Browse entries in the PDBbind-CN Database
HEADER 5O4Y_COMPLEX COMPND 5O4Y_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 E 118 ALA PHE THR VAL THR VAL PRO LYS ASP LEU TYR VAL VAL SEQRES 2 E 118 GLU TYR GLY SER ASN MET THR ILE GLU CYS LYS PHE PRO SEQRES 3 E 118 VAL GLU LYS GLN LEU ASP LEU ALA ALA LEU ILE VAL TYR SEQRES 4 E 118 TRP GLU MET GLU ASP LYS ASN ILE ILE GLN PHE VAL HIS SEQRES 5 E 118 GLY GLU GLU ASP LEU LYS VAL GLN HIS SER SER TYR ARG SEQRES 6 E 118 GLN ARG ALA ARG LEU LEU LYS ASP GLN LEU SER LEU GLY SEQRES 7 E 118 ASN ALA ALA LEU GLN ILE THR ASP VAL LYS LEU GLN ASP SEQRES 8 E 118 ALA GLY VAL TYR ARG CYS MET ILE SER TYR GLY GLY ALA SEQRES 9 E 118 ASP TYR LYS ARG ILE THR VAL LYS VAL ASN ALA ALA TYR SEQRES 10 E 118 ALA HET PHE A 157 260 SSBOND 1 CYS E 40 CYS E 114 ATOM 1 N ALA E 18 0.456 31.358 16.524 1.00 66.44 N ATOM 2 CA ALA E 18 0.966 31.697 17.842 1.00 60.17 C ATOM 3 C ALA E 18 0.478 30.714 18.903 1.00 64.14 C ATOM 4 O ALA E 18 1.286 30.151 19.642 1.00 68.07 O ATOM 5 CB ALA E 18 0.571 33.110 18.217 1.00 68.73 C ATOM 6 HN3 ALA E 18 -0.584 31.380 16.540 1.00 0.00 H ATOM 7 HN2 ALA E 18 0.780 30.405 16.263 1.00 0.00 H ATOM 8 HN1 ALA E 18 0.808 32.047 15.829 1.00 0.00 H ATOM 9 N PHE E 19 -0.835 30.501 18.994 1.00 65.85 N ATOM 10 CA PHE E 19 -1.365 29.666 20.069 1.00 58.64 C ATOM 11 C PHE E 19 -0.955 28.224 19.830 1.00 51.22 C ATOM 12 O PHE E 19 -1.278 27.633 18.796 1.00 49.83 O ATOM 13 CB PHE E 19 -2.884 29.782 20.178 1.00 53.31 C ATOM 14 CG PHE E 19 -3.478 28.915 21.267 1.00 51.21 C ATOM 15 CD1 PHE E 19 -3.470 29.331 22.586 1.00 44.32 C ATOM 16 CD2 PHE E 19 -4.039 27.677 20.968 1.00 50.09 C ATOM 17 CE1 PHE E 19 -4.016 28.535 23.587 1.00 49.53 C ATOM 18 CE2 PHE E 19 -4.585 26.887 21.953 1.00 44.39 C ATOM 19 CZ PHE E 19 -4.577 27.311 23.264 1.00 48.18 C ATOM 20 H PHE E 19 -1.481 30.929 18.300 1.00 0.00 H ATOM 21 N THR E 20 -0.242 27.658 20.787 1.00 50.73 N ATOM 22 CA THR E 20 0.352 26.345 20.614 1.00 53.30 C ATOM 23 C THR E 20 0.067 25.475 21.824 1.00 51.91 C ATOM 24 O THR E 20 0.351 25.869 22.960 1.00 51.28 O ATOM 25 CB THR E 20 1.855 26.480 20.404 1.00 55.59 C ATOM 26 OG1 THR E 20 2.114 26.906 19.059 1.00 54.11 O ATOM 27 CG2 THR E 20 2.552 25.178 20.673 1.00 47.52 C ATOM 28 HG1 THR E 20 1.678 27.781 18.902 1.00 0.00 H ATOM 29 H THR E 20 -0.103 28.165 21.685 1.00 0.00 H ATOM 30 N VAL E 21 -0.463 24.300 21.580 1.00 51.81 N ATOM 31 CA VAL E 21 -0.538 23.274 22.610 1.00 48.80 C ATOM 32 C VAL E 21 0.704 22.400 22.520 1.00 44.91 C ATOM 33 O VAL E 21 1.183 22.098 21.429 1.00 49.19 O ATOM 34 CB VAL E 21 -1.829 22.460 22.473 1.00 45.72 C ATOM 35 CG1 VAL E 21 -1.770 21.181 23.369 1.00 48.12 C ATOM 36 CG2 VAL E 21 -3.017 23.357 22.869 1.00 45.47 C ATOM 37 H VAL E 21 -0.837 24.097 20.631 1.00 0.00 H ATOM 38 N THR E 22 1.268 22.043 23.665 1.00 36.85 N ATOM 39 CA THR E 22 2.398 21.132 23.690 1.00 58.70 C ATOM 40 C THR E 22 2.077 19.916 24.543 1.00 54.77 C ATOM 41 O THR E 22 1.151 19.920 25.368 1.00 47.76 O ATOM 42 CB THR E 22 3.677 21.771 24.249 1.00 60.75 C ATOM 43 OG1 THR E 22 3.574 21.871 25.672 1.00 55.33 O ATOM 44 CG2 THR E 22 3.924 23.136 23.650 1.00 54.60 C ATOM 45 HG1 THR E 22 4.399 22.283 26.033 1.00 0.00 H ATOM 46 H THR E 22 0.895 22.421 24.559 1.00 0.00 H ATOM 47 N VAL E 23 2.900 18.889 24.350 1.00 51.98 N ATOM 48 CA VAL E 23 2.844 17.659 25.118 1.00 43.96 C ATOM 49 C VAL E 23 4.219 17.415 25.739 1.00 42.92 C ATOM 50 O VAL E 23 5.213 17.326 25.020 1.00 41.58 O ATOM 51 CB VAL E 23 2.413 16.465 24.255 1.00 43.19 C ATOM 52 CG1 VAL E 23 0.947 16.589 23.945 1.00 46.95 C ATOM 53 CG2 VAL E 23 3.208 16.399 22.978 1.00 41.92 C ATOM 54 H VAL E 23 3.624 18.972 23.608 1.00 0.00 H ATOM 55 N PRO E 24 4.333 17.335 27.060 1.00 47.84 N ATOM 56 CA PRO E 24 5.623 16.949 27.647 1.00 50.95 C ATOM 57 C PRO E 24 6.066 15.555 27.242 1.00 56.53 C ATOM 58 O PRO E 24 7.273 15.269 27.250 1.00 56.99 O ATOM 59 CB PRO E 24 5.365 17.038 29.161 1.00 43.74 C ATOM 60 CG PRO E 24 3.901 17.147 29.329 1.00 49.85 C ATOM 61 CD PRO E 24 3.368 17.760 28.083 1.00 55.70 C ATOM 62 N LYS E 25 5.114 14.695 26.890 1.00 50.98 N ATOM 63 CA LYS E 25 5.343 13.295 26.560 1.00 47.08 C ATOM 64 C LYS E 25 4.319 12.959 25.488 1.00 51.29 C ATOM 65 O LYS E 25 3.120 13.131 25.725 1.00 52.45 O ATOM 66 CB LYS E 25 5.122 12.397 27.789 1.00 51.19 C ATOM 67 CG LYS E 25 6.335 11.843 28.510 1.00 47.53 C ATOM 68 CD LYS E 25 5.890 11.130 29.793 1.00 52.40 C ATOM 69 CE LYS E 25 5.318 9.735 29.553 1.00 48.72 C ATOM 70 NZ LYS E 25 6.319 8.673 29.849 1.00 53.45 N ATOM 71 HZ1 LYS E 25 7.148 8.799 29.234 1.00 0.00 H ATOM 72 HZ2 LYS E 25 6.611 8.742 30.845 1.00 0.00 H ATOM 73 HZ3 LYS E 25 5.894 7.740 29.674 1.00 0.00 H ATOM 74 H LYS E 25 4.136 15.048 26.847 1.00 0.00 H ATOM 75 N ASP E 26 4.751 12.506 24.319 1.00 41.71 N ATOM 76 CA ASP E 26 3.791 12.056 23.320 1.00 45.44 C ATOM 77 C ASP E 26 3.610 10.529 23.305 1.00 55.55 C ATOM 78 O ASP E 26 2.809 10.016 22.509 1.00 54.24 O ATOM 79 CB ASP E 26 4.191 12.577 21.931 1.00 51.54 C ATOM 80 CG ASP E 26 5.531 12.070 21.473 1.00 70.47 C ATOM 81 OD1 ASP E 26 6.259 11.491 22.306 1.00 83.81 O ATOM 82 OD2 ASP E 26 5.859 12.252 20.276 1.00 78.29 O ATOM 83 H ASP E 26 5.770 12.472 24.116 1.00 0.00 H ATOM 84 N LEU E 27 4.284 9.791 24.189 1.00 44.75 N ATOM 85 CA LEU E 27 4.077 8.351 24.280 1.00 43.00 C ATOM 86 C LEU E 27 4.104 7.933 25.737 1.00 38.71 C ATOM 87 O LEU E 27 5.159 7.969 26.374 1.00 45.99 O ATOM 88 CB LEU E 27 5.133 7.588 23.484 1.00 51.92 C ATOM 89 CG LEU E 27 5.001 6.042 23.500 1.00 50.37 C ATOM 90 CD1 LEU E 27 3.566 5.572 23.481 1.00 47.91 C ATOM 91 CD2 LEU E 27 5.696 5.463 22.317 1.00 44.29 C ATOM 92 H LEU E 27 4.968 10.251 24.823 1.00 0.00 H ATOM 93 N TYR E 28 2.963 7.518 26.259 1.00 34.98 N ATOM 94 CA TYR E 28 2.896 6.990 27.611 1.00 47.07 C ATOM 95 C TYR E 28 2.886 5.462 27.555 1.00 43.94 C ATOM 96 O TYR E 28 2.016 4.867 26.911 1.00 41.68 O ATOM 97 CB TYR E 28 1.658 7.520 28.335 1.00 46.52 C ATOM 98 CG TYR E 28 1.700 8.992 28.670 1.00 46.42 C ATOM 99 CD1 TYR E 28 1.496 9.950 27.682 1.00 51.11 C ATOM 100 CD2 TYR E 28 1.915 9.431 29.971 1.00 52.05 C ATOM 101 CE1 TYR E 28 1.524 11.317 27.971 1.00 44.83 C ATOM 102 CE2 TYR E 28 1.943 10.812 30.279 1.00 45.04 C ATOM 103 CZ TYR E 28 1.744 11.746 29.262 1.00 47.79 C ATOM 104 OH TYR E 28 1.768 13.113 29.513 1.00 44.65 O ATOM 105 HH TYR E 28 1.607 13.605 28.669 1.00 0.00 H ATOM 106 H TYR E 28 2.094 7.570 25.690 1.00 0.00 H ATOM 107 N VAL E 29 3.853 4.832 28.218 1.00 49.68 N ATOM 108 CA VAL E 29 3.874 3.378 28.403 1.00 53.18 C ATOM 109 C VAL E 29 3.457 3.091 29.837 1.00 44.98 C ATOM 110 O VAL E 29 4.195 3.397 30.779 1.00 41.19 O ATOM 111 CB VAL E 29 5.251 2.771 28.092 1.00 52.13 C ATOM 112 CG1 VAL E 29 5.268 1.232 28.343 1.00 50.61 C ATOM 113 CG2 VAL E 29 5.621 3.045 26.659 1.00 43.34 C ATOM 114 H VAL E 29 4.628 5.396 28.622 1.00 0.00 H ATOM 115 N VAL E 30 2.275 2.503 30.000 1.00 42.38 N ATOM 116 CA VAL E 30 1.714 2.204 31.305 1.00 48.66 C ATOM 117 C VAL E 30 1.564 0.689 31.464 1.00 51.62 C ATOM 118 O VAL E 30 1.550 -0.073 30.495 1.00 43.76 O ATOM 119 CB VAL E 30 0.362 2.918 31.513 1.00 44.62 C ATOM 120 CG1 VAL E 30 0.504 4.410 31.273 1.00 55.82 C ATOM 121 CG2 VAL E 30 -0.655 2.405 30.559 1.00 54.00 C ATOM 122 H VAL E 30 1.728 2.246 29.154 1.00 0.00 H ATOM 123 N GLU E 31 1.473 0.259 32.720 1.00 50.26 N ATOM 124 CA GLU E 31 1.300 -1.142 33.049 1.00 42.41 C ATOM 125 C GLU E 31 -0.176 -1.410 33.249 1.00 42.14 C ATOM 126 O GLU E 31 -0.871 -0.634 33.911 1.00 42.18 O ATOM 127 CB GLU E 31 2.065 -1.521 34.322 1.00 40.42 C ATOM 128 CG GLU E 31 3.565 -1.430 34.204 1.00 46.09 C ATOM 129 CD GLU E 31 4.121 -2.222 33.007 1.00 55.95 C ATOM 130 OE1 GLU E 31 3.821 -3.441 32.893 1.00 35.72 O ATOM 131 OE2 GLU E 31 4.852 -1.608 32.181 1.00 58.29 O ATOM 132 H GLU E 31 1.528 0.953 33.493 1.00 0.00 H ATOM 133 N TYR E 32 -0.644 -2.520 32.681 1.00 39.41 N ATOM 134 CA TYR E 32 -2.029 -2.923 32.843 1.00 38.56 C ATOM 135 C TYR E 32 -2.440 -2.788 34.302 1.00 32.63 C ATOM 136 O TYR E 32 -1.665 -3.075 35.208 1.00 42.10 O ATOM 137 CB TYR E 32 -2.214 -4.373 32.339 1.00 36.82 C ATOM 138 CG TYR E 32 -3.618 -4.905 32.513 1.00 34.07 C ATOM 139 CD1 TYR E 32 -4.573 -4.712 31.551 1.00 31.87 C ATOM 140 CD2 TYR E 32 -3.978 -5.578 33.657 1.00 34.13 C ATOM 141 CE1 TYR E 32 -5.855 -5.166 31.720 1.00 32.63 C ATOM 142 CE2 TYR E 32 -5.248 -6.051 33.830 1.00 36.22 C ATOM 143 CZ TYR E 32 -6.189 -5.837 32.865 1.00 31.85 C ATOM 144 OH TYR E 32 -7.469 -6.304 33.056 1.00 38.52 O ATOM 145 HH TYR E 32 -8.025 -6.069 32.271 1.00 0.00 H ATOM 146 H TYR E 32 -0.005 -3.109 32.110 1.00 0.00 H ATOM 147 N GLY E 33 -3.651 -2.301 34.534 1.00 36.60 N ATOM 148 CA GLY E 33 -4.141 -2.124 35.888 1.00 42.97 C ATOM 149 C GLY E 33 -3.626 -0.900 36.642 1.00 35.10 C ATOM 150 O GLY E 33 -4.173 -0.579 37.699 1.00 39.14 O ATOM 151 H GLY E 33 -4.260 -2.041 33.732 1.00 0.00 H ATOM 152 N SER E 34 -2.601 -0.215 36.151 1.00 39.34 N ATOM 153 CA SER E 34 -2.061 0.959 36.833 1.00 41.74 C ATOM 154 C SER E 34 -2.783 2.240 36.400 1.00 35.12 C ATOM 155 O SER E 34 -3.812 2.222 35.722 1.00 38.71 O ATOM 156 CB SER E 34 -0.553 1.081 36.581 1.00 38.55 C ATOM 157 OG SER E 34 -0.275 1.598 35.291 1.00 47.15 O ATOM 158 HG SER E 34 -0.657 0.995 34.606 1.00 0.00 H ATOM 159 H SER E 34 -2.170 -0.522 35.256 1.00 0.00 H ATOM 160 N ASN E 35 -2.250 3.375 36.824 1.00 43.11 N ATOM 161 CA ASN E 35 -2.845 4.679 36.587 1.00 33.47 C ATOM 162 C ASN E 35 -2.041 5.469 35.565 1.00 34.61 C ATOM 163 O ASN E 35 -0.862 5.218 35.308 1.00 34.93 O ATOM 164 CB ASN E 35 -2.950 5.488 37.885 1.00 40.41 C ATOM 165 CG ASN E 35 -3.935 4.900 38.861 1.00 45.68 C ATOM 166 OD1 ASN E 35 -4.884 4.252 38.468 1.00 48.99 O ATOM 167 ND2 ASN E 35 -3.714 5.132 40.141 1.00 57.36 N ATOM 168 HD22 ASN E 35 -2.888 5.693 40.433 1.00 0.00 H ATOM 169 HD21 ASN E 35 -4.366 4.754 40.858 1.00 0.00 H ATOM 170 H ASN E 35 -1.357 3.331 37.355 1.00 0.00 H ATOM 171 N MET E 36 -2.708 6.463 35.002 1.00 40.24 N ATOM 172 CA MET E 36 -2.161 7.262 33.922 1.00 37.90 C ATOM 173 C MET E 36 -2.687 8.680 34.082 1.00 38.98 C ATOM 174 O MET E 36 -3.895 8.873 34.246 1.00 37.84 O ATOM 175 CB MET E 36 -2.599 6.636 32.599 1.00 44.41 C ATOM 176 CG MET E 36 -2.135 7.293 31.374 1.00 48.69 C ATOM 177 SD MET E 36 -2.620 6.325 29.918 1.00 41.21 S ATOM 178 CE MET E 36 -4.406 6.256 30.064 1.00 37.47 C ATOM 179 H MET E 36 -3.664 6.681 35.348 1.00 0.00 H ATOM 180 N THR E 37 -1.793 9.663 34.083 1.00 36.24 N ATOM 181 CA THR E 37 -2.186 11.053 33.875 1.00 40.78 C ATOM 182 C THR E 37 -1.490 11.578 32.625 1.00 40.33 C ATOM 183 O THR E 37 -0.257 11.621 32.572 1.00 38.23 O ATOM 184 CB THR E 37 -1.865 11.904 35.104 1.00 40.59 C ATOM 185 OG1 THR E 37 -2.716 11.496 36.191 1.00 45.42 O ATOM 186 CG2 THR E 37 -2.117 13.354 34.824 1.00 37.46 C ATOM 187 HG1 THR E 37 -2.513 12.043 36.991 1.00 0.00 H ATOM 188 H THR E 37 -0.790 9.436 34.236 1.00 0.00 H ATOM 189 N ILE E 38 -2.296 11.955 31.623 1.00 34.98 N ATOM 190 CA ILE E 38 -1.854 12.506 30.335 1.00 36.60 C ATOM 191 C ILE E 38 -2.099 14.019 30.305 1.00 33.03 C ATOM 192 O ILE E 38 -3.189 14.480 30.675 1.00 24.30 O ATOM 193 CB ILE E 38 -2.627 11.854 29.172 1.00 32.35 C ATOM 194 CG1 ILE E 38 -2.601 10.335 29.236 1.00 36.98 C ATOM 195 CG2 ILE E 38 -2.037 12.291 27.906 1.00 46.65 C ATOM 196 CD1 ILE E 38 -3.563 9.738 28.231 1.00 51.14 C ATOM 197 H ILE E 38 -3.320 11.849 31.769 1.00 0.00 H ATOM 198 N GLU E 39 -1.146 14.781 29.758 1.00 36.03 N ATOM 199 CA GLU E 39 -1.111 16.239 29.961 1.00 39.01 C ATOM 200 C GLU E 39 -0.881 17.018 28.672 1.00 29.90 C ATOM 201 O GLU E 39 0.158 16.868 28.037 1.00 40.51 O ATOM 202 CB GLU E 39 -0.007 16.601 30.951 1.00 37.23 C ATOM 203 CG GLU E 39 -0.209 16.068 32.344 1.00 38.91 C ATOM 204 CD GLU E 39 0.863 16.581 33.289 1.00 47.82 C ATOM 205 OE1 GLU E 39 0.533 16.960 34.443 1.00 40.20 O ATOM 206 OE2 GLU E 39 2.035 16.641 32.849 1.00 51.52 O ATOM 207 H GLU E 39 -0.411 14.333 29.175 1.00 0.00 H ATOM 208 N CYS E 40 -1.793 17.917 28.334 1.00 37.04 N ATOM 209 CA CYS E 40 -1.595 18.852 27.220 1.00 37.13 C ATOM 210 C CYS E 40 -1.472 20.241 27.808 1.00 39.75 C ATOM 211 O CYS E 40 -2.419 20.767 28.400 1.00 39.86 O ATOM 212 CB CYS E 40 -2.724 18.805 26.199 1.00 37.87 C ATOM 213 SG CYS E 40 -2.567 17.406 25.108 1.00 41.51 S ATOM 214 H CYS E 40 -2.679 17.962 28.876 1.00 0.00 H ATOM 215 N LYS E 41 -0.306 20.825 27.667 1.00 41.89 N ATOM 216 CA LYS E 41 -0.083 22.131 28.243 1.00 50.18 C ATOM 217 C LYS E 41 -0.507 23.217 27.261 1.00 47.42 C ATOM 218 O LYS E 41 -0.390 23.044 26.041 1.00 41.66 O ATOM 219 CB LYS E 41 1.379 22.267 28.620 1.00 48.50 C ATOM 220 CG LYS E 41 1.834 21.203 29.581 1.00 46.12 C ATOM 221 CD LYS E 41 3.165 21.597 30.153 1.00 57.92 C ATOM 222 CE LYS E 41 3.703 20.592 31.140 1.00 73.92 C ATOM 223 NZ LYS E 41 5.113 20.959 31.462 1.00 81.92 N ATOM 224 HZ1 LYS E 41 5.681 20.944 30.591 1.00 0.00 H ATOM 225 HZ2 LYS E 41 5.136 21.913 31.876 1.00 0.00 H ATOM 226 HZ3 LYS E 41 5.501 20.275 32.143 1.00 0.00 H ATOM 227 H LYS E 41 0.456 20.349 27.142 1.00 0.00 H ATOM 228 N PHE E 42 -1.051 24.315 27.797 1.00 43.18 N ATOM 229 CA PHE E 42 -1.456 25.440 26.961 1.00 46.84 C ATOM 230 C PHE E 42 -1.233 26.768 27.679 1.00 45.90 C ATOM 231 O PHE E 42 -1.315 26.848 28.911 1.00 43.03 O ATOM 232 CB PHE E 42 -2.927 25.351 26.535 1.00 41.60 C ATOM 233 CG PHE E 42 -3.892 25.501 27.664 1.00 43.76 C ATOM 234 CD1 PHE E 42 -4.170 24.431 28.494 1.00 39.12 C ATOM 235 CD2 PHE E 42 -4.542 26.715 27.882 1.00 42.90 C ATOM 236 CE1 PHE E 42 -5.078 24.557 29.529 1.00 41.79 C ATOM 237 CE2 PHE E 42 -5.452 26.860 28.915 1.00 44.27 C ATOM 238 CZ PHE E 42 -5.724 25.787 29.748 1.00 42.81 C ATOM 239 H PHE E 42 -1.188 24.368 28.827 1.00 0.00 H ATOM 240 N PRO E 43 -0.994 27.831 26.920 1.00 50.80 N ATOM 241 CA PRO E 43 -0.498 29.067 27.534 1.00 55.06 C ATOM 242 C PRO E 43 -1.587 29.786 28.318 1.00 50.16 C ATOM 243 O PRO E 43 -2.710 29.954 27.836 1.00 47.88 O ATOM 244 CB PRO E 43 -0.021 29.886 26.330 1.00 57.30 C ATOM 245 CG PRO E 43 -0.799 29.364 25.169 1.00 51.08 C ATOM 246 CD PRO E 43 -1.068 27.923 25.451 1.00 52.17 C ATOM 247 N VAL E 44 -1.254 30.188 29.546 1.00 45.14 N ATOM 248 CA VAL E 44 -2.106 31.077 30.335 1.00 50.80 C ATOM 249 C VAL E 44 -1.217 32.135 30.968 1.00 51.08 C ATOM 250 O VAL E 44 -0.392 31.820 31.832 1.00 49.78 O ATOM 251 CB VAL E 44 -2.914 30.340 31.418 1.00 52.06 C ATOM 252 CG1 VAL E 44 -3.677 31.335 32.318 1.00 49.05 C ATOM 253 CG2 VAL E 44 -3.883 29.351 30.772 1.00 51.26 C ATOM 254 H VAL E 44 -0.357 29.858 29.956 1.00 0.00 H ATOM 255 N GLU E 45 -1.414 33.393 30.557 1.00 68.10 N ATOM 256 CA GLU E 45 -0.577 34.508 30.992 1.00 61.67 C ATOM 257 C GLU E 45 -0.943 34.967 32.396 1.00 55.09 C ATOM 258 O GLU E 45 -0.107 34.944 33.304 1.00 58.03 O ATOM 259 CB GLU E 45 -0.707 35.656 29.999 1.00 47.12 C ATOM 260 CG GLU E 45 -0.188 35.320 28.614 1.00 45.53 C ATOM 261 H GLU E 45 -2.197 33.585 29.900 1.00 0.00 H ATOM 262 N LYS E 46 -2.189 35.365 32.605 1.00 52.89 N ATOM 263 CA LYS E 46 -2.559 35.871 33.915 1.00 59.99 C ATOM 264 C LYS E 46 -3.497 34.909 34.620 1.00 64.65 C ATOM 265 O LYS E 46 -3.127 33.773 34.944 1.00 62.07 O ATOM 266 H LYS E 46 -2.893 35.316 31.841 1.00 0.00 H ATOM 267 N GLN E 47 -4.706 35.375 34.894 1.00 59.55 N ATOM 268 CA GLN E 47 -5.734 34.512 35.447 1.00 63.72 C ATOM 269 C GLN E 47 -6.395 33.775 34.309 1.00 53.31 C ATOM 270 O GLN E 47 -6.633 34.352 33.243 1.00 55.70 O ATOM 271 CB GLN E 47 -6.789 35.312 36.218 1.00 82.93 C ATOM 272 CG GLN E 47 -6.387 35.654 37.649 1.00 88.03 C ATOM 273 CD GLN E 47 -7.571 36.049 38.524 1.00 84.24 C ATOM 274 OE1 GLN E 47 -8.742 35.882 38.137 1.00 53.83 O ATOM 275 NE2 GLN E 47 -7.273 36.581 39.712 1.00 89.95 N ATOM 276 HE22 GLN E 47 -6.279 36.702 39.993 1.00 0.00 H ATOM 277 HE21 GLN E 47 -8.035 36.875 40.356 1.00 0.00 H ATOM 278 H GLN E 47 -4.922 36.375 34.710 1.00 0.00 H ATOM 279 N LEU E 48 -6.682 32.501 34.543 1.00 51.97 N ATOM 280 CA LEU E 48 -7.408 31.693 33.575 1.00 45.72 C ATOM 281 C LEU E 48 -8.802 32.255 33.350 1.00 44.11 C ATOM 282 O LEU E 48 -9.606 32.338 34.283 1.00 45.26 O ATOM 283 CB LEU E 48 -7.504 30.264 34.081 1.00 39.29 C ATOM 284 CG LEU E 48 -8.155 29.275 33.109 1.00 42.90 C ATOM 285 CD1 LEU E 48 -7.312 29.105 31.870 1.00 45.46 C ATOM 286 CD2 LEU E 48 -8.360 27.940 33.788 1.00 39.54 C ATOM 287 H LEU E 48 -6.381 32.069 35.440 1.00 0.00 H ATOM 288 N ASP E 49 -9.096 32.643 32.115 1.00 42.81 N ATOM 289 CA ASP E 49 -10.435 33.138 31.788 1.00 48.22 C ATOM 290 C ASP E 49 -11.249 31.909 31.416 1.00 48.87 C ATOM 291 O ASP E 49 -11.254 31.435 30.276 1.00 42.45 O ATOM 292 CB ASP E 49 -10.416 34.191 30.678 1.00 46.43 C ATOM 293 CG ASP E 49 -11.781 34.845 30.470 1.00 47.57 C ATOM 294 OD1 ASP E 49 -12.700 34.548 31.268 1.00 39.55 O ATOM 295 OD2 ASP E 49 -11.947 35.638 29.509 1.00 48.20 O ATOM 296 H ASP E 49 -8.369 32.595 31.373 1.00 0.00 H ATOM 297 N LEU E 50 -11.919 31.371 32.420 1.00 42.77 N ATOM 298 CA LEU E 50 -12.725 30.190 32.228 1.00 42.47 C ATOM 299 C LEU E 50 -13.810 30.436 31.192 1.00 49.17 C ATOM 300 O LEU E 50 -14.271 29.499 30.538 1.00 51.02 O ATOM 301 CB LEU E 50 -13.294 29.805 33.587 1.00 49.04 C ATOM 302 CG LEU E 50 -13.898 28.447 33.824 1.00 48.37 C ATOM 303 CD1 LEU E 50 -12.994 27.339 33.275 1.00 55.51 C ATOM 304 CD2 LEU E 50 -14.083 28.350 35.316 1.00 49.09 C ATOM 305 H LEU E 50 -11.864 31.806 33.363 1.00 0.00 H ATOM 306 N ALA E 51 -14.205 31.696 31.009 1.00 51.34 N ATOM 307 CA ALA E 51 -15.219 32.047 30.022 1.00 49.56 C ATOM 308 C ALA E 51 -14.766 31.731 28.611 1.00 45.63 C ATOM 309 O ALA E 51 -15.604 31.662 27.701 1.00 40.52 O ATOM 310 CB ALA E 51 -15.551 33.546 30.130 1.00 49.20 C ATOM 311 H ALA E 51 -13.778 32.449 31.586 1.00 0.00 H ATOM 312 N ALA E 52 -13.456 31.577 28.409 1.00 37.51 N ATOM 313 CA ALA E 52 -12.875 31.343 27.100 1.00 38.33 C ATOM 314 C ALA E 52 -12.510 29.881 26.838 1.00 44.89 C ATOM 315 O ALA E 52 -12.350 29.496 25.671 1.00 39.23 O ATOM 316 CB ALA E 52 -11.627 32.218 26.956 1.00 40.52 C ATOM 317 H ALA E 52 -12.820 31.627 29.230 1.00 0.00 H ATOM 318 N LEU E 53 -12.424 29.063 27.885 1.00 43.58 N ATOM 319 CA LEU E 53 -11.746 27.770 27.839 1.00 48.35 C ATOM 320 C LEU E 53 -12.710 26.626 27.515 1.00 35.07 C ATOM 321 O LEU E 53 -13.716 26.423 28.207 1.00 29.53 O ATOM 322 CB LEU E 53 -11.042 27.512 29.171 1.00 39.99 C ATOM 323 CG LEU E 53 -10.296 26.196 29.293 1.00 43.96 C ATOM 324 CD1 LEU E 53 -9.188 26.099 28.279 1.00 39.76 C ATOM 325 CD2 LEU E 53 -9.757 26.069 30.712 1.00 45.86 C ATOM 326 H LEU E 53 -12.862 29.360 28.781 1.00 0.00 H ATOM 327 N ILE E 54 -12.391 25.892 26.449 1.00 37.21 N ATOM 328 CA ILE E 54 -13.034 24.631 26.081 1.00 32.80 C ATOM 329 C ILE E 54 -11.943 23.571 25.991 1.00 32.93 C ATOM 330 O ILE E 54 -10.910 23.807 25.350 1.00 24.51 O ATOM 331 CB ILE E 54 -13.785 24.730 24.742 1.00 30.25 C ATOM 332 CG1 ILE E 54 -14.846 25.820 24.805 1.00 36.11 C ATOM 333 CG2 ILE E 54 -14.461 23.463 24.433 1.00 31.74 C ATOM 334 CD1 ILE E 54 -15.519 26.122 23.483 1.00 36.89 C ATOM 335 H ILE E 54 -11.629 26.242 25.834 1.00 0.00 H ATOM 336 N VAL E 55 -12.175 22.402 26.613 1.00 28.65 N ATOM 337 CA VAL E 55 -11.174 21.335 26.659 1.00 31.86 C ATOM 338 C VAL E 55 -11.789 20.024 26.201 1.00 28.19 C ATOM 339 O VAL E 55 -12.797 19.579 26.755 1.00 25.12 O ATOM 340 CB VAL E 55 -10.579 21.148 28.063 1.00 30.82 C ATOM 341 CG1 VAL E 55 -9.538 20.120 28.006 1.00 34.51 C ATOM 342 CG2 VAL E 55 -9.924 22.369 28.555 1.00 36.32 C ATOM 343 H VAL E 55 -13.094 22.251 27.076 1.00 0.00 H ATOM 344 N TYR E 56 -11.147 19.382 25.235 1.00 29.43 N ATOM 345 CA TYR E 56 -11.680 18.186 24.591 1.00 37.37 C ATOM 346 C TYR E 56 -10.635 17.099 24.619 1.00 36.22 C ATOM 347 O TYR E 56 -9.535 17.293 24.084 1.00 32.42 O ATOM 348 CB TYR E 56 -12.053 18.431 23.147 1.00 39.78 C ATOM 349 CG TYR E 56 -12.711 17.266 22.438 1.00 34.75 C ATOM 350 CD1 TYR E 56 -13.691 16.510 23.053 1.00 40.94 C ATOM 351 CD2 TYR E 56 -12.406 16.982 21.116 1.00 37.85 C ATOM 352 CE1 TYR E 56 -14.349 15.474 22.362 1.00 39.18 C ATOM 353 CE2 TYR E 56 -13.053 15.985 20.425 1.00 39.25 C ATOM 354 CZ TYR E 56 -14.027 15.232 21.046 1.00 42.78 C ATOM 355 OH TYR E 56 -14.659 14.221 20.345 1.00 47.95 O ATOM 356 HH TYR E 56 -15.326 13.782 20.931 1.00 0.00 H ATOM 357 H TYR E 56 -10.224 19.746 24.923 1.00 0.00 H ATOM 358 N TRP E 57 -11.000 15.960 25.212 1.00 31.25 N ATOM 359 CA TRP E 57 -10.199 14.752 25.180 1.00 34.79 C ATOM 360 C TRP E 57 -10.970 13.678 24.430 1.00 35.29 C ATOM 361 O TRP E 57 -12.102 13.343 24.789 1.00 30.14 O ATOM 362 CB TRP E 57 -9.883 14.279 26.579 1.00 37.82 C ATOM 363 CG TRP E 57 -8.803 15.018 27.265 1.00 31.75 C ATOM 364 CD1 TRP E 57 -8.951 15.968 28.241 1.00 29.35 C ATOM 365 CD2 TRP E 57 -7.399 14.843 27.082 1.00 28.42 C ATOM 366 NE1 TRP E 57 -7.722 16.384 28.674 1.00 26.69 N ATOM 367 CE2 TRP E 57 -6.752 15.718 27.968 1.00 25.26 C ATOM 368 CE3 TRP E 57 -6.629 14.037 26.260 1.00 26.78 C ATOM 369 CZ2 TRP E 57 -5.376 15.796 28.061 1.00 29.47 C ATOM 370 CZ3 TRP E 57 -5.251 14.129 26.346 1.00 29.03 C ATOM 371 CH2 TRP E 57 -4.643 14.996 27.248 1.00 29.98 C ATOM 372 HE1 TRP E 57 -7.551 17.090 29.418 1.00 0.00 H ATOM 373 H TRP E 57 -11.905 15.938 25.723 1.00 0.00 H ATOM 374 N GLU E 58 -10.361 13.154 23.391 1.00 35.21 N ATOM 375 CA GLU E 58 -11.022 12.229 22.494 1.00 40.15 C ATOM 376 C GLU E 58 -10.105 11.024 22.342 1.00 40.72 C ATOM 377 O GLU E 58 -8.877 11.179 22.330 1.00 42.76 O ATOM 378 CB GLU E 58 -11.313 12.916 21.150 1.00 32.93 C ATOM 379 CG GLU E 58 -11.972 12.089 20.094 1.00 39.56 C ATOM 380 CD GLU E 58 -10.970 11.338 19.216 1.00 46.16 C ATOM 381 OE1 GLU E 58 -9.735 11.488 19.386 1.00 38.96 O ATOM 382 OE2 GLU E 58 -11.419 10.605 18.320 1.00 45.90 O ATOM 383 H GLU E 58 -9.371 13.412 23.206 1.00 0.00 H ATOM 384 N MET E 59 -10.694 9.829 22.269 1.00 35.93 N ATOM 385 CA MET E 59 -9.918 8.587 22.110 1.00 49.10 C ATOM 386 C MET E 59 -10.590 7.734 21.039 1.00 39.45 C ATOM 387 O MET E 59 -11.632 7.115 21.294 1.00 35.57 O ATOM 388 CB MET E 59 -9.805 7.825 23.430 1.00 51.18 C ATOM 389 CG MET E 59 -8.684 6.783 23.502 1.00 45.63 C ATOM 390 SD MET E 59 -9.039 5.224 22.691 1.00 36.43 S ATOM 391 CE MET E 59 -7.433 4.460 22.830 1.00 41.36 C ATOM 392 H MET E 59 -11.731 9.773 22.326 1.00 0.00 H ATOM 393 N GLU E 60 -10.000 7.730 19.850 1.00 38.35 N ATOM 394 CA GLU E 60 -10.452 6.892 18.737 1.00 44.22 C ATOM 395 C GLU E 60 -11.966 6.796 18.673 1.00 43.22 C ATOM 396 O GLU E 60 -12.530 5.710 18.707 1.00 42.55 O ATOM 397 CB GLU E 60 -9.867 5.507 18.854 1.00 34.53 C ATOM 398 CG GLU E 60 -8.377 5.513 19.039 1.00 43.03 C ATOM 399 CD GLU E 60 -7.852 4.118 19.202 1.00 38.42 C ATOM 400 OE1 GLU E 60 -8.689 3.163 19.228 1.00 40.07 O ATOM 401 OE2 GLU E 60 -6.612 3.972 19.283 1.00 41.01 O ATOM 402 H GLU E 60 -9.179 8.351 19.702 1.00 0.00 H ATOM 403 N ASP E 61 -12.610 7.965 18.604 1.00 40.72 N ATOM 404 CA ASP E 61 -14.049 8.180 18.418 1.00 38.22 C ATOM 405 C ASP E 61 -14.850 7.990 19.699 1.00 35.53 C ATOM 406 O ASP E 61 -16.089 8.039 19.670 1.00 36.62 O ATOM 407 CB ASP E 61 -14.629 7.294 17.318 1.00 41.36 C ATOM 408 CG ASP E 61 -14.452 7.897 15.925 1.00 58.44 C ATOM 409 OD1 ASP E 61 -14.731 9.117 15.754 1.00 61.88 O ATOM 410 OD2 ASP E 61 -14.039 7.151 15.006 1.00 60.23 O ATOM 411 H ASP E 61 -12.024 8.820 18.692 1.00 0.00 H ATOM 412 N LYS E 62 -14.201 7.797 20.832 1.00 38.70 N ATOM 413 CA LYS E 62 -14.871 7.839 22.125 1.00 39.54 C ATOM 414 C LYS E 62 -14.626 9.204 22.771 1.00 36.94 C ATOM 415 O LYS E 62 -13.499 9.703 22.760 1.00 34.18 O ATOM 416 CB LYS E 62 -14.339 6.712 23.022 1.00 34.78 C ATOM 417 CG LYS E 62 -14.643 5.277 22.498 1.00 44.21 C ATOM 418 CD LYS E 62 -13.938 4.138 23.299 1.00 49.15 C ATOM 419 CE LYS E 62 -12.539 3.771 22.711 1.00 54.20 C ATOM 420 NZ LYS E 62 -11.751 2.744 23.493 1.00 52.31 N ATOM 421 HZ1 LYS E 62 -11.581 3.099 24.456 1.00 0.00 H ATOM 422 HZ2 LYS E 62 -12.291 1.857 23.540 1.00 0.00 H ATOM 423 HZ3 LYS E 62 -10.841 2.573 23.019 1.00 0.00 H ATOM 424 H LYS E 62 -13.179 7.609 20.801 1.00 0.00 H ATOM 425 N ASN E 63 -15.666 9.792 23.357 1.00 34.91 N ATOM 426 CA ASN E 63 -15.544 11.109 23.985 1.00 37.35 C ATOM 427 C ASN E 63 -15.258 10.930 25.466 1.00 31.65 C ATOM 428 O ASN E 63 -16.106 10.448 26.215 1.00 36.00 O ATOM 429 CB ASN E 63 -16.810 11.943 23.791 1.00 31.88 C ATOM 430 CG ASN E 63 -17.095 12.236 22.336 1.00 43.05 C ATOM 431 OD1 ASN E 63 -16.181 12.505 21.555 1.00 38.89 O ATOM 432 ND2 ASN E 63 -18.365 12.158 21.957 1.00 42.09 N ATOM 433 HD22 ASN E 63 -19.102 11.928 22.653 1.00 0.00 H ATOM 434 HD21 ASN E 63 -18.623 12.327 20.964 1.00 0.00 H ATOM 435 H ASN E 63 -16.585 9.306 23.369 1.00 0.00 H ATOM 436 N ILE E 64 -14.087 11.368 25.894 1.00 34.90 N ATOM 437 CA ILE E 64 -13.695 11.277 27.291 1.00 35.78 C ATOM 438 C ILE E 64 -14.156 12.527 28.036 1.00 46.68 C ATOM 439 O ILE E 64 -14.955 12.422 28.975 1.00 45.15 O ATOM 440 CB ILE E 64 -12.175 11.066 27.418 1.00 46.18 C ATOM 441 CG1 ILE E 64 -11.710 9.931 26.494 1.00 39.24 C ATOM 442 CG2 ILE E 64 -11.780 10.763 28.880 1.00 33.40 C ATOM 443 CD1 ILE E 64 -10.194 9.737 26.501 1.00 37.08 C ATOM 444 H ILE E 64 -13.426 11.790 25.211 1.00 0.00 H ATOM 445 N ILE E 65 -13.685 13.719 27.617 1.00 41.83 N ATOM 446 CA ILE E 65 -13.965 14.983 28.307 1.00 36.14 C ATOM 447 C ILE E 65 -14.475 16.029 27.316 1.00 35.39 C ATOM 448 O ILE E 65 -13.789 16.367 26.346 1.00 30.24 O ATOM 449 CB ILE E 65 -12.727 15.559 29.017 1.00 34.30 C ATOM 450 CG1 ILE E 65 -12.169 14.603 30.052 1.00 28.62 C ATOM 451 CG2 ILE E 65 -13.084 16.928 29.630 1.00 36.89 C ATOM 452 CD1 ILE E 65 -13.051 14.389 31.238 1.00 36.64 C ATOM 453 H ILE E 65 -13.094 13.744 26.762 1.00 0.00 H ATOM 454 N GLN E 66 -15.630 16.602 27.616 1.00 35.37 N ATOM 455 CA GLN E 66 -16.174 17.734 26.869 1.00 41.24 C ATOM 456 C GLN E 66 -16.405 18.846 27.888 1.00 39.93 C ATOM 457 O GLN E 66 -17.470 18.961 28.502 1.00 39.19 O ATOM 458 CB GLN E 66 -17.391 17.350 26.135 1.00 39.81 C ATOM 459 CG GLN E 66 -17.003 16.360 25.071 1.00 37.09 C ATOM 460 CD GLN E 66 -18.125 15.923 24.163 1.00 41.59 C ATOM 461 OE1 GLN E 66 -17.953 14.949 23.455 1.00 37.31 O ATOM 462 NE2 GLN E 66 -19.262 16.641 24.156 1.00 40.87 N ATOM 463 HE22 GLN E 66 -19.360 17.466 24.781 1.00 0.00 H ATOM 464 HE21 GLN E 66 -20.044 16.371 23.525 1.00 0.00 H ATOM 465 H GLN E 66 -16.175 16.230 28.420 1.00 0.00 H ATOM 466 N PHE E 67 -15.346 19.609 28.106 1.00 23.92 N ATOM 467 CA PHE E 67 -15.291 20.640 29.123 1.00 37.93 C ATOM 468 C PHE E 67 -15.533 21.979 28.451 1.00 36.95 C ATOM 469 O PHE E 67 -14.807 22.348 27.522 1.00 35.83 O ATOM 470 CB PHE E 67 -13.923 20.617 29.787 1.00 37.71 C ATOM 471 CG PHE E 67 -13.681 21.744 30.751 1.00 40.11 C ATOM 472 CD1 PHE E 67 -13.340 23.017 30.292 1.00 43.56 C ATOM 473 CD2 PHE E 67 -13.753 21.519 32.113 1.00 41.54 C ATOM 474 CE1 PHE E 67 -13.084 24.054 31.185 1.00 47.43 C ATOM 475 CE2 PHE E 67 -13.504 22.539 33.015 1.00 48.46 C ATOM 476 CZ PHE E 67 -13.166 23.809 32.554 1.00 53.05 C ATOM 477 H PHE E 67 -14.505 19.460 27.513 1.00 0.00 H ATOM 478 N VAL E 68 -16.521 22.713 28.929 1.00 40.02 N ATOM 479 CA VAL E 68 -16.913 23.983 28.318 1.00 40.14 C ATOM 480 C VAL E 68 -17.100 25.004 29.422 1.00 41.40 C ATOM 481 O VAL E 68 -18.054 24.913 30.207 1.00 40.41 O ATOM 482 CB VAL E 68 -18.183 23.851 27.479 1.00 37.82 C ATOM 483 CG1 VAL E 68 -18.510 25.188 26.814 1.00 40.50 C ATOM 484 CG2 VAL E 68 -17.973 22.734 26.474 1.00 46.22 C ATOM 485 H VAL E 68 -17.037 22.377 29.767 1.00 0.00 H ATOM 486 N HIS E 69 -16.179 25.960 29.496 1.00 38.61 N ATOM 487 CA HIS E 69 -16.338 27.102 30.371 1.00 38.01 C ATOM 488 C HIS E 69 -16.637 26.650 31.783 1.00 41.83 C ATOM 489 O HIS E 69 -17.445 27.247 32.490 1.00 36.53 O ATOM 490 CB HIS E 69 -17.434 28.034 29.855 1.00 42.21 C ATOM 491 CG HIS E 69 -17.297 28.381 28.406 1.00 34.51 C ATOM 492 ND1 HIS E 69 -18.387 28.568 27.575 1.00 25.82 N ATOM 493 CD2 HIS E 69 -16.199 28.558 27.637 1.00 30.90 C ATOM 494 CE1 HIS E 69 -17.960 28.849 26.357 1.00 29.97 C ATOM 495 NE2 HIS E 69 -16.637 28.840 26.367 1.00 31.26 N ATOM 496 H HIS E 69 -15.323 25.885 28.910 1.00 0.00 H ATOM 497 N GLY E 70 -15.987 25.561 32.187 1.00 50.93 N ATOM 498 CA GLY E 70 -16.133 25.030 33.522 1.00 45.16 C ATOM 499 C GLY E 70 -17.191 23.966 33.696 1.00 49.74 C ATOM 500 O GLY E 70 -17.310 23.427 34.797 1.00 59.96 O ATOM 501 H GLY E 70 -15.353 25.077 31.520 1.00 0.00 H ATOM 502 N GLU E 71 -17.968 23.651 32.666 1.00 43.23 N ATOM 503 CA GLU E 71 -19.072 22.708 32.793 1.00 43.87 C ATOM 504 C GLU E 71 -18.713 21.391 32.124 1.00 46.39 C ATOM 505 O GLU E 71 -18.119 21.385 31.041 1.00 46.92 O ATOM 506 CB GLU E 71 -20.365 23.257 32.166 1.00 35.44 C ATOM 507 H GLU E 71 -17.783 24.090 31.742 1.00 0.00 H ATOM 508 N GLU E 72 -19.080 20.276 32.759 1.00 39.85 N ATOM 509 CA GLU E 72 -19.059 18.975 32.083 1.00 48.31 C ATOM 510 C GLU E 72 -20.387 18.270 32.276 1.00 34.95 C ATOM 511 O GLU E 72 -20.990 18.342 33.346 1.00 41.45 O ATOM 512 CB GLU E 72 -17.928 18.054 32.585 1.00 38.43 C ATOM 513 CG GLU E 72 -16.540 18.532 32.159 1.00 40.37 C ATOM 514 CD GLU E 72 -15.407 17.903 32.922 1.00 42.77 C ATOM 515 OE1 GLU E 72 -14.815 16.920 32.446 1.00 51.21 O ATOM 516 OE2 GLU E 72 -15.089 18.403 34.009 1.00 45.52 O ATOM 517 H GLU E 72 -19.386 20.331 33.751 1.00 0.00 H ATOM 518 N ASP E 73 -20.841 17.612 31.233 1.00 32.43 N ATOM 519 CA ASP E 73 -22.014 16.755 31.299 1.00 40.52 C ATOM 520 C ASP E 73 -21.585 15.299 31.117 1.00 48.39 C ATOM 521 O ASP E 73 -21.392 14.833 29.986 1.00 44.73 O ATOM 522 CB ASP E 73 -23.013 17.141 30.228 1.00 50.42 C ATOM 523 CG ASP E 73 -24.262 16.308 30.286 1.00 57.87 C ATOM 524 OD1 ASP E 73 -24.381 15.507 31.237 1.00 68.33 O ATOM 525 OD2 ASP E 73 -25.126 16.454 29.387 1.00 58.97 O ATOM 526 H ASP E 73 -20.342 17.708 30.325 1.00 0.00 H ATOM 527 N LEU E 74 -21.482 14.568 32.226 1.00 42.66 N ATOM 528 CA LEU E 74 -21.030 13.185 32.134 1.00 51.03 C ATOM 529 C LEU E 74 -21.960 12.333 31.289 1.00 52.84 C ATOM 530 O LEU E 74 -21.540 11.267 30.820 1.00 50.29 O ATOM 531 CB LEU E 74 -20.873 12.568 33.526 1.00 44.53 C ATOM 532 CG LEU E 74 -19.780 13.241 34.371 1.00 59.79 C ATOM 533 CD1 LEU E 74 -19.716 12.670 35.752 1.00 66.60 C ATOM 534 CD2 LEU E 74 -18.395 13.146 33.738 1.00 56.95 C ATOM 535 H LEU E 74 -21.722 14.981 33.150 1.00 0.00 H ATOM 536 N LYS E 75 -23.203 12.783 31.065 1.00 55.19 N ATOM 537 CA LYS E 75 -24.134 12.009 30.255 1.00 49.32 C ATOM 538 C LYS E 75 -23.558 11.705 28.878 1.00 50.93 C ATOM 539 O LYS E 75 -23.965 10.725 28.244 1.00 55.50 O ATOM 540 CB LYS E 75 -25.469 12.745 30.148 1.00 41.66 C ATOM 541 H LYS E 75 -23.505 13.691 31.472 1.00 0.00 H ATOM 542 N VAL E 76 -22.573 12.488 28.435 1.00 50.15 N ATOM 543 CA VAL E 76 -21.962 12.335 27.117 1.00 54.67 C ATOM 544 C VAL E 76 -20.618 11.606 27.174 1.00 56.13 C ATOM 545 O VAL E 76 -20.077 11.239 26.115 1.00 45.72 O ATOM 546 CB VAL E 76 -21.815 13.726 26.447 1.00 52.91 C ATOM 547 CG1 VAL E 76 -21.113 13.658 25.107 1.00 61.46 C ATOM 548 CG2 VAL E 76 -23.196 14.342 26.262 1.00 45.45 C ATOM 549 H VAL E 76 -22.223 13.244 29.058 1.00 0.00 H ATOM 550 N GLN E 77 -20.084 11.354 28.368 1.00 53.42 N ATOM 551 CA GLN E 77 -18.821 10.644 28.500 1.00 51.71 C ATOM 552 C GLN E 77 -18.990 9.175 28.114 1.00 51.90 C ATOM 553 O GLN E 77 -19.882 8.486 28.620 1.00 54.93 O ATOM 554 CB GLN E 77 -18.321 10.761 29.932 1.00 44.08 C ATOM 555 CG GLN E 77 -17.008 10.064 30.170 1.00 48.14 C ATOM 556 CD GLN E 77 -16.487 10.325 31.559 1.00 51.79 C ATOM 557 OE1 GLN E 77 -17.159 10.017 32.542 1.00 61.34 O ATOM 558 NE2 GLN E 77 -15.292 10.911 31.657 1.00 40.46 N ATOM 559 HE22 GLN E 77 -14.760 11.153 30.797 1.00 0.00 H ATOM 560 HE21 GLN E 77 -14.893 11.125 32.593 1.00 0.00 H ATOM 561 H GLN E 77 -20.581 11.672 29.225 1.00 0.00 H ATOM 562 N HIS E 78 -18.136 8.696 27.214 1.00 40.25 N ATOM 563 CA HIS E 78 -18.242 7.315 26.778 1.00 45.28 C ATOM 564 C HIS E 78 -18.351 6.395 27.986 1.00 50.82 C ATOM 565 O HIS E 78 -17.706 6.607 29.016 1.00 49.19 O ATOM 566 CB HIS E 78 -17.045 6.909 25.918 1.00 44.65 C ATOM 567 CG HIS E 78 -17.254 5.612 25.198 1.00 53.34 C ATOM 568 ND1 HIS E 78 -16.852 4.402 25.716 1.00 50.20 N ATOM 569 CD2 HIS E 78 -17.853 5.335 24.015 1.00 52.20 C ATOM 570 CE1 HIS E 78 -17.170 3.439 24.872 1.00 52.50 C ATOM 571 NE2 HIS E 78 -17.783 3.979 23.836 1.00 46.58 N ATOM 572 H HIS E 78 -17.393 9.310 26.823 1.00 0.00 H ATOM 573 N SER E 79 -19.191 5.370 27.854 1.00 56.84 N ATOM 574 CA SER E 79 -19.512 4.534 29.002 1.00 57.16 C ATOM 575 C SER E 79 -18.263 3.829 29.535 1.00 59.91 C ATOM 576 O SER E 79 -18.061 3.748 30.754 1.00 61.82 O ATOM 577 CB SER E 79 -20.619 3.543 28.616 1.00 56.70 C ATOM 578 OG SER E 79 -20.448 2.992 27.315 1.00 46.73 O ATOM 579 HG SER E 79 -20.452 3.722 26.646 1.00 0.00 H ATOM 580 H SER E 79 -19.619 5.166 26.928 1.00 0.00 H ATOM 581 N SER E 80 -17.377 3.375 28.637 1.00 55.94 N ATOM 582 CA SER E 80 -16.177 2.655 29.050 1.00 52.71 C ATOM 583 C SER E 80 -15.193 3.523 29.819 1.00 52.28 C ATOM 584 O SER E 80 -14.224 2.997 30.375 1.00 51.82 O ATOM 585 CB SER E 80 -15.472 2.064 27.832 1.00 57.72 C ATOM 586 OG SER E 80 -14.881 3.083 27.063 1.00 60.36 O ATOM 587 HG SER E 80 -15.581 3.712 26.756 1.00 0.00 H ATOM 588 H SER E 80 -17.549 3.540 27.625 1.00 0.00 H ATOM 589 N TYR E 81 -15.385 4.832 29.849 1.00 53.99 N ATOM 590 CA TYR E 81 -14.578 5.683 30.711 1.00 52.48 C ATOM 591 C TYR E 81 -15.348 6.147 31.936 1.00 49.48 C ATOM 592 O TYR E 81 -14.801 6.896 32.733 1.00 47.96 O ATOM 593 CB TYR E 81 -14.040 6.888 29.918 1.00 41.19 C ATOM 594 CG TYR E 81 -12.985 6.508 28.897 1.00 38.26 C ATOM 595 CD1 TYR E 81 -11.723 6.128 29.306 1.00 43.33 C ATOM 596 CD2 TYR E 81 -13.248 6.507 27.535 1.00 44.30 C ATOM 597 CE1 TYR E 81 -10.739 5.763 28.403 1.00 41.80 C ATOM 598 CE2 TYR E 81 -12.258 6.142 26.604 1.00 39.56 C ATOM 599 CZ TYR E 81 -10.997 5.771 27.056 1.00 42.46 C ATOM 600 OH TYR E 81 -9.973 5.386 26.190 1.00 48.23 O ATOM 601 HH TYR E 81 -9.164 5.164 26.716 1.00 0.00 H ATOM 602 H TYR E 81 -16.121 5.258 29.250 1.00 0.00 H ATOM 603 N ARG E 82 -16.588 5.693 32.123 1.00 55.85 N ATOM 604 CA ARG E 82 -17.341 6.037 33.321 1.00 51.72 C ATOM 605 C ARG E 82 -16.516 5.753 34.559 1.00 50.04 C ATOM 606 O ARG E 82 -15.833 4.737 34.638 1.00 59.27 O ATOM 607 CB ARG E 82 -18.640 5.231 33.380 1.00 55.52 C ATOM 608 H ARG E 82 -17.024 5.084 31.402 1.00 0.00 H ATOM 609 N GLN E 83 -16.574 6.663 35.532 1.00 59.42 N ATOM 610 CA GLN E 83 -15.961 6.448 36.848 1.00 54.97 C ATOM 611 C GLN E 83 -14.456 6.243 36.812 1.00 48.87 C ATOM 612 O GLN E 83 -13.842 6.041 37.861 1.00 44.33 O ATOM 613 CB GLN E 83 -16.567 5.232 37.543 1.00 66.25 C ATOM 614 CG GLN E 83 -18.038 5.354 37.902 1.00 79.16 C ATOM 615 CD GLN E 83 -18.270 6.142 39.183 1.00 70.59 C ATOM 616 OE1 GLN E 83 -17.611 5.921 40.211 1.00 63.04 O ATOM 617 NE2 GLN E 83 -19.210 7.076 39.124 1.00 76.45 N ATOM 618 HE22 GLN E 83 -19.738 7.227 38.241 1.00 0.00 H ATOM 619 HE21 GLN E 83 -19.419 7.657 39.961 1.00 0.00 H ATOM 620 H GLN E 83 -17.072 7.558 35.352 1.00 0.00 H ATOM 621 N ARG E 84 -13.850 6.296 35.625 1.00 48.45 N ATOM 622 CA ARG E 84 -12.421 6.081 35.482 1.00 46.10 C ATOM 623 C ARG E 84 -11.638 7.301 35.037 1.00 39.87 C ATOM 624 O ARG E 84 -10.406 7.287 35.116 1.00 32.21 O ATOM 625 CB ARG E 84 -12.142 4.982 34.457 1.00 50.43 C ATOM 626 CG ARG E 84 -12.800 3.695 34.752 1.00 47.12 C ATOM 627 CD ARG E 84 -11.968 2.586 34.243 1.00 39.17 C ATOM 628 NE ARG E 84 -12.008 2.498 32.791 1.00 33.16 N ATOM 629 CZ ARG E 84 -10.939 2.416 32.011 1.00 42.79 C ATOM 630 NH1 ARG E 84 -11.096 2.304 30.704 1.00 48.87 N ATOM 631 NH2 ARG E 84 -9.718 2.443 32.518 1.00 41.69 N ATOM 632 HE ARG E 84 -12.941 2.500 32.333 1.00 0.00 H ATOM 633 HH12 ARG E 84 -10.264 2.239 30.084 1.00 0.00 H ATOM 634 HH11 ARG E 84 -12.052 2.281 30.295 1.00 0.00 H ATOM 635 HH22 ARG E 84 -8.892 2.377 31.889 1.00 0.00 H ATOM 636 HH21 ARG E 84 -9.583 2.530 33.546 1.00 0.00 H ATOM 637 H ARG E 84 -14.418 6.497 34.777 1.00 0.00 H ATOM 638 N ALA E 85 -12.291 8.318 34.505 1.00 36.91 N ATOM 639 CA ALA E 85 -11.544 9.369 33.833 1.00 47.05 C ATOM 640 C ALA E 85 -12.017 10.745 34.277 1.00 41.94 C ATOM 641 O ALA E 85 -13.210 11.066 34.192 1.00 37.51 O ATOM 642 CB ALA E 85 -11.660 9.195 32.317 1.00 44.72 C ATOM 643 H ALA E 85 -13.328 8.367 34.566 1.00 0.00 H ATOM 644 N ARG E 86 -11.080 11.557 34.747 1.00 39.65 N ATOM 645 CA ARG E 86 -11.441 12.901 35.136 1.00 45.09 C ATOM 646 C ARG E 86 -10.412 13.888 34.614 1.00 40.76 C ATOM 647 O ARG E 86 -9.261 13.535 34.354 1.00 42.47 O ATOM 648 CB ARG E 86 -11.618 12.993 36.646 1.00 50.16 C ATOM 649 CG ARG E 86 -10.395 12.957 37.460 1.00 49.33 C ATOM 650 CD ARG E 86 -10.810 13.054 38.922 1.00 59.21 C ATOM 651 NE ARG E 86 -9.869 13.838 39.720 1.00 65.97 N ATOM 652 CZ ARG E 86 -9.234 13.398 40.804 1.00 69.19 C ATOM 653 NH1 ARG E 86 -8.394 14.204 41.449 1.00 62.29 N ATOM 654 NH2 ARG E 86 -9.445 12.169 41.259 1.00 63.80 N ATOM 655 HE ARG E 86 -9.681 14.815 39.417 1.00 0.00 H ATOM 656 HH12 ARG E 86 -7.895 13.865 42.296 1.00 0.00 H ATOM 657 HH11 ARG E 86 -8.236 15.173 41.106 1.00 0.00 H ATOM 658 HH22 ARG E 86 -8.944 11.835 42.107 1.00 0.00 H ATOM 659 HH21 ARG E 86 -10.112 11.540 40.768 1.00 0.00 H ATOM 660 H ARG E 86 -10.097 11.230 34.835 1.00 0.00 H ATOM 661 N LEU E 87 -10.877 15.128 34.416 1.00 48.27 N ATOM 662 CA LEU E 87 -10.028 16.271 34.088 1.00 41.39 C ATOM 663 C LEU E 87 -9.669 16.982 35.377 1.00 41.40 C ATOM 664 O LEU E 87 -10.557 17.385 36.131 1.00 46.84 O ATOM 665 CB LEU E 87 -10.735 17.253 33.150 1.00 41.23 C ATOM 666 CG LEU E 87 -9.908 18.446 32.632 1.00 39.11 C ATOM 667 CD1 LEU E 87 -8.841 17.968 31.693 1.00 32.67 C ATOM 668 CD2 LEU E 87 -10.778 19.506 31.942 1.00 39.50 C ATOM 669 H LEU E 87 -11.901 15.287 34.501 1.00 0.00 H ATOM 670 N LEU E 88 -8.374 17.139 35.624 1.00 44.91 N ATOM 671 CA LEU E 88 -7.880 17.732 36.865 1.00 45.69 C ATOM 672 C LEU E 88 -8.094 19.233 36.762 1.00 43.91 C ATOM 673 O LEU E 88 -7.259 19.984 36.267 1.00 41.10 O ATOM 674 CB LEU E 88 -6.423 17.359 37.083 1.00 44.09 C ATOM 675 CG LEU E 88 -6.187 15.853 36.979 1.00 33.27 C ATOM 676 CD1 LEU E 88 -4.778 15.493 37.284 1.00 26.16 C ATOM 677 CD2 LEU E 88 -7.104 15.168 37.911 1.00 40.41 C ATOM 678 H LEU E 88 -7.686 16.829 34.908 1.00 0.00 H ATOM 679 N LYS E 89 -9.258 19.668 37.217 1.00 45.10 N ATOM 680 CA LYS E 89 -9.656 21.046 36.982 1.00 45.55 C ATOM 681 C LYS E 89 -8.759 22.038 37.690 1.00 40.96 C ATOM 682 O LYS E 89 -8.677 23.178 37.239 1.00 43.33 O ATOM 683 CB LYS E 89 -11.097 21.244 37.392 1.00 44.54 C ATOM 684 CG LYS E 89 -12.038 20.584 36.416 1.00 44.27 C ATOM 685 CD LYS E 89 -13.274 20.070 37.092 1.00 59.38 C ATOM 686 CE LYS E 89 -13.858 18.966 36.255 1.00 58.32 C ATOM 687 NZ LYS E 89 -13.216 17.610 36.474 1.00 61.19 N ATOM 688 HZ1 LYS E 89 -12.204 17.665 36.242 1.00 0.00 H ATOM 689 HZ2 LYS E 89 -13.330 17.331 37.469 1.00 0.00 H ATOM 690 HZ3 LYS E 89 -13.676 16.907 35.861 1.00 0.00 H ATOM 691 H LYS E 89 -9.886 19.026 37.741 1.00 0.00 H ATOM 692 N ASP E 90 -8.054 21.634 38.751 1.00 47.55 N ATOM 693 CA ASP E 90 -7.174 22.578 39.436 1.00 62.42 C ATOM 694 C ASP E 90 -5.972 22.955 38.585 1.00 54.05 C ATOM 695 O ASP E 90 -5.439 24.058 38.750 1.00 60.29 O ATOM 696 CB ASP E 90 -6.702 22.021 40.796 1.00 66.65 C ATOM 697 CG ASP E 90 -5.540 21.028 40.679 1.00 62.61 C ATOM 698 OD1 ASP E 90 -5.758 19.931 40.119 1.00 64.39 O ATOM 699 OD2 ASP E 90 -4.420 21.339 41.165 1.00 74.97 O ATOM 700 H ASP E 90 -8.131 20.653 39.087 1.00 0.00 H ATOM 701 N GLN E 91 -5.557 22.077 37.667 1.00 50.30 N ATOM 702 CA GLN E 91 -4.341 22.279 36.885 1.00 47.57 C ATOM 703 C GLN E 91 -4.567 23.187 35.689 1.00 47.27 C ATOM 704 O GLN E 91 -3.594 23.658 35.101 1.00 41.26 O ATOM 705 CB GLN E 91 -3.800 20.931 36.387 1.00 53.41 C ATOM 706 CG GLN E 91 -3.225 20.003 37.447 1.00 50.79 C ATOM 707 CD GLN E 91 -1.867 20.453 37.920 1.00 56.53 C ATOM 708 OE1 GLN E 91 -0.929 20.568 37.126 1.00 52.13 O ATOM 709 NE2 GLN E 91 -1.746 20.713 39.219 1.00 62.09 N ATOM 710 HE22 GLN E 91 -2.565 20.602 39.850 1.00 0.00 H ATOM 711 HE21 GLN E 91 -0.832 21.028 39.603 1.00 0.00 H ATOM 712 H GLN E 91 -6.121 21.219 37.504 1.00 0.00 H ATOM 713 N LEU E 92 -5.824 23.419 35.304 1.00 45.26 N ATOM 714 CA LEU E 92 -6.098 24.310 34.185 1.00 40.47 C ATOM 715 C LEU E 92 -5.532 25.699 34.453 1.00 44.04 C ATOM 716 O LEU E 92 -4.992 26.357 33.550 1.00 45.95 O ATOM 717 CB LEU E 92 -7.609 24.368 33.937 1.00 37.52 C ATOM 718 CG LEU E 92 -8.272 23.087 33.454 1.00 36.10 C ATOM 719 CD1 LEU E 92 -9.763 23.258 33.336 1.00 41.30 C ATOM 720 CD2 LEU E 92 -7.681 22.645 32.144 1.00 35.72 C ATOM 721 H LEU E 92 -6.612 22.961 35.806 1.00 0.00 H ATOM 722 N SER E 93 -5.638 26.152 35.703 1.00 49.93 N ATOM 723 CA SER E 93 -5.126 27.463 36.083 1.00 46.76 C ATOM 724 C SER E 93 -3.644 27.604 35.751 1.00 45.20 C ATOM 725 O SER E 93 -3.207 28.653 35.261 1.00 41.77 O ATOM 726 CB SER E 93 -5.369 27.674 37.567 1.00 44.20 C ATOM 727 OG SER E 93 -6.694 27.304 37.906 1.00 48.44 O ATOM 728 HG SER E 93 -6.838 27.447 38.875 1.00 0.00 H ATOM 729 H SER E 93 -6.096 25.557 36.422 1.00 0.00 H ATOM 730 N LEU E 94 -2.858 26.561 35.997 1.00 39.55 N ATOM 731 CA LEU E 94 -1.464 26.557 35.589 1.00 35.68 C ATOM 732 C LEU E 94 -1.276 26.275 34.097 1.00 36.35 C ATOM 733 O LEU E 94 -0.142 26.073 33.662 1.00 39.51 O ATOM 734 CB LEU E 94 -0.686 25.543 36.436 1.00 38.09 C ATOM 735 H LEU E 94 -3.248 25.733 36.491 1.00 0.00 H ATOM 736 N GLY E 95 -2.337 26.273 33.292 1.00 40.12 N ATOM 737 CA GLY E 95 -2.190 25.989 31.873 1.00 39.22 C ATOM 738 C GLY E 95 -1.876 24.539 31.540 1.00 44.34 C ATOM 739 O GLY E 95 -1.151 24.263 30.573 1.00 38.27 O ATOM 740 H GLY E 95 -3.280 26.476 33.682 1.00 0.00 H ATOM 741 N ASN E 96 -2.411 23.601 32.317 1.00 45.11 N ATOM 742 CA ASN E 96 -2.177 22.177 32.131 1.00 36.12 C ATOM 743 C ASN E 96 -3.529 21.496 32.095 1.00 38.90 C ATOM 744 O ASN E 96 -4.300 21.584 33.054 1.00 43.84 O ATOM 745 CB ASN E 96 -1.314 21.615 33.262 1.00 39.65 C ATOM 746 CG ASN E 96 -1.051 20.126 33.134 1.00 41.34 C ATOM 747 OD1 ASN E 96 -1.314 19.513 32.108 1.00 40.86 O ATOM 748 ND2 ASN E 96 -0.508 19.544 34.189 1.00 45.11 N ATOM 749 HD22 ASN E 96 -0.300 20.102 35.042 1.00 0.00 H ATOM 750 HD21 ASN E 96 -0.288 18.528 34.167 1.00 0.00 H ATOM 751 H ASN E 96 -3.029 23.901 33.098 1.00 0.00 H ATOM 752 N ALA E 97 -3.834 20.841 30.997 1.00 36.68 N ATOM 753 CA ALA E 97 -5.047 20.045 30.904 1.00 42.73 C ATOM 754 C ALA E 97 -4.629 18.597 31.093 1.00 36.84 C ATOM 755 O ALA E 97 -3.929 18.036 30.244 1.00 43.42 O ATOM 756 CB ALA E 97 -5.742 20.273 29.567 1.00 37.83 C ATOM 757 H ALA E 97 -3.195 20.893 30.178 1.00 0.00 H ATOM 758 N ALA E 98 -5.004 18.006 32.215 1.00 35.89 N ATOM 759 CA ALA E 98 -4.508 16.671 32.570 1.00 33.43 C ATOM 760 C ALA E 98 -5.646 15.658 32.595 1.00 27.47 C ATOM 761 O ALA E 98 -6.625 15.817 33.333 1.00 26.55 O ATOM 762 CB ALA E 98 -3.782 16.697 33.913 1.00 35.86 C ATOM 763 H ALA E 98 -5.661 18.495 32.856 1.00 0.00 H ATOM 764 N LEU E 99 -5.522 14.625 31.786 1.00 30.31 N ATOM 765 CA LEU E 99 -6.521 13.561 31.742 1.00 39.13 C ATOM 766 C LEU E 99 -6.032 12.418 32.631 1.00 32.09 C ATOM 767 O LEU E 99 -5.047 11.753 32.314 1.00 28.09 O ATOM 768 CB LEU E 99 -6.769 13.081 30.314 1.00 29.69 C ATOM 769 CG LEU E 99 -7.769 11.925 30.305 1.00 34.40 C ATOM 770 CD1 LEU E 99 -9.116 12.314 30.930 1.00 30.83 C ATOM 771 CD2 LEU E 99 -7.953 11.359 28.889 1.00 40.06 C ATOM 772 H LEU E 99 -4.691 14.566 31.163 1.00 0.00 H ATOM 773 N GLN E 100 -6.682 12.225 33.758 1.00 33.04 N ATOM 774 CA GLN E 100 -6.312 11.170 34.690 1.00 41.61 C ATOM 775 C GLN E 100 -7.216 9.978 34.433 1.00 30.49 C ATOM 776 O GLN E 100 -8.443 10.123 34.444 1.00 40.54 O ATOM 777 CB GLN E 100 -6.448 11.658 36.130 1.00 42.69 C ATOM 778 CG GLN E 100 -5.882 10.727 37.159 1.00 41.48 C ATOM 779 CD GLN E 100 -5.988 11.326 38.534 1.00 46.88 C ATOM 780 OE1 GLN E 100 -7.000 11.131 39.212 1.00 39.82 O ATOM 781 NE2 GLN E 100 -4.936 12.074 38.964 1.00 38.01 N ATOM 782 HE22 GLN E 100 -4.107 12.206 38.351 1.00 0.00 H ATOM 783 HE21 GLN E 100 -4.961 12.514 39.906 1.00 0.00 H ATOM 784 H GLN E 100 -7.484 12.845 33.990 1.00 0.00 H ATOM 785 N ILE E 101 -6.634 8.819 34.156 1.00 36.75 N ATOM 786 CA ILE E 101 -7.426 7.600 33.938 1.00 35.10 C ATOM 787 C ILE E 101 -6.954 6.520 34.921 1.00 39.83 C ATOM 788 O ILE E 101 -5.763 6.175 34.965 1.00 34.95 O ATOM 789 CB ILE E 101 -7.340 7.117 32.483 1.00 41.34 C ATOM 790 CG1 ILE E 101 -7.926 8.174 31.535 1.00 42.47 C ATOM 791 CG2 ILE E 101 -8.063 5.735 32.311 1.00 41.59 C ATOM 792 CD1 ILE E 101 -7.799 7.806 30.043 1.00 42.64 C ATOM 793 H ILE E 101 -5.597 8.772 34.092 1.00 0.00 H ATOM 794 N THR E 102 -7.892 6.012 35.714 1.00 45.73 N ATOM 795 CA THR E 102 -7.705 4.897 36.639 1.00 47.11 C ATOM 796 C THR E 102 -7.868 3.531 35.955 1.00 37.79 C ATOM 797 O THR E 102 -8.675 3.360 35.034 1.00 32.03 O ATOM 798 CB THR E 102 -8.727 5.026 37.776 1.00 38.21 C ATOM 799 OG1 THR E 102 -8.505 6.258 38.453 1.00 49.79 O ATOM 800 CG2 THR E 102 -8.617 3.897 38.784 1.00 63.26 C ATOM 801 HG1 THR E 102 -9.160 6.351 39.189 1.00 0.00 H ATOM 802 H THR E 102 -8.837 6.444 35.672 1.00 0.00 H ATOM 803 N ASP E 103 -7.096 2.557 36.434 1.00 36.02 N ATOM 804 CA ASP E 103 -7.289 1.124 36.148 1.00 39.13 C ATOM 805 C ASP E 103 -7.201 0.826 34.649 1.00 29.68 C ATOM 806 O ASP E 103 -8.153 0.410 34.000 1.00 29.39 O ATOM 807 CB ASP E 103 -8.626 0.635 36.714 1.00 45.71 C ATOM 808 CG ASP E 103 -8.712 -0.884 36.783 1.00 62.22 C ATOM 809 OD1 ASP E 103 -7.723 -1.517 37.227 1.00 54.88 O ATOM 810 OD2 ASP E 103 -9.773 -1.437 36.401 1.00 68.20 O ATOM 811 H ASP E 103 -6.304 2.826 37.052 1.00 0.00 H ATOM 812 N VAL E 104 -6.001 1.011 34.124 1.00 35.63 N ATOM 813 CA VAL E 104 -5.841 1.065 32.682 1.00 36.10 C ATOM 814 C VAL E 104 -6.008 -0.343 32.140 1.00 43.65 C ATOM 815 O VAL E 104 -5.292 -1.272 32.540 1.00 41.64 O ATOM 816 CB VAL E 104 -4.487 1.687 32.297 1.00 41.32 C ATOM 817 CG1 VAL E 104 -4.157 1.397 30.877 1.00 40.82 C ATOM 818 CG2 VAL E 104 -4.513 3.212 32.452 1.00 38.43 C ATOM 819 H VAL E 104 -5.173 1.118 34.744 1.00 0.00 H ATOM 820 N LYS E 105 -6.981 -0.512 31.256 1.00 47.57 N ATOM 821 CA LYS E 105 -7.226 -1.775 30.586 1.00 42.13 C ATOM 822 C LYS E 105 -6.552 -1.756 29.223 1.00 42.61 C ATOM 823 O LYS E 105 -6.012 -0.738 28.784 1.00 41.76 O ATOM 824 CB LYS E 105 -8.734 -2.027 30.444 1.00 40.86 C ATOM 825 H LYS E 105 -7.596 0.297 31.033 1.00 0.00 H ATOM 826 N LEU E 106 -6.591 -2.909 28.550 1.00 48.39 N ATOM 827 CA LEU E 106 -6.016 -3.024 27.212 1.00 45.26 C ATOM 828 C LEU E 106 -6.774 -2.168 26.211 1.00 34.03 C ATOM 829 O LEU E 106 -6.189 -1.706 25.228 1.00 30.59 O ATOM 830 CB LEU E 106 -6.030 -4.487 26.751 1.00 46.28 C ATOM 831 CG LEU E 106 -5.349 -5.571 27.572 1.00 48.46 C ATOM 832 CD1 LEU E 106 -5.608 -6.882 26.863 1.00 49.87 C ATOM 833 CD2 LEU E 106 -3.857 -5.351 27.743 1.00 42.45 C ATOM 834 H LEU E 106 -7.039 -3.740 28.986 1.00 0.00 H ATOM 835 N GLN E 107 -8.075 -1.979 26.434 1.00 33.41 N ATOM 836 CA GLN E 107 -8.900 -1.039 25.672 1.00 37.09 C ATOM 837 C GLN E 107 -8.461 0.421 25.790 1.00 38.81 C ATOM 838 O GLN E 107 -8.942 1.243 25.006 1.00 44.77 O ATOM 839 CB GLN E 107 -10.356 -1.127 26.132 1.00 31.01 C ATOM 840 H GLN E 107 -8.529 -2.529 27.191 1.00 0.00 H ATOM 841 N ASP E 108 -7.633 0.775 26.772 1.00 34.55 N ATOM 842 CA ASP E 108 -7.126 2.130 26.934 1.00 41.50 C ATOM 843 C ASP E 108 -5.868 2.393 26.130 1.00 46.32 C ATOM 844 O ASP E 108 -5.366 3.532 26.154 1.00 34.38 O ATOM 845 CB ASP E 108 -6.834 2.429 28.406 1.00 41.31 C ATOM 846 CG ASP E 108 -8.065 2.385 29.255 1.00 45.47 C ATOM 847 OD1 ASP E 108 -9.176 2.389 28.686 1.00 43.87 O ATOM 848 OD2 ASP E 108 -7.922 2.345 30.494 1.00 47.18 O ATOM 849 H ASP E 108 -7.335 0.049 27.455 1.00 0.00 H ATOM 850 N ALA E 109 -5.322 1.391 25.437 1.00 29.09 N ATOM 851 CA ALA E 109 -4.167 1.697 24.603 1.00 41.58 C ATOM 852 C ALA E 109 -4.641 2.362 23.312 1.00 44.45 C ATOM 853 O ALA E 109 -5.771 2.131 22.855 1.00 40.84 O ATOM 854 CB ALA E 109 -3.352 0.449 24.298 1.00 41.08 C ATOM 855 H ALA E 109 -5.707 0.426 25.491 1.00 0.00 H ATOM 856 N GLY E 110 -3.772 3.218 22.727 1.00 28.79 N ATOM 857 CA GLY E 110 -4.163 3.852 21.485 1.00 41.18 C ATOM 858 C GLY E 110 -4.026 5.380 21.501 1.00 40.31 C ATOM 859 O GLY E 110 -3.292 5.962 22.310 1.00 29.63 O ATOM 860 H GLY E 110 -2.847 3.416 23.158 1.00 0.00 H ATOM 861 N VAL E 111 -4.762 6.020 20.597 1.00 35.61 N ATOM 862 CA VAL E 111 -4.537 7.417 20.257 1.00 37.78 C ATOM 863 C VAL E 111 -5.464 8.306 21.078 1.00 40.37 C ATOM 864 O VAL E 111 -6.683 8.308 20.882 1.00 44.77 O ATOM 865 CB VAL E 111 -4.743 7.652 18.762 1.00 39.73 C ATOM 866 CG1 VAL E 111 -4.520 9.145 18.420 1.00 39.71 C ATOM 867 CG2 VAL E 111 -3.806 6.749 17.980 1.00 37.13 C ATOM 868 H VAL E 111 -5.526 5.504 20.116 1.00 0.00 H ATOM 869 N TYR E 112 -4.877 9.099 21.970 1.00 36.91 N ATOM 870 CA TYR E 112 -5.595 10.141 22.695 1.00 42.47 C ATOM 871 C TYR E 112 -5.292 11.490 22.046 1.00 34.25 C ATOM 872 O TYR E 112 -4.139 11.775 21.695 1.00 34.73 O ATOM 873 CB TYR E 112 -5.199 10.168 24.174 1.00 38.11 C ATOM 874 CG TYR E 112 -5.690 8.985 24.968 1.00 35.84 C ATOM 875 CD1 TYR E 112 -5.075 7.754 24.861 1.00 38.96 C ATOM 876 CD2 TYR E 112 -6.759 9.104 25.833 1.00 37.71 C ATOM 877 CE1 TYR E 112 -5.512 6.694 25.569 1.00 34.34 C ATOM 878 CE2 TYR E 112 -7.201 8.028 26.548 1.00 40.09 C ATOM 879 CZ TYR E 112 -6.571 6.834 26.405 1.00 34.69 C ATOM 880 OH TYR E 112 -7.008 5.773 27.112 1.00 42.43 O ATOM 881 HH TYR E 112 -6.450 4.984 26.899 1.00 0.00 H ATOM 882 H TYR E 112 -3.862 8.970 22.159 1.00 0.00 H ATOM 883 N ARG E 113 -6.321 12.311 21.887 1.00 31.05 N ATOM 884 CA ARG E 113 -6.156 13.634 21.289 1.00 39.74 C ATOM 885 C ARG E 113 -6.786 14.697 22.188 1.00 29.43 C ATOM 886 O ARG E 113 -7.985 14.642 22.499 1.00 28.33 O ATOM 887 CB ARG E 113 -6.760 13.678 19.878 1.00 47.73 C ATOM 888 CG ARG E 113 -5.999 12.808 18.867 1.00 40.45 C ATOM 889 CD ARG E 113 -6.589 12.867 17.466 1.00 37.96 C ATOM 890 NE ARG E 113 -7.945 12.306 17.385 1.00 36.24 N ATOM 891 CZ ARG E 113 -8.538 11.934 16.252 1.00 39.04 C ATOM 892 NH1 ARG E 113 -7.899 12.047 15.086 1.00 43.93 N ATOM 893 NH2 ARG E 113 -9.774 11.454 16.279 1.00 36.76 N ATOM 894 HE ARG E 113 -8.477 12.192 18.271 1.00 0.00 H ATOM 895 HH12 ARG E 113 -8.368 11.754 14.205 1.00 0.00 H ATOM 896 HH11 ARG E 113 -6.932 12.428 15.058 1.00 0.00 H ATOM 897 HH22 ARG E 113 -10.238 11.163 15.395 1.00 0.00 H ATOM 898 HH21 ARG E 113 -10.279 11.368 17.184 1.00 0.00 H ATOM 899 H ARG E 113 -7.267 12.007 22.195 1.00 0.00 H ATOM 900 N CYS E 114 -5.969 15.651 22.616 1.00 40.26 N ATOM 901 CA CYS E 114 -6.433 16.820 23.362 1.00 41.63 C ATOM 902 C CYS E 114 -6.655 17.967 22.395 1.00 31.13 C ATOM 903 O CYS E 114 -5.766 18.286 21.605 1.00 32.88 O ATOM 904 CB CYS E 114 -5.399 17.251 24.399 1.00 32.04 C ATOM 905 SG CYS E 114 -3.911 17.758 23.653 1.00 35.17 S ATOM 906 H CYS E 114 -4.953 15.563 22.412 1.00 0.00 H ATOM 907 N MET E 115 -7.811 18.599 22.460 1.00 32.95 N ATOM 908 CA MET E 115 -7.969 19.896 21.803 1.00 41.75 C ATOM 909 C MET E 115 -8.271 20.972 22.852 1.00 36.09 C ATOM 910 O MET E 115 -9.265 20.891 23.585 1.00 35.05 O ATOM 911 CB MET E 115 -9.051 19.838 20.716 1.00 38.58 C ATOM 912 CG MET E 115 -9.086 21.072 19.823 1.00 37.95 C ATOM 913 SD MET E 115 -9.793 22.478 20.696 1.00 37.85 S ATOM 914 CE MET E 115 -11.498 21.960 20.892 1.00 41.69 C ATOM 915 H MET E 115 -8.608 18.176 22.977 1.00 0.00 H ATOM 916 N ILE E 116 -7.422 21.980 22.920 1.00 34.85 N ATOM 917 CA ILE E 116 -7.627 23.115 23.806 1.00 38.92 C ATOM 918 C ILE E 116 -7.929 24.332 22.941 1.00 40.48 C ATOM 919 O ILE E 116 -7.113 24.722 22.099 1.00 35.27 O ATOM 920 CB ILE E 116 -6.404 23.351 24.699 1.00 37.73 C ATOM 921 CG1 ILE E 116 -6.185 22.094 25.517 1.00 29.09 C ATOM 922 CG2 ILE E 116 -6.614 24.594 25.592 1.00 36.14 C ATOM 923 CD1 ILE E 116 -4.894 22.026 26.201 1.00 47.04 C ATOM 924 H ILE E 116 -6.575 21.962 22.317 1.00 0.00 H ATOM 925 N SER E 117 -9.125 24.882 23.112 1.00 35.54 N ATOM 926 CA SER E 117 -9.492 26.194 22.597 1.00 44.76 C ATOM 927 C SER E 117 -9.510 27.203 23.749 1.00 37.64 C ATOM 928 O SER E 117 -10.259 27.045 24.714 1.00 32.82 O ATOM 929 CB SER E 117 -10.856 26.145 21.904 1.00 38.92 C ATOM 930 OG SER E 117 -11.267 27.434 21.486 1.00 45.26 O ATOM 931 HG SER E 117 -10.603 27.801 20.850 1.00 0.00 H ATOM 932 H SER E 117 -9.840 24.346 23.644 1.00 0.00 H ATOM 933 N TYR E 118 -8.709 28.251 23.632 1.00 42.05 N ATOM 934 CA TYR E 118 -8.629 29.273 24.663 1.00 48.05 C ATOM 935 C TYR E 118 -8.278 30.585 23.956 1.00 46.80 C ATOM 936 O TYR E 118 -7.195 31.152 24.119 1.00 45.24 O ATOM 937 CB TYR E 118 -7.593 28.898 25.725 1.00 46.33 C ATOM 938 CG TYR E 118 -7.480 29.846 26.898 1.00 46.84 C ATOM 939 CD1 TYR E 118 -8.574 30.126 27.708 1.00 52.49 C ATOM 940 CD2 TYR E 118 -6.272 30.431 27.219 1.00 38.00 C ATOM 941 CE1 TYR E 118 -8.464 30.976 28.797 1.00 43.91 C ATOM 942 CE2 TYR E 118 -6.152 31.256 28.310 1.00 43.11 C ATOM 943 CZ TYR E 118 -7.247 31.539 29.093 1.00 48.79 C ATOM 944 OH TYR E 118 -7.112 32.395 30.184 1.00 54.11 O ATOM 945 HH TYR E 118 -6.802 33.281 29.870 1.00 0.00 H ATOM 946 H TYR E 118 -8.121 28.346 22.779 1.00 0.00 H ATOM 947 N GLY E 119 -9.212 31.066 23.144 1.00 44.36 N ATOM 948 CA GLY E 119 -8.932 32.145 22.219 1.00 41.51 C ATOM 949 C GLY E 119 -8.501 31.558 20.897 1.00 41.68 C ATOM 950 O GLY E 119 -9.308 31.381 19.980 1.00 36.67 O ATOM 951 H GLY E 119 -10.168 30.658 23.173 1.00 0.00 H ATOM 952 N GLY E 120 -7.219 31.252 20.799 1.00 40.27 N ATOM 953 CA GLY E 120 -6.752 30.290 19.828 1.00 41.29 C ATOM 954 C GLY E 120 -7.020 28.835 20.246 1.00 43.01 C ATOM 955 O GLY E 120 -7.406 28.514 21.368 1.00 45.07 O ATOM 956 H GLY E 120 -6.534 31.712 21.432 1.00 0.00 H ATOM 957 N ALA E 121 -6.801 27.937 19.298 1.00 45.18 N ATOM 958 CA ALA E 121 -7.082 26.520 19.453 1.00 37.39 C ATOM 959 C ALA E 121 -5.883 25.743 18.939 1.00 44.58 C ATOM 960 O ALA E 121 -5.195 26.201 18.026 1.00 47.81 O ATOM 961 CB ALA E 121 -8.346 26.116 18.689 1.00 28.36 C ATOM 962 H ALA E 121 -6.406 28.264 18.393 1.00 0.00 H ATOM 963 N ASP E 122 -5.614 24.580 19.544 1.00 43.64 N ATOM 964 CA ASP E 122 -4.576 23.681 19.035 1.00 45.80 C ATOM 965 C ASP E 122 -4.751 22.305 19.670 1.00 50.04 C ATOM 966 O ASP E 122 -5.541 22.114 20.596 1.00 44.33 O ATOM 967 CB ASP E 122 -3.157 24.213 19.295 1.00 46.73 C ATOM 968 CG ASP E 122 -2.097 23.456 18.516 1.00 47.73 C ATOM 969 OD1 ASP E 122 -2.411 22.899 17.436 1.00 36.02 O ATOM 970 OD2 ASP E 122 -0.956 23.392 19.003 1.00 52.45 O ATOM 971 H ASP E 122 -6.152 24.309 20.392 1.00 0.00 H ATOM 972 N TYR E 123 -3.995 21.346 19.155 1.00 44.61 N ATOM 973 CA TYR E 123 -4.216 19.959 19.504 1.00 40.97 C ATOM 974 C TYR E 123 -2.899 19.208 19.437 1.00 45.16 C ATOM 975 O TYR E 123 -1.966 19.591 18.719 1.00 43.14 O ATOM 976 CB TYR E 123 -5.225 19.321 18.558 1.00 40.28 C ATOM 977 CG TYR E 123 -4.553 18.794 17.305 1.00 52.00 C ATOM 978 CD1 TYR E 123 -4.170 19.661 16.278 1.00 52.85 C ATOM 979 CD2 TYR E 123 -4.280 17.423 17.152 1.00 56.99 C ATOM 980 CE1 TYR E 123 -3.528 19.184 15.130 1.00 61.37 C ATOM 981 CE2 TYR E 123 -3.650 16.933 16.002 1.00 64.24 C ATOM 982 CZ TYR E 123 -3.271 17.810 14.997 1.00 70.30 C ATOM 983 OH TYR E 123 -2.637 17.300 13.867 1.00 68.76 O ATOM 984 HH TYR E 123 -2.429 18.041 13.244 1.00 0.00 H ATOM 985 H TYR E 123 -3.233 21.593 18.492 1.00 0.00 H ATOM 986 N LYS E 124 -2.830 18.124 20.201 1.00 48.09 N ATOM 987 CA LYS E 124 -1.745 17.164 20.056 1.00 51.38 C ATOM 988 C LYS E 124 -2.317 15.744 20.088 1.00 40.82 C ATOM 989 O LYS E 124 -3.468 15.510 20.469 1.00 33.50 O ATOM 990 CB LYS E 124 -0.666 17.378 21.141 1.00 53.40 C ATOM 991 CG LYS E 124 0.279 18.566 20.854 1.00 47.47 C ATOM 992 CD LYS E 124 1.169 18.259 19.650 1.00 48.15 C ATOM 993 CE LYS E 124 2.149 19.345 19.293 1.00 54.47 C ATOM 994 NZ LYS E 124 1.472 20.633 18.860 1.00 59.99 N ATOM 995 HZ1 LYS E 124 0.883 20.449 18.023 1.00 0.00 H ATOM 996 HZ2 LYS E 124 0.875 20.987 19.634 1.00 0.00 H ATOM 997 HZ3 LYS E 124 2.196 21.342 18.627 1.00 0.00 H ATOM 998 H LYS E 124 -3.566 17.957 20.917 1.00 0.00 H ATOM 999 N ARG E 125 -1.513 14.807 19.623 1.00 44.78 N ATOM 1000 CA ARG E 125 -1.856 13.395 19.625 1.00 45.93 C ATOM 1001 C ARG E 125 -0.959 12.734 20.658 1.00 41.24 C ATOM 1002 O ARG E 125 0.215 13.090 20.783 1.00 45.12 O ATOM 1003 CB ARG E 125 -1.664 12.779 18.217 1.00 45.73 C ATOM 1004 CG ARG E 125 -2.865 12.966 17.232 1.00 48.51 C ATOM 1005 CD ARG E 125 -2.571 12.497 15.795 1.00 46.19 C ATOM 1006 NE ARG E 125 -2.226 11.069 15.704 1.00 43.88 N ATOM 1007 CZ ARG E 125 -3.074 10.081 15.376 1.00 48.08 C ATOM 1008 NH1 ARG E 125 -4.352 10.320 15.078 1.00 41.77 N ATOM 1009 NH2 ARG E 125 -2.633 8.825 15.334 1.00 44.49 N ATOM 1010 HE ARG E 125 -1.242 10.803 15.911 1.00 0.00 H ATOM 1011 HH12 ARG E 125 -4.984 9.533 14.828 1.00 0.00 H ATOM 1012 HH11 ARG E 125 -4.717 11.294 15.096 1.00 0.00 H ATOM 1013 HH22 ARG E 125 -3.283 8.054 15.081 1.00 0.00 H ATOM 1014 HH21 ARG E 125 -1.638 8.615 15.554 1.00 0.00 H ATOM 1015 H ARG E 125 -0.590 15.092 19.237 1.00 0.00 H ATOM 1016 N ILE E 126 -1.518 11.833 21.456 1.00 40.61 N ATOM 1017 CA ILE E 126 -0.737 11.119 22.469 1.00 41.78 C ATOM 1018 C ILE E 126 -1.008 9.628 22.344 1.00 34.51 C ATOM 1019 O ILE E 126 -2.166 9.196 22.331 1.00 33.57 O ATOM 1020 CB ILE E 126 -1.058 11.611 23.891 1.00 40.32 C ATOM 1021 CG1 ILE E 126 -0.551 13.055 24.051 1.00 44.01 C ATOM 1022 CG2 ILE E 126 -0.420 10.714 24.922 1.00 43.17 C ATOM 1023 CD1 ILE E 126 -1.059 13.784 25.255 1.00 38.40 C ATOM 1024 H ILE E 126 -2.533 11.629 21.360 1.00 0.00 H ATOM 1025 N THR E 127 0.057 8.844 22.261 1.00 40.28 N ATOM 1026 CA THR E 127 -0.070 7.395 22.142 1.00 44.20 C ATOM 1027 C THR E 127 0.145 6.742 23.506 1.00 34.01 C ATOM 1028 O THR E 127 1.107 7.051 24.215 1.00 41.44 O ATOM 1029 CB THR E 127 0.915 6.857 21.104 1.00 49.72 C ATOM 1030 OG1 THR E 127 0.613 7.432 19.822 1.00 49.53 O ATOM 1031 CG2 THR E 127 0.818 5.345 21.000 1.00 47.93 C ATOM 1032 HG1 THR E 127 1.250 7.085 19.148 1.00 0.00 H ATOM 1033 H THR E 127 1.005 9.271 22.281 1.00 0.00 H ATOM 1034 N VAL E 128 -0.778 5.878 23.888 1.00 37.37 N ATOM 1035 CA VAL E 128 -0.646 5.050 25.080 1.00 34.87 C ATOM 1036 C VAL E 128 -0.385 3.607 24.652 1.00 37.87 C ATOM 1037 O VAL E 128 -1.111 3.066 23.810 1.00 40.43 O ATOM 1038 CB VAL E 128 -1.906 5.142 25.949 1.00 37.00 C ATOM 1039 CG1 VAL E 128 -1.775 4.206 27.162 1.00 38.14 C ATOM 1040 CG2 VAL E 128 -2.190 6.633 26.364 1.00 40.11 C ATOM 1041 H VAL E 128 -1.639 5.784 23.312 1.00 0.00 H ATOM 1042 N LYS E 129 0.640 2.983 25.243 1.00 41.90 N ATOM 1043 CA LYS E 129 0.875 1.542 25.163 1.00 42.98 C ATOM 1044 C LYS E 129 0.629 0.897 26.516 1.00 41.99 C ATOM 1045 O LYS E 129 1.287 1.240 27.500 1.00 44.50 O ATOM 1046 CB LYS E 129 2.309 1.209 24.743 1.00 48.56 C ATOM 1047 CG LYS E 129 2.659 1.537 23.315 1.00 63.12 C ATOM 1048 CD LYS E 129 2.057 0.555 22.323 1.00 61.91 C ATOM 1049 CE LYS E 129 1.560 1.287 21.079 1.00 43.95 C ATOM 1050 H LYS E 129 1.310 3.558 25.793 1.00 0.00 H ATOM 1051 N VAL E 130 -0.239 -0.100 26.551 1.00 44.10 N ATOM 1052 CA VAL E 130 -0.487 -0.846 27.774 1.00 45.86 C ATOM 1053 C VAL E 130 0.333 -2.130 27.737 1.00 37.20 C ATOM 1054 O VAL E 130 0.222 -2.920 26.800 1.00 47.77 O ATOM 1055 CB VAL E 130 -1.980 -1.140 27.945 1.00 49.06 C ATOM 1056 CG1 VAL E 130 -2.191 -1.901 29.213 1.00 49.08 C ATOM 1057 CG2 VAL E 130 -2.755 0.153 27.969 1.00 40.68 C ATOM 1058 H VAL E 130 -0.755 -0.356 25.685 1.00 0.00 H ATOM 1059 N ASN E 131 1.176 -2.324 28.731 1.00 38.63 N ATOM 1060 CA ASN E 131 1.893 -3.576 28.920 1.00 41.22 C ATOM 1061 C ASN E 131 1.003 -4.484 29.754 1.00 42.78 C ATOM 1062 O ASN E 131 0.760 -4.198 30.932 1.00 44.75 O ATOM 1063 CB ASN E 131 3.232 -3.345 29.616 1.00 41.58 C ATOM 1064 CG ASN E 131 4.306 -2.848 28.674 1.00 43.76 C ATOM 1065 OD1 ASN E 131 4.153 -2.869 27.450 1.00 32.56 O ATOM 1066 ND2 ASN E 131 5.419 -2.395 29.247 1.00 52.36 N ATOM 1067 HD22 ASN E 131 5.507 -2.395 30.283 1.00 0.00 H ATOM 1068 HD21 ASN E 131 6.200 -2.041 28.658 1.00 0.00 H ATOM 1069 H ASN E 131 1.335 -1.551 29.408 1.00 0.00 H ATOM 1070 N ALA E 132 0.515 -5.573 29.151 1.00 43.52 N ATOM 1071 CA ALA E 132 -0.300 -6.527 29.891 1.00 50.95 C ATOM 1072 C ALA E 132 0.569 -7.416 30.757 1.00 33.89 C ATOM 1073 O ALA E 132 1.788 -7.444 30.627 1.00 23.15 O ATOM 1074 CB ALA E 132 -1.125 -7.410 28.965 1.00 45.06 C ATOM 1075 H ALA E 132 0.719 -5.740 28.145 1.00 0.00 H ATOM 1076 N ALA E 133 -0.094 -8.083 31.698 1.00 37.22 N ATOM 1077 CA ALA E 133 0.423 -9.241 32.413 1.00 48.26 C ATOM 1078 C ALA E 133 1.940 -9.434 32.322 1.00 46.11 C ATOM 1079 O ALA E 133 2.651 -8.963 33.211 1.00 57.67 O ATOM 1080 CB ALA E 133 -0.307 -10.484 31.904 1.00 77.32 C ATOM 1081 H ALA E 133 -1.050 -7.754 31.940 1.00 0.00 H ATOM 1082 N TYR E 134 2.461 -10.109 31.281 1.00 37.06 N ATOM 1083 CA TYR E 134 3.887 -10.481 31.212 1.00 44.76 C ATOM 1084 C TYR E 134 4.509 -10.098 29.893 1.00 41.36 C ATOM 1085 O TYR E 134 5.341 -10.831 29.348 1.00 35.39 O ATOM 1086 CB TYR E 134 4.144 -11.983 31.417 1.00 46.55 C ATOM 1087 CG TYR E 134 3.796 -12.455 32.768 1.00 58.08 C ATOM 1088 CD1 TYR E 134 4.698 -12.337 33.820 1.00 68.08 C ATOM 1089 CD2 TYR E 134 2.550 -12.993 33.012 1.00 64.40 C ATOM 1090 CE1 TYR E 134 4.371 -12.744 35.060 1.00 68.32 C ATOM 1091 CE2 TYR E 134 2.211 -13.391 34.244 1.00 65.67 C ATOM 1092 CZ TYR E 134 3.130 -13.262 35.265 1.00 68.99 C ATOM 1093 OH TYR E 134 2.785 -13.666 36.504 1.00 70.65 O ATOM 1094 HH TYR E 134 3.542 -13.511 37.123 1.00 0.00 H ATOM 1095 H TYR E 134 1.835 -10.379 30.496 1.00 0.00 H ATOM 1096 N ALA E 135 4.158 -8.937 29.373 1.00 50.39 N ATOM 1097 CA ALA E 135 4.807 -8.427 28.180 1.00 48.88 C ATOM 1098 C ALA E 135 6.321 -8.355 28.391 1.00 47.39 C ATOM 1099 O ALA E 135 7.099 -8.463 27.435 1.00 58.38 O ATOM 1100 CB ALA E 135 4.228 -7.040 27.820 1.00 46.57 C ATOM 1101 H ALA E 135 3.405 -8.380 29.825 1.00 0.00 H TER 1102 ALA E 135 HETATM 1103 O HOH 1 -6.454 -2.011 38.802 1.00 43.37 O HETATM 1104 O HOH 2 -10.206 -0.177 33.853 1.00 38.79 O HETATM 1105 O HOH 3 -9.901 29.313 19.154 1.00 55.04 O HETATM 1106 O HOH 4 -13.277 35.531 27.566 1.00 37.32 O HETATM 1107 O HOH 5 -1.717 31.441 15.495 1.00 39.30 O HETATM 1108 O HOH 6 -17.983 31.914 28.008 1.00 29.97 O HETATM 1109 O HOH 7 -19.633 18.033 29.070 1.00 27.10 O HETATM 1110 O HOH 8 -6.263 19.868 34.017 1.00 36.39 O HETATM 1111 O HOH 9 1.120 -10.762 29.312 1.00 36.69 O HETATM 1112 O HOH 10 -2.932 28.226 17.041 1.00 68.54 O HETATM 1113 O HOH 11 7.693 7.608 26.132 1.00 60.60 O HETATM 1114 O HOH 12 -13.671 15.617 34.878 1.00 43.16 O HETATM 1115 O HOH 13 -8.367 37.626 41.873 1.00 27.19 O HETATM 1116 O HOH 14 -15.527 11.181 19.338 1.00 30.15 O HETATM 1117 O HOH 15 5.671 20.878 27.040 1.00 44.64 O HETATM 1118 O HOH 16 8.061 -6.382 25.943 1.00 51.31 O HETATM 1119 O HOH 17 -9.872 -3.570 27.768 1.00 23.86 O HETATM 1120 O HOH 18 -13.998 11.379 17.209 1.00 30.00 O HETATM 1121 O HOH 19 6.894 0.076 33.123 1.00 39.75 O HETATM 1122 O HOH 20 -19.459 28.732 33.880 1.00 46.67 O HETATM 1123 O HOH 21 -20.786 11.072 23.078 1.00 54.98 O HETATM 1124 O HOH 22 -5.150 25.030 41.454 1.00 61.22 O HETATM 1125 O HOH 23 -18.375 8.780 23.035 1.00 26.33 O HETATM 1126 O HOH 24 -21.080 5.029 25.318 1.00 43.97 O HETATM 1127 O HOH 25 5.172 -6.020 32.455 1.00 36.84 O HETATM 1128 O HOH 26 -15.133 4.549 16.003 1.00 47.14 O HETATM 1129 O HOH 27 -4.813 34.337 29.822 1.00 45.01 O HETATM 1130 O HOH 28 -15.146 34.278 26.218 1.00 38.52 O HETATM 1131 O HOH 29 2.708 11.917 33.401 1.00 40.76 O HETATM 1132 O HOH 30 -7.928 9.004 17.832 1.00 40.09 O HETATM 1133 O HOH 31 -8.310 -5.296 29.791 1.00 40.95 O HETATM 1134 O HOH 32 -7.890 -4.651 36.637 1.00 37.80 O HETATM 1135 O HOH 33 -15.014 36.719 28.762 1.00 49.42 O HETATM 1136 O HOH 34 -11.161 28.569 16.602 1.00 31.98 O HETATM 1137 O HOH 35 -21.817 7.237 24.089 1.00 59.77 O HETATM 1138 O HOH 36 -27.804 22.470 25.093 1.00 40.69 O HETATM 1139 O HOH 37 -25.325 25.202 25.850 1.00 36.68 O HETATM 1140 O HOH 38 -23.474 26.463 27.061 1.00 49.89 O HETATM 1141 N PHE A 39 -20.466 20.251 18.499 1.00 -0.26 N HETATM 1142 CA PHE A 39 -19.279 20.758 19.085 1.00 0.14 C HETATM 1143 C PHE A 39 -19.657 21.621 20.168 1.00 0.21 C HETATM 1144 O PHE A 39 -19.886 21.034 21.181 1.00 -0.39 O HETATM 1145 N PHE A 39 -19.815 22.887 20.038 1.00 -0.25 N HETATM 1146 CM PHE A 39 -20.398 23.454 18.850 1.00 0.03 C HETATM 1147 H10 PHE A 39 -20.601 22.654 18.123 1.00 0.05 H HETATM 1148 H11 PHE A 39 -19.699 24.180 18.409 1.00 0.05 H HETATM 1149 H12 PHE A 39 -21.339 23.961 19.110 1.00 0.05 H HETATM 1150 CA PHE A 39 -19.428 23.668 21.189 1.00 0.13 C HETATM 1151 CB PHE A 39 -19.816 25.073 20.839 1.00 -0.02 C HETATM 1152 H14 PHE A 39 -19.554 25.744 21.671 1.00 0.03 H HETATM 1153 H15 PHE A 39 -20.900 25.120 20.658 1.00 0.03 H HETATM 1154 H16 PHE A 39 -19.279 25.387 19.932 1.00 0.03 H HETATM 1155 C PHE A 39 -20.091 23.361 22.485 1.00 0.20 C HETATM 1156 O PHE A 39 -19.616 23.713 23.468 1.00 -0.39 O HETATM 1157 N PHE A 39 -21.195 22.710 22.437 1.00 -0.26 N HETATM 1158 CA PHE A 39 -22.139 22.460 23.478 1.00 0.15 C HETATM 1159 C PHE A 39 -21.840 21.321 24.407 1.00 0.21 C HETATM 1160 O PHE A 39 -21.672 20.220 23.991 1.00 -0.39 O HETATM 1161 N PHE A 39 -21.749 21.613 25.670 1.00 -0.25 N HETATM 1162 CA PHE A 39 -21.722 20.737 26.788 1.00 0.13 C HETATM 1163 C PHE A 39 -22.066 19.322 26.841 1.00 0.20 C HETATM 1164 O PHE A 39 -21.132 18.754 27.223 1.00 -0.39 O HETATM 1165 N PHE A 39 -23.048 18.506 26.683 1.00 -0.26 N HETATM 1166 CA PHE A 39 -24.438 18.366 26.386 1.00 0.14 C HETATM 1167 C PHE A 39 -24.585 17.612 25.169 1.00 0.21 C HETATM 1168 O PHE A 39 -25.509 16.886 25.112 1.00 -0.39 O HETATM 1169 N PHE A 39 -23.710 17.722 24.243 1.00 -0.26 N HETATM 1170 CA PHE A 39 -23.918 17.030 23.029 1.00 0.13 C HETATM 1171 C PHE A 39 -23.022 15.910 22.713 1.00 0.20 C HETATM 1172 O PHE A 39 -23.366 14.866 23.074 1.00 -0.39 O HETATM 1173 N PHE A 39 -21.969 16.038 22.022 1.00 -0.26 N HETATM 1174 CA PHE A 39 -21.193 14.933 21.636 1.00 0.15 C HETATM 1175 C PHE A 39 -20.445 15.338 20.527 1.00 0.21 C HETATM 1176 O PHE A 39 -21.002 15.766 19.578 1.00 -0.39 O HETATM 1177 N PHE A 39 -19.203 15.237 20.702 1.00 -0.26 N HETATM 1178 CA PHE A 39 -18.389 15.781 19.709 1.00 0.14 C HETATM 1179 C PHE A 39 -17.822 14.730 18.833 1.00 0.21 C HETATM 1180 O PHE A 39 -17.993 13.567 19.000 1.00 -0.39 O HETATM 1181 N PHE A 39 -17.204 15.368 17.918 1.00 -0.26 N HETATM 1182 CA PHE A 39 -16.184 15.174 17.006 1.00 0.15 C HETATM 1183 C PHE A 39 -15.606 14.011 16.432 1.00 0.21 C HETATM 1184 O PHE A 39 -16.439 13.207 16.148 1.00 -0.39 O HETATM 1185 N PHE A 39 -14.323 13.927 16.061 1.00 -0.26 N HETATM 1186 CA PHE A 39 -13.166 14.804 15.972 1.00 0.14 C HETATM 1187 C PHE A 39 -12.931 15.286 14.619 1.00 0.21 C HETATM 1188 O PHE A 39 -13.022 14.432 13.825 1.00 -0.39 O HETATM 1189 N PHE A 39 -12.632 16.538 14.291 1.00 -0.25 N HETATM 1190 CA PHE A 39 -12.077 17.566 15.219 1.00 0.13 C HETATM 1191 CB PHE A 39 -10.980 18.338 14.496 1.00 -0.01 C HETATM 1192 CG PHE A 39 -10.343 19.502 15.235 1.00 -0.05 C HETATM 1193 CD PHE A 39 -9.117 19.072 15.969 1.00 -0.06 C HETATM 1194 CE PHE A 39 -8.089 20.171 16.046 1.00 -0.07 C HETATM 1195 H78 PHE A 39 -7.206 19.809 16.594 1.00 0.02 H HETATM 1196 H79 PHE A 39 -8.517 21.037 16.572 1.00 0.02 H HETATM 1197 H80 PHE A 39 -7.793 20.468 15.029 1.00 0.02 H HETATM 1198 H81 PHE A 39 -9.400 18.778 16.991 1.00 0.03 H HETATM 1199 H82 PHE A 39 -8.676 18.209 15.448 1.00 0.03 H HETATM 1200 H83 PHE A 39 -10.071 20.282 14.508 1.00 0.03 H HETATM 1201 H84 PHE A 39 -11.068 19.909 15.955 1.00 0.03 H HETATM 1202 H85 PHE A 39 -10.180 17.624 14.252 1.00 0.03 H HETATM 1203 H86 PHE A 39 -11.413 18.735 13.566 1.00 0.03 H HETATM 1204 C PHE A 39 -12.897 18.531 16.039 1.00 0.21 C HETATM 1205 O PHE A 39 -12.792 18.553 17.242 1.00 -0.39 O HETATM 1206 N PHE A 39 -13.637 19.416 15.480 1.00 -0.25 N HETATM 1207 CA PHE A 39 -14.788 19.893 16.220 1.00 0.13 C HETATM 1208 CB PHE A 39 -14.230 20.915 17.182 1.00 -0.01 C HETATM 1209 CG PHE A 39 -13.510 22.058 16.500 1.00 -0.05 C HETATM 1210 CD PHE A 39 -12.807 22.927 17.501 1.00 -0.06 C HETATM 1211 CE PHE A 39 -11.417 23.302 17.100 1.00 -0.07 C HETATM 1212 H91 PHE A 39 -10.969 23.936 17.880 1.00 0.02 H HETATM 1213 H92 PHE A 39 -11.446 23.855 16.150 1.00 0.02 H HETATM 1214 H93 PHE A 39 -10.813 22.391 16.976 1.00 0.02 H HETATM 1215 H94 PHE A 39 -13.392 23.850 17.631 1.00 0.03 H HETATM 1216 H95 PHE A 39 -12.758 22.386 18.457 1.00 0.03 H HETATM 1217 H96 PHE A 39 -12.770 21.648 15.797 1.00 0.03 H HETATM 1218 H97 PHE A 39 -14.242 22.666 15.948 1.00 0.03 H HETATM 1219 H98 PHE A 39 -15.062 21.329 17.770 1.00 0.03 H HETATM 1220 H99 PHE A 39 -13.521 20.409 17.854 1.00 0.03 H HETATM 1221 C PHE A 39 -15.886 20.510 15.476 1.00 0.20 C HETATM 1222 O PHE A 39 -15.768 21.617 15.090 1.00 -0.39 O HETATM 1223 N PHE A 39 -16.999 19.962 15.166 1.00 -0.26 N HETATM 1224 CA PHE A 39 -17.479 18.639 15.112 1.00 0.13 C HETATM 1225 C PHE A 39 -18.444 18.169 16.096 1.00 0.20 C HETATM 1226 O PHE A 39 -18.185 18.068 17.211 1.00 -0.39 O HETATM 1227 N PHE A 39 -19.579 17.822 15.599 1.00 -0.26 N HETATM 1228 CA PHE A 39 -20.493 17.107 16.376 1.00 0.14 C HETATM 1229 CB PHE A 39 -21.903 17.526 16.235 1.00 0.04 C HETATM 1230 SG PHE A 39 -22.014 19.170 16.640 1.00 -0.13 S HETATM 1231 CD PHE A 39 -22.605 19.386 18.219 1.00 0.08 C HETATM 1232 CE PHE A 39 -21.638 20.120 19.032 1.00 0.19 C HETATM 1233 OZ2 PHE A 39 -22.062 20.451 20.045 1.00 -0.40 O HETATM 1234 H121 PHE A 39 -22.788 18.402 18.675 1.00 0.06 H HETATM 1235 H122 PHE A 39 -23.547 19.952 18.178 1.00 0.06 H HETATM 1236 H119 PHE A 39 -22.537 16.933 16.911 1.00 0.04 H HETATM 1237 H120 PHE A 39 -22.233 17.376 15.197 1.00 0.04 H HETATM 1238 C PHE A 39 -20.409 15.691 16.032 1.00 0.20 C HETATM 1239 O PHE A 39 -20.028 15.316 14.986 1.00 -0.39 O HETATM 1240 N PHE A 39 -20.794 14.878 16.946 1.00 -0.27 N HETATM 1241 CA PHE A 39 -20.881 13.494 16.685 1.00 0.12 C HETATM 1242 C PHE A 39 -22.273 13.229 16.244 1.00 0.20 C HETATM 1243 O PHE A 39 -23.202 13.702 16.831 1.00 -0.40 O HETATM 1244 N PHE A 39 -22.365 12.448 15.198 1.00 -0.30 N HETATM 1245 H126 PHE A 39 -23.263 12.212 14.827 1.00 0.18 H HETATM 1246 H127 PHE A 39 -21.537 12.087 14.769 1.00 0.18 H HETATM 1247 H124 PHE A 39 -20.657 12.921 17.597 1.00 0.08 H HETATM 1248 H125 PHE A 39 -20.172 13.213 15.892 1.00 0.08 H HETATM 1249 H123 PHE A 39 -21.035 15.228 17.851 1.00 0.19 H HETATM 1250 H118 PHE A 39 -20.207 17.238 17.430 1.00 0.08 H HETATM 1251 H117 PHE A 39 -19.807 18.064 14.656 1.00 0.19 H HETATM 1252 CB PHE A 39 -16.594 17.613 14.488 1.00 -0.01 C HETATM 1253 CG PHE A 39 -16.027 18.147 13.199 1.00 -0.02 C HETATM 1254 CD PHE A 39 -16.633 17.593 11.947 1.00 0.06 C HETATM 1255 NE PHE A 39 -15.849 18.119 10.880 1.00 -0.27 N HETATM 1256 CZ PHE A 39 -15.376 17.355 9.950 1.00 0.29 C HETATM 1257 NH1 PHE A 39 -14.544 17.816 9.164 1.00 -0.28 N HETATM 1258 H113 PHE A 39 -14.157 17.222 8.417 1.00 0.26 H HETATM 1259 H114 PHE A 39 -14.237 18.795 9.255 1.00 0.26 H HETATM 1260 NH2 PHE A 39 -15.731 16.099 9.850 1.00 -0.28 N HETATM 1261 H115 PHE A 39 -16.425 15.707 10.502 1.00 0.26 H HETATM 1262 H116 PHE A 39 -15.316 15.503 9.119 1.00 0.26 H HETATM 1263 H112 PHE A 39 -15.655 19.130 10.849 1.00 0.26 H HETATM 1264 H110 PHE A 39 -17.680 17.917 11.851 1.00 0.07 H HETATM 1265 H111 PHE A 39 -16.588 16.494 11.952 1.00 0.07 H HETATM 1266 H108 PHE A 39 -14.951 17.920 13.183 1.00 0.03 H HETATM 1267 H109 PHE A 39 -16.172 19.237 13.191 1.00 0.03 H HETATM 1268 H106 PHE A 39 -17.178 16.704 14.282 1.00 0.03 H HETATM 1269 H107 PHE A 39 -15.771 17.372 15.177 1.00 0.03 H HETATM 1270 H105 PHE A 39 -18.178 18.773 14.274 1.00 0.08 H HETATM 1271 H104 PHE A 39 -17.693 20.631 14.899 1.00 0.19 H HETATM 1272 H100 PHE A 39 -15.209 19.043 16.777 1.00 0.08 H HETATM 1273 CM PHE A 39 -13.345 19.921 14.188 1.00 0.03 C HETATM 1274 H101 PHE A 39 -12.438 19.434 13.800 1.00 0.05 H HETATM 1275 H102 PHE A 39 -13.181 21.007 14.247 1.00 0.05 H HETATM 1276 H103 PHE A 39 -14.189 19.713 13.514 1.00 0.05 H HETATM 1277 H87 PHE A 39 -11.572 16.960 15.985 1.00 0.08 H HETATM 1278 CM PHE A 39 -12.787 16.885 12.913 1.00 0.03 C HETATM 1279 H88 PHE A 39 -13.204 16.028 12.364 1.00 0.05 H HETATM 1280 H89 PHE A 39 -11.807 17.150 12.489 1.00 0.05 H HETATM 1281 H90 PHE A 39 -13.469 17.744 12.825 1.00 0.05 H HETATM 1282 CB PHE A 39 -11.998 13.948 16.231 1.00 0.00 C HETATM 1283 CG PHE A 39 -10.737 14.667 16.007 1.00 -0.04 C HETATM 1284 CD1 PHE A 39 -10.036 14.746 14.868 1.00 0.02 C HETATM 1285 NE1 PHE A 39 -8.928 15.434 15.047 1.00 -0.29 N HETATM 1286 CE2 PHE A 39 -8.817 15.836 16.285 1.00 0.06 C HETATM 1287 CD2 PHE A 39 -9.965 15.368 16.991 1.00 -0.02 C HETATM 1288 CE3 PHE A 39 -10.133 15.618 18.307 1.00 -0.07 C HETATM 1289 CZ3 PHE A 39 -9.182 16.334 18.972 1.00 -0.08 C HETATM 1290 CH2 PHE A 39 -8.069 16.795 18.331 1.00 -0.08 C HETATM 1291 CZ2 PHE A 39 -7.880 16.541 16.999 1.00 -0.04 C HETATM 1292 H75 PHE A 39 -6.984 16.899 16.505 1.00 0.05 H HETATM 1293 H77 PHE A 39 -7.329 17.366 18.880 1.00 0.05 H HETATM 1294 H76 PHE A 39 -9.312 16.541 20.028 1.00 0.05 H HETATM 1295 H74 PHE A 39 -11.012 15.255 18.828 1.00 0.05 H HETATM 1296 H73 PHE A 39 -8.239 15.630 14.307 1.00 0.22 H HETATM 1297 H72 PHE A 39 -10.341 14.301 13.922 1.00 0.08 H HETATM 1298 H70 PHE A 39 -12.037 13.079 15.558 1.00 0.04 H HETATM 1299 H71 PHE A 39 -12.032 13.605 17.276 1.00 0.04 H HETATM 1300 H69 PHE A 39 -13.250 15.637 16.685 1.00 0.08 H HETATM 1301 H68 PHE A 39 -14.096 13.001 15.760 1.00 0.19 H HETATM 1302 CB PHE A 39 -15.205 16.025 17.593 1.00 0.08 C HETATM 1303 OG PHE A 39 -14.943 16.759 16.447 1.00 -0.39 O HETATM 1304 H67 PHE A 39 -14.282 17.414 16.636 1.00 0.21 H HETATM 1305 H65 PHE A 39 -14.325 15.473 17.954 1.00 0.06 H HETATM 1306 H66 PHE A 39 -15.612 16.641 18.408 1.00 0.06 H HETATM 1307 H64 PHE A 39 -16.560 15.680 16.105 1.00 0.08 H HETATM 1308 H63 PHE A 39 -17.571 16.295 17.835 1.00 0.19 H HETATM 1309 CB PHE A 39 -17.460 16.841 20.296 1.00 0.00 C HETATM 1310 CG PHE A 39 -18.131 17.851 21.178 1.00 -0.04 C HETATM 1311 CD1 PHE A 39 -19.433 18.181 21.358 1.00 0.02 C HETATM 1312 NE1 PHE A 39 -19.578 19.123 22.284 1.00 -0.29 N HETATM 1313 CE2 PHE A 39 -18.424 19.452 22.793 1.00 0.06 C HETATM 1314 CD2 PHE A 39 -17.427 18.674 22.134 1.00 -0.02 C HETATM 1315 CE3 PHE A 39 -16.117 18.798 22.415 1.00 -0.07 C HETATM 1316 CZ3 PHE A 39 -15.754 19.689 23.354 1.00 -0.08 C HETATM 1317 CH2 PHE A 39 -16.692 20.432 23.990 1.00 -0.08 C HETATM 1318 CZ2 PHE A 39 -18.017 20.333 23.720 1.00 -0.04 C HETATM 1319 H60 PHE A 39 -18.735 20.954 24.244 1.00 0.05 H HETATM 1320 H62 PHE A 39 -16.369 21.136 24.748 1.00 0.05 H HETATM 1321 H61 PHE A 39 -14.707 19.814 23.604 1.00 0.05 H HETATM 1322 H59 PHE A 39 -15.376 18.197 21.900 1.00 0.05 H HETATM 1323 H58 PHE A 39 -20.479 19.537 22.562 1.00 0.22 H HETATM 1324 H57 PHE A 39 -20.259 17.730 20.811 1.00 0.08 H HETATM 1325 H55 PHE A 39 -16.985 17.378 19.462 1.00 0.04 H HETATM 1326 H56 PHE A 39 -16.689 16.328 20.889 1.00 0.04 H HETATM 1327 H54 PHE A 39 -19.062 16.347 19.048 1.00 0.08 H HETATM 1328 H53 PHE A 39 -18.820 14.790 21.511 1.00 0.19 H HETATM 1329 CB PHE A 39 -21.930 13.788 21.053 1.00 0.08 C HETATM 1330 OG PHE A 39 -22.771 13.209 22.018 1.00 -0.39 O HETATM 1331 H52 PHE A 39 -23.395 13.857 22.323 1.00 0.21 H HETATM 1332 H50 PHE A 39 -21.210 13.035 20.700 1.00 0.06 H HETATM 1333 H51 PHE A 39 -22.538 14.140 20.206 1.00 0.06 H HETATM 1334 H49 PHE A 39 -20.567 14.607 22.480 1.00 0.08 H HETATM 1335 H48 PHE A 39 -21.681 16.954 21.742 1.00 0.19 H HETATM 1336 CB PHE A 39 -24.024 18.056 21.949 1.00 -0.01 C HETATM 1337 CG PHE A 39 -25.444 18.257 21.475 1.00 -0.04 C HETATM 1338 CD1 PHE A 39 -26.389 18.417 22.624 1.00 -0.06 C HETATM 1339 H42 PHE A 39 -27.410 18.561 22.241 1.00 0.02 H HETATM 1340 H43 PHE A 39 -26.095 19.292 23.222 1.00 0.02 H HETATM 1341 H44 PHE A 39 -26.357 17.515 23.253 1.00 0.02 H HETATM 1342 CD2 PHE A 39 -25.561 19.449 20.550 1.00 -0.06 C HETATM 1343 H45 PHE A 39 -24.865 19.328 19.707 1.00 0.02 H HETATM 1344 H46 PHE A 39 -25.312 20.367 21.102 1.00 0.02 H HETATM 1345 H47 PHE A 39 -26.591 19.518 20.169 1.00 0.02 H HETATM 1346 H41 PHE A 39 -25.739 17.359 20.913 1.00 0.03 H HETATM 1347 H39 PHE A 39 -23.410 17.733 21.095 1.00 0.03 H HETATM 1348 H40 PHE A 39 -23.642 19.013 22.334 1.00 0.03 H HETATM 1349 H38 PHE A 39 -24.912 16.567 23.117 1.00 0.08 H HETATM 1350 H37 PHE A 39 -22.895 18.286 24.375 1.00 0.19 H HETATM 1351 CB PHE A 39 -25.539 19.344 26.586 1.00 0.04 C HETATM 1352 CG PHE A 39 -25.480 19.922 27.930 1.00 0.06 C HETATM 1353 ND1 PHE A 39 -25.223 19.285 29.038 1.00 -0.26 N HETATM 1354 CE1 PHE A 39 -25.239 20.155 30.027 1.00 0.09 C HETATM 1355 NE2 PHE A 39 -25.516 21.347 29.513 1.00 -0.34 N HETATM 1356 CD2 PHE A 39 -25.661 21.232 28.205 1.00 -0.03 C HETATM 1357 H35 PHE A 39 -25.881 22.028 27.495 1.00 0.03 H HETATM 1358 H36 PHE A 39 -25.058 19.936 31.078 1.00 0.11 H HETATM 1359 H34 PHE A 39 -25.039 18.275 29.125 1.00 0.24 H HETATM 1360 H32 PHE A 39 -26.504 18.833 26.455 1.00 0.05 H HETATM 1361 H33 PHE A 39 -25.446 20.149 25.842 1.00 0.05 H HETATM 1362 H31 PHE A 39 -24.717 17.636 27.160 1.00 0.08 H HETATM 1363 H30 PHE A 39 -22.687 17.585 26.829 1.00 0.19 H HETATM 1364 CB PHE A 39 -22.241 21.466 27.955 1.00 -0.01 C HETATM 1365 CG PHE A 39 -22.288 22.866 27.487 1.00 -0.03 C HETATM 1366 CD PHE A 39 -21.520 22.894 26.220 1.00 0.04 C HETATM 1367 H28 PHE A 39 -21.894 23.683 25.550 1.00 0.05 H HETATM 1368 H29 PHE A 39 -20.449 23.054 26.413 1.00 0.05 H HETATM 1369 H26 PHE A 39 -21.827 23.534 28.229 1.00 0.03 H HETATM 1370 H27 PHE A 39 -23.328 23.176 27.311 1.00 0.03 H HETATM 1371 H24 PHE A 39 -21.566 21.361 28.817 1.00 0.03 H HETATM 1372 H25 PHE A 39 -23.244 21.108 28.229 1.00 0.03 H HETATM 1373 H23 PHE A 39 -20.639 20.677 26.972 1.00 0.08 H HETATM 1374 CB PHE A 39 -23.437 22.140 22.790 1.00 0.08 C HETATM 1375 CG PHE A 39 -24.613 21.853 23.687 1.00 0.18 C HETATM 1376 OD1 PHE A 39 -25.573 21.392 23.210 1.00 -0.40 O HETATM 1377 ND2 PHE A 39 -24.648 22.102 24.958 1.00 -0.30 N HETATM 1378 H21 PHE A 39 -25.467 21.883 25.488 1.00 0.18 H HETATM 1379 H22 PHE A 39 -23.856 22.514 25.409 1.00 0.18 H HETATM 1380 H19 PHE A 39 -23.273 21.254 22.159 1.00 0.06 H HETATM 1381 H20 PHE A 39 -23.701 22.999 22.155 1.00 0.06 H HETATM 1382 H18 PHE A 39 -22.241 23.375 24.080 1.00 0.08 H HETATM 1383 H17 PHE A 39 -21.427 22.323 21.545 1.00 0.19 H HETATM 1384 H13 PHE A 39 -18.340 23.581 21.326 1.00 0.08 H HETATM 1385 CB PHE A 39 -18.263 21.405 18.191 1.00 0.02 C HETATM 1386 CG PHE A 39 -17.103 21.990 18.937 1.00 -0.04 C HETATM 1387 CD1 PHE A 39 -16.582 23.184 18.565 1.00 -0.06 C HETATM 1388 CE1 PHE A 39 -15.520 23.710 19.242 1.00 -0.07 C HETATM 1389 CZ PHE A 39 -14.969 23.061 20.302 1.00 -0.07 C HETATM 1390 CE2 PHE A 39 -15.478 21.869 20.682 1.00 -0.07 C HETATM 1391 CD2 PHE A 39 -16.544 21.340 20.001 1.00 -0.06 C HETATM 1392 H6 PHE A 39 -16.952 20.386 20.313 1.00 0.06 H HETATM 1393 H8 PHE A 39 -15.046 21.334 21.520 1.00 0.06 H HETATM 1394 H9 PHE A 39 -14.131 23.495 20.836 1.00 0.06 H HETATM 1395 H7 PHE A 39 -15.108 24.663 18.929 1.00 0.06 H HETATM 1396 H5 PHE A 39 -17.010 23.723 17.727 1.00 0.06 H HETATM 1397 H3 PHE A 39 -18.757 22.210 17.627 1.00 0.05 H HETATM 1398 H4 PHE A 39 -17.881 20.647 17.491 1.00 0.05 H HETATM 1399 H2 PHE A 39 -18.765 19.890 19.524 1.00 0.08 H HETATM 1400 H1 PHE A 39 -20.387 19.955 17.547 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 213 212 905 CONECT 905 213 904 CONECT 1141 1142 1232 1400 CONECT 1142 1141 1143 1385 1399 CONECT 1143 1142 1144 1145 CONECT 1144 1143 CONECT 1145 1143 1146 1150 CONECT 1146 1145 1147 1148 1149 CONECT 1147 1146 CONECT 1148 1146 CONECT 1149 1146 CONECT 1150 1145 1151 1155 1384 CONECT 1151 1150 1152 1153 1154 CONECT 1152 1151 CONECT 1153 1151 CONECT 1154 1151 CONECT 1155 1150 1156 1157 CONECT 1156 1155 CONECT 1157 1155 1158 1383 CONECT 1158 1157 1159 1374 1382 CONECT 1159 1158 1160 1161 CONECT 1160 1159 CONECT 1161 1159 1162 1366 CONECT 1162 1161 1163 1364 1373 CONECT 1163 1162 1164 1165 CONECT 1164 1163 CONECT 1165 1163 1166 1363 CONECT 1166 1165 1167 1351 1362 CONECT 1167 1166 1168 1169 CONECT 1168 1167 CONECT 1169 1167 1170 1350 CONECT 1170 1169 1171 1336 1349 CONECT 1171 1170 1172 1173 CONECT 1172 1171 CONECT 1173 1171 1174 1335 CONECT 1174 1173 1175 1329 1334 CONECT 1175 1174 1176 1177 CONECT 1176 1175 CONECT 1177 1175 1178 1328 CONECT 1178 1177 1179 1309 1327 CONECT 1179 1178 1180 1181 CONECT 1180 1179 CONECT 1181 1179 1182 1308 CONECT 1182 1181 1183 1302 1307 CONECT 1183 1182 1184 1185 CONECT 1184 1183 CONECT 1185 1183 1186 1301 CONECT 1186 1185 1187 1282 1300 CONECT 1187 1186 1188 1189 CONECT 1188 1187 CONECT 1189 1187 1190 1278 CONECT 1190 1189 1191 1204 1277 CONECT 1191 1190 1192 1202 1203 CONECT 1192 1191 1193 1200 1201 CONECT 1193 1192 1194 1198 1199 CONECT 1194 1193 1195 1196 1197 CONECT 1195 1194 CONECT 1196 1194 CONECT 1197 1194 CONECT 1198 1193 CONECT 1199 1193 CONECT 1200 1192 CONECT 1201 1192 CONECT 1202 1191 CONECT 1203 1191 CONECT 1204 1190 1205 1206 CONECT 1205 1204 CONECT 1206 1204 1207 1273 CONECT 1207 1206 1208 1221 1272 CONECT 1208 1207 1209 1219 1220 CONECT 1209 1208 1210 1217 1218 CONECT 1210 1209 1211 1215 1216 CONECT 1211 1210 1212 1213 1214 CONECT 1212 1211 CONECT 1213 1211 CONECT 1214 1211 CONECT 1215 1210 CONECT 1216 1210 CONECT 1217 1209 CONECT 1218 1209 CONECT 1219 1208 CONECT 1220 1208 CONECT 1221 1207 1222 1223 CONECT 1222 1221 CONECT 1223 1221 1224 1271 CONECT 1224 1223 1225 1252 1270 CONECT 1225 1224 1226 1227 CONECT 1226 1225 CONECT 1227 1225 1228 1251 CONECT 1228 1227 1229 1238 1250 CONECT 1229 1228 1230 1236 1237 CONECT 1230 1229 1231 CONECT 1231 1230 1232 1234 1235 CONECT 1232 1141 1231 1233 CONECT 1233 1232 CONECT 1234 1231 CONECT 1235 1231 CONECT 1236 1229 CONECT 1237 1229 CONECT 1238 1228 1239 1240 CONECT 1239 1238 CONECT 1240 1238 1241 1249 CONECT 1241 1240 1242 1247 1248 CONECT 1242 1241 1243 1244 CONECT 1243 1242 CONECT 1244 1242 1245 1246 CONECT 1245 1244 CONECT 1246 1244 CONECT 1247 1241 CONECT 1248 1241 CONECT 1249 1240 CONECT 1250 1228 CONECT 1251 1227 CONECT 1252 1224 1253 1268 1269 CONECT 1253 1252 1254 1266 1267 CONECT 1254 1253 1255 1264 1265 CONECT 1255 1254 1256 1263 CONECT 1256 1255 1257 1260 CONECT 1257 1256 1258 1259 CONECT 1258 1257 CONECT 1259 1257 CONECT 1260 1256 1261 1262 CONECT 1261 1260 CONECT 1262 1260 CONECT 1263 1255 CONECT 1264 1254 CONECT 1265 1254 CONECT 1266 1253 CONECT 1267 1253 CONECT 1268 1252 CONECT 1269 1252 CONECT 1270 1224 CONECT 1271 1223 CONECT 1272 1207 CONECT 1273 1206 1274 1275 1276 CONECT 1274 1273 CONECT 1275 1273 CONECT 1276 1273 CONECT 1277 1190 CONECT 1278 1189 1279 1280 1281 CONECT 1279 1278 CONECT 1280 1278 CONECT 1281 1278 CONECT 1282 1186 1283 1298 1299 CONECT 1283 1282 1284 1287 CONECT 1284 1283 1285 1297 CONECT 1285 1284 1286 1296 CONECT 1286 1285 1287 1291 CONECT 1287 1283 1286 1288 CONECT 1288 1287 1289 1295 CONECT 1289 1288 1290 1294 CONECT 1290 1289 1291 1293 CONECT 1291 1286 1290 1292 CONECT 1292 1291 CONECT 1293 1290 CONECT 1294 1289 CONECT 1295 1288 CONECT 1296 1285 CONECT 1297 1284 CONECT 1298 1282 CONECT 1299 1282 CONECT 1300 1186 CONECT 1301 1185 CONECT 1302 1182 1303 1305 1306 CONECT 1303 1302 1304 CONECT 1304 1303 CONECT 1305 1302 CONECT 1306 1302 CONECT 1307 1182 CONECT 1308 1181 CONECT 1309 1178 1310 1325 1326 CONECT 1310 1309 1311 1314 CONECT 1311 1310 1312 1324 CONECT 1312 1311 1313 1323 CONECT 1313 1312 1314 1318 CONECT 1314 1310 1313 1315 CONECT 1315 1314 1316 1322 CONECT 1316 1315 1317 1321 CONECT 1317 1316 1318 1320 CONECT 1318 1313 1317 1319 CONECT 1319 1318 CONECT 1320 1317 CONECT 1321 1316 CONECT 1322 1315 CONECT 1323 1312 CONECT 1324 1311 CONECT 1325 1309 CONECT 1326 1309 CONECT 1327 1178 CONECT 1328 1177 CONECT 1329 1174 1330 1332 1333 CONECT 1330 1329 1331 CONECT 1331 1330 CONECT 1332 1329 CONECT 1333 1329 CONECT 1334 1174 CONECT 1335 1173 CONECT 1336 1170 1337 1347 1348 CONECT 1337 1336 1338 1342 1346 CONECT 1338 1337 1339 1340 1341 CONECT 1339 1338 CONECT 1340 1338 CONECT 1341 1338 CONECT 1342 1337 1343 1344 1345 CONECT 1343 1342 CONECT 1344 1342 CONECT 1345 1342 CONECT 1346 1337 CONECT 1347 1336 CONECT 1348 1336 CONECT 1349 1170 CONECT 1350 1169 CONECT 1351 1166 1352 1360 1361 CONECT 1352 1351 1353 1356 CONECT 1353 1352 1354 1359 CONECT 1354 1353 1355 1358 CONECT 1355 1354 1356 CONECT 1356 1352 1355 1357 CONECT 1357 1356 CONECT 1358 1354 CONECT 1359 1353 CONECT 1360 1351 CONECT 1361 1351 CONECT 1362 1166 CONECT 1363 1165 CONECT 1364 1162 1365 1371 1372 CONECT 1365 1364 1366 1369 1370 CONECT 1366 1161 1365 1367 1368 CONECT 1367 1366 CONECT 1368 1366 CONECT 1369 1365 CONECT 1370 1365 CONECT 1371 1364 CONECT 1372 1364 CONECT 1373 1162 CONECT 1374 1158 1375 1380 1381 CONECT 1375 1374 1376 1377 CONECT 1376 1375 CONECT 1377 1375 1378 1379 CONECT 1378 1377 CONECT 1379 1377 CONECT 1380 1374 CONECT 1381 1374 CONECT 1382 1158 CONECT 1383 1157 CONECT 1384 1150 CONECT 1385 1142 1386 1397 1398 CONECT 1386 1385 1387 1391 CONECT 1387 1386 1388 1396 CONECT 1388 1387 1389 1395 CONECT 1389 1388 1390 1394 CONECT 1390 1389 1391 1393 CONECT 1391 1386 1390 1392 CONECT 1392 1391 CONECT 1393 1390 CONECT 1394 1389 CONECT 1395 1388 CONECT 1396 1387 CONECT 1397 1385 CONECT 1398 1385 CONECT 1399 1142 CONECT 1400 1141 MASTER 0 0 0 0 0 0 0 0 1399 1 266 10 END
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Entry Information
PDB ID
5o4y
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Programmed cell death 1 ligand 1
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
IC50=7nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Angew. Chem. Int. Ed. Engl. Vol. 56: pp. 13732-13735
Ligand Properties
Formula
C
8
9
H
1
2
7
N
2
4
O
1
9
S
Molecular Weight
1869.180
Exact Mass
1867.940
No. of atoms
260
No. of bonds
267
Polar Surface Area
679.55
LOGP Value
3.23 (
Computed with XLOGP3
)
0.98 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 30
No. of Nitrogen and Oxygen Atoms: 43
No. of Rings: 8
Canonical SMILES
CCCC[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2[nH]cnc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C1=O)C)CCCC)CCC[NH+]=C(N)N)C(=O)NCC(=O)N)Cc1ccccc1)C)C)CC(=O)N)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2
InChI String
InChI=1S/C89H126N24O19S/c1-9-11-29-69-83(127)101-59(28-20-32-95-89(92)93)77(121)109-68(76(120)98-43-73(91)117)46-133-47-74(118)100-63(35-51-22-14-13-15-23-51)85(129)110(6)50(5)75(119)105-65(39-72(90)116)87(131)113-33-21-31-70(113)84(128)104-62(38-54-42-94-48-99-54)80(124)102-60(34-49(3)4)78(122)107-66(44-114)81(125)103-61(36-52-40-96-57-26-18-16-24-55(52)57)79(123)108-67(45-115)82(126)106-64(37-53-41-97-58-27-19-17-25-56(53)58)86(130)112(8)71(30-12-10-2)88(132)111(69)7/h13-19,22-27,40-42,48-50,59-71,96-97,114-115H,9-12,20-21,28-39,43-47H2,1-8H3,(H2,90,116)(H2,91,117)(H,94,99)(H,98,120)(H,100,118)(H,101,127)(H,102,124)(H,103,125)(H,104,128)(H,105,119)(H,106,126)(H,107,122)(H,108,123)(H,109,121)(H4,92,93,95)/p+1/t50-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
Q9NZQ7
Entrez Gene ID
NCBI Entrez Gene ID:
29126
ASD
Information of known allosteric effects of PDB entries
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