Browse entries in the PDBbind-CN Database
HEADER 5GMV_COMPLEX COMPND 5GMV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 120 LYS THR PHE LYS GLN ARG ARG THR PHE GLU GLN ARG VAL SEQRES 2 B 120 GLU ASP VAL ARG LEU ILE ARG GLU GLN HIS PRO THR LYS SEQRES 3 B 120 ILE PRO VAL ILE ILE GLU ARG TYR LYS GLY GLU LYS GLN SEQRES 4 B 120 LEU PRO VAL LEU ASP LYS THR LYS PHE LEU VAL PRO ASP SEQRES 5 B 120 HIS VAL ASN MET SER GLU LEU ILE LYS ILE ILE ARG ARG SEQRES 6 B 120 ARG LEU GLN LEU ASN ALA ASN GLN ALA PHE PHE LEU LEU SEQRES 7 B 120 VAL ASN GLY HIS SER MET VAL SER VAL SER THR PRO ILE SEQRES 8 B 120 SER GLU VAL TYR GLU SER GLU LYS ASP GLU ASP GLY PHE SEQRES 9 B 120 LEU TYR MET VAL TYR ALA SER GLN GLU THR PHE GLY MET SEQRES 10 B 120 LYS LEU SER HET ASP A 173 131 ATOM 1 N LYS B 5 2.813 -2.857 2.847 1.00 42.36 N ATOM 2 CA LYS B 5 4.134 -3.540 2.657 1.00 40.41 C ATOM 3 C LYS B 5 4.952 -3.583 3.958 1.00 39.22 C ATOM 4 O LYS B 5 5.314 -2.536 4.508 1.00 38.10 O ATOM 5 CB LYS B 5 4.937 -2.852 1.549 1.00 40.65 C ATOM 6 HN3 LYS B 5 2.972 -1.879 3.164 1.00 0.00 H ATOM 7 HN2 LYS B 5 2.259 -3.369 3.563 1.00 0.00 H ATOM 8 HN1 LYS B 5 2.295 -2.850 1.945 1.00 0.00 H ATOM 9 N THR B 6 5.226 -4.791 4.452 1.00 38.26 N ATOM 10 CA THR B 6 6.076 -4.983 5.638 1.00 36.67 C ATOM 11 C THR B 6 7.554 -4.755 5.331 1.00 35.34 C ATOM 12 O THR B 6 7.959 -4.661 4.168 1.00 33.39 O ATOM 13 CB THR B 6 5.923 -6.406 6.256 1.00 37.82 C ATOM 14 OG1 THR B 6 6.110 -7.420 5.258 1.00 38.82 O ATOM 15 CG2 THR B 6 4.556 -6.577 6.890 1.00 38.99 C ATOM 16 HG1 THR B 6 6.008 -8.313 5.673 1.00 0.00 H ATOM 17 H THR B 6 4.825 -5.628 3.982 1.00 0.00 H ATOM 18 N PHE B 7 8.352 -4.698 6.396 1.00 35.15 N ATOM 19 CA PHE B 7 9.809 -4.598 6.305 1.00 35.04 C ATOM 20 C PHE B 7 10.431 -5.690 5.405 1.00 36.47 C ATOM 21 O PHE B 7 11.226 -5.384 4.510 1.00 37.62 O ATOM 22 CB PHE B 7 10.422 -4.628 7.714 1.00 34.19 C ATOM 23 CG PHE B 7 11.916 -4.504 7.718 1.00 34.38 C ATOM 24 CD1 PHE B 7 12.519 -3.273 7.489 1.00 34.44 C ATOM 25 CD2 PHE B 7 12.724 -5.620 7.909 1.00 32.97 C ATOM 26 CE1 PHE B 7 13.899 -3.153 7.463 1.00 34.27 C ATOM 27 CE2 PHE B 7 14.101 -5.503 7.886 1.00 32.94 C ATOM 28 CZ PHE B 7 14.691 -4.270 7.660 1.00 33.19 C ATOM 29 H PHE B 7 7.917 -4.726 7.340 1.00 0.00 H ATOM 30 N LYS B 8 10.058 -6.951 5.622 1.00 36.61 N ATOM 31 CA LYS B 8 10.515 -8.052 4.753 1.00 38.54 C ATOM 32 C LYS B 8 10.184 -7.893 3.266 1.00 42.78 C ATOM 33 O LYS B 8 10.893 -8.429 2.418 1.00 42.88 O ATOM 34 CB LYS B 8 9.928 -9.387 5.214 1.00 35.72 C ATOM 35 CG LYS B 8 10.499 -9.909 6.507 1.00 33.30 C ATOM 36 CD LYS B 8 10.175 -11.383 6.664 1.00 33.06 C ATOM 37 CE LYS B 8 10.711 -11.935 7.964 1.00 32.59 C ATOM 38 NZ LYS B 8 10.520 -13.405 8.086 1.00 33.28 N ATOM 39 HZ1 LYS B 8 9.505 -13.626 8.040 1.00 0.00 H ATOM 40 HZ2 LYS B 8 11.016 -13.884 7.307 1.00 0.00 H ATOM 41 HZ3 LYS B 8 10.906 -13.729 8.996 1.00 0.00 H ATOM 42 H LYS B 8 9.430 -7.164 6.423 1.00 0.00 H ATOM 43 N GLN B 9 9.083 -7.201 2.962 1.00 49.43 N ATOM 44 CA GLN B 9 8.613 -7.011 1.576 1.00 52.03 C ATOM 45 C GLN B 9 9.356 -5.892 0.815 1.00 52.34 C ATOM 46 O GLN B 9 9.612 -6.023 -0.386 1.00 50.75 O ATOM 47 CB GLN B 9 7.090 -6.783 1.562 1.00 52.24 C ATOM 48 CG GLN B 9 6.291 -8.022 1.948 1.00 53.63 C ATOM 49 CD GLN B 9 4.781 -7.789 2.000 1.00 56.14 C ATOM 50 OE1 GLN B 9 4.326 -6.670 2.179 1.00 54.68 O ATOM 51 NE2 GLN B 9 4.000 -8.861 1.856 1.00 54.74 N ATOM 52 HE22 GLN B 9 4.426 -9.798 1.705 1.00 0.00 H ATOM 53 HE21 GLN B 9 2.966 -8.760 1.895 1.00 0.00 H ATOM 54 H GLN B 9 8.533 -6.777 3.736 1.00 0.00 H ATOM 55 N ARG B 10 9.720 -4.813 1.513 1.00 51.49 N ATOM 56 CA ARG B 10 10.454 -3.705 0.890 1.00 51.46 C ATOM 57 C ARG B 10 11.959 -3.968 0.689 1.00 51.89 C ATOM 58 O ARG B 10 12.642 -3.169 0.031 1.00 50.26 O ATOM 59 CB ARG B 10 10.224 -2.399 1.674 1.00 52.61 C ATOM 60 CG ARG B 10 11.097 -2.172 2.902 1.00 54.76 C ATOM 61 CD ARG B 10 10.703 -0.902 3.650 1.00 54.81 C ATOM 62 NE ARG B 10 9.609 -1.127 4.601 1.00 53.75 N ATOM 63 CZ ARG B 10 8.304 -0.973 4.362 1.00 54.14 C ATOM 64 NH1 ARG B 10 7.843 -0.573 3.174 1.00 53.45 N ATOM 65 NH2 ARG B 10 7.434 -1.219 5.344 1.00 52.65 N ATOM 66 HE ARG B 10 9.876 -1.437 5.557 1.00 0.00 H ATOM 67 HH12 ARG B 10 6.820 -0.464 3.023 1.00 0.00 H ATOM 68 HH11 ARG B 10 8.507 -0.371 2.400 1.00 0.00 H ATOM 69 HH22 ARG B 10 6.414 -1.104 5.176 1.00 0.00 H ATOM 70 HH21 ARG B 10 7.776 -1.525 6.277 1.00 0.00 H ATOM 71 H ARG B 10 9.477 -4.756 2.523 1.00 0.00 H ATOM 72 N ARG B 11 12.469 -5.074 1.241 1.00 52.54 N ATOM 73 CA ARG B 11 13.909 -5.367 1.248 1.00 49.01 C ATOM 74 C ARG B 11 14.125 -6.888 1.084 1.00 46.64 C ATOM 75 O ARG B 11 13.532 -7.681 1.823 1.00 43.15 O ATOM 76 CB ARG B 11 14.495 -4.834 2.562 1.00 50.55 C ATOM 77 CG ARG B 11 15.866 -4.181 2.469 1.00 52.25 C ATOM 78 CD ARG B 11 16.117 -3.320 3.701 1.00 53.90 C ATOM 79 NE ARG B 11 17.524 -2.956 3.915 1.00 54.90 N ATOM 80 CZ ARG B 11 18.207 -2.042 3.217 1.00 54.68 C ATOM 81 NH1 ARG B 11 17.645 -1.386 2.196 1.00 57.01 N ATOM 82 NH2 ARG B 11 19.478 -1.790 3.531 1.00 52.81 N ATOM 83 HE ARG B 11 18.033 -3.452 4.675 1.00 0.00 H ATOM 84 HH12 ARG B 11 18.194 -0.679 1.667 1.00 0.00 H ATOM 85 HH11 ARG B 11 16.659 -1.583 1.931 1.00 0.00 H ATOM 86 HH22 ARG B 11 20.016 -1.081 2.993 1.00 0.00 H ATOM 87 HH21 ARG B 11 19.932 -2.303 4.314 1.00 0.00 H ATOM 88 H ARG B 11 11.820 -5.755 1.684 1.00 0.00 H ATOM 89 N THR B 12 14.949 -7.302 0.115 1.00 43.36 N ATOM 90 CA THR B 12 15.109 -8.741 -0.201 1.00 42.65 C ATOM 91 C THR B 12 15.786 -9.513 0.950 1.00 41.90 C ATOM 92 O THR B 12 16.174 -8.911 1.955 1.00 43.84 O ATOM 93 CB THR B 12 15.844 -8.955 -1.558 1.00 42.98 C ATOM 94 OG1 THR B 12 15.675 -10.300 -2.006 1.00 47.01 O ATOM 95 CG2 THR B 12 17.309 -8.672 -1.464 1.00 43.05 C ATOM 96 HG1 THR B 12 16.147 -10.421 -2.868 1.00 0.00 H ATOM 97 H THR B 12 15.489 -6.599 -0.428 1.00 0.00 H ATOM 98 N PHE B 13 15.904 -10.834 0.818 1.00 39.10 N ATOM 99 CA PHE B 13 16.470 -11.673 1.888 1.00 36.74 C ATOM 100 C PHE B 13 17.963 -11.373 2.070 1.00 38.03 C ATOM 101 O PHE B 13 18.455 -11.286 3.210 1.00 37.11 O ATOM 102 CB PHE B 13 16.224 -13.171 1.608 1.00 34.20 C ATOM 103 CG PHE B 13 16.855 -14.103 2.623 1.00 33.91 C ATOM 104 CD1 PHE B 13 16.241 -14.341 3.860 1.00 32.16 C ATOM 105 CD2 PHE B 13 18.079 -14.737 2.351 1.00 32.03 C ATOM 106 CE1 PHE B 13 16.829 -15.187 4.794 1.00 31.87 C ATOM 107 CE2 PHE B 13 18.668 -15.583 3.282 1.00 31.37 C ATOM 108 CZ PHE B 13 18.047 -15.810 4.503 1.00 32.06 C ATOM 109 H PHE B 13 15.588 -11.285 -0.064 1.00 0.00 H ATOM 110 N GLU B 14 18.661 -11.204 0.940 1.00 38.00 N ATOM 111 CA GLU B 14 20.106 -10.924 0.914 1.00 37.04 C ATOM 112 C GLU B 14 20.453 -9.568 1.559 1.00 35.12 C ATOM 113 O GLU B 14 21.415 -9.471 2.305 1.00 35.62 O ATOM 114 CB GLU B 14 20.646 -10.969 -0.532 1.00 37.64 C ATOM 115 CG GLU B 14 20.893 -12.368 -1.089 1.00 38.09 C ATOM 116 CD GLU B 14 19.635 -13.127 -1.507 1.00 40.44 C ATOM 117 OE1 GLU B 14 18.561 -12.514 -1.691 1.00 41.16 O ATOM 118 OE2 GLU B 14 19.725 -14.362 -1.670 1.00 42.36 O ATOM 119 H GLU B 14 18.156 -11.274 0.034 1.00 0.00 H ATOM 120 N GLN B 15 19.646 -8.549 1.265 1.00 32.86 N ATOM 121 CA GLN B 15 19.817 -7.194 1.796 1.00 31.32 C ATOM 122 C GLN B 15 19.703 -7.199 3.316 1.00 30.37 C ATOM 123 O GLN B 15 20.545 -6.609 3.997 1.00 29.04 O ATOM 124 CB GLN B 15 18.770 -6.236 1.213 1.00 33.66 C ATOM 125 CG GLN B 15 19.026 -5.731 -0.202 1.00 34.90 C ATOM 126 CD GLN B 15 17.885 -4.843 -0.734 1.00 39.21 C ATOM 127 OE1 GLN B 15 16.706 -5.062 -0.445 1.00 41.38 O ATOM 128 NE2 GLN B 15 18.240 -3.835 -1.520 1.00 40.50 N ATOM 129 HE22 GLN B 15 19.244 -3.679 -1.744 1.00 0.00 H ATOM 130 HE21 GLN B 15 17.515 -3.201 -1.912 1.00 0.00 H ATOM 131 H GLN B 15 18.849 -8.726 0.621 1.00 0.00 H ATOM 132 N ARG B 16 18.676 -7.881 3.836 1.00 28.01 N ATOM 133 CA ARG B 16 18.475 -8.011 5.277 1.00 27.17 C ATOM 134 C ARG B 16 19.602 -8.769 5.995 1.00 27.46 C ATOM 135 O ARG B 16 20.061 -8.308 7.044 1.00 26.58 O ATOM 136 CB ARG B 16 17.104 -8.617 5.580 1.00 27.29 C ATOM 137 CG ARG B 16 15.993 -7.631 5.277 1.00 28.04 C ATOM 138 CD ARG B 16 14.601 -8.177 5.553 1.00 27.65 C ATOM 139 NE ARG B 16 13.995 -8.698 4.341 1.00 27.89 N ATOM 140 CZ ARG B 16 13.816 -9.983 4.020 1.00 27.71 C ATOM 141 NH1 ARG B 16 14.180 -10.986 4.818 1.00 27.91 N ATOM 142 NH2 ARG B 16 13.247 -10.261 2.857 1.00 27.74 N ATOM 143 HE ARG B 16 13.665 -7.996 3.648 1.00 0.00 H ATOM 144 HH12 ARG B 16 14.019 -11.970 4.523 1.00 0.00 H ATOM 145 HH11 ARG B 16 14.625 -10.785 5.736 1.00 0.00 H ATOM 146 HH22 ARG B 16 13.093 -11.251 2.577 1.00 0.00 H ATOM 147 HH21 ARG B 16 12.954 -9.490 2.224 1.00 0.00 H ATOM 148 H ARG B 16 17.997 -8.334 3.192 1.00 0.00 H ATOM 149 N VAL B 17 20.067 -9.893 5.431 1.00 28.35 N ATOM 150 CA VAL B 17 21.219 -10.634 6.002 1.00 29.16 C ATOM 151 C VAL B 17 22.445 -9.732 6.110 1.00 30.67 C ATOM 152 O VAL B 17 23.092 -9.688 7.163 1.00 30.52 O ATOM 153 CB VAL B 17 21.590 -11.901 5.190 1.00 30.08 C ATOM 154 CG1 VAL B 17 22.986 -12.426 5.561 1.00 29.10 C ATOM 155 CG2 VAL B 17 20.550 -12.989 5.404 1.00 30.14 C ATOM 156 H VAL B 17 19.608 -10.255 4.571 1.00 0.00 H ATOM 157 N GLU B 18 22.761 -9.030 5.017 1.00 32.84 N ATOM 158 CA GLU B 18 23.907 -8.118 4.977 1.00 33.32 C ATOM 159 C GLU B 18 23.715 -7.016 5.997 1.00 29.64 C ATOM 160 O GLU B 18 24.617 -6.757 6.788 1.00 28.78 O ATOM 161 CB GLU B 18 24.111 -7.540 3.566 1.00 36.74 C ATOM 162 CG GLU B 18 25.210 -6.485 3.426 1.00 38.57 C ATOM 163 CD GLU B 18 26.572 -6.948 3.904 1.00 43.35 C ATOM 164 OE1 GLU B 18 26.890 -8.153 3.776 1.00 49.93 O ATOM 165 OE2 GLU B 18 27.347 -6.103 4.403 1.00 46.04 O ATOM 166 H GLU B 18 22.173 -9.135 4.166 1.00 0.00 H ATOM 167 N ASP B 19 22.526 -6.413 5.988 1.00 28.28 N ATOM 168 CA ASP B 19 22.115 -5.353 6.948 1.00 29.31 C ATOM 169 C ASP B 19 22.401 -5.783 8.420 1.00 27.75 C ATOM 170 O ASP B 19 23.004 -5.026 9.195 1.00 26.13 O ATOM 171 CB ASP B 19 20.628 -4.988 6.685 1.00 31.64 C ATOM 172 CG ASP B 19 20.138 -3.725 7.417 1.00 35.75 C ATOM 173 OD1 ASP B 19 20.885 -3.085 8.187 1.00 37.86 O ATOM 174 OD2 ASP B 19 18.950 -3.368 7.209 1.00 39.14 O ATOM 175 H ASP B 19 21.840 -6.703 5.262 1.00 0.00 H ATOM 176 N VAL B 20 22.027 -7.012 8.769 1.00 26.53 N ATOM 177 CA VAL B 20 22.275 -7.558 10.102 1.00 27.43 C ATOM 178 C VAL B 20 23.768 -7.701 10.349 1.00 27.04 C ATOM 179 O VAL B 20 24.273 -7.208 11.339 1.00 25.49 O ATOM 180 CB VAL B 20 21.552 -8.914 10.333 1.00 28.10 C ATOM 181 CG1 VAL B 20 22.020 -9.584 11.627 1.00 27.76 C ATOM 182 CG2 VAL B 20 20.037 -8.693 10.370 1.00 28.13 C ATOM 183 H VAL B 20 21.540 -7.606 8.067 1.00 0.00 H ATOM 184 N ARG B 21 24.463 -8.351 9.428 1.00 28.63 N ATOM 185 CA ARG B 21 25.917 -8.460 9.490 1.00 29.99 C ATOM 186 C ARG B 21 26.596 -7.124 9.808 1.00 28.31 C ATOM 187 O ARG B 21 27.410 -7.072 10.708 1.00 29.21 O ATOM 188 CB ARG B 21 26.474 -9.023 8.178 1.00 32.67 C ATOM 189 CG ARG B 21 27.850 -9.651 8.317 1.00 36.31 C ATOM 190 CD ARG B 21 28.375 -10.140 6.976 1.00 38.24 C ATOM 191 NE ARG B 21 28.692 -9.020 6.091 1.00 41.48 N ATOM 192 CZ ARG B 21 29.776 -8.244 6.190 1.00 43.70 C ATOM 193 NH1 ARG B 21 30.685 -8.431 7.153 1.00 43.58 N ATOM 194 NH2 ARG B 21 29.955 -7.261 5.310 1.00 45.27 N ATOM 195 HE ARG B 21 28.021 -8.811 5.324 1.00 0.00 H ATOM 196 HH12 ARG B 21 31.520 -7.813 7.207 1.00 0.00 H ATOM 197 HH11 ARG B 21 30.557 -9.195 7.847 1.00 0.00 H ATOM 198 HH22 ARG B 21 30.794 -6.650 5.376 1.00 0.00 H ATOM 199 HH21 ARG B 21 29.256 -7.104 4.556 1.00 0.00 H ATOM 200 H ARG B 21 23.957 -8.797 8.636 1.00 0.00 H ATOM 201 N LEU B 22 26.243 -6.061 9.087 1.00 27.71 N ATOM 202 CA LEU B 22 26.878 -4.743 9.271 1.00 26.85 C ATOM 203 C LEU B 22 26.549 -4.108 10.604 1.00 25.10 C ATOM 204 O LEU B 22 27.453 -3.662 11.306 1.00 25.34 O ATOM 205 CB LEU B 22 26.517 -3.768 8.143 1.00 26.84 C ATOM 206 CG LEU B 22 27.090 -4.116 6.760 1.00 29.01 C ATOM 207 CD1 LEU B 22 26.474 -3.240 5.668 1.00 29.14 C ATOM 208 CD2 LEU B 22 28.619 -4.050 6.713 1.00 27.66 C ATOM 209 H LEU B 22 25.495 -6.164 8.371 1.00 0.00 H ATOM 210 N ILE B 23 25.271 -4.078 10.965 1.00 24.77 N ATOM 211 CA ILE B 23 24.850 -3.399 12.199 1.00 24.61 C ATOM 212 C ILE B 23 25.360 -4.078 13.472 1.00 24.29 C ATOM 213 O ILE B 23 25.647 -3.401 14.458 1.00 22.74 O ATOM 214 CB ILE B 23 23.317 -3.152 12.246 1.00 24.59 C ATOM 215 CG1 ILE B 23 22.978 -1.986 13.194 1.00 24.94 C ATOM 216 CG2 ILE B 23 22.559 -4.409 12.623 1.00 24.90 C ATOM 217 CD1 ILE B 23 23.372 -0.620 12.665 1.00 24.15 C ATOM 218 H ILE B 23 24.558 -4.541 10.366 1.00 0.00 H ATOM 219 N ARG B 24 25.533 -5.397 13.413 1.00 25.37 N ATOM 220 CA ARG B 24 26.108 -6.169 14.507 1.00 26.94 C ATOM 221 C ARG B 24 27.593 -5.847 14.741 1.00 27.02 C ATOM 222 O ARG B 24 28.031 -5.765 15.895 1.00 25.52 O ATOM 223 CB ARG B 24 25.925 -7.670 14.255 1.00 29.08 C ATOM 224 CG ARG B 24 24.474 -8.154 14.262 1.00 31.57 C ATOM 225 CD ARG B 24 23.921 -8.253 15.672 1.00 32.92 C ATOM 226 NE ARG B 24 24.375 -9.457 16.371 1.00 32.61 N ATOM 227 CZ ARG B 24 24.474 -9.592 17.696 1.00 33.09 C ATOM 228 NH1 ARG B 24 24.164 -8.605 18.533 1.00 33.58 N ATOM 229 NH2 ARG B 24 24.878 -10.751 18.197 1.00 35.27 N ATOM 230 HE ARG B 24 24.643 -10.275 15.787 1.00 0.00 H ATOM 231 HH12 ARG B 24 24.253 -8.746 19.559 1.00 0.00 H ATOM 232 HH11 ARG B 24 23.832 -7.692 18.161 1.00 0.00 H ATOM 233 HH22 ARG B 24 24.960 -10.872 19.227 1.00 0.00 H ATOM 234 HH21 ARG B 24 25.113 -11.539 17.560 1.00 0.00 H ATOM 235 H ARG B 24 25.245 -5.898 12.548 1.00 0.00 H ATOM 236 N GLU B 25 28.361 -5.663 13.664 1.00 26.99 N ATOM 237 CA GLU B 25 29.737 -5.118 13.778 1.00 27.15 C ATOM 238 C GLU B 25 29.749 -3.780 14.488 1.00 26.55 C ATOM 239 O GLU B 25 30.621 -3.522 15.319 1.00 26.42 O ATOM 240 CB GLU B 25 30.378 -4.892 12.414 1.00 27.86 C ATOM 241 CG GLU B 25 30.958 -6.124 11.788 1.00 29.86 C ATOM 242 CD GLU B 25 31.691 -5.834 10.507 1.00 30.65 C ATOM 243 OE1 GLU B 25 31.524 -4.734 9.936 1.00 35.42 O ATOM 244 OE2 GLU B 25 32.427 -6.719 10.067 1.00 30.64 O ATOM 245 H GLU B 25 27.987 -5.907 12.725 1.00 0.00 H ATOM 246 N GLN B 26 28.796 -2.923 14.117 1.00 26.88 N ATOM 247 CA GLN B 26 28.696 -1.576 14.668 1.00 26.43 C ATOM 248 C GLN B 26 28.213 -1.549 16.111 1.00 26.47 C ATOM 249 O GLN B 26 28.588 -0.641 16.865 1.00 25.34 O ATOM 250 CB GLN B 26 27.763 -0.700 13.807 1.00 27.57 C ATOM 251 CG GLN B 26 28.344 -0.290 12.465 1.00 28.49 C ATOM 252 CD GLN B 26 29.576 0.615 12.589 1.00 30.00 C ATOM 253 OE1 GLN B 26 29.748 1.358 13.573 1.00 29.10 O ATOM 254 NE2 GLN B 26 30.444 0.550 11.587 1.00 29.87 N ATOM 255 HE22 GLN B 26 30.263 -0.084 10.783 1.00 0.00 H ATOM 256 HE21 GLN B 26 31.305 1.133 11.606 1.00 0.00 H ATOM 257 H GLN B 26 28.098 -3.227 13.408 1.00 0.00 H ATOM 258 N HIS B 27 27.341 -2.501 16.476 1.00 25.88 N ATOM 259 CA HIS B 27 26.773 -2.596 17.835 1.00 25.86 C ATOM 260 C HIS B 27 26.767 -4.050 18.309 1.00 25.56 C ATOM 261 O HIS B 27 25.730 -4.703 18.312 1.00 26.49 O ATOM 262 CB HIS B 27 25.360 -2.018 17.847 1.00 26.66 C ATOM 263 CG HIS B 27 25.299 -0.610 17.353 1.00 27.05 C ATOM 264 ND1 HIS B 27 25.439 0.478 18.187 1.00 26.44 N ATOM 265 CD2 HIS B 27 25.173 -0.114 16.098 1.00 27.31 C ATOM 266 CE1 HIS B 27 25.387 1.585 17.468 1.00 27.66 C ATOM 267 NE2 HIS B 27 25.227 1.253 16.198 1.00 27.84 N ATOM 268 H HIS B 27 27.052 -3.205 15.768 1.00 0.00 H ATOM 269 N PRO B 28 27.941 -4.576 18.679 1.00 26.46 N ATOM 270 CA PRO B 28 27.994 -5.971 19.090 1.00 25.94 C ATOM 271 C PRO B 28 27.147 -6.301 20.332 1.00 25.83 C ATOM 272 O PRO B 28 26.775 -7.454 20.482 1.00 26.11 O ATOM 273 CB PRO B 28 29.493 -6.219 19.334 1.00 26.19 C ATOM 274 CG PRO B 28 30.092 -4.859 19.508 1.00 27.32 C ATOM 275 CD PRO B 28 29.289 -3.980 18.593 1.00 26.91 C ATOM 276 N THR B 29 26.830 -5.314 21.183 1.00 25.04 N ATOM 277 CA THR B 29 25.990 -5.549 22.352 1.00 26.20 C ATOM 278 C THR B 29 24.530 -5.113 22.185 1.00 26.81 C ATOM 279 O THR B 29 23.814 -5.050 23.180 1.00 25.63 O ATOM 280 CB THR B 29 26.558 -4.877 23.613 1.00 26.48 C ATOM 281 OG1 THR B 29 26.477 -3.450 23.491 1.00 27.93 O ATOM 282 CG2 THR B 29 27.973 -5.284 23.807 1.00 27.13 C ATOM 283 HG1 THR B 29 27.000 -3.157 22.703 1.00 0.00 H ATOM 284 H THR B 29 27.193 -4.356 21.005 1.00 0.00 H ATOM 285 N LYS B 30 24.083 -4.832 20.953 1.00 27.47 N ATOM 286 CA LYS B 30 22.662 -4.540 20.680 1.00 27.77 C ATOM 287 C LYS B 30 22.039 -5.635 19.845 1.00 25.56 C ATOM 288 O LYS B 30 22.712 -6.236 19.014 1.00 25.31 O ATOM 289 CB LYS B 30 22.507 -3.225 19.915 1.00 29.46 C ATOM 290 CG LYS B 30 23.079 -1.996 20.612 1.00 31.45 C ATOM 291 CD LYS B 30 22.049 -1.191 21.372 1.00 33.82 C ATOM 292 CE LYS B 30 22.543 0.218 21.654 1.00 35.00 C ATOM 293 NZ LYS B 30 23.620 0.241 22.678 1.00 36.87 N ATOM 294 HZ1 LYS B 30 23.260 -0.160 23.567 1.00 0.00 H ATOM 295 HZ2 LYS B 30 24.427 -0.324 22.344 1.00 0.00 H ATOM 296 HZ3 LYS B 30 23.925 1.223 22.837 1.00 0.00 H ATOM 297 H LYS B 30 24.760 -4.819 20.163 1.00 0.00 H ATOM 298 N ILE B 31 20.750 -5.874 20.058 1.00 24.58 N ATOM 299 CA ILE B 31 19.953 -6.793 19.228 1.00 23.89 C ATOM 300 C ILE B 31 19.208 -5.963 18.184 1.00 23.76 C ATOM 301 O ILE B 31 18.538 -5.000 18.553 1.00 22.83 O ATOM 302 CB ILE B 31 18.902 -7.562 20.083 1.00 24.02 C ATOM 303 CG1 ILE B 31 19.554 -8.236 21.313 1.00 23.92 C ATOM 304 CG2 ILE B 31 18.122 -8.564 19.237 1.00 22.96 C ATOM 305 CD1 ILE B 31 20.745 -9.108 20.984 1.00 24.44 C ATOM 306 H ILE B 31 20.281 -5.389 20.849 1.00 0.00 H ATOM 307 N PRO B 32 19.307 -6.332 16.883 1.00 23.56 N ATOM 308 CA PRO B 32 18.466 -5.675 15.901 1.00 23.05 C ATOM 309 C PRO B 32 17.053 -6.271 15.978 1.00 23.03 C ATOM 310 O PRO B 32 16.896 -7.502 15.872 1.00 22.68 O ATOM 311 CB PRO B 32 19.152 -6.001 14.571 1.00 24.08 C ATOM 312 CG PRO B 32 19.823 -7.321 14.801 1.00 23.78 C ATOM 313 CD PRO B 32 20.094 -7.431 16.284 1.00 23.54 C ATOM 314 N VAL B 33 16.060 -5.405 16.212 1.00 20.87 N ATOM 315 CA VAL B 33 14.670 -5.805 16.361 1.00 20.29 C ATOM 316 C VAL B 33 13.774 -5.025 15.385 1.00 20.19 C ATOM 317 O VAL B 33 13.835 -3.790 15.292 1.00 20.30 O ATOM 318 CB VAL B 33 14.138 -5.594 17.799 1.00 20.41 C ATOM 319 CG1 VAL B 33 12.834 -6.364 18.012 1.00 20.49 C ATOM 320 CG2 VAL B 33 15.143 -6.044 18.857 1.00 20.69 C ATOM 321 H VAL B 33 16.294 -4.395 16.291 1.00 0.00 H ATOM 322 N ILE B 34 12.937 -5.752 14.660 1.00 19.14 N ATOM 323 CA ILE B 34 11.930 -5.137 13.798 1.00 19.28 C ATOM 324 C ILE B 34 10.625 -5.158 14.569 1.00 19.15 C ATOM 325 O ILE B 34 10.149 -6.228 14.932 1.00 19.28 O ATOM 326 CB ILE B 34 11.788 -5.924 12.496 1.00 19.30 C ATOM 327 CG1 ILE B 34 13.120 -5.925 11.747 1.00 18.75 C ATOM 328 CG2 ILE B 34 10.626 -5.382 11.649 1.00 20.45 C ATOM 329 CD1 ILE B 34 13.633 -4.552 11.355 1.00 18.98 C ATOM 330 H ILE B 34 12.998 -6.789 14.706 1.00 0.00 H ATOM 331 N ILE B 35 10.089 -3.975 14.866 1.00 19.21 N ATOM 332 CA ILE B 35 8.878 -3.834 15.645 1.00 19.99 C ATOM 333 C ILE B 35 7.849 -3.155 14.754 1.00 21.53 C ATOM 334 O ILE B 35 8.122 -2.076 14.219 1.00 24.40 O ATOM 335 CB ILE B 35 9.093 -3.059 16.964 1.00 20.19 C ATOM 336 CG1 ILE B 35 10.317 -3.622 17.706 1.00 20.67 C ATOM 337 CG2 ILE B 35 7.863 -3.189 17.868 1.00 19.81 C ATOM 338 CD1 ILE B 35 10.517 -3.049 19.097 1.00 21.13 C ATOM 339 H ILE B 35 10.562 -3.115 14.523 1.00 0.00 H ATOM 340 N GLU B 36 6.691 -3.799 14.581 1.00 20.52 N ATOM 341 CA GLU B 36 5.620 -3.303 13.705 1.00 21.90 C ATOM 342 C GLU B 36 4.273 -3.457 14.355 1.00 20.53 C ATOM 343 O GLU B 36 4.096 -4.316 15.203 1.00 20.75 O ATOM 344 CB GLU B 36 5.634 -4.055 12.368 1.00 23.76 C ATOM 345 CG GLU B 36 6.928 -3.832 11.604 1.00 24.68 C ATOM 346 CD GLU B 36 6.992 -4.533 10.267 1.00 26.68 C ATOM 347 OE1 GLU B 36 6.794 -5.770 10.203 1.00 27.75 O ATOM 348 OE2 GLU B 36 7.280 -3.826 9.281 1.00 30.28 O ATOM 349 H GLU B 36 6.540 -4.693 15.090 1.00 0.00 H ATOM 350 N ARG B 37 3.315 -2.612 13.994 1.00 20.08 N ATOM 351 CA ARG B 37 1.934 -2.839 14.457 1.00 19.92 C ATOM 352 C ARG B 37 1.394 -4.104 13.804 1.00 19.42 C ATOM 353 O ARG B 37 1.652 -4.351 12.636 1.00 19.55 O ATOM 354 CB ARG B 37 1.023 -1.666 14.124 1.00 19.91 C ATOM 355 CG ARG B 37 -0.338 -1.796 14.778 1.00 20.02 C ATOM 356 CD ARG B 37 -1.116 -0.511 14.737 1.00 19.78 C ATOM 357 NE ARG B 37 -1.582 -0.230 13.396 1.00 20.65 N ATOM 358 CZ ARG B 37 -2.371 0.788 13.072 1.00 21.13 C ATOM 359 NH1 ARG B 37 -2.800 1.658 13.993 1.00 22.06 N ATOM 360 NH2 ARG B 37 -2.724 0.938 11.813 1.00 22.08 N ATOM 361 HE ARG B 37 -1.278 -0.869 12.634 1.00 0.00 H ATOM 362 HH12 ARG B 37 -3.417 2.447 13.715 1.00 0.00 H ATOM 363 HH11 ARG B 37 -2.516 1.545 14.987 1.00 0.00 H ATOM 364 HH22 ARG B 37 -3.341 1.728 11.537 1.00 0.00 H ATOM 365 HH21 ARG B 37 -2.386 0.266 11.095 1.00 0.00 H ATOM 366 H ARG B 37 3.537 -1.796 13.389 1.00 0.00 H ATOM 367 N TYR B 38 0.690 -4.932 14.567 1.00 20.80 N ATOM 368 CA TYR B 38 0.054 -6.135 14.009 1.00 20.31 C ATOM 369 C TYR B 38 -1.000 -5.711 12.968 1.00 20.80 C ATOM 370 O TYR B 38 -1.734 -4.759 13.189 1.00 18.64 O ATOM 371 CB TYR B 38 -0.579 -6.972 15.126 1.00 20.04 C ATOM 372 CG TYR B 38 -1.390 -8.139 14.620 1.00 20.16 C ATOM 373 CD1 TYR B 38 -0.807 -9.108 13.801 1.00 20.54 C ATOM 374 CD2 TYR B 38 -2.750 -8.273 14.942 1.00 20.73 C ATOM 375 CE1 TYR B 38 -1.551 -10.179 13.298 1.00 20.69 C ATOM 376 CE2 TYR B 38 -3.495 -9.349 14.463 1.00 20.88 C ATOM 377 CZ TYR B 38 -2.889 -10.293 13.641 1.00 20.62 C ATOM 378 OH TYR B 38 -3.611 -11.363 13.177 1.00 22.34 O ATOM 379 HH TYR B 38 -3.030 -11.931 12.611 1.00 0.00 H ATOM 380 H TYR B 38 0.586 -4.725 15.581 1.00 0.00 H ATOM 381 N LYS B 39 -1.068 -6.414 11.842 1.00 23.61 N ATOM 382 CA LYS B 39 -1.950 -6.000 10.719 1.00 26.36 C ATOM 383 C LYS B 39 -3.434 -5.898 11.055 1.00 24.50 C ATOM 384 O LYS B 39 -4.142 -5.098 10.457 1.00 25.66 O ATOM 385 CB LYS B 39 -1.803 -6.927 9.505 1.00 29.20 C ATOM 386 CG LYS B 39 -0.404 -7.097 8.951 1.00 33.57 C ATOM 387 CD LYS B 39 0.408 -5.809 8.812 1.00 37.07 C ATOM 388 CE LYS B 39 1.898 -6.112 8.708 1.00 38.62 C ATOM 389 NZ LYS B 39 2.548 -6.394 10.024 1.00 39.16 N ATOM 390 HZ1 LYS B 39 2.443 -5.567 10.646 1.00 0.00 H ATOM 391 HZ2 LYS B 39 2.094 -7.220 10.464 1.00 0.00 H ATOM 392 HZ3 LYS B 39 3.558 -6.591 9.875 1.00 0.00 H ATOM 393 H LYS B 39 -0.491 -7.274 11.744 1.00 0.00 H ATOM 394 N GLY B 40 -3.904 -6.725 11.979 1.00 22.99 N ATOM 395 CA GLY B 40 -5.281 -6.656 12.461 1.00 22.38 C ATOM 396 C GLY B 40 -5.543 -5.664 13.581 1.00 22.34 C ATOM 397 O GLY B 40 -6.657 -5.579 14.089 1.00 22.68 O ATOM 398 H GLY B 40 -3.270 -7.448 12.374 1.00 0.00 H ATOM 399 N GLU B 41 -4.529 -4.905 13.974 1.00 22.44 N ATOM 400 CA GLU B 41 -4.611 -4.030 15.135 1.00 22.66 C ATOM 401 C GLU B 41 -4.861 -2.624 14.619 1.00 23.13 C ATOM 402 O GLU B 41 -4.072 -2.113 13.840 1.00 23.70 O ATOM 403 CB GLU B 41 -3.297 -4.105 15.940 1.00 21.74 C ATOM 404 CG GLU B 41 -3.192 -3.158 17.110 1.00 21.37 C ATOM 405 CD GLU B 41 -4.314 -3.305 18.094 1.00 20.77 C ATOM 406 OE1 GLU B 41 -4.490 -4.405 18.658 1.00 21.16 O ATOM 407 OE2 GLU B 41 -5.019 -2.304 18.307 1.00 21.94 O ATOM 408 H GLU B 41 -3.642 -4.936 13.432 1.00 0.00 H ATOM 409 N LYS B 42 -5.980 -2.038 15.023 1.00 24.69 N ATOM 410 CA LYS B 42 -6.368 -0.703 14.611 1.00 25.55 C ATOM 411 C LYS B 42 -6.432 0.329 15.745 1.00 26.80 C ATOM 412 O LYS B 42 -6.353 1.523 15.476 1.00 28.69 O ATOM 413 CB LYS B 42 -7.721 -0.774 13.875 1.00 25.49 C ATOM 414 CG LYS B 42 -7.770 -1.712 12.677 1.00 24.96 C ATOM 415 CD LYS B 42 -6.795 -1.321 11.577 1.00 25.09 C ATOM 416 CE LYS B 42 -6.504 -2.463 10.614 1.00 25.11 C ATOM 417 NZ LYS B 42 -5.185 -2.228 9.953 1.00 25.82 N ATOM 418 HZ1 LYS B 42 -5.216 -1.330 9.430 1.00 0.00 H ATOM 419 HZ2 LYS B 42 -4.439 -2.183 10.676 1.00 0.00 H ATOM 420 HZ3 LYS B 42 -4.985 -3.008 9.295 1.00 0.00 H ATOM 421 H LYS B 42 -6.609 -2.561 15.666 1.00 0.00 H ATOM 422 N GLN B 43 -6.559 -0.114 16.993 1.00 28.43 N ATOM 423 CA GLN B 43 -6.754 0.790 18.125 1.00 30.00 C ATOM 424 C GLN B 43 -5.440 1.419 18.600 1.00 30.75 C ATOM 425 O GLN B 43 -5.376 2.631 18.865 1.00 30.52 O ATOM 426 CB GLN B 43 -7.453 0.042 19.270 1.00 32.04 C ATOM 427 CG GLN B 43 -8.825 -0.524 18.871 1.00 34.19 C ATOM 428 CD GLN B 43 -9.665 -1.003 20.055 1.00 36.98 C ATOM 429 OE1 GLN B 43 -9.209 -1.799 20.882 1.00 38.73 O ATOM 430 NE2 GLN B 43 -10.912 -0.523 20.135 1.00 38.15 N ATOM 431 HE22 GLN B 43 -11.259 0.146 19.418 1.00 0.00 H ATOM 432 HE21 GLN B 43 -11.534 -0.819 20.914 1.00 0.00 H ATOM 433 H GLN B 43 -6.518 -1.138 17.169 1.00 0.00 H ATOM 434 N LEU B 44 -4.395 0.596 18.729 1.00 29.91 N ATOM 435 CA LEU B 44 -3.074 1.099 19.091 1.00 28.67 C ATOM 436 C LEU B 44 -2.449 1.900 17.917 1.00 26.94 C ATOM 437 O LEU B 44 -2.611 1.547 16.732 1.00 27.54 O ATOM 438 CB LEU B 44 -2.145 -0.042 19.523 1.00 29.03 C ATOM 439 CG LEU B 44 -2.578 -0.845 20.754 1.00 30.23 C ATOM 440 CD1 LEU B 44 -1.760 -2.112 20.877 1.00 29.99 C ATOM 441 CD2 LEU B 44 -2.455 -0.027 22.036 1.00 31.09 C ATOM 442 H LEU B 44 -4.526 -0.423 18.568 1.00 0.00 H ATOM 443 N PRO B 45 -1.717 2.970 18.238 1.00 25.48 N ATOM 444 CA PRO B 45 -1.027 3.729 17.173 1.00 26.33 C ATOM 445 C PRO B 45 0.150 2.997 16.509 1.00 27.24 C ATOM 446 O PRO B 45 0.676 2.029 17.076 1.00 26.90 O ATOM 447 CB PRO B 45 -0.508 4.972 17.912 1.00 25.99 C ATOM 448 CG PRO B 45 -0.424 4.571 19.350 1.00 24.53 C ATOM 449 CD PRO B 45 -1.399 3.467 19.593 1.00 24.23 C ATOM 450 N VAL B 46 0.549 3.478 15.324 1.00 29.56 N ATOM 451 CA VAL B 46 1.798 3.056 14.648 1.00 31.59 C ATOM 452 C VAL B 46 3.029 3.758 15.252 1.00 32.71 C ATOM 453 O VAL B 46 2.922 4.863 15.775 1.00 32.77 O ATOM 454 CB VAL B 46 1.763 3.276 13.101 1.00 32.72 C ATOM 455 CG1 VAL B 46 0.592 2.540 12.473 1.00 32.67 C ATOM 456 CG2 VAL B 46 1.733 4.766 12.701 1.00 32.75 C ATOM 457 H VAL B 46 -0.050 4.186 14.853 1.00 0.00 H ATOM 458 N LEU B 47 4.193 3.118 15.187 1.00 35.23 N ATOM 459 CA LEU B 47 5.465 3.800 15.504 1.00 37.87 C ATOM 460 C LEU B 47 5.947 4.550 14.271 1.00 38.49 C ATOM 461 O LEU B 47 5.570 4.215 13.153 1.00 39.28 O ATOM 462 CB LEU B 47 6.534 2.803 15.958 1.00 38.37 C ATOM 463 CG LEU B 47 6.252 2.054 17.278 1.00 39.15 C ATOM 464 CD1 LEU B 47 6.943 0.688 17.312 1.00 38.54 C ATOM 465 CD2 LEU B 47 6.628 2.904 18.490 1.00 38.37 C ATOM 466 H LEU B 47 4.208 2.116 14.907 1.00 0.00 H ATOM 467 N ASP B 48 6.768 5.573 14.467 1.00 42.80 N ATOM 468 CA ASP B 48 7.337 6.304 13.314 1.00 48.73 C ATOM 469 C ASP B 48 8.478 5.516 12.628 1.00 46.67 C ATOM 470 O ASP B 48 8.607 5.593 11.402 1.00 49.38 O ATOM 471 CB ASP B 48 7.738 7.753 13.662 1.00 52.12 C ATOM 472 CG ASP B 48 8.840 7.831 14.694 1.00 58.97 C ATOM 473 OD1 ASP B 48 8.559 7.533 15.874 1.00 62.92 O ATOM 474 OD2 ASP B 48 9.982 8.195 14.335 1.00 64.86 O ATOM 475 H ASP B 48 7.013 5.862 15.435 1.00 0.00 H ATOM 476 N LYS B 49 9.265 4.752 13.400 1.00 42.88 N ATOM 477 CA LYS B 49 10.304 3.857 12.853 1.00 41.53 C ATOM 478 C LYS B 49 9.969 2.360 12.997 1.00 37.51 C ATOM 479 O LYS B 49 9.171 1.958 13.841 1.00 34.04 O ATOM 480 CB LYS B 49 11.675 4.127 13.501 1.00 43.76 C ATOM 481 CG LYS B 49 12.129 5.592 13.534 1.00 46.51 C ATOM 482 CD LYS B 49 12.066 6.324 12.190 1.00 47.25 C ATOM 483 CE LYS B 49 12.979 5.720 11.138 1.00 47.42 C ATOM 484 NZ LYS B 49 14.401 5.680 11.584 1.00 49.02 N ATOM 485 HZ1 LYS B 49 14.729 6.647 11.781 1.00 0.00 H ATOM 486 HZ2 LYS B 49 14.476 5.105 12.447 1.00 0.00 H ATOM 487 HZ3 LYS B 49 14.987 5.260 10.834 1.00 0.00 H ATOM 488 H LYS B 49 9.137 4.792 14.431 1.00 0.00 H ATOM 489 N THR B 50 10.608 1.561 12.145 1.00 36.09 N ATOM 490 CA THR B 50 10.460 0.091 12.089 1.00 34.15 C ATOM 491 C THR B 50 11.671 -0.642 12.711 1.00 31.11 C ATOM 492 O THR B 50 11.495 -1.624 13.424 1.00 29.90 O ATOM 493 CB THR B 50 10.324 -0.366 10.621 1.00 35.40 C ATOM 494 OG1 THR B 50 9.314 0.408 9.971 1.00 37.76 O ATOM 495 CG2 THR B 50 9.959 -1.849 10.512 1.00 36.82 C ATOM 496 HG1 THR B 50 9.229 0.113 9.030 1.00 0.00 H ATOM 497 H THR B 50 11.261 2.004 11.468 1.00 0.00 H ATOM 498 N LYS B 51 12.881 -0.146 12.430 1.00 28.59 N ATOM 499 CA LYS B 51 14.148 -0.753 12.860 1.00 27.19 C ATOM 500 C LYS B 51 14.693 -0.210 14.189 1.00 25.47 C ATOM 501 O LYS B 51 14.937 0.990 14.333 1.00 23.70 O ATOM 502 CB LYS B 51 15.213 -0.522 11.800 1.00 27.56 C ATOM 503 CG LYS B 51 14.897 -1.125 10.447 1.00 28.73 C ATOM 504 CD LYS B 51 15.796 -0.558 9.365 1.00 29.65 C ATOM 505 CE LYS B 51 17.223 -1.031 9.490 1.00 30.33 C ATOM 506 NZ LYS B 51 18.098 -0.366 8.483 1.00 31.19 N ATOM 507 HZ1 LYS B 51 17.755 -0.589 7.527 1.00 0.00 H ATOM 508 HZ2 LYS B 51 18.074 0.663 8.630 1.00 0.00 H ATOM 509 HZ3 LYS B 51 19.073 -0.710 8.592 1.00 0.00 H ATOM 510 H LYS B 51 12.928 0.729 11.869 1.00 0.00 H ATOM 511 N PHE B 52 14.931 -1.113 15.133 1.00 24.71 N ATOM 512 CA PHE B 52 15.390 -0.751 16.460 1.00 24.48 C ATOM 513 C PHE B 52 16.601 -1.562 16.853 1.00 23.72 C ATOM 514 O PHE B 52 16.790 -2.671 16.372 1.00 23.52 O ATOM 515 CB PHE B 52 14.266 -0.944 17.477 1.00 25.16 C ATOM 516 CG PHE B 52 13.041 -0.124 17.175 1.00 25.74 C ATOM 517 CD1 PHE B 52 12.920 1.179 17.662 1.00 26.72 C ATOM 518 CD2 PHE B 52 12.015 -0.642 16.391 1.00 26.16 C ATOM 519 CE1 PHE B 52 11.797 1.948 17.371 1.00 27.55 C ATOM 520 CE2 PHE B 52 10.884 0.117 16.094 1.00 27.00 C ATOM 521 CZ PHE B 52 10.776 1.417 16.583 1.00 27.53 C ATOM 522 H PHE B 52 14.783 -2.118 14.912 1.00 0.00 H ATOM 523 N LEU B 53 17.423 -0.978 17.716 1.00 23.28 N ATOM 524 CA LEU B 53 18.532 -1.662 18.355 1.00 23.06 C ATOM 525 C LEU B 53 18.235 -1.598 19.820 1.00 22.59 C ATOM 526 O LEU B 53 18.019 -0.513 20.364 1.00 21.24 O ATOM 527 CB LEU B 53 19.862 -0.970 18.086 1.00 23.61 C ATOM 528 CG LEU B 53 20.372 -1.125 16.661 1.00 25.31 C ATOM 529 CD1 LEU B 53 21.426 -0.063 16.350 1.00 25.72 C ATOM 530 CD2 LEU B 53 20.907 -2.540 16.412 1.00 26.24 C ATOM 531 H LEU B 53 17.264 0.024 17.947 1.00 0.00 H ATOM 532 N VAL B 54 18.187 -2.769 20.444 1.00 21.49 N ATOM 533 CA VAL B 54 17.890 -2.880 21.844 1.00 21.25 C ATOM 534 C VAL B 54 19.177 -3.377 22.472 1.00 21.99 C ATOM 535 O VAL B 54 19.780 -4.296 21.910 1.00 22.69 O ATOM 536 CB VAL B 54 16.765 -3.900 22.066 1.00 21.34 C ATOM 537 CG1 VAL B 54 16.450 -4.058 23.538 1.00 21.71 C ATOM 538 CG2 VAL B 54 15.524 -3.487 21.289 1.00 22.17 C ATOM 539 H VAL B 54 18.371 -3.636 19.900 1.00 0.00 H ATOM 540 N PRO B 55 19.606 -2.798 23.625 1.00 21.81 N ATOM 541 CA PRO B 55 20.730 -3.373 24.370 1.00 21.73 C ATOM 542 C PRO B 55 20.421 -4.789 24.857 1.00 22.86 C ATOM 543 O PRO B 55 19.346 -5.033 25.407 1.00 22.66 O ATOM 544 CB PRO B 55 20.888 -2.420 25.564 1.00 22.09 C ATOM 545 CG PRO B 55 20.267 -1.152 25.121 1.00 22.13 C ATOM 546 CD PRO B 55 19.085 -1.603 24.311 1.00 22.20 C ATOM 547 N ASP B 56 21.376 -5.697 24.682 1.00 23.79 N ATOM 548 CA ASP B 56 21.133 -7.139 24.811 1.00 25.69 C ATOM 549 C ASP B 56 21.018 -7.638 26.269 1.00 27.30 C ATOM 550 O ASP B 56 20.738 -8.817 26.516 1.00 28.71 O ATOM 551 CB ASP B 56 22.209 -7.922 24.030 1.00 26.41 C ATOM 552 CG ASP B 56 23.621 -7.723 24.588 1.00 26.77 C ATOM 553 OD1 ASP B 56 23.762 -7.122 25.669 1.00 25.40 O ATOM 554 OD2 ASP B 56 24.589 -8.135 23.915 1.00 27.68 O ATOM 555 H ASP B 56 22.335 -5.372 24.444 1.00 0.00 H ATOM 556 N HIS B 57 21.255 -6.742 27.227 1.00 27.06 N ATOM 557 CA HIS B 57 20.963 -7.016 28.625 1.00 27.70 C ATOM 558 C HIS B 57 19.492 -6.773 28.983 1.00 27.37 C ATOM 559 O HIS B 57 19.041 -7.219 30.032 1.00 28.36 O ATOM 560 CB HIS B 57 21.909 -6.210 29.548 1.00 29.43 C ATOM 561 CG HIS B 57 21.742 -4.724 29.463 1.00 28.66 C ATOM 562 ND1 HIS B 57 20.874 -4.030 30.278 1.00 31.00 N ATOM 563 CD2 HIS B 57 22.345 -3.799 28.678 1.00 29.29 C ATOM 564 CE1 HIS B 57 20.935 -2.740 29.987 1.00 30.24 C ATOM 565 NE2 HIS B 57 21.820 -2.574 29.017 1.00 29.84 N ATOM 566 H HIS B 57 21.660 -5.820 26.967 1.00 0.00 H ATOM 567 N VAL B 58 18.742 -6.071 28.128 1.00 26.85 N ATOM 568 CA VAL B 58 17.333 -5.733 28.414 1.00 27.17 C ATOM 569 C VAL B 58 16.522 -7.009 28.493 1.00 25.31 C ATOM 570 O VAL B 58 16.789 -7.939 27.741 1.00 27.09 O ATOM 571 CB VAL B 58 16.755 -4.769 27.346 1.00 28.27 C ATOM 572 CG1 VAL B 58 15.248 -4.689 27.391 1.00 29.10 C ATOM 573 CG2 VAL B 58 17.329 -3.377 27.534 1.00 30.86 C ATOM 574 H VAL B 58 19.164 -5.753 27.232 1.00 0.00 H ATOM 575 N ASN B 59 15.579 -7.083 29.433 1.00 24.21 N ATOM 576 CA ASN B 59 14.577 -8.157 29.405 1.00 22.99 C ATOM 577 C ASN B 59 13.278 -7.728 28.686 1.00 22.98 C ATOM 578 O ASN B 59 13.114 -6.568 28.312 1.00 22.22 O ATOM 579 CB ASN B 59 14.359 -8.787 30.802 1.00 23.29 C ATOM 580 CG ASN B 59 13.554 -7.923 31.757 1.00 23.18 C ATOM 581 OD1 ASN B 59 12.797 -7.066 31.360 1.00 24.04 O ATOM 582 ND2 ASN B 59 13.715 -8.180 33.048 1.00 24.85 N ATOM 583 HD22 ASN B 59 14.375 -8.924 33.352 1.00 0.00 H ATOM 584 HD21 ASN B 59 13.181 -7.637 33.757 1.00 0.00 H ATOM 585 H ASN B 59 15.553 -6.374 30.193 1.00 0.00 H ATOM 586 N MET B 60 12.377 -8.675 28.472 1.00 23.80 N ATOM 587 CA MET B 60 11.116 -8.395 27.773 1.00 25.64 C ATOM 588 C MET B 60 10.219 -7.407 28.522 1.00 25.55 C ATOM 589 O MET B 60 9.605 -6.528 27.893 1.00 23.98 O ATOM 590 CB MET B 60 10.376 -9.699 27.436 1.00 26.05 C ATOM 591 CG MET B 60 11.042 -10.503 26.322 1.00 28.05 C ATOM 592 SD MET B 60 10.912 -9.769 24.651 1.00 30.15 S ATOM 593 CE MET B 60 12.352 -8.721 24.637 1.00 29.40 C ATOM 594 H MET B 60 12.567 -9.641 28.807 1.00 0.00 H ATOM 595 N SER B 61 10.208 -7.516 29.853 1.00 26.51 N ATOM 596 CA SER B 61 9.479 -6.582 30.733 1.00 28.48 C ATOM 597 C SER B 61 9.889 -5.134 30.503 1.00 28.67 C ATOM 598 O SER B 61 9.045 -4.238 30.384 1.00 26.55 O ATOM 599 CB SER B 61 9.716 -6.958 32.205 1.00 30.27 C ATOM 600 OG SER B 61 8.803 -6.302 33.049 1.00 33.68 O ATOM 601 HG SER B 61 8.978 -6.562 33.988 1.00 0.00 H ATOM 602 H SER B 61 10.738 -8.296 30.290 1.00 0.00 H ATOM 603 N GLU B 62 11.201 -4.919 30.427 1.00 29.31 N ATOM 604 CA GLU B 62 11.766 -3.592 30.138 1.00 28.28 C ATOM 605 C GLU B 62 11.495 -3.097 28.713 1.00 26.25 C ATOM 606 O GLU B 62 11.217 -1.919 28.519 1.00 27.09 O ATOM 607 CB GLU B 62 13.279 -3.576 30.431 1.00 29.30 C ATOM 608 CG GLU B 62 13.604 -3.487 31.928 1.00 30.36 C ATOM 609 CD GLU B 62 14.896 -4.193 32.340 1.00 31.72 C ATOM 610 OE1 GLU B 62 15.811 -4.414 31.509 1.00 31.70 O ATOM 611 OE2 GLU B 62 14.994 -4.545 33.525 1.00 35.13 O ATOM 612 H GLU B 62 11.849 -5.718 30.577 1.00 0.00 H ATOM 613 N LEU B 63 11.603 -3.978 27.722 1.00 24.22 N ATOM 614 CA LEU B 63 11.276 -3.629 26.333 1.00 22.87 C ATOM 615 C LEU B 63 9.792 -3.203 26.127 1.00 23.47 C ATOM 616 O LEU B 63 9.498 -2.256 25.362 1.00 22.52 O ATOM 617 CB LEU B 63 11.592 -4.808 25.415 1.00 21.44 C ATOM 618 CG LEU B 63 11.288 -4.562 23.936 1.00 20.40 C ATOM 619 CD1 LEU B 63 12.142 -3.439 23.390 1.00 20.64 C ATOM 620 CD2 LEU B 63 11.463 -5.840 23.145 1.00 20.71 C ATOM 621 H LEU B 63 11.928 -4.942 27.937 1.00 0.00 H ATOM 622 N ILE B 64 8.876 -3.923 26.785 1.00 24.42 N ATOM 623 CA ILE B 64 7.427 -3.584 26.776 1.00 24.13 C ATOM 624 C ILE B 64 7.251 -2.193 27.353 1.00 25.09 C ATOM 625 O ILE B 64 6.581 -1.358 26.758 1.00 26.19 O ATOM 626 CB ILE B 64 6.587 -4.626 27.559 1.00 23.48 C ATOM 627 CG1 ILE B 64 6.558 -5.952 26.812 1.00 22.26 C ATOM 628 CG2 ILE B 64 5.143 -4.167 27.809 1.00 24.04 C ATOM 629 CD1 ILE B 64 6.229 -7.138 27.684 1.00 21.79 C ATOM 630 H ILE B 64 9.190 -4.754 27.325 1.00 0.00 H ATOM 631 N LYS B 65 7.884 -1.933 28.491 1.00 27.71 N ATOM 632 CA LYS B 65 7.810 -0.610 29.136 1.00 29.85 C ATOM 633 C LYS B 65 8.305 0.500 28.195 1.00 28.99 C ATOM 634 O LYS B 65 7.663 1.546 28.061 1.00 27.72 O ATOM 635 CB LYS B 65 8.625 -0.584 30.439 1.00 33.55 C ATOM 636 CG LYS B 65 8.256 0.543 31.399 1.00 37.03 C ATOM 637 CD LYS B 65 7.116 0.134 32.331 1.00 41.11 C ATOM 638 CE LYS B 65 6.297 1.323 32.813 1.00 43.23 C ATOM 639 NZ LYS B 65 7.136 2.323 33.536 1.00 44.74 N ATOM 640 HZ1 LYS B 65 7.574 1.872 34.365 1.00 0.00 H ATOM 641 HZ2 LYS B 65 7.879 2.676 32.899 1.00 0.00 H ATOM 642 HZ3 LYS B 65 6.538 3.115 33.846 1.00 0.00 H ATOM 643 H LYS B 65 8.447 -2.683 28.939 1.00 0.00 H ATOM 644 N ILE B 66 9.440 0.266 27.541 1.00 27.99 N ATOM 645 CA ILE B 66 9.989 1.249 26.613 1.00 27.59 C ATOM 646 C ILE B 66 9.022 1.486 25.450 1.00 27.15 C ATOM 647 O ILE B 66 8.782 2.627 25.061 1.00 26.96 O ATOM 648 CB ILE B 66 11.356 0.831 26.046 1.00 27.68 C ATOM 649 CG1 ILE B 66 12.410 0.738 27.164 1.00 28.28 C ATOM 650 CG2 ILE B 66 11.829 1.841 24.997 1.00 27.86 C ATOM 651 CD1 ILE B 66 13.537 -0.222 26.845 1.00 28.03 C ATOM 652 H ILE B 66 9.943 -0.631 27.694 1.00 0.00 H ATOM 653 N ILE B 67 8.479 0.405 24.896 1.00 27.91 N ATOM 654 CA ILE B 67 7.533 0.523 23.793 1.00 27.68 C ATOM 655 C ILE B 67 6.259 1.237 24.273 1.00 29.32 C ATOM 656 O ILE B 67 5.772 2.121 23.568 1.00 28.03 O ATOM 657 CB ILE B 67 7.265 -0.844 23.131 1.00 25.97 C ATOM 658 CG1 ILE B 67 8.516 -1.276 22.370 1.00 25.71 C ATOM 659 CG2 ILE B 67 6.080 -0.797 22.174 1.00 25.24 C ATOM 660 CD1 ILE B 67 8.654 -2.777 22.253 1.00 25.96 C ATOM 661 H ILE B 67 8.733 -0.537 25.255 1.00 0.00 H ATOM 662 N ARG B 68 5.773 0.902 25.472 1.00 32.21 N ATOM 663 CA ARG B 68 4.601 1.594 26.069 1.00 37.44 C ATOM 664 C ARG B 68 4.684 3.115 25.977 1.00 39.91 C ATOM 665 O ARG B 68 3.782 3.760 25.431 1.00 40.88 O ATOM 666 CB ARG B 68 4.400 1.226 27.544 1.00 40.09 C ATOM 667 CG ARG B 68 3.554 -0.014 27.810 1.00 42.90 C ATOM 668 CD ARG B 68 2.974 0.011 29.212 1.00 44.24 C ATOM 669 NE ARG B 68 1.923 1.019 29.291 1.00 47.06 N ATOM 670 CZ ARG B 68 0.658 0.846 28.902 1.00 49.53 C ATOM 671 NH1 ARG B 68 0.241 -0.322 28.409 1.00 49.64 N ATOM 672 NH2 ARG B 68 -0.204 1.853 29.017 1.00 48.89 N ATOM 673 HE ARG B 68 2.180 1.948 29.682 1.00 0.00 H ATOM 674 HH12 ARG B 68 -0.749 -0.437 28.111 1.00 0.00 H ATOM 675 HH11 ARG B 68 0.906 -1.117 28.323 1.00 0.00 H ATOM 676 HH22 ARG B 68 -1.192 1.729 28.717 1.00 0.00 H ATOM 677 HH21 ARG B 68 0.110 2.764 29.407 1.00 0.00 H ATOM 678 H ARG B 68 6.229 0.133 26.004 1.00 0.00 H ATOM 679 N ARG B 69 5.777 3.670 26.492 1.00 42.57 N ATOM 680 CA ARG B 69 5.923 5.119 26.612 1.00 46.62 C ATOM 681 C ARG B 69 6.258 5.780 25.289 1.00 44.49 C ATOM 682 O ARG B 69 5.701 6.817 24.967 1.00 40.20 O ATOM 683 CB ARG B 69 6.954 5.475 27.682 1.00 50.28 C ATOM 684 CG ARG B 69 6.653 4.895 29.064 1.00 56.24 C ATOM 685 CD ARG B 69 5.163 4.805 29.430 1.00 60.62 C ATOM 686 NE ARG B 69 4.408 6.045 29.189 1.00 66.78 N ATOM 687 CZ ARG B 69 3.074 6.159 29.227 1.00 69.09 C ATOM 688 NH1 ARG B 69 2.298 5.111 29.505 1.00 70.06 N ATOM 689 NH2 ARG B 69 2.503 7.341 28.983 1.00 71.13 N ATOM 690 HE ARG B 69 4.955 6.903 28.971 1.00 0.00 H ATOM 691 HH12 ARG B 69 1.264 5.221 29.529 1.00 0.00 H ATOM 692 HH11 ARG B 69 2.727 4.183 29.697 1.00 0.00 H ATOM 693 HH22 ARG B 69 1.468 7.434 29.011 1.00 0.00 H ATOM 694 HH21 ARG B 69 3.094 8.169 28.764 1.00 0.00 H ATOM 695 H ARG B 69 6.550 3.055 26.819 1.00 0.00 H ATOM 696 N ARG B 70 7.138 5.152 24.520 1.00 45.85 N ATOM 697 CA ARG B 70 7.375 5.510 23.116 1.00 45.41 C ATOM 698 C ARG B 70 6.070 5.526 22.267 1.00 45.45 C ATOM 699 O ARG B 70 5.962 6.314 21.316 1.00 41.79 O ATOM 700 CB ARG B 70 8.407 4.528 22.551 1.00 46.64 C ATOM 701 CG ARG B 70 8.769 4.661 21.094 1.00 47.02 C ATOM 702 CD ARG B 70 9.763 5.771 20.801 1.00 48.66 C ATOM 703 NE ARG B 70 10.201 5.593 19.419 1.00 50.90 N ATOM 704 CZ ARG B 70 9.492 5.923 18.334 1.00 50.48 C ATOM 705 NH1 ARG B 70 8.296 6.507 18.430 1.00 51.27 N ATOM 706 NH2 ARG B 70 9.988 5.673 17.125 1.00 48.87 N ATOM 707 HE ARG B 70 11.141 5.175 19.266 1.00 0.00 H ATOM 708 HH12 ARG B 70 7.767 6.753 17.569 1.00 0.00 H ATOM 709 HH11 ARG B 70 7.893 6.716 19.366 1.00 0.00 H ATOM 710 HH22 ARG B 70 9.443 5.927 16.277 1.00 0.00 H ATOM 711 HH21 ARG B 70 10.921 5.224 17.028 1.00 0.00 H ATOM 712 H ARG B 70 7.686 4.369 24.931 1.00 0.00 H ATOM 713 N LEU B 71 5.104 4.658 22.604 1.00 45.18 N ATOM 714 CA LEU B 71 3.741 4.700 22.017 1.00 45.66 C ATOM 715 C LEU B 71 2.769 5.688 22.708 1.00 47.24 C ATOM 716 O LEU B 71 1.658 5.880 22.218 1.00 47.46 O ATOM 717 CB LEU B 71 3.107 3.295 21.997 1.00 43.44 C ATOM 718 CG LEU B 71 3.605 2.311 20.929 1.00 43.57 C ATOM 719 CD1 LEU B 71 3.178 0.883 21.247 1.00 43.29 C ATOM 720 CD2 LEU B 71 3.128 2.701 19.535 1.00 42.46 C ATOM 721 H LEU B 71 5.320 3.923 23.308 1.00 0.00 H ATOM 722 N GLN B 72 3.180 6.271 23.839 1.00 47.47 N ATOM 723 CA GLN B 72 2.411 7.265 24.606 1.00 48.05 C ATOM 724 C GLN B 72 1.072 6.746 25.117 1.00 49.73 C ATOM 725 O GLN B 72 0.086 7.495 25.182 1.00 47.89 O ATOM 726 CB GLN B 72 2.212 8.553 23.804 1.00 50.51 C ATOM 727 CG GLN B 72 3.497 9.139 23.236 1.00 52.36 C ATOM 728 CD GLN B 72 3.561 10.647 23.386 1.00 55.96 C ATOM 729 OE1 GLN B 72 2.623 11.360 23.018 1.00 57.50 O ATOM 730 NE2 GLN B 72 4.670 11.144 23.939 1.00 56.29 N ATOM 731 HE22 GLN B 72 5.435 10.505 24.234 1.00 0.00 H ATOM 732 HE21 GLN B 72 4.768 12.170 24.075 1.00 0.00 H ATOM 733 H GLN B 72 4.115 6.001 24.205 1.00 0.00 H ATOM 734 N LEU B 73 1.057 5.472 25.507 1.00 52.25 N ATOM 735 CA LEU B 73 -0.173 4.782 25.910 1.00 55.22 C ATOM 736 C LEU B 73 -0.609 5.138 27.329 1.00 58.68 C ATOM 737 O LEU B 73 0.224 5.398 28.196 1.00 60.37 O ATOM 738 CB LEU B 73 -0.002 3.262 25.795 1.00 52.47 C ATOM 739 CG LEU B 73 0.335 2.714 24.410 1.00 51.44 C ATOM 740 CD1 LEU B 73 0.463 1.202 24.470 1.00 52.01 C ATOM 741 CD2 LEU B 73 -0.701 3.115 23.369 1.00 51.20 C ATOM 742 H LEU B 73 1.954 4.946 25.526 1.00 0.00 H ATOM 743 N ASN B 74 -1.922 5.111 27.554 1.00 62.34 N ATOM 744 CA ASN B 74 -2.516 5.524 28.828 1.00 65.61 C ATOM 745 C ASN B 74 -2.481 4.400 29.858 1.00 69.83 C ATOM 746 O ASN B 74 -2.026 3.299 29.549 1.00 71.42 O ATOM 747 CB ASN B 74 -3.930 6.049 28.596 1.00 65.88 C ATOM 748 CG ASN B 74 -3.937 7.287 27.717 1.00 71.74 C ATOM 749 OD1 ASN B 74 -3.908 8.415 28.216 1.00 74.22 O ATOM 750 ND2 ASN B 74 -3.930 7.085 26.398 1.00 73.39 N ATOM 751 HD22 ASN B 74 -3.955 6.116 26.020 1.00 0.00 H ATOM 752 HD21 ASN B 74 -3.899 7.896 25.748 1.00 0.00 H ATOM 753 H ASN B 74 -2.551 4.783 26.794 1.00 0.00 H ATOM 754 N ALA B 75 -2.939 4.689 31.078 1.00 71.17 N ATOM 755 CA ALA B 75 -2.839 3.761 32.217 1.00 71.84 C ATOM 756 C ALA B 75 -3.136 2.294 31.889 1.00 72.68 C ATOM 757 O ALA B 75 -2.285 1.424 32.110 1.00 72.96 O ATOM 758 CB ALA B 75 -3.746 4.228 33.350 1.00 71.96 C ATOM 759 H ALA B 75 -3.388 5.614 31.232 1.00 0.00 H ATOM 760 N ASN B 76 -4.325 2.046 31.338 1.00 72.75 N ATOM 761 CA ASN B 76 -4.894 0.694 31.233 1.00 73.55 C ATOM 762 C ASN B 76 -4.996 0.129 29.797 1.00 70.33 C ATOM 763 O ASN B 76 -5.681 -0.873 29.577 1.00 70.19 O ATOM 764 CB ASN B 76 -6.280 0.691 31.917 1.00 76.58 C ATOM 765 CG ASN B 76 -6.607 -0.627 32.612 1.00 79.90 C ATOM 766 OD1 ASN B 76 -5.830 -1.124 33.435 1.00 83.67 O ATOM 767 ND2 ASN B 76 -7.781 -1.182 32.305 1.00 78.90 N ATOM 768 HD22 ASN B 76 -8.404 -0.729 31.606 1.00 0.00 H ATOM 769 HD21 ASN B 76 -8.073 -2.068 32.765 1.00 0.00 H ATOM 770 H ASN B 76 -4.875 2.846 30.965 1.00 0.00 H ATOM 771 N GLN B 77 -4.317 0.751 28.832 1.00 67.25 N ATOM 772 CA GLN B 77 -4.269 0.234 27.452 1.00 65.95 C ATOM 773 C GLN B 77 -3.219 -0.871 27.345 1.00 64.38 C ATOM 774 O GLN B 77 -2.042 -0.583 27.152 1.00 63.26 O ATOM 775 CB GLN B 77 -3.912 1.345 26.449 1.00 65.59 C ATOM 776 CG GLN B 77 -4.990 2.382 26.178 1.00 63.47 C ATOM 777 CD GLN B 77 -4.679 3.194 24.933 1.00 61.12 C ATOM 778 OE1 GLN B 77 -3.701 3.939 24.896 1.00 56.14 O ATOM 779 NE2 GLN B 77 -5.499 3.036 23.899 1.00 62.49 N ATOM 780 HE22 GLN B 77 -6.314 2.395 23.975 1.00 0.00 H ATOM 781 HE21 GLN B 77 -5.325 3.553 23.014 1.00 0.00 H ATOM 782 H GLN B 77 -3.806 1.628 29.060 1.00 0.00 H ATOM 783 N ALA B 78 -3.636 -2.129 27.462 1.00 65.56 N ATOM 784 CA ALA B 78 -2.705 -3.264 27.352 1.00 64.43 C ATOM 785 C ALA B 78 -2.310 -3.550 25.894 1.00 62.13 C ATOM 786 O ALA B 78 -3.133 -3.427 24.977 1.00 57.31 O ATOM 787 CB ALA B 78 -3.307 -4.514 27.981 1.00 65.82 C ATOM 788 H ALA B 78 -4.644 -2.315 27.635 1.00 0.00 H ATOM 789 N PHE B 79 -1.041 -3.916 25.697 1.00 57.06 N ATOM 790 CA PHE B 79 -0.577 -4.470 24.435 1.00 52.69 C ATOM 791 C PHE B 79 0.339 -5.671 24.678 1.00 48.29 C ATOM 792 O PHE B 79 1.034 -5.741 25.682 1.00 41.85 O ATOM 793 CB PHE B 79 0.097 -3.398 23.579 1.00 56.78 C ATOM 794 CG PHE B 79 1.546 -3.170 23.896 1.00 59.33 C ATOM 795 CD1 PHE B 79 2.531 -3.954 23.301 1.00 60.47 C ATOM 796 CD2 PHE B 79 1.935 -2.159 24.760 1.00 62.27 C ATOM 797 CE1 PHE B 79 3.867 -3.744 23.580 1.00 60.87 C ATOM 798 CE2 PHE B 79 3.277 -1.949 25.034 1.00 63.54 C ATOM 799 CZ PHE B 79 4.242 -2.742 24.447 1.00 61.59 C ATOM 800 H PHE B 79 -0.360 -3.801 26.474 1.00 0.00 H ATOM 801 N PHE B 80 0.312 -6.611 23.740 1.00 42.77 N ATOM 802 CA PHE B 80 1.054 -7.855 23.812 1.00 42.58 C ATOM 803 C PHE B 80 2.108 -7.809 22.690 1.00 35.77 C ATOM 804 O PHE B 80 1.809 -7.331 21.596 1.00 36.84 O ATOM 805 CB PHE B 80 0.069 -9.031 23.629 1.00 47.59 C ATOM 806 CG PHE B 80 -0.724 -9.402 24.883 1.00 55.06 C ATOM 807 CD1 PHE B 80 -0.993 -8.479 25.918 1.00 56.87 C ATOM 808 CD2 PHE B 80 -1.241 -10.696 25.013 1.00 60.47 C ATOM 809 CE1 PHE B 80 -1.719 -8.852 27.046 1.00 60.74 C ATOM 810 CE2 PHE B 80 -1.968 -11.073 26.141 1.00 62.55 C ATOM 811 CZ PHE B 80 -2.206 -10.152 27.160 1.00 63.01 C ATOM 812 H PHE B 80 -0.279 -6.444 22.901 1.00 0.00 H ATOM 813 N LEU B 81 3.337 -8.238 22.966 1.00 29.04 N ATOM 814 CA LEU B 81 4.365 -8.415 21.917 1.00 27.38 C ATOM 815 C LEU B 81 4.433 -9.880 21.507 1.00 26.10 C ATOM 816 O LEU B 81 4.855 -10.713 22.315 1.00 28.30 O ATOM 817 CB LEU B 81 5.774 -7.978 22.375 1.00 26.05 C ATOM 818 CG LEU B 81 6.060 -6.488 22.441 1.00 25.89 C ATOM 819 CD1 LEU B 81 7.370 -6.217 23.166 1.00 26.26 C ATOM 820 CD2 LEU B 81 6.065 -5.845 21.062 1.00 25.12 C ATOM 821 H LEU B 81 3.583 -8.456 23.953 1.00 0.00 H ATOM 822 N LEU B 82 4.029 -10.176 20.274 1.00 23.29 N ATOM 823 CA LEU B 82 4.187 -11.504 19.664 1.00 23.95 C ATOM 824 C LEU B 82 5.545 -11.501 18.977 1.00 22.69 C ATOM 825 O LEU B 82 5.847 -10.616 18.182 1.00 22.58 O ATOM 826 CB LEU B 82 3.053 -11.780 18.649 1.00 23.96 C ATOM 827 CG LEU B 82 2.958 -13.071 17.816 1.00 25.28 C ATOM 828 CD1 LEU B 82 2.801 -14.314 18.671 1.00 26.46 C ATOM 829 CD2 LEU B 82 1.780 -12.974 16.833 1.00 25.88 C ATOM 830 H LEU B 82 3.577 -9.427 19.712 1.00 0.00 H ATOM 831 N VAL B 83 6.369 -12.476 19.302 1.00 22.38 N ATOM 832 CA VAL B 83 7.731 -12.568 18.782 1.00 22.31 C ATOM 833 C VAL B 83 7.847 -13.699 17.766 1.00 22.38 C ATOM 834 O VAL B 83 7.388 -14.821 18.025 1.00 21.29 O ATOM 835 CB VAL B 83 8.730 -12.837 19.906 1.00 22.18 C ATOM 836 CG1 VAL B 83 10.155 -12.894 19.339 1.00 22.92 C ATOM 837 CG2 VAL B 83 8.584 -11.777 20.986 1.00 22.00 C ATOM 838 H VAL B 83 6.036 -13.212 19.957 1.00 0.00 H ATOM 839 N ASN B 84 8.480 -13.396 16.627 1.00 22.50 N ATOM 840 CA ASN B 84 8.730 -14.376 15.570 1.00 23.89 C ATOM 841 C ASN B 84 7.452 -15.082 15.152 1.00 25.82 C ATOM 842 O ASN B 84 7.444 -16.285 14.924 1.00 27.91 O ATOM 843 CB ASN B 84 9.784 -15.405 16.037 1.00 23.27 C ATOM 844 CG ASN B 84 10.223 -16.349 14.932 1.00 22.35 C ATOM 845 OD1 ASN B 84 10.387 -15.945 13.784 1.00 22.31 O ATOM 846 ND2 ASN B 84 10.399 -17.611 15.273 1.00 20.44 N ATOM 847 HD22 ASN B 84 10.249 -17.909 16.258 1.00 0.00 H ATOM 848 HD21 ASN B 84 10.688 -18.308 14.557 1.00 0.00 H ATOM 849 H ASN B 84 8.809 -12.420 16.487 1.00 0.00 H ATOM 850 N GLY B 85 6.350 -14.341 15.110 1.00 28.46 N ATOM 851 CA GLY B 85 5.065 -14.882 14.664 1.00 29.86 C ATOM 852 C GLY B 85 4.290 -15.803 15.598 1.00 31.83 C ATOM 853 O GLY B 85 3.065 -15.827 15.529 1.00 31.52 O ATOM 854 H GLY B 85 6.402 -13.345 15.403 1.00 0.00 H ATOM 855 N HIS B 86 4.969 -16.576 16.451 1.00 33.72 N ATOM 856 CA HIS B 86 4.308 -17.647 17.202 1.00 36.33 C ATOM 857 C HIS B 86 4.516 -17.651 18.728 1.00 35.34 C ATOM 858 O HIS B 86 3.964 -18.525 19.385 1.00 35.67 O ATOM 859 CB HIS B 86 4.730 -19.032 16.659 1.00 41.79 C ATOM 860 CG HIS B 86 5.139 -19.046 15.215 1.00 49.85 C ATOM 861 ND1 HIS B 86 4.311 -18.631 14.193 1.00 55.13 N ATOM 862 CD2 HIS B 86 6.286 -19.456 14.622 1.00 53.67 C ATOM 863 CE1 HIS B 86 4.934 -18.769 13.036 1.00 56.69 C ATOM 864 NE2 HIS B 86 6.136 -19.266 13.269 1.00 55.78 N ATOM 865 H HIS B 86 5.988 -16.414 16.585 1.00 0.00 H ATOM 866 N SER B 87 5.280 -16.721 19.303 1.00 34.47 N ATOM 867 CA SER B 87 5.714 -16.862 20.715 1.00 35.35 C ATOM 868 C SER B 87 5.330 -15.680 21.617 1.00 37.25 C ATOM 869 O SER B 87 5.385 -14.520 21.209 1.00 37.11 O ATOM 870 CB SER B 87 7.229 -17.083 20.791 1.00 34.77 C ATOM 871 OG SER B 87 7.705 -17.764 19.640 1.00 35.09 O ATOM 872 HG SER B 87 8.684 -17.893 19.715 1.00 0.00 H ATOM 873 H SER B 87 5.575 -15.887 18.755 1.00 0.00 H ATOM 874 N MET B 88 4.937 -16.015 22.840 1.00 39.09 N ATOM 875 CA MET B 88 4.592 -15.077 23.890 1.00 42.90 C ATOM 876 C MET B 88 5.583 -15.366 25.016 1.00 40.88 C ATOM 877 O MET B 88 5.409 -16.305 25.798 1.00 41.94 O ATOM 878 CB MET B 88 3.158 -15.334 24.361 1.00 47.03 C ATOM 879 CG MET B 88 2.081 -14.917 23.368 1.00 50.69 C ATOM 880 SD MET B 88 1.847 -13.128 23.192 1.00 54.41 S ATOM 881 CE MET B 88 1.325 -12.650 24.843 1.00 53.82 C ATOM 882 H MET B 88 4.872 -17.029 23.062 1.00 0.00 H ATOM 883 N VAL B 89 6.638 -14.567 25.067 1.00 36.53 N ATOM 884 CA VAL B 89 7.784 -14.829 25.926 1.00 32.96 C ATOM 885 C VAL B 89 7.525 -14.312 27.346 1.00 30.99 C ATOM 886 O VAL B 89 7.000 -13.207 27.532 1.00 29.86 O ATOM 887 CB VAL B 89 9.044 -14.181 25.301 1.00 32.74 C ATOM 888 CG1 VAL B 89 10.231 -14.236 26.246 1.00 34.36 C ATOM 889 CG2 VAL B 89 9.376 -14.881 23.993 1.00 32.77 C ATOM 890 H VAL B 89 6.648 -13.717 24.468 1.00 0.00 H ATOM 891 N SER B 90 7.903 -15.095 28.354 1.00 29.84 N ATOM 892 CA SER B 90 7.776 -14.632 29.743 1.00 30.49 C ATOM 893 C SER B 90 8.543 -13.315 29.912 1.00 30.68 C ATOM 894 O SER B 90 9.582 -13.116 29.276 1.00 33.63 O ATOM 895 CB SER B 90 8.256 -15.675 30.754 1.00 29.92 C ATOM 896 OG SER B 90 9.648 -15.594 30.959 1.00 29.86 O ATOM 897 HG SER B 90 10.116 -15.750 30.101 1.00 0.00 H ATOM 898 H SER B 90 8.290 -16.040 28.157 1.00 0.00 H ATOM 899 N VAL B 91 8.013 -12.423 30.746 1.00 30.77 N ATOM 900 CA VAL B 91 8.479 -11.038 30.798 1.00 32.43 C ATOM 901 C VAL B 91 9.887 -10.914 31.366 1.00 31.91 C ATOM 902 O VAL B 91 10.598 -9.983 31.028 1.00 34.07 O ATOM 903 CB VAL B 91 7.495 -10.087 31.542 1.00 32.28 C ATOM 904 CG1 VAL B 91 6.106 -10.166 30.916 1.00 33.25 C ATOM 905 CG2 VAL B 91 7.442 -10.359 33.037 1.00 31.23 C ATOM 906 H VAL B 91 7.244 -12.720 31.380 1.00 0.00 H ATOM 907 N SER B 92 10.279 -11.866 32.200 1.00 32.17 N ATOM 908 CA SER B 92 11.592 -11.864 32.821 1.00 33.97 C ATOM 909 C SER B 92 12.752 -12.203 31.860 1.00 32.84 C ATOM 910 O SER B 92 13.894 -11.819 32.130 1.00 34.73 O ATOM 911 CB SER B 92 11.581 -12.806 34.038 1.00 36.34 C ATOM 912 OG SER B 92 10.910 -14.039 33.766 1.00 39.15 O ATOM 913 HG SER B 92 10.929 -14.609 34.575 1.00 0.00 H ATOM 914 H SER B 92 9.623 -12.643 32.418 1.00 0.00 H ATOM 915 N THR B 93 12.457 -12.878 30.743 1.00 30.55 N ATOM 916 CA THR B 93 13.476 -13.333 29.790 1.00 28.94 C ATOM 917 C THR B 93 14.319 -12.182 29.225 1.00 27.91 C ATOM 918 O THR B 93 13.768 -11.199 28.753 1.00 25.88 O ATOM 919 CB THR B 93 12.849 -14.054 28.572 1.00 29.72 C ATOM 920 OG1 THR B 93 11.843 -14.979 28.996 1.00 30.75 O ATOM 921 CG2 THR B 93 13.928 -14.811 27.759 1.00 28.90 C ATOM 922 HG1 THR B 93 11.131 -14.491 29.481 1.00 0.00 H ATOM 923 H THR B 93 11.459 -13.090 30.541 1.00 0.00 H ATOM 924 N PRO B 94 15.659 -12.294 29.282 1.00 28.21 N ATOM 925 CA PRO B 94 16.466 -11.311 28.560 1.00 26.41 C ATOM 926 C PRO B 94 16.290 -11.423 27.056 1.00 25.18 C ATOM 927 O PRO B 94 16.082 -12.520 26.528 1.00 24.80 O ATOM 928 CB PRO B 94 17.895 -11.657 28.961 1.00 26.95 C ATOM 929 CG PRO B 94 17.836 -13.031 29.507 1.00 27.44 C ATOM 930 CD PRO B 94 16.496 -13.157 30.134 1.00 28.38 C ATOM 931 N ILE B 95 16.374 -10.289 26.379 1.00 25.19 N ATOM 932 CA ILE B 95 16.217 -10.248 24.929 1.00 25.66 C ATOM 933 C ILE B 95 17.377 -10.925 24.191 1.00 26.61 C ATOM 934 O ILE B 95 17.159 -11.455 23.106 1.00 27.82 O ATOM 935 CB ILE B 95 15.970 -8.806 24.414 1.00 25.48 C ATOM 936 CG1 ILE B 95 15.339 -8.833 23.012 1.00 25.29 C ATOM 937 CG2 ILE B 95 17.251 -7.986 24.420 1.00 26.48 C ATOM 938 CD1 ILE B 95 14.893 -7.472 22.541 1.00 25.75 C ATOM 939 H ILE B 95 16.557 -9.404 26.894 1.00 0.00 H ATOM 940 N SER B 96 18.586 -10.941 24.775 1.00 26.83 N ATOM 941 CA SER B 96 19.716 -11.725 24.211 1.00 28.58 C ATOM 942 C SER B 96 19.411 -13.207 24.042 1.00 26.33 C ATOM 943 O SER B 96 19.918 -13.848 23.137 1.00 26.12 O ATOM 944 CB SER B 96 21.002 -11.581 25.057 1.00 30.61 C ATOM 945 OG SER B 96 20.782 -11.866 26.439 1.00 32.71 O ATOM 946 HG SER B 96 21.632 -11.760 26.936 1.00 0.00 H ATOM 947 H SER B 96 18.736 -10.391 25.645 1.00 0.00 H ATOM 948 N GLU B 97 18.615 -13.742 24.948 1.00 27.02 N ATOM 949 CA GLU B 97 18.191 -15.132 24.911 1.00 27.26 C ATOM 950 C GLU B 97 17.070 -15.316 23.910 1.00 26.86 C ATOM 951 O GLU B 97 17.062 -16.298 23.177 1.00 26.38 O ATOM 952 CB GLU B 97 17.721 -15.562 26.304 1.00 29.29 C ATOM 953 CG GLU B 97 17.290 -17.013 26.404 1.00 31.45 C ATOM 954 CD GLU B 97 17.090 -17.500 27.830 1.00 33.21 C ATOM 955 OE1 GLU B 97 16.520 -18.596 27.988 1.00 37.06 O ATOM 956 OE2 GLU B 97 17.499 -16.839 28.803 1.00 34.42 O ATOM 957 H GLU B 97 18.275 -13.141 25.725 1.00 0.00 H ATOM 958 N VAL B 98 16.124 -14.366 23.904 1.00 26.02 N ATOM 959 CA VAL B 98 15.055 -14.296 22.893 1.00 24.01 C ATOM 960 C VAL B 98 15.622 -14.162 21.479 1.00 23.55 C ATOM 961 O VAL B 98 15.101 -14.776 20.559 1.00 23.14 O ATOM 962 CB VAL B 98 14.070 -13.124 23.155 1.00 23.24 C ATOM 963 CG1 VAL B 98 13.093 -12.944 22.002 1.00 23.12 C ATOM 964 CG2 VAL B 98 13.302 -13.356 24.446 1.00 23.82 C ATOM 965 H VAL B 98 16.146 -13.642 24.651 1.00 0.00 H ATOM 966 N TYR B 99 16.660 -13.353 21.294 1.00 23.07 N ATOM 967 CA TYR B 99 17.332 -13.297 19.996 1.00 24.38 C ATOM 968 C TYR B 99 17.856 -14.679 19.613 1.00 26.01 C ATOM 969 O TYR B 99 17.570 -15.167 18.534 1.00 22.47 O ATOM 970 CB TYR B 99 18.466 -12.265 20.003 1.00 24.62 C ATOM 971 CG TYR B 99 19.131 -12.001 18.657 1.00 23.69 C ATOM 972 CD1 TYR B 99 18.415 -11.471 17.598 1.00 24.07 C ATOM 973 CD2 TYR B 99 20.486 -12.267 18.457 1.00 24.65 C ATOM 974 CE1 TYR B 99 19.012 -11.231 16.375 1.00 23.72 C ATOM 975 CE2 TYR B 99 21.099 -12.020 17.243 1.00 24.05 C ATOM 976 CZ TYR B 99 20.358 -11.508 16.204 1.00 24.60 C ATOM 977 OH TYR B 99 20.973 -11.254 15.004 1.00 24.55 O ATOM 978 HH TYR B 99 21.354 -12.095 14.645 1.00 0.00 H ATOM 979 H TYR B 99 16.996 -12.756 22.077 1.00 0.00 H ATOM 980 N GLU B 100 18.597 -15.328 20.508 1.00 31.08 N ATOM 981 CA GLU B 100 19.238 -16.605 20.132 1.00 35.70 C ATOM 982 C GLU B 100 18.245 -17.730 19.886 1.00 34.14 C ATOM 983 O GLU B 100 18.484 -18.583 19.029 1.00 31.37 O ATOM 984 CB GLU B 100 20.341 -17.026 21.112 1.00 39.01 C ATOM 985 CG GLU B 100 21.668 -16.297 20.860 1.00 45.94 C ATOM 986 CD GLU B 100 22.168 -16.378 19.406 1.00 48.81 C ATOM 987 OE1 GLU B 100 22.664 -15.359 18.874 1.00 49.28 O ATOM 988 OE2 GLU B 100 22.058 -17.463 18.789 1.00 53.95 O ATOM 989 H GLU B 100 18.724 -14.939 21.464 1.00 0.00 H ATOM 990 N SER B 101 17.109 -17.680 20.573 1.00 33.13 N ATOM 991 CA SER B 101 16.073 -18.689 20.404 1.00 35.64 C ATOM 992 C SER B 101 15.032 -18.363 19.316 1.00 33.49 C ATOM 993 O SER B 101 14.523 -19.289 18.687 1.00 31.92 O ATOM 994 CB SER B 101 15.409 -18.946 21.758 1.00 38.27 C ATOM 995 OG SER B 101 16.414 -19.268 22.723 1.00 39.26 O ATOM 996 HG SER B 101 17.048 -18.512 22.802 1.00 0.00 H ATOM 997 H SER B 101 16.956 -16.903 21.247 1.00 0.00 H ATOM 998 N GLU B 102 14.728 -17.072 19.098 1.00 30.55 N ATOM 999 CA GLU B 102 13.632 -16.638 18.205 1.00 28.95 C ATOM 1000 C GLU B 102 14.002 -15.786 16.974 1.00 28.24 C ATOM 1001 O GLU B 102 13.096 -15.411 16.202 1.00 26.02 O ATOM 1002 CB GLU B 102 12.565 -15.873 19.016 1.00 29.31 C ATOM 1003 CG GLU B 102 11.945 -16.661 20.165 1.00 28.65 C ATOM 1004 CD GLU B 102 11.048 -17.806 19.719 1.00 29.18 C ATOM 1005 OE1 GLU B 102 10.862 -18.038 18.505 1.00 29.71 O ATOM 1006 OE2 GLU B 102 10.496 -18.482 20.608 1.00 31.92 O ATOM 1007 H GLU B 102 15.291 -16.343 19.581 1.00 0.00 H ATOM 1008 N LYS B 103 15.288 -15.512 16.745 1.00 26.93 N ATOM 1009 CA LYS B 103 15.665 -14.716 15.577 1.00 28.89 C ATOM 1010 C LYS B 103 15.286 -15.392 14.263 1.00 29.04 C ATOM 1011 O LYS B 103 15.300 -16.624 14.138 1.00 30.20 O ATOM 1012 CB LYS B 103 17.149 -14.338 15.548 1.00 29.98 C ATOM 1013 CG LYS B 103 18.102 -15.475 15.238 1.00 32.16 C ATOM 1014 CD LYS B 103 19.534 -15.064 15.522 1.00 34.23 C ATOM 1015 CE LYS B 103 20.522 -16.135 15.078 1.00 37.23 C ATOM 1016 NZ LYS B 103 20.315 -17.453 15.750 1.00 39.35 N ATOM 1017 HZ1 LYS B 103 20.422 -17.337 16.778 1.00 0.00 H ATOM 1018 HZ2 LYS B 103 19.359 -17.803 15.537 1.00 0.00 H ATOM 1019 HZ3 LYS B 103 21.020 -18.133 15.401 1.00 0.00 H ATOM 1020 H LYS B 103 16.020 -15.863 17.395 1.00 0.00 H ATOM 1021 N ASP B 104 14.962 -14.553 13.290 1.00 27.22 N ATOM 1022 CA ASP B 104 14.602 -14.972 11.950 1.00 27.32 C ATOM 1023 C ASP B 104 15.853 -15.481 11.250 1.00 26.24 C ATOM 1024 O ASP B 104 16.961 -15.233 11.714 1.00 24.92 O ATOM 1025 CB ASP B 104 14.037 -13.759 11.214 1.00 27.88 C ATOM 1026 CG ASP B 104 13.336 -14.105 9.948 1.00 28.42 C ATOM 1027 OD1 ASP B 104 12.190 -14.586 10.024 1.00 30.93 O ATOM 1028 OD2 ASP B 104 13.906 -13.849 8.868 1.00 28.67 O ATOM 1029 H ASP B 104 14.966 -13.534 13.500 1.00 0.00 H ATOM 1030 N GLU B 105 15.659 -16.208 10.148 1.00 26.10 N ATOM 1031 CA GLU B 105 16.743 -16.678 9.277 1.00 26.71 C ATOM 1032 C GLU B 105 17.592 -15.536 8.704 1.00 27.46 C ATOM 1033 O GLU B 105 18.805 -15.677 8.549 1.00 30.24 O ATOM 1034 CB GLU B 105 16.183 -17.519 8.117 1.00 27.65 C ATOM 1035 CG GLU B 105 15.544 -18.840 8.533 1.00 28.38 C ATOM 1036 CD GLU B 105 14.014 -18.795 8.558 1.00 32.16 C ATOM 1037 OE1 GLU B 105 13.419 -19.811 8.109 1.00 36.94 O ATOM 1038 OE2 GLU B 105 13.403 -17.765 9.000 1.00 30.33 O ATOM 1039 H GLU B 105 14.682 -16.456 9.891 1.00 0.00 H ATOM 1040 N ASP B 106 16.955 -14.409 8.398 1.00 26.80 N ATOM 1041 CA ASP B 106 17.662 -13.227 7.901 1.00 26.62 C ATOM 1042 C ASP B 106 18.535 -12.507 8.953 1.00 25.34 C ATOM 1043 O ASP B 106 19.289 -11.607 8.595 1.00 25.09 O ATOM 1044 CB ASP B 106 16.677 -12.263 7.218 1.00 27.09 C ATOM 1045 CG ASP B 106 15.840 -11.432 8.207 1.00 27.24 C ATOM 1046 OD1 ASP B 106 15.973 -11.564 9.435 1.00 26.04 O ATOM 1047 OD2 ASP B 106 15.020 -10.634 7.729 1.00 28.86 O ATOM 1048 H ASP B 106 15.923 -14.366 8.515 1.00 0.00 H ATOM 1049 N GLY B 107 18.414 -12.899 10.228 1.00 23.67 N ATOM 1050 CA GLY B 107 19.192 -12.341 11.329 1.00 22.58 C ATOM 1051 C GLY B 107 18.476 -11.245 12.119 1.00 21.83 C ATOM 1052 O GLY B 107 18.964 -10.822 13.168 1.00 19.35 O ATOM 1053 H GLY B 107 17.724 -13.646 10.446 1.00 0.00 H ATOM 1054 N PHE B 108 17.341 -10.752 11.621 1.00 20.73 N ATOM 1055 CA PHE B 108 16.507 -9.858 12.449 1.00 21.08 C ATOM 1056 C PHE B 108 15.684 -10.653 13.500 1.00 20.21 C ATOM 1057 O PHE B 108 15.467 -11.855 13.360 1.00 19.39 O ATOM 1058 CB PHE B 108 15.623 -8.973 11.575 1.00 21.80 C ATOM 1059 CG PHE B 108 16.361 -7.843 10.885 1.00 20.97 C ATOM 1060 CD1 PHE B 108 16.758 -6.717 11.599 1.00 21.54 C ATOM 1061 CD2 PHE B 108 16.621 -7.890 9.529 1.00 20.74 C ATOM 1062 CE1 PHE B 108 17.420 -5.664 10.975 1.00 21.18 C ATOM 1063 CE2 PHE B 108 17.286 -6.845 8.897 1.00 21.66 C ATOM 1064 CZ PHE B 108 17.684 -5.727 9.624 1.00 21.19 C ATOM 1065 H PHE B 108 17.045 -10.996 10.654 1.00 0.00 H ATOM 1066 N LEU B 109 15.321 -9.990 14.590 1.00 19.78 N ATOM 1067 CA LEU B 109 14.320 -10.489 15.532 1.00 20.03 C ATOM 1068 C LEU B 109 13.042 -9.695 15.265 1.00 19.88 C ATOM 1069 O LEU B 109 13.047 -8.469 15.420 1.00 20.16 O ATOM 1070 CB LEU B 109 14.797 -10.275 16.972 1.00 19.89 C ATOM 1071 CG LEU B 109 13.897 -10.681 18.157 1.00 19.67 C ATOM 1072 CD1 LEU B 109 13.711 -12.184 18.213 1.00 20.01 C ATOM 1073 CD2 LEU B 109 14.476 -10.193 19.470 1.00 18.62 C ATOM 1074 H LEU B 109 15.769 -9.072 14.784 1.00 0.00 H ATOM 1075 N TYR B 110 11.963 -10.375 14.875 1.00 20.20 N ATOM 1076 CA TYR B 110 10.709 -9.700 14.446 1.00 20.49 C ATOM 1077 C TYR B 110 9.651 -9.740 15.529 1.00 20.95 C ATOM 1078 O TYR B 110 9.404 -10.817 16.109 1.00 21.78 O ATOM 1079 CB TYR B 110 10.134 -10.356 13.187 1.00 19.67 C ATOM 1080 CG TYR B 110 10.927 -10.066 11.944 1.00 19.30 C ATOM 1081 CD1 TYR B 110 12.099 -10.772 11.658 1.00 19.31 C ATOM 1082 CD2 TYR B 110 10.524 -9.078 11.051 1.00 18.58 C ATOM 1083 CE1 TYR B 110 12.840 -10.499 10.516 1.00 18.56 C ATOM 1084 CE2 TYR B 110 11.251 -8.804 9.903 1.00 18.07 C ATOM 1085 CZ TYR B 110 12.407 -9.504 9.632 1.00 18.09 C ATOM 1086 OH TYR B 110 13.123 -9.195 8.486 1.00 16.76 O ATOM 1087 HH TYR B 110 13.921 -9.778 8.430 1.00 0.00 H ATOM 1088 H TYR B 110 12.000 -11.414 14.871 1.00 0.00 H ATOM 1089 N MET B 111 9.019 -8.584 15.776 1.00 19.59 N ATOM 1090 CA MET B 111 7.889 -8.471 16.699 1.00 19.15 C ATOM 1091 C MET B 111 6.738 -7.620 16.147 1.00 18.94 C ATOM 1092 O MET B 111 6.972 -6.637 15.449 1.00 18.75 O ATOM 1093 CB MET B 111 8.333 -7.860 18.028 1.00 20.22 C ATOM 1094 CG MET B 111 9.628 -8.383 18.605 1.00 20.06 C ATOM 1095 SD MET B 111 9.825 -7.752 20.275 1.00 23.10 S ATOM 1096 CE MET B 111 11.351 -8.569 20.777 1.00 23.60 C ATOM 1097 H MET B 111 9.347 -7.726 15.288 1.00 0.00 H ATOM 1098 N VAL B 112 5.502 -8.016 16.463 1.00 18.50 N ATOM 1099 CA VAL B 112 4.312 -7.210 16.220 1.00 19.29 C ATOM 1100 C VAL B 112 3.568 -6.955 17.548 1.00 20.20 C ATOM 1101 O VAL B 112 3.581 -7.802 18.457 1.00 20.42 O ATOM 1102 CB VAL B 112 3.377 -7.798 15.134 1.00 19.96 C ATOM 1103 CG1 VAL B 112 4.117 -7.910 13.805 1.00 20.71 C ATOM 1104 CG2 VAL B 112 2.804 -9.150 15.530 1.00 20.66 C ATOM 1105 H VAL B 112 5.382 -8.949 16.906 1.00 0.00 H ATOM 1106 N TYR B 113 2.948 -5.785 17.671 1.00 19.00 N ATOM 1107 CA TYR B 113 2.236 -5.435 18.895 1.00 20.25 C ATOM 1108 C TYR B 113 0.732 -5.338 18.627 1.00 19.54 C ATOM 1109 O TYR B 113 0.294 -4.884 17.559 1.00 17.85 O ATOM 1110 CB TYR B 113 2.782 -4.150 19.542 1.00 20.67 C ATOM 1111 CG TYR B 113 2.748 -2.895 18.667 1.00 20.52 C ATOM 1112 CD1 TYR B 113 1.603 -2.096 18.588 1.00 21.08 C ATOM 1113 CD2 TYR B 113 3.871 -2.495 17.947 1.00 21.05 C ATOM 1114 CE1 TYR B 113 1.582 -0.948 17.799 1.00 20.74 C ATOM 1115 CE2 TYR B 113 3.864 -1.341 17.165 1.00 20.39 C ATOM 1116 CZ TYR B 113 2.719 -0.581 17.091 1.00 20.58 C ATOM 1117 OH TYR B 113 2.719 0.544 16.320 1.00 21.41 O ATOM 1118 HH TYR B 113 1.830 0.977 16.370 1.00 0.00 H ATOM 1119 H TYR B 113 2.971 -5.108 16.882 1.00 0.00 H ATOM 1120 N ALA B 114 -0.038 -5.807 19.599 1.00 20.66 N ATOM 1121 CA ALA B 114 -1.514 -5.790 19.535 1.00 21.88 C ATOM 1122 C ALA B 114 -2.082 -5.939 20.929 1.00 22.11 C ATOM 1123 O ALA B 114 -1.456 -6.542 21.773 1.00 22.09 O ATOM 1124 CB ALA B 114 -2.021 -6.924 18.656 1.00 21.72 C ATOM 1125 H ALA B 114 0.418 -6.205 20.445 1.00 0.00 H ATOM 1126 N SER B 115 -3.271 -5.397 21.165 1.00 24.69 N ATOM 1127 CA SER B 115 -4.004 -5.633 22.420 1.00 24.58 C ATOM 1128 C SER B 115 -4.368 -7.095 22.520 1.00 26.79 C ATOM 1129 O SER B 115 -4.483 -7.789 21.485 1.00 25.31 O ATOM 1130 CB SER B 115 -5.275 -4.771 22.482 1.00 25.67 C ATOM 1131 OG SER B 115 -6.082 -4.885 21.304 1.00 24.33 O ATOM 1132 HG SER B 115 -5.557 -4.594 20.516 1.00 0.00 H ATOM 1133 H SER B 115 -3.698 -4.786 20.440 1.00 0.00 H ATOM 1134 N GLN B 116 -4.544 -7.576 23.758 1.00 28.63 N ATOM 1135 CA GLN B 116 -5.064 -8.929 23.977 1.00 31.45 C ATOM 1136 C GLN B 116 -6.439 -9.114 23.324 1.00 30.58 C ATOM 1137 O GLN B 116 -6.764 -10.175 22.808 1.00 30.43 O ATOM 1138 CB GLN B 116 -5.114 -9.277 25.476 1.00 34.27 C ATOM 1139 CG GLN B 116 -6.095 -8.477 26.336 1.00 35.28 C ATOM 1140 CD GLN B 116 -6.057 -8.835 27.823 1.00 35.78 C ATOM 1141 OE1 GLN B 116 -5.417 -9.801 28.243 1.00 37.54 O ATOM 1142 NE2 GLN B 116 -6.762 -8.052 28.626 1.00 37.26 N ATOM 1143 HE22 GLN B 116 -7.290 -7.246 28.235 1.00 0.00 H ATOM 1144 HE21 GLN B 116 -6.788 -8.244 29.648 1.00 0.00 H ATOM 1145 H GLN B 116 -4.308 -6.980 24.577 1.00 0.00 H ATOM 1146 N GLU B 117 -7.227 -8.054 23.335 1.00 32.90 N ATOM 1147 CA GLU B 117 -8.585 -8.101 22.819 1.00 35.57 C ATOM 1148 C GLU B 117 -8.564 -8.262 21.305 1.00 32.06 C ATOM 1149 O GLU B 117 -9.385 -8.981 20.759 1.00 33.32 O ATOM 1150 CB GLU B 117 -9.372 -6.860 23.259 1.00 38.50 C ATOM 1151 CG GLU B 117 -9.686 -6.824 24.763 1.00 42.20 C ATOM 1152 CD GLU B 117 -8.549 -6.325 25.658 1.00 46.60 C ATOM 1153 OE1 GLU B 117 -7.453 -5.943 25.164 1.00 45.18 O ATOM 1154 OE2 GLU B 117 -8.755 -6.322 26.889 1.00 52.87 O ATOM 1155 H GLU B 117 -6.865 -7.160 23.724 1.00 0.00 H ATOM 1156 N THR B 118 -7.582 -7.635 20.653 1.00 30.46 N ATOM 1157 CA THR B 118 -7.348 -7.783 19.214 1.00 26.59 C ATOM 1158 C THR B 118 -6.886 -9.189 18.858 1.00 25.74 C ATOM 1159 O THR B 118 -7.333 -9.736 17.856 1.00 23.67 O ATOM 1160 CB THR B 118 -6.352 -6.716 18.682 1.00 25.74 C ATOM 1161 OG1 THR B 118 -7.001 -5.442 18.595 1.00 22.63 O ATOM 1162 CG2 THR B 118 -5.799 -7.068 17.300 1.00 26.08 C ATOM 1163 HG1 THR B 118 -6.360 -4.769 18.255 1.00 0.00 H ATOM 1164 H THR B 118 -6.951 -7.010 21.194 1.00 0.00 H ATOM 1165 N PHE B 119 -5.983 -9.767 19.647 1.00 27.34 N ATOM 1166 CA PHE B 119 -5.534 -11.151 19.394 1.00 28.05 C ATOM 1167 C PHE B 119 -6.657 -12.119 19.705 1.00 24.92 C ATOM 1168 O PHE B 119 -6.901 -13.031 18.957 1.00 23.92 O ATOM 1169 CB PHE B 119 -4.262 -11.524 20.185 1.00 31.71 C ATOM 1170 CG PHE B 119 -2.955 -10.981 19.601 1.00 35.21 C ATOM 1171 CD1 PHE B 119 -2.705 -10.959 18.220 1.00 35.38 C ATOM 1172 CD2 PHE B 119 -1.933 -10.541 20.460 1.00 37.27 C ATOM 1173 CE1 PHE B 119 -1.495 -10.483 17.723 1.00 37.34 C ATOM 1174 CE2 PHE B 119 -0.725 -10.060 19.963 1.00 35.33 C ATOM 1175 CZ PHE B 119 -0.503 -10.036 18.596 1.00 36.29 C ATOM 1176 H PHE B 119 -5.589 -9.238 20.451 1.00 0.00 H ATOM 1177 N GLY B 120 -7.355 -11.893 20.801 1.00 26.30 N ATOM 1178 CA GLY B 120 -8.540 -12.677 21.128 1.00 29.46 C ATOM 1179 C GLY B 120 -9.577 -12.695 20.013 1.00 29.22 C ATOM 1180 O GLY B 120 -10.034 -13.756 19.595 1.00 28.98 O ATOM 1181 H GLY B 120 -7.053 -11.137 21.448 1.00 0.00 H ATOM 1182 N MET B 121 -9.908 -11.505 19.525 1.00 30.34 N ATOM 1183 CA MET B 121 -10.951 -11.313 18.509 1.00 31.12 C ATOM 1184 C MET B 121 -10.608 -12.097 17.251 1.00 30.40 C ATOM 1185 O MET B 121 -11.467 -12.782 16.678 1.00 30.05 O ATOM 1186 CB MET B 121 -11.129 -9.807 18.221 1.00 31.08 C ATOM 1187 CG MET B 121 -12.152 -9.441 17.151 1.00 31.16 C ATOM 1188 SD MET B 121 -11.467 -9.615 15.509 1.00 31.79 S ATOM 1189 CE MET B 121 -10.177 -8.369 15.482 1.00 30.94 C ATOM 1190 H MET B 121 -9.404 -10.668 19.880 1.00 0.00 H ATOM 1191 N LYS B 122 -9.347 -12.016 16.847 1.00 30.29 N ATOM 1192 CA LYS B 122 -8.861 -12.716 15.660 1.00 32.64 C ATOM 1193 C LYS B 122 -8.805 -14.244 15.810 1.00 32.59 C ATOM 1194 O LYS B 122 -9.042 -14.956 14.841 1.00 30.96 O ATOM 1195 CB LYS B 122 -7.481 -12.185 15.255 1.00 34.22 C ATOM 1196 CG LYS B 122 -7.470 -10.739 14.774 1.00 36.16 C ATOM 1197 CD LYS B 122 -8.275 -10.533 13.490 1.00 38.47 C ATOM 1198 CE LYS B 122 -7.819 -9.298 12.722 1.00 39.54 C ATOM 1199 NZ LYS B 122 -8.567 -9.153 11.442 1.00 40.68 N ATOM 1200 HZ1 LYS B 122 -8.404 -9.992 10.849 1.00 0.00 H ATOM 1201 HZ2 LYS B 122 -9.583 -9.062 11.644 1.00 0.00 H ATOM 1202 HZ3 LYS B 122 -8.235 -8.304 10.942 1.00 0.00 H ATOM 1203 H LYS B 122 -8.681 -11.434 17.394 1.00 0.00 H ATOM 1204 N LEU B 123 -8.471 -14.743 17.000 1.00 35.09 N ATOM 1205 CA LEU B 123 -8.519 -16.189 17.256 1.00 36.53 C ATOM 1206 C LEU B 123 -9.965 -16.681 17.266 1.00 38.41 C ATOM 1207 O LEU B 123 -10.234 -17.768 16.772 1.00 39.63 O ATOM 1208 CB LEU B 123 -7.821 -16.552 18.566 1.00 36.25 C ATOM 1209 CG LEU B 123 -6.310 -16.281 18.613 1.00 35.59 C ATOM 1210 CD1 LEU B 123 -5.779 -16.372 20.045 1.00 34.69 C ATOM 1211 CD2 LEU B 123 -5.561 -17.211 17.671 1.00 34.32 C ATOM 1212 H LEU B 123 -8.172 -14.099 17.759 1.00 0.00 H ATOM 1213 N SER B 124 -10.887 -15.888 17.821 1.00 39.77 N ATOM 1214 CA SER B 124 -12.321 -16.169 17.680 1.00 42.69 C ATOM 1215 C SER B 124 -12.794 -15.634 16.340 1.00 44.34 C ATOM 1216 O SER B 124 -13.747 -16.154 15.766 1.00 51.40 O ATOM 1217 CB SER B 124 -13.148 -15.568 18.827 1.00 41.85 C ATOM 1218 OG SER B 124 -13.477 -14.209 18.596 1.00 41.90 O ATOM 1219 HG SER B 124 -12.645 -13.680 18.506 1.00 0.00 H ATOM 1220 H SER B 124 -10.582 -15.055 18.364 1.00 0.00 H TER 1221 SER B 124 HETATM 1222 O HOH 1 10.785 -14.055 12.276 1.00 14.28 O HETATM 1223 O HOH 2 1.882 -15.365 13.425 1.00 23.92 O HETATM 1224 O HOH 3 22.494 -12.882 13.907 1.00 32.38 O HETATM 1225 O HOH 4 -13.005 -16.946 13.429 1.00 38.37 O HETATM 1226 O HOH 5 21.822 -4.600 2.977 1.00 40.36 O HETATM 1227 O HOH 6 34.491 -7.360 8.561 1.00 29.16 O HETATM 1228 O HOH 7 18.162 -19.523 16.576 1.00 45.82 O HETATM 1229 O HOH 8 24.720 -11.554 14.790 1.00 40.25 O HETATM 1230 O HOH 9 21.990 -11.168 28.692 1.00 31.87 O HETATM 1231 O HOH 10 25.582 0.519 20.844 1.00 36.13 O HETATM 1232 O HOH 11 19.229 -19.111 13.967 1.00 42.99 O HETATM 1233 O HOH 12 19.430 -16.244 11.676 1.00 28.63 O HETATM 1234 O HOH 13 7.090 0.180 13.235 1.00 24.41 O HETATM 1235 O HOH 14 -8.203 -11.363 9.917 1.00 41.11 O HETATM 1236 O HOH 15 26.914 -2.113 21.171 1.00 21.64 O HETATM 1237 O HOH 16 23.371 -1.969 8.367 1.00 27.93 O HETATM 1238 O HOH 17 1.221 -8.315 11.450 1.00 20.85 O HETATM 1239 O HOH 18 -8.568 -3.696 24.064 1.00 42.52 O HETATM 1240 O HOH 19 8.351 -7.422 8.663 1.00 30.36 O HETATM 1241 O HOH 20 -7.779 -3.259 17.127 1.00 21.79 O HETATM 1242 O HOH 21 32.351 1.677 9.936 1.00 30.54 O HETATM 1243 O HOH 22 15.362 -18.722 16.007 1.00 33.53 O HETATM 1244 O HOH 23 6.297 3.676 10.491 1.00 46.31 O HETATM 1245 O HOH 24 -5.529 7.159 24.085 1.00 47.15 O HETATM 1246 O HOH 25 33.908 -4.532 8.414 1.00 39.45 O HETATM 1247 O HOH 26 5.869 -11.514 15.487 1.00 25.98 O HETATM 1248 O HOH 27 0.559 -1.127 2.773 1.00 40.30 O HETATM 1249 O HOH 28 -1.478 -2.598 11.354 1.00 34.47 O HETATM 1250 O HOH 29 12.145 -13.224 14.592 1.00 19.46 O HETATM 1251 O HOH 30 28.267 -9.321 12.276 1.00 30.36 O HETATM 1252 O HOH 31 9.571 -21.080 19.600 1.00 34.47 O HETATM 1253 O HOH 32 23.687 -10.757 22.891 1.00 36.09 O HETATM 1254 O HOH 33 -0.777 6.095 14.878 1.00 30.35 O HETATM 1255 O HOH 34 14.430 -2.705 -2.297 1.00 38.52 O HETATM 1256 O HOH 35 29.607 -2.389 9.687 1.00 41.10 O HETATM 1257 O HOH 36 4.070 -9.744 25.431 1.00 17.85 O HETATM 1258 O HOH 37 6.293 -11.462 24.826 1.00 23.83 O HETATM 1259 O HOH 38 21.142 -14.144 28.356 1.00 28.72 O HETATM 1260 O HOH 39 7.962 -7.468 12.730 1.00 32.62 O HETATM 1261 O HOH 40 6.593 6.142 9.062 1.00 37.26 O HETATM 1262 O HOH 41 22.745 -13.098 21.688 1.00 42.06 O HETATM 1263 O HOH 42 2.252 -0.143 0.779 1.00 38.64 O HETATM 1264 O HOH 43 24.603 -10.438 27.603 1.00 39.63 O HETATM 1265 O HOH 44 -0.912 -2.842 4.644 1.00 44.11 O HETATM 1266 O HOH 45 23.810 -2.729 2.764 1.00 36.85 O HETATM 1267 O HOH 46 6.524 -10.476 12.474 1.00 24.34 O HETATM 1268 O HOH 47 -1.306 -5.117 2.811 1.00 33.55 O HETATM 1269 O HOH 48 22.329 -14.964 12.199 1.00 36.46 O HETATM 1270 O HOH 49 3.920 -11.544 11.094 1.00 32.54 O HETATM 1271 O HOH 50 14.187 4.752 24.294 1.00 47.43 O HETATM 1272 O HOH 51 18.581 4.125 32.386 1.00 26.06 O HETATM 1273 O HOH 52 13.527 2.473 10.228 1.00 49.84 O HETATM 1274 N ASP A 53 15.359 3.738 7.525 1.00 0.24 N HETATM 1275 CA ASP A 53 16.718 3.252 7.125 1.00 0.08 C HETATM 1276 C ASP A 53 17.708 3.288 8.294 1.00 0.23 C HETATM 1277 O ASP A 53 18.464 2.333 8.488 1.00 -0.39 O HETATM 1278 N ASP A 53 17.714 4.375 9.064 1.00 -0.26 N HETATM 1279 CA ASP A 53 18.488 4.394 10.310 1.00 0.16 C HETATM 1280 CB ASP A 53 18.801 5.797 10.838 1.00 0.12 C HETATM 1281 OG ASP A 53 17.620 6.591 10.917 1.00 -0.27 O HETATM 1282 P ASP A 53 17.375 7.956 10.078 1.00 0.20 P HETATM 1283 O1P ASP A 53 18.374 7.981 8.940 1.00 -0.55 O HETATM 1284 O2P ASP A 53 17.597 9.032 11.121 1.00 -0.55 O HETATM 1285 O3P ASP A 53 15.943 7.851 9.599 1.00 -0.55 O HETATM 1286 H9 ASP A 53 19.517 6.285 10.160 1.00 0.07 H HETATM 1287 H10 ASP A 53 19.245 5.713 11.841 1.00 0.07 H HETATM 1288 C ASP A 53 17.757 3.580 11.355 1.00 0.21 C HETATM 1289 O ASP A 53 16.533 3.417 11.311 1.00 -0.39 O HETATM 1290 N ASP A 53 18.526 3.037 12.287 1.00 -0.26 N HETATM 1291 CA ASP A 53 17.977 2.336 13.436 1.00 0.14 C HETATM 1292 C ASP A 53 17.659 3.373 14.507 1.00 0.21 C HETATM 1293 O ASP A 53 18.199 4.473 14.485 1.00 -0.39 O HETATM 1294 N ASP A 53 16.783 3.018 15.442 1.00 -0.26 N HETATM 1295 CA ASP A 53 16.597 3.797 16.661 1.00 0.13 C HETATM 1296 C ASP A 53 17.060 2.956 17.847 1.00 0.20 C HETATM 1297 O ASP A 53 16.672 1.808 17.990 1.00 -0.39 O HETATM 1298 N ASP A 53 17.868 3.541 18.718 1.00 -0.26 N HETATM 1299 CA ASP A 53 18.262 2.878 19.957 1.00 0.13 C HETATM 1300 C ASP A 53 17.116 3.013 20.954 1.00 0.20 C HETATM 1301 O ASP A 53 16.595 4.116 21.144 1.00 -0.39 O HETATM 1302 N ASP A 53 16.726 1.889 21.563 1.00 -0.26 N HETATM 1303 CA ASP A 53 15.705 1.861 22.605 1.00 0.13 C HETATM 1304 C ASP A 53 16.376 1.611 23.959 1.00 0.20 C HETATM 1305 O ASP A 53 16.501 0.469 24.378 1.00 -0.39 O HETATM 1306 N ASP A 53 16.810 2.683 24.627 1.00 -0.26 N HETATM 1307 CA ASP A 53 17.350 2.605 25.995 1.00 0.14 C HETATM 1308 C ASP A 53 16.257 2.872 27.036 1.00 0.20 C HETATM 1309 O ASP A 53 15.234 3.497 26.738 1.00 -0.39 O HETATM 1310 N ASP A 53 16.515 2.425 28.263 1.00 -0.27 N HETATM 1311 CA ASP A 53 15.629 2.641 29.401 1.00 0.09 C HETATM 1312 C ASP A 53 16.249 3.674 30.328 1.00 0.06 C HETATM 1313 O ASP A 53 15.744 3.926 31.424 1.00 -0.57 O HETATM 1314 OXT ASP A 53 17.271 4.283 30.005 1.00 -0.57 O HETATM 1315 CB ASP A 53 15.356 1.328 30.151 1.00 -0.02 C HETATM 1316 CG ASP A 53 16.479 0.490 30.804 1.00 -0.04 C HETATM 1317 CD1 ASP A 53 15.901 -0.361 31.937 1.00 -0.06 C HETATM 1318 H55 ASP A 53 16.705 -0.954 32.397 1.00 0.02 H HETATM 1319 H56 ASP A 53 15.132 -1.036 31.533 1.00 0.02 H HETATM 1320 H57 ASP A 53 15.450 0.296 32.696 1.00 0.02 H HETATM 1321 CD2 ASP A 53 17.247 -0.389 29.810 1.00 -0.06 C HETATM 1322 H58 ASP A 53 17.654 0.239 29.004 1.00 0.02 H HETATM 1323 H59 ASP A 53 16.566 -1.139 29.382 1.00 0.02 H HETATM 1324 H60 ASP A 53 18.072 -0.897 30.331 1.00 0.02 H HETATM 1325 H54 ASP A 53 17.201 1.194 31.242 1.00 0.03 H HETATM 1326 H52 ASP A 53 14.860 0.662 29.429 1.00 0.03 H HETATM 1327 H53 ASP A 53 14.654 1.580 30.960 1.00 0.03 H HETATM 1328 H51 ASP A 53 14.670 3.032 29.030 1.00 0.07 H HETATM 1329 H50 ASP A 53 17.361 1.914 28.412 1.00 0.19 H HETATM 1330 CB ASP A 53 18.484 3.624 26.204 1.00 0.04 C HETATM 1331 CG ASP A 53 19.701 3.364 25.314 1.00 0.04 C HETATM 1332 OD1 ASP A 53 19.987 2.187 24.977 1.00 -0.57 O HETATM 1333 OD2 ASP A 53 20.380 4.359 24.956 1.00 -0.57 O HETATM 1334 H48 ASP A 53 18.804 3.580 27.255 1.00 0.05 H HETATM 1335 H49 ASP A 53 18.096 4.629 25.981 1.00 0.05 H HETATM 1336 H47 ASP A 53 17.750 1.592 26.152 1.00 0.08 H HETATM 1337 H46 ASP A 53 16.767 3.576 24.180 1.00 0.19 H HETATM 1338 CB ASP A 53 14.669 0.763 22.330 1.00 -0.01 C HETATM 1339 CG ASP A 53 13.746 0.926 21.114 1.00 -0.04 C HETATM 1340 CD1 ASP A 53 12.782 -0.245 21.049 1.00 -0.06 C HETATM 1341 H40 ASP A 53 12.121 -0.128 20.178 1.00 0.02 H HETATM 1342 H41 ASP A 53 12.177 -0.273 21.967 1.00 0.02 H HETATM 1343 H42 ASP A 53 13.350 -1.183 20.955 1.00 0.02 H HETATM 1344 CD2 ASP A 53 12.987 2.255 21.095 1.00 -0.06 C HETATM 1345 H43 ASP A 53 13.704 3.088 21.143 1.00 0.02 H HETATM 1346 H44 ASP A 53 12.311 2.304 21.961 1.00 0.02 H HETATM 1347 H45 ASP A 53 12.401 2.329 20.167 1.00 0.02 H HETATM 1348 H39 ASP A 53 14.377 0.898 20.214 1.00 0.03 H HETATM 1349 H37 ASP A 53 14.027 0.690 23.220 1.00 0.03 H HETATM 1350 H38 ASP A 53 15.220 -0.180 22.197 1.00 0.03 H HETATM 1351 H36 ASP A 53 15.193 2.834 22.629 1.00 0.08 H HETATM 1352 H35 ASP A 53 17.154 1.027 21.292 1.00 0.19 H HETATM 1353 CB ASP A 53 19.550 3.488 20.552 1.00 -0.01 C HETATM 1354 CG1 ASP A 53 19.862 2.871 21.914 1.00 -0.06 C HETATM 1355 H29 ASP A 53 20.782 3.320 22.318 1.00 0.02 H HETATM 1356 H30 ASP A 53 20.002 1.786 21.802 1.00 0.02 H HETATM 1357 H31 ASP A 53 19.027 3.063 22.604 1.00 0.02 H HETATM 1358 CG2 ASP A 53 20.717 3.301 19.586 1.00 -0.06 C HETATM 1359 H32 ASP A 53 20.466 3.754 18.616 1.00 0.02 H HETATM 1360 H33 ASP A 53 20.912 2.227 19.450 1.00 0.02 H HETATM 1361 H34 ASP A 53 21.614 3.788 19.996 1.00 0.02 H HETATM 1362 H28 ASP A 53 19.389 4.567 20.693 1.00 0.03 H HETATM 1363 H27 ASP A 53 18.441 1.813 19.750 1.00 0.08 H HETATM 1364 H26 ASP A 53 18.216 4.458 18.522 1.00 0.19 H HETATM 1365 CB ASP A 53 15.127 4.201 16.827 1.00 -0.00 C HETATM 1366 CG ASP A 53 14.877 5.244 17.909 1.00 0.00 C HETATM 1367 CD ASP A 53 13.404 5.647 18.026 1.00 0.04 C HETATM 1368 OE1 ASP A 53 12.903 5.750 19.181 1.00 -0.57 O HETATM 1369 OE2 ASP A 53 12.742 5.844 16.970 1.00 -0.57 O HETATM 1370 H24 ASP A 53 15.468 6.141 17.673 1.00 0.04 H HETATM 1371 H25 ASP A 53 15.205 4.832 18.875 1.00 0.04 H HETATM 1372 H22 ASP A 53 14.549 3.300 17.079 1.00 0.03 H HETATM 1373 H23 ASP A 53 14.772 4.608 15.869 1.00 0.03 H HETATM 1374 H21 ASP A 53 17.209 4.709 16.604 1.00 0.08 H HETATM 1375 H20 ASP A 53 16.235 2.192 15.306 1.00 0.19 H HETATM 1376 CB ASP A 53 18.990 1.319 13.970 1.00 0.02 C HETATM 1377 CG ASP A 53 19.214 0.106 13.079 1.00 -0.05 C HETATM 1378 CD1 ASP A 53 20.043 0.177 11.974 1.00 -0.07 C HETATM 1379 CE1 ASP A 53 20.252 -0.927 11.158 1.00 -0.04 C HETATM 1380 CZ ASP A 53 19.625 -2.135 11.452 1.00 0.08 C HETATM 1381 CE2 ASP A 53 18.794 -2.228 12.552 1.00 -0.04 C HETATM 1382 CD2 ASP A 53 18.586 -1.108 13.348 1.00 -0.07 C HETATM 1383 H16 ASP A 53 17.919 -1.181 14.199 1.00 0.05 H HETATM 1384 H18 ASP A 53 18.308 -3.167 12.792 1.00 0.05 H HETATM 1385 OH ASP A 53 19.841 -3.229 10.637 1.00 -0.34 O HETATM 1386 H19 ASP A 53 20.434 -2.987 9.935 1.00 0.25 H HETATM 1387 H17 ASP A 53 20.902 -0.849 10.294 1.00 0.05 H HETATM 1388 H15 ASP A 53 20.539 1.112 11.741 1.00 0.05 H HETATM 1389 H13 ASP A 53 18.633 0.963 14.948 1.00 0.05 H HETATM 1390 H14 ASP A 53 19.955 1.832 14.096 1.00 0.05 H HETATM 1391 H12 ASP A 53 17.056 1.810 13.144 1.00 0.08 H HETATM 1392 H11 ASP A 53 19.519 3.112 12.197 1.00 0.19 H HETATM 1393 H8 ASP A 53 19.451 3.904 10.106 1.00 0.08 H HETATM 1394 H7 ASP A 53 17.189 5.181 8.792 1.00 0.19 H HETATM 1395 CB ASP A 53 17.270 4.043 5.931 1.00 0.06 C HETATM 1396 CG ASP A 53 18.634 3.532 5.462 1.00 0.04 C HETATM 1397 OD1 ASP A 53 18.884 2.297 5.464 1.00 -0.57 O HETATM 1398 OD2 ASP A 53 19.471 4.376 5.095 1.00 -0.57 O HETATM 1399 H5 ASP A 53 17.372 5.098 6.225 1.00 0.05 H HETATM 1400 H6 ASP A 53 16.558 3.962 5.096 1.00 0.05 H HETATM 1401 H4 ASP A 53 16.613 2.203 6.811 1.00 0.11 H HETATM 1402 H1 ASP A 53 14.741 3.698 6.730 1.00 0.20 H HETATM 1403 H2 ASP A 53 15.425 4.689 7.852 1.00 0.20 H HETATM 1404 H3 ASP A 53 14.997 3.154 8.262 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1274 1275 1402 1403 1404 CONECT 1275 1274 1276 1395 1401 CONECT 1276 1275 1277 1278 CONECT 1277 1276 CONECT 1278 1276 1279 1394 CONECT 1279 1278 1280 1288 1393 CONECT 1280 1279 1281 1286 1287 CONECT 1281 1280 1282 CONECT 1282 1281 1283 1284 1285 CONECT 1283 1282 CONECT 1284 1282 CONECT 1285 1282 CONECT 1286 1280 CONECT 1287 1280 CONECT 1288 1279 1289 1290 CONECT 1289 1288 CONECT 1290 1288 1291 1392 CONECT 1291 1290 1292 1376 1391 CONECT 1292 1291 1293 1294 CONECT 1293 1292 CONECT 1294 1292 1295 1375 CONECT 1295 1294 1296 1365 1374 CONECT 1296 1295 1297 1298 CONECT 1297 1296 CONECT 1298 1296 1299 1364 CONECT 1299 1298 1300 1353 1363 CONECT 1300 1299 1301 1302 CONECT 1301 1300 CONECT 1302 1300 1303 1352 CONECT 1303 1302 1304 1338 1351 CONECT 1304 1303 1305 1306 CONECT 1305 1304 CONECT 1306 1304 1307 1337 CONECT 1307 1306 1308 1330 1336 CONECT 1308 1307 1309 1310 CONECT 1309 1308 CONECT 1310 1308 1311 1329 CONECT 1311 1310 1312 1315 1328 CONECT 1312 1311 1313 1314 CONECT 1313 1312 CONECT 1314 1312 CONECT 1315 1311 1316 1326 1327 CONECT 1316 1315 1317 1321 1325 CONECT 1317 1316 1318 1319 1320 CONECT 1318 1317 CONECT 1319 1317 CONECT 1320 1317 CONECT 1321 1316 1322 1323 1324 CONECT 1322 1321 CONECT 1323 1321 CONECT 1324 1321 CONECT 1325 1316 CONECT 1326 1315 CONECT 1327 1315 CONECT 1328 1311 CONECT 1329 1310 CONECT 1330 1307 1331 1334 1335 CONECT 1331 1330 1332 1333 CONECT 1332 1331 CONECT 1333 1331 CONECT 1334 1330 CONECT 1335 1330 CONECT 1336 1307 CONECT 1337 1306 CONECT 1338 1303 1339 1349 1350 CONECT 1339 1338 1340 1344 1348 CONECT 1340 1339 1341 1342 1343 CONECT 1341 1340 CONECT 1342 1340 CONECT 1343 1340 CONECT 1344 1339 1345 1346 1347 CONECT 1345 1344 CONECT 1346 1344 CONECT 1347 1344 CONECT 1348 1339 CONECT 1349 1338 CONECT 1350 1338 CONECT 1351 1303 CONECT 1352 1302 CONECT 1353 1299 1354 1358 1362 CONECT 1354 1353 1355 1356 1357 CONECT 1355 1354 CONECT 1356 1354 CONECT 1357 1354 CONECT 1358 1353 1359 1360 1361 CONECT 1359 1358 CONECT 1360 1358 CONECT 1361 1358 CONECT 1362 1353 CONECT 1363 1299 CONECT 1364 1298 CONECT 1365 1295 1366 1372 1373 CONECT 1366 1365 1367 1370 1371 CONECT 1367 1366 1368 1369 CONECT 1368 1367 CONECT 1369 1367 CONECT 1370 1366 CONECT 1371 1366 CONECT 1372 1365 CONECT 1373 1365 CONECT 1374 1295 CONECT 1375 1294 CONECT 1376 1291 1377 1389 1390 CONECT 1377 1376 1378 1382 CONECT 1378 1377 1379 1388 CONECT 1379 1378 1380 1387 CONECT 1380 1379 1381 1385 CONECT 1381 1380 1382 1384 CONECT 1382 1377 1381 1383 CONECT 1383 1382 CONECT 1384 1381 CONECT 1385 1380 1386 CONECT 1386 1385 CONECT 1387 1379 CONECT 1388 1378 CONECT 1389 1376 CONECT 1390 1376 CONECT 1391 1291 CONECT 1392 1290 CONECT 1393 1279 CONECT 1394 1278 CONECT 1395 1275 1396 1399 1400 CONECT 1396 1395 1397 1398 CONECT 1397 1396 CONECT 1398 1396 CONECT 1399 1395 CONECT 1400 1395 CONECT 1401 1275 CONECT 1402 1274 CONECT 1403 1274 CONECT 1404 1274 MASTER 0 0 0 0 0 0 0 0 1403 1 135 10 END
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114aa, >5W9A_2|Chains... at 100%
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RCSB PDB
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RCSB PDB
PDBbind
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8-mer
2rt5
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PDBbind
8-mer
2w16
RCSB PDB
PDBbind
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2w3o
RCSB PDB
PDBbind
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2ynn
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3avb
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PDBbind
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3avg
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PDBbind
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3avi
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3i91
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3jvk
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3kze
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3qg6
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3rwh
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3rwj
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PDBbind
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RCSB PDB
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PDBbind
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PDBbind
8-mer
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PDBbind
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5xjm
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PDBbind
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RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
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6cdm
RCSB PDB
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8-mer
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PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
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PDBbind
8-mer
6fmp
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PDBbind
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6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
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8-mer
6dql
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PDBbind
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6do1
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Entry Information
PDB ID
5gmv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Microtubule-associated proteins 1A/1B light chain 3B
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
2.25(Å)
Affinity (Kd/Ki/IC50)
Kd=0.59uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Protein Cell Vol. 8: pp. 25-38
Ligand Properties
Formula
C
4
2
H
6
7
N
8
O
2
0
P
Molecular Weight
1035.000
Exact Mass
1034.420
No. of atoms
138
No. of bonds
138
Polar Surface Area
484.28
LOGP Value
0.72 (
Computed with XLOGP3
)
-1.01 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 35
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 1
Canonical SMILES
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])COP(O)(O)O)Cc1ccc(cc1)O)CCC(=O)O)C
InChI String
InChI=1S/C42H67N8O20P/c1-19(2)13-26(37(60)46-28(17-33(56)57)39(62)48-29(42(65)66)14-20(3)4)47-41(64)34(21(5)6)50-36(59)25(11-12-31(52)53)44-38(61)27(15-22-7-9-23(51)10-8-22)45-40(63)30(18-70-71(67,68)69)49-35(58)24(43)16-32(54)55/h7-10,19-21,24-30,34,51,67-69,71H,11-18,43H2,1-6H3,(H,44,61)(H,45,63)(H,46,60)(H,47,64)(H,48,62)(H,49,58)(H,50,59)(H,52,53)(H,54,55)(H,56,57)(H,65,66)/p+1/t24-,25-,26-,27-,28-,29-,30-,34-/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):
Q8IVP5
Q9GZQ8
Entrez Gene ID
NCBI Entrez Gene ID:
139341
81631
ASD
Information of known allosteric effects of PDB entries
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