 10.357 6.425 1.00 23.03 C ATOM 2153 CG2 ILE C 4 29.147 8.532 4.787 1.00 22.84 C ATOM 2154 CD1 ILE C 4 28.978 9.889 7.675 1.00 22.95 C ATOM 2155 H ILE C 4 28.246 12.721 4.447 1.00 0.00 H ATOM 2156 N VAL C 5 29.169 10.068 1.668 1.00 25.33 N ATOM 2157 CA VAL C 5 28.480 9.597 0.449 1.00 25.62 C ATOM 2158 C VAL C 5 28.569 8.068 0.323 1.00 26.39 C ATOM 2159 O VAL C 5 29.672 7.494 0.339 1.00 27.24 O ATOM 2160 CB VAL C 5 29.079 10.203 -0.854 1.00 25.51 C ATOM 2161 CG1 VAL C 5 28.170 9.912 -2.037 1.00 25.40 C ATOM 2162 CG2 VAL C 5 29.286 11.707 -0.740 1.00 25.75 C ATOM 2163 H VAL C 5 30.206 10.003 1.705 1.00 0.00 H ATOM 2164 N ASN C 6 27.413 7.418 0.184 1.00 25.87 N ATOM 2165 CA ASN C 6 27.341 5.999 -0.157 1.00 26.37 C ATOM 2166 C ASN C 6 26.679 5.917 -1.515 1.00 26.71 C ATOM 2167 O ASN C 6 25.631 6.521 -1.710 1.00 26.55 O ATOM 2168 CB ASN C 6 26.492 5.245 0.861 1.00 27.12 C ATOM 2169 CG ASN C 6 27.194 5.055 2.189 1.00 26.27 C ATOM 2170 OD1 ASN C 6 26.985 5.820 3.111 1.00 26.86 O ATOM 2171 ND2 ASN C 6 28.016 4.034 2.289 1.00 26.46 N ATOM 2172 HD22 ASN C 6 28.165 3.405 1.475 1.00 0.00 H ATOM 2173 HD21 ASN C 6 28.517 3.856 3.183 1.00 0.00 H ATOM 2174 H ASN C 6 26.526 7.943 0.324 1.00 0.00 H ATOM 2175 N THR C 7 27.275 5.170 -2.442 1.00 26.79 N ATOM 2176 CA THR C 7 26.802 5.125 -3.830 1.00 26.61 C ATOM 2177 C THR C 7 27.134 3.791 -4.480 1.00 27.83 C ATOM 2178 O THR C 7 28.044 3.089 -4.034 1.00 28.45 O ATOM 2179 CB THR C 7 27.410 6.266 -4.684 1.00 26.70 C ATOM 2180 OG1 THR C 7 26.921 6.194 -6.029 1.00 25.74 O ATOM 2181 CG2 THR C 7 28.950 6.193 -4.719 1.00 26.09 C ATOM 2182 HG1 THR C 7 25.935 6.282 -6.026 1.00 0.00 H ATOM 2183 H THR C 7 28.102 4.600 -2.174 1.00 0.00 H ATOM 2184 N ASN C 8 26.383 3.464 -5.534 1.00 29.11 N ATOM 2185 CA ASN C 8 26.627 2.264 -6.366 1.00 30.59 C ATOM 2186 C ASN C 8 27.519 2.566 -7.586 1.00 31.57 C ATOM 2187 O ASN C 8 27.903 1.654 -8.330 1.00 31.15 O ATOM 2188 CB ASN C 8 25.307 1.568 -6.774 1.00 30.95 C ATOM 2189 CG ASN C 8 24.330 2.488 -7.471 1.00 31.18 C ATOM 2190 OD1 ASN C 8 24.521 3.697 -7.516 1.00 33.17 O ATOM 2191 ND2 ASN C 8 23.261 1.917 -7.995 1.00 32.81 N ATOM 2192 HD22 ASN C 8 23.139 0.886 -7.934 1.00 0.00 H ATOM 2193 HD21 ASN C 8 22.541 2.498 -8.469 1.00 0.00 H ATOM 2194 H ASN C 8 25.586 4.084 -5.783 1.00 0.00 H ATOM 2195 N VAL C 9 27.855 3.845 -7.763 1.00 33.04 N ATOM 2196 CA VAL C 9 28.856 4.285 -8.729 1.00 34.24 C ATOM 2197 C VAL C 9 30.199 3.612 -8.366 1.00 37.42 C ATOM 2198 O VAL C 9 30.577 3.600 -7.191 1.00 37.93 O ATOM 2199 CB VAL C 9 28.974 5.826 -8.720 1.00 34.67 C ATOM 2200 CG1 VAL C 9 30.180 6.311 -9.514 1.00 36.57 C ATOM 2201 CG2 VAL C 9 27.705 6.449 -9.281 1.00 34.02 C ATOM 2202 H VAL C 9 27.379 4.565 -7.183 1.00 0.00 H ATOM 2203 N PRO C 10 30.904 3.020 -9.355 1.00 39.81 N ATOM 2204 CA PRO C 10 32.106 2.255 -8.991 1.00 41.27 C ATOM 2205 C PRO C 10 33.317 3.106 -8.577 1.00 42.42 C ATOM 2206 O PRO C 10 33.354 4.315 -8.821 1.00 40.30 O ATOM 2207 CB PRO C 10 32.419 1.452 -10.263 1.00 41.96 C ATOM 2208 CG PRO C 10 31.216 1.593 -11.143 1.00 41.67 C ATOM 2209 CD PRO C 10 30.632 2.921 -10.801 1.00 40.57 C ATOM 2210 N ARG C 11 34.289 2.443 -7.957 1.00 43.83 N ATOM 2211 CA ARG C 11 35.507 3.071 -7.449 1.00 46.50 C ATOM 2212 C ARG C 11 36.166 3.947 -8.512 1.00 44.87 C ATOM 2213 O ARG C 11 36.539 5.084 -8.232 1.00 42.89 O ATOM 2214 CB ARG C 11 36.481 1.977 -6.969 1.00 52.09 C ATOM 2215 CG ARG C 11 37.784 2.449 -6.327 1.00 59.02 C ATOM 2216 CD ARG C 11 37.566 3.155 -4.991 1.00 64.21 C ATOM 2217 NE ARG C 11 38.812 3.708 -4.445 1.00 68.77 N ATOM 2218 CZ ARG C 11 39.438 4.801 -4.898 1.00 71.24 C ATOM 2219 NH1 ARG C 11 38.962 5.506 -5.935 1.00 69.60 N ATOM 2220 NH2 ARG C 11 40.566 5.196 -4.307 1.00 71.57 N ATOM 2221 HE ARG C 11 39.243 3.210 -3.641 1.00 0.00 H ATOM 2222 HH12 ARG C 11 39.469 6.351 -6.266 1.00 0.00 H ATOM 2223 HH11 ARG C 11 38.085 5.207 -6.408 1.00 0.00 H ATOM 2224 HH22 ARG C 11 41.063 6.043 -4.649 1.00 0.00 H ATOM 2225 HH21 ARG C 11 40.949 4.657 -3.504 1.00 0.00 H ATOM 2226 H ARG C 11 34.176 1.418 -7.826 1.00 0.00 H ATOM 2227 N ALA C 12 36.266 3.399 -9.726 1.00 45.70 N ATOM 2228 CA ALA C 12 36.925 4.024 -10.887 1.00 44.64 C ATOM 2229 C ALA C 12 36.250 5.283 -11.427 1.00 43.66 C ATOM 2230 O ALA C 12 36.936 6.166 -11.931 1.00 42.93 O ATOM 2231 CB ALA C 12 37.057 3.005 -12.014 1.00 45.00 C ATOM 2232 H ALA C 12 35.846 2.457 -9.863 1.00 0.00 H ATOM 2233 N SER C 13 34.920 5.354 -11.345 1.00 42.33 N ATOM 2234 CA SER C 13 34.172 6.549 -11.777 1.00 41.92 C ATOM 2235 C SER C 13 34.326 7.765 -10.861 1.00 40.77 C ATOM 2236 O SER C 13 33.866 8.853 -11.222 1.00 42.21 O ATOM 2237 CB SER C 13 32.681 6.236 -11.916 1.00 42.18 C ATOM 2238 OG SER C 13 32.433 5.428 -13.047 1.00 44.69 O ATOM 2239 HG SER C 13 31.463 5.242 -13.112 1.00 0.00 H ATOM 2240 H SER C 13 34.395 4.541 -10.965 1.00 0.00 H ATOM 2241 N VAL C 14 34.936 7.582 -9.686 1.00 39.24 N ATOM 2242 CA VAL C 14 35.181 8.673 -8.732 1.00 39.00 C ATOM 2243 C VAL C 14 36.481 9.409 -9.115 1.00 38.52 C ATOM 2244 O VAL C 14 37.563 8.825 -9.004 1.00 36.33 O ATOM 2245 CB VAL C 14 35.302 8.128 -7.280 1.00 39.22 C ATOM 2246 CG1 VAL C 14 35.555 9.263 -6.284 1.00 39.96 C ATOM 2247 CG2 VAL C 14 34.059 7.332 -6.894 1.00 39.08 C ATOM 2248 H VAL C 14 35.252 6.623 -9.435 1.00 0.00 H ATOM 2249 N PRO C 15 36.396 10.686 -9.565 1.00 39.27 N ATOM 2250 CA PRO C 15 37.652 11.340 -9.995 1.00 39.36 C ATOM 2251 C PRO C 15 38.671 11.545 -8.865 1.00 40.97 C ATOM 2252 O PRO C 15 38.300 11.622 -7.687 1.00 41.25 O ATOM 2253 CB PRO C 15 37.180 12.689 -10.559 1.00 38.58 C ATOM 2254 CG PRO C 15 35.827 12.915 -9.973 1.00 37.26 C ATOM 2255 CD PRO C 15 35.226 11.558 -9.788 1.00 37.65 C ATOM 2256 N ASP C 16 39.947 11.616 -9.242 1.00 42.02 N ATOM 2257 CA ASP C 16 41.033 11.896 -8.296 1.00 41.57 C ATOM 2258 C ASP C 16 40.842 13.312 -7.791 1.00 38.16 C ATOM 2259 O ASP C 16 40.485 14.204 -8.560 1.00 36.87 O ATOM 2260 CB ASP C 16 42.418 11.806 -8.958 1.00 45.72 C ATOM 2261 CG ASP C 16 42.609 10.541 -9.778 1.00 48.80 C ATOM 2262 OD1 ASP C 16 42.521 9.432 -9.196 1.00 50.42 O ATOM 2263 OD2 ASP C 16 42.844 10.674 -11.004 1.00 47.76 O ATOM 2264 H ASP C 16 40.182 11.467 -10.244 1.00 0.00 H ATOM 2265 N GLY C 17 41.078 13.518 -6.504 1.00 36.20 N ATOM 2266 CA GLY C 17 40.867 14.825 -5.890 1.00 34.82 C ATOM 2267 C GLY C 17 39.428 15.224 -5.600 1.00 33.00 C ATOM 2268 O GLY C 17 39.166 16.397 -5.321 1.00 32.85 O ATOM 2269 H GLY C 17 41.421 12.731 -5.918 1.00 0.00 H ATOM 2270 N PHE C 18 38.498 14.266 -5.636 1.00 32.89 N ATOM 2271 CA PHE C 18 37.080 14.551 -5.341 1.00 31.75 C ATOM 2272 C PHE C 18 36.854 14.875 -3.865 1.00 30.02 C ATOM 2273 O PHE C 18 36.034 15.726 -3.538 1.00 28.68 O ATOM 2274 CB PHE C 18 36.177 13.389 -5.791 1.00 32.48 C ATOM 2275 CG PHE C 18 34.698 13.667 -5.654 1.00 31.82 C ATOM 2276 CD1 PHE C 18 34.126 14.818 -6.211 1.00 32.18 C ATOM 2277 CD2 PHE C 18 33.870 12.774 -4.984 1.00 31.66 C ATOM 2278 CE1 PHE C 18 32.761 15.073 -6.087 1.00 31.78 C ATOM 2279 CE2 PHE C 18 32.503 13.016 -4.871 1.00 31.44 C ATOM 2280 CZ PHE C 18 31.951 14.166 -5.420 1.00 31.35 C ATOM 2281 H PHE C 18 38.780 13.295 -5.878 1.00 0.00 H ATOM 2282 N LEU C 19 37.614 14.237 -2.981 1.00 30.53 N ATOM 2283 CA LEU C 19 37.531 14.532 -1.544 1.00 31.28 C ATOM 2284 C LEU C 19 38.007 15.944 -1.171 1.00 32.23 C ATOM 2285 O LEU C 19 37.525 16.529 -0.187 1.00 31.70 O ATOM 2286 CB LEU C 19 38.312 13.492 -0.743 1.00 31.15 C ATOM 2287 CG LEU C 19 37.850 12.039 -0.866 1.00 32.21 C ATOM 2288 CD1 LEU C 19 38.840 11.133 -0.145 1.00 33.66 C ATOM 2289 CD2 LEU C 19 36.440 11.844 -0.327 1.00 31.32 C ATOM 2290 H LEU C 19 38.282 13.513 -3.314 1.00 0.00 H ATOM 2291 N SER C 20 38.920 16.501 -1.965 1.00 33.16 N ATOM 2292 CA SER C 20 39.452 17.852 -1.714 1.00 34.14 C ATOM 2293 C SER C 20 38.468 18.887 -2.231 1.00 32.87 C ATOM 2294 O SER C 20 38.283 19.935 -1.615 1.00 34.13 O ATOM 2295 CB SER C 20 40.824 18.059 -2.378 1.00 34.72 C ATOM 2296 OG SER C 20 41.866 17.675 -1.504 1.00 34.92 O ATOM 2297 HG SER C 20 42.738 17.816 -1.950 1.00 0.00 H ATOM 2298 H SER C 20 39.268 15.966 -2.787 1.00 0.00 H ATOM 2299 N GLU C 21 37.855 18.593 -3.374 1.00 31.14 N ATOM 2300 CA GLU C 21 36.802 19.434 -3.933 1.00 30.18 C ATOM 2301 C GLU C 21 35.628 19.513 -2.963 1.00 27.75 C ATOM 2302 O GLU C 21 35.172 20.602 -2.632 1.00 28.97 O ATOM 2303 CB GLU C 21 36.365 18.912 -5.320 1.00 30.75 C ATOM 2304 CG GLU C 21 35.358 19.800 -6.035 1.00 30.63 C ATOM 2305 CD GLU C 21 35.133 19.409 -7.483 1.00 30.92 C ATOM 2306 OE1 GLU C 21 35.114 18.194 -7.814 1.00 30.75 O ATOM 2307 OE2 GLU C 21 34.951 20.339 -8.297 1.00 31.52 O ATOM 2308 H GLU C 21 38.136 17.733 -3.887 1.00 0.00 H ATOM 2309 N LEU C 22 35.166 18.365 -2.482 1.00 27.30 N ATOM 2310 CA LEU C 22 34.104 18.328 -1.465 1.00 26.83 C ATOM 2311 C LEU C 22 34.494 19.119 -0.215 1.00 27.80 C ATOM 2312 O LEU C 22 33.675 19.877 0.316 1.00 27.72 O ATOM 2313 CB LEU C 22 33.741 16.890 -1.087 1.00 26.00 C ATOM 2314 CG LEU C 22 32.989 16.053 -2.130 1.00 25.69 C ATOM 2315 CD1 LEU C 22 32.818 14.613 -1.645 1.00 24.93 C ATOM 2316 CD2 LEU C 22 31.648 16.686 -2.484 1.00 24.79 C ATOM 2317 H LEU C 22 35.564 17.471 -2.833 1.00 0.00 H ATOM 2318 N THR C 23 35.745 18.971 0.224 1.00 28.11 N ATOM 2319 CA THR C 23 36.252 19.759 1.342 1.00 29.36 C ATOM 2320 C THR C 23 36.299 21.254 1.002 1.00 30.00 C ATOM 2321 O THR C 23 35.853 22.063 1.796 1.00 30.38 O ATOM 2322 CB THR C 23 37.655 19.300 1.812 1.00 29.57 C ATOM 2323 OG1 THR C 23 37.667 17.885 2.070 1.00 28.75 O ATOM 2324 CG2 THR C 23 38.044 20.035 3.088 1.00 29.94 C ATOM 2325 HG1 THR C 23 37.431 17.398 1.241 1.00 0.00 H ATOM 2326 H THR C 23 36.370 18.281 -0.239 1.00 0.00 H ATOM 2327 N GLN C 24 36.848 21.606 -0.162 1.00 33.14 N ATOM 2328 CA GLN C 24 36.899 23.010 -0.641 1.00 35.68 C ATOM 2329 C GLN C 24 35.497 23.610 -0.603 1.00 35.73 C ATOM 2330 O GLN C 24 35.258 24.619 0.066 1.00 35.90 O ATOM 2331 CB GLN C 24 37.420 23.111 -2.096 1.00 37.19 C ATOM 2332 CG GLN C 24 38.937 23.076 -2.286 1.00 38.80 C ATOM 2333 CD GLN C 24 39.373 22.805 -3.738 1.00 40.27 C ATOM 2334 OE1 GLN C 24 38.556 22.508 -4.626 1.00 37.46 O ATOM 2335 NE2 GLN C 24 40.682 22.893 -3.978 1.00 42.07 N ATOM 2336 HE22 GLN C 24 41.336 23.144 -3.209 1.00 0.00 H ATOM 2337 HE21 GLN C 24 41.049 22.710 -4.934 1.00 0.00 H ATOM 2338 H GLN C 24 37.259 20.862 -0.761 1.00 0.00 H ATOM 2339 N GLN C 25 34.579 22.949 -1.312 1.00 34.87 N ATOM 2340 CA GLN C 25 33.232 23.468 -1.529 1.00 33.66 C ATOM 2341 C GLN C 25 32.450 23.533 -0.230 1.00 32.10 C ATOM 2342 O GLN C 25 31.764 24.518 0.022 1.00 32.10 O ATOM 2343 CB GLN C 25 32.482 22.635 -2.577 1.00 34.31 C ATOM 2344 CG GLN C 25 33.080 22.707 -3.982 1.00 35.07 C ATOM 2345 CD GLN C 25 32.828 24.042 -4.669 1.00 35.96 C ATOM 2346 OE1 GLN C 25 31.696 24.370 -5.009 1.00 37.40 O ATOM 2347 NE2 GLN C 25 33.886 24.810 -4.877 1.00 36.34 N ATOM 2348 HE22 GLN C 25 34.828 24.492 -4.572 1.00 0.00 H ATOM 2349 HE21 GLN C 25 33.775 25.732 -5.346 1.00 0.00 H ATOM 2350 H GLN C 25 34.833 22.029 -1.725 1.00 0.00 H ATOM 2351 N LEU C 26 32.570 22.511 0.614 1.00 31.20 N ATOM 2352 CA LEU C 26 31.903 22.559 1.918 1.00 30.43 C ATOM 2353 C LEU C 26 32.393 23.724 2.785 1.00 31.34 C ATOM 2354 O LEU C 26 31.594 24.349 3.466 1.00 31.11 O ATOM 2355 CB LEU C 26 32.031 21.231 2.663 1.00 29.53 C ATOM 2356 CG LEU C 26 31.159 20.082 2.146 1.00 28.08 C ATOM 2357 CD1 LEU C 26 31.672 18.764 2.689 1.00 28.22 C ATOM 2358 CD2 LEU C 26 29.697 20.262 2.524 1.00 27.72 C ATOM 2359 H LEU C 26 33.136 21.680 0.349 1.00 0.00 H ATOM 2360 N ALA C 27 33.692 24.026 2.738 1.00 32.76 N ATOM 2361 CA ALA C 27 34.268 25.139 3.521 1.00 34.96 C ATOM 2362 C ALA C 27 33.742 26.509 3.093 1.00 35.37 C ATOM 2363 O ALA C 27 33.380 27.333 3.933 1.00 31.76 O ATOM 2364 CB ALA C 27 35.786 25.123 3.428 1.00 34.85 C ATOM 2365 H ALA C 27 34.319 23.460 2.131 1.00 0.00 H ATOM 2366 N GLN C 28 33.720 26.734 1.782 1.00 38.82 N ATOM 2367 CA GLN C 28 33.261 28.002 1.205 1.00 43.45 C ATOM 2368 C GLN C 28 31.738 28.196 1.309 1.00 40.62 C ATOM 2369 O GLN C 28 31.282 29.322 1.429 1.00 39.30 O ATOM 2370 CB GLN C 28 33.724 28.109 -0.252 1.00 46.88 C ATOM 2371 CG GLN C 28 33.482 29.467 -0.907 1.00 51.55 C ATOM 2372 CD GLN C 28 32.182 29.546 -1.699 1.00 56.56 C ATOM 2373 OE1 GLN C 28 31.701 28.544 -2.250 1.00 59.72 O ATOM 2374 NE2 GLN C 28 31.605 30.746 -1.764 1.00 57.77 N ATOM 2375 HE22 GLN C 28 32.043 31.560 -1.287 1.00 0.00 H ATOM 2376 HE21 GLN C 28 30.717 30.868 -2.292 1.00 0.00 H ATOM 2377 H GLN C 28 34.041 25.981 1.141 1.00 0.00 H ATOM 2378 N ALA C 29 30.967 27.109 1.262 1.00 41.00 N ATOM 2379 CA ALA C 29 29.510 27.182 1.428 1.00 41.57 C ATOM 2380 C ALA C 29 29.125 27.465 2.877 1.00 43.66 C ATOM 2381 O ALA C 29 28.321 28.359 3.147 1.00 46.65 O ATOM 2382 CB ALA C 29 28.853 25.898 0.959 1.00 40.65 C ATOM 2383 H ALA C 29 31.411 26.182 1.103 1.00 0.00 H ATOM 2384 N THR C 30 29.704 26.701 3.799 1.00 43.51 N ATOM 2385 CA THR C 30 29.345 26.760 5.219 1.00 43.07 C ATOM 2386 C THR C 30 30.098 27.844 6.009 1.00 43.88 C ATOM 2387 O THR C 30 29.657 28.241 7.091 1.00 43.28 O ATOM 2388 CB THR C 30 29.612 25.397 5.901 1.00 43.85 C ATOM 2389 OG1 THR C 30 30.997 25.056 5.769 1.00 43.60 O ATOM 2390 CG2 THR C 30 28.766 24.277 5.287 1.00 43.71 C ATOM 2391 HG1 THR C 30 31.231 24.995 4.809 1.00 0.00 H ATOM 2392 H THR C 30 30.443 26.033 3.500 1.00 0.00 H ATOM 2393 N GLY C 31 31.239 28.297 5.485 1.00 45.16 N ATOM 2394 CA GLY C 31 32.161 29.165 6.235 1.00 44.94 C ATOM 2395 C GLY C 31 32.988 28.471 7.323 1.00 44.29 C ATOM 2396 O GLY C 31 33.757 29.127 8.019 1.00 47.29 O ATOM 2397 H GLY C 31 31.485 28.027 4.511 1.00 0.00 H ATOM 2398 N LYS C 32 32.876 27.149 7.456 1.00 40.82 N ATOM 2399 CA LYS C 32 33.485 26.442 8.580 1.00 38.70 C ATOM 2400 C LYS C 32 34.964 26.225 8.289 1.00 37.95 C ATOM 2401 O LYS C 32 35.356 26.186 7.116 1.00 40.55 O ATOM 2402 CB LYS C 32 32.803 25.102 8.828 1.00 37.22 C ATOM 2403 CG LYS C 32 31.301 25.183 8.998 1.00 37.13 C ATOM 2404 CD LYS C 32 30.860 25.408 10.428 1.00 37.56 C ATOM 2405 CE LYS C 32 29.367 25.168 10.538 1.00 37.76 C ATOM 2406 NZ LYS C 32 28.905 25.148 11.942 1.00 38.88 N ATOM 2407 HZ1 LYS C 32 29.393 24.387 12.456 1.00 0.00 H ATOM 2408 HZ2 LYS C 32 29.119 26.062 12.389 1.00 0.00 H ATOM 2409 HZ3 LYS C 32 27.879 24.981 11.966 1.00 0.00 H ATOM 2410 H LYS C 32 32.343 26.609 6.744 1.00 0.00 H ATOM 2411 N PRO C 33 35.797 26.096 9.346 1.00 36.90 N ATOM 2412 CA PRO C 33 37.223 25.906 9.078 1.00 34.82 C ATOM 2413 C PRO C 33 37.461 24.559 8.396 1.00 31.81 C ATOM 2414 O PRO C 33 36.984 23.543 8.896 1.00 32.01 O ATOM 2415 CB PRO C 33 37.859 25.935 10.475 1.00 36.62 C ATOM 2416 CG PRO C 33 36.750 25.576 11.417 1.00 37.26 C ATOM 2417 CD PRO C 33 35.514 26.158 10.795 1.00 36.55 C ATOM 2418 N PRO C 34 38.183 24.549 7.261 1.00 29.77 N ATOM 2419 CA PRO C 34 38.425 23.314 6.519 1.00 28.62 C ATOM 2420 C PRO C 34 39.111 22.210 7.327 1.00 26.98 C ATOM 2421 O PRO C 34 38.876 21.036 7.054 1.00 25.19 O ATOM 2422 CB PRO C 34 39.310 23.762 5.337 1.00 29.31 C ATOM 2423 CG PRO C 34 39.914 25.042 5.778 1.00 29.80 C ATOM 2424 CD PRO C 34 38.874 25.691 6.634 1.00 30.71 C ATOM 2425 N GLN C 35 39.937 22.594 8.303 1.00 26.53 N ATOM 2426 CA GLN C 35 40.691 21.654 9.162 1.00 27.41 C ATOM 2427 C GLN C 35 39.814 20.627 9.885 1.00 27.47 C ATOM 2428 O GLN C 35 40.265 19.516 10.145 1.00 27.40 O ATOM 2429 CB GLN C 35 41.547 22.414 10.204 1.00 26.90 C ATOM 2430 CG GLN C 35 42.849 23.014 9.672 1.00 26.30 C ATOM 2431 CD GLN C 35 42.746 24.461 9.188 1.00 26.98 C ATOM 2432 OE1 GLN C 35 41.655 25.011 8.980 1.00 27.42 O ATOM 2433 NE2 GLN C 35 43.905 25.083 8.987 1.00 27.49 N ATOM 2434 HE22 GLN C 35 44.800 24.587 9.173 1.00 0.00 H ATOM 2435 HE21 GLN C 35 43.916 26.065 8.644 1.00 0.00 H ATOM 2436 H GLN C 35 40.058 23.613 8.469 1.00 0.00 H ATOM 2437 N TYR C 36 38.582 21.011 10.209 1.00 27.31 N ATOM 2438 CA TYR C 36 37.615 20.125 10.858 1.00 28.62 C ATOM 2439 C TYR C 36 36.579 19.511 9.865 1.00 28.25 C ATOM 2440 O TYR C 36 35.655 18.825 10.286 1.00 26.90 O ATOM 2441 CB TYR C 36 36.910 20.901 11.990 1.00 28.74 C ATOM 2442 CG TYR C 36 37.756 21.249 13.227 1.00 29.78 C ATOM 2443 CD1 TYR C 36 39.141 21.063 13.277 1.00 31.09 C ATOM 2444 CD2 TYR C 36 37.149 21.797 14.350 1.00 31.33 C ATOM 2445 CE1 TYR C 36 39.877 21.391 14.408 1.00 31.29 C ATOM 2446 CE2 TYR C 36 37.876 22.134 15.483 1.00 31.26 C ATOM 2447 CZ TYR C 36 39.241 21.932 15.509 1.00 32.41 C ATOM 2448 OH TYR C 36 39.966 22.281 16.642 1.00 33.11 O ATOM 2449 HH TYR C 36 40.923 22.073 16.497 1.00 0.00 H ATOM 2450 H TYR C 36 38.293 21.986 9.991 1.00 0.00 H ATOM 2451 N ILE C 37 36.734 19.739 8.558 1.00 27.68 N ATOM 2452 CA ILE C 37 35.790 19.200 7.572 1.00 28.03 C ATOM 2453 C ILE C 37 36.182 17.746 7.310 1.00 27.75 C ATOM 2454 O ILE C 37 37.318 17.490 6.873 1.00 29.23 O ATOM 2455 CB ILE C 37 35.832 19.950 6.213 1.00 28.97 C ATOM 2456 CG1 ILE C 37 35.577 21.458 6.359 1.00 30.15 C ATOM 2457 CG2 ILE C 37 34.842 19.347 5.218 1.00 29.65 C ATOM 2458 CD1 ILE C 37 34.183 21.870 6.726 1.00 30.55 C ATOM 2459 H ILE C 37 37.540 20.310 8.233 1.00 0.00 H ATOM 2460 N ALA C 38 35.268 16.801 7.550 1.00 25.00 N ATOM 2461 CA ALA C 38 35.543 15.381 7.277 1.00 23.81 C ATOM 2462 C ALA C 38 34.677 14.882 6.126 1.00 23.05 C ATOM 2463 O ALA C 38 33.461 15.076 6.157 1.00 22.51 O ATOM 2464 CB ALA C 38 35.300 14.543 8.518 1.00 23.84 C ATOM 2465 H ALA C 38 34.343 17.075 7.938 1.00 0.00 H ATOM 2466 N VAL C 39 35.298 14.261 5.117 1.00 22.48 N ATOM 2467 CA VAL C 39 34.569 13.686 3.975 1.00 22.10 C ATOM 2468 C VAL C 39 34.857 12.192 3.814 1.00 22.20 C ATOM 2469 O VAL C 39 35.968 11.733 4.076 1.00 21.96 O ATOM 2470 CB VAL C 39 34.861 14.434 2.659 1.00 21.79 C ATOM 2471 CG1 VAL C 39 34.377 15.871 2.760 1.00 21.58 C ATOM 2472 CG2 VAL C 39 36.342 14.383 2.314 1.00 21.76 C ATOM 2473 H VAL C 39 36.335 14.182 5.140 1.00 0.00 H ATOM 2474 N HIS C 40 33.838 11.445 3.389 1.00 22.70 N ATOM 2475 CA HIS C 40 33.897 9.973 3.310 1.00 22.48 C ATOM 2476 C HIS C 40 33.058 9.570 2.103 1.00 23.25 C ATOM 2477 O HIS C 40 31.885 9.937 2.023 1.00 24.16 O ATOM 2478 CB HIS C 40 33.368 9.405 4.653 1.00 22.82 C ATOM 2479 CG HIS C 40 33.331 7.902 4.755 1.00 22.10 C ATOM 2480 ND1 HIS C 40 32.689 7.254 5.789 1.00 22.51 N ATOM 2481 CD2 HIS C 40 33.825 6.926 3.958 1.00 22.70 C ATOM 2482 CE1 HIS C 40 32.794 5.949 5.632 1.00 22.44 C ATOM 2483 NE2 HIS C 40 33.480 5.722 4.528 1.00 22.87 N ATOM 2484 H HIS C 40 32.960 11.922 3.100 1.00 0.00 H ATOM 2485 N VAL C 41 33.666 8.881 1.141 1.00 23.68 N ATOM 2486 CA VAL C 41 32.953 8.395 -0.051 1.00 24.00 C ATOM 2487 C VAL C 41 33.102 6.889 -0.130 1.00 23.98 C ATOM 2488 O VAL C 41 34.210 6.378 0.000 1.00 24.37 O ATOM 2489 CB VAL C 41 33.471 9.016 -1.362 1.00 24.21 C ATOM 2490 CG1 VAL C 41 32.663 8.505 -2.552 1.00 24.18 C ATOM 2491 CG2 VAL C 41 33.384 10.533 -1.317 1.00 25.08 C ATOM 2492 H VAL C 41 34.682 8.679 1.235 1.00 0.00 H ATOM 2493 N VAL C 42 31.984 6.196 -0.352 1.00 24.81 N ATOM 2494 CA VAL C 42 31.923 4.730 -0.338 1.00 25.64 C ATOM 2495 C VAL C 42 31.354 4.254 -1.693 1.00 26.24 C ATOM 2496 O VAL C 42 30.139 4.261 -1.888 1.00 25.81 O ATOM 2497 CB VAL C 42 31.058 4.226 0.852 1.00 25.65 C ATOM 2498 CG1 VAL C 42 31.227 2.730 1.064 1.00 25.59 C ATOM 2499 CG2 VAL C 42 31.422 4.965 2.127 1.00 25.68 C ATOM 2500 H VAL C 42 31.109 6.723 -0.545 1.00 0.00 H ATOM 2501 N PRO C 43 32.231 3.861 -2.645 1.00 28.09 N ATOM 2502 CA PRO C 43 31.734 3.395 -3.953 1.00 28.54 C ATOM 2503 C PRO C 43 31.320 1.925 -3.955 1.00 29.13 C ATOM 2504 O PRO C 43 31.400 1.262 -2.924 1.00 28.37 O ATOM 2505 CB PRO C 43 32.926 3.635 -4.900 1.00 28.38 C ATOM 2506 CG PRO C 43 34.131 3.818 -4.028 1.00 27.96 C ATOM 2507 CD PRO C 43 33.707 3.826 -2.585 1.00 27.92 C ATOM 2508 N ASP C 44 30.861 1.449 -5.118 1.00 31.27 N ATOM 2509 CA ASP C 44 30.548 0.036 -5.372 1.00 31.12 C ATOM 2510 C ASP C 44 29.531 -0.569 -4.410 1.00 30.29 C ATOM 2511 O ASP C 44 29.630 -1.740 -4.077 1.00 29.71 O ATOM 2512 CB ASP C 44 31.829 -0.814 -5.339 1.00 32.91 C ATOM 2513 CG ASP C 44 32.775 -0.491 -6.469 1.00 35.28 C ATOM 2514 OD1 ASP C 44 32.489 -0.883 -7.630 1.00 38.61 O ATOM 2515 OD2 ASP C 44 33.820 0.125 -6.191 1.00 34.27 O ATOM 2516 H ASP C 44 30.716 2.125 -5.895 1.00 0.00 H ATOM 2517 N GLN C 45 28.567 0.215 -3.947 1.00 30.91 N ATOM 2518 CA GLN C 45 27.595 -0.304 -2.979 1.00 31.81 C ATOM 2519 C GLN C 45 26.399 -0.980 -3.640 1.00 33.46 C ATOM 2520 O GLN C 45 25.986 -0.597 -4.735 1.00 32.94 O ATOM 2521 CB GLN C 45 27.102 0.800 -2.047 1.00 31.19 C ATOM 2522 CG GLN C 45 28.177 1.364 -1.140 1.00 29.74 C ATOM 2523 CD GLN C 45 28.730 0.309 -0.211 1.00 29.04 C ATOM 2524 OE1 GLN C 45 28.055 -0.140 0.714 1.00 28.19 O ATOM 2525 NE2 GLN C 45 29.950 -0.110 -0.466 1.00 28.47 N ATOM 2526 HE22 GLN C 45 30.485 0.298 -1.259 1.00 0.00 H ATOM 2527 HE21 GLN C 45 30.380 -0.849 0.125 1.00 0.00 H ATOM 2528 H GLN C 45 28.500 1.201 -4.271 1.00 0.00 H ATOM 2529 N LEU C 46 25.862 -1.980 -2.945 1.00 33.69 N ATOM 2530 CA LEU C 46 24.643 -2.661 -3.329 1.00 33.88 C ATOM 2531 C LEU C 46 23.467 -1.849 -2.831 1.00 33.71 C ATOM 2532 O LEU C 46 23.122 -1.938 -1.653 1.00 33.82 O ATOM 2533 CB LEU C 46 24.588 -4.034 -2.662 1.00 34.25 C ATOM 2534 CG LEU C 46 25.887 -4.835 -2.662 1.00 34.01 C ATOM 2535 CD1 LEU C 46 25.629 -6.236 -2.129 1.00 33.37 C ATOM 2536 CD2 LEU C 46 26.467 -4.873 -4.069 1.00 34.59 C ATOM 2537 H LEU C 46 26.345 -2.290 -2.078 1.00 0.00 H ATOM 2538 N MET C 47 22.864 -1.048 -3.706 1.00 33.26 N ATOM 2539 CA MET C 47 21.711 -0.245 -3.317 1.00 33.82 C ATOM 2540 C MET C 47 20.740 -0.027 -4.451 1.00 31.82 C ATOM 2541 O MET C 47 21.067 -0.228 -5.608 1.00 33.23 O ATOM 2542 CB MET C 47 22.149 1.092 -2.695 1.00 35.02 C ATOM 2543 CG MET C 47 23.158 1.914 -3.472 1.00 35.23 C ATOM 2544 SD MET C 47 23.488 3.462 -2.593 1.00 36.28 S ATOM 2545 CE MET C 47 24.561 2.899 -1.288 1.00 36.92 C ATOM 2546 H MET C 47 23.220 -0.994 -4.682 1.00 0.00 H ATOM 2547 N ALA C 48 19.529 0.356 -4.078 1.00 32.47 N ATOM 2548 CA ALA C 48 18.465 0.678 -5.014 1.00 32.58 C ATOM 2549 C ALA C 48 17.732 1.924 -4.535 1.00 31.99 C ATOM 2550 O ALA C 48 17.608 2.150 -3.342 1.00 33.02 O ATOM 2551 CB ALA C 48 17.505 -0.494 -5.126 1.00 32.59 C ATOM 2552 H ALA C 48 19.328 0.430 -3.060 1.00 0.00 H ATOM 2553 N PHE C 49 17.266 2.732 -5.483 1.00 32.73 N ATOM 2554 CA PHE C 49 16.467 3.927 -5.215 1.00 32.68 C ATOM 2555 C PHE C 49 15.224 3.821 -6.091 1.00 33.95 C ATOM 2556 O PHE C 49 15.344 3.665 -7.303 1.00 35.12 O ATOM 2557 CB PHE C 49 17.283 5.153 -5.587 1.00 32.02 C ATOM 2558 CG PHE C 49 16.715 6.456 -5.101 1.00 31.60 C ATOM 2559 CD1 PHE C 49 15.566 6.997 -5.671 1.00 31.90 C ATOM 2560 CD2 PHE C 49 17.369 7.179 -4.111 1.00 32.13 C ATOM 2561 CE1 PHE C 49 15.062 8.209 -5.244 1.00 31.41 C ATOM 2562 CE2 PHE C 49 16.875 8.399 -3.689 1.00 32.62 C ATOM 2563 CZ PHE C 49 15.719 8.911 -4.257 1.00 32.56 C ATOM 2564 H PHE C 49 17.483 2.500 -6.473 1.00 0.00 H ATOM 2565 N GLY C 50 14.040 3.901 -5.492 1.00 35.99 N ATOM 2566 CA GLY C 50 12.782 3.687 -6.225 1.00 36.83 C ATOM 2567 C GLY C 50 12.685 2.337 -6.927 1.00 38.07 C ATOM 2568 O GLY C 50 12.315 2.268 -8.094 1.00 40.01 O ATOM 2569 H GLY C 50 14.002 4.121 -4.476 1.00 0.00 H ATOM 2570 N GLY C 51 13.073 1.268 -6.240 1.00 38.81 N ATOM 2571 CA GLY C 51 13.107 -0.075 -6.835 1.00 39.27 C ATOM 2572 C GLY C 51 14.217 -0.358 -7.846 1.00 40.16 C ATOM 2573 O GLY C 51 14.520 -1.522 -8.094 1.00 41.21 O ATOM 2574 H GLY C 51 13.362 1.386 -5.248 1.00 0.00 H ATOM 2575 N SER C 52 14.853 0.688 -8.387 1.00 40.04 N ATOM 2576 CA SER C 52 15.784 0.599 -9.521 1.00 39.54 C ATOM 2577 C SER C 52 17.237 0.847 -9.081 1.00 39.95 C ATOM 2578 O SER C 52 17.483 1.632 -8.163 1.00 39.36 O ATOM 2579 CB SER C 52 15.360 1.625 -10.588 1.00 39.64 C ATOM 2580 OG SER C 52 16.428 2.462 -10.995 1.00 40.15 O ATOM 2581 HG SER C 52 16.771 2.961 -10.212 1.00 0.00 H ATOM 2582 H SER C 52 14.677 1.627 -7.977 1.00 0.00 H ATOM 2583 N SER C 53 18.190 0.207 -9.761 1.00 40.75 N ATOM 2584 CA SER C 53 19.616 0.269 -9.391 1.00 42.85 C ATOM 2585 C SER C 53 20.488 1.091 -10.365 1.00 44.42 C ATOM 2586 O SER C 53 21.681 0.814 -10.541 1.00 41.02 O ATOM 2587 CB SER C 53 20.173 -1.151 -9.182 1.00 43.73 C ATOM 2588 OG SER C 53 20.105 -1.929 -10.359 1.00 43.66 O ATOM 2589 HG SER C 53 20.634 -1.492 -11.073 1.00 0.00 H ATOM 2590 H SER C 53 17.915 -0.360 -10.588 1.00 0.00 H ATOM 2591 N GLU C 54 19.882 2.115 -10.969 1.00 46.00 N ATOM 2592 CA GLU C 54 20.620 3.189 -11.657 1.00 48.63 C ATOM 2593 C GLU C 54 21.478 3.954 -10.633 1.00 45.81 C ATOM 2594 O GLU C 54 21.116 3.988 -9.453 1.00 41.54 O ATOM 2595 CB GLU C 54 19.648 4.188 -12.335 1.00 50.61 C ATOM 2596 CG GLU C 54 19.388 3.960 -13.816 1.00 52.96 C ATOM 2597 CD GLU C 54 20.383 4.683 -14.725 1.00 55.97 C ATOM 2598 OE1 GLU C 54 21.455 4.108 -15.037 1.00 57.44 O ATOM 2599 OE2 GLU C 54 20.087 5.825 -15.149 1.00 54.35 O ATOM 2600 H GLU C 54 18.843 2.157 -10.953 1.00 0.00 H ATOM 2601 N PRO C 55 22.578 4.608 -11.080 1.00 45.15 N ATOM 2602 CA PRO C 55 23.436 5.352 -10.150 1.00 43.36 C ATOM 2603 C PRO C 55 22.642 6.240 -9.183 1.00 39.55 C ATOM 2604 O PRO C 55 21.784 7.016 -9.626 1.00 39.22 O ATOM 2605 CB PRO C 55 24.308 6.205 -11.086 1.00 44.00 C ATOM 2606 CG PRO C 55 24.401 5.392 -12.322 1.00 45.00 C ATOM 2607 CD PRO C 55 23.024 4.806 -12.472 1.00 45.97 C ATOM 2608 N CYS C 56 22.911 6.085 -7.885 1.00 35.39 N ATOM 2609 CA CYS C 56 22.251 6.859 -6.829 1.00 32.32 C ATOM 2610 C CYS C 56 23.186 7.097 -5.647 1.00 31.21 C ATOM 2611 O CYS C 56 24.274 6.529 -5.571 1.00 29.56 O ATOM 2612 CB CYS C 56 21.005 6.126 -6.349 1.00 31.72 C ATOM 2613 SG CYS C 56 21.338 4.495 -5.647 1.00 30.27 S ATOM 2614 H CYS C 56 23.624 5.380 -7.609 1.00 0.00 H ATOM 2615 N ALA C 57 22.739 7.936 -4.719 1.00 31.40 N ATOM 2616 CA ALA C 57 23.524 8.283 -3.543 1.00 30.75 C ATOM 2617 C ALA C 57 22.642 8.520 -2.334 1.00 28.71 C ATOM 2618 O ALA C 57 21.598 9.171 -2.430 1.00 26.87 O ATOM 2619 CB ALA C 57 24.369 9.524 -3.817 1.00 32.00 C ATOM 2620 H ALA C 57 21.796 8.359 -4.837 1.00 0.00 H ATOM 2621 N LEU C 58 23.093 7.983 -1.204 1.00 27.24 N ATOM 2622 CA LEU C 58 22.512 8.231 0.106 1.00 25.49 C ATOM 2623 C LEU C 58 23.601 8.874 0.930 1.00 24.53 C ATOM 2624 O LEU C 58 24.628 8.274 1.164 1.00 23.27 O ATOM 2625 CB LEU C 58 22.066 6.911 0.730 1.00 25.34 C ATOM 2626 CG LEU C 58 21.052 6.110 -0.095 1.00 24.88 C ATOM 2627 CD1 LEU C 58 20.665 4.832 0.633 1.00 25.21 C ATOM 2628 CD2 LEU C 58 19.823 6.953 -0.393 1.00 25.20 C ATOM 2629 H LEU C 58 23.913 7.346 -1.261 1.00 0.00 H ATOM 2630 N CYS C 59 23.375 10.115 1.344 1.00 25.67 N ATOM 2631 CA CYS C 59 24.403 10.933 1.966 1.00 24.62 C ATOM 2632 C CYS C 59 23.960 11.456 3.308 1.00 25.07 C ATOM 2633 O CYS C 59 22.797 11.357 3.671 1.00 25.04 O ATOM 2634 CB CYS C 59 24.745 12.114 1.077 1.00 24.04 C ATOM 2635 SG CYS C 59 25.055 11.640 -0.619 1.00 26.20 S ATOM 2636 H CYS C 59 22.425 10.518 1.218 1.00 0.00 H ATOM 2637 N SER C 60 24.909 12.011 4.051 1.00 25.23 N ATOM 2638 CA SER C 60 24.623 12.641 5.331 1.00 25.30 C ATOM 2639 C SER C 60 25.588 13.800 5.517 1.00 25.44 C ATOM 2640 O SER C 60 26.725 13.740 5.045 1.00 26.71 O ATOM 2641 CB SER C 60 24.748 11.641 6.484 1.00 24.95 C ATOM 2642 OG SER C 60 26.085 11.204 6.657 1.00 24.59 O ATOM 2643 HG SER C 60 26.663 11.983 6.856 1.00 0.00 H ATOM 2644 H SER C 60 25.890 11.995 3.707 1.00 0.00 H ATOM 2645 N LEU C 61 25.117 14.853 6.179 1.00 24.93 N ATOM 2646 CA LEU C 61 25.934 16.024 6.505 1.00 23.72 C ATOM 2647 C LEU C 61 25.643 16.395 7.951 1.00 22.84 C ATOM 2648 O LEU C 61 24.556 16.886 8.234 1.00 21.51 O ATOM 2649 CB LEU C 61 25.617 17.207 5.579 1.00 23.20 C ATOM 2650 CG LEU C 61 26.509 18.446 5.797 1.00 21.99 C ATOM 2651 CD1 LEU C 61 27.918 18.152 5.316 1.00 22.17 C ATOM 2652 CD2 LEU C 61 25.977 19.670 5.085 1.00 22.15 C ATOM 2653 H LEU C 61 24.121 14.844 6.479 1.00 0.00 H ATOM 2654 N HIS C 62 26.600 16.135 8.854 1.00 22.75 N ATOM 2655 CA HIS C 62 26.444 16.452 10.287 1.00 22.92 C ATOM 2656 C HIS C 62 27.179 17.745 10.618 1.00 23.26 C ATOM 2657 O HIS C 62 28.345 17.881 10.274 1.00 22.94 O ATOM 2658 CB HIS C 62 26.981 15.329 11.188 1.00 22.61 C ATOM 2659 CG HIS C 62 26.282 14.014 11.034 1.00 21.99 C ATOM 2660 ND1 HIS C 62 26.479 13.186 9.948 1.00 22.14 N ATOM 2661 CD2 HIS C 62 25.427 13.361 11.854 1.00 21.64 C ATOM 2662 CE1 HIS C 62 25.756 12.092 10.095 1.00 21.56 C ATOM 2663 NE2 HIS C 62 25.103 12.177 11.240 1.00 21.98 N ATOM 2664 H HIS C 62 27.485 15.694 8.532 1.00 0.00 H ATOM 2665 N SER C 63 26.493 18.675 11.289 1.00 24.88 N ATOM 2666 CA SER C 63 27.104 19.909 11.812 1.00 26.41 C ATOM 2667 C SER C 63 26.851 20.025 13.313 1.00 27.45 C ATOM 2668 O SER C 63 25.901 19.450 13.834 1.00 27.57 O ATOM 2669 CB SER C 63 26.518 21.149 11.126 1.00 25.52 C ATOM 2670 OG SER C 63 26.595 21.039 9.731 1.00 25.23 O ATOM 2671 HG SER C 63 26.086 20.243 9.435 1.00 0.00 H ATOM 2672 H SER C 63 25.477 18.520 11.450 1.00 0.00 H ATOM 2673 N ILE C 64 27.687 20.798 13.992 1.00 28.66 N ATOM 2674 CA ILE C 64 27.447 21.141 15.381 1.00 31.65 C ATOM 2675 C ILE C 64 26.650 22.457 15.410 1.00 35.59 C ATOM 2676 O ILE C 64 27.150 23.488 14.956 1.00 34.83 O ATOM 2677 CB ILE C 64 28.763 21.228 16.183 1.00 30.40 C ATOM 2678 CG1 ILE C 64 29.353 19.814 16.313 1.00 30.55 C ATOM 2679 CG2 ILE C 64 28.508 21.840 17.561 1.00 30.11 C ATOM 2680 CD1 ILE C 64 30.785 19.735 16.813 1.00 31.05 C ATOM 2681 H ILE C 64 28.535 21.167 13.517 1.00 0.00 H ATOM 2682 N GLY C 65 25.417 22.400 15.929 1.00 40.36 N ATOM 2683 CA GLY C 65 24.496 23.550 15.946 1.00 44.58 C ATOM 2684 C GLY C 65 23.845 23.882 14.604 1.00 49.55 C ATOM 2685 O GLY C 65 24.000 23.143 13.623 1.00 48.24 O ATOM 2686 H GLY C 65 25.094 21.501 16.340 1.00 0.00 H ATOM 2687 N LYS C 66 23.068 24.972 14.606 1.00 55.80 N ATOM 2688 CA LYS C 66 22.665 25.752 13.404 1.00 57.51 C ATOM 2689 C LYS C 66 22.360 24.992 12.107 1.00 57.04 C ATOM 2690 O LYS C 66 23.229 24.864 11.233 1.00 55.93 O ATOM 2691 CB LYS C 66 23.726 26.825 13.107 1.00 59.80 C ATOM 2692 H LYS C 66 22.715 25.302 15.527 1.00 0.00 H ATOM 2693 N ILE C 67 21.123 24.508 12.004 1.00 57.83 N ATOM 2694 CA ILE C 67 20.572 23.910 10.775 1.00 61.43 C ATOM 2695 C ILE C 67 19.227 24.583 10.462 1.00 60.51 C ATOM 2696 O ILE C 67 18.428 24.846 11.362 1.00 60.89 O ATOM 2697 CB ILE C 67 20.426 22.359 10.909 1.00 64.31 C ATOM 2698 CG1 ILE C 67 21.777 21.660 10.672 1.00 64.39 C ATOM 2699 CG2 ILE C 67 19.377 21.770 9.956 1.00 63.75 C ATOM 2700 CD1 ILE C 67 22.235 21.613 9.225 1.00 64.23 C ATOM 2701 H ILE C 67 20.509 24.555 12.842 1.00 0.00 H ATOM 2702 N GLY C 68 18.994 24.863 9.182 1.00 60.55 N ATOM 2703 CA GLY C 68 17.751 25.489 8.720 1.00 60.04 C ATOM 2704 C GLY C 68 17.519 25.188 7.255 1.00 59.98 C ATOM 2705 O GLY C 68 18.439 24.762 6.554 1.00 61.90 O ATOM 2706 H GLY C 68 19.724 24.628 8.480 1.00 0.00 H ATOM 2707 N GLY C 69 16.295 25.421 6.792 1.00 58.21 N ATOM 2708 CA GLY C 69 15.879 25.052 5.433 1.00 56.07 C ATOM 2709 C GLY C 69 16.547 25.817 4.295 1.00 54.13 C ATOM 2710 O GLY C 69 16.790 25.249 3.220 1.00 52.08 O ATOM 2711 H GLY C 69 15.604 25.883 7.417 1.00 0.00 H ATOM 2712 N ALA C 70 16.827 27.103 4.514 1.00 52.16 N ATOM 2713 CA ALA C 70 17.519 27.926 3.511 1.00 51.19 C ATOM 2714 C ALA C 70 18.910 27.363 3.222 1.00 46.14 C ATOM 2715 O ALA C 70 19.273 27.153 2.069 1.00 44.84 O ATOM 2716 CB ALA C 70 17.610 29.379 3.976 1.00 51.28 C ATOM 2717 H ALA C 70 16.548 27.535 5.418 1.00 0.00 H ATOM 2718 N GLN C 71 19.655 27.081 4.286 1.00 45.05 N ATOM 2719 CA GLN C 71 21.017 26.535 4.173 1.00 44.40 C ATOM 2720 C GLN C 71 20.996 25.137 3.544 1.00 39.49 C ATOM 2721 O GLN C 71 21.765 24.834 2.633 1.00 34.88 O ATOM 2722 CB GLN C 71 21.694 26.490 5.551 1.00 47.85 C ATOM 2723 CG GLN C 71 21.810 27.850 6.248 1.00 50.74 C ATOM 2724 CD GLN C 71 22.604 27.799 7.553 1.00 53.73 C ATOM 2725 OE1 GLN C 71 23.498 28.619 7.775 1.00 55.27 O ATOM 2726 NE2 GLN C 71 22.283 26.836 8.419 1.00 53.13 N ATOM 2727 HE22 GLN C 71 21.522 26.165 8.192 1.00 0.00 H ATOM 2728 HE21 GLN C 71 22.794 26.757 9.321 1.00 0.00 H ATOM 2729 H GLN C 71 19.261 27.252 5.233 1.00 0.00 H ATOM 2730 N ASN C 72 20.069 24.311 4.016 1.00 38.98 N ATOM 2731 CA ASN C 72 19.948 22.937 3.558 1.00 36.40 C ATOM 2732 C ASN C 72 19.565 22.851 2.096 1.00 36.44 C ATOM 2733 O ASN C 72 20.061 21.960 1.400 1.00 37.85 O ATOM 2734 CB ASN C 72 18.966 22.154 4.433 1.00 36.83 C ATOM 2735 CG ASN C 72 19.460 21.982 5.866 1.00 37.03 C ATOM 2736 OD1 ASN C 72 20.589 22.337 6.209 1.00 37.01 O ATOM 2737 ND2 ASN C 72 18.605 21.445 6.710 1.00 38.26 N ATOM 2738 HD22 ASN C 72 17.661 21.158 6.382 1.00 0.00 H ATOM 2739 HD21 ASN C 72 18.874 21.307 7.705 1.00 0.00 H ATOM 2740 H ASN C 72 19.407 24.660 4.738 1.00 0.00 H ATOM 2741 N ARG C 73 18.720 23.772 1.618 1.00 36.91 N ATOM 2742 CA ARG C 73 18.403 23.854 0.171 1.00 37.51 C ATOM 2743 C ARG C 73 19.628 24.247 -0.659 1.00 35.74 C ATOM 2744 O ARG C 73 19.825 23.708 -1.753 1.00 34.47 O ATOM 2745 CB ARG C 73 17.218 24.802 -0.126 1.00 39.82 C ATOM 2746 CG ARG C 73 15.856 24.144 0.075 1.00 42.28 C ATOM 2747 CD ARG C 73 14.683 25.015 -0.363 1.00 42.47 C ATOM 2748 NE ARG C 73 14.676 26.322 0.290 1.00 44.64 N ATOM 2749 CZ ARG C 73 14.342 26.554 1.562 1.00 46.40 C ATOM 2750 NH1 ARG C 73 13.979 25.566 2.377 1.00 46.45 N ATOM 2751 NH2 ARG C 73 14.381 27.800 2.033 1.00 49.39 N ATOM 2752 HE ARG C 73 14.955 27.142 -0.285 1.00 0.00 H ATOM 2753 HH12 ARG C 73 13.723 25.773 3.364 1.00 0.00 H ATOM 2754 HH11 ARG C 73 13.951 24.587 2.027 1.00 0.00 H ATOM 2755 HH22 ARG C 73 14.123 27.990 3.022 1.00 0.00 H ATOM 2756 HH21 ARG C 73 14.670 28.582 1.411 1.00 0.00 H ATOM 2757 H ARG C 73 18.276 24.445 2.275 1.00 0.00 H ATOM 2758 N SER C 74 20.436 25.174 -0.132 1.00 35.57 N ATOM 2759 CA SER C 74 21.698 25.588 -0.765 1.00 35.42 C ATOM 2760 C SER C 74 22.688 24.427 -0.809 1.00 35.45 C ATOM 2761 O SER C 74 23.309 24.159 -1.843 1.00 35.23 O ATOM 2762 CB SER C 74 22.339 26.759 -0.006 1.00 35.09 C ATOM 2763 OG SER C 74 21.371 27.675 0.466 1.00 34.82 O ATOM 2764 HG SER C 74 20.750 27.210 1.081 1.00 0.00 H ATOM 2765 H SER C 74 20.160 25.622 0.765 1.00 0.00 H ATOM 2766 N TYR C 75 22.837 23.743 0.329 1.00 34.52 N ATOM 2767 CA TYR C 75 23.757 22.596 0.407 1.00 34.91 C ATOM 2768 C TYR C 75 23.298 21.482 -0.503 1.00 35.07 C ATOM 2769 O TYR C 75 24.120 20.886 -1.196 1.00 34.55 O ATOM 2770 CB TYR C 75 23.927 22.060 1.837 1.00 34.92 C ATOM 2771 CG TYR C 75 24.402 23.084 2.844 1.00 35.29 C ATOM 2772 CD1 TYR C 75 25.046 24.270 2.436 1.00 35.88 C ATOM 2773 CD2 TYR C 75 24.222 22.872 4.215 1.00 35.17 C ATOM 2774 CE1 TYR C 75 25.468 25.212 3.361 1.00 36.32 C ATOM 2775 CE2 TYR C 75 24.652 23.815 5.145 1.00 36.10 C ATOM 2776 CZ TYR C 75 25.270 24.981 4.706 1.00 35.69 C ATOM 2777 OH TYR C 75 25.707 25.930 5.585 1.00 36.43 O ATOM 2778 HH TYR C 75 26.116 26.679 5.084 1.00 0.00 H ATOM 2779 H TYR C 75 22.296 24.025 1.171 1.00 0.00 H ATOM 2780 N SER C 76 21.990 21.227 -0.520 1.00 34.57 N ATOM 2781 CA SER C 76 21.420 20.222 -1.408 1.00 34.74 C ATOM 2782 C SER C 76 21.754 20.490 -2.873 1.00 34.84 C ATOM 2783 O SER C 76 22.182 19.579 -3.569 1.00 35.81 O ATOM 2784 CB SER C 76 19.904 20.116 -1.216 1.00 35.34 C ATOM 2785 OG SER C 76 19.592 19.704 0.109 1.00 35.73 O ATOM 2786 HG SER C 76 19.951 20.366 0.752 1.00 0.00 H ATOM 2787 H SER C 76 21.361 21.758 0.116 1.00 0.00 H ATOM 2788 N LYS C 77 21.587 21.731 -3.331 1.00 34.66 N ATOM 2789 CA LYS C 77 21.872 22.080 -4.733 1.00 37.26 C ATOM 2790 C LYS C 77 23.367 21.974 -5.049 1.00 35.02 C ATOM 2791 O LYS C 77 23.759 21.418 -6.085 1.00 34.63 O ATOM 2792 CB LYS C 77 21.376 23.500 -5.061 1.00 41.31 C ATOM 2793 CG LYS C 77 21.471 23.881 -6.538 1.00 43.71 C ATOM 2794 CD LYS C 77 20.979 25.300 -6.777 1.00 46.57 C ATOM 2795 CE LYS C 77 20.557 25.511 -8.222 1.00 47.90 C ATOM 2796 NZ LYS C 77 19.920 26.846 -8.368 1.00 49.12 N ATOM 2797 HZ1 LYS C 77 19.083 26.899 -7.753 1.00 0.00 H ATOM 2798 HZ2 LYS C 77 20.599 27.585 -8.095 1.00 0.00 H ATOM 2799 HZ3 LYS C 77 19.633 26.986 -9.358 1.00 0.00 H ATOM 2800 H LYS C 77 21.247 22.470 -2.683 1.00 0.00 H ATOM 2801 N LEU C 78 24.179 22.520 -4.147 1.00 33.39 N ATOM 2802 CA LEU C 78 25.643 22.423 -4.223 1.00 33.73 C ATOM 2803 C LEU C 78 26.077 20.968 -4.323 1.00 32.75 C ATOM 2804 O LEU C 78 26.759 20.581 -5.277 1.00 35.09 O ATOM 2805 CB LEU C 78 26.288 23.087 -2.992 1.00 33.39 C ATOM 2806 CG LEU C 78 27.817 23.167 -2.942 1.00 34.24 C ATOM 2807 CD1 LEU C 78 28.339 24.178 -3.961 1.00 33.95 C ATOM 2808 CD2 LEU C 78 28.287 23.524 -1.539 1.00 33.53 C ATOM 2809 H LEU C 78 23.757 23.040 -3.351 1.00 0.00 H ATOM 2810 N LEU C 79 25.636 20.164 -3.356 1.00 30.91 N ATOM 2811 CA LEU C 79 26.077 18.769 -3.237 1.00 30.23 C ATOM 2812 C LEU C 79 25.498 17.902 -4.344 1.00 29.27 C ATOM 2813 O LEU C 79 26.211 17.068 -4.904 1.00 28.48 O ATOM 2814 CB LEU C 79 25.757 18.203 -1.838 1.00 30.10 C ATOM 2815 CG LEU C 79 26.452 18.934 -0.672 1.00 29.72 C ATOM 2816 CD1 LEU C 79 25.803 18.629 0.665 1.00 29.89 C ATOM 2817 CD2 LEU C 79 27.934 18.607 -0.620 1.00 30.13 C ATOM 2818 H LEU C 79 24.957 20.537 -2.663 1.00 0.00 H ATOM 2819 N CYS C 80 24.222 18.110 -4.679 1.00 28.55 N ATOM 2820 CA CYS C 80 23.616 17.423 -5.821 1.00 28.89 C ATOM 2821 C CYS C 80 24.333 17.796 -7.120 1.00 29.66 C ATOM 2822 O CYS C 80 24.569 16.936 -7.977 1.00 28.88 O ATOM 2823 CB CYS C 80 22.117 17.729 -5.934 1.00 29.69 C ATOM 2824 SG CYS C 80 21.057 17.020 -4.639 1.00 27.61 S ATOM 2825 H CYS C 80 23.648 18.772 -4.118 1.00 0.00 H ATOM 2826 N GLY C 81 24.702 19.073 -7.243 1.00 31.11 N ATOM 2827 CA GLY C 81 25.457 19.563 -8.405 1.00 32.02 C ATOM 2828 C GLY C 81 26.800 18.881 -8.598 1.00 31.70 C ATOM 2829 O GLY C 81 27.199 18.591 -9.733 1.00 31.53 O ATOM 2830 H GLY C 81 24.446 19.744 -6.491 1.00 0.00 H ATOM 2831 N LEU C 82 27.492 18.627 -7.485 1.00 31.52 N ATOM 2832 CA LEU C 82 28.799 17.948 -7.521 1.00 31.20 C ATOM 2833 C LEU C 82 28.672 16.469 -7.884 1.00 30.88 C ATOM 2834 O LEU C 82 29.521 15.920 -8.607 1.00 31.22 O ATOM 2835 CB LEU C 82 29.539 18.121 -6.189 1.00 30.94 C ATOM 2836 CG LEU C 82 30.063 19.543 -5.929 1.00 31.32 C ATOM 2837 CD1 LEU C 82 30.072 19.906 -4.454 1.00 31.18 C ATOM 2838 CD2 LEU C 82 31.461 19.701 -6.507 1.00 32.77 C ATOM 2839 H LEU C 82 27.098 18.916 -6.567 1.00 0.00 H ATOM 2840 N LEU C 83 27.614 15.828 -7.395 1.00 30.60 N ATOM 2841 CA LEU C 83 27.394 14.410 -7.665 1.00 31.42 C ATOM 2842 C LEU C 83 26.955 14.165 -9.119 1.00 33.93 C ATOM 2843 O LEU C 83 27.369 13.171 -9.737 1.00 34.70 O ATOM 2844 CB LEU C 83 26.416 13.811 -6.645 1.00 31.46 C ATOM 2845 CG LEU C 83 26.926 13.862 -5.188 1.00 30.72 C ATOM 2846 CD1 LEU C 83 25.796 13.714 -4.187 1.00 31.14 C ATOM 2847 CD2 LEU C 83 28.005 12.824 -4.917 1.00 31.07 C ATOM 2848 H LEU C 83 26.930 16.347 -6.809 1.00 0.00 H ATOM 2849 N ALA C 84 26.156 15.075 -9.678 1.00 35.86 N ATOM 2850 CA ALA C 84 25.811 15.024 -11.109 1.00 38.15 C ATOM 2851 C ALA C 84 27.042 15.171 -11.995 1.00 40.20 C ATOM 2852 O ALA C 84 27.331 14.309 -12.835 1.00 42.24 O ATOM 2853 CB ALA C 84 24.784 16.105 -11.451 1.00 38.14 C ATOM 2854 H ALA C 84 25.767 15.839 -9.089 1.00 0.00 H ATOM 2855 N GLU C 85 27.772 16.257 -11.765 1.00 42.50 N ATOM 2856 CA GLU C 85 28.922 16.649 -12.583 1.00 43.98 C ATOM 2857 C GLU C 85 30.100 15.656 -12.513 1.00 43.86 C ATOM 2858 O GLU C 85 30.706 15.367 -13.546 1.00 45.35 O ATOM 2859 CB GLU C 85 29.375 18.047 -12.147 1.00 46.30 C ATOM 2860 CG GLU C 85 30.314 18.778 -13.095 1.00 49.65 C ATOM 2861 CD GLU C 85 30.877 20.057 -12.484 1.00 52.25 C ATOM 2862 OE1 GLU C 85 30.603 20.348 -11.297 1.00 52.76 O ATOM 2863 OE2 GLU C 85 31.599 20.785 -13.193 1.00 56.74 O ATOM 2864 H GLU C 85 27.513 16.862 -10.960 1.00 0.00 H ATOM 2865 N ARG C 86 30.410 15.141 -11.313 1.00 43.01 N ATOM 2866 CA ARG C 86 31.590 14.261 -11.077 1.00 41.28 C ATOM 2867 C ARG C 86 31.302 12.759 -11.012 1.00 41.30 C ATOM 2868 O ARG C 86 32.129 11.955 -11.454 1.00 42.30 O ATOM 2869 CB ARG C 86 32.296 14.628 -9.767 1.00 39.84 C ATOM 2870 CG ARG C 86 32.630 16.088 -9.586 1.00 40.25 C ATOM 2871 CD ARG C 86 33.584 16.620 -10.632 1.00 40.15 C ATOM 2872 NE ARG C 86 33.820 18.048 -10.409 1.00 41.90 N ATOM 2873 CZ ARG C 86 34.412 18.877 -11.271 1.00 42.29 C ATOM 2874 NH1 ARG C 86 34.847 18.441 -12.452 1.00 41.28 N ATOM 2875 NH2 ARG C 86 34.564 20.165 -10.953 1.00 41.10 N ATOM 2876 HE ARG C 86 33.500 18.449 -9.504 1.00 0.00 H ATOM 2877 HH12 ARG C 86 35.306 19.100 -13.113 1.00 0.00 H ATOM 2878 HH11 ARG C 86 34.727 17.442 -12.714 1.00 0.00 H ATOM 2879 HH22 ARG C 86 35.025 20.815 -11.622 1.00 0.00 H ATOM 2880 HH21 ARG C 86 34.222 20.518 -10.037 1.00 0.00 H ATOM 2881 H ARG C 86 29.795 15.368 -10.506 1.00 0.00 H ATOM 2882 N LEU C 87 30.176 12.375 -10.409 1.00 41.49 N ATOM 2883 CA LEU C 87 29.828 10.954 -10.260 1.00 41.67 C ATOM 2884 C LEU C 87 28.767 10.460 -11.247 1.00 43.99 C ATOM 2885 O LEU C 87 28.421 9.275 -11.226 1.00 44.66 O ATOM 2886 CB LEU C 87 29.417 10.651 -8.811 1.00 40.51 C ATOM 2887 CG LEU C 87 30.497 10.881 -7.744 1.00 39.45 C ATOM 2888 CD1 LEU C 87 30.049 10.322 -6.405 1.00 39.19 C ATOM 2889 CD2 LEU C 87 31.830 10.260 -8.138 1.00 39.52 C ATOM 2890 H LEU C 87 29.529 13.098 -10.035 1.00 0.00 H ATOM 2891 N ARG C 88 28.287 11.341 -12.131 1.00 46.43 N ATOM 2892 CA ARG C 88 27.258 10.988 -13.122 1.00 48.54 C ATOM 2893 C ARG C 88 25.953 10.534 -12.445 1.00 44.74 C ATOM 2894 O ARG C 88 25.239 9.680 -12.980 1.00 42.77 O ATOM 2895 CB ARG C 88 27.758 9.885 -14.092 1.00 53.29 C ATOM 2896 CG ARG C 88 29.190 10.029 -14.614 1.00 55.50 C ATOM 2897 CD ARG C 88 29.374 11.314 -15.399 1.00 56.73 C ATOM 2898 NE ARG C 88 28.517 11.336 -16.583 1.00 58.22 N ATOM 2899 CZ ARG C 88 28.253 12.410 -17.325 1.00 59.39 C ATOM 2900 NH1 ARG C 88 28.771 13.603 -17.026 1.00 60.41 N ATOM 2901 NH2 ARG C 88 27.454 12.287 -18.381 1.00 61.05 N ATOM 2902 HE ARG C 88 28.077 10.438 -16.870 1.00 0.00 H ATOM 2903 HH12 ARG C 88 28.552 14.429 -17.619 1.00 0.00 H ATOM 2904 HH11 ARG C 88 29.394 13.707 -16.200 1.00 0.00 H ATOM 2905 HH22 ARG C 88 27.239 13.117 -18.970 1.00 0.00 H ATOM 2906 HH21 ARG C 88 27.044 11.361 -18.618 1.00 0.00 H ATOM 2907 H ARG C 88 28.655 12.314 -12.118 1.00 0.00 H ATOM 2908 N ILE C 89 25.660 11.094 -11.268 1.00 41.36 N ATOM 2909 CA ILE C 89 24.474 10.713 -10.507 1.00 40.06 C ATOM 2910 C ILE C 89 23.410 11.786 -10.682 1.00 38.68 C ATOM 2911 O ILE C 89 23.622 12.945 -10.320 1.00 36.75 O ATOM 2912 CB ILE C 89 24.747 10.516 -8.998 1.00 39.72 C ATOM 2913 CG1 ILE C 89 25.949 9.593 -8.773 1.00 39.62 C ATOM 2914 CG2 ILE C 89 23.516 9.909 -8.320 1.00 39.67 C ATOM 2915 CD1 ILE C 89 26.359 9.447 -7.319 1.00 39.92 C ATOM 2916 H ILE C 89 26.295 11.822 -10.883 1.00 0.00 H ATOM 2917 N SER C 90 22.265 11.374 -11.227 1.00 36.31 N ATOM 2918 CA SER C 90 21.112 12.244 -11.392 1.00 34.03 C ATOM 2919 C SER C 90 20.609 12.748 -10.027 1.00 31.81 C ATOM 2920 O SER C 90 20.453 11.938 -9.122 1.00 30.65 O ATOM 2921 CB SER C 90 20.008 11.469 -12.098 1.00 34.23 C ATOM 2922 OG SER C 90 18.857 12.263 -12.199 1.00 36.48 O ATOM 2923 HG SER C 90 18.551 12.515 -11.292 1.00 0.00 H ATOM 2924 H SER C 90 22.194 10.387 -11.548 1.00 0.00 H ATOM 2925 N PRO C 91 20.359 14.070 -9.875 1.00 30.80 N ATOM 2926 CA PRO C 91 19.920 14.629 -8.585 1.00 31.26 C ATOM 2927 C PRO C 91 18.622 14.096 -8.008 1.00 33.74 C ATOM 2928 O PRO C 91 18.454 14.145 -6.784 1.00 34.88 O ATOM 2929 CB PRO C 91 19.743 16.123 -8.873 1.00 30.94 C ATOM 2930 CG PRO C 91 20.591 16.400 -10.052 1.00 31.03 C ATOM 2931 CD PRO C 91 20.579 15.140 -10.869 1.00 31.62 C ATOM 2932 N ASP C 92 17.711 13.612 -8.863 1.00 35.15 N ATOM 2933 CA ASP C 92 16.469 12.966 -8.393 1.00 35.70 C ATOM 2934 C ASP C 92 16.693 11.561 -7.809 1.00 35.57 C ATOM 2935 O ASP C 92 15.731 10.926 -7.393 1.00 36.57 O ATOM 2936 CB ASP C 92 15.340 12.978 -9.466 1.00 35.43 C ATOM 2937 CG ASP C 92 15.657 12.149 -10.706 1.00 36.44 C ATOM 2938 OD1 ASP C 92 16.727 11.528 -10.782 1.00 38.49 O ATOM 2939 OD2 ASP C 92 14.830 12.129 -11.639 1.00 38.80 O ATOM 2940 H ASP C 92 17.883 13.693 -9.885 1.00 0.00 H ATOM 2941 N ARG C 93 17.944 11.086 -7.773 1.00 35.40 N ATOM 2942 CA ARG C 93 18.306 9.839 -7.094 1.00 34.84 C ATOM 2943 C ARG C 93 19.396 10.071 -6.010 1.00 34.11 C ATOM 2944 O ARG C 93 20.308 9.256 -5.838 1.00 34.26 O ATOM 2945 CB ARG C 93 18.738 8.806 -8.147 1.00 34.41 C ATOM 2946 CG ARG C 93 17.646 8.491 -9.173 1.00 33.65 C ATOM 2947 CD ARG C 93 18.142 7.628 -10.328 1.00 32.79 C ATOM 2948 NE ARG C 93 18.662 6.341 -9.882 1.00 32.09 N ATOM 2949 CZ ARG C 93 17.927 5.340 -9.399 1.00 32.11 C ATOM 2950 NH1 ARG C 93 16.603 5.442 -9.284 1.00 32.67 N ATOM 2951 NH2 ARG C 93 18.521 4.214 -9.015 1.00 31.65 N ATOM 2952 HE ARG C 93 19.689 6.192 -9.946 1.00 0.00 H ATOM 2953 HH12 ARG C 93 16.051 4.647 -8.904 1.00 0.00 H ATOM 2954 HH11 ARG C 93 16.122 6.317 -9.574 1.00 0.00 H ATOM 2955 HH22 ARG C 93 17.953 3.429 -8.637 1.00 0.00 H ATOM 2956 HH21 ARG C 93 19.554 4.118 -9.092 1.00 0.00 H ATOM 2957 H ARG C 93 18.694 11.627 -8.249 1.00 0.00 H ATOM 2958 N VAL C 94 19.274 11.182 -5.281 1.00 31.59 N ATOM 2959 CA VAL C 94 20.211 11.551 -4.220 1.00 30.78 C ATOM 2960 C VAL C 94 19.447 11.946 -2.965 1.00 30.42 C ATOM 2961 O VAL C 94 18.683 12.911 -3.003 1.00 29.43 O ATOM 2962 CB VAL C 94 21.099 12.757 -4.628 1.00 29.97 C ATOM 2963 CG1 VAL C 94 21.977 13.227 -3.463 1.00 29.25 C ATOM 2964 CG2 VAL C 94 21.933 12.411 -5.850 1.00 30.14 C ATOM 2965 H VAL C 94 18.474 11.817 -5.477 1.00 0.00 H ATOM 2966 N TYR C 95 19.664 11.227 -1.859 1.00 30.67 N ATOM 2967 CA TYR C 95 19.216 11.704 -0.541 1.00 31.70 C ATOM 2968 C TYR C 95 20.386 12.269 0.258 1.00 29.97 C ATOM 2969 O TYR C 95 21.490 11.728 0.209 1.00 30.71 O ATOM 2970 CB TYR C 95 18.510 10.600 0.261 1.00 32.77 C ATOM 2971 CG TYR C 95 17.150 10.195 -0.275 1.00 34.43 C ATOM 2972 CD1 TYR C 95 16.234 11.153 -0.733 1.00 34.73 C ATOM 2973 CD2 TYR C 95 16.756 8.848 -0.300 1.00 35.61 C ATOM 2974 CE1 TYR C 95 14.990 10.783 -1.222 1.00 34.66 C ATOM 2975 CE2 TYR C 95 15.500 8.471 -0.775 1.00 35.20 C ATOM 2976 CZ TYR C 95 14.625 9.447 -1.241 1.00 35.49 C ATOM 2977 OH TYR C 95 13.382 9.119 -1.724 1.00 35.70 O ATOM 2978 HH TYR C 95 12.862 8.667 -1.013 1.00 0.00 H ATOM 2979 H TYR C 95 20.158 10.315 -1.931 1.00 0.00 H ATOM 2980 N ILE C 96 20.142 13.370 0.965 1.00 28.41 N ATOM 2981 CA ILE C 96 21.114 13.940 1.899 1.00 28.85 C ATOM 2982 C ILE C 96 20.406 14.184 3.225 1.00 28.47 C ATOM 2983 O ILE C 96 19.506 15.018 3.293 1.00 28.85 O ATOM 2984 CB ILE C 96 21.693 15.282 1.394 1.00 28.84 C ATOM 2985 CG1 ILE C 96 22.289 15.138 -0.008 1.00 29.48 C ATOM 2986 CG2 ILE C 96 22.749 15.817 2.358 1.00 28.38 C ATOM 2987 CD1 ILE C 96 22.252 16.434 -0.793 1.00 30.69 C ATOM 2988 H ILE C 96 19.224 13.844 0.849 1.00 0.00 H ATOM 2989 N ASN C 97 20.798 13.462 4.270 1.00 27.02 N ATOM 2990 CA ASN C 97 20.226 13.678 5.589 1.00 27.40 C ATOM 2991 C ASN C 97 21.062 14.696 6.351 1.00 27.91 C ATOM 2992 O ASN C 97 22.281 14.534 6.473 1.00 27.43 O ATOM 2993 CB ASN C 97 20.174 12.381 6.390 1.00 29.17 C ATOM 2994 CG ASN C 97 19.140 11.395 5.863 1.00 29.58 C ATOM 2995 OD1 ASN C 97 19.096 11.099 4.665 1.00 30.84 O ATOM 2996 ND2 ASN C 97 18.319 10.869 6.759 1.00 27.75 N ATOM 2997 HD22 ASN C 97 18.392 11.148 7.758 1.00 0.00 H ATOM 2998 HD21 ASN C 97 17.601 10.177 6.463 1.00 0.00 H ATOM 2999 H ASN C 97 21.526 12.730 4.142 1.00 0.00 H ATOM 3000 N TYR C 98 20.408 15.729 6.882 1.00 27.49 N ATOM 3001 CA TYR C 98 21.072 16.745 7.706 1.00 27.21 C ATOM 3002 C TYR C 98 20.751 16.535 9.167 1.00 26.34 C ATOM 3003 O TYR C 98 19.634 16.157 9.519 1.00 27.32 O ATOM 3004 CB TYR C 98 20.644 18.153 7.298 1.00 27.11 C ATOM 3005 CG TYR C 98 20.946 18.469 5.867 1.00 26.64 C ATOM 3006 CD1 TYR C 98 22.198 18.942 5.487 1.00 27.05 C ATOM 3007 CD2 TYR C 98 19.991 18.275 4.882 1.00 26.68 C ATOM 3008 CE1 TYR C 98 22.478 19.229 4.159 1.00 26.83 C ATOM 3009 CE2 TYR C 98 20.264 18.559 3.553 1.00 27.38 C ATOM 3010 CZ TYR C 98 21.507 19.041 3.200 1.00 26.57 C ATOM 3011 OH TYR C 98 21.772 19.315 1.886 1.00 27.67 O ATOM 3012 HH TYR C 98 21.140 20.003 1.560 1.00 0.00 H ATOM 3013 H TYR C 98 19.387 15.818 6.705 1.00 0.00 H ATOM 3014 N TYR C 99 21.747 16.806 10.004 1.00 26.37 N ATOM 3015 CA TYR C 99 21.712 16.546 11.428 1.00 26.02 C ATOM 3016 C TYR C 99 22.371 17.708 12.141 1.00 27.28 C ATOM 3017 O TYR C 99 23.430 18.178 11.734 1.00 27.11 O ATOM 3018 CB TYR C 99 22.475 15.260 11.742 1.00 26.21 C ATOM 3019 CG TYR C 99 21.893 14.050 11.056 1.00 25.23 C ATOM 3020 CD1 TYR C 99 20.723 13.450 11.531 1.00 25.75 C ATOM 3021 CD2 TYR C 99 22.490 13.521 9.922 1.00 24.98 C ATOM 3022 CE1 TYR C 99 20.160 12.345 10.887 1.00 25.63 C ATOM 3023 CE2 TYR C 99 21.948 12.418 9.276 1.00 25.94 C ATOM 3024 CZ TYR C 99 20.781 11.832 9.758 1.00 26.48 C ATOM 3025 OH TYR C 99 20.253 10.735 9.096 1.00 27.32 O ATOM 3026 HH TYR C 99 19.430 10.437 9.558 1.00 0.00 H ATOM 3027 H TYR C 99 22.609 17.233 9.610 1.00 0.00 H ATOM 3028 N ASP C 100 21.712 18.164 13.196 1.00 29.88 N ATOM 3029 CA ASP C 100 22.226 19.169 14.111 1.00 29.77 C ATOM 3030 C ASP C 100 22.711 18.369 15.312 1.00 28.46 C ATOM 3031 O ASP C 100 21.895 17.900 16.106 1.00 27.84 O ATOM 3032 CB ASP C 100 21.089 20.145 14.480 1.00 32.04 C ATOM 3033 CG ASP C 100 21.461 21.146 15.582 1.00 32.73 C ATOM 3034 OD1 ASP C 100 22.566 21.073 16.172 1.00 33.83 O ATOM 3035 OD2 ASP C 100 20.608 22.017 15.855 1.00 32.79 O ATOM 3036 H ASP C 100 20.765 17.777 13.381 1.00 0.00 H ATOM 3037 N MET C 101 24.030 18.185 15.408 1.00 27.34 N ATOM 3038 CA MET C 101 24.654 17.542 16.563 1.00 27.34 C ATOM 3039 C MET C 101 24.899 18.577 17.659 1.00 28.04 C ATOM 3040 O MET C 101 25.366 19.684 17.378 1.00 29.53 O ATOM 3041 CB MET C 101 25.996 16.883 16.177 1.00 26.74 C ATOM 3042 CG MET C 101 25.898 15.737 15.170 1.00 26.03 C ATOM 3043 SD MET C 101 24.855 14.335 15.626 1.00 26.16 S ATOM 3044 CE MET C 101 25.482 13.926 17.260 1.00 25.40 C ATOM 3045 H MET C 101 24.638 18.512 14.630 1.00 0.00 H ATOM 3046 N ASN C 102 24.574 18.223 18.900 1.00 28.11 N ATOM 3047 CA ASN C 102 25.037 18.994 20.060 1.00 28.22 C ATOM 3048 C ASN C 102 26.535 18.801 20.213 1.00 28.99 C ATOM 3049 O ASN C 102 27.041 17.684 20.017 1.00 28.55 O ATOM 3050 CB ASN C 102 24.360 18.527 21.350 1.00 27.94 C ATOM 3051 CG ASN C 102 22.883 18.834 21.375 1.00 28.39 C ATOM 3052 OD1 ASN C 102 22.411 19.736 20.691 1.00 28.09 O ATOM 3053 ND2 ASN C 102 22.145 18.093 22.184 1.00 29.46 N ATOM 3054 HD22 ASN C 102 22.587 17.338 22.746 1.00 0.00 H ATOM 3055 HD21 ASN C 102 21.122 18.265 22.258 1.00 0.00 H ATOM 3056 H ASN C 102 23.980 17.383 19.051 1.00 0.00 H ATOM 3057 N ALA C 103 27.230 19.880 20.581 1.00 28.94 N ATOM 3058 CA ALA C 103 28.676 19.857 20.817 1.00 29.02 C ATOM 3059 C ALA C 103 29.135 18.705 21.709 1.00 27.51 C ATOM 3060 O ALA C 103 30.106 18.023 21.392 1.00 26.38 O ATOM 3061 CB ALA C 103 29.129 21.178 21.420 1.00 29.91 C ATOM 3062 H ALA C 103 26.721 20.779 20.706 1.00 0.00 H ATOM 3063 N ALA C 104 28.423 18.490 22.814 1.00 28.07 N ATOM 3064 CA ALA C 104 28.767 17.432 23.789 1.00 28.34 C ATOM 3065 C ALA C 104 28.653 15.991 23.261 1.00 27.64 C ATOM 3066 O ALA C 104 29.210 15.068 23.867 1.00 28.85 O ATOM 3067 CB ALA C 104 27.916 17.577 25.045 1.00 28.96 C ATOM 3068 H ALA C 104 27.593 19.089 22.998 1.00 0.00 H ATOM 3069 N ASN C 105 27.921 15.805 22.160 1.00 27.11 N ATOM 3070 CA ASN C 105 27.759 14.498 21.509 1.00 26.77 C ATOM 3071 C ASN C 105 28.619 14.304 20.266 1.00 25.17 C ATOM 3072 O ASN C 105 28.343 13.408 19.461 1.00 24.36 O ATOM 3073 CB ASN C 105 26.287 14.281 21.150 1.00 27.27 C ATOM 3074 CG ASN C 105 25.403 14.226 22.363 1.00 28.90 C ATOM 3075 OD1 ASN C 105 25.844 13.849 23.455 1.00 31.01 O ATOM 3076 ND2 ASN C 105 24.140 14.597 22.187 1.00 30.21 N ATOM 3077 HD22 ASN C 105 23.815 14.907 21.249 1.00 0.00 H ATOM 3078 HD21 ASN C 105 23.476 14.578 22.987 1.00 0.00 H ATOM 3079 H ASN C 105 27.441 16.627 21.742 1.00 0.00 H ATOM 3080 N VAL C 106 29.653 15.127 20.108 1.00 24.36 N ATOM 3081 CA VAL C 106 30.669 14.885 19.101 1.00 23.94 C ATOM 3082 C VAL C 106 31.990 14.736 19.831 1.00 24.38 C ATOM 3083 O VAL C 106 32.536 15.717 20.351 1.00 24.50 O ATOM 3084 CB VAL C 106 30.714 16.012 18.052 1.00 24.00 C ATOM 3085 CG1 VAL C 106 31.871 15.816 17.080 1.00 23.99 C ATOM 3086 CG2 VAL C 106 29.396 16.063 17.291 1.00 23.35 C ATOM 3087 H VAL C 106 29.735 15.963 20.721 1.00 0.00 H ATOM 3088 N GLY C 107 32.482 13.498 19.885 1.00 23.44 N ATOM 3089 CA GLY C 107 33.810 13.211 20.386 1.00 22.74 C ATOM 3090 C GLY C 107 34.882 13.624 19.405 1.00 22.30 C ATOM 3091 O GLY C 107 34.712 13.463 18.199 1.00 22.14 O ATOM 3092 H GLY C 107 31.890 12.709 19.555 1.00 0.00 H ATOM 3093 N TRP C 108 35.980 14.170 19.924 1.00 21.58 N ATOM 3094 CA TRP C 108 37.142 14.518 19.105 1.00 21.86 C ATOM 3095 C TRP C 108 38.352 14.664 20.000 1.00 22.27 C ATOM 3096 O TRP C 108 38.237 15.219 21.082 1.00 23.18 O ATOM 3097 CB TRP C 108 36.900 15.823 18.321 1.00 21.58 C ATOM 3098 CG TRP C 108 38.116 16.370 17.595 1.00 21.23 C ATOM 3099 CD1 TRP C 108 38.714 15.852 16.477 1.00 21.51 C ATOM 3100 CD2 TRP C 108 38.860 17.533 17.936 1.00 21.35 C ATOM 3101 NE1 TRP C 108 39.792 16.619 16.105 1.00 21.36 N ATOM 3102 CE2 TRP C 108 39.903 17.661 16.984 1.00 21.94 C ATOM 3103 CE3 TRP C 108 38.753 18.489 18.952 1.00 21.81 C ATOM 3104 CZ2 TRP C 108 40.833 18.709 17.025 1.00 22.19 C ATOM 3105 CZ3 TRP C 108 39.683 19.530 18.991 1.00 21.82 C ATOM 3106 CH2 TRP C 108 40.712 19.621 18.046 1.00 22.03 C ATOM 3107 HE1 TRP C 108 40.417 16.438 15.294 1.00 0.00 H ATOM 3108 H TRP C 108 36.013 14.356 20.947 1.00 0.00 H ATOM 3109 N ASN C 109 39.497 14.147 19.555 1.00 23.95 N ATOM 3110 CA ASN C 109 40.798 14.391 20.210 1.00 24.83 C ATOM 3111 C ASN C 109 40.743 14.194 21.727 1.00 24.26 C ATOM 3112 O ASN C 109 41.047 15.099 22.483 1.00 22.76 O ATOM 3113 CB ASN C 109 41.298 15.801 19.843 1.00 25.07 C ATOM 3114 CG ASN C 109 42.785 16.015 20.145 1.00 25.09 C ATOM 3115 OD1 ASN C 109 43.608 15.103 20.048 1.00 25.16 O ATOM 3116 ND2 ASN C 109 43.131 17.246 20.477 1.00 25.10 N ATOM 3117 HD22 ASN C 109 42.406 17.988 20.548 1.00 0.00 H ATOM 3118 HD21 ASN C 109 44.128 17.473 20.667 1.00 0.00 H ATOM 3119 H ASN C 109 39.473 13.544 18.708 1.00 0.00 H ATOM 3120 N ASN C 110 40.304 13.002 22.134 1.00 25.48 N ATOM 3121 CA ASN C 110 40.227 12.546 23.559 1.00 27.16 C ATOM 3122 C ASN C 110 39.178 13.214 24.468 1.00 27.86 C ATOM 3123 O ASN C 110 39.062 12.836 25.636 1.00 28.45 O ATOM 3124 CB ASN C 110 41.609 12.561 24.254 1.00 27.03 C ATOM 3125 CG ASN C 110 42.607 11.630 23.590 1.00 27.27 C ATOM 3126 OD1 ASN C 110 42.296 10.478 23.285 1.00 27.68 O ATOM 3127 ND2 ASN C 110 43.822 12.117 23.388 1.00 27.44 N ATOM 3128 HD22 ASN C 110 44.042 13.096 23.661 1.00 0.00 H ATOM 3129 HD21 ASN C 110 44.556 11.520 22.957 1.00 0.00 H ATOM 3130 H ASN C 110 39.989 12.334 21.402 1.00 0.00 H ATOM 3131 N SER C 111 38.415 14.172 23.935 1.00 28.81 N ATOM 3132 CA SER C 111 37.337 14.837 24.671 1.00 30.58 C ATOM 3133 C SER C 111 36.158 15.055 23.710 1.00 29.99 C ATOM 3134 O SER C 111 36.031 14.335 22.718 1.00 29.92 O ATOM 3135 CB SER C 111 37.852 16.166 25.262 1.00 30.97 C ATOM 3136 OG SER C 111 37.026 16.615 26.331 1.00 30.29 O ATOM 3137 HG SER C 111 37.383 17.467 26.687 1.00 0.00 H ATOM 3138 H SER C 111 38.595 14.459 22.952 1.00 0.00 H ATOM 3139 N THR C 112 35.300 16.030 24.013 1.00 30.44 N ATOM 3140 CA THR C 112 34.217 16.447 23.120 1.00 29.89 C ATOM 3141 C THR C 112 34.240 17.950 22.994 1.00 30.11 C ATOM 3142 O THR C 112 34.892 18.641 23.781 1.00 29.69 O ATOM 3143 CB THR C 112 32.850 16.092 23.693 1.00 30.39 C ATOM 3144 OG1 THR C 112 32.758 16.617 25.017 1.00 30.89 O ATOM 3145 CG2 THR C 112 32.636 14.584 23.719 1.00 30.86 C ATOM 3146 HG1 THR C 112 32.866 17.601 24.989 1.00 0.00 H ATOM 3147 H THR C 112 35.405 16.517 24.926 1.00 0.00 H ATOM 3148 N PHE C 113 33.492 18.458 22.026 1.00 29.44 N ATOM 3149 CA PHE C 113 33.325 19.901 21.869 1.00 29.69 C ATOM 3150 C PHE C 113 32.472 20.521 23.012 1.00 30.29 C ATOM 3151 O PHE C 113 31.669 19.817 23.619 1.00 30.41 O ATOM 3152 CB PHE C 113 32.728 20.193 20.489 1.00 28.48 C ATOM 3153 CG PHE C 113 33.667 19.902 19.351 1.00 27.60 C ATOM 3154 CD1 PHE C 113 34.672 20.807 19.014 1.00 27.18 C ATOM 3155 CD2 PHE C 113 33.546 18.734 18.600 1.00 26.82 C ATOM 3156 CE1 PHE C 113 35.538 20.545 17.963 1.00 26.36 C ATOM 3157 CE2 PHE C 113 34.416 18.469 17.551 1.00 25.24 C ATOM 3158 CZ PHE C 113 35.410 19.372 17.235 1.00 26.09 C ATOM 3159 H PHE C 113 33.013 17.816 21.363 1.00 0.00 H ATOM 3160 N ALA C 114 32.724 21.804 23.318 1.00 31.68 N ATOM 3161 CA ALA C 114 31.912 22.706 24.205 1.00 34.71 C ATOM 3162 C ALA C 114 31.043 22.194 25.364 1.00 39.70 C ATOM 3163 O ALA C 114 31.130 22.759 26.466 1.00 40.63 O ATOM 3164 CB ALA C 114 31.047 23.597 23.350 1.00 32.72 C ATOM 3165 OXT ALA C 114 30.190 21.289 25.229 1.00 45.27 O ATOM 3166 H ALA C 114 33.577 22.221 22.893 1.00 0.00 H TER 3167 ALA C 114 HETATM 3168 O HOH 1 7.990 5.000 6.825 1.00 32.80 O HETATM 3169 O HOH 2 18.594 4.273 6.815 1.00 31.28 O HETATM 3170 O HOH 3 16.635 -11.500 12.001 1.00 31.07 O HETATM 3171 O HOH 4 5.481 22.041 3.826 1.00 24.48 O HETATM 3172 O HOH 5 2.400 2.535 0.475 1.00 31.77 O HETATM 3173 O HOH 6 9.204 6.495 -0.025 1.00 47.10 O HETATM 3174 O HOH 7 47.450 15.506 7.291 1.00 31.29 O HETATM 3175 O HOH 8 27.219 9.258 12.959 1.00 18.31 O HETATM 3176 O HOH 9 42.742 8.087 17.991 1.00 30.68 O HETATM 3177 O HOH 10 35.318 -6.096 30.191 1.00 25.45 O HETATM 3178 O HOH 11 30.405 -7.376 19.787 1.00 23.92 O HETATM 3179 O HOH 12 47.901 -8.431 15.298 1.00 23.45 O HETATM 3180 O HOH 13 24.647 19.769 8.387 1.00 26.38 O HETATM 3181 O HOH 14 14.350 0.889 -3.904 1.00 27.25 O HETATM 3182 O HOH 15 23.244 14.569 -8.183 1.00 25.31 O HETATM 3183 O HOH 16 38.166 16.642 4.430 1.00 17.57 O HETATM 3184 O HOH 17 34.271 21.791 10.224 1.00 42.68 O HETATM 3185 O HOH 18 15.385 28.374 8.536 1.00 30.16 O HETATM 3186 C14 EWD A 19 12.970 9.770 2.904 1.00 -0.04 C HETATM 3187 C15 EWD A 19 12.894 10.155 1.567 1.00 -0.07 C HETATM 3188 C16 EWD A 19 11.682 10.109 0.872 1.00 -0.03 C HETATM 3189 C17 EWD A 19 10.523 9.679 1.516 1.00 0.13 C HETATM 3190 C18 EWD A 19 10.619 9.282 2.849 1.00 0.04 C HETATM 3191 C19 EWD A 19 11.824 9.329 3.540 1.00 -0.05 C HETATM 3192 H3 EWD A 19 11.866 9.020 4.578 1.00 0.06 H HETATM 3193 C25 EWD A 19 9.426 8.814 3.617 1.00 0.06 C HETATM 3194 O26 EWD A 19 9.115 7.607 3.572 1.00 -0.56 O HETATM 3195 O27 EWD A 19 8.802 9.657 4.299 1.00 -0.56 O HETATM 3196 O28 EWD A 19 9.315 9.595 0.841 1.00 -0.26 O HETATM 3197 C29 EWD A 19 8.518 10.623 0.367 1.00 0.12 C HETATM 3198 C30 EWD A 19 8.485 11.891 0.965 1.00 -0.03 C HETATM 3199 C31 EWD A 19 7.653 12.883 0.442 1.00 -0.07 C HETATM 3200 C32 EWD A 19 6.851 12.614 -0.670 1.00 -0.07 C HETATM 3201 C33 EWD A 19 6.873 11.354 -1.262 1.00 -0.07 C HETATM 3202 C34 EWD A 19 7.699 10.361 -0.739 1.00 -0.03 C HETATM 3203 H11 EWD A 19 7.708 9.376 -1.192 1.00 0.06 H HETATM 3204 H10 EWD A 19 6.251 11.147 -2.125 1.00 0.06 H HETATM 3205 H9 EWD A 19 6.209 13.389 -1.073 1.00 0.05 H HETATM 3206 H8 EWD A 19 7.629 13.865 0.900 1.00 0.06 H HETATM 3207 H7 EWD A 19 9.103 12.100 1.830 1.00 0.06 H HETATM 3208 H2 EWD A 19 11.643 10.408 -0.169 1.00 0.06 H HETATM 3209 H1 EWD A 19 13.789 10.495 1.058 1.00 0.06 H HETATM 3210 C20 EWD A 19 14.263 9.815 3.638 1.00 -0.01 C HETATM 3211 C21 EWD A 19 14.439 10.011 5.001 1.00 0.06 C HETATM 3212 N22 EWD A 19 15.761 9.984 5.275 1.00 -0.22 N HETATM 3213 N23 EWD A 19 16.404 9.761 4.060 1.00 -0.22 N HETATM 3214 C24 EWD A 19 15.512 9.656 3.068 1.00 0.00 C HETATM 3215 H6 EWD A 19 15.728 9.479 2.015 1.00 0.07 H HETATM 3216 H5 EWD A 19 16.204 10.104 6.197 1.00 0.26 H HETATM 3217 H4 EWD A 19 13.643 10.162 5.729 1.00 0.10 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 3186 3187 3191 3210 CONECT 3187 3186 3188 3209 CONECT 3188 3187 3189 3208 CONECT 3189 3188 3190 3196 CONECT 3190 3189 3191 3193 CONECT 3191 3186 3190 3192 CONECT 3192 3191 CONECT 3193 3190 3194 3195 CONECT 3194 3193 CONECT 3195 3193 CONECT 3196 3189 3197 CONECT 3197 3196 3198 3202 CONECT 3198 3197 3199 3207 CONECT 3199 3198 3200 3206 CONECT 3200 3199 3201 3205 CONECT 3201 3200 3202 3204 CONECT 3202 3197 3201 3203 CONECT 3203 3202 CONECT 3204 3201 CONECT 3205 3200 CONECT 3206 3199 CONECT 3207 3198 CONECT 3208 3188 CONECT 3209 3187 CONECT 3210 3186 3211 3214 CONECT 3211 3210 3212 3217 CONECT 3212 3211 3213 3216 CONECT 3213 3212 3214 CONECT 3214 3210 3213 3215 CONECT 3215 3214 CONECT 3216 3212 CONECT 3217 3211 MASTER 0 0 0 0 0 0 0 0 3214 3 41 27 END
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Structure:
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Related entries of code: 6cbf
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... *
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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%
4osf
RCSB PDB
PDBbind
114aa, >4OSF_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%
6cbg
RCSB PDB
PDBbind
114aa, >6CBG_1|Chains... at 100%
6cbh
RCSB PDB
PDBbind
114aa, >6CBH_1|Chains... at 100%
6peg
RCSB PDB
PDBbind
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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
6cbf
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Macrophage migration inhibitory factor
Ligand Name
EWD
EC.Number
E.C.5.3.2.1
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Ki=6.8uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ChemMedChem Vol. 13: pp. 1092-1097
Ligand Properties
Formula
C
1
6
H
1
2
N
2
O
3
Molecular Weight
280.278
Exact Mass
280.085
No. of atoms
33
No. of bonds
35
Polar Surface Area
75.21
LOGP Value
3.98 (
Computed with XLOGP3
)
3.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
OC(=O)c1cc(ccc1Oc1ccccc1)c1c[nH]nc1
InChI String
InChI=1S/C16H12N2O3/c19-16(20)14-8-11(12-9-17-18-10-12)6-7-15(14)21-13-4-2-1-3-5-13/h1-10H,(H,17,18)(H,19,20)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P14174
Entrez Gene ID
NCBI Entrez Gene ID:
4282
ASD
Information of known allosteric effects of PDB entries
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