Browse entries in the PDBbind-CN Database
HEADER 6BTO_COMPLEX COMPND 6BTO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 201 ALA ALA THR SER ARG PRO GLU ARG VAL TRP PRO ASP GLY SEQRES 2 A 201 VAL ILE PRO PHE VAL ILE GLY GLY ASN PHE THR GLY SER SEQRES 3 A 201 GLN ARG ALA VAL PHE ARG GLN ALA MET ARG HIS TRP GLU SEQRES 4 A 201 LYS HIS THR CYS VAL THR PHE LEU GLU ARG THR ASP GLU SEQRES 5 A 201 ASP SER TYR ILE VAL PHE THR TYR ARG PRO CYS GLY CYS SEQRES 6 A 201 CYS SER TYR VAL GLY ARG ARG GLY GLY GLY PRO GLN ALA SEQRES 7 A 201 ILE SER ILE GLY LYS ASN CYS ASP LYS PHE GLY ILE VAL SEQRES 8 A 201 VAL HIS GLU LEU GLY HIS VAL VAL GLY PHE TRP HIS GLU SEQRES 9 A 201 HIS THR ARG PRO ASP ARG ASP ARG HIS VAL SER ILE VAL SEQRES 10 A 201 ARG GLU ASN ILE GLN PRO GLY GLN GLU TYR ASN PHE LEU SEQRES 11 A 201 LYS MET GLU PRO GLN GLU VAL GLU SER LEU GLY GLU THR SEQRES 12 A 201 TYR ASP PHE ASP SER ILE MET HIS TYR ALA ARG ASN THR SEQRES 13 A 201 PHE SER ARG GLY ILE PHE LEU ASP THR ILE VAL PRO LYS SEQRES 14 A 201 TYR GLU VAL ASN GLY VAL LYS PRO PRO ILE GLY GLN ARG SEQRES 15 A 201 THR ARG LEU SER LYS GLY ASP ILE ALA GLN ALA ARG LYS SEQRES 16 A 201 LEU TYR LYS CYS PRO ALA HET ZN A 1 1 HET ZN A 2 1 HET E A 8P 65 SSBOND 1 CYS A 65 CYS A 66 SSBOND 2 CYS A 63 CYS A 85 SSBOND 3 CYS A 43 CYS A 199 ATOM 1 N ALA A 1 21.438 9.871 1.889 1.00 24.73 N ATOM 2 CA ALA A 1 21.431 9.142 0.575 1.00 24.93 C ATOM 3 C ALA A 1 21.783 10.073 -0.582 1.00 25.77 C ATOM 4 O ALA A 1 20.916 10.757 -1.124 1.00 25.10 O ATOM 5 CB ALA A 1 20.076 8.502 0.332 1.00 23.53 C ATOM 6 HN3 ALA A 1 20.739 10.641 1.861 1.00 0.00 H ATOM 7 HN2 ALA A 1 22.385 10.266 2.060 1.00 0.00 H ATOM 8 HN1 ALA A 1 21.195 9.209 2.653 1.00 0.00 H ATOM 9 N ALA A 2 23.062 10.099 -0.936 1.00 27.35 N ATOM 10 CA ALA A 2 23.559 10.887 -2.062 1.00 28.63 C ATOM 11 C ALA A 2 23.515 10.065 -3.342 1.00 29.23 C ATOM 12 O ALA A 2 23.778 8.858 -3.328 1.00 29.26 O ATOM 13 CB ALA A 2 24.988 11.352 -1.794 1.00 30.56 C ATOM 14 H ALA A 2 23.741 9.533 -0.388 1.00 0.00 H ATOM 15 N THR A 3 23.192 10.724 -4.450 1.00 29.69 N ATOM 16 CA THR A 3 23.297 10.093 -5.760 1.00 31.02 C ATOM 17 C THR A 3 24.732 9.587 -6.028 1.00 33.37 C ATOM 18 O THR A 3 25.715 10.245 -5.681 1.00 34.31 O ATOM 19 CB THR A 3 22.844 11.019 -6.915 1.00 31.61 C ATOM 20 OG1 THR A 3 22.949 10.312 -8.155 1.00 32.94 O ATOM 21 CG2 THR A 3 23.691 12.298 -7.009 1.00 33.03 C ATOM 22 HG1 THR A 3 22.370 9.509 -8.126 1.00 0.00 H ATOM 23 H THR A 3 22.859 11.707 -4.381 1.00 0.00 H ATOM 24 N SER A 4 24.818 8.399 -6.618 1.00 34.16 N ATOM 25 CA SER A 4 26.095 7.751 -6.956 1.00 36.60 C ATOM 26 C SER A 4 26.572 8.092 -8.364 1.00 39.00 C ATOM 27 O SER A 4 27.685 7.733 -8.741 1.00 41.23 O ATOM 28 CB SER A 4 25.911 6.240 -6.894 1.00 36.32 C ATOM 29 OG SER A 4 24.879 5.861 -7.795 1.00 35.75 O ATOM 30 HG SER A 4 24.755 4.879 -7.759 1.00 0.00 H ATOM 31 H SER A 4 23.936 7.901 -6.853 1.00 0.00 H ATOM 32 N ARG A 5 25.709 8.749 -9.138 1.00 38.67 N ATOM 33 CA ARG A 5 25.965 9.014 -10.542 1.00 41.22 C ATOM 34 C ARG A 5 26.708 10.354 -10.660 1.00 42.62 C ATOM 35 O ARG A 5 26.193 11.375 -10.194 1.00 40.95 O ATOM 36 CB ARG A 5 24.647 9.034 -11.318 1.00 40.39 C ATOM 37 CG ARG A 5 23.790 7.800 -11.073 1.00 38.89 C ATOM 38 CD ARG A 5 22.771 7.572 -12.173 1.00 39.30 C ATOM 39 H ARG A 5 24.818 9.085 -8.720 1.00 0.00 H ATOM 40 N PRO A 6 27.924 10.350 -11.256 1.00 45.72 N ATOM 41 CA PRO A 6 28.699 11.600 -11.362 1.00 47.50 C ATOM 42 C PRO A 6 27.994 12.718 -12.140 1.00 47.66 C ATOM 43 O PRO A 6 28.128 13.886 -11.771 1.00 47.70 O ATOM 44 CB PRO A 6 29.992 11.176 -12.097 1.00 51.09 C ATOM 45 CG PRO A 6 30.030 9.692 -12.050 1.00 50.96 C ATOM 46 CD PRO A 6 28.612 9.225 -11.926 1.00 48.01 C ATOM 47 N GLU A 7 27.251 12.362 -13.191 1.00 48.07 N ATOM 48 CA GLU A 7 26.585 13.357 -14.058 1.00 48.58 C ATOM 49 C GLU A 7 25.493 14.214 -13.380 1.00 45.61 C ATOM 50 O GLU A 7 25.250 15.353 -13.797 1.00 46.03 O ATOM 51 CB GLU A 7 26.040 12.707 -15.345 1.00 50.20 C ATOM 52 CG GLU A 7 24.840 11.770 -15.195 1.00 48.06 C ATOM 53 CD GLU A 7 25.195 10.346 -14.797 1.00 47.98 C ATOM 54 OE1 GLU A 7 26.374 10.059 -14.497 1.00 49.43 O ATOM 55 OE2 GLU A 7 24.273 9.505 -14.763 1.00 46.85 O ATOM 56 H GLU A 7 27.137 11.351 -13.407 1.00 0.00 H ATOM 57 N ARG A 8 24.847 13.674 -12.346 1.00 42.61 N ATOM 58 CA ARG A 8 23.883 14.447 -11.547 1.00 39.90 C ATOM 59 C ARG A 8 24.550 15.401 -10.534 1.00 39.33 C ATOM 60 O ARG A 8 23.859 16.227 -9.934 1.00 37.64 O ATOM 61 CB ARG A 8 22.900 13.509 -10.820 1.00 37.46 C ATOM 62 CG ARG A 8 21.853 12.834 -11.709 1.00 37.47 C ATOM 63 CD ARG A 8 21.118 11.757 -10.913 1.00 35.49 C ATOM 64 NE ARG A 8 19.955 11.159 -11.593 1.00 35.23 N ATOM 65 CZ ARG A 8 18.666 11.316 -11.255 1.00 33.43 C ATOM 66 NH1 ARG A 8 18.286 12.104 -10.249 1.00 31.64 N ATOM 67 NH2 ARG A 8 17.727 10.690 -11.960 1.00 33.70 N ATOM 68 HE ARG A 8 20.153 10.555 -12.416 1.00 0.00 H ATOM 69 HH12 ARG A 8 17.277 12.201 -10.017 1.00 0.00 H ATOM 70 HH11 ARG A 8 18.999 12.622 -9.697 1.00 0.00 H ATOM 71 HH22 ARG A 8 16.725 10.804 -11.708 1.00 0.00 H ATOM 72 HH21 ARG A 8 17.996 10.087 -12.763 1.00 0.00 H ATOM 73 H ARG A 8 25.029 12.681 -12.098 1.00 0.00 H ATOM 74 N VAL A 9 25.864 15.296 -10.330 1.00 40.81 N ATOM 75 CA VAL A 9 26.588 16.214 -9.438 1.00 40.87 C ATOM 76 C VAL A 9 26.851 17.509 -10.210 1.00 42.51 C ATOM 77 O VAL A 9 27.364 17.456 -11.329 1.00 44.96 O ATOM 78 CB VAL A 9 27.922 15.606 -8.934 1.00 42.49 C ATOM 79 CG1 VAL A 9 28.647 16.557 -7.987 1.00 42.95 C ATOM 80 CG2 VAL A 9 27.677 14.270 -8.232 1.00 40.90 C ATOM 81 H VAL A 9 26.392 14.543 -10.816 1.00 0.00 H ATOM 82 N TRP A 10 26.493 18.656 -9.622 1.00 41.18 N ATOM 83 CA TRP A 10 26.679 19.955 -10.283 1.00 42.74 C ATOM 84 C TRP A 10 28.176 20.306 -10.373 1.00 45.51 C ATOM 85 O TRP A 10 28.865 20.325 -9.352 1.00 45.44 O ATOM 86 CB TRP A 10 25.908 21.073 -9.556 1.00 40.98 C ATOM 87 CG TRP A 10 24.401 20.980 -9.695 1.00 38.73 C ATOM 88 CD1 TRP A 10 23.561 20.216 -8.945 1.00 36.26 C ATOM 89 CD2 TRP A 10 23.569 21.682 -10.635 1.00 39.08 C ATOM 90 NE1 TRP A 10 22.263 20.389 -9.355 1.00 35.05 N ATOM 91 CE2 TRP A 10 22.236 21.282 -10.392 1.00 36.70 C ATOM 92 CE3 TRP A 10 23.821 22.605 -11.664 1.00 41.44 C ATOM 93 CZ2 TRP A 10 21.150 21.775 -11.134 1.00 36.47 C ATOM 94 CZ3 TRP A 10 22.737 23.095 -12.409 1.00 41.15 C ATOM 95 CH2 TRP A 10 21.419 22.676 -12.133 1.00 38.71 C ATOM 96 HE1 TRP A 10 21.433 19.917 -8.944 1.00 0.00 H ATOM 97 H TRP A 10 26.072 18.628 -8.672 1.00 0.00 H ATOM 98 N PRO A 11 28.692 20.552 -11.594 1.00 48.16 N ATOM 99 CA PRO A 11 30.112 20.924 -11.741 1.00 51.30 C ATOM 100 C PRO A 11 30.588 22.093 -10.853 1.00 51.39 C ATOM 101 O PRO A 11 29.937 23.148 -10.794 1.00 50.39 O ATOM 102 CB PRO A 11 30.221 21.273 -13.223 1.00 54.05 C ATOM 103 CG PRO A 11 29.234 20.356 -13.866 1.00 52.75 C ATOM 104 CD PRO A 11 28.075 20.280 -12.909 1.00 48.88 C ATOM 105 N ASP A 12 31.699 21.856 -10.148 1.00 52.55 N ATOM 106 CA ASP A 12 32.293 22.789 -9.169 1.00 52.96 C ATOM 107 C ASP A 12 31.368 23.180 -8.006 1.00 49.49 C ATOM 108 O ASP A 12 31.663 24.116 -7.265 1.00 49.78 O ATOM 109 CB ASP A 12 32.832 24.052 -9.866 1.00 55.85 C ATOM 110 CG ASP A 12 33.949 23.753 -10.842 1.00 59.76 C ATOM 111 OD1 ASP A 12 34.833 22.925 -10.531 1.00 61.04 O ATOM 112 OD2 ASP A 12 33.959 24.373 -11.922 1.00 61.87 O ATOM 113 H ASP A 12 32.181 20.947 -10.300 1.00 0.00 H ATOM 114 N GLY A 13 30.273 22.443 -7.821 1.00 46.32 N ATOM 115 CA GLY A 13 29.248 22.813 -6.856 1.00 43.21 C ATOM 116 C GLY A 13 28.529 24.123 -7.115 1.00 42.67 C ATOM 117 O GLY A 13 27.923 24.670 -6.189 1.00 40.90 O ATOM 118 H GLY A 13 30.147 21.577 -8.383 1.00 0.00 H ATOM 119 N VAL A 14 28.587 24.625 -8.357 1.00 44.26 N ATOM 120 CA VAL A 14 27.941 25.886 -8.733 1.00 44.06 C ATOM 121 C VAL A 14 26.587 25.549 -9.348 1.00 41.95 C ATOM 122 O VAL A 14 26.508 24.820 -10.338 1.00 42.56 O ATOM 123 CB VAL A 14 28.760 26.718 -9.740 1.00 47.43 C ATOM 124 CG1 VAL A 14 28.129 28.097 -9.929 1.00 47.36 C ATOM 125 CG2 VAL A 14 30.203 26.875 -9.278 1.00 49.95 C ATOM 126 H VAL A 14 29.112 24.098 -9.084 1.00 0.00 H ATOM 127 N ILE A 15 25.534 26.091 -8.744 1.00 39.62 N ATOM 128 CA ILE A 15 24.163 25.817 -9.141 1.00 37.62 C ATOM 129 C ILE A 15 23.552 27.162 -9.504 1.00 37.85 C ATOM 130 O ILE A 15 23.285 27.977 -8.614 1.00 36.90 O ATOM 131 CB ILE A 15 23.356 25.185 -7.988 1.00 34.75 C ATOM 132 CG1 ILE A 15 24.035 23.901 -7.488 1.00 34.57 C ATOM 133 CG2 ILE A 15 21.922 24.882 -8.425 1.00 33.03 C ATOM 134 CD1 ILE A 15 23.649 23.529 -6.075 1.00 32.43 C ATOM 135 H ILE A 15 25.699 26.742 -7.950 1.00 0.00 H ATOM 136 N PRO A 16 23.328 27.411 -10.807 1.00 39.23 N ATOM 137 CA PRO A 16 22.659 28.668 -11.148 1.00 39.42 C ATOM 138 C PRO A 16 21.150 28.592 -10.921 1.00 36.79 C ATOM 139 O PRO A 16 20.579 27.508 -11.006 1.00 35.40 O ATOM 140 CB PRO A 16 22.995 28.872 -12.633 1.00 42.26 C ATOM 141 CG PRO A 16 23.627 27.602 -13.107 1.00 43.18 C ATOM 142 CD PRO A 16 23.569 26.584 -12.002 1.00 40.78 C ATOM 143 N PHE A 17 20.516 29.734 -10.634 1.00 36.20 N ATOM 144 CA PHE A 17 19.067 29.767 -10.362 1.00 33.98 C ATOM 145 C PHE A 17 18.322 30.912 -11.044 1.00 34.63 C ATOM 146 O PHE A 17 18.895 31.967 -11.325 1.00 36.38 O ATOM 147 CB PHE A 17 18.797 29.824 -8.850 1.00 31.98 C ATOM 148 CG PHE A 17 19.190 31.129 -8.199 1.00 32.76 C ATOM 149 CD1 PHE A 17 18.289 32.192 -8.126 1.00 32.51 C ATOM 150 CD2 PHE A 17 20.458 31.291 -7.639 1.00 33.90 C ATOM 151 CE1 PHE A 17 18.650 33.391 -7.523 1.00 33.32 C ATOM 152 CE2 PHE A 17 20.822 32.490 -7.033 1.00 34.76 C ATOM 153 CZ PHE A 17 19.917 33.542 -6.974 1.00 34.41 C ATOM 154 H PHE A 17 21.058 30.621 -10.602 1.00 0.00 H ATOM 155 N VAL A 18 17.033 30.671 -11.286 1.00 33.16 N ATOM 156 CA VAL A 18 16.062 31.702 -11.633 1.00 33.22 C ATOM 157 C VAL A 18 14.950 31.630 -10.590 1.00 30.63 C ATOM 158 O VAL A 18 14.445 30.537 -10.300 1.00 29.11 O ATOM 159 CB VAL A 18 15.479 31.464 -13.044 1.00 34.62 C ATOM 160 CG1 VAL A 18 14.235 32.313 -13.300 1.00 34.69 C ATOM 161 CG2 VAL A 18 16.534 31.761 -14.101 1.00 37.43 C ATOM 162 H VAL A 18 16.700 29.688 -11.223 1.00 0.00 H ATOM 163 N ILE A 19 14.574 32.776 -10.019 1.00 30.13 N ATOM 164 CA ILE A 19 13.321 32.865 -9.258 1.00 28.22 C ATOM 165 C ILE A 19 12.242 33.315 -10.232 1.00 28.85 C ATOM 166 O ILE A 19 12.294 34.434 -10.736 1.00 30.30 O ATOM 167 CB ILE A 19 13.397 33.852 -8.074 1.00 27.77 C ATOM 168 CG1 ILE A 19 14.453 33.386 -7.073 1.00 27.16 C ATOM 169 CG2 ILE A 19 12.033 33.968 -7.382 1.00 26.42 C ATOM 170 CD1 ILE A 19 14.873 34.449 -6.086 1.00 27.54 C ATOM 171 H ILE A 19 15.177 33.618 -10.114 1.00 0.00 H ATOM 172 N GLY A 20 11.261 32.446 -10.476 1.00 27.76 N ATOM 173 CA GLY A 20 10.154 32.753 -11.373 1.00 28.50 C ATOM 174 C GLY A 20 9.220 33.824 -10.842 1.00 28.16 C ATOM 175 O GLY A 20 9.388 34.320 -9.731 1.00 27.23 O ATOM 176 H GLY A 20 11.286 31.517 -10.010 1.00 0.00 H ATOM 177 N GLY A 21 8.221 34.169 -11.647 1.00 29.03 N ATOM 178 CA GLY A 21 7.233 35.171 -11.278 1.00 29.05 C ATOM 179 C GLY A 21 6.183 34.677 -10.299 1.00 27.26 C ATOM 180 O GLY A 21 6.202 33.517 -9.865 1.00 25.90 O ATOM 181 H GLY A 21 8.142 33.706 -12.575 1.00 0.00 H ATOM 182 N ASN A 22 5.285 35.593 -9.937 1.00 27.42 N ATOM 183 CA ASN A 22 4.123 35.340 -9.060 1.00 26.30 C ATOM 184 C ASN A 22 4.414 35.072 -7.578 1.00 24.39 C ATOM 185 O ASN A 22 3.499 34.716 -6.838 1.00 23.75 O ATOM 186 CB ASN A 22 3.235 34.217 -9.627 1.00 26.34 C ATOM 187 CG ASN A 22 2.790 34.490 -11.049 1.00 28.40 C ATOM 188 OD1 ASN A 22 2.631 35.633 -11.446 1.00 29.87 O ATOM 189 ND2 ASN A 22 2.590 33.432 -11.821 1.00 28.79 N ATOM 190 HD22 ASN A 22 2.738 32.475 -11.441 1.00 0.00 H ATOM 191 HD21 ASN A 22 2.285 33.558 -12.807 1.00 0.00 H ATOM 192 H ASN A 22 5.412 36.560 -10.299 1.00 0.00 H ATOM 193 N PHE A 23 5.661 35.252 -7.135 1.00 23.68 N ATOM 194 CA PHE A 23 5.998 35.138 -5.715 1.00 22.24 C ATOM 195 C PHE A 23 6.007 36.512 -5.070 1.00 22.77 C ATOM 196 O PHE A 23 6.325 37.497 -5.731 1.00 24.07 O ATOM 197 CB PHE A 23 7.374 34.522 -5.532 1.00 21.58 C ATOM 198 CG PHE A 23 7.440 33.077 -5.894 1.00 20.73 C ATOM 199 CD1 PHE A 23 6.842 32.124 -5.086 1.00 19.44 C ATOM 200 CD2 PHE A 23 8.113 32.665 -7.032 1.00 21.41 C ATOM 201 CE1 PHE A 23 6.910 30.784 -5.407 1.00 18.74 C ATOM 202 CE2 PHE A 23 8.193 31.324 -7.356 1.00 20.77 C ATOM 203 CZ PHE A 23 7.588 30.383 -6.547 1.00 19.39 C ATOM 204 H PHE A 23 6.413 35.479 -7.817 1.00 0.00 H ATOM 205 N THR A 24 5.674 36.574 -3.782 1.00 21.90 N ATOM 206 CA THR A 24 5.814 37.824 -3.024 1.00 22.54 C ATOM 207 C THR A 24 7.301 38.083 -2.777 1.00 22.55 C ATOM 208 O THR A 24 8.117 37.152 -2.804 1.00 21.70 O ATOM 209 CB THR A 24 5.122 37.778 -1.645 1.00 22.07 C ATOM 210 OG1 THR A 24 5.707 36.745 -0.848 1.00 20.85 O ATOM 211 CG2 THR A 24 3.610 37.551 -1.771 1.00 22.24 C ATOM 212 HG1 THR A 24 5.261 36.719 0.035 1.00 0.00 H ATOM 213 H THR A 24 5.309 35.724 -3.306 1.00 0.00 H ATOM 214 N GLY A 25 7.638 39.340 -2.512 1.00 23.58 N ATOM 215 CA GLY A 25 8.997 39.710 -2.096 1.00 23.98 C ATOM 216 C GLY A 25 9.467 38.887 -0.903 1.00 22.88 C ATOM 217 O GLY A 25 10.595 38.410 -0.866 1.00 22.72 O ATOM 218 H GLY A 25 6.918 40.085 -2.602 1.00 0.00 H ATOM 219 N SER A 26 8.570 38.721 0.063 1.00 22.32 N ATOM 220 CA SER A 26 8.781 37.863 1.231 1.00 21.39 C ATOM 221 C SER A 26 9.185 36.426 0.869 1.00 20.07 C ATOM 222 O SER A 26 10.180 35.895 1.376 1.00 19.83 O ATOM 223 CB SER A 26 7.490 37.863 2.060 1.00 21.28 C ATOM 224 OG SER A 26 7.604 37.039 3.199 1.00 20.71 O ATOM 225 HG SER A 26 6.756 37.063 3.709 1.00 0.00 H ATOM 226 H SER A 26 7.666 39.230 -0.015 1.00 0.00 H ATOM 227 N GLN A 27 8.409 35.798 -0.006 1.00 19.40 N ATOM 228 CA GLN A 27 8.721 34.443 -0.488 1.00 18.31 C ATOM 229 C GLN A 27 10.068 34.383 -1.205 1.00 18.61 C ATOM 230 O GLN A 27 10.845 33.444 -0.987 1.00 18.03 O ATOM 231 CB GLN A 27 7.617 33.930 -1.428 1.00 18.03 C ATOM 232 CG GLN A 27 6.349 33.497 -0.703 1.00 17.56 C ATOM 233 CD GLN A 27 5.147 33.282 -1.624 1.00 17.80 C ATOM 234 OE1 GLN A 27 4.975 33.975 -2.640 1.00 18.79 O ATOM 235 NE2 GLN A 27 4.306 32.330 -1.264 1.00 17.15 N ATOM 236 HE22 GLN A 27 4.488 31.773 -0.405 1.00 0.00 H ATOM 237 HE21 GLN A 27 3.461 32.137 -1.839 1.00 0.00 H ATOM 238 H GLN A 27 7.557 36.277 -0.361 1.00 0.00 H ATOM 239 N ARG A 28 10.325 35.370 -2.064 1.00 19.70 N ATOM 240 CA ARG A 28 11.604 35.463 -2.795 1.00 20.50 C ATOM 241 C ARG A 28 12.797 35.489 -1.836 1.00 20.67 C ATOM 242 O ARG A 28 13.820 34.858 -2.100 1.00 20.77 O ATOM 243 CB ARG A 28 11.671 36.711 -3.682 1.00 22.07 C ATOM 244 CG ARG A 28 10.644 36.793 -4.805 1.00 22.37 C ATOM 245 CD ARG A 28 10.803 38.073 -5.620 1.00 24.19 C ATOM 246 NE ARG A 28 11.510 37.753 -6.860 1.00 25.17 N ATOM 247 CZ ARG A 28 12.633 38.300 -7.320 1.00 26.70 C ATOM 248 NH1 ARG A 28 13.277 39.308 -6.699 1.00 27.54 N ATOM 249 NH2 ARG A 28 13.114 37.830 -8.474 1.00 27.66 N ATOM 250 HE ARG A 28 11.085 37.011 -7.452 1.00 0.00 H ATOM 251 HH12 ARG A 28 14.152 39.695 -7.107 1.00 0.00 H ATOM 252 HH11 ARG A 28 12.899 39.698 -5.812 1.00 0.00 H ATOM 253 HH22 ARG A 28 13.989 38.226 -8.873 1.00 0.00 H ATOM 254 HH21 ARG A 28 12.614 37.068 -8.974 1.00 0.00 H ATOM 255 H ARG A 28 9.600 36.098 -2.224 1.00 0.00 H ATOM 256 N ALA A 29 12.652 36.232 -0.737 1.00 20.91 N ATOM 257 CA ALA A 29 13.707 36.339 0.275 1.00 21.43 C ATOM 258 C ALA A 29 13.976 35.009 0.976 1.00 20.29 C ATOM 259 O ALA A 29 15.119 34.684 1.262 1.00 20.77 O ATOM 260 CB ALA A 29 13.358 37.412 1.296 1.00 22.16 C ATOM 261 H ALA A 29 11.762 36.751 -0.594 1.00 0.00 H ATOM 262 N VAL A 30 12.921 34.253 1.257 1.00 18.98 N ATOM 263 CA VAL A 30 13.070 32.917 1.859 1.00 17.93 C ATOM 264 C VAL A 30 13.851 31.967 0.945 1.00 17.68 C ATOM 265 O VAL A 30 14.677 31.196 1.444 1.00 17.57 O ATOM 266 CB VAL A 30 11.708 32.325 2.299 1.00 16.79 C ATOM 267 CG1 VAL A 30 11.794 30.832 2.615 1.00 15.69 C ATOM 268 CG2 VAL A 30 11.192 33.078 3.524 1.00 17.36 C ATOM 269 H VAL A 30 11.968 34.612 1.047 1.00 0.00 H ATOM 270 N PHE A 31 13.629 32.047 -0.368 1.00 17.87 N ATOM 271 CA PHE A 31 14.388 31.216 -1.323 1.00 18.04 C ATOM 272 C PHE A 31 15.868 31.533 -1.274 1.00 19.44 C ATOM 273 O PHE A 31 16.715 30.631 -1.274 1.00 19.44 O ATOM 274 CB PHE A 31 13.910 31.403 -2.763 1.00 18.44 C ATOM 275 CG PHE A 31 12.471 31.065 -2.981 1.00 17.49 C ATOM 276 CD1 PHE A 31 11.826 30.105 -2.199 1.00 16.17 C ATOM 277 CD2 PHE A 31 11.755 31.705 -3.984 1.00 18.18 C ATOM 278 CE1 PHE A 31 10.501 29.809 -2.408 1.00 15.60 C ATOM 279 CE2 PHE A 31 10.419 31.412 -4.199 1.00 17.60 C ATOM 280 CZ PHE A 31 9.795 30.461 -3.414 1.00 16.34 C ATOM 281 H PHE A 31 12.908 32.707 -0.725 1.00 0.00 H ATOM 282 N ARG A 32 16.153 32.830 -1.218 1.00 20.80 N ATOM 283 CA ARG A 32 17.497 33.323 -1.095 1.00 22.51 C ATOM 284 C ARG A 32 18.178 32.845 0.179 1.00 22.59 C ATOM 285 O ARG A 32 19.322 32.403 0.141 1.00 23.44 O ATOM 286 CB ARG A 32 17.485 34.858 -1.167 1.00 23.87 C ATOM 287 CG ARG A 32 17.189 35.376 -2.568 1.00 24.58 C ATOM 288 CD ARG A 32 18.347 35.068 -3.503 1.00 25.95 C ATOM 289 NE ARG A 32 19.565 35.558 -2.880 1.00 27.46 N ATOM 290 CZ ARG A 32 19.943 36.832 -2.859 1.00 29.10 C ATOM 291 NH1 ARG A 32 19.234 37.767 -3.472 1.00 29.49 N ATOM 292 NH2 ARG A 32 21.043 37.173 -2.218 1.00 30.57 N ATOM 293 HE ARG A 32 20.185 34.862 -2.418 1.00 0.00 H ATOM 294 HH12 ARG A 32 19.546 38.759 -3.444 1.00 0.00 H ATOM 295 HH11 ARG A 32 18.365 37.510 -3.982 1.00 0.00 H ATOM 296 HH22 ARG A 32 21.345 38.168 -2.197 1.00 0.00 H ATOM 297 HH21 ARG A 32 21.609 36.447 -1.733 1.00 0.00 H ATOM 298 H ARG A 32 15.372 33.515 -1.265 1.00 0.00 H ATOM 299 N GLN A 33 17.462 32.921 1.295 1.00 21.99 N ATOM 300 CA GLN A 33 18.005 32.476 2.578 1.00 22.32 C ATOM 301 C GLN A 33 18.256 30.971 2.575 1.00 21.56 C ATOM 302 O GLN A 33 19.281 30.517 3.108 1.00 22.35 O ATOM 303 CB GLN A 33 17.083 32.875 3.726 1.00 21.88 C ATOM 304 CG GLN A 33 17.074 34.380 3.970 1.00 23.23 C ATOM 305 CD GLN A 33 15.882 34.868 4.773 1.00 22.85 C ATOM 306 OE1 GLN A 33 14.793 34.304 4.705 1.00 21.47 O ATOM 307 NE2 GLN A 33 16.081 35.944 5.519 1.00 24.26 N ATOM 308 HE22 GLN A 33 17.020 36.391 5.548 1.00 0.00 H ATOM 309 HE21 GLN A 33 15.298 36.342 6.076 1.00 0.00 H ATOM 310 H GLN A 33 16.496 33.305 1.256 1.00 0.00 H ATOM 311 N ALA A 34 17.349 30.210 1.959 1.00 20.36 N ATOM 312 CA ALA A 34 17.513 28.745 1.857 1.00 19.74 C ATOM 313 C ALA A 34 18.760 28.352 1.063 1.00 21.02 C ATOM 314 O ALA A 34 19.501 27.467 1.478 1.00 21.19 O ATOM 315 CB ALA A 34 16.275 28.092 1.262 1.00 18.23 C ATOM 316 H ALA A 34 16.508 30.658 1.542 1.00 0.00 H ATOM 317 N MET A 35 18.994 29.019 -0.062 1.00 22.31 N ATOM 318 CA MET A 35 20.224 28.797 -0.839 1.00 24.09 C ATOM 319 C MET A 35 21.493 29.200 -0.065 1.00 26.12 C ATOM 320 O MET A 35 22.513 28.498 -0.092 1.00 27.01 O ATOM 321 CB MET A 35 20.143 29.550 -2.163 1.00 25.05 C ATOM 322 CG MET A 35 19.085 28.977 -3.094 1.00 23.84 C ATOM 323 SD MET A 35 19.079 29.726 -4.725 1.00 25.39 S ATOM 324 CE MET A 35 18.268 31.290 -4.412 1.00 25.48 C ATOM 325 H MET A 35 18.295 29.711 -0.400 1.00 0.00 H ATOM 326 N ARG A 36 21.403 30.329 0.626 1.00 27.19 N ATOM 327 CA ARG A 36 22.472 30.827 1.493 1.00 29.34 C ATOM 328 C ARG A 36 22.781 29.844 2.623 1.00 29.32 C ATOM 329 O ARG A 36 23.942 29.631 2.964 1.00 30.84 O ATOM 330 CB ARG A 36 22.088 32.213 2.047 1.00 29.98 C ATOM 331 CG ARG A 36 22.893 32.721 3.232 1.00 31.68 C ATOM 332 CD ARG A 36 24.348 32.892 2.884 1.00 34.07 C ATOM 333 NE ARG A 36 25.103 33.448 4.014 1.00 36.02 N ATOM 334 CZ ARG A 36 26.413 33.319 4.206 1.00 38.22 C ATOM 335 NH1 ARG A 36 27.176 32.629 3.350 1.00 38.88 N ATOM 336 NH2 ARG A 36 26.974 33.888 5.276 1.00 40.09 N ATOM 337 HE ARG A 36 24.569 33.988 4.724 1.00 0.00 H ATOM 338 HH12 ARG A 36 28.198 32.541 3.519 1.00 0.00 H ATOM 339 HH11 ARG A 36 26.747 32.181 2.515 1.00 0.00 H ATOM 340 HH22 ARG A 36 27.997 33.795 5.438 1.00 0.00 H ATOM 341 HH21 ARG A 36 26.388 34.424 5.947 1.00 0.00 H ATOM 342 H ARG A 36 20.529 30.888 0.548 1.00 0.00 H ATOM 343 N HIS A 37 21.740 29.252 3.201 1.00 27.98 N ATOM 344 CA HIS A 37 21.913 28.274 4.267 1.00 28.06 C ATOM 345 C HIS A 37 22.745 27.068 3.813 1.00 28.79 C ATOM 346 O HIS A 37 23.570 26.538 4.570 1.00 29.75 O ATOM 347 CB HIS A 37 20.563 27.806 4.778 1.00 26.10 C ATOM 348 CG HIS A 37 20.667 26.817 5.885 1.00 25.83 C ATOM 349 ND1 HIS A 37 21.112 27.155 7.144 1.00 27.12 N ATOM 350 CD2 HIS A 37 20.409 25.493 5.917 1.00 24.64 C ATOM 351 CE1 HIS A 37 21.110 26.080 7.909 1.00 26.80 C ATOM 352 NE2 HIS A 37 20.689 25.058 7.186 1.00 25.20 N ATOM 353 H HIS A 37 20.779 29.493 2.884 1.00 0.00 H ATOM 354 N TRP A 38 22.526 26.654 2.573 1.00 28.69 N ATOM 355 CA TRP A 38 23.370 25.641 1.962 1.00 29.79 C ATOM 356 C TRP A 38 24.816 26.117 1.837 1.00 32.81 C ATOM 357 O TRP A 38 25.744 25.359 2.149 1.00 34.02 O ATOM 358 CB TRP A 38 22.797 25.199 0.605 1.00 28.85 C ATOM 359 CG TRP A 38 21.804 24.113 0.757 1.00 26.85 C ATOM 360 CD1 TRP A 38 20.441 24.228 0.775 1.00 25.30 C ATOM 361 CD2 TRP A 38 22.094 22.730 0.954 1.00 26.45 C ATOM 362 NE1 TRP A 38 19.864 22.987 0.955 1.00 23.91 N ATOM 363 CE2 TRP A 38 20.857 22.053 1.066 1.00 24.54 C ATOM 364 CE3 TRP A 38 23.280 21.990 1.036 1.00 27.64 C ATOM 365 CZ2 TRP A 38 20.776 20.671 1.262 1.00 23.82 C ATOM 366 CZ3 TRP A 38 23.200 20.616 1.225 1.00 26.89 C ATOM 367 CH2 TRP A 38 21.957 19.970 1.334 1.00 24.93 C ATOM 368 HE1 TRP A 38 18.843 22.794 0.999 1.00 0.00 H ATOM 369 H TRP A 38 21.738 27.060 2.029 1.00 0.00 H ATOM 370 N GLU A 39 24.998 27.367 1.406 1.00 34.56 N ATOM 371 CA GLU A 39 26.328 27.956 1.232 1.00 37.75 C ATOM 372 C GLU A 39 27.119 28.146 2.532 1.00 39.71 C ATOM 373 O GLU A 39 28.340 28.000 2.525 1.00 41.88 O ATOM 374 CB GLU A 39 26.234 29.303 0.507 1.00 38.84 C ATOM 375 CG GLU A 39 25.780 29.209 -0.946 1.00 38.44 C ATOM 376 CD GLU A 39 25.387 30.549 -1.555 1.00 39.07 C ATOM 377 OE1 GLU A 39 25.015 31.475 -0.806 1.00 39.16 O ATOM 378 OE2 GLU A 39 25.437 30.673 -2.797 1.00 39.74 O ATOM 379 H GLU A 39 24.163 27.946 1.185 1.00 0.00 H ATOM 380 N LYS A 40 26.446 28.472 3.637 1.00 39.38 N ATOM 381 CA LYS A 40 27.165 28.794 4.883 1.00 41.72 C ATOM 382 C LYS A 40 28.025 27.624 5.389 1.00 42.72 C ATOM 383 O LYS A 40 29.103 27.839 5.939 1.00 45.13 O ATOM 384 CB LYS A 40 26.208 29.255 5.998 1.00 41.04 C ATOM 385 CG LYS A 40 26.925 30.007 7.121 1.00 43.66 C ATOM 386 CD LYS A 40 26.146 30.045 8.429 1.00 43.24 C ATOM 387 CE LYS A 40 26.998 30.656 9.535 1.00 46.22 C ATOM 388 NZ LYS A 40 26.183 31.087 10.704 1.00 46.21 N ATOM 389 HZ1 LYS A 40 25.491 31.801 10.398 1.00 0.00 H ATOM 390 HZ2 LYS A 40 25.683 30.265 11.099 1.00 0.00 H ATOM 391 HZ3 LYS A 40 26.807 31.496 11.429 1.00 0.00 H ATOM 392 H LYS A 40 25.407 28.499 3.619 1.00 0.00 H ATOM 393 N HIS A 41 27.550 26.399 5.175 1.00 41.05 N ATOM 394 CA HIS A 41 28.147 25.209 5.760 1.00 41.77 C ATOM 395 C HIS A 41 28.888 24.312 4.752 1.00 42.28 C ATOM 396 O HIS A 41 29.529 23.347 5.165 1.00 43.26 O ATOM 397 CB HIS A 41 27.037 24.417 6.471 1.00 39.79 C ATOM 398 CG HIS A 41 26.268 25.231 7.468 1.00 39.60 C ATOM 399 ND1 HIS A 41 26.832 25.698 8.636 1.00 41.57 N ATOM 400 CD2 HIS A 41 24.987 25.680 7.462 1.00 37.97 C ATOM 401 CE1 HIS A 41 25.931 26.389 9.313 1.00 41.11 C ATOM 402 NE2 HIS A 41 24.804 26.394 8.622 1.00 38.88 N ATOM 403 H HIS A 41 26.716 26.288 4.563 1.00 0.00 H ATOM 404 N THR A 42 28.815 24.632 3.454 1.00 41.96 N ATOM 405 CA THR A 42 29.377 23.793 2.384 1.00 42.38 C ATOM 406 C THR A 42 30.065 24.644 1.317 1.00 44.56 C ATOM 407 O THR A 42 30.003 25.876 1.351 1.00 45.46 O ATOM 408 CB THR A 42 28.293 22.931 1.676 1.00 39.73 C ATOM 409 OG1 THR A 42 27.465 23.760 0.853 1.00 38.64 O ATOM 410 CG2 THR A 42 27.426 22.166 2.672 1.00 37.57 C ATOM 411 HG1 THR A 42 27.021 24.443 1.416 1.00 0.00 H ATOM 412 H THR A 42 28.338 25.517 3.189 1.00 0.00 H ATOM 413 N CYS A 43 30.717 23.971 0.369 1.00 45.70 N ATOM 414 CA CYS A 43 31.332 24.626 -0.795 1.00 47.74 C ATOM 415 C CYS A 43 30.368 24.731 -1.992 1.00 45.92 C ATOM 416 O CYS A 43 30.783 25.100 -3.090 1.00 47.45 O ATOM 417 CB CYS A 43 32.603 23.873 -1.215 1.00 50.48 C ATOM 418 SG CYS A 43 32.298 22.264 -1.995 1.00 49.59 S ATOM 419 H CYS A 43 30.794 22.938 0.456 1.00 0.00 H ATOM 420 N VAL A 44 29.096 24.392 -1.786 1.00 42.78 N ATOM 421 CA VAL A 44 28.069 24.550 -2.816 1.00 41.25 C ATOM 422 C VAL A 44 27.760 26.040 -2.940 1.00 41.60 C ATOM 423 O VAL A 44 27.686 26.729 -1.929 1.00 41.41 O ATOM 424 CB VAL A 44 26.778 23.786 -2.452 1.00 38.13 C ATOM 425 CG1 VAL A 44 25.666 24.048 -3.469 1.00 36.86 C ATOM 426 CG2 VAL A 44 27.059 22.293 -2.348 1.00 37.78 C ATOM 427 H VAL A 44 28.824 24.002 -0.861 1.00 0.00 H ATOM 428 N THR A 45 27.585 26.521 -4.171 1.00 42.32 N ATOM 429 CA THR A 45 27.307 27.934 -4.433 1.00 43.05 C ATOM 430 C THR A 45 26.128 28.096 -5.391 1.00 41.84 C ATOM 431 O THR A 45 26.018 27.381 -6.390 1.00 41.89 O ATOM 432 CB THR A 45 28.543 28.679 -4.995 1.00 46.33 C ATOM 433 OG1 THR A 45 28.868 28.186 -6.298 1.00 47.70 O ATOM 434 CG2 THR A 45 29.750 28.506 -4.077 1.00 47.99 C ATOM 435 HG1 THR A 45 28.099 28.329 -6.905 1.00 0.00 H ATOM 436 H THR A 45 27.648 25.867 -4.977 1.00 0.00 H ATOM 437 N PHE A 46 25.249 29.038 -5.060 1.00 40.97 N ATOM 438 CA PHE A 46 24.119 29.405 -5.903 1.00 40.28 C ATOM 439 C PHE A 46 24.388 30.765 -6.525 1.00 42.74 C ATOM 440 O PHE A 46 24.707 31.722 -5.815 1.00 43.43 O ATOM 441 CB PHE A 46 22.829 29.447 -5.091 1.00 37.48 C ATOM 442 CG PHE A 46 22.330 28.093 -4.688 1.00 35.31 C ATOM 443 CD1 PHE A 46 21.459 27.388 -5.511 1.00 34.22 C ATOM 444 CD2 PHE A 46 22.734 27.517 -3.491 1.00 34.67 C ATOM 445 CE1 PHE A 46 20.988 26.135 -5.143 1.00 32.52 C ATOM 446 CE2 PHE A 46 22.276 26.257 -3.117 1.00 33.01 C ATOM 447 CZ PHE A 46 21.399 25.565 -3.946 1.00 31.87 C ATOM 448 H PHE A 46 25.375 29.536 -4.156 1.00 0.00 H ATOM 449 N LEU A 47 24.254 30.834 -7.848 1.00 44.39 N ATOM 450 CA LEU A 47 24.524 32.041 -8.616 1.00 47.04 C ATOM 451 C LEU A 47 23.286 32.395 -9.425 1.00 46.64 C ATOM 452 O LEU A 47 22.589 31.508 -9.911 1.00 45.60 O ATOM 453 CB LEU A 47 25.713 31.806 -9.558 1.00 50.06 C ATOM 454 CG LEU A 47 26.242 33.041 -10.306 1.00 53.02 C ATOM 455 CD1 LEU A 47 27.330 33.749 -9.510 1.00 54.74 C ATOM 456 CD2 LEU A 47 26.751 32.676 -11.692 1.00 55.58 C ATOM 457 H LEU A 47 23.941 29.983 -8.358 1.00 0.00 H ATOM 458 N GLU A 48 23.013 33.693 -9.561 1.00 47.85 N ATOM 459 CA GLU A 48 21.979 34.160 -10.476 1.00 48.09 C ATOM 460 C GLU A 48 22.320 33.694 -11.867 1.00 50.25 C ATOM 461 O GLU A 48 23.461 33.834 -12.323 1.00 52.77 O ATOM 462 CB GLU A 48 21.900 35.677 -10.519 1.00 49.49 C ATOM 463 CG GLU A 48 21.347 36.315 -9.268 1.00 47.92 C ATOM 464 CD GLU A 48 20.972 37.758 -9.519 1.00 49.24 C ATOM 465 OE1 GLU A 48 19.942 37.991 -10.188 1.00 48.97 O ATOM 466 OE2 GLU A 48 21.718 38.655 -9.070 1.00 50.79 O ATOM 467 H GLU A 48 23.549 34.387 -9.002 1.00 0.00 H ATOM 468 N ARG A 49 21.324 33.154 -12.544 1.00 49.48 N ATOM 469 CA ARG A 49 21.542 32.607 -13.856 1.00 51.46 C ATOM 470 C ARG A 49 21.765 33.709 -14.872 1.00 54.25 C ATOM 471 O ARG A 49 20.941 34.610 -14.982 1.00 54.01 O ATOM 472 CB ARG A 49 20.342 31.776 -14.259 1.00 50.06 C ATOM 473 CG ARG A 49 20.628 30.913 -15.458 1.00 52.03 C ATOM 474 CD ARG A 49 19.825 31.385 -16.638 1.00 53.71 C ATOM 475 NE ARG A 49 20.183 30.612 -17.817 1.00 56.16 N ATOM 476 CZ ARG A 49 19.431 30.489 -18.905 1.00 57.53 C ATOM 477 NH1 ARG A 49 19.869 29.745 -19.913 1.00 59.83 N ATOM 478 NH2 ARG A 49 18.242 31.083 -18.995 1.00 56.86 N ATOM 479 HE ARG A 49 21.098 30.118 -17.807 1.00 0.00 H ATOM 480 HH12 ARG A 49 19.291 29.640 -20.771 1.00 0.00 H ATOM 481 HH11 ARG A 49 20.790 29.267 -19.845 1.00 0.00 H ATOM 482 HH22 ARG A 49 17.670 30.973 -19.856 1.00 0.00 H ATOM 483 HH21 ARG A 49 17.886 31.657 -18.204 1.00 0.00 H ATOM 484 H ARG A 49 20.373 33.124 -12.125 1.00 0.00 H ATOM 485 N THR A 50 22.881 33.631 -15.599 1.00 57.13 N ATOM 486 CA THR A 50 23.167 34.554 -16.695 1.00 60.43 C ATOM 487 C THR A 50 22.894 33.830 -18.016 1.00 62.00 C ATOM 488 O THR A 50 21.830 34.021 -18.613 1.00 61.79 O ATOM 489 CB THR A 50 24.614 35.096 -16.629 1.00 63.14 C ATOM 490 OG1 THR A 50 25.537 34.000 -16.595 1.00 63.73 O ATOM 491 CG2 THR A 50 24.807 35.964 -15.386 1.00 61.90 C ATOM 492 HG1 THR A 50 25.427 33.452 -17.412 1.00 0.00 H ATOM 493 H THR A 50 23.572 32.886 -15.378 1.00 0.00 H ATOM 494 N ASP A 51 23.831 32.980 -18.443 1.00 63.58 N ATOM 495 CA ASP A 51 23.708 32.232 -19.700 1.00 65.56 C ATOM 496 C ASP A 51 24.045 30.736 -19.545 1.00 64.51 C ATOM 497 O ASP A 51 24.461 30.091 -20.514 1.00 67.11 O ATOM 498 CB ASP A 51 24.577 32.887 -20.793 1.00 70.13 C ATOM 499 CG ASP A 51 26.073 32.775 -20.517 1.00 72.16 C ATOM 500 OD1 ASP A 51 26.474 32.680 -19.336 1.00 70.25 O ATOM 501 OD2 ASP A 51 26.851 32.785 -21.493 1.00 76.05 O ATOM 502 H ASP A 51 24.682 32.842 -17.862 1.00 0.00 H ATOM 503 N GLU A 52 23.848 30.182 -18.346 1.00 60.91 N ATOM 504 CA GLU A 52 24.114 28.759 -18.111 1.00 59.78 C ATOM 505 C GLU A 52 22.975 27.942 -18.705 1.00 58.67 C ATOM 506 O GLU A 52 21.816 28.336 -18.609 1.00 57.07 O ATOM 507 CB GLU A 52 24.263 28.442 -16.619 1.00 56.71 C ATOM 508 CG GLU A 52 25.489 29.061 -15.954 1.00 57.85 C ATOM 509 CD GLU A 52 25.222 30.420 -15.332 1.00 57.13 C ATOM 510 OE1 GLU A 52 24.362 31.167 -15.843 1.00 57.16 O ATOM 511 OE2 GLU A 52 25.885 30.748 -14.328 1.00 56.74 O ATOM 512 H GLU A 52 23.499 30.771 -17.563 1.00 0.00 H ATOM 513 N ASP A 53 23.310 26.814 -19.324 1.00 59.86 N ATOM 514 CA ASP A 53 22.312 25.937 -19.941 1.00 59.34 C ATOM 515 C ASP A 53 21.495 25.164 -18.892 1.00 55.21 C ATOM 516 O ASP A 53 20.296 24.929 -19.083 1.00 53.94 O ATOM 517 CB ASP A 53 22.999 24.957 -20.900 1.00 62.46 C ATOM 518 CG ASP A 53 22.013 24.105 -21.686 1.00 62.88 C ATOM 519 OD1 ASP A 53 20.870 24.562 -21.930 1.00 62.41 O ATOM 520 OD2 ASP A 53 22.390 22.976 -22.069 1.00 64.18 O ATOM 521 H ASP A 53 24.314 26.545 -19.372 1.00 0.00 H ATOM 522 N SER A 54 22.149 24.761 -17.802 1.00 53.22 N ATOM 523 CA SER A 54 21.503 24.014 -16.726 1.00 49.45 C ATOM 524 C SER A 54 21.358 24.872 -15.482 1.00 46.97 C ATOM 525 O SER A 54 22.336 25.441 -15.007 1.00 47.73 O ATOM 526 CB SER A 54 22.323 22.786 -16.385 1.00 49.39 C ATOM 527 OG SER A 54 22.467 21.972 -17.526 1.00 51.68 O ATOM 528 HG SER A 54 23.003 21.173 -17.294 1.00 0.00 H ATOM 529 H SER A 54 23.160 24.988 -17.715 1.00 0.00 H ATOM 530 N TYR A 55 20.138 24.938 -14.952 1.00 44.08 N ATOM 531 CA TYR A 55 19.822 25.794 -13.805 1.00 41.81 C ATOM 532 C TYR A 55 18.461 25.432 -13.225 1.00 38.79 C ATOM 533 O TYR A 55 17.651 24.777 -13.881 1.00 38.72 O ATOM 534 CB TYR A 55 19.838 27.276 -14.214 1.00 43.38 C ATOM 535 CG TYR A 55 18.871 27.634 -15.330 1.00 44.45 C ATOM 536 CD1 TYR A 55 19.127 27.268 -16.653 1.00 47.10 C ATOM 537 CD2 TYR A 55 17.706 28.358 -15.067 1.00 43.25 C ATOM 538 CE1 TYR A 55 18.250 27.599 -17.677 1.00 48.39 C ATOM 539 CE2 TYR A 55 16.821 28.691 -16.085 1.00 44.48 C ATOM 540 CZ TYR A 55 17.103 28.318 -17.388 1.00 47.09 C ATOM 541 OH TYR A 55 16.230 28.641 -18.398 1.00 48.57 O ATOM 542 HH TYR A 55 16.583 28.301 -19.259 1.00 0.00 H ATOM 543 H TYR A 55 19.380 24.360 -15.368 1.00 0.00 H ATOM 544 N ILE A 56 18.215 25.879 -11.998 1.00 36.48 N ATOM 545 CA ILE A 56 16.944 25.608 -11.312 1.00 33.84 C ATOM 546 C ILE A 56 15.992 26.787 -11.436 1.00 33.66 C ATOM 547 O ILE A 56 16.436 27.938 -11.506 1.00 34.81 O ATOM 548 CB ILE A 56 17.139 25.218 -9.830 1.00 31.73 C ATOM 549 CG1 ILE A 56 17.888 26.304 -9.038 1.00 31.97 C ATOM 550 CG2 ILE A 56 17.871 23.885 -9.758 1.00 31.74 C ATOM 551 CD1 ILE A 56 17.846 26.133 -7.539 1.00 30.19 C ATOM 552 H ILE A 56 18.944 26.437 -11.509 1.00 0.00 H ATOM 553 N VAL A 57 14.693 26.491 -11.479 1.00 32.37 N ATOM 554 CA VAL A 57 13.657 27.522 -11.563 1.00 32.34 C ATOM 555 C VAL A 57 12.658 27.355 -10.424 1.00 30.09 C ATOM 556 O VAL A 57 11.898 26.386 -10.405 1.00 29.14 O ATOM 557 CB VAL A 57 12.902 27.491 -12.909 1.00 33.89 C ATOM 558 CG1 VAL A 57 11.917 28.653 -12.999 1.00 34.21 C ATOM 559 CG2 VAL A 57 13.882 27.561 -14.071 1.00 36.32 C ATOM 560 H VAL A 57 14.405 25.492 -11.452 1.00 0.00 H ATOM 561 N PHE A 58 12.661 28.310 -9.492 1.00 29.35 N ATOM 562 CA PHE A 58 11.652 28.372 -8.442 1.00 27.74 C ATOM 563 C PHE A 58 10.362 28.784 -9.133 1.00 28.69 C ATOM 564 O PHE A 58 10.271 29.902 -9.640 1.00 29.85 O ATOM 565 CB PHE A 58 12.021 29.391 -7.358 1.00 27.08 C ATOM 566 CG PHE A 58 13.249 29.029 -6.562 1.00 26.46 C ATOM 567 CD1 PHE A 58 14.520 29.383 -7.007 1.00 27.75 C ATOM 568 CD2 PHE A 58 13.132 28.364 -5.346 1.00 24.81 C ATOM 569 CE1 PHE A 58 15.648 29.060 -6.271 1.00 27.65 C ATOM 570 CE2 PHE A 58 14.255 28.042 -4.605 1.00 24.71 C ATOM 571 CZ PHE A 58 15.518 28.391 -5.067 1.00 26.16 C ATOM 572 H PHE A 58 13.408 29.034 -9.516 1.00 0.00 H ATOM 573 N THR A 59 9.392 27.874 -9.169 1.00 28.63 N ATOM 574 CA THR A 59 8.176 28.014 -9.972 1.00 30.25 C ATOM 575 C THR A 59 6.956 28.040 -9.070 1.00 30.15 C ATOM 576 O THR A 59 6.744 27.109 -8.290 1.00 29.00 O ATOM 577 CB THR A 59 8.045 26.831 -10.950 1.00 30.68 C ATOM 578 OG1 THR A 59 9.224 26.758 -11.759 1.00 31.84 O ATOM 579 CG2 THR A 59 6.821 26.979 -11.854 1.00 31.87 C ATOM 580 HG1 THR A 59 10.014 26.624 -11.178 1.00 0.00 H ATOM 581 H THR A 59 9.504 27.015 -8.594 1.00 0.00 H ATOM 582 N TYR A 60 6.155 29.100 -9.183 1.00 32.47 N ATOM 583 CA TYR A 60 4.918 29.239 -8.401 1.00 33.14 C ATOM 584 C TYR A 60 3.868 28.270 -8.927 1.00 34.27 C ATOM 585 O TYR A 60 3.356 28.443 -10.031 1.00 35.59 O ATOM 586 CB TYR A 60 4.366 30.670 -8.450 1.00 34.66 C ATOM 587 CG TYR A 60 3.129 30.855 -7.586 1.00 34.81 C ATOM 588 CD1 TYR A 60 3.178 30.595 -6.212 1.00 33.83 C ATOM 589 CD2 TYR A 60 1.912 31.273 -8.136 1.00 36.42 C ATOM 590 CE1 TYR A 60 2.059 30.747 -5.410 1.00 34.10 C ATOM 591 CE2 TYR A 60 0.785 31.430 -7.339 1.00 36.64 C ATOM 592 CZ TYR A 60 0.868 31.167 -5.978 1.00 35.44 C ATOM 593 OH TYR A 60 -0.232 31.326 -5.172 1.00 36.08 O ATOM 594 HH TYR A 60 0.008 31.096 -4.239 1.00 0.00 H ATOM 595 H TYR A 60 6.415 29.856 -9.848 1.00 0.00 H ATOM 596 N ARG A 61 3.535 27.273 -8.112 1.00 34.18 N ATOM 597 CA ARG A 61 2.897 26.054 -8.598 1.00 35.37 C ATOM 598 C ARG A 61 2.476 25.196 -7.388 1.00 34.27 C ATOM 599 O ARG A 61 3.137 25.251 -6.343 1.00 33.09 O ATOM 600 CB ARG A 61 3.931 25.305 -9.454 1.00 36.32 C ATOM 601 CG ARG A 61 3.446 24.165 -10.327 1.00 37.87 C ATOM 602 CD ARG A 61 4.470 23.885 -11.432 1.00 39.54 C ATOM 603 NE ARG A 61 4.759 22.461 -11.617 1.00 40.09 N ATOM 604 CZ ARG A 61 5.748 21.968 -12.374 1.00 41.53 C ATOM 605 NH1 ARG A 61 6.585 22.772 -13.043 1.00 42.85 N ATOM 606 NH2 ARG A 61 5.907 20.647 -12.463 1.00 41.48 N ATOM 607 HE ARG A 61 4.149 21.780 -11.122 1.00 0.00 H ATOM 608 HH12 ARG A 61 7.345 22.364 -13.624 1.00 0.00 H ATOM 609 HH11 ARG A 61 6.475 23.804 -12.981 1.00 0.00 H ATOM 610 HH22 ARG A 61 6.672 20.254 -13.048 1.00 0.00 H ATOM 611 HH21 ARG A 61 5.266 20.010 -11.947 1.00 0.00 H ATOM 612 H ARG A 61 3.736 27.365 -7.096 1.00 0.00 H ATOM 613 N PRO A 62 1.377 24.422 -7.508 1.00 34.64 N ATOM 614 CA PRO A 62 1.006 23.456 -6.467 1.00 33.54 C ATOM 615 C PRO A 62 2.166 22.551 -6.026 1.00 32.15 C ATOM 616 O PRO A 62 2.983 22.152 -6.855 1.00 32.30 O ATOM 617 CB PRO A 62 -0.075 22.625 -7.147 1.00 34.62 C ATOM 618 CG PRO A 62 -0.739 23.585 -8.072 1.00 36.39 C ATOM 619 CD PRO A 62 0.325 24.545 -8.534 1.00 36.39 C ATOM 620 N CYS A 63 2.238 22.262 -4.729 1.00 30.91 N ATOM 621 CA CYS A 63 3.284 21.402 -4.172 1.00 30.05 C ATOM 622 C CYS A 63 3.109 19.969 -4.659 1.00 30.60 C ATOM 623 O CYS A 63 1.987 19.527 -4.859 1.00 31.66 O ATOM 624 CB CYS A 63 3.237 21.416 -2.640 1.00 28.56 C ATOM 625 SG CYS A 63 3.306 23.069 -1.903 1.00 28.26 S ATOM 626 H CYS A 63 1.524 22.662 -4.087 1.00 0.00 H ATOM 627 N GLY A 64 4.221 19.262 -4.859 1.00 30.90 N ATOM 628 CA GLY A 64 4.193 17.840 -5.225 1.00 31.48 C ATOM 629 C GLY A 64 5.251 17.443 -6.240 1.00 32.41 C ATOM 630 O GLY A 64 6.405 17.881 -6.156 1.00 32.34 O ATOM 631 H GLY A 64 5.141 19.734 -4.752 1.00 0.00 H ATOM 632 N CYS A 65 4.848 16.618 -7.208 1.00 33.33 N ATOM 633 CA CYS A 65 5.774 16.013 -8.168 1.00 33.98 C ATOM 634 C CYS A 65 6.286 17.027 -9.205 1.00 35.26 C ATOM 635 O CYS A 65 5.469 17.750 -9.786 1.00 36.44 O ATOM 636 CB CYS A 65 5.084 14.869 -8.915 1.00 35.05 C ATOM 637 SG CYS A 65 6.123 14.046 -10.149 1.00 36.52 S ATOM 638 H CYS A 65 3.835 16.395 -7.284 1.00 0.00 H ATOM 639 N CYS A 66 7.596 17.093 -9.483 1.00 34.95 N ATOM 640 CA CYS A 66 8.666 16.312 -8.836 1.00 33.60 C ATOM 641 C CYS A 66 9.959 17.117 -8.832 1.00 32.66 C ATOM 642 O CYS A 66 10.206 17.918 -9.739 1.00 33.71 O ATOM 643 CB CYS A 66 8.919 14.980 -9.562 1.00 34.94 C ATOM 644 SG CYS A 66 7.825 13.612 -9.110 1.00 35.15 S ATOM 645 H CYS A 66 7.885 17.760 -10.227 1.00 0.00 H ATOM 646 N SER A 67 10.783 16.882 -7.815 1.00 30.30 N ATOM 647 CA SER A 67 12.048 17.593 -7.658 1.00 29.76 C ATOM 648 C SER A 67 13.185 16.702 -8.124 1.00 29.53 C ATOM 649 O SER A 67 13.530 15.717 -7.462 1.00 28.78 O ATOM 650 CB SER A 67 12.249 17.998 -6.206 1.00 28.44 C ATOM 651 OG SER A 67 11.207 18.861 -5.798 1.00 28.23 O ATOM 652 HG SER A 67 11.345 19.120 -4.852 1.00 0.00 H ATOM 653 H SER A 67 10.517 16.167 -7.108 1.00 0.00 H ATOM 654 N TYR A 68 13.752 17.029 -9.277 1.00 29.90 N ATOM 655 CA TYR A 68 14.840 16.239 -9.825 1.00 30.42 C ATOM 656 C TYR A 68 16.010 16.201 -8.841 1.00 29.42 C ATOM 657 O TYR A 68 16.367 17.227 -8.252 1.00 28.91 O ATOM 658 CB TYR A 68 15.292 16.792 -11.177 1.00 32.51 C ATOM 659 CG TYR A 68 16.178 15.834 -11.928 1.00 33.97 C ATOM 660 CD1 TYR A 68 17.562 15.877 -11.773 1.00 34.90 C ATOM 661 CD2 TYR A 68 15.635 14.871 -12.779 1.00 34.64 C ATOM 662 CE1 TYR A 68 18.387 14.995 -12.449 1.00 36.52 C ATOM 663 CE2 TYR A 68 16.450 13.986 -13.466 1.00 36.32 C ATOM 664 CZ TYR A 68 17.827 14.051 -13.296 1.00 37.26 C ATOM 665 OH TYR A 68 18.652 13.181 -13.970 1.00 39.22 O ATOM 666 HH TYR A 68 19.594 13.369 -13.731 1.00 0.00 H ATOM 667 H TYR A 68 13.412 17.864 -9.796 1.00 0.00 H ATOM 668 N VAL A 69 16.579 15.011 -8.650 1.00 28.77 N ATOM 669 CA VAL A 69 17.710 14.849 -7.747 1.00 28.46 C ATOM 670 C VAL A 69 19.003 15.142 -8.511 1.00 30.54 C ATOM 671 O VAL A 69 19.362 14.424 -9.448 1.00 32.00 O ATOM 672 CB VAL A 69 17.726 13.456 -7.084 1.00 27.39 C ATOM 673 CG1 VAL A 69 18.996 13.252 -6.268 1.00 27.76 C ATOM 674 CG2 VAL A 69 16.508 13.302 -6.190 1.00 25.41 C ATOM 675 H VAL A 69 16.208 14.182 -9.156 1.00 0.00 H ATOM 676 N GLY A 70 19.699 16.200 -8.102 1.00 30.95 N ATOM 677 CA GLY A 70 20.933 16.609 -8.758 1.00 33.12 C ATOM 678 C GLY A 70 20.689 17.459 -9.998 1.00 34.67 C ATOM 679 O GLY A 70 19.626 18.065 -10.158 1.00 33.88 O ATOM 680 H GLY A 70 19.352 16.750 -7.291 1.00 0.00 H ATOM 681 N ARG A 71 21.698 17.488 -10.868 1.00 36.97 N ATOM 682 CA ARG A 71 21.696 18.251 -12.119 1.00 38.97 C ATOM 683 C ARG A 71 21.139 17.377 -13.227 1.00 39.62 C ATOM 684 O ARG A 71 21.751 16.366 -13.579 1.00 40.71 O ATOM 685 CB ARG A 71 23.135 18.645 -12.463 1.00 41.64 C ATOM 686 CG ARG A 71 23.307 19.595 -13.641 1.00 44.28 C ATOM 687 CD ARG A 71 24.770 20.002 -13.746 1.00 46.86 C ATOM 688 NE ARG A 71 25.027 21.040 -14.740 1.00 49.56 N ATOM 689 CZ ARG A 71 25.111 20.848 -16.057 1.00 52.12 C ATOM 690 NH1 ARG A 71 24.930 19.640 -16.597 1.00 52.52 N ATOM 691 NH2 ARG A 71 25.362 21.887 -16.850 1.00 54.49 N ATOM 692 HE ARG A 71 25.155 22.011 -14.391 1.00 0.00 H ATOM 693 HH12 ARG A 71 25.000 19.515 -17.627 1.00 0.00 H ATOM 694 HH11 ARG A 71 24.719 18.824 -15.987 1.00 0.00 H ATOM 695 HH22 ARG A 71 25.430 21.751 -17.879 1.00 0.00 H ATOM 696 HH21 ARG A 71 25.490 22.835 -16.441 1.00 0.00 H ATOM 697 H ARG A 71 22.546 16.930 -10.643 1.00 0.00 H ATOM 698 N ARG A 72 19.982 17.747 -13.769 1.00 39.03 N ATOM 699 CA ARG A 72 19.417 17.000 -14.884 1.00 40.15 C ATOM 700 C ARG A 72 20.248 17.228 -16.144 1.00 43.52 C ATOM 701 O ARG A 72 20.563 16.278 -16.861 1.00 45.02 O ATOM 702 CB ARG A 72 17.952 17.365 -15.127 1.00 39.19 C ATOM 703 CG ARG A 72 17.355 16.596 -16.299 1.00 40.86 C ATOM 704 CD ARG A 72 15.854 16.457 -16.180 1.00 39.46 C ATOM 705 NE ARG A 72 15.187 17.752 -16.260 1.00 39.40 N ATOM 706 CZ ARG A 72 13.881 17.950 -16.083 1.00 38.39 C ATOM 707 NH1 ARG A 72 13.063 16.934 -15.800 1.00 37.35 N ATOM 708 NH2 ARG A 72 13.383 19.183 -16.179 1.00 38.59 N ATOM 709 HE ARG A 72 15.775 18.583 -16.471 1.00 0.00 H ATOM 710 HH12 ARG A 72 12.046 17.107 -15.665 1.00 0.00 H ATOM 711 HH11 ARG A 72 13.442 15.969 -15.714 1.00 0.00 H ATOM 712 HH22 ARG A 72 12.365 19.345 -16.042 1.00 0.00 H ATOM 713 HH21 ARG A 72 14.013 19.983 -16.391 1.00 0.00 H ATOM 714 H ARG A 72 19.477 18.575 -13.394 1.00 0.00 H ATOM 715 N GLY A 73 20.608 18.485 -16.396 1.00 44.71 N ATOM 716 CA GLY A 73 21.436 18.832 -17.550 1.00 48.35 C ATOM 717 C GLY A 73 20.609 19.058 -18.802 1.00 50.14 C ATOM 718 O GLY A 73 19.486 18.563 -18.921 1.00 49.07 O ATOM 719 H GLY A 73 20.292 19.240 -15.755 1.00 0.00 H ATOM 720 N GLY A 74 21.175 19.813 -19.739 1.00 53.39 N ATOM 721 CA GLY A 74 20.519 20.113 -21.013 1.00 55.67 C ATOM 722 C GLY A 74 19.266 20.975 -20.919 1.00 54.30 C ATOM 723 O GLY A 74 18.410 20.905 -21.805 1.00 55.69 O ATOM 724 H GLY A 74 22.121 20.206 -19.560 1.00 0.00 H ATOM 725 N GLY A 75 19.154 21.786 -19.862 1.00 51.85 N ATOM 726 CA GLY A 75 18.035 22.723 -19.714 1.00 50.63 C ATOM 727 C GLY A 75 17.665 23.035 -18.271 1.00 47.24 C ATOM 728 O GLY A 75 18.302 22.533 -17.341 1.00 45.71 O ATOM 729 H GLY A 75 19.883 21.751 -19.121 1.00 0.00 H ATOM 730 N PRO A 76 16.629 23.879 -18.074 1.00 46.16 N ATOM 731 CA PRO A 76 16.141 24.166 -16.723 1.00 43.08 C ATOM 732 C PRO A 76 15.451 22.976 -16.056 1.00 40.69 C ATOM 733 O PRO A 76 14.977 22.071 -16.740 1.00 41.36 O ATOM 734 CB PRO A 76 15.129 25.302 -16.943 1.00 43.20 C ATOM 735 CG PRO A 76 14.710 25.179 -18.364 1.00 45.71 C ATOM 736 CD PRO A 76 15.918 24.672 -19.096 1.00 47.98 C ATOM 737 N GLN A 77 15.406 22.994 -14.726 1.00 38.21 N ATOM 738 CA GLN A 77 14.594 22.052 -13.946 1.00 35.83 C ATOM 739 C GLN A 77 13.815 22.837 -12.892 1.00 33.87 C ATOM 740 O GLN A 77 14.359 23.740 -12.256 1.00 33.57 O ATOM 741 CB GLN A 77 15.469 20.957 -13.321 1.00 35.08 C ATOM 742 CG GLN A 77 16.463 21.436 -12.274 1.00 34.37 C ATOM 743 CD GLN A 77 17.558 20.420 -11.996 1.00 34.60 C ATOM 744 OE1 GLN A 77 18.270 19.999 -12.907 1.00 36.41 O ATOM 745 NE2 GLN A 77 17.704 20.031 -10.727 1.00 32.75 N ATOM 746 HE22 GLN A 77 17.078 20.414 -9.990 1.00 0.00 H ATOM 747 HE21 GLN A 77 18.444 19.345 -10.475 1.00 0.00 H ATOM 748 H GLN A 77 15.970 23.705 -14.218 1.00 0.00 H ATOM 749 N ALA A 78 12.536 22.506 -12.728 1.00 32.78 N ATOM 750 CA ALA A 78 11.624 23.301 -11.900 1.00 31.45 C ATOM 751 C ALA A 78 11.580 22.828 -10.449 1.00 29.26 C ATOM 752 O ALA A 78 11.692 21.634 -10.180 1.00 28.67 O ATOM 753 CB ALA A 78 10.222 23.272 -12.489 1.00 31.86 C ATOM 754 H ALA A 78 12.172 21.655 -13.203 1.00 0.00 H ATOM 755 N ILE A 79 11.429 23.777 -9.523 1.00 28.34 N ATOM 756 CA ILE A 79 11.079 23.486 -8.127 1.00 26.41 C ATOM 757 C ILE A 79 9.690 24.071 -7.907 1.00 26.03 C ATOM 758 O ILE A 79 9.506 25.290 -8.014 1.00 26.49 O ATOM 759 CB ILE A 79 12.069 24.100 -7.111 1.00 26.01 C ATOM 760 CG1 ILE A 79 13.505 23.687 -7.440 1.00 26.81 C ATOM 761 CG2 ILE A 79 11.728 23.642 -5.691 1.00 24.45 C ATOM 762 CD1 ILE A 79 14.542 24.281 -6.510 1.00 26.94 C ATOM 763 H ILE A 79 11.566 24.769 -9.803 1.00 0.00 H ATOM 764 N SER A 80 8.726 23.198 -7.607 1.00 25.14 N ATOM 765 CA SER A 80 7.343 23.601 -7.357 1.00 25.04 C ATOM 766 C SER A 80 7.191 24.127 -5.933 1.00 23.99 C ATOM 767 O SER A 80 7.289 23.363 -4.979 1.00 23.04 O ATOM 768 CB SER A 80 6.384 22.422 -7.561 1.00 24.92 C ATOM 769 OG SER A 80 6.306 22.059 -8.921 1.00 26.28 O ATOM 770 HG SER A 80 5.682 21.298 -9.023 1.00 0.00 H ATOM 771 H SER A 80 8.969 22.188 -7.549 1.00 0.00 H ATOM 772 N ILE A 81 6.964 25.433 -5.797 1.00 24.51 N ATOM 773 CA ILE A 81 6.700 26.044 -4.492 1.00 23.84 C ATOM 774 C ILE A 81 5.299 26.630 -4.504 1.00 24.56 C ATOM 775 O ILE A 81 5.003 27.542 -5.278 1.00 25.45 O ATOM 776 CB ILE A 81 7.707 27.156 -4.140 1.00 23.91 C ATOM 777 CG1 ILE A 81 9.155 26.651 -4.250 1.00 23.73 C ATOM 778 CG2 ILE A 81 7.417 27.708 -2.745 1.00 23.40 C ATOM 779 CD1 ILE A 81 9.556 25.582 -3.257 1.00 22.70 C ATOM 780 H ILE A 81 6.975 26.037 -6.643 1.00 0.00 H ATOM 781 N GLY A 82 4.449 26.092 -3.635 1.00 24.45 N ATOM 782 CA GLY A 82 3.071 26.546 -3.478 1.00 25.46 C ATOM 783 C GLY A 82 2.807 26.986 -2.052 1.00 25.74 C ATOM 784 O GLY A 82 3.719 26.997 -1.206 1.00 24.96 O ATOM 785 H GLY A 82 4.783 25.309 -3.037 1.00 0.00 H ATOM 786 N LYS A 83 1.546 27.343 -1.804 1.00 27.03 N ATOM 787 CA LYS A 83 1.056 27.825 -0.506 1.00 27.60 C ATOM 788 C LYS A 83 1.614 27.034 0.675 1.00 26.92 C ATOM 789 O LYS A 83 2.125 27.621 1.629 1.00 27.33 O ATOM 790 CB LYS A 83 -0.480 27.775 -0.475 1.00 28.53 C ATOM 791 H LYS A 83 0.862 27.275 -2.584 1.00 0.00 H ATOM 792 N ASN A 84 1.562 25.709 0.574 1.00 26.43 N ATOM 793 CA ASN A 84 1.890 24.819 1.689 1.00 26.01 C ATOM 794 C ASN A 84 3.302 24.218 1.698 1.00 24.66 C ATOM 795 O ASN A 84 3.557 23.303 2.460 1.00 24.63 O ATOM 796 CB ASN A 84 0.858 23.688 1.719 1.00 26.54 C ATOM 797 CG ASN A 84 -0.557 24.210 1.809 1.00 27.93 C ATOM 798 OD1 ASN A 84 -0.881 24.987 2.704 1.00 28.96 O ATOM 799 ND2 ASN A 84 -1.403 23.799 0.875 1.00 28.81 N ATOM 800 HD22 ASN A 84 -1.083 23.140 0.137 1.00 0.00 H ATOM 801 HD21 ASN A 84 -2.387 24.135 0.880 1.00 0.00 H ATOM 802 H ASN A 84 1.277 25.288 -0.333 1.00 0.00 H ATOM 803 N CYS A 85 4.218 24.716 0.873 1.00 24.21 N ATOM 804 CA CYS A 85 5.602 24.212 0.878 1.00 23.10 C ATOM 805 C CYS A 85 6.593 25.327 0.567 1.00 22.29 C ATOM 806 O CYS A 85 7.578 25.122 -0.148 1.00 22.32 O ATOM 807 CB CYS A 85 5.743 23.045 -0.108 1.00 23.67 C ATOM 808 SG CYS A 85 5.302 23.444 -1.809 1.00 25.74 S ATOM 809 H CYS A 85 3.953 25.474 0.213 1.00 0.00 H ATOM 810 N ASP A 86 6.336 26.504 1.133 1.00 21.52 N ATOM 811 CA ASP A 86 7.152 27.688 0.874 1.00 21.30 C ATOM 812 C ASP A 86 7.987 28.135 2.073 1.00 20.65 C ATOM 813 O ASP A 86 8.732 29.119 1.964 1.00 21.11 O ATOM 814 CB ASP A 86 6.270 28.839 0.385 1.00 22.21 C ATOM 815 CG ASP A 86 5.342 29.391 1.463 1.00 22.80 C ATOM 816 OD1 ASP A 86 5.069 28.711 2.481 1.00 22.66 O ATOM 817 OD2 ASP A 86 4.868 30.523 1.275 1.00 23.73 O ATOM 818 H ASP A 86 5.527 26.584 1.782 1.00 0.00 H ATOM 819 N LYS A 87 7.871 27.433 3.206 1.00 19.42 N ATOM 820 CA LYS A 87 8.646 27.789 4.398 1.00 19.35 C ATOM 821 C LYS A 87 10.107 27.402 4.199 1.00 18.68 C ATOM 822 O LYS A 87 10.415 26.460 3.466 1.00 17.73 O ATOM 823 CB LYS A 87 8.073 27.130 5.654 1.00 19.37 C ATOM 824 CG LYS A 87 6.649 27.584 5.971 1.00 19.96 C ATOM 825 H LYS A 87 7.221 26.622 3.241 1.00 0.00 H ATOM 826 N PHE A 88 10.985 28.154 4.860 1.00 18.98 N ATOM 827 CA PHE A 88 12.434 28.014 4.748 1.00 19.01 C ATOM 828 C PHE A 88 12.906 26.552 4.723 1.00 17.99 C ATOM 829 O PHE A 88 13.560 26.134 3.774 1.00 17.69 O ATOM 830 CB PHE A 88 13.102 28.800 5.893 1.00 20.22 C ATOM 831 CG PHE A 88 14.570 28.556 6.040 1.00 20.92 C ATOM 832 CD1 PHE A 88 15.486 29.268 5.279 1.00 21.78 C ATOM 833 CD2 PHE A 88 15.047 27.633 6.964 1.00 21.01 C ATOM 834 CE1 PHE A 88 16.846 29.056 5.424 1.00 22.75 C ATOM 835 CE2 PHE A 88 16.411 27.419 7.111 1.00 21.94 C ATOM 836 CZ PHE A 88 17.310 28.128 6.340 1.00 22.81 C ATOM 837 H PHE A 88 10.615 28.888 5.497 1.00 0.00 H ATOM 838 N GLY A 89 12.567 25.792 5.761 1.00 17.39 N ATOM 839 CA GLY A 89 13.057 24.414 5.900 1.00 16.71 C ATOM 840 C GLY A 89 12.622 23.449 4.812 1.00 15.44 C ATOM 841 O GLY A 89 13.373 22.544 4.436 1.00 15.19 O ATOM 842 H GLY A 89 11.939 26.183 6.492 1.00 0.00 H ATOM 843 N ILE A 90 11.407 23.650 4.310 1.00 14.81 N ATOM 844 CA ILE A 90 10.885 22.884 3.177 1.00 14.01 C ATOM 845 C ILE A 90 11.689 23.224 1.917 1.00 14.17 C ATOM 846 O ILE A 90 12.042 22.321 1.147 1.00 13.97 O ATOM 847 CB ILE A 90 9.385 23.166 2.907 1.00 13.93 C ATOM 848 CG1 ILE A 90 8.504 22.953 4.159 1.00 14.04 C ATOM 849 CG2 ILE A 90 8.869 22.313 1.752 1.00 13.50 C ATOM 850 CD1 ILE A 90 8.740 21.658 4.904 1.00 13.71 C ATOM 851 H ILE A 90 10.804 24.380 4.739 1.00 0.00 H ATOM 852 N VAL A 91 11.970 24.512 1.709 1.00 14.65 N ATOM 853 CA VAL A 91 12.806 24.945 0.576 1.00 15.19 C ATOM 854 C VAL A 91 14.209 24.339 0.677 1.00 15.42 C ATOM 855 O VAL A 91 14.742 23.871 -0.322 1.00 15.72 O ATOM 856 CB VAL A 91 12.875 26.494 0.423 1.00 16.06 C ATOM 857 CG1 VAL A 91 13.772 26.892 -0.743 1.00 17.05 C ATOM 858 CG2 VAL A 91 11.489 27.071 0.185 1.00 15.85 C ATOM 859 H VAL A 91 11.590 25.227 2.362 1.00 0.00 H ATOM 860 N VAL A 92 14.784 24.326 1.883 1.00 15.52 N ATOM 861 CA VAL A 92 16.105 23.700 2.129 1.00 16.03 C ATOM 862 C VAL A 92 16.071 22.212 1.773 1.00 15.16 C ATOM 863 O VAL A 92 17.021 21.689 1.200 1.00 15.79 O ATOM 864 CB VAL A 92 16.574 23.889 3.600 1.00 16.55 C ATOM 865 CG1 VAL A 92 17.820 23.061 3.927 1.00 17.22 C ATOM 866 CG2 VAL A 92 16.861 25.361 3.881 1.00 17.66 C ATOM 867 H VAL A 92 14.286 24.772 2.679 1.00 0.00 H ATOM 868 N HIS A 93 14.982 21.541 2.129 1.00 13.97 N ATOM 869 CA HIS A 93 14.759 20.132 1.759 1.00 13.16 C ATOM 870 C HIS A 93 14.759 19.966 0.237 1.00 13.35 C ATOM 871 O HIS A 93 15.476 19.117 -0.296 1.00 13.55 O ATOM 872 CB HIS A 93 13.449 19.628 2.362 1.00 12.12 C ATOM 873 CG HIS A 93 13.045 18.269 1.893 1.00 11.46 C ATOM 874 ND1 HIS A 93 13.214 17.141 2.663 1.00 11.10 N ATOM 875 CD2 HIS A 93 12.470 17.857 0.735 1.00 11.18 C ATOM 876 CE1 HIS A 93 12.760 16.092 1.999 1.00 10.67 C ATOM 877 NE2 HIS A 93 12.310 16.497 0.826 1.00 10.71 N ATOM 878 H HIS A 93 14.257 22.030 2.692 1.00 0.00 H ATOM 879 N GLU A 94 13.983 20.804 -0.449 1.00 13.47 N ATOM 880 CA GLU A 94 13.915 20.766 -1.913 1.00 14.07 C ATOM 881 C GLU A 94 15.271 21.020 -2.566 1.00 15.35 C ATOM 882 O GLU A 94 15.614 20.374 -3.548 1.00 15.90 O ATOM 883 CB GLU A 94 12.902 21.787 -2.454 1.00 14.33 C ATOM 884 CG GLU A 94 11.457 21.488 -2.128 1.00 13.58 C ATOM 885 CD GLU A 94 11.040 20.105 -2.546 1.00 13.31 C ATOM 886 OE1 GLU A 94 11.453 19.640 -3.633 1.00 14.04 O ATOM 887 OE2 GLU A 94 10.301 19.473 -1.781 1.00 12.77 O ATOM 888 H GLU A 94 13.411 21.503 0.067 1.00 0.00 H ATOM 889 N LEU A 95 16.027 21.966 -2.014 1.00 16.02 N ATOM 890 CA LEU A 95 17.373 22.259 -2.495 1.00 17.51 C ATOM 891 C LEU A 95 18.334 21.113 -2.199 1.00 17.77 C ATOM 892 O LEU A 95 19.266 20.908 -2.954 1.00 18.97 O ATOM 893 CB LEU A 95 17.898 23.571 -1.901 1.00 18.34 C ATOM 894 CG LEU A 95 17.119 24.823 -2.335 1.00 18.48 C ATOM 895 CD1 LEU A 95 17.533 26.031 -1.494 1.00 19.18 C ATOM 896 CD2 LEU A 95 17.326 25.090 -3.819 1.00 19.62 C ATOM 897 H LEU A 95 15.647 22.513 -1.215 1.00 0.00 H ATOM 898 N GLY A 96 18.082 20.368 -1.116 1.00 16.78 N ATOM 899 CA GLY A 96 18.711 19.064 -0.891 1.00 16.86 C ATOM 900 C GLY A 96 18.579 18.113 -2.078 1.00 16.98 C ATOM 901 O GLY A 96 19.565 17.493 -2.486 1.00 18.01 O ATOM 902 H GLY A 96 17.413 20.729 -0.406 1.00 0.00 H ATOM 903 N HIS A 97 17.379 18.014 -2.648 1.00 16.18 N ATOM 904 CA HIS A 97 17.181 17.222 -3.857 1.00 16.56 C ATOM 905 C HIS A 97 18.041 17.782 -4.975 1.00 18.41 C ATOM 906 O HIS A 97 18.789 17.035 -5.623 1.00 19.52 O ATOM 907 CB HIS A 97 15.707 17.170 -4.289 1.00 15.66 C ATOM 908 CG HIS A 97 14.834 16.367 -3.376 1.00 14.26 C ATOM 909 ND1 HIS A 97 15.183 15.114 -2.919 1.00 13.96 N ATOM 910 CD2 HIS A 97 13.614 16.634 -2.846 1.00 13.28 C ATOM 911 CE1 HIS A 97 14.221 14.652 -2.140 1.00 12.85 C ATOM 912 NE2 HIS A 97 13.259 15.555 -2.078 1.00 12.41 N ATOM 913 H HIS A 97 16.569 18.510 -2.224 1.00 0.00 H ATOM 914 N VAL A 98 17.970 19.099 -5.163 1.00 18.97 N ATOM 915 CA VAL A 98 18.718 19.783 -6.216 1.00 20.92 C ATOM 916 C VAL A 98 20.221 19.496 -6.159 1.00 22.52 C ATOM 917 O VAL A 98 20.819 19.247 -7.199 1.00 24.21 O ATOM 918 CB VAL A 98 18.467 21.316 -6.195 1.00 21.22 C ATOM 919 CG1 VAL A 98 19.471 22.073 -7.068 1.00 23.43 C ATOM 920 CG2 VAL A 98 17.038 21.625 -6.631 1.00 20.38 C ATOM 921 H VAL A 98 17.359 19.662 -4.537 1.00 0.00 H ATOM 922 N VAL A 99 20.830 19.541 -4.970 1.00 22.38 N ATOM 923 CA VAL A 99 22.281 19.306 -4.863 1.00 24.20 C ATOM 924 C VAL A 99 22.656 17.829 -5.068 1.00 24.51 C ATOM 925 O VAL A 99 23.797 17.547 -5.413 1.00 26.28 O ATOM 926 CB VAL A 99 22.952 19.883 -3.571 1.00 24.41 C ATOM 927 CG1 VAL A 99 22.503 21.317 -3.283 1.00 24.20 C ATOM 928 CG2 VAL A 99 22.754 19.008 -2.352 1.00 23.08 C ATOM 929 H VAL A 99 20.276 19.743 -4.114 1.00 0.00 H ATOM 930 N GLY A 100 21.702 16.915 -4.846 1.00 22.96 N ATOM 931 CA GLY A 100 21.852 15.488 -5.189 1.00 23.24 C ATOM 932 C GLY A 100 21.484 14.472 -4.110 1.00 21.93 C ATOM 933 O GLY A 100 22.111 13.409 -4.017 1.00 22.45 O ATOM 934 H GLY A 100 20.811 17.227 -4.410 1.00 0.00 H ATOM 935 N PHE A 101 20.463 14.780 -3.308 1.00 20.44 N ATOM 936 CA PHE A 101 20.080 13.945 -2.178 1.00 19.44 C ATOM 937 C PHE A 101 18.705 13.327 -2.435 1.00 17.82 C ATOM 938 O PHE A 101 17.768 14.030 -2.829 1.00 17.24 O ATOM 939 CB PHE A 101 20.032 14.759 -0.880 1.00 19.35 C ATOM 940 CG PHE A 101 21.386 15.099 -0.313 1.00 21.27 C ATOM 941 CD1 PHE A 101 22.396 15.652 -1.102 1.00 23.21 C ATOM 942 CD2 PHE A 101 21.646 14.905 1.039 1.00 21.55 C ATOM 943 CE1 PHE A 101 23.636 15.957 -0.568 1.00 24.94 C ATOM 944 CE2 PHE A 101 22.886 15.223 1.577 1.00 23.23 C ATOM 945 CZ PHE A 101 23.880 15.749 0.774 1.00 24.87 C ATOM 946 H PHE A 101 19.921 15.648 -3.497 1.00 0.00 H ATOM 947 N TRP A 102 18.613 12.009 -2.246 1.00 17.17 N ATOM 948 CA TRP A 102 17.329 11.299 -2.189 1.00 15.80 C ATOM 949 C TRP A 102 16.806 11.389 -0.755 1.00 14.52 C ATOM 950 O TRP A 102 17.454 11.981 0.112 1.00 14.68 O ATOM 951 CB TRP A 102 17.496 9.824 -2.605 1.00 16.16 C ATOM 952 CG TRP A 102 18.014 9.689 -3.998 1.00 17.59 C ATOM 953 CD1 TRP A 102 19.327 9.639 -4.380 1.00 19.13 C ATOM 954 CD2 TRP A 102 17.245 9.663 -5.201 1.00 17.91 C ATOM 955 NE1 TRP A 102 19.419 9.556 -5.742 1.00 20.40 N ATOM 956 CE2 TRP A 102 18.159 9.578 -6.276 1.00 19.70 C ATOM 957 CE3 TRP A 102 15.876 9.690 -5.479 1.00 17.14 C ATOM 958 CZ2 TRP A 102 17.746 9.514 -7.607 1.00 20.72 C ATOM 959 CZ3 TRP A 102 15.467 9.618 -6.805 1.00 18.19 C ATOM 960 CH2 TRP A 102 16.399 9.540 -7.848 1.00 19.93 C ATOM 961 HE1 TRP A 102 20.304 9.487 -6.284 1.00 0.00 H ATOM 962 H TRP A 102 19.490 11.461 -2.134 1.00 0.00 H ATOM 963 N HIS A 103 15.630 10.829 -0.502 1.00 13.38 N ATOM 964 CA HIS A 103 15.129 10.766 0.875 1.00 12.59 C ATOM 965 C HIS A 103 15.939 9.755 1.668 1.00 12.78 C ATOM 966 O HIS A 103 16.234 8.667 1.164 1.00 13.02 O ATOM 967 CB HIS A 103 13.670 10.377 0.910 1.00 11.86 C ATOM 968 CG HIS A 103 12.757 11.438 0.401 1.00 11.72 C ATOM 969 ND1 HIS A 103 11.635 11.150 -0.339 1.00 11.65 N ATOM 970 CD2 HIS A 103 12.795 12.788 0.524 1.00 11.83 C ATOM 971 CE1 HIS A 103 11.013 12.275 -0.642 1.00 11.72 C ATOM 972 NE2 HIS A 103 11.701 13.284 -0.136 1.00 11.73 N ATOM 973 H HIS A 103 15.064 10.435 -1.280 1.00 0.00 H ATOM 974 N GLU A 104 16.290 10.122 2.896 1.00 12.82 N ATOM 975 CA GLU A 104 17.128 9.285 3.772 1.00 13.36 C ATOM 976 C GLU A 104 16.486 7.949 4.130 1.00 12.81 C ATOM 977 O GLU A 104 17.190 6.938 4.246 1.00 13.23 O ATOM 978 CB GLU A 104 17.460 10.052 5.060 1.00 13.88 C ATOM 979 CG GLU A 104 18.483 9.411 5.972 1.00 14.99 C ATOM 980 CD GLU A 104 19.899 9.455 5.433 1.00 16.24 C ATOM 981 OE1 GLU A 104 20.841 9.189 6.199 1.00 17.45 O ATOM 982 OE2 GLU A 104 20.085 9.741 4.245 1.00 16.43 O ATOM 983 H GLU A 104 15.959 11.040 3.254 1.00 0.00 H ATOM 984 N HIS A 105 15.157 7.934 4.292 1.00 11.92 N ATOM 985 CA HIS A 105 14.442 6.683 4.635 1.00 11.59 C ATOM 986 C HIS A 105 14.433 5.646 3.509 1.00 11.60 C ATOM 987 O HIS A 105 14.007 4.520 3.728 1.00 11.63 O ATOM 988 CB HIS A 105 13.005 6.968 5.082 1.00 11.01 C ATOM 989 CG HIS A 105 12.061 7.235 3.950 1.00 10.51 C ATOM 990 ND1 HIS A 105 11.946 8.473 3.355 1.00 10.34 N ATOM 991 CD2 HIS A 105 11.190 6.423 3.305 1.00 10.35 C ATOM 992 CE1 HIS A 105 11.054 8.408 2.381 1.00 10.21 C ATOM 993 NE2 HIS A 105 10.566 7.179 2.340 1.00 10.22 N ATOM 994 H HIS A 105 14.618 8.816 4.175 1.00 0.00 H ATOM 995 N THR A 106 14.855 6.028 2.306 1.00 11.80 N ATOM 996 CA THR A 106 14.955 5.087 1.183 1.00 12.17 C ATOM 997 C THR A 106 16.378 4.565 0.934 1.00 13.17 C ATOM 998 O THR A 106 16.600 3.895 -0.063 1.00 13.79 O ATOM 999 CB THR A 106 14.423 5.721 -0.126 1.00 12.14 C ATOM 1000 OG1 THR A 106 15.273 6.794 -0.525 1.00 12.65 O ATOM 1001 CG2 THR A 106 13.003 6.230 0.062 1.00 11.40 C ATOM 1002 HG1 THR A 106 15.292 7.481 0.187 1.00 0.00 H ATOM 1003 H THR A 106 15.122 7.022 2.157 1.00 0.00 H ATOM 1004 N ARG A 107 17.329 4.879 1.815 1.00 13.62 N ATOM 1005 CA ARG A 107 18.652 4.266 1.781 1.00 14.83 C ATOM 1006 C ARG A 107 18.540 2.743 1.653 1.00 15.02 C ATOM 1007 O ARG A 107 17.662 2.143 2.271 1.00 14.31 O ATOM 1008 CB ARG A 107 19.453 4.576 3.052 1.00 15.41 C ATOM 1009 CG ARG A 107 20.113 5.936 3.078 1.00 15.96 C ATOM 1010 CD ARG A 107 20.659 6.256 4.454 1.00 16.57 C ATOM 1011 NE ARG A 107 21.730 5.342 4.893 1.00 17.90 N ATOM 1012 CZ ARG A 107 22.957 5.695 5.301 1.00 19.45 C ATOM 1013 NH1 ARG A 107 23.342 6.962 5.365 1.00 19.96 N ATOM 1014 NH2 ARG A 107 23.823 4.753 5.677 1.00 20.73 N ATOM 1015 HE ARG A 107 21.512 4.325 4.885 1.00 0.00 H ATOM 1016 HH12 ARG A 107 24.302 7.198 5.687 1.00 0.00 H ATOM 1017 HH11 ARG A 107 22.684 7.720 5.094 1.00 0.00 H ATOM 1018 HH22 ARG A 107 24.777 5.020 5.995 1.00 0.00 H ATOM 1019 HH21 ARG A 107 23.545 3.751 5.653 1.00 0.00 H ATOM 1020 H ARG A 107 17.120 5.584 2.550 1.00 0.00 H ATOM 1021 N PRO A 108 19.426 2.113 0.857 1.00 16.16 N ATOM 1022 CA PRO A 108 19.417 0.651 0.743 1.00 16.57 C ATOM 1023 C PRO A 108 19.521 -0.109 2.085 1.00 16.59 C ATOM 1024 O PRO A 108 18.972 -1.207 2.217 1.00 16.43 O ATOM 1025 CB PRO A 108 20.632 0.373 -0.145 1.00 18.16 C ATOM 1026 CG PRO A 108 20.733 1.582 -1.006 1.00 18.32 C ATOM 1027 CD PRO A 108 20.347 2.729 -0.116 1.00 17.24 C ATOM 1028 N ASP A 109 20.210 0.485 3.063 1.00 17.01 N ATOM 1029 CA ASP A 109 20.345 -0.094 4.413 1.00 17.29 C ATOM 1030 C ASP A 109 19.291 0.374 5.440 1.00 16.17 C ATOM 1031 O ASP A 109 19.443 0.114 6.633 1.00 16.53 O ATOM 1032 CB ASP A 109 21.764 0.174 4.946 1.00 18.88 C ATOM 1033 CG ASP A 109 21.992 1.627 5.340 1.00 18.97 C ATOM 1034 OD1 ASP A 109 21.164 2.509 5.011 1.00 17.93 O ATOM 1035 OD2 ASP A 109 23.032 1.896 5.976 1.00 20.40 O ATOM 1036 H ASP A 109 20.671 1.396 2.864 1.00 0.00 H ATOM 1037 N ARG A 110 18.225 1.041 4.990 1.00 14.92 N ATOM 1038 CA ARG A 110 17.274 1.693 5.915 1.00 14.19 C ATOM 1039 C ARG A 110 16.557 0.738 6.871 1.00 14.28 C ATOM 1040 O ARG A 110 16.176 1.138 7.964 1.00 14.24 O ATOM 1041 CB ARG A 110 16.223 2.509 5.145 1.00 13.09 C ATOM 1042 CG ARG A 110 15.207 1.673 4.364 1.00 12.55 C ATOM 1043 CD ARG A 110 13.887 1.541 5.111 1.00 12.03 C ATOM 1044 NE ARG A 110 12.911 0.733 4.383 1.00 11.83 N ATOM 1045 CZ ARG A 110 12.139 1.160 3.381 1.00 11.42 C ATOM 1046 NH1 ARG A 110 12.209 2.409 2.931 1.00 11.08 N ATOM 1047 NH2 ARG A 110 11.292 0.317 2.810 1.00 11.51 N ATOM 1048 HE ARG A 110 12.809 -0.261 4.670 1.00 0.00 H ATOM 1049 HH12 ARG A 110 11.596 2.715 2.149 1.00 0.00 H ATOM 1050 HH11 ARG A 110 12.877 3.080 3.361 1.00 0.00 H ATOM 1051 HH22 ARG A 110 10.686 0.639 2.029 1.00 0.00 H ATOM 1052 HH21 ARG A 110 11.233 -0.666 3.143 1.00 0.00 H ATOM 1053 H ARG A 110 18.060 1.103 3.965 1.00 0.00 H ATOM 1054 N ASP A 111 16.361 -0.509 6.448 1.00 14.59 N ATOM 1055 CA ASP A 111 15.674 -1.517 7.268 1.00 14.96 C ATOM 1056 C ASP A 111 16.394 -1.890 8.553 1.00 16.12 C ATOM 1057 O ASP A 111 15.778 -2.448 9.449 1.00 16.51 O ATOM 1058 CB ASP A 111 15.401 -2.794 6.468 1.00 15.16 C ATOM 1059 CG ASP A 111 14.451 -2.556 5.309 1.00 14.45 C ATOM 1060 OD1 ASP A 111 13.450 -1.857 5.502 1.00 13.88 O ATOM 1061 OD2 ASP A 111 14.711 -3.057 4.194 1.00 14.82 O ATOM 1062 H ASP A 111 16.706 -0.779 5.505 1.00 0.00 H ATOM 1063 N ARG A 112 17.685 -1.597 8.644 1.00 16.96 N ATOM 1064 CA ARG A 112 18.410 -1.745 9.913 1.00 18.35 C ATOM 1065 C ARG A 112 18.105 -0.615 10.907 1.00 18.40 C ATOM 1066 O ARG A 112 18.396 -0.756 12.100 1.00 19.54 O ATOM 1067 CB ARG A 112 19.917 -1.794 9.648 1.00 19.55 C ATOM 1068 CG ARG A 112 20.320 -2.998 8.817 1.00 20.03 C ATOM 1069 CD ARG A 112 21.666 -2.821 8.141 1.00 21.12 C ATOM 1070 NE ARG A 112 21.793 -3.745 7.017 1.00 21.30 N ATOM 1071 HE ARG A 112 21.015 -4.396 6.789 1.00 0.00 H ATOM 1072 H ARG A 112 18.192 -1.257 7.802 1.00 0.00 H ATOM 1073 N HIS A 113 17.529 0.488 10.412 1.00 17.27 N ATOM 1074 CA HIS A 113 17.379 1.729 11.185 1.00 17.46 C ATOM 1075 C HIS A 113 15.936 2.162 11.486 1.00 16.78 C ATOM 1076 O HIS A 113 15.681 2.777 12.527 1.00 17.39 O ATOM 1077 CB HIS A 113 18.113 2.853 10.455 1.00 17.20 C ATOM 1078 CG HIS A 113 19.553 2.547 10.186 1.00 18.25 C ATOM 1079 ND1 HIS A 113 20.528 2.658 11.151 1.00 19.79 N ATOM 1080 CD2 HIS A 113 20.178 2.105 9.067 1.00 18.21 C ATOM 1081 CE1 HIS A 113 21.695 2.319 10.633 1.00 20.72 C ATOM 1082 NE2 HIS A 113 21.512 1.983 9.369 1.00 19.73 N ATOM 1083 H HIS A 113 17.171 0.465 9.436 1.00 0.00 H ATOM 1084 N VAL A 114 15.015 1.873 10.563 1.00 15.76 N ATOM 1085 CA VAL A 114 13.605 2.199 10.721 1.00 15.35 C ATOM 1086 C VAL A 114 12.727 1.033 10.278 1.00 15.15 C ATOM 1087 O VAL A 114 13.103 0.254 9.387 1.00 14.89 O ATOM 1088 CB VAL A 114 13.216 3.476 9.923 1.00 14.40 C ATOM 1089 CG1 VAL A 114 14.015 4.683 10.409 1.00 14.83 C ATOM 1090 CG2 VAL A 114 13.410 3.293 8.422 1.00 13.66 C ATOM 1091 H VAL A 114 15.319 1.393 9.692 1.00 0.00 H ATOM 1092 N SER A 115 11.565 0.919 10.913 1.00 15.54 N ATOM 1093 CA SER A 115 10.504 0.051 10.430 1.00 15.51 C ATOM 1094 C SER A 115 9.550 0.903 9.614 1.00 14.79 C ATOM 1095 O SER A 115 9.260 2.033 9.993 1.00 14.77 O ATOM 1096 CB SER A 115 9.751 -0.601 11.598 1.00 16.67 C ATOM 1097 OG SER A 115 10.640 -1.295 12.470 1.00 17.74 O ATOM 1098 HG SER A 115 11.302 -0.658 12.840 1.00 0.00 H ATOM 1099 H SER A 115 11.410 1.468 11.783 1.00 0.00 H ATOM 1100 N ILE A 116 9.089 0.366 8.488 1.00 14.41 N ATOM 1101 CA ILE A 116 7.996 0.956 7.728 1.00 14.09 C ATOM 1102 C ILE A 116 6.703 0.208 8.081 1.00 14.93 C ATOM 1103 O ILE A 116 6.617 -1.004 7.903 1.00 15.25 O ATOM 1104 CB ILE A 116 8.239 0.885 6.200 1.00 13.46 C ATOM 1105 CG1 ILE A 116 9.611 1.468 5.817 1.00 13.08 C ATOM 1106 CG2 ILE A 116 7.133 1.620 5.441 1.00 13.26 C ATOM 1107 CD1 ILE A 116 9.902 2.870 6.314 1.00 12.87 C ATOM 1108 H ILE A 116 9.526 -0.510 8.136 1.00 0.00 H ATOM 1109 N VAL A 117 5.713 0.945 8.574 1.00 15.46 N ATOM 1110 CA VAL A 117 4.432 0.377 8.987 1.00 16.65 C ATOM 1111 C VAL A 117 3.483 0.489 7.790 1.00 16.63 C ATOM 1112 O VAL A 117 2.757 1.467 7.659 1.00 16.63 O ATOM 1113 CB VAL A 117 3.867 1.099 10.228 1.00 17.56 C ATOM 1114 CG1 VAL A 117 2.644 0.367 10.771 1.00 19.04 C ATOM 1115 CG2 VAL A 117 4.919 1.209 11.329 1.00 17.86 C ATOM 1116 H VAL A 117 5.856 1.971 8.670 1.00 0.00 H ATOM 1117 N ARG A 118 3.522 -0.523 6.922 1.00 16.82 N ATOM 1118 CA ARG A 118 2.822 -0.517 5.620 1.00 17.08 C ATOM 1119 C ARG A 118 1.333 -0.279 5.712 1.00 17.72 C ATOM 1120 O ARG A 118 0.758 0.418 4.885 1.00 17.68 O ATOM 1121 CB ARG A 118 2.939 -1.872 4.925 1.00 17.98 C ATOM 1122 CG ARG A 118 4.332 -2.320 4.592 1.00 17.85 C ATOM 1123 CD ARG A 118 4.256 -3.538 3.696 1.00 18.81 C ATOM 1124 NE ARG A 118 5.570 -3.791 3.147 1.00 18.79 N ATOM 1125 CZ ARG A 118 5.835 -4.611 2.137 1.00 19.56 C ATOM 1126 NH1 ARG A 118 4.859 -5.283 1.515 1.00 20.65 N ATOM 1127 NH2 ARG A 118 7.100 -4.738 1.735 1.00 19.45 N ATOM 1128 HE ARG A 118 6.373 -3.290 3.579 1.00 0.00 H ATOM 1129 HH12 ARG A 118 5.088 -5.921 0.726 1.00 0.00 H ATOM 1130 HH11 ARG A 118 3.872 -5.168 1.821 1.00 0.00 H ATOM 1131 HH22 ARG A 118 7.334 -5.374 0.946 1.00 0.00 H ATOM 1132 HH21 ARG A 118 7.853 -4.201 2.210 1.00 0.00 H ATOM 1133 H ARG A 118 4.077 -1.365 7.176 1.00 0.00 H ATOM 1134 N GLU A 119 0.710 -0.938 6.682 1.00 18.51 N ATOM 1135 CA GLU A 119 -0.729 -0.819 6.905 1.00 19.65 C ATOM 1136 C GLU A 119 -1.179 0.629 7.174 1.00 19.16 C ATOM 1137 O GLU A 119 -2.333 0.969 6.918 1.00 20.09 O ATOM 1138 CB GLU A 119 -1.213 -1.776 8.019 1.00 21.28 C ATOM 1139 CG GLU A 119 -0.576 -1.587 9.403 1.00 21.52 C ATOM 1140 CD GLU A 119 0.636 -2.487 9.656 1.00 21.15 C ATOM 1141 OE1 GLU A 119 1.498 -2.622 8.745 1.00 20.12 O ATOM 1142 OE2 GLU A 119 0.748 -3.047 10.779 1.00 22.32 O ATOM 1143 H GLU A 119 1.265 -1.560 7.304 1.00 0.00 H ATOM 1144 N ASN A 120 -0.276 1.471 7.675 1.00 17.75 N ATOM 1145 CA ASN A 120 -0.587 2.890 7.895 1.00 17.44 C ATOM 1146 C ASN A 120 -0.358 3.842 6.699 1.00 16.19 C ATOM 1147 O ASN A 120 -0.708 5.008 6.797 1.00 16.21 O ATOM 1148 CB ASN A 120 0.143 3.396 9.145 1.00 17.27 C ATOM 1149 CG ASN A 120 -0.371 2.734 10.426 1.00 18.79 C ATOM 1150 OD1 ASN A 120 -1.481 2.214 10.454 1.00 19.97 O ATOM 1151 ND2 ASN A 120 0.433 2.766 11.483 1.00 18.80 N ATOM 1152 HD22 ASN A 120 1.367 3.218 11.413 1.00 0.00 H ATOM 1153 HD21 ASN A 120 0.129 2.339 12.381 1.00 0.00 H ATOM 1154 H ASN A 120 0.671 1.115 7.916 1.00 0.00 H ATOM 1155 N ILE A 121 0.191 3.362 5.582 1.00 15.25 N ATOM 1156 CA ILE A 121 0.429 4.238 4.420 1.00 14.41 C ATOM 1157 C ILE A 121 -0.878 4.460 3.654 1.00 15.33 C ATOM 1158 O ILE A 121 -1.642 3.522 3.439 1.00 16.27 O ATOM 1159 CB ILE A 121 1.509 3.674 3.453 1.00 13.60 C ATOM 1160 CG1 ILE A 121 2.838 3.415 4.192 1.00 12.82 C ATOM 1161 CG2 ILE A 121 1.774 4.649 2.306 1.00 13.16 C ATOM 1162 CD1 ILE A 121 3.791 2.500 3.450 1.00 12.46 C ATOM 1163 H ILE A 121 0.454 2.357 5.530 1.00 0.00 H ATOM 1164 N GLN A 122 -1.119 5.702 3.232 1.00 15.16 N ATOM 1165 CA GLN A 122 -2.249 6.015 2.355 1.00 16.22 C ATOM 1166 C GLN A 122 -2.169 5.107 1.135 1.00 16.32 C ATOM 1167 O GLN A 122 -1.121 5.082 0.475 1.00 15.31 O ATOM 1168 CB GLN A 122 -2.204 7.464 1.874 1.00 16.03 C ATOM 1169 CG GLN A 122 -2.403 8.516 2.963 1.00 16.24 C ATOM 1170 CD GLN A 122 -1.881 9.887 2.539 1.00 15.67 C ATOM 1171 OE1 GLN A 122 -1.888 10.220 1.353 1.00 15.98 O ATOM 1172 NE2 GLN A 122 -1.405 10.676 3.500 1.00 15.30 N ATOM 1173 HE22 GLN A 122 -1.418 10.356 4.489 1.00 0.00 H ATOM 1174 HE21 GLN A 122 -1.020 11.612 3.261 1.00 0.00 H ATOM 1175 H GLN A 122 -0.486 6.470 3.534 1.00 0.00 H ATOM 1176 N PRO A 123 -3.247 4.341 0.837 1.00 17.65 N ATOM 1177 CA PRO A 123 -3.221 3.498 -0.367 1.00 18.10 C ATOM 1178 C PRO A 123 -2.832 4.287 -1.625 1.00 17.76 C ATOM 1179 O PRO A 123 -3.304 5.409 -1.821 1.00 18.10 O ATOM 1180 CB PRO A 123 -4.663 2.987 -0.462 1.00 20.12 C ATOM 1181 CG PRO A 123 -5.129 2.936 0.955 1.00 20.43 C ATOM 1182 CD PRO A 123 -4.483 4.125 1.620 1.00 19.09 C ATOM 1183 N GLY A 124 -1.940 3.725 -2.438 1.00 17.23 N ATOM 1184 CA GLY A 124 -1.406 4.428 -3.603 1.00 17.04 C ATOM 1185 C GLY A 124 -0.134 5.231 -3.391 1.00 15.41 C ATOM 1186 O GLY A 124 0.457 5.690 -4.359 1.00 15.43 O ATOM 1187 H GLY A 124 -1.614 2.758 -2.238 1.00 0.00 H ATOM 1188 N GLN A 125 0.297 5.394 -2.142 1.00 14.23 N ATOM 1189 CA GLN A 125 1.486 6.170 -1.810 1.00 12.93 C ATOM 1190 C GLN A 125 2.643 5.328 -1.282 1.00 12.13 C ATOM 1191 O GLN A 125 3.656 5.866 -0.815 1.00 11.16 O ATOM 1192 CB GLN A 125 1.118 7.247 -0.790 1.00 12.56 C ATOM 1193 CG GLN A 125 0.057 8.216 -1.284 1.00 13.43 C ATOM 1194 CD GLN A 125 0.470 8.924 -2.566 1.00 13.62 C ATOM 1195 OE1 GLN A 125 1.598 9.380 -2.679 1.00 12.86 O ATOM 1196 NE2 GLN A 125 -0.441 8.994 -3.545 1.00 14.92 N ATOM 1197 HE22 GLN A 125 -1.389 8.591 -3.403 1.00 0.00 H ATOM 1198 HE21 GLN A 125 -0.200 9.451 -4.448 1.00 0.00 H ATOM 1199 H GLN A 125 -0.238 4.948 -1.369 1.00 0.00 H ATOM 1200 N GLU A 126 2.516 4.009 -1.392 1.00 12.63 N ATOM 1201 CA GLU A 126 3.524 3.102 -0.863 1.00 12.15 C ATOM 1202 C GLU A 126 4.852 3.250 -1.630 1.00 11.96 C ATOM 1203 O GLU A 126 5.926 3.106 -1.040 1.00 11.33 O ATOM 1204 CB GLU A 126 3.031 1.645 -0.881 1.00 12.87 C ATOM 1205 CG GLU A 126 1.761 1.388 -0.065 1.00 13.43 C ATOM 1206 CD GLU A 126 0.463 1.504 -0.852 1.00 14.63 C ATOM 1207 OE1 GLU A 126 0.423 2.181 -1.903 1.00 14.81 O ATOM 1208 OE2 GLU A 126 -0.530 0.896 -0.416 1.00 15.58 O ATOM 1209 H GLU A 126 1.678 3.617 -1.867 1.00 0.00 H ATOM 1210 N TYR A 127 4.781 3.593 -2.917 1.00 12.75 N ATOM 1211 CA TYR A 127 5.986 3.819 -3.729 1.00 12.97 C ATOM 1212 C TYR A 127 6.939 4.850 -3.100 1.00 12.05 C ATOM 1213 O TYR A 127 8.131 4.758 -3.289 1.00 12.03 O ATOM 1214 CB TYR A 127 5.629 4.203 -5.179 1.00 14.29 C ATOM 1215 CG TYR A 127 5.080 5.600 -5.357 1.00 14.46 C ATOM 1216 CD1 TYR A 127 3.703 5.857 -5.285 1.00 15.06 C ATOM 1217 CD2 TYR A 127 5.932 6.672 -5.627 1.00 14.35 C ATOM 1218 CE1 TYR A 127 3.197 7.147 -5.462 1.00 15.28 C ATOM 1219 CE2 TYR A 127 5.436 7.955 -5.807 1.00 14.53 C ATOM 1220 CZ TYR A 127 4.070 8.191 -5.718 1.00 14.97 C ATOM 1221 OH TYR A 127 3.586 9.477 -5.888 1.00 15.46 O ATOM 1222 HH TYR A 127 2.600 9.472 -5.794 1.00 0.00 H ATOM 1223 H TYR A 127 3.846 3.704 -3.359 1.00 0.00 H ATOM 1224 N ASN A 128 6.416 5.784 -2.303 1.00 11.44 N ATOM 1225 CA ASN A 128 7.250 6.752 -1.592 1.00 10.76 C ATOM 1226 C ASN A 128 8.182 6.139 -0.527 1.00 10.33 C ATOM 1227 O ASN A 128 9.051 6.830 0.000 1.00 9.95 O ATOM 1228 CB ASN A 128 6.359 7.833 -0.974 1.00 10.51 C ATOM 1229 CG ASN A 128 5.666 8.678 -2.035 1.00 11.08 C ATOM 1230 OD1 ASN A 128 6.325 9.381 -2.786 1.00 11.32 O ATOM 1231 ND2 ASN A 128 4.340 8.586 -2.118 1.00 11.58 N ATOM 1232 HD22 ASN A 128 3.819 7.975 -1.457 1.00 0.00 H ATOM 1233 HD21 ASN A 128 3.826 9.125 -2.843 1.00 0.00 H ATOM 1234 H ASN A 128 5.384 5.825 -2.184 1.00 0.00 H ATOM 1235 N PHE A 129 7.985 4.852 -0.213 1.00 10.57 N ATOM 1236 CA PHE A 129 8.745 4.135 0.805 1.00 10.45 C ATOM 1237 C PHE A 129 9.654 3.057 0.261 1.00 11.05 C ATOM 1238 O PHE A 129 10.414 2.474 1.019 1.00 10.99 O ATOM 1239 CB PHE A 129 7.779 3.546 1.833 1.00 10.44 C ATOM 1240 CG PHE A 129 6.980 4.593 2.544 1.00 10.22 C ATOM 1241 CD1 PHE A 129 5.850 5.146 1.941 1.00 10.42 C ATOM 1242 CD2 PHE A 129 7.375 5.067 3.786 1.00 10.02 C ATOM 1243 CE1 PHE A 129 5.123 6.140 2.577 1.00 10.42 C ATOM 1244 CE2 PHE A 129 6.648 6.068 4.428 1.00 10.04 C ATOM 1245 CZ PHE A 129 5.522 6.596 3.820 1.00 10.21 C ATOM 1246 H PHE A 129 7.245 4.332 -0.726 1.00 0.00 H ATOM 1247 N LEU A 130 9.578 2.784 -1.044 1.00 11.93 N ATOM 1248 CA LEU A 130 10.500 1.869 -1.689 1.00 12.83 C ATOM 1249 C LEU A 130 11.953 2.247 -1.442 1.00 13.07 C ATOM 1250 O LEU A 130 12.330 3.407 -1.551 1.00 12.86 O ATOM 1251 CB LEU A 130 10.256 1.820 -3.202 1.00 13.76 C ATOM 1252 CG LEU A 130 9.301 0.745 -3.659 1.00 14.44 C ATOM 1253 CD1 LEU A 130 8.853 1.010 -5.091 1.00 15.54 C ATOM 1254 CD2 LEU A 130 9.939 -0.637 -3.541 1.00 14.93 C ATOM 1255 H LEU A 130 8.837 3.240 -1.614 1.00 0.00 H ATOM 1256 N LYS A 131 12.769 1.257 -1.103 1.00 13.89 N ATOM 1257 CA LYS A 131 14.212 1.482 -1.011 1.00 14.66 C ATOM 1258 C LYS A 131 14.773 1.841 -2.385 1.00 15.90 C ATOM 1259 O LYS A 131 14.303 1.332 -3.404 1.00 16.42 O ATOM 1260 CB LYS A 131 14.933 0.257 -0.468 1.00 15.17 C ATOM 1261 CG LYS A 131 14.755 0.074 1.027 1.00 14.67 C ATOM 1262 CD LYS A 131 15.772 -0.913 1.588 1.00 15.45 C ATOM 1263 CE LYS A 131 15.540 -2.337 1.118 1.00 16.00 C ATOM 1264 NZ LYS A 131 14.222 -2.850 1.586 1.00 15.49 N ATOM 1265 HZ1 LYS A 131 14.194 -2.834 2.626 1.00 0.00 H ATOM 1266 HZ2 LYS A 131 13.463 -2.247 1.209 1.00 0.00 H ATOM 1267 HZ3 LYS A 131 14.092 -3.825 1.249 1.00 0.00 H ATOM 1268 H LYS A 131 12.380 0.314 -0.901 1.00 0.00 H ATOM 1269 N MET A 132 15.732 2.761 -2.395 1.00 16.70 N ATOM 1270 CA MET A 132 16.549 3.023 -3.569 1.00 18.43 C ATOM 1271 C MET A 132 17.330 1.746 -3.849 1.00 19.67 C ATOM 1272 O MET A 132 17.757 1.057 -2.921 1.00 19.38 O ATOM 1273 CB MET A 132 17.571 4.129 -3.307 1.00 19.11 C ATOM 1274 CG MET A 132 17.041 5.522 -3.016 1.00 18.57 C ATOM 1275 SD MET A 132 16.082 6.267 -4.329 1.00 19.38 S ATOM 1276 CE MET A 132 17.233 6.284 -5.701 1.00 21.22 C ATOM 1277 H MET A 132 15.905 3.314 -1.531 1.00 0.00 H ATOM 1278 N GLU A 133 17.537 1.439 -5.120 1.00 21.32 N ATOM 1279 CA GLU A 133 18.386 0.307 -5.476 1.00 22.96 C ATOM 1280 C GLU A 133 19.850 0.673 -5.179 1.00 23.93 C ATOM 1281 O GLU A 133 20.216 1.855 -5.269 1.00 23.79 O ATOM 1282 CB GLU A 133 18.167 -0.088 -6.927 1.00 24.68 C ATOM 1283 CG GLU A 133 16.728 -0.516 -7.184 1.00 24.21 C ATOM 1284 CD GLU A 133 16.539 -1.182 -8.525 1.00 26.15 C ATOM 1285 OE1 GLU A 133 17.440 -1.084 -9.387 1.00 28.08 O ATOM 1286 OE2 GLU A 133 15.487 -1.822 -8.714 1.00 26.28 O ATOM 1287 H GLU A 133 17.092 2.008 -5.869 1.00 0.00 H ATOM 1288 N PRO A 134 20.670 -0.320 -4.770 1.00 24.88 N ATOM 1289 CA PRO A 134 22.027 -0.033 -4.260 1.00 26.09 C ATOM 1290 C PRO A 134 22.978 0.670 -5.243 1.00 28.22 C ATOM 1291 O PRO A 134 23.860 1.418 -4.812 1.00 28.78 O ATOM 1292 CB PRO A 134 22.567 -1.418 -3.854 1.00 26.78 C ATOM 1293 CG PRO A 134 21.685 -2.409 -4.527 1.00 26.63 C ATOM 1294 CD PRO A 134 20.342 -1.754 -4.664 1.00 25.01 C ATOM 1295 N GLN A 135 22.788 0.454 -6.540 1.00 29.73 N ATOM 1296 CA GLN A 135 23.596 1.146 -7.552 1.00 32.14 C ATOM 1297 C GLN A 135 23.278 2.648 -7.671 1.00 32.04 C ATOM 1298 O GLN A 135 24.099 3.398 -8.183 1.00 33.43 O ATOM 1299 CB GLN A 135 23.496 0.458 -8.925 1.00 33.78 C ATOM 1300 CG GLN A 135 22.201 0.668 -9.710 1.00 33.02 C ATOM 1301 CD GLN A 135 21.052 -0.208 -9.257 1.00 31.30 C ATOM 1302 OE1 GLN A 135 21.141 -0.912 -8.251 1.00 30.25 O ATOM 1303 NE2 GLN A 135 19.959 -0.164 -10.002 1.00 31.12 N ATOM 1304 HE22 GLN A 135 19.928 0.445 -10.844 1.00 0.00 H ATOM 1305 HE21 GLN A 135 19.131 -0.739 -9.745 1.00 0.00 H ATOM 1306 H GLN A 135 22.054 -0.217 -6.844 1.00 0.00 H ATOM 1307 N GLU A 136 22.100 3.076 -7.215 1.00 30.77 N ATOM 1308 CA GLU A 136 21.676 4.475 -7.358 1.00 30.98 C ATOM 1309 C GLU A 136 22.195 5.414 -6.265 1.00 30.98 C ATOM 1310 O GLU A 136 22.138 6.632 -6.429 1.00 30.73 O ATOM 1311 CB GLU A 136 20.141 4.555 -7.412 1.00 29.58 C ATOM 1312 CG GLU A 136 19.478 3.718 -8.505 1.00 30.58 C ATOM 1313 CD GLU A 136 20.013 3.996 -9.904 1.00 33.22 C ATOM 1314 OE1 GLU A 136 20.422 5.147 -10.191 1.00 34.21 O ATOM 1315 OE2 GLU A 136 20.040 3.055 -10.730 1.00 35.03 O ATOM 1316 H GLU A 136 21.464 2.400 -6.745 1.00 0.00 H ATOM 1317 N VAL A 137 22.718 4.856 -5.175 1.00 31.81 N ATOM 1318 CA VAL A 137 22.998 5.609 -3.956 1.00 32.21 C ATOM 1319 C VAL A 137 24.406 5.331 -3.421 1.00 34.91 C ATOM 1320 O VAL A 137 24.966 4.257 -3.646 1.00 36.47 O ATOM 1321 CB VAL A 137 21.939 5.268 -2.878 1.00 30.30 C ATOM 1322 CG1 VAL A 137 22.212 5.987 -1.567 1.00 29.89 C ATOM 1323 CG2 VAL A 137 20.549 5.640 -3.377 1.00 29.01 C ATOM 1324 H VAL A 137 22.937 3.839 -5.193 1.00 0.00 H ATOM 1325 N GLU A 138 24.970 6.328 -2.736 1.00 36.50 N ATOM 1326 CA GLU A 138 26.226 6.202 -1.990 1.00 38.88 C ATOM 1327 C GLU A 138 26.102 6.897 -0.617 1.00 38.95 C ATOM 1328 O GLU A 138 25.617 8.044 -0.525 1.00 38.66 O ATOM 1329 CB GLU A 138 27.381 6.802 -2.788 1.00 41.54 C ATOM 1330 H GLU A 138 24.489 7.250 -2.731 1.00 0.00 H ATOM 1331 N SER A 139 26.503 6.183 0.439 1.00 39.79 N ATOM 1332 CA SER A 139 26.536 6.710 1.815 1.00 39.73 C ATOM 1333 C SER A 139 27.775 7.558 2.085 1.00 41.89 C ATOM 1334 O SER A 139 27.737 8.464 2.931 1.00 41.88 O ATOM 1335 CB SER A 139 26.495 5.568 2.837 1.00 39.75 C ATOM 1336 H SER A 139 26.809 5.202 0.281 1.00 0.00 H ATOM 1337 N LEU A 140 28.874 7.237 1.394 1.00 44.04 N ATOM 1338 CA LEU A 140 30.164 7.911 1.561 1.00 46.12 C ATOM 1339 C LEU A 140 30.669 7.789 3.009 1.00 46.40 C ATOM 1340 O LEU A 140 31.318 8.694 3.525 1.00 48.14 O ATOM 1341 CB LEU A 140 30.077 9.384 1.113 1.00 46.53 C ATOM 1342 CG LEU A 140 29.570 9.652 -0.315 1.00 46.21 C ATOM 1343 CD1 LEU A 140 29.030 11.070 -0.457 1.00 45.56 C ATOM 1344 CD2 LEU A 140 30.669 9.390 -1.338 1.00 48.77 C ATOM 1345 H LEU A 140 28.809 6.466 0.699 1.00 0.00 H ATOM 1346 N GLY A 141 30.359 6.667 3.658 1.00 44.84 N ATOM 1347 CA GLY A 141 30.741 6.436 5.052 1.00 44.87 C ATOM 1348 C GLY A 141 29.857 7.066 6.122 1.00 42.49 C ATOM 1349 O GLY A 141 30.103 6.856 7.318 1.00 43.21 O ATOM 1350 H GLY A 141 29.826 5.929 3.156 1.00 0.00 H ATOM 1351 N GLU A 142 28.825 7.815 5.719 1.00 39.45 N ATOM 1352 CA GLU A 142 27.964 8.503 6.679 1.00 37.11 C ATOM 1353 C GLU A 142 26.934 7.522 7.229 1.00 34.27 C ATOM 1354 O GLU A 142 26.313 6.763 6.475 1.00 32.82 O ATOM 1355 CB GLU A 142 27.263 9.727 6.059 1.00 36.11 C ATOM 1356 CG GLU A 142 28.169 10.926 5.777 1.00 37.97 C ATOM 1357 CD GLU A 142 28.815 11.513 7.033 1.00 39.83 C ATOM 1358 OE1 GLU A 142 30.047 11.736 7.026 1.00 42.09 O ATOM 1359 OE2 GLU A 142 28.096 11.750 8.032 1.00 39.37 O ATOM 1360 H GLU A 142 28.631 7.910 4.702 1.00 0.00 H ATOM 1361 N THR A 143 26.766 7.560 8.551 1.00 33.22 N ATOM 1362 CA THR A 143 25.800 6.733 9.254 1.00 31.09 C ATOM 1363 C THR A 143 24.394 7.212 8.906 1.00 27.84 C ATOM 1364 O THR A 143 24.207 8.340 8.436 1.00 27.36 O ATOM 1365 CB THR A 143 25.985 6.821 10.787 1.00 32.46 C ATOM 1366 OG1 THR A 143 25.876 8.188 11.201 1.00 32.81 O ATOM 1367 CG2 THR A 143 27.349 6.279 11.219 1.00 35.07 C ATOM 1368 HG1 THR A 143 25.994 8.245 12.182 1.00 0.00 H ATOM 1369 H THR A 143 27.355 8.213 9.106 1.00 0.00 H ATOM 1370 N TYR A 144 23.419 6.349 9.148 1.00 25.51 N ATOM 1371 CA TYR A 144 22.022 6.669 8.922 1.00 22.98 C ATOM 1372 C TYR A 144 21.623 7.887 9.751 1.00 22.46 C ATOM 1373 O TYR A 144 21.730 7.869 10.970 1.00 23.37 O ATOM 1374 CB TYR A 144 21.140 5.483 9.295 1.00 22.13 C ATOM 1375 CG TYR A 144 19.721 5.660 8.858 1.00 20.37 C ATOM 1376 CD1 TYR A 144 18.799 6.323 9.666 1.00 19.93 C ATOM 1377 CD2 TYR A 144 19.294 5.174 7.627 1.00 19.35 C ATOM 1378 CE1 TYR A 144 17.491 6.491 9.254 1.00 18.60 C ATOM 1379 CE2 TYR A 144 17.990 5.334 7.209 1.00 18.04 C ATOM 1380 CZ TYR A 144 17.095 5.995 8.021 1.00 17.63 C ATOM 1381 OH TYR A 144 15.805 6.149 7.607 1.00 16.50 O ATOM 1382 HH TYR A 144 15.294 6.641 8.298 1.00 0.00 H ATOM 1383 H TYR A 144 23.664 5.407 9.514 1.00 0.00 H ATOM 1384 N ASP A 145 21.133 8.926 9.087 1.00 20.93 N ATOM 1385 CA ASP A 145 20.920 10.219 9.740 1.00 20.78 C ATOM 1386 C ASP A 145 19.430 10.504 9.995 1.00 19.09 C ATOM 1387 O ASP A 145 18.713 11.000 9.129 1.00 17.74 O ATOM 1388 CB ASP A 145 21.577 11.316 8.910 1.00 21.12 C ATOM 1389 CG ASP A 145 21.492 12.684 9.565 1.00 21.77 C ATOM 1390 OD1 ASP A 145 21.253 12.793 10.787 1.00 22.33 O ATOM 1391 OD2 ASP A 145 21.669 13.669 8.832 1.00 21.81 O ATOM 1392 H ASP A 145 20.895 8.820 8.080 1.00 0.00 H ATOM 1393 N PHE A 146 18.995 10.192 11.210 1.00 19.21 N ATOM 1394 CA PHE A 146 17.632 10.455 11.669 1.00 18.35 C ATOM 1395 C PHE A 146 17.274 11.962 11.641 1.00 18.20 C ATOM 1396 O PHE A 146 16.132 12.334 11.401 1.00 17.23 O ATOM 1397 CB PHE A 146 17.457 9.906 13.095 1.00 19.42 C ATOM 1398 CG PHE A 146 17.581 8.403 13.193 1.00 19.40 C ATOM 1399 CD1 PHE A 146 16.543 7.582 12.777 1.00 18.19 C ATOM 1400 CD2 PHE A 146 18.739 7.809 13.704 1.00 20.79 C ATOM 1401 CE1 PHE A 146 16.645 6.197 12.861 1.00 18.31 C ATOM 1402 CE2 PHE A 146 18.842 6.425 13.798 1.00 20.93 C ATOM 1403 CZ PHE A 146 17.796 5.620 13.369 1.00 19.64 C ATOM 1404 H PHE A 146 19.658 9.737 11.869 1.00 0.00 H ATOM 1405 N ASP A 147 18.279 12.798 11.902 1.00 19.39 N ATOM 1406 CA ASP A 147 18.188 14.270 11.872 1.00 19.59 C ATOM 1407 C ASP A 147 18.196 14.964 10.514 1.00 18.30 C ATOM 1408 O ASP A 147 18.023 16.187 10.455 1.00 18.38 O ATOM 1409 CB ASP A 147 19.380 14.851 12.643 1.00 21.95 C ATOM 1410 CG ASP A 147 19.318 14.560 14.110 1.00 23.67 C ATOM 1411 OD1 ASP A 147 18.210 14.339 14.640 1.00 23.69 O ATOM 1412 OD2 ASP A 147 20.381 14.536 14.751 1.00 25.75 O ATOM 1413 H ASP A 147 19.199 12.380 12.146 1.00 0.00 H ATOM 1414 N SER A 148 18.425 14.216 9.435 1.00 17.17 N ATOM 1415 CA SER A 148 18.525 14.812 8.113 1.00 16.37 C ATOM 1416 C SER A 148 17.284 15.629 7.752 1.00 15.15 C ATOM 1417 O SER A 148 16.149 15.246 8.074 1.00 14.35 O ATOM 1418 CB SER A 148 18.762 13.743 7.054 1.00 15.81 C ATOM 1419 OG SER A 148 18.783 14.295 5.749 1.00 15.47 O ATOM 1420 HG SER A 148 19.510 14.964 5.686 1.00 0.00 H ATOM 1421 H SER A 148 18.534 13.187 9.541 1.00 0.00 H ATOM 1422 N ILE A 149 17.523 16.753 7.081 1.00 15.14 N ATOM 1423 CA ILE A 149 16.465 17.554 6.466 1.00 14.20 C ATOM 1424 C ILE A 149 15.731 16.759 5.362 1.00 13.00 C ATOM 1425 O ILE A 149 14.637 17.146 4.962 1.00 12.28 O ATOM 1426 CB ILE A 149 17.043 18.874 5.882 1.00 14.87 C ATOM 1427 CG1 ILE A 149 15.957 19.940 5.685 1.00 14.42 C ATOM 1428 CG2 ILE A 149 17.797 18.623 4.576 1.00 15.07 C ATOM 1429 CD1 ILE A 149 15.733 20.802 6.900 1.00 15.10 C ATOM 1430 H ILE A 149 18.507 17.077 6.990 1.00 0.00 H ATOM 1431 N MET A 150 16.361 15.684 4.864 1.00 12.96 N ATOM 1432 CA MET A 150 15.778 14.788 3.854 1.00 12.20 C ATOM 1433 C MET A 150 15.031 13.585 4.444 1.00 11.56 C ATOM 1434 O MET A 150 14.572 12.712 3.686 1.00 11.06 O ATOM 1435 CB MET A 150 16.887 14.262 2.930 1.00 12.85 C ATOM 1436 CG MET A 150 17.829 15.334 2.394 1.00 13.88 C ATOM 1437 SD MET A 150 16.961 16.686 1.582 1.00 13.66 S ATOM 1438 CE MET A 150 16.296 15.853 0.146 1.00 13.17 C ATOM 1439 H MET A 150 17.318 15.472 5.213 1.00 0.00 H ATOM 1440 N HIS A 151 14.913 13.520 5.774 1.00 11.77 N ATOM 1441 CA HIS A 151 14.224 12.414 6.418 1.00 11.46 C ATOM 1442 C HIS A 151 12.747 12.713 6.587 1.00 10.90 C ATOM 1443 O HIS A 151 12.385 13.792 7.050 1.00 11.20 O ATOM 1444 CB HIS A 151 14.828 12.067 7.780 1.00 12.33 C ATOM 1445 CG HIS A 151 14.592 10.642 8.177 1.00 12.27 C ATOM 1446 ND1 HIS A 151 13.355 10.171 8.558 1.00 11.90 N ATOM 1447 CD2 HIS A 151 15.432 9.585 8.240 1.00 12.71 C ATOM 1448 CE1 HIS A 151 13.441 8.884 8.837 1.00 12.06 C ATOM 1449 NE2 HIS A 151 14.691 8.501 8.645 1.00 12.52 N ATOM 1450 H HIS A 151 15.322 14.276 6.360 1.00 0.00 H ATOM 1451 N TYR A 152 11.896 11.768 6.198 1.00 10.32 N ATOM 1452 CA TYR A 152 10.444 11.858 6.475 1.00 10.09 C ATOM 1453 C TYR A 152 10.141 11.983 7.955 1.00 10.67 C ATOM 1454 O TYR A 152 10.928 11.540 8.793 1.00 11.25 O ATOM 1455 CB TYR A 152 9.731 10.606 5.963 1.00 9.76 C ATOM 1456 CG TYR A 152 9.285 10.621 4.529 1.00 9.40 C ATOM 1457 CD1 TYR A 152 9.708 11.605 3.623 1.00 9.35 C ATOM 1458 CD2 TYR A 152 8.438 9.616 4.054 1.00 9.37 C ATOM 1459 CE1 TYR A 152 9.281 11.583 2.306 1.00 9.32 C ATOM 1460 CE2 TYR A 152 8.026 9.592 2.730 1.00 9.34 C ATOM 1461 CZ TYR A 152 8.441 10.576 1.865 1.00 9.34 C ATOM 1462 OH TYR A 152 8.017 10.558 0.539 1.00 9.67 O ATOM 1463 HH TYR A 152 8.405 11.332 0.059 1.00 0.00 H ATOM 1464 H TYR A 152 12.261 10.941 5.684 1.00 0.00 H ATOM 1465 N ALA A 153 8.991 12.576 8.272 1.00 10.79 N ATOM 1466 CA ALA A 153 8.482 12.570 9.636 1.00 11.64 C ATOM 1467 C ALA A 153 7.871 11.207 9.924 1.00 11.72 C ATOM 1468 O ALA A 153 7.706 10.361 9.019 1.00 11.02 O ATOM 1469 CB ALA A 153 7.464 13.697 9.859 1.00 12.05 C ATOM 1470 H ALA A 153 8.444 13.054 7.528 1.00 0.00 H ATOM 1471 N ARG A 154 7.546 10.994 11.192 1.00 12.70 N ATOM 1472 CA ARG A 154 6.970 9.726 11.642 1.00 13.16 C ATOM 1473 C ARG A 154 5.668 9.309 10.929 1.00 12.87 C ATOM 1474 O ARG A 154 5.379 8.119 10.834 1.00 12.86 O ATOM 1475 CB ARG A 154 6.704 9.779 13.148 1.00 14.76 C ATOM 1476 CG ARG A 154 5.599 10.746 13.565 1.00 15.63 C ATOM 1477 CD ARG A 154 5.640 11.000 15.060 1.00 17.49 C ATOM 1478 NE ARG A 154 5.472 9.759 15.810 1.00 18.51 N ATOM 1479 CZ ARG A 154 5.540 9.642 17.139 1.00 20.40 C ATOM 1480 NH1 ARG A 154 5.792 10.690 17.918 1.00 21.55 N ATOM 1481 NH2 ARG A 154 5.356 8.448 17.690 1.00 21.30 N ATOM 1482 HE ARG A 154 5.284 8.894 15.264 1.00 0.00 H ATOM 1483 HH12 ARG A 154 5.840 10.571 18.950 1.00 0.00 H ATOM 1484 HH11 ARG A 154 5.942 11.628 17.495 1.00 0.00 H ATOM 1485 HH22 ARG A 154 5.405 8.339 18.723 1.00 0.00 H ATOM 1486 HH21 ARG A 154 5.162 7.622 17.089 1.00 0.00 H ATOM 1487 H ARG A 154 7.705 11.751 11.887 1.00 0.00 H ATOM 1488 N ASN A 155 4.897 10.289 10.458 1.00 12.78 N ATOM 1489 CA ASN A 155 3.537 10.065 9.926 1.00 12.99 C ATOM 1490 C ASN A 155 3.352 10.594 8.496 1.00 12.13 C ATOM 1491 O ASN A 155 2.224 10.847 8.060 1.00 12.50 O ATOM 1492 CB ASN A 155 2.497 10.661 10.890 1.00 14.37 C ATOM 1493 CG ASN A 155 2.698 12.151 11.148 1.00 14.55 C ATOM 1494 OD1 ASN A 155 3.543 12.794 10.516 1.00 13.62 O ATOM 1495 ND2 ASN A 155 1.916 12.707 12.079 1.00 15.90 N ATOM 1496 HD22 ASN A 155 1.218 12.126 12.586 1.00 0.00 H ATOM 1497 HD21 ASN A 155 2.006 13.720 12.296 1.00 0.00 H ATOM 1498 H ASN A 155 5.271 11.259 10.465 1.00 0.00 H ATOM 1499 N THR A 156 4.453 10.719 7.755 1.00 11.18 N ATOM 1500 CA THR A 156 4.404 11.200 6.371 1.00 10.62 C ATOM 1501 C THR A 156 3.666 10.170 5.512 1.00 10.77 C ATOM 1502 O THR A 156 3.948 8.971 5.610 1.00 10.67 O ATOM 1503 CB THR A 156 5.823 11.406 5.800 1.00 9.89 C ATOM 1504 OG1 THR A 156 6.580 12.264 6.672 1.00 10.03 O ATOM 1505 CG2 THR A 156 5.770 11.990 4.396 1.00 9.56 C ATOM 1506 HG1 THR A 156 6.126 13.141 6.746 1.00 0.00 H ATOM 1507 H THR A 156 5.373 10.468 8.170 1.00 0.00 H ATOM 1508 N PHE A 157 2.730 10.659 4.691 1.00 11.16 N ATOM 1509 CA PHE A 157 1.822 9.827 3.896 1.00 11.77 C ATOM 1510 C PHE A 157 1.047 8.791 4.729 1.00 12.69 C ATOM 1511 O PHE A 157 0.747 7.700 4.248 1.00 12.95 O ATOM 1512 CB PHE A 157 2.566 9.161 2.730 1.00 11.27 C ATOM 1513 CG PHE A 157 2.976 10.126 1.658 1.00 11.05 C ATOM 1514 CD1 PHE A 157 2.009 10.868 0.968 1.00 11.69 C ATOM 1515 CD2 PHE A 157 4.321 10.289 1.314 1.00 10.47 C ATOM 1516 CE1 PHE A 157 2.383 11.761 -0.035 1.00 11.71 C ATOM 1517 CE2 PHE A 157 4.696 11.186 0.311 1.00 10.50 C ATOM 1518 CZ PHE A 157 3.729 11.919 -0.362 1.00 11.08 C ATOM 1519 H PHE A 157 2.641 11.692 4.612 1.00 0.00 H ATOM 1520 N SER A 158 0.709 9.140 5.965 1.00 13.43 N ATOM 1521 CA SER A 158 -0.070 8.242 6.813 1.00 14.72 C ATOM 1522 C SER A 158 -1.556 8.416 6.559 1.00 16.18 C ATOM 1523 O SER A 158 -2.010 9.487 6.168 1.00 16.34 O ATOM 1524 CB SER A 158 0.194 8.492 8.292 1.00 15.21 C ATOM 1525 OG SER A 158 -0.480 7.520 9.069 1.00 16.36 O ATOM 1526 HG SER A 158 -0.305 7.687 10.029 1.00 0.00 H ATOM 1527 H SER A 158 1.003 10.067 6.334 1.00 0.00 H ATOM 1528 N ARG A 159 -2.309 7.359 6.819 1.00 17.50 N ATOM 1529 CA ARG A 159 -3.768 7.430 6.783 1.00 19.43 C ATOM 1530 C ARG A 159 -4.325 8.428 7.795 1.00 20.52 C ATOM 1531 O ARG A 159 -5.448 8.902 7.633 1.00 21.87 O ATOM 1532 CB ARG A 159 -4.381 6.077 7.090 1.00 20.80 C ATOM 1533 CG ARG A 159 -4.152 5.017 6.041 1.00 20.55 C ATOM 1534 CD ARG A 159 -4.570 3.682 6.618 1.00 21.90 C ATOM 1535 NE ARG A 159 -4.229 2.586 5.727 1.00 21.76 N ATOM 1536 CZ ARG A 159 -5.062 1.965 4.885 1.00 23.09 C ATOM 1537 NH1 ARG A 159 -6.347 2.313 4.771 1.00 24.89 N ATOM 1538 NH2 ARG A 159 -4.591 0.969 4.135 1.00 22.78 N ATOM 1539 HE ARG A 159 -3.244 2.253 5.746 1.00 0.00 H ATOM 1540 HH12 ARG A 159 -6.966 1.807 4.105 1.00 0.00 H ATOM 1541 HH11 ARG A 159 -6.729 3.090 5.348 1.00 0.00 H ATOM 1542 HH22 ARG A 159 -5.222 0.473 3.474 1.00 0.00 H ATOM 1543 HH21 ARG A 159 -3.593 0.688 4.211 1.00 0.00 H ATOM 1544 H ARG A 159 -1.851 6.456 7.055 1.00 0.00 H ATOM 1545 N GLY A 160 -3.567 8.702 8.858 1.00 20.22 N ATOM 1546 CA GLY A 160 -3.943 9.734 9.832 1.00 21.28 C ATOM 1547 C GLY A 160 -2.768 10.141 10.702 1.00 20.58 C ATOM 1548 O GLY A 160 -1.842 9.341 10.924 1.00 19.77 O ATOM 1549 H GLY A 160 -2.685 8.170 9.001 1.00 0.00 H ATOM 1550 N ILE A 161 -2.819 11.378 11.198 1.00 21.01 N ATOM 1551 CA ILE A 161 -1.712 11.991 11.959 1.00 20.53 C ATOM 1552 C ILE A 161 -1.237 11.192 13.182 1.00 21.19 C ATOM 1553 O ILE A 161 -0.046 11.189 13.505 1.00 20.39 O ATOM 1554 CB ILE A 161 -2.009 13.471 12.357 1.00 21.45 C ATOM 1555 CG1 ILE A 161 -3.283 13.603 13.204 1.00 23.84 C ATOM 1556 CG2 ILE A 161 -2.056 14.346 11.101 1.00 20.41 C ATOM 1557 CD1 ILE A 161 -3.596 15.023 13.661 1.00 24.95 C ATOM 1558 H ILE A 161 -3.681 11.938 11.041 1.00 0.00 H ATOM 1559 N PHE A 162 -2.161 10.482 13.827 1.00 22.71 N ATOM 1560 CA PHE A 162 -1.833 9.628 14.967 1.00 23.65 C ATOM 1561 C PHE A 162 -1.399 8.207 14.592 1.00 22.76 C ATOM 1562 O PHE A 162 -1.182 7.380 15.480 1.00 23.74 O ATOM 1563 CB PHE A 162 -3.020 9.602 15.936 1.00 26.21 C ATOM 1564 CG PHE A 162 -3.320 10.950 16.548 1.00 27.38 C ATOM 1565 CD1 PHE A 162 -2.505 11.462 17.549 1.00 27.93 C ATOM 1566 CD2 PHE A 162 -4.397 11.717 16.106 1.00 28.07 C ATOM 1567 CE1 PHE A 162 -2.768 12.704 18.117 1.00 29.23 C ATOM 1568 CE2 PHE A 162 -4.667 12.959 16.670 1.00 29.32 C ATOM 1569 CZ PHE A 162 -3.853 13.455 17.681 1.00 29.88 C ATOM 1570 H PHE A 162 -3.150 10.537 13.509 1.00 0.00 H ATOM 1571 N LEU A 163 -1.269 7.917 13.296 1.00 21.10 N ATOM 1572 CA LEU A 163 -0.735 6.643 12.827 1.00 20.22 C ATOM 1573 C LEU A 163 0.654 6.846 12.218 1.00 18.33 C ATOM 1574 O LEU A 163 0.834 7.663 11.308 1.00 17.20 O ATOM 1575 CB LEU A 163 -1.687 5.996 11.810 1.00 20.30 C ATOM 1576 CG LEU A 163 -3.041 5.476 12.340 1.00 22.44 C ATOM 1577 CD1 LEU A 163 -3.884 4.896 11.216 1.00 22.54 C ATOM 1578 CD2 LEU A 163 -2.867 4.429 13.427 1.00 23.60 C ATOM 1579 H LEU A 163 -1.560 8.626 12.593 1.00 0.00 H ATOM 1580 N ASP A 164 1.635 6.099 12.724 1.00 18.18 N ATOM 1581 CA ASP A 164 3.007 6.190 12.214 1.00 16.78 C ATOM 1582 C ASP A 164 3.220 5.312 11.003 1.00 15.66 C ATOM 1583 O ASP A 164 2.752 4.169 10.961 1.00 16.11 O ATOM 1584 CB ASP A 164 4.022 5.782 13.273 1.00 17.40 C ATOM 1585 CG ASP A 164 4.147 6.787 14.373 1.00 18.51 C ATOM 1586 OD1 ASP A 164 3.685 7.943 14.229 1.00 18.62 O ATOM 1587 OD2 ASP A 164 4.740 6.428 15.393 1.00 19.60 O ATOM 1588 H ASP A 164 1.423 5.437 13.498 1.00 0.00 H ATOM 1589 N THR A 165 3.932 5.860 10.023 1.00 14.38 N ATOM 1590 CA THR A 165 4.410 5.094 8.867 1.00 13.56 C ATOM 1591 C THR A 165 5.865 4.701 8.977 1.00 13.15 C ATOM 1592 O THR A 165 6.265 3.746 8.317 1.00 12.85 O ATOM 1593 CB THR A 165 4.232 5.873 7.561 1.00 12.75 C ATOM 1594 OG1 THR A 165 4.747 7.201 7.742 1.00 12.38 O ATOM 1595 CG2 THR A 165 2.741 5.909 7.186 1.00 13.40 C ATOM 1596 HG1 THR A 165 4.637 7.714 6.902 1.00 0.00 H ATOM 1597 H THR A 165 4.159 6.873 10.078 1.00 0.00 H ATOM 1598 N ILE A 166 6.642 5.444 9.780 1.00 13.41 N ATOM 1599 CA ILE A 166 8.070 5.203 9.990 1.00 13.40 C ATOM 1600 C ILE A 166 8.367 5.243 11.491 1.00 14.66 C ATOM 1601 O ILE A 166 8.059 6.237 12.162 1.00 15.05 O ATOM 1602 CB ILE A 166 8.950 6.260 9.286 1.00 12.68 C ATOM 1603 CG1 ILE A 166 8.639 6.309 7.790 1.00 11.85 C ATOM 1604 CG2 ILE A 166 10.437 5.955 9.504 1.00 12.87 C ATOM 1605 CD1 ILE A 166 9.364 7.393 7.033 1.00 11.40 C ATOM 1606 H ILE A 166 6.202 6.240 10.284 1.00 0.00 H ATOM 1607 N VAL A 167 8.970 4.164 11.997 1.00 15.51 N ATOM 1608 CA VAL A 167 9.307 4.027 13.417 1.00 17.17 C ATOM 1609 C VAL A 167 10.780 3.617 13.540 1.00 17.68 C ATOM 1610 O VAL A 167 11.129 2.494 13.157 1.00 17.48 O ATOM 1611 CB VAL A 167 8.405 2.967 14.100 1.00 18.18 C ATOM 1612 CG1 VAL A 167 8.766 2.782 15.574 1.00 19.94 C ATOM 1613 CG2 VAL A 167 6.939 3.354 13.968 1.00 18.27 C ATOM 1614 H VAL A 167 9.212 3.384 11.353 1.00 0.00 H ATOM 1615 N PRO A 168 11.648 4.507 14.086 1.00 18.67 N ATOM 1616 CA PRO A 168 13.044 4.140 14.355 1.00 19.67 C ATOM 1617 C PRO A 168 13.165 2.849 15.148 1.00 21.23 C ATOM 1618 O PRO A 168 12.322 2.578 16.006 1.00 22.19 O ATOM 1619 CB PRO A 168 13.563 5.312 15.181 1.00 20.61 C ATOM 1620 CG PRO A 168 12.749 6.465 14.720 1.00 19.66 C ATOM 1621 CD PRO A 168 11.382 5.906 14.459 1.00 18.99 C ATOM 1622 N LYS A 169 14.189 2.058 14.845 1.00 21.90 N ATOM 1623 CA LYS A 169 14.308 0.709 15.409 1.00 23.34 C ATOM 1624 C LYS A 169 15.003 0.615 16.765 1.00 25.69 C ATOM 1625 O LYS A 169 14.870 -0.408 17.431 1.00 26.82 O ATOM 1626 CB LYS A 169 15.006 -0.216 14.416 1.00 22.87 C ATOM 1627 CG LYS A 169 14.105 -0.671 13.287 1.00 21.57 C ATOM 1628 CD LYS A 169 14.669 -1.917 12.631 1.00 21.71 C ATOM 1629 CE LYS A 169 13.664 -2.554 11.697 1.00 20.90 C ATOM 1630 NZ LYS A 169 14.206 -3.854 11.210 1.00 21.35 N ATOM 1631 HZ1 LYS A 169 15.099 -3.688 10.703 1.00 0.00 H ATOM 1632 HZ2 LYS A 169 14.378 -4.482 12.021 1.00 0.00 H ATOM 1633 HZ3 LYS A 169 13.518 -4.296 10.567 1.00 0.00 H ATOM 1634 H LYS A 169 14.922 2.403 14.193 1.00 0.00 H ATOM 1635 N TYR A 170 15.730 1.662 17.163 1.00 26.72 N ATOM 1636 CA TYR A 170 16.546 1.641 18.384 1.00 29.37 C ATOM 1637 C TYR A 170 16.672 3.039 18.987 1.00 30.84 C ATOM 1638 O TYR A 170 16.362 4.040 18.342 1.00 29.65 O ATOM 1639 CB TYR A 170 17.948 1.055 18.099 1.00 29.65 C ATOM 1640 CG TYR A 170 18.690 1.734 16.960 1.00 28.21 C ATOM 1641 CD1 TYR A 170 19.365 2.945 17.153 1.00 28.72 C ATOM 1642 CD2 TYR A 170 18.712 1.171 15.682 1.00 26.54 C ATOM 1643 CE1 TYR A 170 20.038 3.568 16.112 1.00 27.81 C ATOM 1644 CE2 TYR A 170 19.379 1.787 14.630 1.00 25.64 C ATOM 1645 CZ TYR A 170 20.036 2.985 14.844 1.00 26.31 C ATOM 1646 OH TYR A 170 20.700 3.593 13.808 1.00 25.67 O ATOM 1647 HH TYR A 170 21.112 4.434 14.130 1.00 0.00 H ATOM 1648 H TYR A 170 15.718 2.527 16.585 1.00 0.00 H ATOM 1649 N GLU A 171 17.158 3.083 20.222 1.00 34.15 N ATOM 1650 CA GLU A 171 17.369 4.330 20.955 1.00 36.24 C ATOM 1651 C GLU A 171 18.737 4.961 20.657 1.00 37.32 C ATOM 1652 O GLU A 171 19.719 4.261 20.436 1.00 37.99 O ATOM 1653 CB GLU A 171 17.215 4.088 22.464 1.00 39.10 C ATOM 1654 CG GLU A 171 15.820 3.624 22.855 1.00 39.23 C ATOM 1655 CD GLU A 171 15.602 3.570 24.357 1.00 42.43 C ATOM 1656 OE1 GLU A 171 16.437 2.982 25.076 1.00 44.48 O ATOM 1657 OE2 GLU A 171 14.579 4.117 24.816 1.00 43.26 O ATOM 1658 H GLU A 171 17.400 2.187 20.691 1.00 0.00 H ATOM 1659 N VAL A 172 18.758 6.293 20.640 1.00 38.07 N ATOM 1660 CA VAL A 172 19.953 7.121 20.432 1.00 39.37 C ATOM 1661 C VAL A 172 20.002 8.105 21.605 1.00 41.99 C ATOM 1662 O VAL A 172 19.176 9.023 21.674 1.00 41.73 O ATOM 1663 CB VAL A 172 19.862 7.897 19.089 1.00 37.31 C ATOM 1664 CG1 VAL A 172 20.897 9.025 18.994 1.00 38.34 C ATOM 1665 CG2 VAL A 172 20.008 6.938 17.912 1.00 35.58 C ATOM 1666 H VAL A 172 17.854 6.787 20.786 1.00 0.00 H ATOM 1667 N ASN A 173 20.942 7.893 22.526 1.00 44.85 N ATOM 1668 CA ASN A 173 21.113 8.735 23.726 1.00 47.70 C ATOM 1669 C ASN A 173 19.932 8.545 24.694 1.00 48.66 C ATOM 1670 O ASN A 173 19.290 9.512 25.117 1.00 49.38 O ATOM 1671 CB ASN A 173 21.297 10.214 23.340 1.00 47.40 C ATOM 1672 H ASN A 173 21.590 7.091 22.392 1.00 0.00 H ATOM 1673 N GLY A 174 19.641 7.280 25.012 1.00 48.77 N ATOM 1674 CA GLY A 174 18.468 6.906 25.819 1.00 49.19 C ATOM 1675 C GLY A 174 17.074 7.048 25.190 1.00 46.36 C ATOM 1676 O GLY A 174 16.099 6.566 25.769 1.00 47.07 O ATOM 1677 H GLY A 174 20.272 6.526 24.674 1.00 0.00 H ATOM 1678 N VAL A 175 16.966 7.670 24.013 1.00 43.32 N ATOM 1679 CA VAL A 175 15.669 8.089 23.452 1.00 40.97 C ATOM 1680 C VAL A 175 15.501 7.641 22.008 1.00 37.56 C ATOM 1681 O VAL A 175 16.479 7.568 21.268 1.00 36.68 O ATOM 1682 CB VAL A 175 15.525 9.623 23.467 1.00 41.15 C ATOM 1683 H VAL A 175 17.831 7.866 23.471 1.00 0.00 H ATOM 1684 N LYS A 176 14.260 7.345 21.617 1.00 35.66 N ATOM 1685 CA LYS A 176 13.919 7.107 20.215 1.00 32.66 C ATOM 1686 C LYS A 176 14.223 8.394 19.446 1.00 30.93 C ATOM 1687 O LYS A 176 13.734 9.456 19.830 1.00 31.51 O ATOM 1688 CB LYS A 176 12.439 6.749 20.072 1.00 32.09 C ATOM 1689 H LYS A 176 13.509 7.281 22.334 1.00 0.00 H ATOM 1690 N PRO A 177 15.065 8.321 18.396 1.00 28.89 N ATOM 1691 CA PRO A 177 15.461 9.581 17.763 1.00 27.85 C ATOM 1692 C PRO A 177 14.295 10.266 17.046 1.00 25.81 C ATOM 1693 O PRO A 177 13.564 9.593 16.320 1.00 24.40 O ATOM 1694 CB PRO A 177 16.544 9.157 16.761 1.00 27.09 C ATOM 1695 CG PRO A 177 16.283 7.720 16.506 1.00 26.65 C ATOM 1696 CD PRO A 177 15.762 7.170 17.801 1.00 28.22 C ATOM 1697 N PRO A 178 14.108 11.585 17.263 1.00 25.71 N ATOM 1698 CA PRO A 178 13.097 12.292 16.470 1.00 24.02 C ATOM 1699 C PRO A 178 13.454 12.334 14.982 1.00 21.84 C ATOM 1700 O PRO A 178 14.633 12.419 14.630 1.00 21.87 O ATOM 1701 CB PRO A 178 13.090 13.708 17.069 1.00 25.20 C ATOM 1702 CG PRO A 178 14.394 13.852 17.764 1.00 26.90 C ATOM 1703 CD PRO A 178 14.791 12.482 18.218 1.00 27.54 C ATOM 1704 N ILE A 179 12.433 12.283 14.127 1.00 20.13 N ATOM 1705 CA ILE A 179 12.609 12.307 12.663 1.00 18.31 C ATOM 1706 C ILE A 179 11.656 13.318 12.016 1.00 17.43 C ATOM 1707 O ILE A 179 10.545 13.545 12.503 1.00 17.63 O ATOM 1708 CB ILE A 179 12.403 10.912 12.025 1.00 17.43 C ATOM 1709 CG1 ILE A 179 11.103 10.248 12.521 1.00 17.58 C ATOM 1710 CG2 ILE A 179 13.590 10.013 12.337 1.00 18.08 C ATOM 1711 CD1 ILE A 179 10.623 9.082 11.677 1.00 16.67 C ATOM 1712 H ILE A 179 11.468 12.224 14.510 1.00 0.00 H ATOM 1713 N GLY A 180 12.105 13.917 10.914 1.00 16.53 N ATOM 1714 CA GLY A 180 11.275 14.810 10.106 1.00 15.77 C ATOM 1715 C GLY A 180 11.489 16.286 10.340 1.00 16.27 C ATOM 1716 O GLY A 180 10.651 17.079 9.936 1.00 16.04 O ATOM 1717 H GLY A 180 13.086 13.742 10.616 1.00 0.00 H ATOM 1718 N GLN A 181 12.606 16.660 10.970 1.00 17.10 N ATOM 1719 CA GLN A 181 12.892 18.070 11.243 1.00 17.84 C ATOM 1720 C GLN A 181 13.026 18.876 9.941 1.00 17.14 C ATOM 1721 O GLN A 181 13.618 18.410 8.969 1.00 16.40 O ATOM 1722 CB GLN A 181 14.137 18.223 12.137 1.00 19.14 C ATOM 1723 CG GLN A 181 15.482 17.833 11.519 1.00 19.08 C ATOM 1724 CD GLN A 181 16.159 18.956 10.746 1.00 19.19 C ATOM 1725 OE1 GLN A 181 15.801 20.127 10.883 1.00 19.44 O ATOM 1726 NE2 GLN A 181 17.134 18.595 9.913 1.00 18.99 N ATOM 1727 HE22 GLN A 181 17.403 17.594 9.830 1.00 0.00 H ATOM 1728 HE21 GLN A 181 17.626 19.314 9.346 1.00 0.00 H ATOM 1729 H GLN A 181 13.287 15.935 11.273 1.00 0.00 H ATOM 1730 N ARG A 182 12.455 20.076 9.933 1.00 17.49 N ATOM 1731 CA ARG A 182 12.569 20.982 8.788 1.00 17.23 C ATOM 1732 C ARG A 182 12.956 22.371 9.263 1.00 18.71 C ATOM 1733 O ARG A 182 12.324 23.378 8.917 1.00 18.69 O ATOM 1734 CB ARG A 182 11.271 20.980 7.974 1.00 16.12 C ATOM 1735 CG ARG A 182 10.959 19.647 7.324 1.00 15.05 C ATOM 1736 CD ARG A 182 11.899 19.370 6.160 1.00 14.59 C ATOM 1737 NE ARG A 182 11.522 18.154 5.443 1.00 13.76 N ATOM 1738 CZ ARG A 182 11.794 16.912 5.844 1.00 13.52 C ATOM 1739 NH1 ARG A 182 12.465 16.681 6.980 1.00 14.00 N ATOM 1740 NH2 ARG A 182 11.397 15.886 5.096 1.00 12.90 N ATOM 1741 HE ARG A 182 11.001 18.266 4.550 1.00 0.00 H ATOM 1742 HH12 ARG A 182 12.667 15.704 7.275 1.00 0.00 H ATOM 1743 HH11 ARG A 182 12.784 17.478 7.567 1.00 0.00 H ATOM 1744 HH22 ARG A 182 11.603 14.912 5.398 1.00 0.00 H ATOM 1745 HH21 ARG A 182 10.881 16.058 4.210 1.00 0.00 H ATOM 1746 H ARG A 182 11.911 20.381 10.765 1.00 0.00 H ATOM 1747 N THR A 183 14.015 22.402 10.067 1.00 20.29 N ATOM 1748 CA THR A 183 14.502 23.617 10.697 1.00 22.17 C ATOM 1749 C THR A 183 15.822 24.029 10.073 1.00 23.11 C ATOM 1750 O THR A 183 15.959 25.170 9.641 1.00 23.45 O ATOM 1751 CB THR A 183 14.652 23.426 12.217 1.00 23.61 C ATOM 1752 OG1 THR A 183 13.456 22.822 12.715 1.00 23.40 O ATOM 1753 CG2 THR A 183 14.849 24.756 12.934 1.00 25.26 C ATOM 1754 HG1 THR A 183 13.536 22.692 13.693 1.00 0.00 H ATOM 1755 H THR A 183 14.520 21.512 10.254 1.00 0.00 H ATOM 1756 N ARG A 184 16.778 23.102 10.026 1.00 23.77 N ATOM 1757 CA ARG A 184 18.096 23.356 9.438 1.00 25.06 C ATOM 1758 C ARG A 184 18.771 22.075 8.960 1.00 24.65 C ATOM 1759 O ARG A 184 18.324 20.961 9.268 1.00 24.01 O ATOM 1760 CB ARG A 184 19.008 24.055 10.455 1.00 27.68 C ATOM 1761 CG ARG A 184 19.406 23.208 11.664 1.00 29.11 C ATOM 1762 CD ARG A 184 20.116 24.049 12.715 1.00 31.92 C ATOM 1763 NE ARG A 184 19.207 25.021 13.342 1.00 32.74 N ATOM 1764 CZ ARG A 184 18.605 24.895 14.534 1.00 33.84 C ATOM 1765 NH1 ARG A 184 17.795 25.870 14.960 1.00 34.38 N ATOM 1766 NH2 ARG A 184 18.794 23.824 15.314 1.00 34.51 N ATOM 1767 HE ARG A 184 19.012 25.892 12.808 1.00 0.00 H ATOM 1768 HH12 ARG A 184 17.321 25.787 15.882 1.00 0.00 H ATOM 1769 HH11 ARG A 184 17.639 26.712 14.369 1.00 0.00 H ATOM 1770 HH22 ARG A 184 18.311 23.758 16.233 1.00 0.00 H ATOM 1771 HH21 ARG A 184 19.423 23.057 15.001 1.00 0.00 H ATOM 1772 H ARG A 184 16.581 22.161 10.422 1.00 0.00 H ATOM 1773 N LEU A 185 19.864 22.254 8.226 1.00 25.18 N ATOM 1774 CA LEU A 185 20.680 21.153 7.764 1.00 25.15 C ATOM 1775 C LEU A 185 21.332 20.505 8.957 1.00 26.12 C ATOM 1776 O LEU A 185 21.883 21.196 9.818 1.00 27.78 O ATOM 1777 CB LEU A 185 21.783 21.625 6.812 1.00 26.25 C ATOM 1778 CG LEU A 185 21.360 22.111 5.429 1.00 25.52 C ATOM 1779 CD1 LEU A 185 22.551 22.748 4.728 1.00 27.27 C ATOM 1780 CD2 LEU A 185 20.796 20.990 4.579 1.00 24.09 C ATOM 1781 H LEU A 185 20.144 23.223 7.974 1.00 0.00 H ATOM 1782 N SER A 186 21.267 19.179 9.003 1.00 25.11 N ATOM 1783 CA SER A 186 21.934 18.418 10.043 1.00 26.08 C ATOM 1784 C SER A 186 23.443 18.394 9.860 1.00 27.81 C ATOM 1785 O SER A 186 23.972 18.715 8.792 1.00 27.96 O ATOM 1786 CB SER A 186 21.423 16.975 10.051 1.00 24.84 C ATOM 1787 OG SER A 186 21.830 16.279 8.884 1.00 24.10 O ATOM 1788 HG SER A 186 21.486 15.351 8.917 1.00 0.00 H ATOM 1789 H SER A 186 20.724 18.673 8.275 1.00 0.00 H ATOM 1790 N LYS A 187 24.116 17.960 10.921 1.00 29.31 N ATOM 1791 CA LYS A 187 25.541 17.643 10.881 1.00 31.22 C ATOM 1792 C LYS A 187 25.781 16.663 9.718 1.00 30.19 C ATOM 1793 O LYS A 187 26.639 16.894 8.863 1.00 31.14 O ATOM 1794 CB LYS A 187 25.971 17.041 12.236 1.00 32.81 C ATOM 1795 CG LYS A 187 27.465 16.951 12.464 1.00 35.54 C ATOM 1796 H LYS A 187 23.605 17.841 11.819 1.00 0.00 H ATOM 1797 N GLY A 188 24.973 15.601 9.675 1.00 28.37 N ATOM 1798 CA GLY A 188 25.010 14.613 8.594 1.00 27.32 C ATOM 1799 C GLY A 188 24.778 15.146 7.185 1.00 26.34 C ATOM 1800 O GLY A 188 25.452 14.720 6.245 1.00 26.83 O ATOM 1801 H GLY A 188 24.286 15.469 10.444 1.00 0.00 H ATOM 1802 N ASP A 189 23.823 16.064 7.030 1.00 25.05 N ATOM 1803 CA ASP A 189 23.544 16.681 5.723 1.00 24.43 C ATOM 1804 C ASP A 189 24.772 17.456 5.223 1.00 26.56 C ATOM 1805 O ASP A 189 25.120 17.405 4.044 1.00 26.92 O ATOM 1806 CB ASP A 189 22.352 17.659 5.792 1.00 23.04 C ATOM 1807 CG ASP A 189 21.000 16.970 6.021 1.00 21.06 C ATOM 1808 OD1 ASP A 189 20.772 15.858 5.505 1.00 20.06 O ATOM 1809 OD2 ASP A 189 20.149 17.572 6.723 1.00 20.39 O ATOM 1810 H ASP A 189 23.260 16.352 7.856 1.00 0.00 H ATOM 1811 N ILE A 190 25.413 18.182 6.131 1.00 28.32 N ATOM 1812 CA ILE A 190 26.598 18.969 5.798 1.00 30.72 C ATOM 1813 C ILE A 190 27.763 18.039 5.476 1.00 32.48 C ATOM 1814 O ILE A 190 28.381 18.164 4.414 1.00 33.45 O ATOM 1815 CB ILE A 190 26.933 19.966 6.933 1.00 32.12 C ATOM 1816 CG1 ILE A 190 25.850 21.054 6.984 1.00 30.91 C ATOM 1817 CG2 ILE A 190 28.310 20.602 6.745 1.00 34.85 C ATOM 1818 CD1 ILE A 190 25.677 21.695 8.342 1.00 31.66 C ATOM 1819 H ILE A 190 25.061 18.191 7.109 1.00 0.00 H ATOM 1820 N ALA A 191 28.036 17.094 6.375 1.00 33.12 N ATOM 1821 CA ALA A 191 29.131 16.145 6.168 1.00 35.03 C ATOM 1822 C ALA A 191 28.971 15.400 4.848 1.00 34.46 C ATOM 1823 O ALA A 191 29.942 15.240 4.114 1.00 36.18 O ATOM 1824 CB ALA A 191 29.235 15.160 7.327 1.00 35.26 C ATOM 1825 H ALA A 191 27.461 17.030 7.239 1.00 0.00 H ATOM 1826 N GLN A 192 27.744 14.975 4.533 1.00 32.45 N ATOM 1827 CA GLN A 192 27.502 14.221 3.299 1.00 32.07 C ATOM 1828 C GLN A 192 27.582 15.108 2.052 1.00 32.53 C ATOM 1829 O GLN A 192 28.081 14.671 1.011 1.00 33.54 O ATOM 1830 CB GLN A 192 26.172 13.454 3.360 1.00 30.05 C ATOM 1831 CG GLN A 192 26.093 12.308 2.358 1.00 30.04 C ATOM 1832 CD GLN A 192 24.880 11.410 2.559 1.00 28.13 C ATOM 1833 OE1 GLN A 192 23.741 11.859 2.476 1.00 26.88 O ATOM 1834 NE2 GLN A 192 25.128 10.120 2.796 1.00 28.49 N ATOM 1835 HE22 GLN A 192 26.110 9.782 2.859 1.00 0.00 H ATOM 1836 HE21 GLN A 192 24.340 9.453 2.918 1.00 0.00 H ATOM 1837 H GLN A 192 26.950 15.182 5.172 1.00 0.00 H ATOM 1838 N ALA A 193 27.106 16.348 2.162 1.00 32.05 N ATOM 1839 CA ALA A 193 27.236 17.329 1.080 1.00 32.84 C ATOM 1840 C ALA A 193 28.697 17.703 0.809 1.00 35.83 C ATOM 1841 O ALA A 193 29.105 17.820 -0.355 1.00 36.86 O ATOM 1842 CB ALA A 193 26.433 18.582 1.397 1.00 31.86 C ATOM 1843 H ALA A 193 26.628 16.628 3.042 1.00 0.00 H ATOM 1844 N ARG A 194 29.472 17.901 1.877 1.00 37.38 N ATOM 1845 CA ARG A 194 30.907 18.191 1.740 1.00 40.69 C ATOM 1846 C ARG A 194 31.654 17.061 1.019 1.00 42.14 C ATOM 1847 O ARG A 194 32.472 17.327 0.138 1.00 44.21 O ATOM 1848 CB ARG A 194 31.557 18.485 3.095 1.00 42.14 C ATOM 1849 CG ARG A 194 31.253 19.872 3.633 1.00 42.23 C ATOM 1850 CD ARG A 194 31.989 20.132 4.937 1.00 44.24 C ATOM 1851 NE ARG A 194 31.412 21.255 5.684 1.00 43.87 N ATOM 1852 CZ ARG A 194 31.796 21.643 6.901 1.00 45.39 C ATOM 1853 NH1 ARG A 194 32.779 21.012 7.543 1.00 47.54 N ATOM 1854 NH2 ARG A 194 31.189 22.676 7.486 1.00 44.94 N ATOM 1855 HE ARG A 194 30.644 21.790 5.230 1.00 0.00 H ATOM 1856 HH12 ARG A 194 33.067 21.327 8.492 1.00 0.00 H ATOM 1857 HH11 ARG A 194 33.258 20.205 7.095 1.00 0.00 H ATOM 1858 HH22 ARG A 194 31.484 22.983 8.435 1.00 0.00 H ATOM 1859 HH21 ARG A 194 30.421 23.175 6.994 1.00 0.00 H ATOM 1860 H ARG A 194 29.052 17.849 2.827 1.00 0.00 H ATOM 1861 N LYS A 195 31.348 15.813 1.381 1.00 41.18 N ATOM 1862 CA LYS A 195 31.923 14.640 0.702 1.00 42.47 C ATOM 1863 C LYS A 195 31.537 14.547 -0.773 1.00 42.09 C ATOM 1864 O LYS A 195 32.413 14.348 -1.618 1.00 44.29 O ATOM 1865 CB LYS A 195 31.531 13.346 1.407 1.00 41.38 C ATOM 1866 CG LYS A 195 32.212 13.149 2.747 1.00 42.89 C ATOM 1867 CD LYS A 195 31.554 12.020 3.529 1.00 41.46 C ATOM 1868 CE LYS A 195 32.315 11.737 4.814 1.00 43.35 C ATOM 1869 NZ LYS A 195 31.943 10.433 5.430 1.00 42.48 N ATOM 1870 HZ1 LYS A 195 30.928 10.434 5.655 1.00 0.00 H ATOM 1871 HZ2 LYS A 195 32.150 9.664 4.762 1.00 0.00 H ATOM 1872 HZ3 LYS A 195 32.493 10.294 6.302 1.00 0.00 H ATOM 1873 H LYS A 195 30.683 15.665 2.167 1.00 0.00 H ATOM 1874 N LEU A 196 30.247 14.708 -1.081 1.00 39.54 N ATOM 1875 CA LEU A 196 29.760 14.596 -2.468 1.00 39.36 C ATOM 1876 C LEU A 196 30.354 15.642 -3.407 1.00 41.52 C ATOM 1877 O LEU A 196 30.549 15.358 -4.587 1.00 42.87 O ATOM 1878 CB LEU A 196 28.225 14.663 -2.537 1.00 36.53 C ATOM 1879 CG LEU A 196 27.552 14.564 -3.926 1.00 36.24 C ATOM 1880 CD1 LEU A 196 27.895 13.269 -4.648 1.00 37.11 C ATOM 1881 CD2 LEU A 196 26.039 14.707 -3.806 1.00 33.61 C ATOM 1882 H LEU A 196 29.568 14.918 -0.322 1.00 0.00 H ATOM 1883 N TYR A 197 30.623 16.840 -2.887 1.00 42.14 N ATOM 1884 CA TYR A 197 31.215 17.929 -3.674 1.00 44.37 C ATOM 1885 C TYR A 197 32.699 18.174 -3.385 1.00 47.83 C ATOM 1886 O TYR A 197 33.275 19.121 -3.911 1.00 49.83 O ATOM 1887 CB TYR A 197 30.382 19.206 -3.492 1.00 42.81 C ATOM 1888 CG TYR A 197 29.083 19.123 -4.259 1.00 40.50 C ATOM 1889 CD1 TYR A 197 27.929 18.583 -3.681 1.00 37.53 C ATOM 1890 CD2 TYR A 197 29.023 19.529 -5.590 1.00 41.51 C ATOM 1891 CE1 TYR A 197 26.746 18.488 -4.404 1.00 35.76 C ATOM 1892 CE2 TYR A 197 27.849 19.436 -6.314 1.00 39.80 C ATOM 1893 CZ TYR A 197 26.720 18.916 -5.727 1.00 36.94 C ATOM 1894 OH TYR A 197 25.585 18.848 -6.491 1.00 35.59 O ATOM 1895 HH TYR A 197 24.850 18.458 -5.954 1.00 0.00 H ATOM 1896 H TYR A 197 30.405 17.010 -1.884 1.00 0.00 H ATOM 1897 N LYS A 198 33.308 17.316 -2.562 1.00 48.82 N ATOM 1898 CA LYS A 198 34.763 17.297 -2.339 1.00 52.52 C ATOM 1899 C LYS A 198 35.253 18.651 -1.841 1.00 54.38 C ATOM 1900 O LYS A 198 36.237 19.210 -2.342 1.00 57.33 O ATOM 1901 CB LYS A 198 35.490 16.864 -3.619 1.00 55.11 C ATOM 1902 CG LYS A 198 34.958 15.551 -4.182 1.00 53.79 C ATOM 1903 CD LYS A 198 35.538 15.220 -5.543 1.00 56.38 C ATOM 1904 CE LYS A 198 34.788 14.049 -6.163 1.00 54.81 C ATOM 1905 NZ LYS A 198 35.368 13.673 -7.479 1.00 57.59 N ATOM 1906 HZ1 LYS A 198 35.310 14.485 -8.127 1.00 0.00 H ATOM 1907 HZ2 LYS A 198 36.363 13.400 -7.352 1.00 0.00 H ATOM 1908 HZ3 LYS A 198 34.835 12.873 -7.875 1.00 0.00 H ATOM 1909 H LYS A 198 32.723 16.624 -2.051 1.00 0.00 H ATOM 1910 N CYS A 199 34.534 19.171 -0.849 1.00 52.80 N ATOM 1911 CA CYS A 199 34.750 20.525 -0.362 1.00 54.20 C ATOM 1912 C CYS A 199 36.036 20.594 0.463 1.00 57.68 C ATOM 1913 O CYS A 199 36.276 19.709 1.289 1.00 57.69 O ATOM 1914 CB CYS A 199 33.556 20.982 0.471 1.00 51.15 C ATOM 1915 SG CYS A 199 31.991 20.979 -0.448 1.00 47.77 S ATOM 1916 H CYS A 199 33.793 18.590 -0.407 1.00 0.00 H ATOM 1917 N PRO A 200 36.875 21.626 0.227 1.00 61.08 N ATOM 1918 CA PRO A 200 38.107 21.790 1.015 1.00 64.73 C ATOM 1919 C PRO A 200 37.853 21.815 2.529 1.00 64.20 C ATOM 1920 O PRO A 200 36.937 22.501 2.983 1.00 62.36 O ATOM 1921 CB PRO A 200 38.651 23.146 0.548 1.00 67.16 C ATOM 1922 CG PRO A 200 38.093 23.344 -0.815 1.00 66.10 C ATOM 1923 CD PRO A 200 36.789 22.605 -0.877 1.00 61.95 C ATOM 1924 N ALA A 201 38.643 21.050 3.285 1.00 66.26 N ATOM 1925 CA ALA A 201 38.581 21.065 4.750 1.00 66.33 C ATOM 1926 C ALA A 201 39.213 22.345 5.291 1.00 69.14 C ATOM 1927 O ALA A 201 38.525 23.175 5.906 1.00 68.08 O ATOM 1928 CB ALA A 201 39.287 19.849 5.330 1.00 67.79 C ATOM 1929 H ALA A 201 39.327 20.421 2.818 1.00 0.00 H TER 1930 ALA A 201 HETATM 1931 ZN ZN A 1 11.549 15.335 -0.824 1.00 11.88 ZN HETATM 1932 ZN ZN A 2 22.261 13.252 6.188 1.00 78.57 ZN HETATM 1933 O HOH 3 17.146 12.538 15.426 1.00 22.19 O HETATM 1934 O HOH 4 23.778 1.014 8.156 1.00 19.67 O HETATM 1935 O HOH 5 6.940 39.905 -5.845 1.00 14.56 O HETATM 1936 O HOH 6 13.394 10.187 4.449 1.00 12.91 O HETATM 1937 O HOH 7 -2.599 0.674 12.099 1.00 26.18 O HETATM 1938 O HOH 8 21.062 8.622 -7.901 1.00 29.34 O HETATM 1939 O HOH 9 12.279 -1.873 7.781 1.00 19.26 O HETATM 1940 O HOH 10 22.959 4.786 14.146 1.00 27.10 O HETATM 1941 O HOH 11 4.206 35.692 1.001 1.00 22.67 O HETATM 1942 O HOH 12 -0.624 7.351 18.026 1.00 25.84 O HETATM 1943 O HOH 13 14.053 -1.210 -3.929 1.00 30.19 O HETATM 1944 O HOH 14 9.360 18.720 0.541 1.00 25.03 O HETATM 1945 O HOH 15 7.976 18.385 -4.123 1.00 25.14 O HETATM 1946 O HOH 16 1.877 9.828 14.676 1.00 22.79 O HETATM 1947 O HOH 17 2.849 33.925 -4.211 1.00 36.67 O HETATM 1948 O HOH 18 8.978 16.637 7.932 1.00 26.49 O HETATM 1949 O HOH 19 10.951 0.168 14.661 1.00 31.65 O HETATM 1950 O HOH 20 8.744 10.464 -2.626 1.00 28.27 O HETATM 1951 O HOH 21 -2.554 -0.057 -1.855 1.00 11.14 O HETATM 1952 O HOH 22 25.268 35.721 -2.225 1.00 22.96 O HETATM 1953 O HOH 23 -3.301 9.728 -0.850 1.00 29.76 O HETATM 1954 O HOH 24 13.018 19.351 -10.536 1.00 32.28 O HETATM 1955 O HOH 25 17.726 -2.208 4.351 1.00 16.94 O HETATM 1956 O HOH 26 28.647 18.270 9.971 1.00 28.83 O HETATM 1957 O HOH 27 23.280 14.420 11.433 1.00 21.38 O HETATM 1958 O HOH 28 29.324 32.776 -20.453 1.00 44.97 O HETATM 1959 O HOH 29 6.579 13.251 17.687 1.00 26.18 O HETATM 1960 O HOH 30 18.355 -3.165 13.299 1.00 22.45 O HETATM 1961 O HOH 31 27.889 23.531 -12.499 1.00 36.08 O HETATM 1962 O HOH 32 12.150 5.127 -3.616 1.00 32.87 O HETATM 1963 O HOH 33 19.649 11.883 1.716 1.00 25.42 O HETATM 1964 O HOH 34 10.502 8.804 -1.149 1.00 7.68 O HETATM 1965 O HOH 35 18.708 -2.993 0.198 1.00 35.18 O HETATM 1966 O HOH 36 2.032 13.275 4.604 1.00 18.52 O HETATM 1967 O HOH 37 5.784 38.193 -10.525 1.00 32.63 O HETATM 1968 O HOH 38 14.594 27.238 10.754 1.00 33.43 O HETATM 1969 O HOH 39 9.639 26.632 -14.441 1.00 43.01 O HETATM 1970 O HOH 40 21.483 10.094 -13.571 1.00 38.31 O HETATM 1971 O HOH 41 8.056 12.775 13.298 1.00 17.14 O HETATM 1972 O HOH 42 -5.689 6.667 -1.417 1.00 25.23 O HETATM 1973 O HOH 43 18.014 -1.485 -1.969 1.00 18.52 O HETATM 1974 O HOH 44 7.674 12.924 -0.772 1.00 17.29 O HETATM 1975 O HOH 45 6.460 31.094 -11.107 1.00 32.12 O HETATM 1976 O HOH 46 24.359 3.979 10.142 1.00 32.22 O HETATM 1977 O HOH 47 8.929 31.210 0.205 1.00 36.29 O HETATM 1978 O HOH 48 6.924 20.690 -4.487 1.00 23.33 O HETATM 1979 O HOH 49 12.062 -1.365 -0.333 1.00 12.02 O HETATM 1980 O HOH 50 11.404 -2.348 3.485 1.00 11.59 O HETATM 1981 O HOH 51 14.749 14.500 10.334 1.00 11.60 O HETATM 1982 O HOH 52 9.049 20.326 -6.716 1.00 25.23 O HETATM 1983 O HOH 53 -8.325 2.152 2.843 1.00 36.08 O HETATM 1984 O HOH 54 10.056 30.454 6.113 1.00 18.26 O HETATM 1985 O HOH 55 20.213 31.578 5.507 1.00 27.54 O HETATM 1986 O HOH 56 10.536 21.111 11.682 1.00 28.09 O HETATM 1987 O HOH 57 8.914 36.584 -8.161 1.00 33.85 O HETATM 1988 O HOH 58 14.687 15.104 13.832 1.00 24.32 O HETATM 1989 O HOH 59 -2.265 11.814 7.717 1.00 27.84 O HETATM 1990 O HOH 60 2.423 2.837 -4.265 1.00 17.32 O HETATM 1991 O HOH 61 9.815 18.640 3.230 1.00 12.76 O HETATM 1992 O HOH 62 1.813 15.540 12.226 1.00 27.84 O HETATM 1993 O HOH 63 22.500 23.936 10.234 1.00 33.34 O HETATM 1994 O HOH 64 -0.110 -0.561 1.986 1.00 28.64 O HETATM 1995 O HOH 65 4.551 15.277 11.469 1.00 34.23 O HETATM 1996 O HOH 66 9.620 -2.366 7.841 1.00 23.81 O HETATM 1997 O HOH 67 16.269 2.933 -7.205 1.00 24.69 O HETATM 1998 O HOH 68 0.074 12.565 8.847 1.00 26.92 O HETATM 1999 O HOH 69 9.641 15.406 2.875 1.00 15.94 O HETATM 2000 O HOH 70 3.434 -3.457 11.714 1.00 43.52 O HETATM 2001 O HOH 71 16.708 -5.041 3.574 1.00 42.36 O HETATM 2002 O HOH 72 7.566 6.875 15.017 1.00 21.27 O HETATM 2003 O HOH 73 9.397 15.483 0.141 1.00 15.97 O HETATM 2004 O HOH 74 22.044 35.474 0.264 1.00 19.12 O HETATM 2005 O HOH 75 13.422 -2.087 -6.659 1.00 50.34 O HETATM 2006 O HOH 76 5.134 14.826 6.756 1.00 22.80 O HETATM 2007 O HOH 77 -5.394 12.623 10.476 1.00 21.52 O HETATM 2008 O HOH 78 10.216 -4.129 11.757 1.00 35.54 O HETATM 2009 O HOH 79 14.032 8.884 -2.218 1.00 18.53 O HETATM 2010 O HOH 80 11.079 26.808 8.130 1.00 19.70 O HETATM 2011 O HOH 81 30.065 6.020 -8.191 1.00 43.89 O HETATM 2012 O HOH 82 2.572 37.626 -13.676 1.00 61.20 O HETATM 2013 O HOH 83 3.841 30.617 -12.034 1.00 48.59 O HETATM 2014 O HOH 84 10.959 36.719 4.149 1.00 29.80 O HETATM 2015 O HOH 85 6.417 10.277 20.830 1.00 27.12 O HETATM 2016 O HOH 86 22.548 17.331 13.426 1.00 31.15 O HETATM 2017 O HOH 87 22.477 30.842 -22.681 1.00 53.13 O HETATM 2018 O HOH 88 27.644 32.451 -5.444 1.00 30.94 O HETATM 2019 O HOH 89 1.286 4.046 14.955 1.00 22.97 O HETATM 2020 O HOH 90 25.640 24.012 -14.404 1.00 31.83 O HETATM 2021 O HOH 91 27.704 13.391 10.583 1.00 30.66 O HETATM 2022 O HOH 92 31.067 14.463 -11.003 1.00 35.90 O HETATM 2023 O HOH 93 21.236 10.683 13.286 1.00 27.97 O HETATM 2024 O HOH 94 9.578 11.830 15.277 1.00 16.64 O HETATM 2025 O HOH 95 16.662 0.388 21.724 1.00 31.22 O HETATM 2026 O HOH 96 5.644 25.377 3.975 1.00 33.00 O HETATM 2027 O HOH 97 22.887 3.004 2.390 1.00 29.92 O HETATM 2028 O HOH 98 26.026 25.074 -19.527 1.00 47.21 O HETATM 2029 O HOH 99 17.207 -2.357 18.670 1.00 43.38 O HETATM 2030 O HOH 100 34.262 22.284 -6.361 1.00 40.92 O HETATM 2031 O HOH 101 5.903 -2.670 10.682 1.00 31.28 O HETATM 2032 O HOH 102 30.237 30.565 4.404 1.00 38.23 O HETATM 2033 O HOH 103 25.227 12.683 11.292 1.00 26.66 O HETATM 2034 O HOH 104 4.440 -6.177 -1.715 1.00 47.52 O HETATM 2035 O HOH 105 -7.406 5.557 4.257 1.00 30.65 O HETATM 2036 O HOH 106 0.239 23.917 -2.388 1.00 30.62 O HETATM 2037 O HOH 107 17.146 37.055 -6.212 1.00 32.41 O HETATM 2038 O HOH 108 23.207 5.321 1.340 1.00 24.74 O HETATM 2039 O HOH 109 7.420 32.486 2.717 1.00 30.22 O HETATM 2040 O HOH 110 26.215 34.239 9.111 1.00 6.21 O HETATM 2041 O HOH 111 1.302 -5.166 1.411 1.00 46.14 O HETATM 2042 O HOH 112 0.123 27.646 -5.099 1.00 45.76 O HETATM 2043 O HOH 113 32.172 18.898 -7.337 1.00 46.96 O HETATM 2044 O HOH 114 19.664 17.845 13.495 1.00 39.63 O HETATM 2045 O HOH 115 19.389 20.144 12.650 1.00 41.80 O HETATM 2046 O HOH 116 2.672 38.293 -5.888 1.00 30.65 O HETATM 2047 O HOH 117 10.133 41.432 2.295 1.00 30.80 O HETATM 2048 O HOH 118 9.015 -2.706 4.595 1.00 25.31 O HETATM 2049 O HOH 119 7.885 39.038 -8.981 1.00 42.27 O HETATM 2050 O HOH 120 -0.855 12.877 -3.937 1.00 22.63 O HETATM 2051 O HOH 121 9.586 29.127 8.419 1.00 31.97 O HETATM 2052 O HOH 122 19.234 -2.522 -13.131 1.00 30.54 O HETATM 2053 O HOH 123 6.408 15.072 -1.076 1.00 35.20 O HETATM 2054 O HOH 124 7.588 18.646 4.628 1.00 30.67 O HETATM 2055 O HOH 125 13.752 -0.735 21.311 1.00 45.24 O HETATM 2056 O HOH 126 5.524 23.128 6.027 1.00 34.23 O HETATM 2057 O HOH 127 17.475 -5.272 0.877 1.00 42.45 O HETATM 2058 O HOH 128 -4.105 -1.153 0.392 1.00 27.77 O HETATM 2059 O HOH 129 6.708 19.297 0.403 1.00 31.89 O HETATM 2060 O HOH 130 12.610 -2.790 -2.434 1.00 33.80 O HETATM 2061 O HOH 131 9.188 13.261 17.699 1.00 34.87 O HETATM 2062 O HOH 132 9.709 8.389 -5.229 1.00 30.66 O HETATM 2063 O HOH 133 -0.052 -3.192 2.585 1.00 20.26 O HETATM 2064 O HOH 134 -6.171 7.561 3.491 1.00 26.43 O HETATM 2065 O HOH 135 7.828 31.916 5.266 1.00 34.85 O HETATM 2066 O HOH 136 -7.141 0.321 0.484 1.00 34.14 O HETATM 2067 O HOH 137 11.848 7.837 -3.472 1.00 21.55 O HETATM 2068 O HOH 138 -6.121 7.923 0.854 1.00 27.30 O HETATM 2069 O HOH 139 28.111 20.576 11.419 1.00 34.75 O HETATM 2070 O HOH 140 29.793 14.578 11.744 1.00 41.92 O HETATM 2071 O HOH 141 12.014 30.690 10.026 1.00 26.55 O HETATM 2072 C17 E A 8 8.832 13.491 -4.732 1.00 0.07 C HETATM 2073 C28 E A 8 9.971 13.678 -5.719 1.00 0.19 C HETATM 2074 O29 E A 8 9.941 14.599 -6.517 1.00 -0.40 O HETATM 2075 N30 E A 8 10.999 12.790 -5.719 1.00 -0.25 N HETATM 2076 C31 E A 8 11.263 11.654 -4.805 1.00 0.05 C HETATM 2077 C33 E A 8 12.201 12.150 -3.710 1.00 -0.03 C HETATM 2078 C36 E A 8 13.486 12.449 -4.495 1.00 -0.04 C HETATM 2079 C39 E A 8 13.155 11.952 -5.913 1.00 0.00 C HETATM 2080 C41 E A 8 12.215 10.778 -5.618 1.00 -0.02 C HETATM 2081 H23 E A 8 11.754 10.348 -6.519 1.00 0.03 H HETATM 2082 H24 E A 8 12.685 9.977 -5.029 1.00 0.03 H HETATM 2083 C44 E A 8 12.181 12.944 -6.577 1.00 0.14 C HETATM 2084 C46 E A 8 11.938 12.502 -8.030 1.00 0.21 C HETATM 2085 O47 E A 8 10.864 12.034 -8.401 1.00 -0.39 O HETATM 2086 N48 E A 8 13.015 12.622 -8.820 1.00 -0.26 N HETATM 2087 C50 E A 8 13.088 12.204 -10.215 1.00 0.13 C HETATM 2088 C52 E A 8 14.541 11.918 -10.592 1.00 0.07 C HETATM 2089 O53 E A 8 14.848 11.016 -11.344 1.00 -0.56 O HETATM 2090 O55 E A 8 15.404 12.723 -10.025 1.00 -0.56 O HETATM 2091 C56 E A 8 12.490 13.206 -11.216 1.00 -0.00 C HETATM 2092 C57 E A 8 12.329 12.844 -12.549 1.00 -0.06 C HETATM 2093 C59 E A 8 11.806 13.739 -13.470 1.00 -0.07 C HETATM 2094 C61 E A 8 11.447 15.012 -13.077 1.00 -0.07 C HETATM 2095 C63 E A 8 11.607 15.388 -11.760 1.00 -0.07 C HETATM 2096 C65 E A 8 12.129 14.493 -10.834 1.00 -0.06 C HETATM 2097 H32 E A 8 12.256 14.802 -9.803 1.00 0.06 H HETATM 2098 H31 E A 8 11.324 16.386 -11.446 1.00 0.06 H HETATM 2099 H30 E A 8 11.042 15.712 -13.799 1.00 0.06 H HETATM 2100 H29 E A 8 11.679 13.437 -14.503 1.00 0.06 H HETATM 2101 H28 E A 8 12.616 11.850 -12.872 1.00 0.06 H HETATM 2102 H27 E A 8 12.516 11.269 -10.306 1.00 0.09 H HETATM 2103 H26 E A 8 13.835 13.031 -8.420 1.00 0.19 H HETATM 2104 H25 E A 8 12.559 13.977 -6.559 1.00 0.08 H HETATM 2105 H22 E A 8 14.040 11.714 -6.522 1.00 0.03 H HETATM 2106 H20 E A 8 14.342 11.901 -4.074 1.00 0.03 H HETATM 2107 H21 E A 8 13.706 13.527 -4.496 1.00 0.03 H HETATM 2108 H18 E A 8 12.370 11.375 -2.948 1.00 0.03 H HETATM 2109 H19 E A 8 11.807 13.057 -3.228 1.00 0.03 H HETATM 2110 H17 E A 8 10.355 11.154 -4.437 1.00 0.06 H HETATM 2111 C14 E A 8 7.631 12.827 -5.479 1.00 -0.03 C HETATM 2112 C11 E A 8 6.202 13.350 -5.294 1.00 -0.05 C HETATM 2113 C08 E A 8 5.202 12.301 -4.813 1.00 -0.05 C HETATM 2114 C05 E A 8 3.752 12.657 -5.120 1.00 -0.06 C HETATM 2115 C01 E A 8 2.789 12.226 -4.041 1.00 -0.07 C HETATM 2116 H2 E A 8 1.766 12.513 -4.327 1.00 0.02 H HETATM 2117 H3 E A 8 3.057 12.716 -3.094 1.00 0.02 H HETATM 2118 H4 E A 8 2.842 11.134 -3.917 1.00 0.02 H HETATM 2119 H5 E A 8 3.678 13.748 -5.238 1.00 0.03 H HETATM 2120 H6 E A 8 3.464 12.166 -6.061 1.00 0.03 H HETATM 2121 H7 E A 8 5.437 11.345 -5.304 1.00 0.03 H HETATM 2122 H8 E A 8 5.310 12.191 -3.724 1.00 0.03 H HETATM 2123 H9 E A 8 6.227 14.165 -4.556 1.00 0.03 H HETATM 2124 H10 E A 8 5.851 13.741 -6.260 1.00 0.03 H HETATM 2125 H11 E A 8 7.619 11.770 -5.175 1.00 0.03 H HETATM 2126 H12 E A 8 7.853 12.897 -6.554 1.00 0.03 H HETATM 2127 C19 E A 8 8.486 14.845 -4.088 1.00 0.06 C HETATM 2128 C22 E A 8 9.540 15.292 -3.094 1.00 0.20 C HETATM 2129 O23 E A 8 10.216 14.501 -2.450 1.00 -0.40 O HETATM 2130 N24 E A 8 9.635 16.600 -2.974 1.00 -0.16 N HETATM 2131 O26 E A 8 10.566 17.115 -2.079 1.00 -0.27 O HETATM 2132 H16 E A 8 10.527 18.064 -2.094 1.00 0.25 H HETATM 2133 H15 E A 8 9.052 17.208 -3.513 1.00 0.22 H HETATM 2134 H13 E A 8 7.522 14.753 -3.565 1.00 0.05 H HETATM 2135 H14 E A 8 8.402 15.603 -4.880 1.00 0.05 H HETATM 2136 H1 E A 8 9.158 12.809 -3.933 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 418 417 1915 CONECT 625 624 808 CONECT 637 636 644 CONECT 644 637 643 CONECT 808 625 807 CONECT 877 875 876 1931 CONECT 912 910 911 1931 CONECT 972 970 971 1931 CONECT 1391 1389 1932 CONECT 1915 418 1914 CONECT 1931 877 912 972 CONECT 1932 1391 CONECT 2072 2073 2111 2127 2136 CONECT 2073 2072 2074 2075 CONECT 2074 2073 CONECT 2075 2073 2076 2083 CONECT 2076 2075 2077 2080 2110 CONECT 2077 2076 2078 2108 2109 CONECT 2078 2077 2079 2106 2107 CONECT 2079 2078 2080 2083 2105 CONECT 2080 2076 2079 2081 2082 CONECT 2081 2080 CONECT 2082 2080 CONECT 2083 2075 2079 2084 2104 CONECT 2084 2083 2085 2086 CONECT 2085 2084 CONECT 2086 2084 2087 2103 CONECT 2087 2086 2088 2091 2102 CONECT 2088 2087 2089 2090 CONECT 2089 2088 CONECT 2090 2088 CONECT 2091 2087 2092 2096 CONECT 2092 2091 2093 2101 CONECT 2093 2092 2094 2100 CONECT 2094 2093 2095 2099 CONECT 2095 2094 2096 2098 CONECT 2096 2091 2095 2097 CONECT 2097 2096 CONECT 2098 2095 CONECT 2099 2094 CONECT 2100 2093 CONECT 2101 2092 CONECT 2102 2087 CONECT 2103 2086 CONECT 2104 2083 CONECT 2105 2079 CONECT 2106 2078 CONECT 2107 2078 CONECT 2108 2077 CONECT 2109 2077 CONECT 2110 2076 CONECT 2111 2072 2112 2125 2126 CONECT 2112 2111 2113 2123 2124 CONECT 2113 2112 2114 2121 2122 CONECT 2114 2113 2115 2119 2120 CONECT 2115 2114 2116 2117 2118 CONECT 2116 2115 CONECT 2117 2115 CONECT 2118 2115 CONECT 2119 2114 CONECT 2120 2114 CONECT 2121 2113 CONECT 2122 2113 CONECT 2123 2112 CONECT 2124 2112 CONECT 2125 2111 CONECT 2126 2111 CONECT 2127 2072 2128 2134 2135 CONECT 2128 2127 2129 2130 CONECT 2129 2128 CONECT 2130 2128 2131 2133 CONECT 2131 2130 2132 CONECT 2132 2131 CONECT 2133 2130 CONECT 2134 2127 CONECT 2135 2127 CONECT 2136 2072 MASTER 0 0 0 0 0 0 0 0 2135 1 81 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6bto
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6bsl
RCSB PDB
PDBbind
202aa, >6BSL_1|Chains... *
6bsm
RCSB PDB
PDBbind
201aa, >6BSM_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6bto
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bone morphogenetic protein 1
Ligand Name
E8P
EC.Number
E.C.3.4.24.19
Resolution
2.05(Å)
Affinity (Kd/Ki/IC50)
IC50=10000nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ACS Med Chem Lett Vol. 9: pp. 736-740
Ligand Properties
Formula
C
2
4
H
3
3
N
3
O
6
Molecular Weight
459.535
Exact Mass
459.237
No. of atoms
66
No. of bonds
68
Polar Surface Area
136.04
LOGP Value
3.47 (
Computed with XLOGP3
)
3.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
Canonical SMILES
CCCCC[C@@H](C(=O)N1[C@@H]2CC[C@H]([C@H]1C(=O)N[C@@H](c1ccccc1)C(=O)O)C2)CC(=O)NO
InChI String
InChI=1S/C24H33N3O6/c1-2-3-5-10-17(14-19(28)26-33)23(30)27-18-12-11-16(13-18)21(27)22(29)25-20(24(31)32)15-8-6-4-7-9-15/h4,6-9,16-18,20-21,33H,2-3,5,10-14H2,1H3,(H,25,29)(H,26,28)(H,31,32)/t16-,17+,18+,20-,21-/m0/s1
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):
P13497
Entrez Gene ID
NCBI Entrez Gene ID:
649
ASD
Information of known allosteric effects of PDB entries
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