Browse entries in the PDBbind-CN Database
HEADER 6MNY_COMPLEX COMPND 6MNY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 153 TRP GLU ILE ASP PRO LYS ASP LEU THR PHE LEU LYS GLU SEQRES 2 A 153 LEU GLY THR GLY GLN PHE GLY VAL VAL LYS TYR GLY LYS SEQRES 3 A 153 TRP ARG GLY GLN TYR ASP VAL ALA ILE LYS MET ILE ARG SEQRES 4 A 153 GLU GLY SER MET SER GLU ASP GLU PHE ILE GLU GLU ALA SEQRES 5 A 153 LYS VAL MET MET ASN LEU SER HIS GLU LYS LEU VAL GLN SEQRES 6 A 153 LEU TYR GLY VAL CYS THR LYS GLN ARG PRO ILE PHE ILE SEQRES 7 A 153 ILE THR GLU TYR MET ALA ASN GLY CYS LEU LEU ASN TYR SEQRES 8 A 153 LEU ARG GLU MET ARG HIS ARG PHE GLN THR GLN GLN LEU SEQRES 9 A 153 LEU GLU MET CYS LYS ASP VAL CYS GLU ALA MET GLU TYR SEQRES 10 A 153 LEU GLU SER LYS GLN PHE LEU HIS ARG ASP LEU ALA ALA SEQRES 11 A 153 ARG ASN CYS LEU VAL ASN ASP GLN GLY VAL VAL LYS VAL SEQRES 12 A 153 SER ASP PHE GLY LEU SER ARG TYR VAL LEU SEQRES 1 A 99 LYS PHE PRO VAL ARG TRP SER PRO PRO GLU VAL LEU MET SEQRES 2 A 99 TYR SER LYS PHE SER SER LYS SER ASP ILE TRP ALA PHE SEQRES 3 A 99 GLY VAL LEU MET TRP GLU ILE TYR SER LEU GLY LYS MET SEQRES 4 A 99 PRO TYR GLU ARG PHE THR ASN SER GLU ALA ALA GLU HIS SEQRES 5 A 99 ILE ALA GLN GLY LEU ARG LEU TYR ARG PRO HIS LEU ALA SEQRES 6 A 99 SER GLU ARG VAL TYR THR ILE MET TYR SER CYS TRP HIS SEQRES 7 A 99 GLU LYS ALA ASP GLU ARG PRO SER PHE LYS ILE LEU LEU SEQRES 8 A 99 SER ASN ILE LEU ASP VAL MET ASP HET JVP A 338 32 ATOM 1 N TRP A 395 15.611 14.762 -5.368 1.00 40.11 N ATOM 2 CA TRP A 395 15.649 16.062 -6.031 1.00 40.53 C ATOM 3 C TRP A 395 15.034 17.170 -5.155 1.00 39.76 C ATOM 4 O TRP A 395 13.913 17.042 -4.663 1.00 37.62 O ATOM 5 CB TRP A 395 15.042 15.998 -7.449 1.00 40.97 C ATOM 6 CG TRP A 395 15.004 17.312 -8.186 1.00 43.70 C ATOM 7 CD1 TRP A 395 13.902 17.920 -8.718 1.00 47.55 C ATOM 8 CD2 TRP A 395 16.113 18.178 -8.465 1.00 44.35 C ATOM 9 NE1 TRP A 395 14.257 19.103 -9.325 1.00 48.24 N ATOM 10 CE2 TRP A 395 15.609 19.290 -9.178 1.00 49.72 C ATOM 11 CE3 TRP A 395 17.486 18.131 -8.167 1.00 45.68 C ATOM 12 CZ2 TRP A 395 16.430 20.342 -9.605 1.00 49.80 C ATOM 13 CZ3 TRP A 395 18.297 19.173 -8.591 1.00 48.19 C ATOM 14 CH2 TRP A 395 17.771 20.257 -9.310 1.00 49.77 C ATOM 15 HE1 TRP A 395 13.607 19.750 -9.815 1.00 0.00 H ATOM 16 HN3 TRP A 395 14.624 14.507 -5.164 1.00 0.00 H ATOM 17 HN2 TRP A 395 16.148 14.812 -4.479 1.00 0.00 H ATOM 18 HN1 TRP A 395 16.034 14.044 -5.990 1.00 0.00 H ATOM 19 N GLU A 396 15.829 18.232 -4.932 1.00 34.79 N ATOM 20 CA GLU A 396 15.554 19.386 -4.081 1.00 32.97 C ATOM 21 C GLU A 396 14.301 20.147 -4.458 1.00 34.56 C ATOM 22 O GLU A 396 14.345 21.014 -5.333 1.00 34.56 O ATOM 23 CB GLU A 396 16.774 20.329 -4.032 1.00 34.49 C ATOM 24 CG GLU A 396 17.849 19.921 -3.038 1.00 38.75 C ATOM 25 CD GLU A 396 17.553 20.185 -1.574 1.00 48.39 C ATOM 26 OE1 GLU A 396 16.674 21.022 -1.267 1.00 40.84 O ATOM 27 OE2 GLU A 396 18.219 19.552 -0.726 1.00 36.28 O ATOM 28 H GLU A 396 16.746 18.231 -5.423 1.00 0.00 H ATOM 29 N ILE A 397 13.176 19.812 -3.792 1.00 29.02 N ATOM 30 CA ILE A 397 11.887 20.486 -3.977 1.00 28.21 C ATOM 31 C ILE A 397 12.041 21.875 -3.356 1.00 34.27 C ATOM 32 O ILE A 397 12.570 21.974 -2.237 1.00 34.53 O ATOM 33 CB ILE A 397 10.725 19.680 -3.331 1.00 28.95 C ATOM 34 CG1 ILE A 397 10.310 18.531 -4.241 1.00 28.33 C ATOM 35 CG2 ILE A 397 9.519 20.572 -3.017 1.00 28.98 C ATOM 36 CD1 ILE A 397 9.893 17.345 -3.536 1.00 28.92 C ATOM 37 H ILE A 397 13.226 19.030 -3.108 1.00 0.00 H ATOM 38 N ASP A 398 11.638 22.944 -4.089 1.00 30.24 N ATOM 39 CA ASP A 398 11.736 24.285 -3.535 1.00 30.08 C ATOM 40 C ASP A 398 10.625 24.460 -2.481 1.00 33.17 C ATOM 41 O ASP A 398 9.460 24.220 -2.811 1.00 33.76 O ATOM 42 CB ASP A 398 11.671 25.363 -4.626 1.00 32.97 C ATOM 43 CG ASP A 398 12.101 26.726 -4.119 1.00 47.81 C ATOM 44 OD1 ASP A 398 11.383 27.301 -3.277 1.00 48.49 O ATOM 45 OD2 ASP A 398 13.172 27.208 -4.547 1.00 58.04 O ATOM 46 H ASP A 398 11.259 22.804 -5.047 1.00 0.00 H ATOM 47 N PRO A 399 10.940 24.856 -1.220 1.00 27.67 N ATOM 48 CA PRO A 399 9.882 25.015 -0.208 1.00 27.35 C ATOM 49 C PRO A 399 8.809 26.060 -0.536 1.00 34.66 C ATOM 50 O PRO A 399 7.764 26.030 0.107 1.00 35.12 O ATOM 51 CB PRO A 399 10.649 25.351 1.069 1.00 28.77 C ATOM 52 CG PRO A 399 12.030 24.907 0.811 1.00 33.04 C ATOM 53 CD PRO A 399 12.257 25.149 -0.640 1.00 29.10 C ATOM 54 N LYS A 400 9.036 26.942 -1.553 1.00 33.25 N ATOM 55 CA LYS A 400 8.062 27.938 -2.046 1.00 34.50 C ATOM 56 C LYS A 400 6.915 27.240 -2.804 1.00 41.03 C ATOM 57 O LYS A 400 5.798 27.764 -2.866 1.00 42.21 O ATOM 58 CB LYS A 400 8.721 29.004 -2.944 1.00 36.96 C ATOM 59 CG LYS A 400 9.563 30.032 -2.186 1.00 40.40 C ATOM 60 CD LYS A 400 10.249 31.021 -3.133 1.00 45.20 C ATOM 61 CE LYS A 400 10.959 32.129 -2.386 1.00 49.62 C ATOM 62 NZ LYS A 400 11.125 33.355 -3.206 1.00 51.68 N ATOM 63 HZ1 LYS A 400 11.685 33.131 -4.053 1.00 0.00 H ATOM 64 HZ2 LYS A 400 10.190 33.709 -3.491 1.00 0.00 H ATOM 65 HZ3 LYS A 400 11.617 34.081 -2.646 1.00 0.00 H ATOM 66 H LYS A 400 9.966 26.911 -2.017 1.00 0.00 H ATOM 67 N ASP A 401 7.192 26.037 -3.348 1.00 37.49 N ATOM 68 CA ASP A 401 6.212 25.216 -4.057 1.00 36.97 C ATOM 69 C ASP A 401 5.240 24.568 -3.075 1.00 39.91 C ATOM 70 O ASP A 401 4.128 24.200 -3.446 1.00 39.15 O ATOM 71 CB ASP A 401 6.929 24.116 -4.864 1.00 37.63 C ATOM 72 CG ASP A 401 7.778 24.596 -6.033 1.00 40.87 C ATOM 73 OD1 ASP A 401 7.663 25.785 -6.412 1.00 38.50 O ATOM 74 OD2 ASP A 401 8.536 23.779 -6.581 1.00 48.83 O ATOM 75 H ASP A 401 8.161 25.672 -3.258 1.00 0.00 H ATOM 76 N LEU A 402 5.655 24.442 -1.820 1.00 35.88 N ATOM 77 CA LEU A 402 4.879 23.762 -0.791 1.00 34.90 C ATOM 78 C LEU A 402 3.902 24.659 -0.007 1.00 41.61 C ATOM 79 O LEU A 402 4.246 25.765 0.407 1.00 42.22 O ATOM 80 CB LEU A 402 5.830 23.025 0.163 1.00 33.09 C ATOM 81 CG LEU A 402 6.913 22.126 -0.476 1.00 35.10 C ATOM 82 CD1 LEU A 402 7.958 21.746 0.533 1.00 33.88 C ATOM 83 CD2 LEU A 402 6.324 20.899 -1.122 1.00 34.21 C ATOM 84 H LEU A 402 6.577 24.847 -1.559 1.00 0.00 H ATOM 85 N THR A 403 2.674 24.163 0.186 1.00 38.73 N ATOM 86 CA THR A 403 1.633 24.820 0.976 1.00 39.30 C ATOM 87 C THR A 403 1.216 23.819 2.110 1.00 43.20 C ATOM 88 O THR A 403 1.138 22.617 1.861 1.00 42.54 O ATOM 89 CB THR A 403 0.528 25.420 0.080 1.00 46.36 C ATOM 90 OG1 THR A 403 -0.367 26.196 0.869 1.00 50.96 O ATOM 91 CG2 THR A 403 -0.257 24.396 -0.660 1.00 44.98 C ATOM 92 HG1 THR A 403 -1.072 26.577 0.288 1.00 0.00 H ATOM 93 H THR A 403 2.445 23.250 -0.255 1.00 0.00 H ATOM 94 N PHE A 404 1.072 24.308 3.364 1.00 39.30 N ATOM 95 CA PHE A 404 0.768 23.500 4.552 1.00 38.09 C ATOM 96 C PHE A 404 -0.645 23.799 5.006 1.00 44.41 C ATOM 97 O PHE A 404 -0.964 24.953 5.307 1.00 46.94 O ATOM 98 CB PHE A 404 1.774 23.789 5.668 1.00 39.49 C ATOM 99 CG PHE A 404 3.219 23.590 5.275 1.00 40.04 C ATOM 100 CD1 PHE A 404 3.765 22.317 5.192 1.00 41.34 C ATOM 101 CD2 PHE A 404 4.037 24.677 5.007 1.00 41.88 C ATOM 102 CE1 PHE A 404 5.091 22.136 4.829 1.00 41.06 C ATOM 103 CE2 PHE A 404 5.368 24.490 4.655 1.00 43.91 C ATOM 104 CZ PHE A 404 5.890 23.221 4.582 1.00 40.44 C ATOM 105 H PHE A 404 1.185 25.333 3.496 1.00 0.00 H ATOM 106 N LEU A 405 -1.503 22.767 5.018 1.00 39.28 N ATOM 107 CA LEU A 405 -2.927 22.921 5.261 1.00 39.74 C ATOM 108 C LEU A 405 -3.474 22.224 6.502 1.00 44.95 C ATOM 109 O LEU A 405 -4.432 22.724 7.102 1.00 46.41 O ATOM 110 CB LEU A 405 -3.705 22.448 4.013 1.00 39.66 C ATOM 111 CG LEU A 405 -3.196 22.914 2.640 1.00 44.65 C ATOM 112 CD1 LEU A 405 -3.588 21.945 1.555 1.00 44.56 C ATOM 113 CD2 LEU A 405 -3.662 24.334 2.315 1.00 47.02 C ATOM 114 H LEU A 405 -1.131 21.811 4.845 1.00 0.00 H ATOM 115 N LYS A 406 -2.930 21.051 6.849 1.00 39.82 N ATOM 116 CA LYS A 406 -3.400 20.278 8.000 1.00 38.28 C ATOM 117 C LYS A 406 -2.259 19.672 8.808 1.00 37.77 C ATOM 118 O LYS A 406 -1.253 19.241 8.240 1.00 34.98 O ATOM 119 CB LYS A 406 -4.347 19.142 7.551 1.00 40.66 C ATOM 120 CG LYS A 406 -5.747 19.568 7.177 1.00 61.30 C ATOM 121 CD LYS A 406 -6.795 18.702 7.881 1.00 74.40 C ATOM 122 CE LYS A 406 -8.047 19.478 8.260 1.00 83.42 C ATOM 123 NZ LYS A 406 -7.794 20.450 9.363 1.00 87.44 N ATOM 124 HZ1 LYS A 406 -7.463 19.938 10.205 1.00 0.00 H ATOM 125 HZ2 LYS A 406 -7.069 21.132 9.063 1.00 0.00 H ATOM 126 HZ3 LYS A 406 -8.675 20.955 9.587 1.00 0.00 H ATOM 127 H LYS A 406 -2.145 20.675 6.280 1.00 0.00 H ATOM 128 N GLU A 407 -2.454 19.594 10.136 1.00 33.27 N ATOM 129 CA GLU A 407 -1.523 18.935 11.050 1.00 31.78 C ATOM 130 C GLU A 407 -1.858 17.433 11.019 1.00 32.16 C ATOM 131 O GLU A 407 -3.029 17.064 11.157 1.00 32.17 O ATOM 132 CB GLU A 407 -1.665 19.456 12.498 1.00 33.70 C ATOM 133 CG GLU A 407 -1.290 20.907 12.744 1.00 48.20 C ATOM 134 CD GLU A 407 0.009 21.420 12.150 1.00 73.42 C ATOM 135 OE1 GLU A 407 1.104 21.092 12.667 1.00 65.11 O ATOM 136 OE2 GLU A 407 -0.081 22.178 11.158 1.00 70.05 O ATOM 137 H GLU A 407 -3.313 20.025 10.534 1.00 0.00 H ATOM 138 N LEU A 408 -0.861 16.568 10.831 1.00 24.67 N ATOM 139 CA LEU A 408 -1.117 15.124 10.849 1.00 21.90 C ATOM 140 C LEU A 408 -0.552 14.496 12.147 1.00 25.93 C ATOM 141 O LEU A 408 -0.579 13.279 12.305 1.00 23.08 O ATOM 142 CB LEU A 408 -0.532 14.416 9.603 1.00 20.45 C ATOM 143 CG LEU A 408 -0.880 14.930 8.205 1.00 24.53 C ATOM 144 CD1 LEU A 408 -0.109 14.175 7.147 1.00 23.55 C ATOM 145 CD2 LEU A 408 -2.359 14.840 7.918 1.00 27.70 C ATOM 146 H LEU A 408 0.105 16.920 10.671 1.00 0.00 H ATOM 147 N GLY A 409 -0.040 15.334 13.050 1.00 25.07 N ATOM 148 CA GLY A 409 0.562 14.877 14.300 1.00 25.96 C ATOM 149 C GLY A 409 2.049 14.552 14.201 1.00 30.97 C ATOM 150 O GLY A 409 2.731 15.065 13.304 1.00 30.87 O ATOM 151 H GLY A 409 -0.071 16.355 12.856 1.00 0.00 H ATOM 152 N THR A 410 2.577 13.686 15.109 1.00 26.50 N ATOM 153 CA THR A 410 4.000 13.325 15.116 1.00 25.73 C ATOM 154 C THR A 410 4.276 11.817 15.056 1.00 29.16 C ATOM 155 O THR A 410 3.537 11.013 15.621 1.00 27.28 O ATOM 156 CB THR A 410 4.788 13.956 16.285 1.00 32.87 C ATOM 157 OG1 THR A 410 4.347 13.430 17.540 1.00 28.00 O ATOM 158 CG2 THR A 410 4.767 15.478 16.271 1.00 34.39 C ATOM 159 HG1 THR A 410 4.487 12.450 17.553 1.00 0.00 H ATOM 160 H THR A 410 1.950 13.265 15.824 1.00 0.00 H ATOM 161 N GLY A 411 5.376 11.485 14.379 1.00 26.55 N ATOM 162 CA GLY A 411 5.881 10.142 14.171 1.00 26.24 C ATOM 163 C GLY A 411 7.384 10.147 14.314 1.00 32.69 C ATOM 164 O GLY A 411 7.931 11.078 14.914 1.00 31.73 O ATOM 165 H GLY A 411 5.924 12.264 13.960 1.00 0.00 H ATOM 166 N GLN A 412 8.067 9.106 13.755 1.00 31.43 N ATOM 167 CA GLN A 412 9.534 8.963 13.798 1.00 31.69 C ATOM 168 C GLN A 412 10.201 10.181 13.165 1.00 36.84 C ATOM 169 O GLN A 412 9.894 10.540 12.028 1.00 36.23 O ATOM 170 CB GLN A 412 10.004 7.648 13.128 1.00 32.63 C ATOM 171 CG GLN A 412 11.228 7.009 13.818 1.00 46.21 C ATOM 172 CD GLN A 412 11.731 5.726 13.176 1.00 60.15 C ATOM 173 OE1 GLN A 412 11.808 4.672 13.822 1.00 47.34 O ATOM 174 NE2 GLN A 412 12.120 5.789 11.897 1.00 56.32 N ATOM 175 HE22 GLN A 412 12.046 6.685 11.375 1.00 0.00 H ATOM 176 HE21 GLN A 412 12.496 4.942 11.426 1.00 0.00 H ATOM 177 H GLN A 412 7.519 8.368 13.269 1.00 0.00 H ATOM 178 N PHE A 413 11.063 10.856 13.943 1.00 34.91 N ATOM 179 CA PHE A 413 11.801 12.067 13.577 1.00 34.62 C ATOM 180 C PHE A 413 10.978 13.362 13.705 1.00 36.98 C ATOM 181 O PHE A 413 11.495 14.430 13.414 1.00 36.50 O ATOM 182 CB PHE A 413 12.454 11.973 12.190 1.00 36.72 C ATOM 183 CG PHE A 413 13.306 10.766 11.900 1.00 38.54 C ATOM 184 CD1 PHE A 413 14.584 10.652 12.432 1.00 42.71 C ATOM 185 CD2 PHE A 413 12.882 9.800 10.999 1.00 41.37 C ATOM 186 CE1 PHE A 413 15.390 9.557 12.128 1.00 43.52 C ATOM 187 CE2 PHE A 413 13.689 8.702 10.696 1.00 44.58 C ATOM 188 CZ PHE A 413 14.946 8.603 11.245 1.00 42.91 C ATOM 189 H PHE A 413 11.222 10.482 14.900 1.00 0.00 H ATOM 190 N GLY A 414 9.723 13.278 14.127 1.00 34.25 N ATOM 191 CA GLY A 414 8.952 14.487 14.410 1.00 34.92 C ATOM 192 C GLY A 414 7.660 14.807 13.696 1.00 37.83 C ATOM 193 O GLY A 414 6.888 13.910 13.341 1.00 37.65 O ATOM 194 H GLY A 414 9.284 12.344 14.258 1.00 0.00 H ATOM 195 N VAL A 415 7.416 16.136 13.547 1.00 32.57 N ATOM 196 CA VAL A 415 6.227 16.773 12.966 1.00 31.64 C ATOM 197 C VAL A 415 5.996 16.363 11.511 1.00 33.27 C ATOM 198 O VAL A 415 6.928 16.382 10.702 1.00 32.79 O ATOM 199 CB VAL A 415 6.262 18.325 13.155 1.00 35.86 C ATOM 200 CG1 VAL A 415 5.303 19.059 12.213 1.00 35.82 C ATOM 201 CG2 VAL A 415 5.976 18.703 14.605 1.00 36.14 C ATOM 202 H VAL A 415 8.161 16.779 13.885 1.00 0.00 H ATOM 203 N VAL A 416 4.735 15.971 11.206 1.00 27.63 N ATOM 204 CA VAL A 416 4.251 15.615 9.867 1.00 25.34 C ATOM 205 C VAL A 416 3.042 16.515 9.541 1.00 25.83 C ATOM 206 O VAL A 416 2.201 16.748 10.407 1.00 24.66 O ATOM 207 CB VAL A 416 3.959 14.091 9.687 1.00 28.07 C ATOM 208 CG1 VAL A 416 3.788 13.727 8.210 1.00 27.21 C ATOM 209 CG2 VAL A 416 5.062 13.236 10.316 1.00 27.50 C ATOM 210 H VAL A 416 4.052 15.918 11.988 1.00 0.00 H ATOM 211 N LYS A 417 2.978 17.036 8.303 1.00 21.29 N ATOM 212 CA LYS A 417 1.899 17.920 7.828 1.00 21.51 C ATOM 213 C LYS A 417 1.349 17.530 6.443 1.00 26.61 C ATOM 214 O LYS A 417 2.073 16.960 5.627 1.00 24.45 O ATOM 215 CB LYS A 417 2.394 19.382 7.782 1.00 23.27 C ATOM 216 CG LYS A 417 2.404 20.073 9.129 1.00 28.82 C ATOM 217 CD LYS A 417 3.099 21.406 9.060 1.00 36.47 C ATOM 218 CE LYS A 417 3.188 22.051 10.413 1.00 42.57 C ATOM 219 NZ LYS A 417 4.131 23.197 10.431 1.00 40.12 N ATOM 220 HZ1 LYS A 417 5.081 22.866 10.168 1.00 0.00 H ATOM 221 HZ2 LYS A 417 3.813 23.917 9.751 1.00 0.00 H ATOM 222 HZ3 LYS A 417 4.157 23.608 11.386 1.00 0.00 H ATOM 223 H LYS A 417 3.741 16.799 7.637 1.00 0.00 H ATOM 224 N TYR A 418 0.069 17.864 6.176 1.00 26.25 N ATOM 225 CA TYR A 418 -0.547 17.654 4.862 1.00 27.11 C ATOM 226 C TYR A 418 -0.521 18.981 4.118 1.00 31.04 C ATOM 227 O TYR A 418 -0.684 20.031 4.746 1.00 33.07 O ATOM 228 CB TYR A 418 -1.985 17.103 4.960 1.00 29.39 C ATOM 229 CG TYR A 418 -2.822 17.335 3.713 1.00 33.01 C ATOM 230 CD1 TYR A 418 -2.533 16.672 2.515 1.00 34.92 C ATOM 231 CD2 TYR A 418 -3.897 18.223 3.726 1.00 34.40 C ATOM 232 CE1 TYR A 418 -3.272 16.916 1.356 1.00 35.93 C ATOM 233 CE2 TYR A 418 -4.643 18.471 2.572 1.00 35.69 C ATOM 234 CZ TYR A 418 -4.325 17.818 1.391 1.00 42.31 C ATOM 235 OH TYR A 418 -5.058 18.073 0.261 1.00 45.62 O ATOM 236 HH TYR A 418 -4.706 17.531 -0.489 1.00 0.00 H ATOM 237 H TYR A 418 -0.504 18.288 6.933 1.00 0.00 H ATOM 238 N GLY A 419 -0.289 18.927 2.803 1.00 24.81 N ATOM 239 CA GLY A 419 -0.255 20.104 1.942 1.00 23.96 C ATOM 240 C GLY A 419 -0.274 19.774 0.466 1.00 26.07 C ATOM 241 O GLY A 419 -0.463 18.611 0.082 1.00 22.44 O ATOM 242 H GLY A 419 -0.124 17.996 2.370 1.00 0.00 H ATOM 243 N LYS A 420 -0.051 20.803 -0.375 1.00 24.86 N ATOM 244 CA LYS A 420 0.014 20.675 -1.836 1.00 25.20 C ATOM 245 C LYS A 420 1.344 21.184 -2.407 1.00 33.07 C ATOM 246 O LYS A 420 1.884 22.168 -1.900 1.00 34.35 O ATOM 247 CB LYS A 420 -1.156 21.426 -2.493 1.00 26.88 C ATOM 248 CG LYS A 420 -2.374 20.564 -2.725 1.00 26.48 C ATOM 249 CD LYS A 420 -3.652 21.366 -2.731 1.00 32.43 C ATOM 250 CE LYS A 420 -4.815 20.548 -2.216 1.00 49.18 C ATOM 251 NZ LYS A 420 -5.206 19.444 -3.141 1.00 62.85 N ATOM 252 HZ1 LYS A 420 -5.483 19.845 -4.060 1.00 0.00 H ATOM 253 HZ2 LYS A 420 -4.399 18.801 -3.271 1.00 0.00 H ATOM 254 HZ3 LYS A 420 -6.007 18.920 -2.734 1.00 0.00 H ATOM 255 H LYS A 420 0.084 21.748 0.037 1.00 0.00 H ATOM 256 N TRP A 421 1.862 20.542 -3.471 1.00 31.16 N ATOM 257 CA TRP A 421 3.071 21.010 -4.167 1.00 32.53 C ATOM 258 C TRP A 421 2.552 21.725 -5.406 1.00 38.09 C ATOM 259 O TRP A 421 1.906 21.096 -6.244 1.00 37.12 O ATOM 260 CB TRP A 421 4.016 19.844 -4.533 1.00 31.61 C ATOM 261 CG TRP A 421 5.229 20.198 -5.356 1.00 34.11 C ATOM 262 CD1 TRP A 421 6.483 20.460 -4.888 1.00 37.18 C ATOM 263 CD2 TRP A 421 5.329 20.209 -6.794 1.00 35.15 C ATOM 264 NE1 TRP A 421 7.346 20.702 -5.940 1.00 37.67 N ATOM 265 CE2 TRP A 421 6.668 20.529 -7.121 1.00 39.86 C ATOM 266 CE3 TRP A 421 4.413 19.986 -7.844 1.00 37.13 C ATOM 267 CZ2 TRP A 421 7.114 20.632 -8.450 1.00 39.95 C ATOM 268 CZ3 TRP A 421 4.850 20.114 -9.159 1.00 39.35 C ATOM 269 CH2 TRP A 421 6.186 20.421 -9.452 1.00 40.11 C ATOM 270 HE1 TRP A 421 8.347 20.971 -5.851 1.00 0.00 H ATOM 271 H TRP A 421 1.389 19.682 -3.814 1.00 0.00 H ATOM 272 N ARG A 422 2.761 23.062 -5.470 1.00 37.44 N ATOM 273 CA ARG A 422 2.328 23.978 -6.530 1.00 39.29 C ATOM 274 C ARG A 422 0.796 23.904 -6.792 1.00 47.19 C ATOM 275 O ARG A 422 0.344 23.947 -7.946 1.00 48.39 O ATOM 276 CB ARG A 422 3.164 23.783 -7.805 1.00 38.97 C ATOM 277 CG ARG A 422 4.519 24.465 -7.726 1.00 48.89 C ATOM 278 CD ARG A 422 5.047 24.880 -9.089 1.00 57.91 C ATOM 279 NE ARG A 422 4.371 26.071 -9.611 1.00 63.80 N ATOM 280 CZ ARG A 422 4.721 26.699 -10.728 1.00 77.05 C ATOM 281 NH1 ARG A 422 4.048 27.766 -11.136 1.00 64.00 N ATOM 282 NH2 ARG A 422 5.751 26.267 -11.445 1.00 64.00 N ATOM 283 HE ARG A 422 3.566 26.449 -9.072 1.00 0.00 H ATOM 284 HH12 ARG A 422 4.327 28.253 -12.011 1.00 0.00 H ATOM 285 HH11 ARG A 422 3.241 28.116 -10.581 1.00 0.00 H ATOM 286 HH22 ARG A 422 6.021 26.762 -12.319 1.00 0.00 H ATOM 287 HH21 ARG A 422 6.288 25.433 -11.133 1.00 0.00 H ATOM 288 H ARG A 422 3.287 23.486 -4.679 1.00 0.00 H ATOM 289 N GLY A 423 0.027 23.765 -5.705 1.00 44.87 N ATOM 290 CA GLY A 423 -1.431 23.659 -5.715 1.00 45.53 C ATOM 291 C GLY A 423 -1.984 22.388 -6.330 1.00 51.04 C ATOM 292 O GLY A 423 -3.114 21.994 -6.020 1.00 51.93 O ATOM 293 H GLY A 423 0.504 23.730 -4.782 1.00 0.00 H ATOM 294 N GLN A 424 -1.202 21.730 -7.206 1.00 46.96 N ATOM 295 CA GLN A 424 -1.635 20.526 -7.906 1.00 46.10 C ATOM 296 C GLN A 424 -1.734 19.305 -7.012 1.00 48.59 C ATOM 297 O GLN A 424 -2.855 18.951 -6.642 1.00 49.54 O ATOM 298 CB GLN A 424 -0.769 20.243 -9.148 1.00 47.71 C ATOM 299 CG GLN A 424 -1.254 20.992 -10.392 1.00 64.81 C ATOM 300 CD GLN A 424 -0.149 21.277 -11.383 1.00 85.10 C ATOM 301 OE1 GLN A 424 0.455 22.360 -11.392 1.00 79.07 O ATOM 302 NE2 GLN A 424 0.134 20.316 -12.250 1.00 80.10 N ATOM 303 HE22 GLN A 424 -0.389 19.417 -12.219 1.00 0.00 H ATOM 304 HE21 GLN A 424 0.879 20.460 -12.961 1.00 0.00 H ATOM 305 H GLN A 424 -0.247 22.096 -7.392 1.00 0.00 H ATOM 306 N TYR A 425 -0.574 18.698 -6.632 1.00 42.11 N ATOM 307 CA TYR A 425 -0.436 17.422 -5.912 1.00 39.60 C ATOM 308 C TYR A 425 -0.509 17.440 -4.384 1.00 38.83 C ATOM 309 O TYR A 425 0.091 18.287 -3.733 1.00 37.73 O ATOM 310 CB TYR A 425 0.875 16.719 -6.323 1.00 40.98 C ATOM 311 CG TYR A 425 1.115 16.670 -7.821 1.00 44.82 C ATOM 312 CD1 TYR A 425 0.119 16.231 -8.696 1.00 47.39 C ATOM 313 CD2 TYR A 425 2.339 17.052 -8.364 1.00 46.01 C ATOM 314 CE1 TYR A 425 0.329 16.197 -10.074 1.00 48.42 C ATOM 315 CE2 TYR A 425 2.566 17.001 -9.738 1.00 47.71 C ATOM 316 CZ TYR A 425 1.557 16.574 -10.588 1.00 54.66 C ATOM 317 OH TYR A 425 1.772 16.525 -11.939 1.00 56.72 O ATOM 318 HH TYR A 425 0.953 16.200 -12.391 1.00 0.00 H ATOM 319 H TYR A 425 0.309 19.190 -6.877 1.00 0.00 H ATOM 320 N ASP A 426 -1.187 16.408 -3.830 1.00 33.48 N ATOM 321 CA ASP A 426 -1.354 16.142 -2.401 1.00 31.57 C ATOM 322 C ASP A 426 -0.098 15.455 -1.916 1.00 35.20 C ATOM 323 O ASP A 426 0.300 14.404 -2.447 1.00 34.53 O ATOM 324 CB ASP A 426 -2.572 15.253 -2.127 1.00 32.33 C ATOM 325 CG ASP A 426 -3.911 15.955 -2.066 1.00 41.96 C ATOM 326 OD1 ASP A 426 -3.931 17.207 -2.095 1.00 40.97 O ATOM 327 OD2 ASP A 426 -4.941 15.252 -1.979 1.00 52.45 O ATOM 328 H ASP A 426 -1.634 15.736 -4.486 1.00 0.00 H ATOM 329 N VAL A 427 0.565 16.093 -0.942 1.00 31.24 N ATOM 330 CA VAL A 427 1.825 15.618 -0.388 1.00 29.90 C ATOM 331 C VAL A 427 1.786 15.601 1.127 1.00 32.85 C ATOM 332 O VAL A 427 1.025 16.347 1.747 1.00 32.61 O ATOM 333 CB VAL A 427 3.076 16.407 -0.918 1.00 34.23 C ATOM 334 CG1 VAL A 427 3.183 16.355 -2.436 1.00 34.81 C ATOM 335 CG2 VAL A 427 3.101 17.856 -0.428 1.00 34.45 C ATOM 336 H VAL A 427 0.159 16.972 -0.562 1.00 0.00 H ATOM 337 N ALA A 428 2.631 14.747 1.713 1.00 28.27 N ATOM 338 CA ALA A 428 2.862 14.667 3.144 1.00 26.82 C ATOM 339 C ALA A 428 4.270 15.254 3.356 1.00 30.38 C ATOM 340 O ALA A 428 5.172 15.017 2.548 1.00 30.07 O ATOM 341 CB ALA A 428 2.794 13.232 3.624 1.00 26.08 C ATOM 342 H ALA A 428 3.160 14.094 1.101 1.00 0.00 H ATOM 343 N ILE A 429 4.424 16.100 4.379 1.00 25.04 N ATOM 344 CA ILE A 429 5.683 16.749 4.670 1.00 23.29 C ATOM 345 C ILE A 429 6.139 16.317 6.052 1.00 26.98 C ATOM 346 O ILE A 429 5.486 16.644 7.042 1.00 26.36 O ATOM 347 CB ILE A 429 5.547 18.296 4.545 1.00 26.21 C ATOM 348 CG1 ILE A 429 5.124 18.727 3.124 1.00 26.44 C ATOM 349 CG2 ILE A 429 6.820 18.992 4.973 1.00 25.63 C ATOM 350 CD1 ILE A 429 3.721 19.216 3.012 1.00 25.01 C ATOM 351 H ILE A 429 3.606 16.299 4.990 1.00 0.00 H ATOM 352 N LYS A 430 7.230 15.557 6.121 1.00 23.44 N ATOM 353 CA LYS A 430 7.818 15.179 7.402 1.00 22.92 C ATOM 354 C LYS A 430 8.948 16.169 7.641 1.00 24.56 C ATOM 355 O LYS A 430 9.758 16.409 6.739 1.00 22.54 O ATOM 356 CB LYS A 430 8.358 13.724 7.414 1.00 25.57 C ATOM 357 CG LYS A 430 8.620 13.186 8.842 1.00 33.15 C ATOM 358 CD LYS A 430 9.417 11.879 8.907 1.00 25.78 C ATOM 359 CE LYS A 430 8.523 10.681 9.058 1.00 24.28 C ATOM 360 NZ LYS A 430 9.297 9.436 9.366 1.00 23.74 N ATOM 361 HZ1 LYS A 430 9.967 9.246 8.594 1.00 0.00 H ATOM 362 HZ2 LYS A 430 9.820 9.565 10.256 1.00 0.00 H ATOM 363 HZ3 LYS A 430 8.640 8.636 9.462 1.00 0.00 H ATOM 364 H LYS A 430 7.674 15.225 5.241 1.00 0.00 H ATOM 365 N MET A 431 8.969 16.781 8.827 1.00 20.49 N ATOM 366 CA MET A 431 10.016 17.724 9.177 1.00 20.14 C ATOM 367 C MET A 431 10.878 17.027 10.204 1.00 23.57 C ATOM 368 O MET A 431 10.346 16.498 11.189 1.00 22.92 O ATOM 369 CB MET A 431 9.424 19.038 9.653 1.00 23.43 C ATOM 370 CG MET A 431 8.691 19.762 8.567 1.00 27.95 C ATOM 371 SD MET A 431 7.487 20.890 9.246 1.00 33.97 S ATOM 372 CE MET A 431 7.065 21.829 7.811 1.00 31.72 C ATOM 373 H MET A 431 8.218 16.578 9.517 1.00 0.00 H ATOM 374 N ILE A 432 12.190 16.891 9.886 1.00 19.39 N ATOM 375 CA ILE A 432 13.140 16.123 10.683 1.00 19.05 C ATOM 376 C ILE A 432 13.694 16.893 11.864 1.00 24.37 C ATOM 377 O ILE A 432 14.477 17.839 11.696 1.00 24.46 O ATOM 378 CB ILE A 432 14.283 15.513 9.818 1.00 22.35 C ATOM 379 CG1 ILE A 432 13.736 14.631 8.661 1.00 23.28 C ATOM 380 CG2 ILE A 432 15.340 14.762 10.679 1.00 21.81 C ATOM 381 CD1 ILE A 432 12.918 13.409 9.082 1.00 33.02 C ATOM 382 H ILE A 432 12.538 17.361 9.026 1.00 0.00 H ATOM 383 N ARG A 433 13.324 16.434 13.071 1.00 21.27 N ATOM 384 CA ARG A 433 13.801 16.987 14.333 1.00 21.03 C ATOM 385 C ARG A 433 15.329 16.829 14.365 1.00 23.78 C ATOM 386 O ARG A 433 15.875 15.758 14.046 1.00 20.74 O ATOM 387 CB ARG A 433 13.128 16.299 15.536 1.00 18.14 C ATOM 388 CG ARG A 433 13.278 17.068 16.843 1.00 19.91 C ATOM 389 CD ARG A 433 12.694 16.333 18.028 1.00 24.24 C ATOM 390 NE ARG A 433 13.657 15.379 18.574 1.00 40.00 N ATOM 391 CZ ARG A 433 13.669 14.076 18.305 1.00 49.46 C ATOM 392 NH1 ARG A 433 12.743 13.545 17.510 1.00 27.72 N ATOM 393 NH2 ARG A 433 14.600 13.292 18.837 1.00 35.27 N ATOM 394 HE ARG A 433 14.386 15.745 19.220 1.00 0.00 H ATOM 395 HH12 ARG A 433 12.757 12.526 17.303 1.00 0.00 H ATOM 396 HH11 ARG A 433 12.005 14.149 17.095 1.00 0.00 H ATOM 397 HH22 ARG A 433 14.606 12.274 18.624 1.00 0.00 H ATOM 398 HH21 ARG A 433 15.323 13.696 19.466 1.00 0.00 H ATOM 399 H ARG A 433 12.657 15.637 13.108 1.00 0.00 H ATOM 400 N GLU A 434 16.006 17.947 14.646 1.00 21.22 N ATOM 401 CA GLU A 434 17.462 18.005 14.682 1.00 20.14 C ATOM 402 C GLU A 434 18.035 17.129 15.791 1.00 22.91 C ATOM 403 O GLU A 434 17.429 17.032 16.857 1.00 20.93 O ATOM 404 CB GLU A 434 17.969 19.457 14.741 1.00 21.46 C ATOM 405 CG GLU A 434 17.483 20.334 13.598 1.00 19.98 C ATOM 406 CD GLU A 434 18.454 21.424 13.231 1.00 26.95 C ATOM 407 OE1 GLU A 434 19.200 21.231 12.247 1.00 22.56 O ATOM 408 OE2 GLU A 434 18.548 22.417 13.986 1.00 16.88 O ATOM 409 H GLU A 434 15.469 18.815 14.848 1.00 0.00 H ATOM 410 N GLY A 435 19.149 16.448 15.478 1.00 20.09 N ATOM 411 CA GLY A 435 19.831 15.505 16.353 1.00 19.97 C ATOM 412 C GLY A 435 19.240 14.105 16.347 1.00 26.09 C ATOM 413 O GLY A 435 19.896 13.173 16.808 1.00 27.51 O ATOM 414 H GLY A 435 19.558 16.607 14.535 1.00 0.00 H ATOM 415 N SER A 436 18.010 13.925 15.809 1.00 21.94 N ATOM 416 CA SER A 436 17.336 12.619 15.764 1.00 21.08 C ATOM 417 C SER A 436 17.783 11.709 14.614 1.00 24.58 C ATOM 418 O SER A 436 17.409 10.516 14.581 1.00 22.24 O ATOM 419 CB SER A 436 15.810 12.797 15.738 1.00 22.76 C ATOM 420 OG SER A 436 15.258 13.186 14.488 1.00 24.09 O ATOM 421 HG SER A 436 15.645 14.055 14.214 1.00 0.00 H ATOM 422 H SER A 436 17.519 14.750 15.409 1.00 0.00 H ATOM 423 N MET A 437 18.601 12.259 13.695 1.00 23.05 N ATOM 424 CA MET A 437 18.976 11.551 12.483 1.00 24.41 C ATOM 425 C MET A 437 20.398 11.748 12.011 1.00 29.73 C ATOM 426 O MET A 437 20.960 12.822 12.218 1.00 31.40 O ATOM 427 CB MET A 437 18.029 12.033 11.360 1.00 27.42 C ATOM 428 CG MET A 437 17.827 11.045 10.257 1.00 31.47 C ATOM 429 SD MET A 437 17.254 11.851 8.770 1.00 36.31 S ATOM 430 CE MET A 437 15.875 10.857 8.425 1.00 32.64 C ATOM 431 H MET A 437 18.974 13.216 13.858 1.00 0.00 H ATOM 432 N SER A 438 20.953 10.733 11.295 1.00 25.24 N ATOM 433 CA SER A 438 22.252 10.828 10.618 1.00 24.59 C ATOM 434 C SER A 438 21.851 11.341 9.230 1.00 24.05 C ATOM 435 O SER A 438 21.384 10.564 8.386 1.00 21.47 O ATOM 436 CB SER A 438 22.920 9.462 10.535 1.00 29.74 C ATOM 437 OG SER A 438 24.146 9.542 9.822 1.00 42.48 O ATOM 438 HG SER A 438 24.562 8.644 9.781 1.00 0.00 H ATOM 439 H SER A 438 20.427 9.839 11.223 1.00 0.00 H ATOM 440 N GLU A 439 21.897 12.686 9.066 1.00 20.25 N ATOM 441 CA GLU A 439 21.375 13.388 7.892 1.00 20.21 C ATOM 442 C GLU A 439 22.115 13.072 6.602 1.00 26.77 C ATOM 443 O GLU A 439 21.468 12.589 5.670 1.00 25.41 O ATOM 444 CB GLU A 439 21.233 14.900 8.125 1.00 21.40 C ATOM 445 CG GLU A 439 19.817 15.273 8.581 1.00 25.36 C ATOM 446 CD GLU A 439 19.614 16.588 9.313 1.00 40.38 C ATOM 447 OE1 GLU A 439 19.919 17.646 8.719 1.00 44.53 O ATOM 448 OE2 GLU A 439 19.108 16.564 10.462 1.00 20.77 O ATOM 449 H GLU A 439 22.330 13.255 9.821 1.00 0.00 H ATOM 450 N ASP A 440 23.452 13.278 6.551 1.00 26.18 N ATOM 451 CA ASP A 440 24.270 12.988 5.365 1.00 26.55 C ATOM 452 C ASP A 440 24.063 11.555 4.843 1.00 30.73 C ATOM 453 O ASP A 440 23.825 11.373 3.650 1.00 32.18 O ATOM 454 CB ASP A 440 25.747 13.274 5.641 1.00 29.23 C ATOM 455 CG ASP A 440 26.041 14.704 6.049 1.00 44.14 C ATOM 456 OD1 ASP A 440 25.604 15.629 5.332 1.00 45.05 O ATOM 457 OD2 ASP A 440 26.721 14.897 7.072 1.00 53.92 O ATOM 458 H ASP A 440 23.925 13.661 7.394 1.00 0.00 H ATOM 459 N GLU A 441 24.088 10.559 5.745 1.00 24.59 N ATOM 460 CA GLU A 441 23.852 9.153 5.426 1.00 23.72 C ATOM 461 C GLU A 441 22.442 8.937 4.867 1.00 27.29 C ATOM 462 O GLU A 441 22.266 8.129 3.950 1.00 28.58 O ATOM 463 CB GLU A 441 24.021 8.297 6.687 1.00 24.76 C ATOM 464 CG GLU A 441 25.462 8.006 7.051 1.00 31.34 C ATOM 465 CD GLU A 441 25.631 7.056 8.215 1.00 43.73 C ATOM 466 OE1 GLU A 441 24.644 6.380 8.592 1.00 29.33 O ATOM 467 OE2 GLU A 441 26.760 6.990 8.752 1.00 39.84 O ATOM 468 H GLU A 441 24.289 10.805 6.735 1.00 0.00 H ATOM 469 N PHE A 442 21.437 9.641 5.438 1.00 21.30 N ATOM 470 CA PHE A 442 20.052 9.551 4.996 1.00 19.33 C ATOM 471 C PHE A 442 19.865 10.127 3.581 1.00 23.77 C ATOM 472 O PHE A 442 19.409 9.406 2.693 1.00 22.29 O ATOM 473 CB PHE A 442 19.092 10.224 5.991 1.00 19.90 C ATOM 474 CG PHE A 442 17.707 10.362 5.415 1.00 20.42 C ATOM 475 CD1 PHE A 442 16.874 9.261 5.299 1.00 22.14 C ATOM 476 CD2 PHE A 442 17.262 11.575 4.933 1.00 23.37 C ATOM 477 CE1 PHE A 442 15.615 9.375 4.733 1.00 22.72 C ATOM 478 CE2 PHE A 442 16.011 11.680 4.342 1.00 26.60 C ATOM 479 CZ PHE A 442 15.195 10.575 4.249 1.00 23.39 C ATOM 480 H PHE A 442 21.664 10.276 6.230 1.00 0.00 H ATOM 481 N ILE A 443 20.213 11.431 3.379 1.00 21.34 N ATOM 482 CA ILE A 443 20.080 12.144 2.094 1.00 20.44 C ATOM 483 C ILE A 443 20.744 11.320 0.975 1.00 26.13 C ATOM 484 O ILE A 443 20.255 11.315 -0.160 1.00 26.93 O ATOM 485 CB ILE A 443 20.618 13.616 2.144 1.00 22.32 C ATOM 486 CG1 ILE A 443 20.220 14.342 3.442 1.00 21.24 C ATOM 487 CG2 ILE A 443 20.146 14.413 0.928 1.00 22.86 C ATOM 488 CD1 ILE A 443 21.194 15.463 3.877 1.00 16.87 C ATOM 489 H ILE A 443 20.599 11.959 4.187 1.00 0.00 H ATOM 490 N GLU A 444 21.846 10.607 1.317 1.00 21.82 N ATOM 491 CA GLU A 444 22.592 9.769 0.389 1.00 21.38 C ATOM 492 C GLU A 444 21.740 8.587 -0.023 1.00 30.06 C ATOM 493 O GLU A 444 21.587 8.357 -1.227 1.00 32.17 O ATOM 494 CB GLU A 444 23.943 9.328 0.981 1.00 21.79 C ATOM 495 CG GLU A 444 24.885 8.690 -0.026 1.00 29.19 C ATOM 496 CD GLU A 444 25.186 9.506 -1.269 1.00 49.86 C ATOM 497 OE1 GLU A 444 25.679 10.647 -1.125 1.00 46.45 O ATOM 498 OE2 GLU A 444 24.922 9.009 -2.388 1.00 44.40 O ATOM 499 H GLU A 444 22.178 10.662 2.301 1.00 0.00 H ATOM 500 N GLU A 445 21.139 7.867 0.964 1.00 26.10 N ATOM 501 CA GLU A 445 20.286 6.718 0.673 1.00 25.06 C ATOM 502 C GLU A 445 19.003 7.133 -0.036 1.00 28.51 C ATOM 503 O GLU A 445 18.521 6.371 -0.885 1.00 30.44 O ATOM 504 CB GLU A 445 20.002 5.883 1.935 1.00 25.59 C ATOM 505 CG GLU A 445 19.384 4.527 1.636 1.00 32.17 C ATOM 506 CD GLU A 445 20.264 3.383 1.163 1.00 48.05 C ATOM 507 OE1 GLU A 445 21.451 3.611 0.841 1.00 59.42 O ATOM 508 OE2 GLU A 445 19.753 2.242 1.115 1.00 37.02 O ATOM 509 H GLU A 445 21.292 8.144 1.955 1.00 0.00 H ATOM 510 N ALA A 446 18.497 8.365 0.261 1.00 21.64 N ATOM 511 CA ALA A 446 17.266 8.936 -0.312 1.00 19.73 C ATOM 512 C ALA A 446 17.318 9.017 -1.833 1.00 23.63 C ATOM 513 O ALA A 446 16.278 8.964 -2.466 1.00 24.40 O ATOM 514 CB ALA A 446 16.949 10.293 0.305 1.00 19.54 C ATOM 515 H ALA A 446 19.022 8.946 0.945 1.00 0.00 H ATOM 516 N LYS A 447 18.520 9.060 -2.417 1.00 20.07 N ATOM 517 CA LYS A 447 18.739 9.066 -3.868 1.00 20.92 C ATOM 518 C LYS A 447 18.370 7.682 -4.454 1.00 26.63 C ATOM 519 O LYS A 447 17.929 7.589 -5.601 1.00 27.00 O ATOM 520 CB LYS A 447 20.224 9.349 -4.180 1.00 23.45 C ATOM 521 CG LYS A 447 20.693 10.756 -3.843 1.00 38.58 C ATOM 522 CD LYS A 447 22.211 10.831 -3.677 1.00 45.44 C ATOM 523 CE LYS A 447 22.635 12.213 -3.236 1.00 47.21 C ATOM 524 NZ LYS A 447 24.060 12.259 -2.829 1.00 53.17 N ATOM 525 HZ1 LYS A 447 24.214 11.605 -2.035 1.00 0.00 H ATOM 526 HZ2 LYS A 447 24.658 11.978 -3.632 1.00 0.00 H ATOM 527 HZ3 LYS A 447 24.304 13.226 -2.535 1.00 0.00 H ATOM 528 H LYS A 447 19.357 9.091 -1.801 1.00 0.00 H ATOM 529 N VAL A 448 18.567 6.615 -3.663 1.00 23.17 N ATOM 530 CA VAL A 448 18.315 5.263 -4.126 1.00 24.25 C ATOM 531 C VAL A 448 16.897 4.831 -3.769 1.00 26.09 C ATOM 532 O VAL A 448 16.337 3.985 -4.476 1.00 26.03 O ATOM 533 CB VAL A 448 19.416 4.225 -3.713 1.00 29.17 C ATOM 534 CG1 VAL A 448 20.803 4.880 -3.589 1.00 28.58 C ATOM 535 CG2 VAL A 448 19.048 3.427 -2.454 1.00 28.48 C ATOM 536 H VAL A 448 18.910 6.762 -2.692 1.00 0.00 H ATOM 537 N MET A 449 16.317 5.436 -2.697 1.00 19.55 N ATOM 538 CA MET A 449 14.954 5.178 -2.223 1.00 16.93 C ATOM 539 C MET A 449 13.937 5.782 -3.217 1.00 22.91 C ATOM 540 O MET A 449 12.810 5.295 -3.307 1.00 24.94 O ATOM 541 CB MET A 449 14.743 5.772 -0.826 1.00 17.62 C ATOM 542 CG MET A 449 15.555 5.115 0.278 1.00 19.89 C ATOM 543 SD MET A 449 15.413 5.895 1.930 1.00 22.59 S ATOM 544 CE MET A 449 13.731 6.296 1.973 1.00 17.80 C ATOM 545 H MET A 449 16.884 6.134 -2.174 1.00 0.00 H ATOM 546 N MET A 450 14.328 6.844 -3.946 1.00 19.01 N ATOM 547 CA MET A 450 13.487 7.485 -4.964 1.00 19.92 C ATOM 548 C MET A 450 13.410 6.664 -6.250 1.00 28.87 C ATOM 549 O MET A 450 12.422 6.775 -6.968 1.00 30.08 O ATOM 550 CB MET A 450 13.937 8.918 -5.261 1.00 21.70 C ATOM 551 CG MET A 450 13.517 9.859 -4.212 1.00 23.92 C ATOM 552 SD MET A 450 13.821 11.542 -4.692 1.00 28.15 S ATOM 553 CE MET A 450 14.799 12.115 -3.204 1.00 24.15 C ATOM 554 H MET A 450 15.278 7.232 -3.779 1.00 0.00 H ATOM 555 N ASN A 451 14.440 5.832 -6.525 1.00 27.19 N ATOM 556 CA ASN A 451 14.498 4.941 -7.678 1.00 28.11 C ATOM 557 C ASN A 451 13.572 3.742 -7.441 1.00 34.63 C ATOM 558 O ASN A 451 13.194 3.056 -8.402 1.00 36.73 O ATOM 559 CB ASN A 451 15.934 4.483 -7.965 1.00 27.99 C ATOM 560 CG ASN A 451 16.943 5.602 -8.241 1.00 44.26 C ATOM 561 OD1 ASN A 451 18.101 5.565 -7.780 1.00 45.22 O ATOM 562 ND2 ASN A 451 16.555 6.614 -9.003 1.00 20.40 N ATOM 563 HD22 ASN A 451 15.587 6.637 -9.384 1.00 0.00 H ATOM 564 HD21 ASN A 451 17.218 7.385 -9.221 1.00 0.00 H ATOM 565 H ASN A 451 15.247 5.827 -5.869 1.00 0.00 H ATOM 566 N LEU A 452 13.189 3.500 -6.160 1.00 29.02 N ATOM 567 CA LEU A 452 12.252 2.444 -5.768 1.00 26.78 C ATOM 568 C LEU A 452 10.854 2.916 -6.142 1.00 31.91 C ATOM 569 O LEU A 452 10.555 4.110 -6.041 1.00 32.30 O ATOM 570 CB LEU A 452 12.318 2.148 -4.247 1.00 25.05 C ATOM 571 CG LEU A 452 13.646 1.608 -3.669 1.00 28.05 C ATOM 572 CD1 LEU A 452 13.525 1.347 -2.180 1.00 26.93 C ATOM 573 CD2 LEU A 452 14.091 0.339 -4.353 1.00 27.66 C ATOM 574 H LEU A 452 13.586 4.102 -5.411 1.00 0.00 H ATOM 575 N SER A 453 9.998 1.988 -6.590 1.00 28.80 N ATOM 576 CA SER A 453 8.629 2.287 -7.013 1.00 26.93 C ATOM 577 C SER A 453 7.768 1.037 -7.009 1.00 26.77 C ATOM 578 O SER A 453 8.086 0.070 -7.700 1.00 27.67 O ATOM 579 CB SER A 453 8.633 2.911 -8.408 1.00 30.74 C ATOM 580 OG SER A 453 7.320 3.110 -8.906 1.00 40.20 O ATOM 581 HG SER A 453 7.368 3.514 -9.808 1.00 0.00 H ATOM 582 H SER A 453 10.324 1.002 -6.640 1.00 0.00 H ATOM 583 N HIS A 454 6.678 1.063 -6.240 1.00 19.71 N ATOM 584 CA HIS A 454 5.670 -0.004 -6.185 1.00 18.68 C ATOM 585 C HIS A 454 4.379 0.594 -5.704 1.00 25.48 C ATOM 586 O HIS A 454 4.398 1.447 -4.806 1.00 28.48 O ATOM 587 CB HIS A 454 6.073 -1.182 -5.296 1.00 17.83 C ATOM 588 CG HIS A 454 5.193 -2.386 -5.467 1.00 20.98 C ATOM 589 ND1 HIS A 454 4.111 -2.616 -4.633 1.00 22.20 N ATOM 590 CD2 HIS A 454 5.261 -3.390 -6.371 1.00 22.95 C ATOM 591 CE1 HIS A 454 3.563 -3.743 -5.051 1.00 21.23 C ATOM 592 NE2 HIS A 454 4.217 -4.244 -6.097 1.00 22.25 N ATOM 593 H HIS A 454 6.532 1.898 -5.637 1.00 0.00 H ATOM 594 N GLU A 455 3.256 0.152 -6.292 1.00 19.82 N ATOM 595 CA GLU A 455 1.915 0.628 -5.962 1.00 18.78 C ATOM 596 C GLU A 455 1.548 0.504 -4.462 1.00 19.10 C ATOM 597 O GLU A 455 0.628 1.188 -4.019 1.00 18.05 O ATOM 598 CB GLU A 455 0.862 -0.058 -6.846 1.00 20.35 C ATOM 599 CG GLU A 455 -0.236 0.898 -7.261 1.00 35.94 C ATOM 600 CD GLU A 455 -1.450 0.243 -7.881 1.00 80.76 C ATOM 601 OE1 GLU A 455 -1.454 0.088 -9.123 1.00 82.69 O ATOM 602 OE2 GLU A 455 -2.399 -0.099 -7.136 1.00 85.54 O ATOM 603 H GLU A 455 3.347 -0.576 -7.029 1.00 0.00 H ATOM 604 N LYS A 456 2.273 -0.339 -3.691 1.00 12.87 N ATOM 605 CA LYS A 456 2.010 -0.549 -2.262 1.00 11.77 C ATOM 606 C LYS A 456 3.193 -0.070 -1.363 1.00 14.96 C ATOM 607 O LYS A 456 3.333 -0.492 -0.208 1.00 13.36 O ATOM 608 CB LYS A 456 1.585 -2.019 -1.964 1.00 13.76 C ATOM 609 CG LYS A 456 0.539 -2.623 -2.936 1.00 18.75 C ATOM 610 CD LYS A 456 -0.923 -2.262 -2.605 1.00 16.95 C ATOM 611 CE LYS A 456 -1.845 -2.429 -3.797 1.00 13.88 C ATOM 612 NZ LYS A 456 -2.283 -3.837 -3.973 1.00 27.14 N ATOM 613 HZ1 LYS A 456 -1.450 -4.442 -4.120 1.00 0.00 H ATOM 614 HZ2 LYS A 456 -2.793 -4.149 -3.122 1.00 0.00 H ATOM 615 HZ3 LYS A 456 -2.911 -3.903 -4.799 1.00 0.00 H ATOM 616 H LYS A 456 3.055 -0.864 -4.132 1.00 0.00 H ATOM 617 N LEU A 457 4.021 0.847 -1.903 1.00 11.55 N ATOM 618 CA LEU A 457 5.162 1.452 -1.216 1.00 10.25 C ATOM 619 C LEU A 457 4.923 2.947 -1.184 1.00 17.83 C ATOM 620 O LEU A 457 4.632 3.528 -2.241 1.00 18.92 O ATOM 621 CB LEU A 457 6.433 1.204 -2.026 1.00 10.17 C ATOM 622 CG LEU A 457 7.477 0.240 -1.488 1.00 14.01 C ATOM 623 CD1 LEU A 457 8.793 0.432 -2.241 1.00 13.32 C ATOM 624 CD2 LEU A 457 7.681 0.390 0.031 1.00 15.47 C ATOM 625 H LEU A 457 3.834 1.147 -2.881 1.00 0.00 H ATOM 626 N VAL A 458 5.053 3.589 -0.002 1.00 15.44 N ATOM 627 CA VAL A 458 4.862 5.036 0.097 1.00 16.00 C ATOM 628 C VAL A 458 5.992 5.685 -0.746 1.00 23.17 C ATOM 629 O VAL A 458 7.170 5.414 -0.514 1.00 24.07 O ATOM 630 CB VAL A 458 4.755 5.557 1.571 1.00 19.25 C ATOM 631 CG1 VAL A 458 4.441 7.046 1.612 1.00 18.98 C ATOM 632 CG2 VAL A 458 3.684 4.794 2.355 1.00 18.78 C ATOM 633 H VAL A 458 5.293 3.045 0.852 1.00 0.00 H ATOM 634 N GLN A 459 5.616 6.430 -1.796 1.00 20.68 N ATOM 635 CA GLN A 459 6.558 7.064 -2.729 1.00 21.20 C ATOM 636 C GLN A 459 7.221 8.314 -2.154 1.00 23.96 C ATOM 637 O GLN A 459 6.559 9.103 -1.479 1.00 22.19 O ATOM 638 CB GLN A 459 5.843 7.407 -4.044 1.00 23.59 C ATOM 639 CG GLN A 459 6.746 7.378 -5.267 1.00 41.20 C ATOM 640 CD GLN A 459 6.359 8.448 -6.262 1.00 71.83 C ATOM 641 OE1 GLN A 459 5.197 8.564 -6.701 1.00 66.22 O ATOM 642 NE2 GLN A 459 7.333 9.264 -6.635 1.00 72.69 N ATOM 643 HE22 GLN A 459 8.291 9.140 -6.250 1.00 0.00 H ATOM 644 HE21 GLN A 459 7.140 10.029 -7.313 1.00 0.00 H ATOM 645 H GLN A 459 4.598 6.567 -1.960 1.00 0.00 H ATOM 646 N LEU A 460 8.519 8.506 -2.474 1.00 21.80 N ATOM 647 CA LEU A 460 9.355 9.641 -2.061 1.00 21.96 C ATOM 648 C LEU A 460 9.358 10.687 -3.173 1.00 28.03 C ATOM 649 O LEU A 460 10.034 10.491 -4.184 1.00 29.76 O ATOM 650 CB LEU A 460 10.815 9.171 -1.808 1.00 21.36 C ATOM 651 CG LEU A 460 11.487 9.413 -0.435 1.00 24.78 C ATOM 652 CD1 LEU A 460 12.965 9.252 -0.541 1.00 23.83 C ATOM 653 CD2 LEU A 460 11.213 10.789 0.099 1.00 28.77 C ATOM 654 H LEU A 460 8.969 7.782 -3.069 1.00 0.00 H ATOM 655 N TYR A 461 8.608 11.792 -2.998 1.00 23.32 N ATOM 656 CA TYR A 461 8.574 12.874 -3.985 1.00 23.14 C ATOM 657 C TYR A 461 9.868 13.718 -4.029 1.00 28.06 C ATOM 658 O TYR A 461 10.132 14.371 -5.029 1.00 30.09 O ATOM 659 CB TYR A 461 7.337 13.764 -3.807 1.00 23.93 C ATOM 660 CG TYR A 461 6.004 13.072 -4.039 1.00 25.67 C ATOM 661 CD1 TYR A 461 5.933 11.838 -4.686 1.00 27.68 C ATOM 662 CD2 TYR A 461 4.809 13.668 -3.645 1.00 26.12 C ATOM 663 CE1 TYR A 461 4.713 11.188 -4.872 1.00 28.32 C ATOM 664 CE2 TYR A 461 3.582 13.037 -3.847 1.00 26.92 C ATOM 665 CZ TYR A 461 3.541 11.798 -4.463 1.00 34.86 C ATOM 666 OH TYR A 461 2.344 11.167 -4.669 1.00 38.24 O ATOM 667 HH TYR A 461 2.503 10.299 -5.118 1.00 0.00 H ATOM 668 H TYR A 461 8.035 11.880 -2.135 1.00 0.00 H ATOM 669 N GLY A 462 10.669 13.668 -2.969 1.00 24.00 N ATOM 670 CA GLY A 462 11.925 14.405 -2.856 1.00 24.02 C ATOM 671 C GLY A 462 12.220 14.895 -1.450 1.00 27.25 C ATOM 672 O GLY A 462 11.561 14.475 -0.501 1.00 25.10 O ATOM 673 H GLY A 462 10.383 13.066 -2.170 1.00 0.00 H ATOM 674 N VAL A 463 13.211 15.808 -1.309 1.00 25.05 N ATOM 675 CA VAL A 463 13.646 16.382 -0.024 1.00 24.59 C ATOM 676 C VAL A 463 13.850 17.891 -0.129 1.00 29.77 C ATOM 677 O VAL A 463 13.947 18.406 -1.241 1.00 31.23 O ATOM 678 CB VAL A 463 14.944 15.714 0.522 1.00 28.03 C ATOM 679 CG1 VAL A 463 14.699 14.305 1.061 1.00 26.19 C ATOM 680 CG2 VAL A 463 16.088 15.752 -0.504 1.00 28.32 C ATOM 681 H VAL A 463 13.700 16.127 -2.170 1.00 0.00 H ATOM 682 N CYS A 464 13.965 18.586 1.032 1.00 25.52 N ATOM 683 CA CYS A 464 14.252 20.022 1.146 1.00 26.04 C ATOM 684 C CYS A 464 15.447 20.151 2.133 1.00 30.95 C ATOM 685 O CYS A 464 15.268 20.649 3.252 1.00 29.82 O ATOM 686 CB CYS A 464 13.025 20.779 1.659 1.00 26.81 C ATOM 687 SG CYS A 464 11.514 20.540 0.686 1.00 30.88 S ATOM 688 H CYS A 464 13.839 18.055 1.917 1.00 0.00 H ATOM 689 N THR A 465 16.662 19.658 1.737 1.00 28.72 N ATOM 690 CA THR A 465 17.834 19.634 2.624 1.00 28.01 C ATOM 691 C THR A 465 18.690 20.864 2.508 1.00 34.22 C ATOM 692 O THR A 465 19.885 20.814 2.811 1.00 35.42 O ATOM 693 CB THR A 465 18.666 18.354 2.515 1.00 39.79 C ATOM 694 OG1 THR A 465 19.539 18.410 1.388 1.00 47.62 O ATOM 695 CG2 THR A 465 17.818 17.089 2.515 1.00 37.94 C ATOM 696 HG1 THR A 465 19.003 18.514 0.562 1.00 0.00 H ATOM 697 H THR A 465 16.759 19.286 0.771 1.00 0.00 H ATOM 698 N LYS A 466 18.067 21.993 2.169 1.00 31.19 N ATOM 699 CA LYS A 466 18.761 23.264 2.096 1.00 30.98 C ATOM 700 C LYS A 466 18.392 24.134 3.301 1.00 36.61 C ATOM 701 O LYS A 466 18.824 25.290 3.378 1.00 39.15 O ATOM 702 CB LYS A 466 18.486 23.963 0.749 1.00 32.64 C ATOM 703 CG LYS A 466 19.104 23.250 -0.459 1.00 38.00 C ATOM 704 CD LYS A 466 20.623 23.436 -0.596 1.00 43.20 C ATOM 705 CE LYS A 466 21.313 22.235 -1.221 1.00 45.52 C ATOM 706 NZ LYS A 466 21.645 21.175 -0.226 1.00 46.49 N ATOM 707 HZ1 LYS A 466 22.282 21.567 0.497 1.00 0.00 H ATOM 708 HZ2 LYS A 466 20.771 20.839 0.226 1.00 0.00 H ATOM 709 HZ3 LYS A 466 22.113 20.382 -0.709 1.00 0.00 H ATOM 710 H LYS A 466 17.051 21.961 1.950 1.00 0.00 H ATOM 711 N GLN A 467 17.632 23.576 4.271 1.00 30.92 N ATOM 712 CA GLN A 467 17.199 24.355 5.442 1.00 30.58 C ATOM 713 C GLN A 467 17.439 23.678 6.793 1.00 32.30 C ATOM 714 O GLN A 467 18.044 22.592 6.872 1.00 32.25 O ATOM 715 CB GLN A 467 15.721 24.815 5.343 1.00 32.11 C ATOM 716 CG GLN A 467 14.922 24.228 4.192 1.00 48.60 C ATOM 717 CD GLN A 467 13.486 24.050 4.557 1.00 69.62 C ATOM 718 OE1 GLN A 467 12.713 25.014 4.677 1.00 67.31 O ATOM 719 NE2 GLN A 467 13.107 22.800 4.737 1.00 60.79 N ATOM 720 HE22 GLN A 467 13.794 22.027 4.625 1.00 0.00 H ATOM 721 HE21 GLN A 467 12.121 22.587 4.991 1.00 0.00 H ATOM 722 H GLN A 467 17.349 22.579 4.188 1.00 0.00 H ATOM 723 N ARG A 468 16.991 24.384 7.855 1.00 25.28 N ATOM 724 CA ARG A 468 17.012 23.961 9.236 1.00 24.15 C ATOM 725 C ARG A 468 15.555 24.065 9.849 1.00 31.27 C ATOM 726 O ARG A 468 15.116 25.183 10.149 1.00 32.63 O ATOM 727 CB ARG A 468 18.055 24.763 10.021 1.00 20.32 C ATOM 728 CG ARG A 468 19.365 24.005 10.222 1.00 26.65 C ATOM 729 CD ARG A 468 20.294 24.663 11.234 1.00 28.72 C ATOM 730 NE ARG A 468 19.798 24.559 12.610 1.00 35.75 N ATOM 731 CZ ARG A 468 20.519 24.826 13.699 1.00 48.91 C ATOM 732 NH1 ARG A 468 21.789 25.198 13.589 1.00 47.89 N ATOM 733 NH2 ARG A 468 19.981 24.701 14.908 1.00 19.38 N ATOM 734 HE ARG A 468 18.813 24.255 12.746 1.00 0.00 H ATOM 735 HH12 ARG A 468 22.346 25.405 14.443 1.00 0.00 H ATOM 736 HH11 ARG A 468 22.227 25.282 12.649 1.00 0.00 H ATOM 737 HH22 ARG A 468 20.548 24.911 15.754 1.00 0.00 H ATOM 738 HH21 ARG A 468 18.993 24.393 15.008 1.00 0.00 H ATOM 739 H ARG A 468 16.592 25.324 7.659 1.00 0.00 H ATOM 740 N PRO A 469 14.758 22.959 9.981 1.00 27.18 N ATOM 741 CA PRO A 469 15.070 21.546 9.690 1.00 27.41 C ATOM 742 C PRO A 469 14.807 21.120 8.241 1.00 33.43 C ATOM 743 O PRO A 469 14.054 21.778 7.531 1.00 33.78 O ATOM 744 CB PRO A 469 14.163 20.801 10.677 1.00 28.55 C ATOM 745 CG PRO A 469 12.938 21.646 10.734 1.00 33.25 C ATOM 746 CD PRO A 469 13.410 23.086 10.563 1.00 29.10 C ATOM 747 N ILE A 470 15.423 20.001 7.818 1.00 30.15 N ATOM 748 CA ILE A 470 15.260 19.419 6.471 1.00 28.85 C ATOM 749 C ILE A 470 13.903 18.646 6.379 1.00 32.23 C ATOM 750 O ILE A 470 13.529 17.983 7.353 1.00 30.64 O ATOM 751 CB ILE A 470 16.526 18.586 6.037 1.00 30.12 C ATOM 752 CG1 ILE A 470 16.745 17.307 6.871 1.00 27.70 C ATOM 753 CG2 ILE A 470 17.787 19.452 6.086 1.00 30.90 C ATOM 754 CD1 ILE A 470 16.558 16.112 6.146 1.00 21.27 C ATOM 755 H ILE A 470 16.056 19.514 8.484 1.00 0.00 H ATOM 756 N PHE A 471 13.148 18.808 5.240 1.00 29.83 N ATOM 757 CA PHE A 471 11.840 18.178 4.974 1.00 29.88 C ATOM 758 C PHE A 471 11.984 16.975 4.043 1.00 33.72 C ATOM 759 O PHE A 471 12.864 16.965 3.180 1.00 32.62 O ATOM 760 CB PHE A 471 10.813 19.136 4.304 1.00 32.75 C ATOM 761 CG PHE A 471 10.545 20.545 4.801 1.00 35.63 C ATOM 762 CD1 PHE A 471 10.743 20.884 6.135 1.00 39.44 C ATOM 763 CD2 PHE A 471 10.026 21.512 3.945 1.00 38.23 C ATOM 764 CE1 PHE A 471 10.473 22.176 6.591 1.00 41.53 C ATOM 765 CE2 PHE A 471 9.740 22.795 4.400 1.00 41.83 C ATOM 766 CZ PHE A 471 9.955 23.117 5.722 1.00 40.73 C ATOM 767 H PHE A 471 13.533 19.430 4.501 1.00 0.00 H ATOM 768 N ILE A 472 11.068 15.995 4.191 1.00 30.75 N ATOM 769 CA ILE A 472 10.934 14.809 3.346 1.00 30.27 C ATOM 770 C ILE A 472 9.513 14.872 2.746 1.00 33.42 C ATOM 771 O ILE A 472 8.539 14.945 3.491 1.00 33.65 O ATOM 772 CB ILE A 472 11.200 13.499 4.127 1.00 33.53 C ATOM 773 CG1 ILE A 472 12.622 13.475 4.734 1.00 33.70 C ATOM 774 CG2 ILE A 472 10.970 12.277 3.227 1.00 36.00 C ATOM 775 CD1 ILE A 472 12.783 12.464 5.778 1.00 37.52 C ATOM 776 H ILE A 472 10.396 16.092 4.978 1.00 0.00 H ATOM 777 N ILE A 473 9.407 14.908 1.412 1.00 29.44 N ATOM 778 CA ILE A 473 8.131 15.021 0.693 1.00 28.68 C ATOM 779 C ILE A 473 7.739 13.647 0.168 1.00 29.88 C ATOM 780 O ILE A 473 8.537 13.007 -0.506 1.00 28.47 O ATOM 781 CB ILE A 473 8.213 16.110 -0.424 1.00 32.56 C ATOM 782 CG1 ILE A 473 8.931 17.425 0.058 1.00 32.89 C ATOM 783 CG2 ILE A 473 6.862 16.407 -1.057 1.00 33.66 C ATOM 784 CD1 ILE A 473 8.419 18.149 1.359 1.00 35.77 C ATOM 785 H ILE A 473 10.281 14.853 0.851 1.00 0.00 H ATOM 786 N THR A 474 6.532 13.167 0.536 1.00 26.40 N ATOM 787 CA THR A 474 6.006 11.841 0.144 1.00 24.67 C ATOM 788 C THR A 474 4.544 11.860 -0.320 1.00 26.19 C ATOM 789 O THR A 474 3.888 12.906 -0.319 1.00 24.49 O ATOM 790 CB THR A 474 6.173 10.789 1.279 1.00 26.02 C ATOM 791 OG1 THR A 474 5.451 11.199 2.425 1.00 21.14 O ATOM 792 CG2 THR A 474 7.633 10.479 1.629 1.00 25.74 C ATOM 793 HG1 THR A 474 5.562 10.525 3.142 1.00 0.00 H ATOM 794 H THR A 474 5.932 13.769 1.135 1.00 0.00 H ATOM 795 N GLU A 475 4.051 10.661 -0.692 1.00 22.77 N ATOM 796 CA GLU A 475 2.679 10.310 -1.098 1.00 21.52 C ATOM 797 C GLU A 475 1.723 10.579 0.085 1.00 26.50 C ATOM 798 O GLU A 475 2.015 10.170 1.218 1.00 24.84 O ATOM 799 CB GLU A 475 2.645 8.808 -1.430 1.00 21.33 C ATOM 800 CG GLU A 475 1.512 8.361 -2.324 1.00 24.06 C ATOM 801 CD GLU A 475 1.268 6.863 -2.319 1.00 48.05 C ATOM 802 OE1 GLU A 475 2.236 6.090 -2.511 1.00 42.17 O ATOM 803 OE2 GLU A 475 0.099 6.460 -2.125 1.00 44.11 O ATOM 804 H GLU A 475 4.733 9.876 -0.692 1.00 0.00 H ATOM 805 N TYR A 476 0.581 11.253 -0.177 1.00 24.61 N ATOM 806 CA TYR A 476 -0.366 11.512 0.890 1.00 23.92 C ATOM 807 C TYR A 476 -1.233 10.290 1.234 1.00 28.70 C ATOM 808 O TYR A 476 -2.006 9.789 0.396 1.00 30.28 O ATOM 809 CB TYR A 476 -1.212 12.755 0.626 1.00 25.37 C ATOM 810 CG TYR A 476 -2.168 13.053 1.763 1.00 26.76 C ATOM 811 CD1 TYR A 476 -1.725 13.087 3.085 1.00 27.90 C ATOM 812 CD2 TYR A 476 -3.508 13.332 1.516 1.00 27.73 C ATOM 813 CE1 TYR A 476 -2.607 13.318 4.136 1.00 28.86 C ATOM 814 CE2 TYR A 476 -4.395 13.596 2.559 1.00 28.62 C ATOM 815 CZ TYR A 476 -3.942 13.581 3.869 1.00 34.79 C ATOM 816 OH TYR A 476 -4.820 13.808 4.901 1.00 34.17 O ATOM 817 HH TYR A 476 -4.334 13.762 5.762 1.00 0.00 H ATOM 818 H TYR A 476 0.382 11.585 -1.142 1.00 0.00 H ATOM 819 N MET A 477 -1.091 9.823 2.491 1.00 22.80 N ATOM 820 CA MET A 477 -1.869 8.706 3.061 1.00 20.68 C ATOM 821 C MET A 477 -2.858 9.297 4.083 1.00 24.67 C ATOM 822 O MET A 477 -2.487 9.640 5.211 1.00 24.20 O ATOM 823 CB MET A 477 -0.948 7.632 3.694 1.00 20.90 C ATOM 824 CG MET A 477 0.186 7.130 2.759 1.00 21.26 C ATOM 825 SD MET A 477 -0.317 6.248 1.254 1.00 21.50 S ATOM 826 CE MET A 477 -0.910 4.801 1.957 1.00 17.03 C ATOM 827 H MET A 477 -0.384 10.282 3.101 1.00 0.00 H ATOM 828 N ALA A 478 -4.094 9.502 3.630 1.00 22.18 N ATOM 829 CA ALA A 478 -5.190 10.161 4.356 1.00 23.15 C ATOM 830 C ALA A 478 -5.649 9.491 5.654 1.00 28.51 C ATOM 831 O ALA A 478 -5.972 10.206 6.602 1.00 27.65 O ATOM 832 CB ALA A 478 -6.380 10.348 3.434 1.00 24.37 C ATOM 833 H ALA A 478 -4.304 9.163 2.670 1.00 0.00 H ATOM 834 N ASN A 479 -5.707 8.142 5.703 1.00 26.27 N ATOM 835 CA ASN A 479 -6.161 7.405 6.895 1.00 25.43 C ATOM 836 C ASN A 479 -5.034 7.073 7.936 1.00 24.80 C ATOM 837 O ASN A 479 -5.293 6.362 8.916 1.00 23.80 O ATOM 838 CB ASN A 479 -6.928 6.160 6.483 1.00 31.11 C ATOM 839 CG ASN A 479 -8.288 6.480 5.931 1.00 63.38 C ATOM 840 OD1 ASN A 479 -9.241 6.724 6.676 1.00 61.81 O ATOM 841 ND2 ASN A 479 -8.408 6.489 4.614 1.00 57.03 N ATOM 842 HD22 ASN A 479 -7.584 6.279 4.015 1.00 0.00 H ATOM 843 HD21 ASN A 479 -9.326 6.706 4.177 1.00 0.00 H ATOM 844 H ASN A 479 -5.419 7.601 4.863 1.00 0.00 H ATOM 845 N GLY A 480 -3.838 7.632 7.719 1.00 18.49 N ATOM 846 CA GLY A 480 -2.674 7.561 8.598 1.00 17.60 C ATOM 847 C GLY A 480 -2.098 6.202 8.918 1.00 22.00 C ATOM 848 O GLY A 480 -2.107 5.304 8.076 1.00 20.26 O ATOM 849 H GLY A 480 -3.726 8.171 6.836 1.00 0.00 H ATOM 850 N CYS A 481 -1.540 6.067 10.144 1.00 21.57 N ATOM 851 CA CYS A 481 -0.916 4.842 10.677 1.00 22.01 C ATOM 852 C CYS A 481 -1.914 3.686 10.766 1.00 24.78 C ATOM 853 O CYS A 481 -3.025 3.867 11.270 1.00 26.43 O ATOM 854 CB CYS A 481 -0.264 5.115 12.030 1.00 23.35 C ATOM 855 SG CYS A 481 1.186 6.221 11.963 1.00 27.84 S ATOM 856 H CYS A 481 -1.553 6.901 10.765 1.00 0.00 H ATOM 857 N LEU A 482 -1.513 2.511 10.293 1.00 17.96 N ATOM 858 CA LEU A 482 -2.352 1.318 10.287 1.00 17.36 C ATOM 859 C LEU A 482 -2.761 0.840 11.679 1.00 17.96 C ATOM 860 O LEU A 482 -3.860 0.305 11.831 1.00 16.53 O ATOM 861 CB LEU A 482 -1.677 0.185 9.483 1.00 17.57 C ATOM 862 CG LEU A 482 -2.393 -1.171 9.368 1.00 21.71 C ATOM 863 CD1 LEU A 482 -3.711 -1.057 8.636 1.00 22.00 C ATOM 864 CD2 LEU A 482 -1.493 -2.204 8.752 1.00 24.11 C ATOM 865 H LEU A 482 -0.550 2.438 9.907 1.00 0.00 H ATOM 866 N LEU A 483 -1.879 1.022 12.676 1.00 13.58 N ATOM 867 CA LEU A 483 -2.136 0.628 14.059 1.00 13.32 C ATOM 868 C LEU A 483 -3.363 1.335 14.661 1.00 18.39 C ATOM 869 O LEU A 483 -4.139 0.672 15.345 1.00 18.64 O ATOM 870 CB LEU A 483 -0.896 0.782 14.944 1.00 13.36 C ATOM 871 CG LEU A 483 -0.891 -0.047 16.239 1.00 18.75 C ATOM 872 CD1 LEU A 483 -0.779 -1.544 15.948 1.00 19.25 C ATOM 873 CD2 LEU A 483 0.256 0.368 17.136 1.00 20.99 C ATOM 874 H LEU A 483 -0.966 1.466 12.452 1.00 0.00 H ATOM 875 N ASN A 484 -3.569 2.640 14.336 1.00 14.02 N ATOM 876 CA ASN A 484 -4.693 3.485 14.756 1.00 13.90 C ATOM 877 C ASN A 484 -5.935 3.151 13.941 1.00 16.57 C ATOM 878 O ASN A 484 -7.038 3.188 14.476 1.00 15.92 O ATOM 879 CB ASN A 484 -4.352 4.973 14.545 1.00 20.39 C ATOM 880 CG ASN A 484 -3.059 5.449 15.164 1.00 41.37 C ATOM 881 OD1 ASN A 484 -1.972 4.899 14.938 1.00 35.37 O ATOM 882 ND2 ASN A 484 -3.153 6.504 15.945 1.00 29.16 N ATOM 883 HD22 ASN A 484 -4.080 6.944 16.116 1.00 0.00 H ATOM 884 HD21 ASN A 484 -2.300 6.898 16.392 1.00 0.00 H ATOM 885 H ASN A 484 -2.855 3.086 13.726 1.00 0.00 H ATOM 886 N TYR A 485 -5.749 2.870 12.629 1.00 13.72 N ATOM 887 CA TYR A 485 -6.799 2.524 11.671 1.00 13.92 C ATOM 888 C TYR A 485 -7.412 1.176 12.065 1.00 19.52 C ATOM 889 O TYR A 485 -8.629 1.024 12.012 1.00 20.12 O ATOM 890 CB TYR A 485 -6.227 2.492 10.249 1.00 14.68 C ATOM 891 CG TYR A 485 -7.248 2.325 9.153 1.00 17.10 C ATOM 892 CD1 TYR A 485 -8.117 3.355 8.824 1.00 20.33 C ATOM 893 CD2 TYR A 485 -7.279 1.175 8.373 1.00 18.06 C ATOM 894 CE1 TYR A 485 -9.057 3.211 7.804 1.00 22.75 C ATOM 895 CE2 TYR A 485 -8.201 1.023 7.342 1.00 19.72 C ATOM 896 CZ TYR A 485 -9.104 2.035 7.074 1.00 30.97 C ATOM 897 OH TYR A 485 -10.010 1.881 6.049 1.00 34.65 O ATOM 898 HH TYR A 485 -10.580 2.689 5.989 1.00 0.00 H ATOM 899 H TYR A 485 -4.773 2.903 12.271 1.00 0.00 H ATOM 900 N LEU A 486 -6.584 0.232 12.533 1.00 15.65 N ATOM 901 CA LEU A 486 -7.064 -1.078 12.988 1.00 14.92 C ATOM 902 C LEU A 486 -7.794 -0.946 14.317 1.00 19.70 C ATOM 903 O LEU A 486 -8.821 -1.607 14.499 1.00 21.22 O ATOM 904 CB LEU A 486 -5.914 -2.121 13.126 1.00 13.72 C ATOM 905 CG LEU A 486 -5.250 -2.595 11.841 1.00 16.11 C ATOM 906 CD1 LEU A 486 -3.949 -3.200 12.151 1.00 16.99 C ATOM 907 CD2 LEU A 486 -6.118 -3.591 11.065 1.00 13.08 C ATOM 908 H LEU A 486 -5.565 0.435 12.575 1.00 0.00 H ATOM 909 N ARG A 487 -7.258 -0.105 15.240 1.00 14.12 N ATOM 910 CA ARG A 487 -7.787 0.102 16.595 1.00 13.83 C ATOM 911 C ARG A 487 -9.176 0.761 16.615 1.00 21.44 C ATOM 912 O ARG A 487 -9.960 0.517 17.546 1.00 20.84 O ATOM 913 CB ARG A 487 -6.786 0.856 17.471 1.00 11.00 C ATOM 914 CG ARG A 487 -5.674 -0.040 17.953 1.00 11.76 C ATOM 915 CD ARG A 487 -4.458 0.695 18.476 1.00 14.91 C ATOM 916 NE ARG A 487 -3.311 -0.222 18.622 1.00 18.87 N ATOM 917 CZ ARG A 487 -2.472 -0.242 19.657 1.00 30.15 C ATOM 918 NH1 ARG A 487 -2.623 0.613 20.666 1.00 18.46 N ATOM 919 NH2 ARG A 487 -1.477 -1.114 19.691 1.00 14.13 N ATOM 920 HE ARG A 487 -3.144 -0.906 17.857 1.00 0.00 H ATOM 921 HH12 ARG A 487 -1.964 0.590 21.470 1.00 0.00 H ATOM 922 HH11 ARG A 487 -3.400 1.304 20.650 1.00 0.00 H ATOM 923 HH22 ARG A 487 -0.824 -1.127 20.500 1.00 0.00 H ATOM 924 HH21 ARG A 487 -1.348 -1.787 18.908 1.00 0.00 H ATOM 925 H ARG A 487 -6.410 0.432 14.967 1.00 0.00 H ATOM 926 N GLU A 488 -9.496 1.559 15.565 1.00 19.46 N ATOM 927 CA GLU A 488 -10.796 2.209 15.447 1.00 19.17 C ATOM 928 C GLU A 488 -11.854 1.136 15.168 1.00 24.47 C ATOM 929 O GLU A 488 -12.060 0.703 14.028 1.00 23.89 O ATOM 930 CB GLU A 488 -10.760 3.387 14.455 1.00 19.77 C ATOM 931 CG GLU A 488 -10.205 4.659 15.087 1.00 25.14 C ATOM 932 CD GLU A 488 -9.322 5.560 14.234 1.00 51.47 C ATOM 933 OE1 GLU A 488 -9.752 5.962 13.128 1.00 42.04 O ATOM 934 OE2 GLU A 488 -8.199 5.883 14.684 1.00 53.22 O ATOM 935 H GLU A 488 -8.789 1.712 14.818 1.00 0.00 H ATOM 936 N MET A 489 -12.454 0.643 16.262 1.00 22.56 N ATOM 937 CA MET A 489 -13.454 -0.432 16.277 1.00 23.18 C ATOM 938 C MET A 489 -14.674 -0.195 15.381 1.00 23.69 C ATOM 939 O MET A 489 -15.291 -1.168 14.937 1.00 24.50 O ATOM 940 CB MET A 489 -13.900 -0.752 17.715 1.00 27.01 C ATOM 941 CG MET A 489 -12.869 -1.528 18.529 1.00 32.22 C ATOM 942 SD MET A 489 -12.543 -3.215 17.943 1.00 37.87 S ATOM 943 CE MET A 489 -13.864 -4.117 18.730 1.00 34.54 C ATOM 944 H MET A 489 -12.188 1.058 17.178 1.00 0.00 H ATOM 945 N ARG A 490 -15.004 1.069 15.092 1.00 17.30 N ATOM 946 CA ARG A 490 -16.143 1.440 14.241 1.00 16.63 C ATOM 947 C ARG A 490 -16.059 0.858 12.828 1.00 20.09 C ATOM 948 O ARG A 490 -17.096 0.586 12.222 1.00 20.65 O ATOM 949 CB ARG A 490 -16.329 2.970 14.169 1.00 14.81 C ATOM 950 CG ARG A 490 -15.180 3.719 13.514 1.00 14.96 C ATOM 951 CD ARG A 490 -15.275 5.209 13.718 1.00 25.34 C ATOM 952 NE ARG A 490 -14.061 5.871 13.241 1.00 34.38 N ATOM 953 CZ ARG A 490 -13.893 6.337 12.008 1.00 56.07 C ATOM 954 NH1 ARG A 490 -14.865 6.235 11.114 1.00 51.17 N ATOM 955 NH2 ARG A 490 -12.753 6.917 11.661 1.00 43.84 N ATOM 956 HE ARG A 490 -13.275 5.985 13.913 1.00 0.00 H ATOM 957 HH12 ARG A 490 -14.726 6.602 10.151 1.00 0.00 H ATOM 958 HH11 ARG A 490 -15.767 5.788 11.375 1.00 0.00 H ATOM 959 HH22 ARG A 490 -12.627 7.280 10.694 1.00 0.00 H ATOM 960 HH21 ARG A 490 -11.984 7.009 12.355 1.00 0.00 H ATOM 961 H ARG A 490 -14.422 1.832 15.492 1.00 0.00 H ATOM 962 N HIS A 491 -14.835 0.652 12.325 1.00 14.80 N ATOM 963 CA HIS A 491 -14.560 0.186 10.991 1.00 14.48 C ATOM 964 C HIS A 491 -15.244 -1.130 10.631 1.00 16.62 C ATOM 965 O HIS A 491 -15.576 -1.347 9.454 1.00 17.91 O ATOM 966 CB HIS A 491 -13.055 0.128 10.773 1.00 15.18 C ATOM 967 CG HIS A 491 -12.500 1.474 10.435 1.00 19.20 C ATOM 968 ND1 HIS A 491 -12.772 2.037 9.196 1.00 21.79 N ATOM 969 CD2 HIS A 491 -11.840 2.384 11.189 1.00 21.20 C ATOM 970 CE1 HIS A 491 -12.236 3.245 9.220 1.00 21.99 C ATOM 971 NE2 HIS A 491 -11.686 3.515 10.396 1.00 21.93 N ATOM 972 H HIS A 491 -14.022 0.843 12.945 1.00 0.00 H ATOM 973 N ARG A 492 -15.504 -1.976 11.634 1.00 12.11 N ATOM 974 CA ARG A 492 -16.167 -3.266 11.479 1.00 11.03 C ATOM 975 C ARG A 492 -15.613 -4.009 10.273 1.00 13.56 C ATOM 976 O ARG A 492 -16.367 -4.392 9.392 1.00 13.54 O ATOM 977 CB ARG A 492 -17.695 -3.112 11.416 1.00 10.01 C ATOM 978 CG ARG A 492 -18.296 -2.516 12.678 1.00 16.93 C ATOM 979 CD ARG A 492 -19.745 -2.109 12.486 1.00 23.47 C ATOM 980 NE ARG A 492 -20.230 -1.273 13.584 1.00 24.25 N ATOM 981 CZ ARG A 492 -21.162 -1.648 14.451 1.00 45.98 C ATOM 982 NH1 ARG A 492 -21.563 -0.818 15.403 1.00 42.72 N ATOM 983 NH2 ARG A 492 -21.700 -2.860 14.373 1.00 31.92 N ATOM 984 HE ARG A 492 -19.818 -0.324 13.692 1.00 0.00 H ATOM 985 HH12 ARG A 492 -22.294 -1.117 16.080 1.00 0.00 H ATOM 986 HH11 ARG A 492 -21.147 0.133 15.473 1.00 0.00 H ATOM 987 HH22 ARG A 492 -22.430 -3.150 15.055 1.00 0.00 H ATOM 988 HH21 ARG A 492 -21.391 -3.519 13.630 1.00 0.00 H ATOM 989 H ARG A 492 -15.213 -1.694 12.592 1.00 0.00 H ATOM 990 N PHE A 493 -14.263 -4.147 10.215 1.00 11.06 N ATOM 991 CA PHE A 493 -13.513 -4.839 9.159 1.00 9.53 C ATOM 992 C PHE A 493 -13.921 -6.301 9.018 1.00 13.60 C ATOM 993 O PHE A 493 -14.184 -6.979 10.020 1.00 14.55 O ATOM 994 CB PHE A 493 -12.006 -4.803 9.440 1.00 9.33 C ATOM 995 CG PHE A 493 -11.344 -3.453 9.500 1.00 8.93 C ATOM 996 CD1 PHE A 493 -11.256 -2.656 8.371 1.00 10.15 C ATOM 997 CD2 PHE A 493 -10.710 -3.025 10.660 1.00 9.36 C ATOM 998 CE1 PHE A 493 -10.625 -1.418 8.423 1.00 10.70 C ATOM 999 CE2 PHE A 493 -10.053 -1.794 10.705 1.00 10.56 C ATOM 1000 CZ PHE A 493 -10.013 -1.003 9.590 1.00 9.71 C ATOM 1001 H PHE A 493 -13.711 -3.724 10.988 1.00 0.00 H ATOM 1002 N GLN A 494 -13.977 -6.775 7.762 1.00 11.17 N ATOM 1003 CA GLN A 494 -14.241 -8.172 7.430 1.00 10.94 C ATOM 1004 C GLN A 494 -12.867 -8.824 7.406 1.00 14.04 C ATOM 1005 O GLN A 494 -11.885 -8.140 7.124 1.00 14.17 O ATOM 1006 CB GLN A 494 -14.858 -8.300 6.035 1.00 11.68 C ATOM 1007 CG GLN A 494 -16.316 -7.883 5.944 1.00 13.44 C ATOM 1008 CD GLN A 494 -16.854 -8.130 4.564 1.00 17.96 C ATOM 1009 OE1 GLN A 494 -16.918 -7.210 3.744 1.00 13.21 O ATOM 1010 NE2 GLN A 494 -17.256 -9.381 4.280 1.00 6.13 N ATOM 1011 HE22 GLN A 494 -17.184 -10.127 5.001 1.00 0.00 H ATOM 1012 HE21 GLN A 494 -17.639 -9.603 3.339 1.00 0.00 H ATOM 1013 H GLN A 494 -13.823 -6.107 6.980 1.00 0.00 H ATOM 1014 N THR A 495 -12.784 -10.127 7.658 1.00 10.11 N ATOM 1015 CA THR A 495 -11.503 -10.813 7.610 1.00 9.81 C ATOM 1016 C THR A 495 -10.888 -10.677 6.202 1.00 15.33 C ATOM 1017 O THR A 495 -9.668 -10.670 6.074 1.00 15.80 O ATOM 1018 CB THR A 495 -11.666 -12.282 8.029 1.00 11.88 C ATOM 1019 OG1 THR A 495 -12.567 -12.918 7.123 1.00 10.35 O ATOM 1020 CG2 THR A 495 -12.146 -12.441 9.471 1.00 7.10 C ATOM 1021 HG1 THR A 495 -12.200 -12.868 6.205 1.00 0.00 H ATOM 1022 H THR A 495 -13.645 -10.661 7.892 1.00 0.00 H ATOM 1023 N GLN A 496 -11.726 -10.541 5.149 1.00 15.29 N ATOM 1024 CA GLN A 496 -11.257 -10.409 3.756 1.00 16.27 C ATOM 1025 C GLN A 496 -10.558 -9.076 3.553 1.00 22.27 C ATOM 1026 O GLN A 496 -9.582 -9.004 2.804 1.00 22.26 O ATOM 1027 CB GLN A 496 -12.351 -10.685 2.699 1.00 17.91 C ATOM 1028 CG GLN A 496 -13.820 -10.553 3.191 1.00 43.62 C ATOM 1029 CD GLN A 496 -14.444 -11.836 3.742 1.00 56.37 C ATOM 1030 OE1 GLN A 496 -14.968 -11.876 4.867 1.00 43.03 O ATOM 1031 NE2 GLN A 496 -14.431 -12.906 2.952 1.00 50.89 N ATOM 1032 HE22 GLN A 496 -13.987 -12.854 2.013 1.00 0.00 H ATOM 1033 HE21 GLN A 496 -14.864 -13.795 3.273 1.00 0.00 H ATOM 1034 H GLN A 496 -12.750 -10.529 5.330 1.00 0.00 H ATOM 1035 N GLN A 497 -10.998 -8.045 4.296 1.00 19.78 N ATOM 1036 CA GLN A 497 -10.350 -6.738 4.269 1.00 20.27 C ATOM 1037 C GLN A 497 -8.993 -6.845 4.962 1.00 23.32 C ATOM 1038 O GLN A 497 -8.033 -6.210 4.505 1.00 24.72 O ATOM 1039 CB GLN A 497 -11.215 -5.673 4.962 1.00 21.89 C ATOM 1040 CG GLN A 497 -12.612 -5.514 4.377 1.00 18.43 C ATOM 1041 CD GLN A 497 -13.394 -4.515 5.177 1.00 24.44 C ATOM 1042 OE1 GLN A 497 -14.433 -4.824 5.742 1.00 19.87 O ATOM 1043 NE2 GLN A 497 -12.908 -3.291 5.258 1.00 16.53 N ATOM 1044 HE22 GLN A 497 -12.022 -3.050 4.769 1.00 0.00 H ATOM 1045 HE21 GLN A 497 -13.411 -2.567 5.811 1.00 0.00 H ATOM 1046 H GLN A 497 -11.826 -8.184 4.909 1.00 0.00 H ATOM 1047 N LEU A 498 -8.922 -7.653 6.060 1.00 16.89 N ATOM 1048 CA LEU A 498 -7.702 -7.920 6.829 1.00 16.57 C ATOM 1049 C LEU A 498 -6.696 -8.719 5.991 1.00 20.44 C ATOM 1050 O LEU A 498 -5.537 -8.324 5.954 1.00 21.43 O ATOM 1051 CB LEU A 498 -7.975 -8.634 8.174 1.00 16.41 C ATOM 1052 CG LEU A 498 -8.925 -7.951 9.188 1.00 20.05 C ATOM 1053 CD1 LEU A 498 -9.238 -8.888 10.350 1.00 19.80 C ATOM 1054 CD2 LEU A 498 -8.382 -6.639 9.700 1.00 20.82 C ATOM 1055 H LEU A 498 -9.799 -8.114 6.375 1.00 0.00 H ATOM 1056 N LEU A 499 -7.130 -9.796 5.288 1.00 15.05 N ATOM 1057 CA LEU A 499 -6.243 -10.567 4.408 1.00 15.33 C ATOM 1058 C LEU A 499 -5.691 -9.715 3.272 1.00 18.84 C ATOM 1059 O LEU A 499 -4.535 -9.882 2.910 1.00 20.30 O ATOM 1060 CB LEU A 499 -6.908 -11.856 3.862 1.00 15.94 C ATOM 1061 CG LEU A 499 -5.955 -12.934 3.239 1.00 19.87 C ATOM 1062 CD1 LEU A 499 -5.158 -13.667 4.292 1.00 19.05 C ATOM 1063 CD2 LEU A 499 -6.712 -13.935 2.422 1.00 21.88 C ATOM 1064 H LEU A 499 -8.125 -10.085 5.376 1.00 0.00 H ATOM 1065 N GLU A 500 -6.493 -8.776 2.746 1.00 14.39 N ATOM 1066 CA GLU A 500 -6.083 -7.831 1.693 1.00 14.21 C ATOM 1067 C GLU A 500 -5.057 -6.802 2.216 1.00 20.05 C ATOM 1068 O GLU A 500 -4.286 -6.258 1.414 1.00 20.37 O ATOM 1069 CB GLU A 500 -7.300 -7.123 1.063 1.00 15.27 C ATOM 1070 CG GLU A 500 -7.686 -7.683 -0.301 1.00 25.36 C ATOM 1071 CD GLU A 500 -6.905 -7.224 -1.522 1.00 55.30 C ATOM 1072 OE1 GLU A 500 -6.244 -6.162 -1.456 1.00 71.38 O ATOM 1073 OE2 GLU A 500 -6.979 -7.917 -2.563 1.00 46.90 O ATOM 1074 H GLU A 500 -7.467 -8.711 3.105 1.00 0.00 H ATOM 1075 N MET A 501 -5.047 -6.529 3.561 1.00 14.94 N ATOM 1076 CA MET A 501 -4.071 -5.623 4.178 1.00 13.39 C ATOM 1077 C MET A 501 -2.718 -6.345 4.150 1.00 14.92 C ATOM 1078 O MET A 501 -1.705 -5.721 3.880 1.00 14.71 O ATOM 1079 CB MET A 501 -4.462 -5.265 5.630 1.00 15.56 C ATOM 1080 CG MET A 501 -5.637 -4.309 5.764 1.00 18.66 C ATOM 1081 SD MET A 501 -6.072 -3.941 7.509 1.00 21.99 S ATOM 1082 CE MET A 501 -7.346 -2.627 7.283 1.00 18.64 C ATOM 1083 H MET A 501 -5.760 -6.982 4.168 1.00 0.00 H ATOM 1084 N CYS A 502 -2.719 -7.672 4.371 1.00 11.12 N ATOM 1085 CA CYS A 502 -1.528 -8.537 4.374 1.00 11.05 C ATOM 1086 C CYS A 502 -0.983 -8.678 2.975 1.00 16.72 C ATOM 1087 O CYS A 502 0.220 -8.573 2.789 1.00 17.07 O ATOM 1088 CB CYS A 502 -1.833 -9.898 4.998 1.00 11.01 C ATOM 1089 SG CYS A 502 -2.384 -9.811 6.720 1.00 13.91 S ATOM 1090 H CYS A 502 -3.637 -8.124 4.555 1.00 0.00 H ATOM 1091 N LYS A 503 -1.881 -8.886 1.989 1.00 14.02 N ATOM 1092 CA LYS A 503 -1.610 -9.019 0.566 1.00 14.23 C ATOM 1093 C LYS A 503 -0.831 -7.774 0.106 1.00 17.62 C ATOM 1094 O LYS A 503 0.287 -7.905 -0.388 1.00 19.07 O ATOM 1095 CB LYS A 503 -2.955 -9.157 -0.164 1.00 17.86 C ATOM 1096 CG LYS A 503 -2.872 -9.416 -1.672 1.00 39.45 C ATOM 1097 CD LYS A 503 -3.640 -8.356 -2.422 1.00 46.58 C ATOM 1098 CE LYS A 503 -3.703 -8.628 -3.899 1.00 65.68 C ATOM 1099 NZ LYS A 503 -3.627 -7.369 -4.691 1.00 81.64 N ATOM 1100 HZ1 LYS A 503 -4.424 -6.752 -4.436 1.00 0.00 H ATOM 1101 HZ2 LYS A 503 -2.731 -6.884 -4.483 1.00 0.00 H ATOM 1102 HZ3 LYS A 503 -3.673 -7.595 -5.705 1.00 0.00 H ATOM 1103 H LYS A 503 -2.877 -8.959 2.279 1.00 0.00 H ATOM 1104 N ASP A 504 -1.396 -6.573 0.345 1.00 10.99 N ATOM 1105 CA ASP A 504 -0.814 -5.271 0.046 1.00 9.82 C ATOM 1106 C ASP A 504 0.624 -5.195 0.532 1.00 14.03 C ATOM 1107 O ASP A 504 1.516 -5.079 -0.290 1.00 13.48 O ATOM 1108 CB ASP A 504 -1.624 -4.178 0.760 1.00 10.66 C ATOM 1109 CG ASP A 504 -2.914 -3.748 0.122 1.00 13.58 C ATOM 1110 OD1 ASP A 504 -3.221 -4.226 -0.989 1.00 14.44 O ATOM 1111 OD2 ASP A 504 -3.613 -2.940 0.727 1.00 17.41 O ATOM 1112 H ASP A 504 -2.338 -6.576 0.785 1.00 0.00 H ATOM 1113 N VAL A 505 0.841 -5.281 1.876 1.00 11.64 N ATOM 1114 CA VAL A 505 2.145 -5.234 2.538 1.00 11.27 C ATOM 1115 C VAL A 505 3.101 -6.243 1.910 1.00 16.33 C ATOM 1116 O VAL A 505 4.213 -5.875 1.555 1.00 16.49 O ATOM 1117 CB VAL A 505 2.015 -5.431 4.073 1.00 14.43 C ATOM 1118 CG1 VAL A 505 3.377 -5.442 4.754 1.00 14.38 C ATOM 1119 CG2 VAL A 505 1.147 -4.348 4.674 1.00 13.85 C ATOM 1120 H VAL A 505 0.005 -5.390 2.485 1.00 0.00 H ATOM 1121 N CYS A 506 2.651 -7.494 1.738 1.00 14.65 N ATOM 1122 CA CYS A 506 3.432 -8.591 1.143 1.00 15.89 C ATOM 1123 C CYS A 506 3.904 -8.295 -0.272 1.00 19.06 C ATOM 1124 O CYS A 506 4.988 -8.745 -0.649 1.00 18.74 O ATOM 1125 CB CYS A 506 2.657 -9.893 1.194 1.00 16.99 C ATOM 1126 SG CYS A 506 3.704 -11.342 1.040 1.00 22.19 S ATOM 1127 H CYS A 506 1.681 -7.705 2.047 1.00 0.00 H ATOM 1128 N GLU A 507 3.077 -7.550 -1.051 1.00 14.53 N ATOM 1129 CA GLU A 507 3.372 -7.099 -2.410 1.00 14.62 C ATOM 1130 C GLU A 507 4.522 -6.081 -2.379 1.00 18.04 C ATOM 1131 O GLU A 507 5.399 -6.111 -3.244 1.00 18.08 O ATOM 1132 CB GLU A 507 2.125 -6.464 -3.055 1.00 15.75 C ATOM 1133 CG GLU A 507 1.078 -7.460 -3.501 1.00 13.94 C ATOM 1134 CD GLU A 507 0.021 -6.908 -4.424 1.00 36.66 C ATOM 1135 OE1 GLU A 507 -0.055 -5.671 -4.596 1.00 49.83 O ATOM 1136 OE2 GLU A 507 -0.730 -7.728 -4.995 1.00 47.29 O ATOM 1137 H GLU A 507 2.158 -7.278 -0.647 1.00 0.00 H ATOM 1138 N ALA A 508 4.517 -5.193 -1.368 1.00 13.86 N ATOM 1139 CA ALA A 508 5.568 -4.196 -1.152 1.00 12.97 C ATOM 1140 C ALA A 508 6.839 -4.898 -0.661 1.00 16.52 C ATOM 1141 O ALA A 508 7.937 -4.508 -1.055 1.00 17.31 O ATOM 1142 CB ALA A 508 5.117 -3.166 -0.136 1.00 12.42 C ATOM 1143 H ALA A 508 3.720 -5.216 -0.701 1.00 0.00 H ATOM 1144 N MET A 509 6.687 -5.954 0.167 1.00 10.23 N ATOM 1145 CA MET A 509 7.816 -6.707 0.694 1.00 9.18 C ATOM 1146 C MET A 509 8.458 -7.606 -0.338 1.00 10.76 C ATOM 1147 O MET A 509 9.667 -7.791 -0.281 1.00 9.87 O ATOM 1148 CB MET A 509 7.443 -7.479 1.951 1.00 11.33 C ATOM 1149 CG MET A 509 7.090 -6.622 3.156 1.00 14.49 C ATOM 1150 SD MET A 509 8.309 -5.349 3.525 1.00 19.01 S ATOM 1151 CE MET A 509 9.731 -6.354 4.020 1.00 15.14 C ATOM 1152 H MET A 509 5.725 -6.241 0.439 1.00 0.00 H ATOM 1153 N GLU A 510 7.677 -8.142 -1.290 1.00 9.64 N ATOM 1154 CA GLU A 510 8.207 -8.962 -2.398 1.00 12.43 C ATOM 1155 C GLU A 510 8.987 -8.062 -3.341 1.00 19.02 C ATOM 1156 O GLU A 510 10.003 -8.484 -3.868 1.00 20.21 O ATOM 1157 CB GLU A 510 7.093 -9.689 -3.165 1.00 14.71 C ATOM 1158 CG GLU A 510 7.583 -10.672 -4.228 1.00 27.98 C ATOM 1159 CD GLU A 510 6.617 -10.950 -5.375 1.00 48.76 C ATOM 1160 OE1 GLU A 510 5.585 -10.246 -5.478 1.00 38.21 O ATOM 1161 OE2 GLU A 510 6.899 -11.864 -6.184 1.00 33.12 O ATOM 1162 H GLU A 510 6.652 -7.972 -1.245 1.00 0.00 H ATOM 1163 N TYR A 511 8.526 -6.807 -3.524 1.00 17.36 N ATOM 1164 CA TYR A 511 9.198 -5.817 -4.364 1.00 17.58 C ATOM 1165 C TYR A 511 10.524 -5.446 -3.738 1.00 23.20 C ATOM 1166 O TYR A 511 11.528 -5.469 -4.442 1.00 24.38 O ATOM 1167 CB TYR A 511 8.319 -4.563 -4.604 1.00 17.82 C ATOM 1168 CG TYR A 511 9.073 -3.459 -5.305 1.00 19.64 C ATOM 1169 CD1 TYR A 511 9.437 -3.579 -6.643 1.00 22.01 C ATOM 1170 CD2 TYR A 511 9.504 -2.331 -4.609 1.00 20.56 C ATOM 1171 CE1 TYR A 511 10.186 -2.590 -7.280 1.00 23.50 C ATOM 1172 CE2 TYR A 511 10.247 -1.330 -5.240 1.00 21.75 C ATOM 1173 CZ TYR A 511 10.592 -1.471 -6.574 1.00 30.13 C ATOM 1174 OH TYR A 511 11.327 -0.511 -7.213 1.00 36.23 O ATOM 1175 HH TYR A 511 11.475 -0.782 -8.154 1.00 0.00 H ATOM 1176 H TYR A 511 7.647 -6.530 -3.042 1.00 0.00 H ATOM 1177 N LEU A 512 10.533 -5.101 -2.412 1.00 18.88 N ATOM 1178 CA LEU A 512 11.749 -4.735 -1.676 1.00 17.59 C ATOM 1179 C LEU A 512 12.781 -5.869 -1.691 1.00 21.90 C ATOM 1180 O LEU A 512 13.931 -5.627 -2.063 1.00 20.82 O ATOM 1181 CB LEU A 512 11.442 -4.248 -0.247 1.00 16.45 C ATOM 1182 CG LEU A 512 10.743 -2.857 -0.131 1.00 20.91 C ATOM 1183 CD1 LEU A 512 10.412 -2.513 1.325 1.00 19.60 C ATOM 1184 CD2 LEU A 512 11.585 -1.718 -0.745 1.00 22.60 C ATOM 1185 H LEU A 512 9.628 -5.098 -1.899 1.00 0.00 H ATOM 1186 N GLU A 513 12.330 -7.121 -1.388 1.00 19.17 N ATOM 1187 CA GLU A 513 13.123 -8.353 -1.366 1.00 18.99 C ATOM 1188 C GLU A 513 13.875 -8.564 -2.682 1.00 23.78 C ATOM 1189 O GLU A 513 15.058 -8.889 -2.649 1.00 23.89 O ATOM 1190 CB GLU A 513 12.208 -9.546 -1.063 1.00 20.69 C ATOM 1191 CG GLU A 513 12.906 -10.895 -0.953 1.00 35.69 C ATOM 1192 CD GLU A 513 12.041 -12.035 -0.458 1.00 50.58 C ATOM 1193 OE1 GLU A 513 11.172 -12.511 -1.222 1.00 45.60 O ATOM 1194 OE2 GLU A 513 12.241 -12.455 0.702 1.00 48.30 O ATOM 1195 H GLU A 513 11.322 -7.210 -1.149 1.00 0.00 H ATOM 1196 N SER A 514 13.190 -8.361 -3.836 1.00 21.06 N ATOM 1197 CA SER A 514 13.754 -8.507 -5.184 1.00 20.93 C ATOM 1198 C SER A 514 14.845 -7.490 -5.474 1.00 22.93 C ATOM 1199 O SER A 514 15.797 -7.814 -6.179 1.00 23.92 O ATOM 1200 CB SER A 514 12.657 -8.459 -6.242 1.00 25.80 C ATOM 1201 OG SER A 514 12.056 -7.183 -6.381 1.00 38.96 O ATOM 1202 HG SER A 514 11.648 -6.916 -5.519 1.00 0.00 H ATOM 1203 H SER A 514 12.191 -8.081 -3.760 1.00 0.00 H ATOM 1204 N LYS A 515 14.727 -6.279 -4.888 1.00 17.67 N ATOM 1205 CA LYS A 515 15.711 -5.195 -5.006 1.00 16.82 C ATOM 1206 C LYS A 515 16.873 -5.389 -3.992 1.00 18.66 C ATOM 1207 O LYS A 515 17.889 -4.687 -4.065 1.00 17.61 O ATOM 1208 CB LYS A 515 15.035 -3.816 -4.814 1.00 17.72 C ATOM 1209 CG LYS A 515 13.931 -3.493 -5.820 1.00 24.12 C ATOM 1210 CD LYS A 515 14.456 -3.229 -7.233 1.00 33.88 C ATOM 1211 CE LYS A 515 13.669 -3.995 -8.271 1.00 43.40 C ATOM 1212 NZ LYS A 515 14.312 -3.917 -9.608 1.00 56.08 N ATOM 1213 HZ1 LYS A 515 14.370 -2.922 -9.906 1.00 0.00 H ATOM 1214 HZ2 LYS A 515 15.269 -4.321 -9.555 1.00 0.00 H ATOM 1215 HZ3 LYS A 515 13.745 -4.453 -10.296 1.00 0.00 H ATOM 1216 H LYS A 515 13.879 -6.101 -4.312 1.00 0.00 H ATOM 1217 N GLN A 516 16.725 -6.385 -3.084 1.00 14.68 N ATOM 1218 CA GLN A 516 17.647 -6.753 -1.997 1.00 14.69 C ATOM 1219 C GLN A 516 17.663 -5.632 -0.957 1.00 19.73 C ATOM 1220 O GLN A 516 18.686 -5.376 -0.307 1.00 19.88 O ATOM 1221 CB GLN A 516 19.065 -7.135 -2.493 1.00 16.85 C ATOM 1222 CG GLN A 516 19.118 -8.273 -3.516 1.00 37.05 C ATOM 1223 CD GLN A 516 19.574 -7.788 -4.880 1.00 66.10 C ATOM 1224 OE1 GLN A 516 18.806 -7.764 -5.855 1.00 61.40 O ATOM 1225 NE2 GLN A 516 20.837 -7.384 -4.986 1.00 62.23 N ATOM 1226 HE22 GLN A 516 21.463 -7.412 -4.156 1.00 0.00 H ATOM 1227 HE21 GLN A 516 21.198 -7.040 -5.899 1.00 0.00 H ATOM 1228 H GLN A 516 15.859 -6.955 -3.165 1.00 0.00 H ATOM 1229 N PHE A 517 16.503 -4.965 -0.802 1.00 16.68 N ATOM 1230 CA PHE A 517 16.336 -3.862 0.136 1.00 16.96 C ATOM 1231 C PHE A 517 15.621 -4.384 1.339 1.00 20.94 C ATOM 1232 O PHE A 517 14.521 -4.921 1.209 1.00 21.07 O ATOM 1233 CB PHE A 517 15.566 -2.680 -0.499 1.00 18.91 C ATOM 1234 CG PHE A 517 15.631 -1.377 0.261 1.00 20.38 C ATOM 1235 CD1 PHE A 517 14.889 -1.190 1.423 1.00 22.92 C ATOM 1236 CD2 PHE A 517 16.364 -0.304 -0.228 1.00 24.07 C ATOM 1237 CE1 PHE A 517 14.928 0.028 2.119 1.00 23.17 C ATOM 1238 CE2 PHE A 517 16.385 0.922 0.458 1.00 26.46 C ATOM 1239 CZ PHE A 517 15.666 1.078 1.629 1.00 22.91 C ATOM 1240 H PHE A 517 15.687 -5.251 -1.380 1.00 0.00 H ATOM 1241 N LEU A 518 16.253 -4.238 2.513 1.00 17.62 N ATOM 1242 CA LEU A 518 15.708 -4.682 3.798 1.00 16.74 C ATOM 1243 C LEU A 518 14.969 -3.553 4.431 1.00 23.22 C ATOM 1244 O LEU A 518 15.469 -2.429 4.424 1.00 24.30 O ATOM 1245 CB LEU A 518 16.827 -5.118 4.764 1.00 15.98 C ATOM 1246 CG LEU A 518 17.455 -6.505 4.658 1.00 19.11 C ATOM 1247 CD1 LEU A 518 17.981 -6.904 5.992 1.00 19.56 C ATOM 1248 CD2 LEU A 518 16.478 -7.556 4.210 1.00 17.62 C ATOM 1249 H LEU A 518 17.187 -3.781 2.511 1.00 0.00 H ATOM 1250 N HIS A 519 13.807 -3.851 5.029 1.00 20.54 N ATOM 1251 CA HIS A 519 13.010 -2.856 5.740 1.00 20.07 C ATOM 1252 C HIS A 519 13.635 -2.581 7.125 1.00 23.43 C ATOM 1253 O HIS A 519 13.735 -1.418 7.537 1.00 24.58 O ATOM 1254 CB HIS A 519 11.564 -3.328 5.893 1.00 20.80 C ATOM 1255 CG HIS A 519 10.632 -2.237 6.297 1.00 24.87 C ATOM 1256 ND1 HIS A 519 10.610 -1.741 7.595 1.00 26.84 N ATOM 1257 CD2 HIS A 519 9.711 -1.577 5.562 1.00 27.11 C ATOM 1258 CE1 HIS A 519 9.674 -0.808 7.606 1.00 26.20 C ATOM 1259 NE2 HIS A 519 9.111 -0.668 6.405 1.00 26.77 N ATOM 1260 H HIS A 519 13.459 -4.830 4.985 1.00 0.00 H ATOM 1261 N ARG A 520 14.036 -3.660 7.845 1.00 16.27 N ATOM 1262 CA ARG A 520 14.657 -3.645 9.177 1.00 14.65 C ATOM 1263 C ARG A 520 13.700 -3.279 10.320 1.00 15.66 C ATOM 1264 O ARG A 520 13.995 -3.566 11.471 1.00 14.12 O ATOM 1265 CB ARG A 520 15.912 -2.772 9.232 1.00 15.80 C ATOM 1266 CG ARG A 520 17.011 -3.289 8.342 1.00 26.96 C ATOM 1267 CD ARG A 520 18.265 -2.467 8.456 1.00 26.37 C ATOM 1268 NE ARG A 520 19.430 -3.280 8.108 1.00 20.05 N ATOM 1269 CZ ARG A 520 19.981 -3.341 6.904 1.00 31.12 C ATOM 1270 NH1 ARG A 520 21.028 -4.124 6.689 1.00 10.20 N ATOM 1271 NH2 ARG A 520 19.498 -2.612 5.906 1.00 28.71 N ATOM 1272 HE ARG A 520 19.858 -3.854 8.862 1.00 0.00 H ATOM 1273 HH12 ARG A 520 21.458 -4.169 5.743 1.00 0.00 H ATOM 1274 HH11 ARG A 520 21.420 -4.693 7.466 1.00 0.00 H ATOM 1275 HH22 ARG A 520 19.936 -2.665 4.964 1.00 0.00 H ATOM 1276 HH21 ARG A 520 18.682 -1.988 6.066 1.00 0.00 H ATOM 1277 H ARG A 520 13.889 -4.593 7.409 1.00 0.00 H ATOM 1278 N ASP A 521 12.572 -2.651 10.022 1.00 12.32 N ATOM 1279 CA ASP A 521 11.632 -2.288 11.068 1.00 12.71 C ATOM 1280 C ASP A 521 10.171 -2.422 10.596 1.00 19.53 C ATOM 1281 O ASP A 521 9.371 -1.507 10.778 1.00 21.68 O ATOM 1282 CB ASP A 521 11.954 -0.903 11.650 1.00 14.55 C ATOM 1283 CG ASP A 521 11.310 -0.680 12.997 1.00 22.70 C ATOM 1284 OD1 ASP A 521 11.102 -1.669 13.716 1.00 22.62 O ATOM 1285 OD2 ASP A 521 11.001 0.492 13.325 1.00 28.75 O ATOM 1286 H ASP A 521 12.358 -2.416 9.032 1.00 0.00 H ATOM 1287 N LEU A 522 9.832 -3.561 9.970 1.00 14.58 N ATOM 1288 CA LEU A 522 8.478 -3.800 9.499 1.00 14.36 C ATOM 1289 C LEU A 522 7.558 -4.036 10.708 1.00 16.64 C ATOM 1290 O LEU A 522 7.849 -4.874 11.582 1.00 17.70 O ATOM 1291 CB LEU A 522 8.421 -4.956 8.446 1.00 14.94 C ATOM 1292 CG LEU A 522 7.023 -5.391 7.907 1.00 18.94 C ATOM 1293 CD1 LEU A 522 6.272 -4.243 7.229 1.00 17.77 C ATOM 1294 CD2 LEU A 522 7.146 -6.558 6.975 1.00 22.46 C ATOM 1295 H LEU A 522 10.557 -4.291 9.818 1.00 0.00 H ATOM 1296 N ALA A 523 6.471 -3.254 10.756 1.00 10.06 N ATOM 1297 CA ALA A 523 5.466 -3.252 11.810 1.00 9.99 C ATOM 1298 C ALA A 523 4.300 -2.393 11.341 1.00 16.58 C ATOM 1299 O ALA A 523 4.479 -1.577 10.432 1.00 14.99 O ATOM 1300 CB ALA A 523 6.055 -2.677 13.105 1.00 10.35 C ATOM 1301 H ALA A 523 6.332 -2.588 9.969 1.00 0.00 H ATOM 1302 N ALA A 524 3.101 -2.559 11.968 1.00 17.24 N ATOM 1303 CA ALA A 524 1.894 -1.804 11.611 1.00 18.22 C ATOM 1304 C ALA A 524 2.019 -0.300 11.862 1.00 24.75 C ATOM 1305 O ALA A 524 1.259 0.478 11.297 1.00 24.45 O ATOM 1306 CB ALA A 524 0.691 -2.371 12.332 1.00 19.03 C ATOM 1307 H ALA A 524 3.038 -3.255 12.738 1.00 0.00 H ATOM 1308 N ARG A 525 2.993 0.112 12.674 1.00 23.08 N ATOM 1309 CA ARG A 525 3.256 1.519 12.980 1.00 22.62 C ATOM 1310 C ARG A 525 4.007 2.187 11.813 1.00 26.30 C ATOM 1311 O ARG A 525 3.891 3.391 11.628 1.00 26.21 O ATOM 1312 CB ARG A 525 4.012 1.659 14.312 1.00 20.13 C ATOM 1313 CG ARG A 525 5.305 0.870 14.356 1.00 27.08 C ATOM 1314 CD ARG A 525 6.161 1.138 15.573 1.00 23.48 C ATOM 1315 NE ARG A 525 7.497 0.569 15.381 1.00 20.91 N ATOM 1316 CZ ARG A 525 7.807 -0.706 15.585 1.00 38.85 C ATOM 1317 NH1 ARG A 525 6.887 -1.563 16.012 1.00 27.39 N ATOM 1318 NH2 ARG A 525 9.042 -1.133 15.370 1.00 24.99 N ATOM 1319 HE ARG A 525 8.254 1.207 15.063 1.00 0.00 H ATOM 1320 HH12 ARG A 525 7.138 -2.560 16.169 1.00 0.00 H ATOM 1321 HH11 ARG A 525 5.915 -1.237 16.189 1.00 0.00 H ATOM 1322 HH22 ARG A 525 9.282 -2.132 15.531 1.00 0.00 H ATOM 1323 HH21 ARG A 525 9.772 -0.469 15.041 1.00 0.00 H ATOM 1324 H ARG A 525 3.601 -0.608 13.115 1.00 0.00 H ATOM 1325 N ASN A 526 4.747 1.398 11.022 1.00 22.74 N ATOM 1326 CA ASN A 526 5.501 1.858 9.858 1.00 22.58 C ATOM 1327 C ASN A 526 4.698 1.643 8.549 1.00 27.87 C ATOM 1328 O ASN A 526 5.250 1.736 7.455 1.00 29.32 O ATOM 1329 CB ASN A 526 6.874 1.161 9.819 1.00 19.94 C ATOM 1330 CG ASN A 526 7.854 1.668 10.877 1.00 50.09 C ATOM 1331 OD1 ASN A 526 8.244 2.849 10.898 1.00 46.77 O ATOM 1332 ND2 ASN A 526 8.284 0.793 11.784 1.00 37.75 N ATOM 1333 HD22 ASN A 526 7.950 -0.192 11.756 1.00 0.00 H ATOM 1334 HD21 ASN A 526 8.953 1.094 12.521 1.00 0.00 H ATOM 1335 H ASN A 526 4.788 0.385 11.253 1.00 0.00 H ATOM 1336 N CYS A 527 3.390 1.359 8.679 1.00 22.64 N ATOM 1337 CA CYS A 527 2.468 1.095 7.566 1.00 21.62 C ATOM 1338 C CYS A 527 1.452 2.187 7.522 1.00 22.24 C ATOM 1339 O CYS A 527 0.940 2.571 8.571 1.00 23.22 O ATOM 1340 CB CYS A 527 1.788 -0.269 7.720 1.00 21.63 C ATOM 1341 SG CYS A 527 2.869 -1.679 7.400 1.00 25.23 S ATOM 1342 H CYS A 527 3.001 1.323 9.643 1.00 0.00 H ATOM 1343 N LEU A 528 1.118 2.672 6.326 1.00 15.14 N ATOM 1344 CA LEU A 528 0.141 3.745 6.215 1.00 14.58 C ATOM 1345 C LEU A 528 -1.047 3.348 5.344 1.00 18.69 C ATOM 1346 O LEU A 528 -0.927 2.417 4.544 1.00 19.61 O ATOM 1347 CB LEU A 528 0.776 5.089 5.771 1.00 14.32 C ATOM 1348 CG LEU A 528 1.819 5.717 6.689 1.00 17.09 C ATOM 1349 CD1 LEU A 528 2.716 6.613 5.924 1.00 16.95 C ATOM 1350 CD2 LEU A 528 1.194 6.487 7.799 1.00 19.77 C ATOM 1351 H LEU A 528 1.558 2.282 5.468 1.00 0.00 H ATOM 1352 N VAL A 529 -2.205 4.018 5.552 1.00 13.52 N ATOM 1353 CA VAL A 529 -3.467 3.760 4.862 1.00 13.48 C ATOM 1354 C VAL A 529 -3.947 5.001 4.067 1.00 17.59 C ATOM 1355 O VAL A 529 -3.949 6.115 4.607 1.00 18.60 O ATOM 1356 CB VAL A 529 -4.557 3.224 5.837 1.00 17.21 C ATOM 1357 CG1 VAL A 529 -5.665 2.511 5.076 1.00 17.18 C ATOM 1358 CG2 VAL A 529 -3.974 2.285 6.901 1.00 16.57 C ATOM 1359 H VAL A 529 -2.196 4.779 6.261 1.00 0.00 H ATOM 1360 N ASN A 530 -4.327 4.818 2.783 1.00 12.90 N ATOM 1361 CA ASN A 530 -4.785 5.937 1.969 1.00 13.73 C ATOM 1362 C ASN A 530 -6.320 6.094 1.973 1.00 18.90 C ATOM 1363 O ASN A 530 -7.015 5.244 2.535 1.00 20.04 O ATOM 1364 CB ASN A 530 -4.193 5.891 0.546 1.00 14.87 C ATOM 1365 CG ASN A 530 -4.712 4.890 -0.454 1.00 26.79 C ATOM 1366 OD1 ASN A 530 -5.537 4.022 -0.182 1.00 22.45 O ATOM 1367 ND2 ASN A 530 -4.204 5.002 -1.662 1.00 15.33 N ATOM 1368 HD22 ASN A 530 -3.507 5.746 -1.866 1.00 0.00 H ATOM 1369 HD21 ASN A 530 -4.500 4.346 -2.413 1.00 0.00 H ATOM 1370 H ASN A 530 -4.292 3.864 2.370 1.00 0.00 H ATOM 1371 N ASP A 531 -6.854 7.179 1.355 1.00 16.16 N ATOM 1372 CA ASP A 531 -8.305 7.442 1.280 1.00 16.64 C ATOM 1373 C ASP A 531 -9.161 6.216 0.817 1.00 18.45 C ATOM 1374 O ASP A 531 -10.353 6.144 1.122 1.00 17.87 O ATOM 1375 CB ASP A 531 -8.609 8.683 0.414 1.00 18.60 C ATOM 1376 CG ASP A 531 -8.220 8.594 -1.048 1.00 28.63 C ATOM 1377 OD1 ASP A 531 -7.208 7.919 -1.361 1.00 31.56 O ATOM 1378 OD2 ASP A 531 -8.914 9.202 -1.878 1.00 32.71 O ATOM 1379 H ASP A 531 -6.206 7.861 0.911 1.00 0.00 H ATOM 1380 N GLN A 532 -8.539 5.269 0.105 1.00 14.74 N ATOM 1381 CA GLN A 532 -9.223 4.098 -0.432 1.00 14.19 C ATOM 1382 C GLN A 532 -9.140 2.864 0.460 1.00 18.02 C ATOM 1383 O GLN A 532 -9.729 1.829 0.126 1.00 18.13 O ATOM 1384 CB GLN A 532 -8.751 3.758 -1.864 1.00 15.01 C ATOM 1385 CG GLN A 532 -8.722 4.897 -2.884 1.00 17.05 C ATOM 1386 CD GLN A 532 -9.952 5.764 -2.958 1.00 31.97 C ATOM 1387 OE1 GLN A 532 -11.100 5.364 -2.690 1.00 18.58 O ATOM 1388 NE2 GLN A 532 -9.718 7.001 -3.356 1.00 36.64 N ATOM 1389 HE22 GLN A 532 -8.746 7.303 -3.572 1.00 0.00 H ATOM 1390 HE21 GLN A 532 -10.505 7.674 -3.454 1.00 0.00 H ATOM 1391 H GLN A 532 -7.520 5.373 -0.074 1.00 0.00 H ATOM 1392 N GLY A 533 -8.428 2.974 1.576 1.00 14.87 N ATOM 1393 CA GLY A 533 -8.271 1.877 2.526 1.00 14.44 C ATOM 1394 C GLY A 533 -7.106 0.947 2.237 1.00 18.23 C ATOM 1395 O GLY A 533 -7.032 -0.139 2.826 1.00 21.52 O ATOM 1396 H GLY A 533 -7.962 3.881 1.782 1.00 0.00 H ATOM 1397 N VAL A 534 -6.181 1.365 1.351 1.00 12.15 N ATOM 1398 CA VAL A 534 -5.012 0.590 0.906 1.00 11.26 C ATOM 1399 C VAL A 534 -3.833 0.755 1.878 1.00 17.47 C ATOM 1400 O VAL A 534 -3.593 1.846 2.356 1.00 17.53 O ATOM 1401 CB VAL A 534 -4.637 0.898 -0.576 1.00 12.77 C ATOM 1402 CG1 VAL A 534 -3.507 0.014 -1.083 1.00 12.11 C ATOM 1403 CG2 VAL A 534 -5.844 0.749 -1.479 1.00 12.75 C ATOM 1404 H VAL A 534 -6.304 2.316 0.948 1.00 0.00 H ATOM 1405 N VAL A 535 -3.112 -0.330 2.176 1.00 16.95 N ATOM 1406 CA VAL A 535 -1.971 -0.302 3.092 1.00 17.59 C ATOM 1407 C VAL A 535 -0.660 -0.240 2.302 1.00 23.99 C ATOM 1408 O VAL A 535 -0.381 -1.092 1.460 1.00 23.39 O ATOM 1409 CB VAL A 535 -1.981 -1.439 4.172 1.00 20.43 C ATOM 1410 CG1 VAL A 535 -0.859 -1.256 5.177 1.00 19.16 C ATOM 1411 CG2 VAL A 535 -3.322 -1.507 4.899 1.00 20.43 C ATOM 1412 H VAL A 535 -3.374 -1.236 1.737 1.00 0.00 H ATOM 1413 N LYS A 536 0.143 0.778 2.588 1.00 22.30 N ATOM 1414 CA LYS A 536 1.435 0.937 1.945 1.00 22.32 C ATOM 1415 C LYS A 536 2.554 0.970 2.969 1.00 29.41 C ATOM 1416 O LYS A 536 2.398 1.510 4.073 1.00 30.99 O ATOM 1417 CB LYS A 536 1.469 2.145 1.008 1.00 22.22 C ATOM 1418 CG LYS A 536 0.472 2.050 -0.122 1.00 10.48 C ATOM 1419 CD LYS A 536 0.581 3.225 -1.014 1.00 19.53 C ATOM 1420 CE LYS A 536 -0.515 3.245 -2.037 1.00 23.25 C ATOM 1421 NZ LYS A 536 -0.041 3.916 -3.275 1.00 25.04 N ATOM 1422 HZ1 LYS A 536 0.239 4.893 -3.053 1.00 0.00 H ATOM 1423 HZ2 LYS A 536 0.776 3.398 -3.657 1.00 0.00 H ATOM 1424 HZ3 LYS A 536 -0.807 3.925 -3.978 1.00 0.00 H ATOM 1425 H LYS A 536 -0.162 1.481 3.292 1.00 0.00 H ATOM 1426 N VAL A 537 3.665 0.337 2.610 1.00 24.31 N ATOM 1427 CA VAL A 537 4.846 0.221 3.441 1.00 22.90 C ATOM 1428 C VAL A 537 5.625 1.542 3.438 1.00 27.58 C ATOM 1429 O VAL A 537 5.889 2.117 2.380 1.00 27.99 O ATOM 1430 CB VAL A 537 5.654 -1.023 3.008 1.00 25.46 C ATOM 1431 CG1 VAL A 537 7.108 -0.950 3.451 1.00 25.52 C ATOM 1432 CG2 VAL A 537 4.995 -2.297 3.516 1.00 24.24 C ATOM 1433 H VAL A 537 3.689 -0.105 1.669 1.00 0.00 H ATOM 1434 N SER A 538 5.945 2.025 4.648 1.00 24.41 N ATOM 1435 CA SER A 538 6.629 3.284 4.886 1.00 24.24 C ATOM 1436 C SER A 538 7.873 3.080 5.759 1.00 25.56 C ATOM 1437 O SER A 538 8.034 2.021 6.368 1.00 23.31 O ATOM 1438 CB SER A 538 5.666 4.261 5.551 1.00 30.09 C ATOM 1439 OG SER A 538 6.232 5.554 5.686 1.00 46.01 O ATOM 1440 HG SER A 538 5.577 6.156 6.121 1.00 0.00 H ATOM 1441 H SER A 538 5.684 1.455 5.478 1.00 0.00 H ATOM 1442 N ASP A 539 8.770 4.111 5.788 1.00 21.41 N ATOM 1443 CA ASP A 539 10.015 4.185 6.565 1.00 21.20 C ATOM 1444 C ASP A 539 10.969 3.000 6.345 1.00 26.88 C ATOM 1445 O ASP A 539 11.731 2.642 7.259 1.00 27.10 O ATOM 1446 CB ASP A 539 9.729 4.383 8.069 1.00 22.46 C ATOM 1447 CG ASP A 539 9.011 5.660 8.420 1.00 27.16 C ATOM 1448 OD1 ASP A 539 9.069 6.606 7.621 1.00 29.56 O ATOM 1449 OD2 ASP A 539 8.397 5.715 9.509 1.00 26.84 O ATOM 1450 H ASP A 539 8.546 4.935 5.194 1.00 0.00 H ATOM 1451 N PHE A 540 10.952 2.429 5.120 1.00 23.02 N ATOM 1452 CA PHE A 540 11.781 1.300 4.703 1.00 22.70 C ATOM 1453 C PHE A 540 13.287 1.593 4.856 1.00 28.93 C ATOM 1454 O PHE A 540 13.870 2.338 4.067 1.00 30.45 O ATOM 1455 CB PHE A 540 11.413 0.809 3.274 1.00 24.00 C ATOM 1456 CG PHE A 540 11.066 1.898 2.282 1.00 25.05 C ATOM 1457 CD1 PHE A 540 9.769 2.386 2.183 1.00 27.15 C ATOM 1458 CD2 PHE A 540 12.036 2.435 1.444 1.00 27.14 C ATOM 1459 CE1 PHE A 540 9.454 3.406 1.281 1.00 28.17 C ATOM 1460 CE2 PHE A 540 11.719 3.459 0.539 1.00 30.38 C ATOM 1461 CZ PHE A 540 10.431 3.946 0.473 1.00 27.91 C ATOM 1462 H PHE A 540 10.296 2.825 4.417 1.00 0.00 H ATOM 1463 N GLY A 541 13.871 1.049 5.921 1.00 24.89 N ATOM 1464 CA GLY A 541 15.291 1.183 6.233 1.00 24.20 C ATOM 1465 C GLY A 541 15.732 2.416 6.997 1.00 25.95 C ATOM 1466 O GLY A 541 16.942 2.637 7.109 1.00 25.41 O ATOM 1467 H GLY A 541 13.279 0.494 6.571 1.00 0.00 H ATOM 1468 N LEU A 542 14.775 3.221 7.540 1.00 20.37 N ATOM 1469 CA LEU A 542 15.068 4.453 8.308 1.00 19.79 C ATOM 1470 C LEU A 542 15.672 4.224 9.701 1.00 22.18 C ATOM 1471 O LEU A 542 16.255 5.149 10.279 1.00 22.83 O ATOM 1472 CB LEU A 542 13.839 5.362 8.424 1.00 20.03 C ATOM 1473 CG LEU A 542 13.468 6.179 7.179 1.00 25.40 C ATOM 1474 CD1 LEU A 542 12.365 7.150 7.481 1.00 26.36 C ATOM 1475 CD2 LEU A 542 14.636 6.954 6.677 1.00 26.35 C ATOM 1476 H LEU A 542 13.779 2.954 7.407 1.00 0.00 H ATOM 1477 N SER A 543 15.537 2.991 10.230 1.00 16.46 N ATOM 1478 CA SER A 543 16.088 2.568 11.518 1.00 16.30 C ATOM 1479 C SER A 543 17.645 2.598 11.482 1.00 20.87 C ATOM 1480 O SER A 543 18.286 2.641 12.542 1.00 20.08 O ATOM 1481 CB SER A 543 15.553 1.178 11.896 1.00 20.76 C ATOM 1482 OG SER A 543 15.718 0.199 10.878 1.00 32.66 O ATOM 1483 HG SER A 543 15.352 -0.666 11.191 1.00 0.00 H ATOM 1484 H SER A 543 15.001 2.288 9.682 1.00 0.00 H ATOM 1485 N ARG A 544 18.228 2.608 10.245 1.00 17.03 N ATOM 1486 CA ARG A 544 19.669 2.671 9.988 1.00 16.99 C ATOM 1487 C ARG A 544 20.233 4.051 10.310 1.00 21.88 C ATOM 1488 O ARG A 544 21.434 4.165 10.547 1.00 21.41 O ATOM 1489 CB ARG A 544 19.978 2.381 8.507 1.00 17.07 C ATOM 1490 CG ARG A 544 19.700 0.966 8.034 1.00 23.33 C ATOM 1491 CD ARG A 544 20.034 0.788 6.553 1.00 24.40 C ATOM 1492 NE ARG A 544 19.139 1.551 5.676 1.00 31.93 N ATOM 1493 CZ ARG A 544 19.139 1.471 4.346 1.00 53.23 C ATOM 1494 NH1 ARG A 544 19.991 0.665 3.721 1.00 52.00 N ATOM 1495 NH2 ARG A 544 18.290 2.196 3.632 1.00 29.41 N ATOM 1496 HE ARG A 544 18.458 2.198 6.123 1.00 0.00 H ATOM 1497 HH12 ARG A 544 19.986 0.607 2.683 1.00 0.00 H ATOM 1498 HH11 ARG A 544 20.663 0.092 4.270 1.00 0.00 H ATOM 1499 HH22 ARG A 544 18.294 2.130 2.594 1.00 0.00 H ATOM 1500 HH21 ARG A 544 17.619 2.831 4.110 1.00 0.00 H ATOM 1501 H ARG A 544 17.597 2.568 9.419 1.00 0.00 H ATOM 1502 N TYR A 545 19.377 5.104 10.276 1.00 18.37 N ATOM 1503 CA TYR A 545 19.780 6.509 10.449 1.00 17.48 C ATOM 1504 C TYR A 545 19.277 7.168 11.737 1.00 21.43 C ATOM 1505 O TYR A 545 19.639 8.318 12.023 1.00 21.75 O ATOM 1506 CB TYR A 545 19.352 7.298 9.206 1.00 17.63 C ATOM 1507 CG TYR A 545 19.748 6.554 7.954 1.00 18.79 C ATOM 1508 CD1 TYR A 545 21.087 6.292 7.674 1.00 22.23 C ATOM 1509 CD2 TYR A 545 18.784 6.021 7.099 1.00 17.51 C ATOM 1510 CE1 TYR A 545 21.461 5.553 6.564 1.00 24.69 C ATOM 1511 CE2 TYR A 545 19.150 5.298 5.968 1.00 18.22 C ATOM 1512 CZ TYR A 545 20.494 5.068 5.706 1.00 31.52 C ATOM 1513 OH TYR A 545 20.931 4.356 4.616 1.00 38.50 O ATOM 1514 HH TYR A 545 21.920 4.315 4.625 1.00 0.00 H ATOM 1515 H TYR A 545 18.369 4.905 10.117 1.00 0.00 H ATOM 1516 N VAL A 546 18.487 6.424 12.530 1.00 16.44 N ATOM 1517 CA VAL A 546 17.937 6.919 13.791 1.00 15.32 C ATOM 1518 C VAL A 546 19.038 7.090 14.829 1.00 18.16 C ATOM 1519 O VAL A 546 19.747 6.132 15.111 1.00 17.83 O ATOM 1520 CB VAL A 546 16.762 6.024 14.306 1.00 16.86 C ATOM 1521 CG1 VAL A 546 16.373 6.381 15.738 1.00 15.85 C ATOM 1522 CG2 VAL A 546 15.552 6.126 13.386 1.00 16.09 C ATOM 1523 H VAL A 546 18.257 5.454 12.234 1.00 0.00 H ATOM 1524 N LEU A 547 19.161 8.305 15.396 1.00 15.17 N ATOM 1525 CA LEU A 547 20.097 8.621 16.486 1.00 29.97 C ATOM 1526 C LEU A 547 19.291 8.836 17.768 1.00 73.79 C ATOM 1527 O LEU A 547 19.788 8.582 18.861 1.00 41.86 O ATOM 1528 CB LEU A 547 20.952 9.873 16.197 1.00 29.86 C ATOM 1529 CG LEU A 547 21.671 9.999 14.847 1.00 34.73 C ATOM 1530 CD1 LEU A 547 22.568 11.209 14.837 1.00 35.01 C ATOM 1531 CD2 LEU A 547 22.516 8.778 14.514 1.00 37.88 C ATOM 1532 H LEU A 547 18.554 9.071 15.040 1.00 0.00 H TER 1533 LEU A 547 ATOM 1534 N LYS A 558 13.231 0.942 23.989 1.00 33.74 N ATOM 1535 CA LYS A 558 12.629 1.556 22.796 1.00 33.00 C ATOM 1536 C LYS A 558 12.910 0.808 21.471 1.00 38.04 C ATOM 1537 O LYS A 558 12.454 1.252 20.414 1.00 38.56 O ATOM 1538 CB LYS A 558 13.019 3.036 22.668 1.00 35.05 C ATOM 1539 CG LYS A 558 11.857 3.983 22.957 1.00 44.08 C ATOM 1540 CD LYS A 558 11.752 5.109 21.941 1.00 56.45 C ATOM 1541 CE LYS A 558 10.837 4.794 20.776 1.00 64.87 C ATOM 1542 NZ LYS A 558 10.895 5.862 19.739 1.00 73.01 N ATOM 1543 HZ1 LYS A 558 10.599 6.767 20.158 1.00 0.00 H ATOM 1544 HZ2 LYS A 558 11.869 5.945 19.383 1.00 0.00 H ATOM 1545 HZ3 LYS A 558 10.258 5.617 18.955 1.00 0.00 H ATOM 1546 HN3 LYS A 558 14.264 0.908 23.876 1.00 0.00 H ATOM 1547 HN2 LYS A 558 12.862 -0.023 24.104 1.00 0.00 H ATOM 1548 HN1 LYS A 558 12.991 1.509 24.827 1.00 0.00 H ATOM 1549 N PHE A 559 13.610 -0.334 21.534 1.00 34.26 N ATOM 1550 CA PHE A 559 13.966 -1.163 20.383 1.00 33.90 C ATOM 1551 C PHE A 559 12.773 -2.098 20.009 1.00 37.79 C ATOM 1552 O PHE A 559 12.034 -2.485 20.926 1.00 37.32 O ATOM 1553 CB PHE A 559 15.267 -1.961 20.713 1.00 36.24 C ATOM 1554 CG PHE A 559 15.803 -2.875 19.630 1.00 37.46 C ATOM 1555 CD1 PHE A 559 16.617 -2.378 18.613 1.00 39.56 C ATOM 1556 CD2 PHE A 559 15.475 -4.230 19.612 1.00 38.48 C ATOM 1557 CE1 PHE A 559 17.083 -3.220 17.595 1.00 39.56 C ATOM 1558 CE2 PHE A 559 15.947 -5.068 18.593 1.00 40.29 C ATOM 1559 CZ PHE A 559 16.749 -4.560 17.597 1.00 37.98 C ATOM 1560 H PHE A 559 13.923 -0.654 22.472 1.00 0.00 H ATOM 1561 N PRO A 560 12.567 -2.480 18.701 1.00 33.93 N ATOM 1562 CA PRO A 560 11.434 -3.354 18.358 1.00 32.84 C ATOM 1563 C PRO A 560 11.666 -4.815 18.755 1.00 35.04 C ATOM 1564 O PRO A 560 11.861 -5.673 17.886 1.00 34.91 O ATOM 1565 CB PRO A 560 11.319 -3.176 16.842 1.00 34.04 C ATOM 1566 CG PRO A 560 12.720 -2.972 16.397 1.00 38.52 C ATOM 1567 CD PRO A 560 13.308 -2.099 17.473 1.00 35.16 C ATOM 1568 N VAL A 561 11.642 -5.093 20.078 1.00 29.87 N ATOM 1569 CA VAL A 561 11.807 -6.431 20.660 1.00 28.63 C ATOM 1570 C VAL A 561 10.668 -7.345 20.198 1.00 28.21 C ATOM 1571 O VAL A 561 10.921 -8.474 19.797 1.00 28.06 O ATOM 1572 CB VAL A 561 11.860 -6.365 22.209 1.00 33.42 C ATOM 1573 CG1 VAL A 561 11.786 -7.756 22.827 1.00 33.46 C ATOM 1574 CG2 VAL A 561 13.095 -5.616 22.697 1.00 33.67 C ATOM 1575 H VAL A 561 11.496 -4.299 20.733 1.00 0.00 H ATOM 1576 N ARG A 562 9.428 -6.833 20.220 1.00 21.88 N ATOM 1577 CA ARG A 562 8.194 -7.556 19.882 1.00 20.31 C ATOM 1578 C ARG A 562 8.046 -7.969 18.402 1.00 24.79 C ATOM 1579 O ARG A 562 7.114 -8.713 18.088 1.00 25.01 O ATOM 1580 CB ARG A 562 6.962 -6.770 20.342 1.00 15.61 C ATOM 1581 CG ARG A 562 6.843 -6.710 21.855 1.00 12.11 C ATOM 1582 CD ARG A 562 5.894 -5.618 22.305 1.00 9.31 C ATOM 1583 NE ARG A 562 6.354 -4.937 23.513 1.00 15.03 N ATOM 1584 CZ ARG A 562 6.155 -5.367 24.756 1.00 20.65 C ATOM 1585 NH1 ARG A 562 6.614 -4.670 25.785 1.00 11.93 N ATOM 1586 NH2 ARG A 562 5.515 -6.504 24.978 1.00 7.02 N ATOM 1587 HE ARG A 562 6.878 -4.047 23.392 1.00 0.00 H ATOM 1588 HH12 ARG A 562 6.456 -5.010 26.755 1.00 0.00 H ATOM 1589 HH11 ARG A 562 7.132 -3.783 25.623 1.00 0.00 H ATOM 1590 HH22 ARG A 562 5.363 -6.834 25.953 1.00 0.00 H ATOM 1591 HH21 ARG A 562 5.164 -7.068 24.178 1.00 0.00 H ATOM 1592 H ARG A 562 9.332 -5.836 20.501 1.00 0.00 H ATOM 1593 N TRP A 563 8.967 -7.539 17.511 1.00 20.25 N ATOM 1594 CA TRP A 563 8.947 -7.885 16.073 1.00 18.94 C ATOM 1595 C TRP A 563 10.239 -8.566 15.643 1.00 19.62 C ATOM 1596 O TRP A 563 10.396 -8.893 14.460 1.00 19.50 O ATOM 1597 CB TRP A 563 8.707 -6.620 15.225 1.00 17.80 C ATOM 1598 CG TRP A 563 7.325 -6.075 15.352 1.00 18.79 C ATOM 1599 CD1 TRP A 563 6.279 -6.316 14.519 1.00 21.61 C ATOM 1600 CD2 TRP A 563 6.830 -5.190 16.379 1.00 18.72 C ATOM 1601 NE1 TRP A 563 5.143 -5.700 14.995 1.00 20.76 N ATOM 1602 CE2 TRP A 563 5.459 -4.983 16.124 1.00 22.17 C ATOM 1603 CE3 TRP A 563 7.414 -4.558 17.497 1.00 19.98 C ATOM 1604 CZ2 TRP A 563 4.660 -4.178 16.946 1.00 20.99 C ATOM 1605 CZ3 TRP A 563 6.613 -3.785 18.325 1.00 20.96 C ATOM 1606 CH2 TRP A 563 5.257 -3.602 18.046 1.00 21.22 C ATOM 1607 HE1 TRP A 563 4.197 -5.767 14.568 1.00 0.00 H ATOM 1608 H TRP A 563 9.735 -6.929 17.857 1.00 0.00 H ATOM 1609 N SER A 564 11.175 -8.759 16.601 1.00 14.87 N ATOM 1610 CA SER A 564 12.508 -9.307 16.347 1.00 14.23 C ATOM 1611 C SER A 564 12.630 -10.826 16.454 1.00 18.44 C ATOM 1612 O SER A 564 12.254 -11.370 17.497 1.00 18.58 O ATOM 1613 CB SER A 564 13.535 -8.651 17.254 1.00 14.55 C ATOM 1614 OG SER A 564 13.879 -7.380 16.745 1.00 22.16 O ATOM 1615 HG SER A 564 13.069 -6.813 16.702 1.00 0.00 H ATOM 1616 H SER A 564 10.932 -8.502 17.579 1.00 0.00 H ATOM 1617 N PRO A 565 13.210 -11.528 15.427 1.00 13.42 N ATOM 1618 CA PRO A 565 13.391 -12.992 15.566 1.00 12.82 C ATOM 1619 C PRO A 565 14.444 -13.335 16.643 1.00 15.38 C ATOM 1620 O PRO A 565 15.188 -12.426 17.044 1.00 13.99 O ATOM 1621 CB PRO A 565 13.793 -13.438 14.150 1.00 14.43 C ATOM 1622 CG PRO A 565 14.337 -12.239 13.496 1.00 19.13 C ATOM 1623 CD PRO A 565 13.704 -11.038 14.113 1.00 14.15 C ATOM 1624 N PRO A 566 14.540 -14.602 17.134 1.00 12.49 N ATOM 1625 CA PRO A 566 15.558 -14.930 18.160 1.00 12.70 C ATOM 1626 C PRO A 566 17.008 -14.666 17.767 1.00 20.04 C ATOM 1627 O PRO A 566 17.796 -14.269 18.642 1.00 23.80 O ATOM 1628 CB PRO A 566 15.342 -16.412 18.424 1.00 14.77 C ATOM 1629 CG PRO A 566 13.937 -16.661 18.004 1.00 20.57 C ATOM 1630 CD PRO A 566 13.732 -15.788 16.800 1.00 15.53 C ATOM 1631 N GLU A 567 17.367 -14.861 16.473 1.00 13.32 N ATOM 1632 CA GLU A 567 18.734 -14.645 16.009 1.00 12.91 C ATOM 1633 C GLU A 567 19.136 -13.148 16.092 1.00 18.82 C ATOM 1634 O GLU A 567 20.328 -12.841 16.214 1.00 19.86 O ATOM 1635 CB GLU A 567 18.974 -15.266 14.616 1.00 13.75 C ATOM 1636 CG GLU A 567 18.363 -14.509 13.451 1.00 24.38 C ATOM 1637 CD GLU A 567 16.993 -14.934 12.971 1.00 52.00 C ATOM 1638 OE1 GLU A 567 16.262 -15.602 13.739 1.00 42.89 O ATOM 1639 OE2 GLU A 567 16.655 -14.592 11.813 1.00 53.30 O ATOM 1640 H GLU A 567 16.646 -15.174 15.791 1.00 0.00 H ATOM 1641 N VAL A 568 18.139 -12.232 16.054 1.00 13.36 N ATOM 1642 CA VAL A 568 18.334 -10.787 16.170 1.00 11.92 C ATOM 1643 C VAL A 568 18.451 -10.417 17.669 1.00 19.49 C ATOM 1644 O VAL A 568 19.266 -9.573 18.028 1.00 20.24 O ATOM 1645 CB VAL A 568 17.176 -10.022 15.459 1.00 13.27 C ATOM 1646 CG1 VAL A 568 17.004 -8.605 15.997 1.00 11.77 C ATOM 1647 CG2 VAL A 568 17.360 -10.013 13.946 1.00 12.61 C ATOM 1648 H VAL A 568 17.167 -12.581 15.934 1.00 0.00 H ATOM 1649 N LEU A 569 17.641 -11.049 18.533 1.00 17.79 N ATOM 1650 CA LEU A 569 17.614 -10.768 19.967 1.00 18.58 C ATOM 1651 C LEU A 569 18.908 -11.176 20.712 1.00 26.74 C ATOM 1652 O LEU A 569 19.354 -10.453 21.603 1.00 26.27 O ATOM 1653 CB LEU A 569 16.370 -11.411 20.635 1.00 18.78 C ATOM 1654 CG LEU A 569 14.968 -10.905 20.220 1.00 22.86 C ATOM 1655 CD1 LEU A 569 13.878 -11.831 20.747 1.00 23.56 C ATOM 1656 CD2 LEU A 569 14.699 -9.477 20.736 1.00 23.78 C ATOM 1657 H LEU A 569 16.998 -11.778 18.162 1.00 0.00 H ATOM 1658 N MET A 570 19.502 -12.326 20.360 1.00 26.32 N ATOM 1659 CA MET A 570 20.701 -12.822 21.033 1.00 27.92 C ATOM 1660 C MET A 570 21.995 -12.466 20.326 1.00 31.29 C ATOM 1661 O MET A 570 23.040 -12.405 20.979 1.00 30.53 O ATOM 1662 CB MET A 570 20.633 -14.356 21.171 1.00 31.77 C ATOM 1663 CG MET A 570 19.523 -14.843 22.060 1.00 36.71 C ATOM 1664 SD MET A 570 18.835 -16.407 21.476 1.00 42.28 S ATOM 1665 CE MET A 570 19.830 -17.536 22.414 1.00 40.56 C ATOM 1666 H MET A 570 19.096 -12.884 19.582 1.00 0.00 H ATOM 1667 N TYR A 571 21.954 -12.340 18.983 1.00 28.34 N ATOM 1668 CA TYR A 571 23.155 -12.159 18.160 1.00 28.09 C ATOM 1669 C TYR A 571 23.152 -10.945 17.223 1.00 28.34 C ATOM 1670 O TYR A 571 24.206 -10.649 16.638 1.00 28.02 O ATOM 1671 CB TYR A 571 23.429 -13.457 17.341 1.00 30.05 C ATOM 1672 CG TYR A 571 23.228 -14.736 18.123 1.00 33.30 C ATOM 1673 CD1 TYR A 571 23.995 -15.014 19.252 1.00 36.45 C ATOM 1674 CD2 TYR A 571 22.251 -15.656 17.756 1.00 34.63 C ATOM 1675 CE1 TYR A 571 23.795 -16.173 20.000 1.00 38.32 C ATOM 1676 CE2 TYR A 571 22.053 -16.831 18.487 1.00 36.69 C ATOM 1677 CZ TYR A 571 22.831 -17.084 19.607 1.00 44.13 C ATOM 1678 OH TYR A 571 22.649 -18.224 20.347 1.00 45.73 O ATOM 1679 HH TYR A 571 23.290 -18.232 21.102 1.00 0.00 H ATOM 1680 H TYR A 571 21.029 -12.373 18.510 1.00 0.00 H ATOM 1681 N SER A 572 21.994 -10.250 17.073 1.00 22.15 N ATOM 1682 CA SER A 572 21.806 -9.104 16.159 1.00 20.74 C ATOM 1683 C SER A 572 21.959 -9.536 14.671 1.00 22.75 C ATOM 1684 O SER A 572 22.516 -8.787 13.877 1.00 23.76 O ATOM 1685 CB SER A 572 22.723 -7.925 16.511 1.00 23.49 C ATOM 1686 OG SER A 572 22.751 -7.674 17.906 1.00 34.38 O ATOM 1687 HG SER A 572 23.352 -6.909 18.090 1.00 0.00 H ATOM 1688 H SER A 572 21.178 -10.547 17.645 1.00 0.00 H ATOM 1689 N LYS A 573 21.452 -10.740 14.302 1.00 16.48 N ATOM 1690 CA LYS A 573 21.536 -11.277 12.940 1.00 15.17 C ATOM 1691 C LYS A 573 20.369 -10.876 12.036 1.00 18.36 C ATOM 1692 O LYS A 573 19.378 -11.607 11.946 1.00 18.76 O ATOM 1693 CB LYS A 573 21.713 -12.797 12.944 1.00 17.08 C ATOM 1694 CG LYS A 573 22.212 -13.302 11.595 1.00 29.35 C ATOM 1695 CD LYS A 573 21.877 -14.750 11.322 1.00 39.70 C ATOM 1696 CE LYS A 573 22.097 -15.085 9.869 1.00 53.95 C ATOM 1697 NZ LYS A 573 23.540 -15.191 9.525 1.00 73.12 N ATOM 1698 HZ1 LYS A 573 24.009 -14.284 9.721 1.00 0.00 H ATOM 1699 HZ2 LYS A 573 23.978 -15.940 10.098 1.00 0.00 H ATOM 1700 HZ3 LYS A 573 23.638 -15.423 8.516 1.00 0.00 H ATOM 1701 H LYS A 573 20.977 -11.315 15.027 1.00 0.00 H ATOM 1702 N PHE A 574 20.521 -9.746 11.328 1.00 13.37 N ATOM 1703 CA PHE A 574 19.546 -9.209 10.377 1.00 12.70 C ATOM 1704 C PHE A 574 19.695 -9.850 8.975 1.00 16.67 C ATOM 1705 O PHE A 574 20.801 -10.216 8.564 1.00 14.85 O ATOM 1706 CB PHE A 574 19.625 -7.673 10.313 1.00 14.05 C ATOM 1707 CG PHE A 574 19.445 -7.021 11.669 1.00 16.30 C ATOM 1708 CD1 PHE A 574 18.172 -6.741 12.165 1.00 18.91 C ATOM 1709 CD2 PHE A 574 20.544 -6.741 12.478 1.00 19.50 C ATOM 1710 CE1 PHE A 574 18.005 -6.183 13.440 1.00 19.53 C ATOM 1711 CE2 PHE A 574 20.373 -6.201 13.758 1.00 22.07 C ATOM 1712 CZ PHE A 574 19.104 -5.918 14.226 1.00 19.34 C ATOM 1713 H PHE A 574 21.401 -9.209 11.466 1.00 0.00 H ATOM 1714 N SER A 575 18.558 -10.006 8.268 1.00 13.59 N ATOM 1715 CA SER A 575 18.424 -10.604 6.932 1.00 13.91 C ATOM 1716 C SER A 575 16.976 -10.466 6.402 1.00 17.78 C ATOM 1717 O SER A 575 16.110 -9.878 7.062 1.00 14.55 O ATOM 1718 CB SER A 575 18.803 -12.087 6.961 1.00 17.95 C ATOM 1719 OG SER A 575 18.074 -12.817 7.937 1.00 25.65 O ATOM 1720 HG SER A 575 18.355 -13.766 7.915 1.00 0.00 H ATOM 1721 H SER A 575 17.682 -9.667 8.715 1.00 0.00 H ATOM 1722 N SER A 576 16.713 -11.050 5.212 1.00 16.97 N ATOM 1723 CA SER A 576 15.388 -11.106 4.591 1.00 16.67 C ATOM 1724 C SER A 576 14.460 -11.788 5.585 1.00 19.78 C ATOM 1725 O SER A 576 13.337 -11.324 5.817 1.00 19.35 O ATOM 1726 CB SER A 576 15.433 -11.902 3.286 1.00 22.19 C ATOM 1727 OG SER A 576 16.126 -13.137 3.408 1.00 34.27 O ATOM 1728 HG SER A 576 16.121 -13.604 2.535 1.00 0.00 H ATOM 1729 H SER A 576 17.506 -11.490 4.702 1.00 0.00 H ATOM 1730 N LYS A 577 15.002 -12.832 6.248 1.00 15.21 N ATOM 1731 CA LYS A 577 14.375 -13.661 7.260 1.00 13.99 C ATOM 1732 C LYS A 577 14.121 -12.919 8.585 1.00 16.47 C ATOM 1733 O LYS A 577 13.400 -13.440 9.437 1.00 15.64 O ATOM 1734 CB LYS A 577 15.187 -14.946 7.458 1.00 16.90 C ATOM 1735 CG LYS A 577 15.455 -15.750 6.177 1.00 14.53 C ATOM 1736 CD LYS A 577 14.201 -16.084 5.352 1.00 18.39 C ATOM 1737 CE LYS A 577 14.533 -17.079 4.272 1.00 28.45 C ATOM 1738 NZ LYS A 577 13.442 -17.217 3.280 1.00 27.83 N ATOM 1739 HZ1 LYS A 577 12.577 -17.538 3.760 1.00 0.00 H ATOM 1740 HZ2 LYS A 577 13.267 -16.297 2.828 1.00 0.00 H ATOM 1741 HZ3 LYS A 577 13.718 -17.912 2.558 1.00 0.00 H ATOM 1742 H LYS A 577 15.985 -13.070 6.004 1.00 0.00 H ATOM 1743 N SER A 578 14.663 -11.691 8.753 1.00 11.95 N ATOM 1744 CA SER A 578 14.314 -10.900 9.926 1.00 11.35 C ATOM 1745 C SER A 578 13.004 -10.161 9.553 1.00 15.32 C ATOM 1746 O SER A 578 12.076 -10.124 10.369 1.00 15.70 O ATOM 1747 CB SER A 578 15.438 -9.960 10.344 1.00 14.16 C ATOM 1748 OG SER A 578 15.521 -8.796 9.537 1.00 26.29 O ATOM 1749 HG SER A 578 15.684 -9.059 8.597 1.00 0.00 H ATOM 1750 H SER A 578 15.327 -11.313 8.047 1.00 0.00 H ATOM 1751 N ASP A 579 12.892 -9.672 8.279 1.00 10.97 N ATOM 1752 CA ASP A 579 11.687 -8.998 7.746 1.00 9.75 C ATOM 1753 C ASP A 579 10.527 -9.991 7.633 1.00 12.59 C ATOM 1754 O ASP A 579 9.374 -9.602 7.807 1.00 10.81 O ATOM 1755 CB ASP A 579 11.957 -8.343 6.368 1.00 10.67 C ATOM 1756 CG ASP A 579 12.815 -7.074 6.330 1.00 13.53 C ATOM 1757 OD1 ASP A 579 13.140 -6.524 7.432 1.00 12.66 O ATOM 1758 OD2 ASP A 579 13.159 -6.623 5.202 1.00 11.95 O ATOM 1759 H ASP A 579 13.708 -9.781 7.644 1.00 0.00 H ATOM 1760 N ILE A 580 10.842 -11.281 7.333 1.00 11.60 N ATOM 1761 CA ILE A 580 9.883 -12.390 7.248 1.00 11.26 C ATOM 1762 C ILE A 580 9.244 -12.551 8.625 1.00 18.02 C ATOM 1763 O ILE A 580 8.022 -12.499 8.723 1.00 18.31 O ATOM 1764 CB ILE A 580 10.579 -13.693 6.770 1.00 13.12 C ATOM 1765 CG1 ILE A 580 11.054 -13.612 5.304 1.00 12.73 C ATOM 1766 CG2 ILE A 580 9.717 -14.946 7.014 1.00 13.54 C ATOM 1767 CD1 ILE A 580 10.033 -13.531 4.234 1.00 12.17 C ATOM 1768 H ILE A 580 11.842 -11.499 7.149 1.00 0.00 H ATOM 1769 N TRP A 581 10.068 -12.701 9.687 1.00 16.18 N ATOM 1770 CA TRP A 581 9.560 -12.840 11.040 1.00 16.55 C ATOM 1771 C TRP A 581 8.698 -11.639 11.443 1.00 21.43 C ATOM 1772 O TRP A 581 7.599 -11.838 11.961 1.00 20.05 O ATOM 1773 CB TRP A 581 10.693 -13.026 12.020 1.00 16.15 C ATOM 1774 CG TRP A 581 10.199 -13.061 13.428 1.00 17.73 C ATOM 1775 CD1 TRP A 581 9.657 -12.024 14.138 1.00 20.53 C ATOM 1776 CD2 TRP A 581 10.205 -14.193 14.304 1.00 18.06 C ATOM 1777 NE1 TRP A 581 9.305 -12.447 15.393 1.00 21.04 N ATOM 1778 CE2 TRP A 581 9.656 -13.770 15.535 1.00 22.63 C ATOM 1779 CE3 TRP A 581 10.695 -15.499 14.196 1.00 19.83 C ATOM 1780 CZ2 TRP A 581 9.526 -14.629 16.631 1.00 21.86 C ATOM 1781 CZ3 TRP A 581 10.550 -16.352 15.275 1.00 22.25 C ATOM 1782 CH2 TRP A 581 9.960 -15.918 16.471 1.00 22.84 C ATOM 1783 HE1 TRP A 581 8.847 -11.862 16.121 1.00 0.00 H ATOM 1784 H TRP A 581 11.096 -12.717 9.530 1.00 0.00 H ATOM 1785 N ALA A 582 9.201 -10.402 11.212 1.00 20.47 N ATOM 1786 CA ALA A 582 8.487 -9.159 11.496 1.00 21.10 C ATOM 1787 C ALA A 582 7.108 -9.127 10.813 1.00 26.68 C ATOM 1788 O ALA A 582 6.131 -8.756 11.474 1.00 27.39 O ATOM 1789 CB ALA A 582 9.315 -7.979 11.053 1.00 21.88 C ATOM 1790 H ALA A 582 10.156 -10.333 10.807 1.00 0.00 H ATOM 1791 N PHE A 583 7.033 -9.577 9.512 1.00 22.14 N ATOM 1792 CA PHE A 583 5.809 -9.689 8.689 1.00 20.39 C ATOM 1793 C PHE A 583 4.766 -10.548 9.389 1.00 20.57 C ATOM 1794 O PHE A 583 3.620 -10.123 9.485 1.00 18.31 O ATOM 1795 CB PHE A 583 6.108 -10.223 7.258 1.00 22.03 C ATOM 1796 CG PHE A 583 4.891 -10.281 6.360 1.00 22.96 C ATOM 1797 CD1 PHE A 583 4.376 -9.127 5.785 1.00 25.91 C ATOM 1798 CD2 PHE A 583 4.222 -11.479 6.143 1.00 24.94 C ATOM 1799 CE1 PHE A 583 3.218 -9.168 5.004 1.00 26.24 C ATOM 1800 CE2 PHE A 583 3.067 -11.517 5.356 1.00 27.19 C ATOM 1801 CZ PHE A 583 2.572 -10.361 4.798 1.00 24.65 C ATOM 1802 H PHE A 583 7.926 -9.867 9.065 1.00 0.00 H ATOM 1803 N GLY A 584 5.186 -11.724 9.861 1.00 17.23 N ATOM 1804 CA GLY A 584 4.364 -12.666 10.616 1.00 17.70 C ATOM 1805 C GLY A 584 3.729 -12.012 11.826 1.00 22.21 C ATOM 1806 O GLY A 584 2.516 -12.127 12.001 1.00 22.00 O ATOM 1807 H GLY A 584 6.174 -11.990 9.677 1.00 0.00 H ATOM 1808 N VAL A 585 4.535 -11.244 12.624 1.00 17.94 N ATOM 1809 CA VAL A 585 4.067 -10.465 13.782 1.00 16.52 C ATOM 1810 C VAL A 585 3.067 -9.393 13.305 1.00 19.64 C ATOM 1811 O VAL A 585 2.069 -9.154 13.979 1.00 17.77 O ATOM 1812 CB VAL A 585 5.223 -9.840 14.612 1.00 19.92 C ATOM 1813 CG1 VAL A 585 4.692 -9.071 15.821 1.00 19.85 C ATOM 1814 CG2 VAL A 585 6.215 -10.895 15.082 1.00 20.05 C ATOM 1815 H VAL A 585 5.549 -11.209 12.396 1.00 0.00 H ATOM 1816 N LEU A 586 3.341 -8.758 12.141 1.00 18.46 N ATOM 1817 CA LEU A 586 2.475 -7.728 11.533 1.00 18.88 C ATOM 1818 C LEU A 586 1.112 -8.303 11.079 1.00 18.84 C ATOM 1819 O LEU A 586 0.093 -7.624 11.238 1.00 15.45 O ATOM 1820 CB LEU A 586 3.212 -6.972 10.406 1.00 19.66 C ATOM 1821 CG LEU A 586 2.350 -6.229 9.390 1.00 25.34 C ATOM 1822 CD1 LEU A 586 2.654 -4.780 9.394 1.00 25.19 C ATOM 1823 CD2 LEU A 586 2.503 -6.832 8.002 1.00 29.92 C ATOM 1824 H LEU A 586 4.218 -9.012 11.643 1.00 0.00 H ATOM 1825 N MET A 587 1.101 -9.570 10.577 1.00 15.41 N ATOM 1826 CA MET A 587 -0.102 -10.322 10.180 1.00 14.59 C ATOM 1827 C MET A 587 -0.957 -10.593 11.394 1.00 19.32 C ATOM 1828 O MET A 587 -2.182 -10.513 11.318 1.00 19.73 O ATOM 1829 CB MET A 587 0.271 -11.644 9.534 1.00 16.78 C ATOM 1830 CG MET A 587 0.539 -11.517 8.075 1.00 20.61 C ATOM 1831 SD MET A 587 0.601 -13.126 7.305 1.00 25.79 S ATOM 1832 CE MET A 587 -1.217 -13.561 7.278 1.00 22.50 C ATOM 1833 H MET A 587 2.019 -10.046 10.465 1.00 0.00 H ATOM 1834 N TRP A 588 -0.295 -10.896 12.521 1.00 16.12 N ATOM 1835 CA TRP A 588 -0.894 -11.108 13.832 1.00 15.83 C ATOM 1836 C TRP A 588 -1.468 -9.779 14.323 1.00 17.92 C ATOM 1837 O TRP A 588 -2.601 -9.765 14.759 1.00 18.75 O ATOM 1838 CB TRP A 588 0.153 -11.664 14.814 1.00 15.31 C ATOM 1839 CG TRP A 588 -0.392 -12.011 16.164 1.00 16.78 C ATOM 1840 CD1 TRP A 588 -0.799 -13.241 16.592 1.00 20.06 C ATOM 1841 CD2 TRP A 588 -0.591 -11.117 17.261 1.00 16.55 C ATOM 1842 NE1 TRP A 588 -1.247 -13.166 17.890 1.00 19.53 N ATOM 1843 CE2 TRP A 588 -1.115 -11.876 18.332 1.00 20.45 C ATOM 1844 CE3 TRP A 588 -0.392 -9.742 17.444 1.00 17.87 C ATOM 1845 CZ2 TRP A 588 -1.427 -11.312 19.570 1.00 19.94 C ATOM 1846 CZ3 TRP A 588 -0.710 -9.184 18.675 1.00 19.77 C ATOM 1847 CH2 TRP A 588 -1.229 -9.966 19.718 1.00 20.48 C ATOM 1848 HE1 TRP A 588 -1.625 -13.960 18.446 1.00 0.00 H ATOM 1849 H TRP A 588 0.739 -10.988 12.453 1.00 0.00 H ATOM 1850 N GLU A 589 -0.712 -8.667 14.226 1.00 13.98 N ATOM 1851 CA GLU A 589 -1.149 -7.308 14.618 1.00 13.16 C ATOM 1852 C GLU A 589 -2.493 -6.930 13.961 1.00 16.05 C ATOM 1853 O GLU A 589 -3.399 -6.464 14.654 1.00 13.13 O ATOM 1854 CB GLU A 589 -0.109 -6.261 14.213 1.00 13.82 C ATOM 1855 CG GLU A 589 1.090 -6.148 15.106 1.00 18.86 C ATOM 1856 CD GLU A 589 1.944 -4.974 14.663 1.00 41.86 C ATOM 1857 OE1 GLU A 589 1.793 -3.880 15.254 1.00 33.58 O ATOM 1858 OE2 GLU A 589 2.737 -5.137 13.705 1.00 34.02 O ATOM 1859 H GLU A 589 0.251 -8.772 13.847 1.00 0.00 H ATOM 1860 N ILE A 590 -2.599 -7.161 12.619 1.00 14.37 N ATOM 1861 CA ILE A 590 -3.763 -6.913 11.748 1.00 13.73 C ATOM 1862 C ILE A 590 -4.972 -7.725 12.234 1.00 19.11 C ATOM 1863 O ILE A 590 -5.973 -7.117 12.625 1.00 20.55 O ATOM 1864 CB ILE A 590 -3.385 -7.129 10.237 1.00 16.14 C ATOM 1865 CG1 ILE A 590 -2.473 -5.983 9.743 1.00 17.09 C ATOM 1866 CG2 ILE A 590 -4.609 -7.273 9.326 1.00 15.53 C ATOM 1867 CD1 ILE A 590 -1.620 -6.302 8.510 1.00 30.98 C ATOM 1868 H ILE A 590 -1.758 -7.560 12.156 1.00 0.00 H ATOM 1869 N TYR A 591 -4.852 -9.081 12.278 1.00 13.84 N ATOM 1870 CA TYR A 591 -5.912 -9.986 12.718 1.00 12.81 C ATOM 1871 C TYR A 591 -6.304 -9.824 14.206 1.00 18.96 C ATOM 1872 O TYR A 591 -7.461 -10.094 14.547 1.00 18.79 O ATOM 1873 CB TYR A 591 -5.566 -11.426 12.371 1.00 13.43 C ATOM 1874 CG TYR A 591 -5.916 -11.755 10.934 1.00 15.70 C ATOM 1875 CD1 TYR A 591 -7.205 -12.145 10.583 1.00 17.19 C ATOM 1876 CD2 TYR A 591 -4.974 -11.621 9.914 1.00 17.03 C ATOM 1877 CE1 TYR A 591 -7.540 -12.432 9.262 1.00 17.77 C ATOM 1878 CE2 TYR A 591 -5.295 -11.917 8.587 1.00 17.80 C ATOM 1879 CZ TYR A 591 -6.582 -12.319 8.266 1.00 25.76 C ATOM 1880 OH TYR A 591 -6.930 -12.605 6.967 1.00 26.00 O ATOM 1881 HH TYR A 591 -7.883 -12.873 6.933 1.00 0.00 H ATOM 1882 H TYR A 591 -3.948 -9.499 11.979 1.00 0.00 H ATOM 1883 N SER A 592 -5.373 -9.363 15.068 1.00 16.06 N ATOM 1884 CA SER A 592 -5.653 -9.121 16.486 1.00 16.52 C ATOM 1885 C SER A 592 -6.264 -7.714 16.705 1.00 22.80 C ATOM 1886 O SER A 592 -6.497 -7.311 17.854 1.00 22.74 O ATOM 1887 CB SER A 592 -4.392 -9.305 17.324 1.00 19.15 C ATOM 1888 OG SER A 592 -3.396 -8.366 16.956 1.00 26.66 O ATOM 1889 HG SER A 592 -3.164 -8.489 16.001 1.00 0.00 H ATOM 1890 H SER A 592 -4.415 -9.171 14.710 1.00 0.00 H ATOM 1891 N LEU A 593 -6.540 -6.988 15.581 1.00 19.83 N ATOM 1892 CA LEU A 593 -7.120 -5.642 15.508 1.00 19.23 C ATOM 1893 C LEU A 593 -6.320 -4.574 16.287 1.00 27.14 C ATOM 1894 O LEU A 593 -6.894 -3.840 17.092 1.00 27.15 O ATOM 1895 CB LEU A 593 -8.607 -5.626 15.914 1.00 19.13 C ATOM 1896 CG LEU A 593 -9.600 -6.549 15.175 1.00 23.05 C ATOM 1897 CD1 LEU A 593 -10.884 -6.664 15.946 1.00 23.26 C ATOM 1898 CD2 LEU A 593 -9.911 -6.058 13.772 1.00 23.91 C ATOM 1899 H LEU A 593 -6.313 -7.441 14.673 1.00 0.00 H ATOM 1900 N GLY A 594 -4.999 -4.528 16.045 1.00 24.96 N ATOM 1901 CA GLY A 594 -4.049 -3.583 16.635 1.00 23.93 C ATOM 1902 C GLY A 594 -3.578 -3.911 18.037 1.00 25.95 C ATOM 1903 O GLY A 594 -3.274 -3.007 18.815 1.00 24.18 O ATOM 1904 H GLY A 594 -4.616 -5.228 15.377 1.00 0.00 H ATOM 1905 N LYS A 595 -3.525 -5.198 18.388 1.00 22.87 N ATOM 1906 CA LYS A 595 -3.106 -5.605 19.730 1.00 22.47 C ATOM 1907 C LYS A 595 -1.583 -5.614 19.845 1.00 27.81 C ATOM 1908 O LYS A 595 -0.885 -6.000 18.904 1.00 26.22 O ATOM 1909 CB LYS A 595 -3.699 -6.962 20.093 1.00 23.35 C ATOM 1910 CG LYS A 595 -4.013 -7.130 21.558 1.00 27.98 C ATOM 1911 CD LYS A 595 -4.931 -8.318 21.790 1.00 41.32 C ATOM 1912 CE LYS A 595 -6.390 -8.007 21.513 1.00 56.16 C ATOM 1913 NZ LYS A 595 -7.240 -9.227 21.536 1.00 65.22 N ATOM 1914 HZ1 LYS A 595 -6.908 -9.893 20.810 1.00 0.00 H ATOM 1915 HZ2 LYS A 595 -7.177 -9.674 22.473 1.00 0.00 H ATOM 1916 HZ3 LYS A 595 -8.227 -8.964 21.342 1.00 0.00 H ATOM 1917 H LYS A 595 -3.787 -5.926 17.693 1.00 0.00 H ATOM 1918 N MET A 596 -1.076 -5.177 21.007 1.00 26.68 N ATOM 1919 CA MET A 596 0.353 -5.101 21.291 1.00 27.14 C ATOM 1920 C MET A 596 0.901 -6.520 21.508 1.00 29.60 C ATOM 1921 O MET A 596 0.376 -7.228 22.376 1.00 29.91 O ATOM 1922 CB MET A 596 0.597 -4.169 22.490 1.00 30.44 C ATOM 1923 CG MET A 596 2.001 -3.616 22.557 1.00 34.40 C ATOM 1924 SD MET A 596 2.770 -4.119 24.103 1.00 39.78 S ATOM 1925 CE MET A 596 1.961 -2.973 25.288 1.00 36.98 C ATOM 1926 H MET A 596 -1.740 -4.875 21.748 1.00 0.00 H ATOM 1927 N PRO A 597 1.854 -6.998 20.655 1.00 24.41 N ATOM 1928 CA PRO A 597 2.343 -8.386 20.805 1.00 23.76 C ATOM 1929 C PRO A 597 3.035 -8.603 22.137 1.00 31.61 C ATOM 1930 O PRO A 597 3.824 -7.756 22.536 1.00 32.69 O ATOM 1931 CB PRO A 597 3.304 -8.563 19.629 1.00 24.56 C ATOM 1932 CG PRO A 597 3.035 -7.409 18.708 1.00 28.64 C ATOM 1933 CD PRO A 597 2.570 -6.296 19.569 1.00 24.79 C ATOM 1934 N TYR A 598 2.714 -9.713 22.842 1.00 28.80 N ATOM 1935 CA TYR A 598 3.265 -10.060 24.160 1.00 29.17 C ATOM 1936 C TYR A 598 3.009 -8.907 25.166 1.00 33.94 C ATOM 1937 O TYR A 598 3.901 -8.524 25.912 1.00 32.73 O ATOM 1938 CB TYR A 598 4.773 -10.429 24.063 1.00 30.28 C ATOM 1939 CG TYR A 598 5.178 -11.202 22.822 1.00 30.92 C ATOM 1940 CD1 TYR A 598 4.974 -12.578 22.734 1.00 32.72 C ATOM 1941 CD2 TYR A 598 5.824 -10.572 21.764 1.00 31.22 C ATOM 1942 CE1 TYR A 598 5.363 -13.300 21.604 1.00 32.45 C ATOM 1943 CE2 TYR A 598 6.205 -11.280 20.622 1.00 32.06 C ATOM 1944 CZ TYR A 598 5.982 -12.648 20.551 1.00 39.28 C ATOM 1945 OH TYR A 598 6.368 -13.362 19.438 1.00 40.39 O ATOM 1946 HH TYR A 598 5.902 -13.006 18.641 1.00 0.00 H ATOM 1947 H TYR A 598 2.026 -10.369 22.420 1.00 0.00 H ATOM 1948 N GLU A 599 1.778 -8.349 25.151 1.00 32.45 N ATOM 1949 CA GLU A 599 1.310 -7.230 25.987 1.00 32.80 C ATOM 1950 C GLU A 599 1.509 -7.443 27.494 1.00 39.00 C ATOM 1951 O GLU A 599 1.799 -6.477 28.195 1.00 39.52 O ATOM 1952 CB GLU A 599 -0.156 -6.907 25.677 1.00 33.70 C ATOM 1953 CG GLU A 599 -0.566 -5.482 26.014 1.00 46.92 C ATOM 1954 CD GLU A 599 -2.057 -5.201 25.965 1.00 74.69 C ATOM 1955 OE1 GLU A 599 -2.743 -5.799 25.105 1.00 72.69 O ATOM 1956 OE2 GLU A 599 -2.541 -4.371 26.770 1.00 69.68 O ATOM 1957 H GLU A 599 1.091 -8.751 24.481 1.00 0.00 H ATOM 1958 N ARG A 600 1.378 -8.693 27.985 1.00 37.19 N ATOM 1959 CA ARG A 600 1.558 -9.044 29.398 1.00 39.12 C ATOM 1960 C ARG A 600 2.993 -8.905 29.889 1.00 47.34 C ATOM 1961 O ARG A 600 3.213 -8.871 31.104 1.00 49.20 O ATOM 1962 CB ARG A 600 1.047 -10.470 29.663 1.00 38.40 C ATOM 1963 CG ARG A 600 -0.420 -10.512 30.014 1.00 44.55 C ATOM 1964 CD ARG A 600 -0.903 -11.941 30.133 1.00 45.54 C ATOM 1965 NE ARG A 600 -2.364 -12.034 30.232 1.00 47.19 N ATOM 1966 CZ ARG A 600 -3.174 -12.201 29.192 1.00 59.60 C ATOM 1967 NH1 ARG A 600 -2.679 -12.311 27.965 1.00 50.99 N ATOM 1968 NH2 ARG A 600 -4.485 -12.274 29.372 1.00 43.58 N ATOM 1969 HE ARG A 600 -2.793 -11.965 31.177 1.00 0.00 H ATOM 1970 HH12 ARG A 600 -3.319 -12.442 27.156 1.00 0.00 H ATOM 1971 HH11 ARG A 600 -1.651 -12.267 27.813 1.00 0.00 H ATOM 1972 HH22 ARG A 600 -5.116 -12.405 28.555 1.00 0.00 H ATOM 1973 HH21 ARG A 600 -4.883 -12.201 30.330 1.00 0.00 H ATOM 1974 H ARG A 600 1.134 -9.455 27.320 1.00 0.00 H ATOM 1975 N PHE A 601 3.965 -8.794 28.953 1.00 43.99 N ATOM 1976 CA PHE A 601 5.398 -8.694 29.232 1.00 44.50 C ATOM 1977 C PHE A 601 6.021 -7.338 28.882 1.00 47.06 C ATOM 1978 O PHE A 601 5.548 -6.610 28.007 1.00 46.30 O ATOM 1979 CB PHE A 601 6.167 -9.762 28.434 1.00 46.70 C ATOM 1980 CG PHE A 601 5.670 -11.190 28.456 1.00 49.06 C ATOM 1981 CD1 PHE A 601 5.971 -12.031 29.521 1.00 53.92 C ATOM 1982 CD2 PHE A 601 5.012 -11.729 27.357 1.00 50.60 C ATOM 1983 CE1 PHE A 601 5.559 -13.367 29.513 1.00 55.70 C ATOM 1984 CE2 PHE A 601 4.603 -13.064 27.347 1.00 54.17 C ATOM 1985 CZ PHE A 601 4.876 -13.874 28.424 1.00 53.80 C ATOM 1986 H PHE A 601 3.670 -8.779 27.956 1.00 0.00 H ATOM 1987 N THR A 602 7.142 -7.045 29.534 1.00 42.88 N ATOM 1988 CA THR A 602 7.978 -5.867 29.313 1.00 41.42 C ATOM 1989 C THR A 602 8.894 -6.249 28.158 1.00 42.59 C ATOM 1990 O THR A 602 9.002 -7.439 27.857 1.00 42.63 O ATOM 1991 CB THR A 602 8.850 -5.613 30.567 1.00 43.35 C ATOM 1992 OG1 THR A 602 9.754 -6.707 30.743 1.00 44.29 O ATOM 1993 CG2 THR A 602 8.029 -5.425 31.837 1.00 37.70 C ATOM 1994 HG1 THR A 602 9.238 -7.544 30.861 1.00 0.00 H ATOM 1995 H THR A 602 7.452 -7.714 30.267 1.00 0.00 H ATOM 1996 N ASN A 603 9.600 -5.278 27.564 1.00 36.89 N ATOM 1997 CA ASN A 603 10.557 -5.513 26.482 1.00 35.66 C ATOM 1998 C ASN A 603 11.539 -6.659 26.794 1.00 40.04 C ATOM 1999 O ASN A 603 11.679 -7.555 25.966 1.00 40.64 O ATOM 2000 CB ASN A 603 11.308 -4.229 26.164 1.00 36.93 C ATOM 2001 CG ASN A 603 10.908 -3.547 24.877 1.00 64.02 C ATOM 2002 OD1 ASN A 603 9.759 -3.599 24.430 1.00 62.37 O ATOM 2003 ND2 ASN A 603 11.856 -2.868 24.256 1.00 56.32 N ATOM 2004 HD22 ASN A 603 12.818 -2.838 24.651 1.00 0.00 H ATOM 2005 HD21 ASN A 603 11.641 -2.364 23.372 1.00 0.00 H ATOM 2006 H ASN A 603 9.460 -4.301 27.891 1.00 0.00 H ATOM 2007 N SER A 604 12.159 -6.672 27.999 1.00 35.92 N ATOM 2008 CA SER A 604 13.108 -7.728 28.399 1.00 36.29 C ATOM 2009 C SER A 604 12.470 -9.115 28.618 1.00 39.41 C ATOM 2010 O SER A 604 13.086 -10.145 28.292 1.00 39.60 O ATOM 2011 CB SER A 604 13.915 -7.310 29.627 1.00 41.16 C ATOM 2012 OG SER A 604 13.130 -7.307 30.807 1.00 50.69 O ATOM 2013 HG SER A 604 13.691 -7.031 31.575 1.00 0.00 H ATOM 2014 H SER A 604 11.957 -5.904 28.671 1.00 0.00 H ATOM 2015 N GLU A 605 11.247 -9.138 29.192 1.00 34.12 N ATOM 2016 CA GLU A 605 10.493 -10.367 29.454 1.00 32.59 C ATOM 2017 C GLU A 605 10.048 -10.974 28.130 1.00 36.58 C ATOM 2018 O GLU A 605 10.215 -12.174 27.927 1.00 36.78 O ATOM 2019 CB GLU A 605 9.294 -10.095 30.357 1.00 33.57 C ATOM 2020 CG GLU A 605 9.647 -9.905 31.819 1.00 39.78 C ATOM 2021 CD GLU A 605 8.531 -9.342 32.677 1.00 50.65 C ATOM 2022 OE1 GLU A 605 7.493 -8.931 32.110 1.00 50.19 O ATOM 2023 OE2 GLU A 605 8.694 -9.303 33.918 1.00 28.80 O ATOM 2024 H GLU A 605 10.816 -8.231 29.463 1.00 0.00 H ATOM 2025 N ALA A 606 9.535 -10.131 27.199 1.00 32.75 N ATOM 2026 CA ALA A 606 9.108 -10.553 25.862 1.00 31.44 C ATOM 2027 C ALA A 606 10.303 -11.112 25.079 1.00 37.41 C ATOM 2028 O ALA A 606 10.150 -12.154 24.446 1.00 37.89 O ATOM 2029 CB ALA A 606 8.464 -9.403 25.114 1.00 30.93 C ATOM 2030 H ALA A 606 9.439 -9.126 27.449 1.00 0.00 H ATOM 2031 N ALA A 607 11.505 -10.490 25.200 1.00 34.30 N ATOM 2032 CA ALA A 607 12.729 -10.973 24.528 1.00 34.33 C ATOM 2033 C ALA A 607 13.186 -12.323 25.044 1.00 39.42 C ATOM 2034 O ALA A 607 13.606 -13.158 24.244 1.00 38.96 O ATOM 2035 CB ALA A 607 13.858 -9.967 24.651 1.00 34.90 C ATOM 2036 H ALA A 607 11.566 -9.637 25.791 1.00 0.00 H ATOM 2037 N GLU A 608 13.095 -12.549 26.374 1.00 37.50 N ATOM 2038 CA GLU A 608 13.484 -13.824 26.970 1.00 38.90 C ATOM 2039 C GLU A 608 12.621 -14.962 26.417 1.00 46.42 C ATOM 2040 O GLU A 608 13.182 -15.939 25.926 1.00 46.61 O ATOM 2041 CB GLU A 608 13.431 -13.769 28.501 1.00 40.69 C ATOM 2042 CG GLU A 608 14.021 -15.002 29.162 1.00 48.65 C ATOM 2043 CD GLU A 608 13.801 -15.073 30.658 1.00 76.41 C ATOM 2044 OE1 GLU A 608 14.215 -14.127 31.364 1.00 84.93 O ATOM 2045 OE2 GLU A 608 13.228 -16.084 31.127 1.00 69.76 O ATOM 2046 H GLU A 608 12.737 -11.792 26.991 1.00 0.00 H ATOM 2047 N HIS A 609 11.280 -14.801 26.427 1.00 45.65 N ATOM 2048 CA HIS A 609 10.313 -15.789 25.943 1.00 47.06 C ATOM 2049 C HIS A 609 10.526 -16.183 24.489 1.00 52.45 C ATOM 2050 O HIS A 609 10.541 -17.384 24.199 1.00 53.36 O ATOM 2051 CB HIS A 609 8.872 -15.322 26.188 1.00 48.15 C ATOM 2052 CG HIS A 609 8.434 -15.486 27.611 1.00 52.89 C ATOM 2053 ND1 HIS A 609 7.550 -16.486 27.983 1.00 55.34 N ATOM 2054 CD2 HIS A 609 8.795 -14.790 28.714 1.00 55.39 C ATOM 2055 CE1 HIS A 609 7.393 -16.358 29.291 1.00 55.62 C ATOM 2056 NE2 HIS A 609 8.126 -15.353 29.775 1.00 56.13 N ATOM 2057 H HIS A 609 10.906 -13.908 26.807 1.00 0.00 H ATOM 2058 N ILE A 610 10.737 -15.187 23.590 1.00 48.71 N ATOM 2059 CA ILE A 610 10.980 -15.401 22.151 1.00 48.50 C ATOM 2060 C ILE A 610 12.240 -16.253 21.922 1.00 52.43 C ATOM 2061 O ILE A 610 12.197 -17.192 21.121 1.00 53.18 O ATOM 2062 CB ILE A 610 11.009 -14.085 21.302 1.00 51.15 C ATOM 2063 CG1 ILE A 610 9.807 -13.154 21.588 1.00 50.60 C ATOM 2064 CG2 ILE A 610 11.128 -14.388 19.789 1.00 51.98 C ATOM 2065 CD1 ILE A 610 10.056 -11.663 21.189 1.00 54.59 C ATOM 2066 H ILE A 610 10.727 -14.208 23.940 1.00 0.00 H ATOM 2067 N ALA A 611 13.345 -15.931 22.633 1.00 47.85 N ATOM 2068 CA ALA A 611 14.626 -16.654 22.574 1.00 47.48 C ATOM 2069 C ALA A 611 14.443 -18.136 22.974 1.00 50.86 C ATOM 2070 O ALA A 611 15.112 -19.013 22.425 1.00 50.52 O ATOM 2071 CB ALA A 611 15.640 -15.984 23.491 1.00 48.47 C ATOM 2072 H ALA A 611 13.285 -15.111 23.269 1.00 0.00 H ATOM 2073 N GLN A 612 13.491 -18.401 23.896 1.00 46.55 N ATOM 2074 CA GLN A 612 13.149 -19.734 24.388 1.00 46.38 C ATOM 2075 C GLN A 612 12.190 -20.467 23.433 1.00 48.38 C ATOM 2076 O GLN A 612 12.270 -21.698 23.298 1.00 49.05 O ATOM 2077 CB GLN A 612 12.568 -19.655 25.802 1.00 48.10 C ATOM 2078 CG GLN A 612 13.596 -19.251 26.865 1.00 62.02 C ATOM 2079 CD GLN A 612 13.021 -19.347 28.245 1.00 83.27 C ATOM 2080 OE1 GLN A 612 12.516 -20.393 28.659 1.00 78.75 O ATOM 2081 NE2 GLN A 612 13.106 -18.273 29.014 1.00 82.05 N ATOM 2082 HE22 GLN A 612 13.536 -17.401 28.644 1.00 0.00 H ATOM 2083 HE21 GLN A 612 12.743 -18.301 29.988 1.00 0.00 H ATOM 2084 H GLN A 612 12.961 -17.595 24.285 1.00 0.00 H ATOM 2085 N GLY A 613 11.307 -19.709 22.778 1.00 41.25 N ATOM 2086 CA GLY A 613 10.387 -20.255 21.791 1.00 39.84 C ATOM 2087 C GLY A 613 8.901 -19.978 21.956 1.00 40.92 C ATOM 2088 O GLY A 613 8.090 -20.707 21.380 1.00 39.83 O ATOM 2089 H GLY A 613 11.275 -18.689 22.981 1.00 0.00 H ATOM 2090 N LEU A 614 8.498 -18.953 22.734 1.00 35.14 N ATOM 2091 CA LEU A 614 7.063 -18.669 22.860 1.00 33.63 C ATOM 2092 C LEU A 614 6.594 -17.968 21.593 1.00 36.87 C ATOM 2093 O LEU A 614 7.225 -16.997 21.155 1.00 37.93 O ATOM 2094 CB LEU A 614 6.742 -17.816 24.099 1.00 33.33 C ATOM 2095 CG LEU A 614 5.258 -17.550 24.370 1.00 36.29 C ATOM 2096 CD1 LEU A 614 4.834 -18.124 25.698 1.00 36.74 C ATOM 2097 CD2 LEU A 614 4.959 -16.071 24.325 1.00 37.83 C ATOM 2098 H LEU A 614 9.196 -18.370 23.239 1.00 0.00 H ATOM 2099 N ARG A 615 5.503 -18.461 20.999 1.00 30.87 N ATOM 2100 CA ARG A 615 4.935 -17.861 19.789 1.00 29.34 C ATOM 2101 C ARG A 615 3.581 -17.207 20.080 1.00 32.41 C ATOM 2102 O ARG A 615 2.861 -17.617 21.016 1.00 32.49 O ATOM 2103 CB ARG A 615 4.752 -18.897 18.680 1.00 27.84 C ATOM 2104 CG ARG A 615 5.950 -19.752 18.405 1.00 32.83 C ATOM 2105 CD ARG A 615 7.111 -19.041 17.749 1.00 36.24 C ATOM 2106 NE ARG A 615 7.866 -20.012 16.942 1.00 37.38 N ATOM 2107 CZ ARG A 615 8.592 -21.033 17.398 1.00 37.11 C ATOM 2108 NH1 ARG A 615 8.697 -21.256 18.707 1.00 13.97 N ATOM 2109 NH2 ARG A 615 9.198 -21.853 16.548 1.00 14.97 N ATOM 2110 HE ARG A 615 7.830 -19.889 15.910 1.00 0.00 H ATOM 2111 HH12 ARG A 615 9.265 -22.055 19.054 1.00 0.00 H ATOM 2112 HH11 ARG A 615 8.211 -20.631 19.382 1.00 0.00 H ATOM 2113 HH22 ARG A 615 9.764 -22.649 16.907 1.00 0.00 H ATOM 2114 HH21 ARG A 615 9.107 -21.700 15.523 1.00 0.00 H ATOM 2115 H ARG A 615 5.042 -19.298 21.409 1.00 0.00 H ATOM 2116 N LEU A 616 3.220 -16.215 19.238 1.00 26.57 N ATOM 2117 CA LEU A 616 1.955 -15.485 19.326 1.00 24.64 C ATOM 2118 C LEU A 616 0.736 -16.403 19.047 1.00 27.97 C ATOM 2119 O LEU A 616 0.719 -17.076 18.026 1.00 27.08 O ATOM 2120 CB LEU A 616 1.985 -14.280 18.376 1.00 23.55 C ATOM 2121 CG LEU A 616 2.892 -13.087 18.774 1.00 27.23 C ATOM 2122 CD1 LEU A 616 3.169 -12.185 17.584 1.00 25.88 C ATOM 2123 CD2 LEU A 616 2.282 -12.274 19.900 1.00 27.84 C ATOM 2124 H LEU A 616 3.882 -15.954 18.480 1.00 0.00 H ATOM 2125 N TYR A 617 -0.252 -16.460 19.983 1.00 25.15 N ATOM 2126 CA TYR A 617 -1.477 -17.280 19.905 1.00 24.95 C ATOM 2127 C TYR A 617 -2.276 -16.953 18.645 1.00 28.52 C ATOM 2128 O TYR A 617 -2.100 -15.868 18.079 1.00 28.19 O ATOM 2129 CB TYR A 617 -2.366 -17.083 21.163 1.00 27.12 C ATOM 2130 CG TYR A 617 -2.921 -15.680 21.316 1.00 30.61 C ATOM 2131 CD1 TYR A 617 -4.128 -15.316 20.720 1.00 33.52 C ATOM 2132 CD2 TYR A 617 -2.229 -14.709 22.034 1.00 31.72 C ATOM 2133 CE1 TYR A 617 -4.617 -14.011 20.810 1.00 35.87 C ATOM 2134 CE2 TYR A 617 -2.723 -13.408 22.156 1.00 32.85 C ATOM 2135 CZ TYR A 617 -3.915 -13.062 21.537 1.00 40.61 C ATOM 2136 OH TYR A 617 -4.408 -11.787 21.646 1.00 39.40 O ATOM 2137 HH TYR A 617 -5.260 -11.720 21.146 1.00 0.00 H ATOM 2138 H TYR A 617 -0.132 -15.871 20.832 1.00 0.00 H ATOM 2139 N ARG A 618 -3.191 -17.849 18.232 1.00 24.73 N ATOM 2140 CA ARG A 618 -3.997 -17.574 17.049 1.00 23.94 C ATOM 2141 C ARG A 618 -5.069 -16.502 17.313 1.00 27.51 C ATOM 2142 O ARG A 618 -5.947 -16.720 18.171 1.00 28.29 O ATOM 2143 CB ARG A 618 -4.607 -18.842 16.430 1.00 23.87 C ATOM 2144 CG ARG A 618 -5.328 -18.566 15.097 1.00 27.40 C ATOM 2145 CD ARG A 618 -6.118 -19.746 14.563 1.00 32.22 C ATOM 2146 NE ARG A 618 -7.104 -20.250 15.529 1.00 40.19 N ATOM 2147 CZ ARG A 618 -8.337 -19.770 15.691 1.00 58.45 C ATOM 2148 NH1 ARG A 618 -8.766 -18.756 14.952 1.00 45.14 N ATOM 2149 NH2 ARG A 618 -9.144 -20.293 16.604 1.00 51.02 N ATOM 2150 HE ARG A 618 -6.817 -21.045 16.135 1.00 0.00 H ATOM 2151 HH12 ARG A 618 -9.729 -18.387 15.084 1.00 0.00 H ATOM 2152 HH11 ARG A 618 -8.139 -18.330 14.240 1.00 0.00 H ATOM 2153 HH22 ARG A 618 -10.105 -19.915 16.726 1.00 0.00 H ATOM 2154 HH21 ARG A 618 -8.816 -21.081 17.198 1.00 0.00 H ATOM 2155 H ARG A 618 -3.323 -18.737 18.757 1.00 0.00 H ATOM 2156 N PRO A 619 -5.006 -15.341 16.588 1.00 20.42 N ATOM 2157 CA PRO A 619 -6.059 -14.335 16.746 1.00 19.33 C ATOM 2158 C PRO A 619 -7.344 -14.961 16.225 1.00 24.60 C ATOM 2159 O PRO A 619 -7.320 -15.631 15.181 1.00 25.70 O ATOM 2160 CB PRO A 619 -5.590 -13.179 15.852 1.00 20.59 C ATOM 2161 CG PRO A 619 -4.159 -13.474 15.519 1.00 24.46 C ATOM 2162 CD PRO A 619 -4.062 -14.954 15.521 1.00 20.33 C ATOM 2163 N HIS A 620 -8.443 -14.813 16.974 1.00 19.93 N ATOM 2164 CA HIS A 620 -9.741 -15.390 16.638 1.00 19.80 C ATOM 2165 C HIS A 620 -10.270 -15.093 15.244 1.00 20.29 C ATOM 2166 O HIS A 620 -10.966 -15.933 14.685 1.00 18.55 O ATOM 2167 CB HIS A 620 -10.771 -14.981 17.670 1.00 22.03 C ATOM 2168 CG HIS A 620 -10.573 -15.671 18.979 1.00 26.70 C ATOM 2169 ND1 HIS A 620 -10.321 -14.954 20.138 1.00 29.10 N ATOM 2170 CD2 HIS A 620 -10.565 -16.996 19.264 1.00 29.18 C ATOM 2171 CE1 HIS A 620 -10.195 -15.861 21.093 1.00 29.48 C ATOM 2172 NE2 HIS A 620 -10.333 -17.103 20.614 1.00 29.75 N ATOM 2173 H HIS A 620 -8.368 -14.254 17.847 1.00 0.00 H ATOM 2174 N LEU A 621 -9.940 -13.920 14.677 1.00 16.39 N ATOM 2175 CA LEU A 621 -10.351 -13.541 13.319 1.00 15.58 C ATOM 2176 C LEU A 621 -9.592 -14.285 12.235 1.00 20.02 C ATOM 2177 O LEU A 621 -10.076 -14.364 11.111 1.00 21.28 O ATOM 2178 CB LEU A 621 -10.242 -12.026 13.094 1.00 15.32 C ATOM 2179 CG LEU A 621 -11.303 -11.155 13.796 1.00 19.46 C ATOM 2180 CD1 LEU A 621 -10.871 -9.737 13.815 1.00 19.92 C ATOM 2181 CD2 LEU A 621 -12.667 -11.276 13.145 1.00 17.47 C ATOM 2182 H LEU A 621 -9.366 -13.249 15.226 1.00 0.00 H ATOM 2183 N ALA A 622 -8.412 -14.832 12.560 1.00 15.93 N ATOM 2184 CA ALA A 622 -7.593 -15.568 11.612 1.00 15.81 C ATOM 2185 C ALA A 622 -8.023 -17.044 11.500 1.00 24.50 C ATOM 2186 O ALA A 622 -8.158 -17.738 12.513 1.00 26.42 O ATOM 2187 CB ALA A 622 -6.134 -15.470 12.017 1.00 16.16 C ATOM 2188 H ALA A 622 -8.067 -14.725 13.535 1.00 0.00 H ATOM 2189 N SER A 623 -8.216 -17.532 10.268 1.00 20.33 N ATOM 2190 CA SER A 623 -8.541 -18.940 10.023 1.00 19.90 C ATOM 2191 C SER A 623 -7.259 -19.803 10.226 1.00 25.71 C ATOM 2192 O SER A 623 -6.157 -19.255 10.342 1.00 24.93 O ATOM 2193 CB SER A 623 -9.090 -19.111 8.605 1.00 20.48 C ATOM 2194 OG SER A 623 -8.152 -18.684 7.629 1.00 19.25 O ATOM 2195 HG SER A 623 -8.538 -18.808 6.726 1.00 0.00 H ATOM 2196 H SER A 623 -8.132 -16.888 9.455 1.00 0.00 H ATOM 2197 N GLU A 624 -7.391 -21.140 10.277 1.00 23.90 N ATOM 2198 CA GLU A 624 -6.200 -21.991 10.427 1.00 24.30 C ATOM 2199 C GLU A 624 -5.246 -21.813 9.243 1.00 29.16 C ATOM 2200 O GLU A 624 -4.038 -21.783 9.444 1.00 28.83 O ATOM 2201 CB GLU A 624 -6.558 -23.473 10.632 1.00 25.92 C ATOM 2202 CG GLU A 624 -7.245 -23.778 11.956 1.00 37.47 C ATOM 2203 CD GLU A 624 -6.535 -23.372 13.237 1.00 60.63 C ATOM 2204 OE1 GLU A 624 -5.283 -23.426 13.289 1.00 41.75 O ATOM 2205 OE2 GLU A 624 -7.247 -23.025 14.207 1.00 62.80 O ATOM 2206 H GLU A 624 -8.334 -21.573 10.210 1.00 0.00 H ATOM 2207 N ARG A 625 -5.794 -21.633 8.026 1.00 25.64 N ATOM 2208 CA ARG A 625 -5.011 -21.409 6.820 1.00 25.74 C ATOM 2209 C ARG A 625 -4.213 -20.105 6.910 1.00 29.72 C ATOM 2210 O ARG A 625 -3.065 -20.053 6.468 1.00 31.39 O ATOM 2211 CB ARG A 625 -5.902 -21.449 5.576 1.00 26.22 C ATOM 2212 CG ARG A 625 -6.113 -22.868 5.057 1.00 41.30 C ATOM 2213 CD ARG A 625 -6.800 -22.886 3.707 1.00 56.47 C ATOM 2214 NE ARG A 625 -5.847 -23.008 2.603 1.00 71.22 N ATOM 2215 CZ ARG A 625 -6.174 -22.894 1.318 1.00 92.98 C ATOM 2216 NH1 ARG A 625 -7.430 -22.644 0.962 1.00 77.54 N ATOM 2217 NH2 ARG A 625 -5.247 -23.025 0.378 1.00 88.12 N ATOM 2218 HE ARG A 625 -4.851 -23.196 2.837 1.00 0.00 H ATOM 2219 HH12 ARG A 625 -7.678 -22.556 -0.044 1.00 0.00 H ATOM 2220 HH11 ARG A 625 -8.165 -22.536 1.690 1.00 0.00 H ATOM 2221 HH22 ARG A 625 -5.507 -22.935 -0.625 1.00 0.00 H ATOM 2222 HH21 ARG A 625 -4.260 -23.218 0.644 1.00 0.00 H ATOM 2223 H ARG A 625 -6.831 -21.655 7.944 1.00 0.00 H ATOM 2224 N VAL A 626 -4.795 -19.075 7.538 1.00 24.29 N ATOM 2225 CA VAL A 626 -4.151 -17.763 7.766 1.00 21.98 C ATOM 2226 C VAL A 626 -3.026 -17.931 8.792 1.00 26.38 C ATOM 2227 O VAL A 626 -1.898 -17.562 8.496 1.00 27.14 O ATOM 2228 CB VAL A 626 -5.176 -16.651 8.180 1.00 22.61 C ATOM 2229 CG1 VAL A 626 -4.492 -15.473 8.852 1.00 21.89 C ATOM 2230 CG2 VAL A 626 -5.999 -16.180 6.994 1.00 21.32 C ATOM 2231 H VAL A 626 -5.765 -19.207 7.889 1.00 0.00 H ATOM 2232 N TYR A 627 -3.331 -18.520 9.976 1.00 22.95 N ATOM 2233 CA TYR A 627 -2.378 -18.740 11.063 1.00 22.86 C ATOM 2234 C TYR A 627 -1.185 -19.591 10.643 1.00 25.28 C ATOM 2235 O TYR A 627 -0.089 -19.347 11.136 1.00 25.27 O ATOM 2236 CB TYR A 627 -3.056 -19.292 12.326 1.00 24.96 C ATOM 2237 CG TYR A 627 -2.136 -19.306 13.525 1.00 27.55 C ATOM 2238 CD1 TYR A 627 -1.676 -18.121 14.089 1.00 29.21 C ATOM 2239 CD2 TYR A 627 -1.695 -20.505 14.075 1.00 29.65 C ATOM 2240 CE1 TYR A 627 -0.808 -18.128 15.179 1.00 30.57 C ATOM 2241 CE2 TYR A 627 -0.810 -20.524 15.153 1.00 30.99 C ATOM 2242 CZ TYR A 627 -0.381 -19.332 15.709 1.00 36.08 C ATOM 2243 OH TYR A 627 0.488 -19.354 16.759 1.00 36.20 O ATOM 2244 HH TYR A 627 0.693 -18.426 17.036 1.00 0.00 H ATOM 2245 H TYR A 627 -4.311 -18.837 10.120 1.00 0.00 H ATOM 2246 N THR A 628 -1.379 -20.532 9.698 1.00 19.79 N ATOM 2247 CA THR A 628 -0.320 -21.356 9.123 1.00 18.77 C ATOM 2248 C THR A 628 0.681 -20.458 8.416 1.00 21.76 C ATOM 2249 O THR A 628 1.883 -20.687 8.553 1.00 22.23 O ATOM 2250 CB THR A 628 -0.908 -22.389 8.185 1.00 25.88 C ATOM 2251 OG1 THR A 628 -1.699 -23.281 8.962 1.00 32.85 O ATOM 2252 CG2 THR A 628 0.153 -23.180 7.449 1.00 21.76 C ATOM 2253 HG1 THR A 628 -2.421 -22.774 9.412 1.00 0.00 H ATOM 2254 H THR A 628 -2.349 -20.681 9.355 1.00 0.00 H ATOM 2255 N ILE A 629 0.194 -19.427 7.672 1.00 16.38 N ATOM 2256 CA ILE A 629 1.049 -18.459 6.948 1.00 14.35 C ATOM 2257 C ILE A 629 1.901 -17.655 7.942 1.00 15.64 C ATOM 2258 O ILE A 629 3.131 -17.706 7.851 1.00 13.98 O ATOM 2259 CB ILE A 629 0.241 -17.563 5.949 1.00 15.57 C ATOM 2260 CG1 ILE A 629 -0.435 -18.425 4.846 1.00 15.76 C ATOM 2261 CG2 ILE A 629 1.092 -16.432 5.351 1.00 13.59 C ATOM 2262 CD1 ILE A 629 -1.552 -17.674 4.019 1.00 19.17 C ATOM 2263 H ILE A 629 -0.838 -19.313 7.609 1.00 0.00 H ATOM 2264 N MET A 630 1.257 -16.958 8.910 1.00 12.78 N ATOM 2265 CA MET A 630 1.995 -16.178 9.898 1.00 13.03 C ATOM 2266 C MET A 630 2.871 -17.065 10.792 1.00 18.92 C ATOM 2267 O MET A 630 3.977 -16.663 11.125 1.00 19.51 O ATOM 2268 CB MET A 630 1.094 -15.221 10.706 1.00 14.30 C ATOM 2269 CG MET A 630 0.249 -15.874 11.760 1.00 17.75 C ATOM 2270 SD MET A 630 -0.739 -14.671 12.679 1.00 21.90 S ATOM 2271 CE MET A 630 -2.309 -14.759 11.759 1.00 18.60 C ATOM 2272 H MET A 630 0.218 -16.980 8.949 1.00 0.00 H ATOM 2273 N TYR A 631 2.433 -18.284 11.102 1.00 17.25 N ATOM 2274 CA TYR A 631 3.213 -19.210 11.922 1.00 18.79 C ATOM 2275 C TYR A 631 4.440 -19.755 11.188 1.00 22.39 C ATOM 2276 O TYR A 631 5.396 -20.160 11.851 1.00 23.09 O ATOM 2277 CB TYR A 631 2.323 -20.334 12.494 1.00 21.45 C ATOM 2278 CG TYR A 631 3.018 -21.244 13.485 1.00 24.37 C ATOM 2279 CD1 TYR A 631 3.226 -20.845 14.804 1.00 26.12 C ATOM 2280 CD2 TYR A 631 3.460 -22.512 13.106 1.00 25.21 C ATOM 2281 CE1 TYR A 631 3.872 -21.683 15.717 1.00 26.63 C ATOM 2282 CE2 TYR A 631 4.121 -23.349 14.005 1.00 26.16 C ATOM 2283 CZ TYR A 631 4.317 -22.934 15.310 1.00 29.00 C ATOM 2284 OH TYR A 631 4.953 -23.767 16.189 1.00 28.87 O ATOM 2285 HH TYR A 631 5.014 -23.327 17.074 1.00 0.00 H ATOM 2286 H TYR A 631 1.503 -18.588 10.748 1.00 0.00 H ATOM 2287 N SER A 632 4.443 -19.720 9.836 1.00 18.18 N ATOM 2288 CA SER A 632 5.586 -20.164 9.045 1.00 18.46 C ATOM 2289 C SER A 632 6.680 -19.075 9.011 1.00 26.26 C ATOM 2290 O SER A 632 7.809 -19.335 8.601 1.00 28.57 O ATOM 2291 CB SER A 632 5.161 -20.603 7.647 1.00 20.14 C ATOM 2292 OG SER A 632 4.984 -19.526 6.745 1.00 26.81 O ATOM 2293 HG SER A 632 4.283 -18.919 7.091 1.00 0.00 H ATOM 2294 H SER A 632 3.600 -19.364 9.342 1.00 0.00 H ATOM 2295 N CYS A 633 6.360 -17.871 9.486 1.00 22.42 N ATOM 2296 CA CYS A 633 7.304 -16.761 9.584 1.00 22.01 C ATOM 2297 C CYS A 633 8.122 -16.883 10.852 1.00 24.17 C ATOM 2298 O CYS A 633 9.132 -16.188 10.989 1.00 24.42 O ATOM 2299 CB CYS A 633 6.560 -15.430 9.566 1.00 22.01 C ATOM 2300 SG CYS A 633 5.831 -15.000 7.964 1.00 26.27 S ATOM 2301 H CYS A 633 5.383 -17.713 9.805 1.00 0.00 H ATOM 2302 N TRP A 634 7.643 -17.682 11.821 1.00 19.81 N ATOM 2303 CA TRP A 634 8.237 -17.753 13.154 1.00 19.85 C ATOM 2304 C TRP A 634 9.046 -18.987 13.426 1.00 27.50 C ATOM 2305 O TRP A 634 9.266 -19.339 14.594 1.00 28.41 O ATOM 2306 CB TRP A 634 7.178 -17.548 14.250 1.00 17.79 C ATOM 2307 CG TRP A 634 6.301 -16.337 14.056 1.00 17.11 C ATOM 2308 CD1 TRP A 634 6.658 -15.119 13.542 1.00 19.16 C ATOM 2309 CD2 TRP A 634 4.925 -16.237 14.403 1.00 16.57 C ATOM 2310 NE1 TRP A 634 5.574 -14.286 13.509 1.00 17.91 N ATOM 2311 CE2 TRP A 634 4.502 -14.934 14.069 1.00 19.63 C ATOM 2312 CE3 TRP A 634 3.999 -17.128 14.972 1.00 18.28 C ATOM 2313 CZ2 TRP A 634 3.189 -14.508 14.265 1.00 18.55 C ATOM 2314 CZ3 TRP A 634 2.696 -16.709 15.159 1.00 19.06 C ATOM 2315 CH2 TRP A 634 2.302 -15.416 14.803 1.00 19.14 C ATOM 2316 HE1 TRP A 634 5.564 -13.320 13.123 1.00 0.00 H ATOM 2317 H TRP A 634 6.814 -18.275 11.613 1.00 0.00 H ATOM 2318 N HIS A 635 9.575 -19.595 12.372 1.00 25.38 N ATOM 2319 CA HIS A 635 10.432 -20.756 12.486 1.00 25.75 C ATOM 2320 C HIS A 635 11.744 -20.386 13.186 1.00 26.45 C ATOM 2321 O HIS A 635 12.332 -19.367 12.842 1.00 24.07 O ATOM 2322 CB HIS A 635 10.689 -21.309 11.080 1.00 28.04 C ATOM 2323 CG HIS A 635 9.589 -22.194 10.578 1.00 32.80 C ATOM 2324 ND1 HIS A 635 8.821 -22.980 11.451 1.00 35.13 N ATOM 2325 CD2 HIS A 635 9.190 -22.437 9.306 1.00 35.22 C ATOM 2326 CE1 HIS A 635 7.968 -23.638 10.682 1.00 34.88 C ATOM 2327 NE2 HIS A 635 8.150 -23.346 9.384 1.00 35.26 N ATOM 2328 H HIS A 635 9.365 -19.222 11.424 1.00 0.00 H ATOM 2329 N GLU A 636 12.189 -21.189 14.179 1.00 23.73 N ATOM 2330 CA GLU A 636 13.477 -20.982 14.868 1.00 24.20 C ATOM 2331 C GLU A 636 14.625 -20.959 13.822 1.00 27.30 C ATOM 2332 O GLU A 636 15.537 -20.125 13.920 1.00 26.63 O ATOM 2333 CB GLU A 636 13.737 -22.088 15.910 1.00 26.49 C ATOM 2334 CG GLU A 636 15.168 -22.135 16.434 1.00 34.91 C ATOM 2335 CD GLU A 636 15.694 -23.508 16.818 1.00 55.84 C ATOM 2336 OE1 GLU A 636 15.347 -24.500 16.134 1.00 50.23 O ATOM 2337 OE2 GLU A 636 16.463 -23.589 17.805 1.00 43.75 O ATOM 2338 H GLU A 636 11.595 -21.991 14.471 1.00 0.00 H ATOM 2339 N LYS A 637 14.559 -21.877 12.828 1.00 23.08 N ATOM 2340 CA LYS A 637 15.558 -21.948 11.762 1.00 22.58 C ATOM 2341 C LYS A 637 15.156 -20.988 10.634 1.00 23.25 C ATOM 2342 O LYS A 637 14.233 -21.276 9.869 1.00 22.01 O ATOM 2343 CB LYS A 637 15.773 -23.404 11.279 1.00 25.05 C ATOM 2344 CG LYS A 637 17.023 -24.097 11.831 1.00 21.64 C ATOM 2345 CD LYS A 637 16.831 -24.685 13.239 1.00 29.52 C ATOM 2346 CE LYS A 637 18.059 -24.478 14.116 1.00 42.59 C ATOM 2347 NZ LYS A 637 18.363 -25.654 14.984 1.00 45.36 N ATOM 2348 HZ1 LYS A 637 17.554 -25.839 15.611 1.00 0.00 H ATOM 2349 HZ2 LYS A 637 18.538 -26.488 14.387 1.00 0.00 H ATOM 2350 HZ3 LYS A 637 19.208 -25.452 15.556 1.00 0.00 H ATOM 2351 H LYS A 637 13.770 -22.555 12.823 1.00 0.00 H ATOM 2352 N ALA A 638 15.835 -19.832 10.567 1.00 17.67 N ATOM 2353 CA ALA A 638 15.560 -18.778 9.596 1.00 17.06 C ATOM 2354 C ALA A 638 15.460 -19.270 8.150 1.00 22.59 C ATOM 2355 O ALA A 638 14.596 -18.808 7.420 1.00 21.69 O ATOM 2356 CB ALA A 638 16.582 -17.651 9.724 1.00 17.96 C ATOM 2357 H ALA A 638 16.605 -19.678 11.249 1.00 0.00 H ATOM 2358 N ASP A 639 16.292 -20.242 7.753 1.00 22.24 N ATOM 2359 CA ASP A 639 16.284 -20.855 6.410 1.00 23.07 C ATOM 2360 C ASP A 639 14.956 -21.552 6.097 1.00 30.22 C ATOM 2361 O ASP A 639 14.576 -21.631 4.920 1.00 32.18 O ATOM 2362 CB ASP A 639 17.463 -21.836 6.234 1.00 25.67 C ATOM 2363 CG ASP A 639 17.903 -22.556 7.505 1.00 36.91 C ATOM 2364 OD1 ASP A 639 18.486 -21.887 8.400 1.00 39.67 O ATOM 2365 OD2 ASP A 639 17.667 -23.782 7.606 1.00 38.95 O ATOM 2366 H ASP A 639 16.993 -20.589 8.439 1.00 0.00 H ATOM 2367 N GLU A 640 14.248 -22.054 7.153 1.00 25.71 N ATOM 2368 CA GLU A 640 12.949 -22.718 7.027 1.00 25.13 C ATOM 2369 C GLU A 640 11.788 -21.730 6.808 1.00 26.63 C ATOM 2370 O GLU A 640 10.709 -22.138 6.376 1.00 25.94 O ATOM 2371 CB GLU A 640 12.687 -23.619 8.229 1.00 27.19 C ATOM 2372 CG GLU A 640 13.543 -24.872 8.204 1.00 40.94 C ATOM 2373 CD GLU A 640 13.307 -25.786 9.381 1.00 61.52 C ATOM 2374 OE1 GLU A 640 12.211 -25.708 9.987 1.00 45.35 O ATOM 2375 OE2 GLU A 640 14.211 -26.601 9.682 1.00 52.00 O ATOM 2376 H GLU A 640 14.657 -21.958 8.104 1.00 0.00 H ATOM 2377 N ARG A 641 12.016 -20.432 7.091 1.00 22.05 N ATOM 2378 CA ARG A 641 11.038 -19.364 6.892 1.00 19.78 C ATOM 2379 C ARG A 641 10.897 -19.102 5.382 1.00 21.44 C ATOM 2380 O ARG A 641 11.909 -18.997 4.688 1.00 19.33 O ATOM 2381 CB ARG A 641 11.482 -18.070 7.603 1.00 18.10 C ATOM 2382 CG ARG A 641 11.481 -18.143 9.119 1.00 18.62 C ATOM 2383 CD ARG A 641 12.202 -16.951 9.731 1.00 10.53 C ATOM 2384 NE ARG A 641 12.691 -17.272 11.073 1.00 11.06 N ATOM 2385 CZ ARG A 641 13.549 -16.538 11.775 1.00 22.87 C ATOM 2386 NH1 ARG A 641 14.013 -15.400 11.283 1.00 16.82 N ATOM 2387 NH2 ARG A 641 13.937 -16.930 12.987 1.00 11.09 N ATOM 2388 HE ARG A 641 12.338 -18.146 11.513 1.00 0.00 H ATOM 2389 HH12 ARG A 641 14.684 -14.830 11.836 1.00 0.00 H ATOM 2390 HH11 ARG A 641 13.707 -15.076 10.343 1.00 0.00 H ATOM 2391 HH22 ARG A 641 14.608 -16.351 13.531 1.00 0.00 H ATOM 2392 HH21 ARG A 641 13.569 -17.815 13.390 1.00 0.00 H ATOM 2393 H ARG A 641 12.947 -20.174 7.475 1.00 0.00 H ATOM 2394 N PRO A 642 9.653 -18.972 4.862 1.00 18.94 N ATOM 2395 CA PRO A 642 9.458 -18.715 3.413 1.00 19.00 C ATOM 2396 C PRO A 642 9.908 -17.321 2.961 1.00 22.67 C ATOM 2397 O PRO A 642 10.188 -16.469 3.813 1.00 21.88 O ATOM 2398 CB PRO A 642 7.942 -18.833 3.262 1.00 20.04 C ATOM 2399 CG PRO A 642 7.415 -18.371 4.604 1.00 23.39 C ATOM 2400 CD PRO A 642 8.352 -19.054 5.555 1.00 19.51 C ATOM 2401 N SER A 643 9.962 -17.075 1.628 1.00 18.73 N ATOM 2402 CA SER A 643 10.313 -15.741 1.111 1.00 17.71 C ATOM 2403 C SER A 643 9.005 -14.980 0.934 1.00 23.32 C ATOM 2404 O SER A 643 7.929 -15.576 1.036 1.00 22.45 O ATOM 2405 CB SER A 643 11.078 -15.822 -0.211 1.00 18.01 C ATOM 2406 OG SER A 643 10.330 -16.419 -1.258 1.00 23.74 O ATOM 2407 HG SER A 643 10.878 -16.442 -2.082 1.00 0.00 H ATOM 2408 H SER A 643 9.752 -17.843 0.959 1.00 0.00 H ATOM 2409 N PHE A 644 9.078 -13.679 0.658 1.00 21.36 N ATOM 2410 CA PHE A 644 7.865 -12.905 0.441 1.00 21.13 C ATOM 2411 C PHE A 644 7.112 -13.385 -0.807 1.00 29.83 C ATOM 2412 O PHE A 644 5.879 -13.279 -0.844 1.00 30.64 O ATOM 2413 CB PHE A 644 8.150 -11.395 0.443 1.00 21.43 C ATOM 2414 CG PHE A 644 8.506 -10.873 1.821 1.00 21.06 C ATOM 2415 CD1 PHE A 644 7.543 -10.766 2.814 1.00 21.65 C ATOM 2416 CD2 PHE A 644 9.810 -10.512 2.131 1.00 21.98 C ATOM 2417 CE1 PHE A 644 7.878 -10.293 4.082 1.00 21.39 C ATOM 2418 CE2 PHE A 644 10.141 -10.046 3.404 1.00 22.93 C ATOM 2419 CZ PHE A 644 9.174 -9.940 4.367 1.00 20.00 C ATOM 2420 H PHE A 644 10.006 -13.214 0.597 1.00 0.00 H ATOM 2421 N LYS A 645 7.843 -13.998 -1.777 1.00 28.31 N ATOM 2422 CA LYS A 645 7.274 -14.562 -3.006 1.00 29.17 C ATOM 2423 C LYS A 645 6.397 -15.755 -2.655 1.00 33.17 C ATOM 2424 O LYS A 645 5.279 -15.829 -3.161 1.00 33.73 O ATOM 2425 CB LYS A 645 8.379 -14.949 -4.006 1.00 32.37 C ATOM 2426 CG LYS A 645 7.874 -15.047 -5.447 1.00 43.46 C ATOM 2427 CD LYS A 645 9.007 -15.109 -6.475 1.00 51.44 C ATOM 2428 CE LYS A 645 9.502 -13.743 -6.915 1.00 58.53 C ATOM 2429 NZ LYS A 645 10.718 -13.841 -7.767 1.00 64.08 N ATOM 2430 HZ1 LYS A 645 11.478 -14.307 -7.232 1.00 0.00 H ATOM 2431 HZ2 LYS A 645 10.500 -14.398 -8.618 1.00 0.00 H ATOM 2432 HZ3 LYS A 645 11.023 -12.886 -8.045 1.00 0.00 H ATOM 2433 H LYS A 645 8.871 -14.071 -1.638 1.00 0.00 H ATOM 2434 N ILE A 646 6.890 -16.645 -1.750 1.00 28.76 N ATOM 2435 CA ILE A 646 6.194 -17.836 -1.230 1.00 28.06 C ATOM 2436 C ILE A 646 4.971 -17.399 -0.409 1.00 31.83 C ATOM 2437 O ILE A 646 3.893 -17.951 -0.614 1.00 31.55 O ATOM 2438 CB ILE A 646 7.117 -18.728 -0.352 1.00 30.80 C ATOM 2439 CG1 ILE A 646 8.453 -19.135 -1.074 1.00 32.39 C ATOM 2440 CG2 ILE A 646 6.353 -19.937 0.193 1.00 29.46 C ATOM 2441 CD1 ILE A 646 8.428 -20.293 -2.088 1.00 43.24 C ATOM 2442 H ILE A 646 7.850 -16.467 -1.391 1.00 0.00 H ATOM 2443 N LEU A 647 5.148 -16.424 0.525 1.00 26.40 N ATOM 2444 CA LEU A 647 4.083 -15.893 1.378 1.00 24.57 C ATOM 2445 C LEU A 647 2.917 -15.341 0.562 1.00 26.47 C ATOM 2446 O LEU A 647 1.762 -15.707 0.809 1.00 26.29 O ATOM 2447 CB LEU A 647 4.635 -14.797 2.299 1.00 24.59 C ATOM 2448 CG LEU A 647 5.477 -15.268 3.467 1.00 29.40 C ATOM 2449 CD1 LEU A 647 6.417 -14.178 3.921 1.00 29.04 C ATOM 2450 CD2 LEU A 647 4.609 -15.709 4.604 1.00 31.44 C ATOM 2451 H LEU A 647 6.104 -16.030 0.640 1.00 0.00 H ATOM 2452 N LEU A 648 3.220 -14.462 -0.412 1.00 21.53 N ATOM 2453 CA LEU A 648 2.226 -13.867 -1.304 1.00 20.48 C ATOM 2454 C LEU A 648 1.402 -14.974 -2.006 1.00 23.82 C ATOM 2455 O LEU A 648 0.177 -14.951 -1.938 1.00 23.00 O ATOM 2456 CB LEU A 648 2.913 -12.925 -2.323 1.00 20.58 C ATOM 2457 CG LEU A 648 2.021 -12.272 -3.384 1.00 25.04 C ATOM 2458 CD1 LEU A 648 1.259 -11.067 -2.814 1.00 24.70 C ATOM 2459 CD2 LEU A 648 2.818 -11.860 -4.553 1.00 26.38 C ATOM 2460 H LEU A 648 4.216 -14.191 -0.537 1.00 0.00 H ATOM 2461 N SER A 649 2.077 -15.961 -2.616 1.00 20.76 N ATOM 2462 CA SER A 649 1.417 -17.080 -3.278 1.00 22.03 C ATOM 2463 C SER A 649 0.379 -17.727 -2.330 1.00 28.20 C ATOM 2464 O SER A 649 -0.760 -17.983 -2.733 1.00 30.05 O ATOM 2465 CB SER A 649 2.454 -18.100 -3.735 1.00 25.85 C ATOM 2466 OG SER A 649 1.868 -19.370 -3.965 1.00 39.08 O ATOM 2467 HG SER A 649 2.567 -20.006 -4.259 1.00 0.00 H ATOM 2468 H SER A 649 3.116 -15.926 -2.616 1.00 0.00 H ATOM 2469 N ASN A 650 0.769 -17.935 -1.066 1.00 23.09 N ATOM 2470 CA ASN A 650 -0.065 -18.525 -0.026 1.00 21.97 C ATOM 2471 C ASN A 650 -1.223 -17.607 0.350 1.00 24.50 C ATOM 2472 O ASN A 650 -2.331 -18.102 0.560 1.00 24.03 O ATOM 2473 CB ASN A 650 0.790 -18.893 1.192 1.00 20.50 C ATOM 2474 CG ASN A 650 1.951 -19.805 0.862 1.00 39.29 C ATOM 2475 OD1 ASN A 650 1.873 -20.697 0.000 1.00 34.48 O ATOM 2476 ND2 ASN A 650 3.066 -19.590 1.535 1.00 31.78 N ATOM 2477 HD22 ASN A 650 3.104 -18.837 2.251 1.00 0.00 H ATOM 2478 HD21 ASN A 650 3.906 -20.174 1.349 1.00 0.00 H ATOM 2479 H ASN A 650 1.737 -17.655 -0.808 1.00 0.00 H ATOM 2480 N ILE A 651 -0.980 -16.276 0.416 1.00 20.60 N ATOM 2481 CA ILE A 651 -2.044 -15.299 0.715 1.00 19.94 C ATOM 2482 C ILE A 651 -3.113 -15.364 -0.402 1.00 24.35 C ATOM 2483 O ILE A 651 -4.282 -15.597 -0.103 1.00 23.79 O ATOM 2484 CB ILE A 651 -1.493 -13.873 1.011 1.00 22.57 C ATOM 2485 CG1 ILE A 651 -0.650 -13.881 2.320 1.00 23.00 C ATOM 2486 CG2 ILE A 651 -2.625 -12.837 1.108 1.00 22.34 C ATOM 2487 CD1 ILE A 651 0.365 -12.714 2.516 1.00 27.61 C ATOM 2488 H ILE A 651 -0.013 -15.932 0.251 1.00 0.00 H ATOM 2489 N LEU A 652 -2.679 -15.286 -1.680 1.00 21.38 N ATOM 2490 CA LEU A 652 -3.520 -15.386 -2.877 1.00 21.10 C ATOM 2491 C LEU A 652 -4.298 -16.679 -2.966 1.00 27.40 C ATOM 2492 O LEU A 652 -5.399 -16.680 -3.505 1.00 27.69 O ATOM 2493 CB LEU A 652 -2.703 -15.184 -4.160 1.00 21.67 C ATOM 2494 CG LEU A 652 -2.084 -13.804 -4.377 1.00 25.34 C ATOM 2495 CD1 LEU A 652 -1.131 -13.825 -5.558 1.00 26.08 C ATOM 2496 CD2 LEU A 652 -3.155 -12.721 -4.561 1.00 24.66 C ATOM 2497 H LEU A 652 -1.659 -15.143 -1.827 1.00 0.00 H ATOM 2498 N ASP A 653 -3.734 -17.784 -2.458 1.00 26.78 N ATOM 2499 CA ASP A 653 -4.444 -19.067 -2.434 1.00 28.34 C ATOM 2500 C ASP A 653 -5.626 -18.963 -1.478 1.00 33.17 C ATOM 2501 O ASP A 653 -6.756 -19.233 -1.869 1.00 32.57 O ATOM 2502 CB ASP A 653 -3.517 -20.218 -2.003 1.00 31.05 C ATOM 2503 CG ASP A 653 -2.562 -20.710 -3.069 1.00 47.76 C ATOM 2504 OD1 ASP A 653 -2.562 -20.133 -4.185 1.00 49.34 O ATOM 2505 OD2 ASP A 653 -1.814 -21.678 -2.792 1.00 57.50 O ATOM 2506 H ASP A 653 -2.770 -17.730 -2.072 1.00 0.00 H ATOM 2507 N VAL A 654 -5.358 -18.463 -0.258 1.00 31.02 N ATOM 2508 CA VAL A 654 -6.317 -18.292 0.836 1.00 30.28 C ATOM 2509 C VAL A 654 -7.411 -17.263 0.446 1.00 35.94 C ATOM 2510 O VAL A 654 -8.583 -17.475 0.767 1.00 36.43 O ATOM 2511 CB VAL A 654 -5.575 -17.986 2.162 1.00 33.03 C ATOM 2512 CG1 VAL A 654 -6.544 -17.696 3.303 1.00 32.12 C ATOM 2513 CG2 VAL A 654 -4.649 -19.143 2.537 1.00 33.11 C ATOM 2514 H VAL A 654 -4.377 -18.170 -0.074 1.00 0.00 H ATOM 2515 N MET A 655 -7.030 -16.178 -0.280 1.00 32.70 N ATOM 2516 CA MET A 655 -7.922 -15.153 -0.856 1.00 31.58 C ATOM 2517 C MET A 655 -9.182 -15.865 -1.417 1.00 35.79 C ATOM 2518 O MET A 655 -10.291 -15.631 -0.912 1.00 35.98 O ATOM 2519 CB MET A 655 -7.183 -14.433 -2.002 1.00 33.82 C ATOM 2520 CG MET A 655 -7.609 -13.029 -2.227 1.00 36.93 C ATOM 2521 SD MET A 655 -6.800 -11.933 -1.055 1.00 40.65 S ATOM 2522 CE MET A 655 -8.251 -11.435 -0.019 1.00 36.71 C ATOM 2523 H MET A 655 -6.010 -16.059 -0.446 1.00 0.00 H ATOM 2524 N ASP A 656 -8.968 -16.814 -2.374 1.00 31.51 N ATOM 2525 CA ASP A 656 -9.971 -17.657 -3.036 1.00 67.75 C ATOM 2526 C ASP A 656 -10.870 -18.417 -2.045 1.00 83.34 C ATOM 2527 O ASP A 656 -10.400 -19.243 -1.265 1.00 39.67 O ATOM 2528 CB ASP A 656 -9.294 -18.652 -4.010 1.00 70.62 C ATOM 2529 CG ASP A 656 -8.320 -18.054 -5.012 1.00 84.40 C ATOM 2530 OD1 ASP A 656 -8.288 -16.811 -5.146 1.00 85.85 O ATOM 2531 OD2 ASP A 656 -7.593 -18.832 -5.668 1.00 91.53 O ATOM 2532 H ASP A 656 -7.981 -16.956 -2.668 1.00 0.00 H TER 2533 ASP A 656 HETATM 2534 O HOH 1 22.653 -11.876 7.905 1.00 8.34 O HETATM 2535 O HOH 2 1.753 17.573 12.828 1.00 3.01 O HETATM 2536 O HOH 3 -3.027 -23.744 11.172 1.00 14.38 O HETATM 2537 O HOH 4 2.866 -1.514 14.827 1.00 3.83 O HETATM 2538 O HOH 5 0.640 -4.188 17.722 1.00 5.03 O HETATM 2539 O HOH 6 -11.363 -13.944 4.992 1.00 15.94 O HETATM 2540 O HOH 7 20.157 17.568 12.696 1.00 5.65 O HETATM 2541 O HOH 8 1.484 24.534 -3.405 1.00 3.00 O HETATM 2542 O HOH 9 15.022 23.045 -1.880 1.00 10.84 O HETATM 2543 O HOH 10 10.181 10.008 -6.820 1.00 17.57 O HETATM 2544 O HOH 11 11.552 -6.047 9.566 1.00 12.97 O HETATM 2545 O HOH 12 2.916 3.928 -4.306 1.00 19.26 O HETATM 2546 O HOH 13 -9.913 -15.451 8.626 1.00 11.44 O HETATM 2547 O HOH 14 -11.334 -2.067 13.568 1.00 8.94 O HETATM 2548 O HOH 15 -9.051 -11.272 16.417 1.00 13.32 O HETATM 2549 O HOH 16 6.178 -2.197 26.866 1.00 25.77 O HETATM 2550 O HOH 17 -11.161 -18.441 16.606 1.00 24.92 O HETATM 2551 O HOH 18 4.608 22.882 13.138 1.00 3.00 O HETATM 2552 O HOH 19 5.532 -7.384 -5.698 1.00 6.22 O HETATM 2553 O HOH 20 9.197 -10.897 17.691 1.00 36.23 O HETATM 2554 O HOH 21 8.605 -23.247 14.205 1.00 15.08 O HETATM 2555 O HOH 22 4.257 28.158 -5.153 1.00 13.74 O HETATM 2556 O HOH 23 19.769 20.388 9.193 1.00 11.85 O HETATM 2557 O HOH 24 24.723 -17.710 9.678 1.00 14.66 O HETATM 2558 O HOH 25 -18.597 -11.738 3.584 1.00 27.63 O HETATM 2559 O HOH 26 5.835 6.121 8.452 1.00 6.09 O HETATM 2560 O HOH 27 4.760 29.832 -9.378 1.00 25.94 O HETATM 2561 O HOH 28 -10.009 -21.651 0.460 1.00 28.45 O HETATM 2562 O HOH 29 23.557 14.497 10.469 1.00 11.62 O HETATM 2563 O HOH 30 -5.830 24.913 5.937 1.00 6.11 O HETATM 2564 O HOH 31 0.414 -11.314 22.305 1.00 12.30 O HETATM 2565 O HOH 32 -1.323 -23.370 -0.515 1.00 11.81 O HETATM 2566 O HOH 33 5.666 -14.971 17.154 1.00 13.59 O HETATM 2567 O HOH 34 0.380 -10.106 -6.200 1.00 13.58 O HETATM 2568 O HOH 35 19.683 -19.196 8.088 1.00 3.00 O HETATM 2569 O HOH 36 -2.623 7.699 -2.075 1.00 8.99 O HETATM 2570 O HOH 37 -12.032 -16.506 11.938 1.00 4.63 O HETATM 2571 O HOH 38 -11.474 6.629 3.866 1.00 17.94 O HETATM 2572 O HOH 39 -5.065 18.102 13.119 1.00 8.96 O HETATM 2573 O HOH 40 -5.476 3.893 -4.169 1.00 5.39 O HETATM 2574 O HOH 41 12.903 -28.208 7.481 1.00 14.06 O HETATM 2575 O HOH 42 18.353 6.275 20.255 1.00 29.67 O HETATM 2576 O HOH 43 6.884 3.728 -4.763 1.00 18.80 O HETATM 2577 O HOH 44 15.465 26.194 -2.776 1.00 28.24 O HETATM 2578 O HOH 45 -2.931 15.570 14.114 1.00 17.70 O HETATM 2579 O HOH 46 20.597 -27.118 13.388 1.00 27.39 O HETATM 2580 O HOH 47 -8.041 15.147 -1.548 1.00 35.05 O HETATM 2581 O HOH 48 -6.553 -3.010 -1.728 1.00 5.67 O HETATM 2582 O HOH 49 9.036 -3.708 21.330 1.00 17.89 O HETATM 2583 O HOH 50 -1.687 23.737 8.856 1.00 20.20 O HETATM 2584 O HOH 51 5.533 9.661 10.333 1.00 16.08 O HETATM 2585 O HOH 52 18.563 -4.100 -7.213 1.00 9.22 O HETATM 2586 O HOH 53 21.416 26.710 17.078 1.00 12.29 O HETATM 2587 O HOH 54 1.595 -2.268 19.359 1.00 3.00 O HETATM 2588 O HOH 55 -6.441 4.172 17.591 1.00 14.21 O HETATM 2589 O HOH 56 1.325 -7.959 -7.612 1.00 21.10 O HETATM 2590 O HOH 57 14.217 3.690 18.933 1.00 4.58 O HETATM 2591 O HOH 58 23.226 0.839 2.815 1.00 17.83 O HETATM 2592 O HOH 59 20.870 17.795 -1.856 1.00 12.21 O HETATM 2593 O HOH 60 11.171 -24.444 14.470 1.00 20.68 O HETATM 2594 O HOH 61 3.899 2.742 -9.002 1.00 26.24 O HETATM 2595 O HOH 62 12.335 -6.161 13.359 1.00 8.16 O HETATM 2596 O HOH 63 -0.677 4.813 -6.670 1.00 13.44 O HETATM 2597 O HOH 64 -2.754 6.620 -4.642 1.00 24.78 O HETATM 2598 O HOH 65 10.031 19.232 -8.043 1.00 38.72 O HETATM 2599 O HOH 66 21.102 13.874 20.384 1.00 11.84 O HETATM 2600 O HOH 67 16.087 18.715 -12.680 1.00 10.96 O HETATM 2601 O HOH 68 15.129 24.110 0.815 1.00 7.96 O HETATM 2602 O HOH 69 6.234 17.191 -7.192 1.00 26.28 O HETATM 2603 O HOH 70 21.069 -11.671 24.934 1.00 23.42 O HETATM 2604 O HOH 71 -13.948 -16.205 0.814 1.00 41.86 O HETATM 2605 O HOH 72 12.519 -20.294 18.236 1.00 20.99 O HETATM 2606 O HOH 73 -7.978 12.728 -3.482 1.00 9.91 O HETATM 2607 O HOH 74 23.813 28.511 14.544 1.00 16.94 O HETATM 2608 O HOH 75 26.597 -7.926 19.362 1.00 8.55 O HETATM 2609 O HOH 76 -21.174 1.067 19.073 1.00 13.25 O HETATM 2610 O HOH 77 2.317 -14.438 -6.576 1.00 18.52 O HETATM 2611 O HOH 78 20.837 -3.693 18.359 1.00 19.70 O HETATM 2612 O HOH 79 -11.000 -5.417 0.581 1.00 20.57 O HETATM 2613 O HOH 80 -3.794 -11.027 -7.263 1.00 8.86 O HETATM 2614 O HOH 81 24.130 17.432 10.405 1.00 5.62 O HETATM 2615 O HOH 82 -13.615 -6.262 0.767 1.00 18.55 O HETATM 2616 O HOH 83 -18.181 -0.709 19.018 1.00 23.39 O HETATM 2617 O HOH 84 21.499 -9.272 26.147 1.00 26.49 O HETATM 2618 O HOH 85 19.396 3.981 21.946 1.00 8.98 O HETATM 2619 C4 JVP A 86 6.629 8.972 6.456 1.00 -0.61 C HETATM 2620 C3 JVP A 86 7.148 10.037 5.703 1.00 -0.39 C HETATM 2621 C2 JVP A 86 6.343 11.135 5.416 1.00 -0.61 C HETATM 2622 C1 JVP A 86 5.025 11.176 5.875 1.00 -0.64 C HETATM 2623 C6 JVP A 86 4.499 10.122 6.616 1.00 -0.57 C HETATM 2624 C7 JVP A 86 3.143 10.187 7.107 1.00 -0.46 C HETATM 2625 C8 JVP A 86 1.908 10.221 6.423 1.00 -0.36 C HETATM 2626 C9 JVP A 86 0.980 10.270 7.443 1.00 -0.27 C HETATM 2627 N10 JVP A 86 1.661 10.275 8.623 1.00 -0.78 N HETATM 2628 N11 JVP A 86 2.987 10.215 8.434 1.00 -0.71 N HETATM 2629 C12 JVP A 86 1.137 10.294 10.049 1.00 -0.96 C HETATM 2630 C13 JVP A 86 1.864 11.339 10.916 1.00 -1.82 C HETATM 2631 C14 JVP A 86 1.580 11.135 12.403 1.00 -1.97 C HETATM 2632 C15 JVP A 86 2.142 9.805 12.854 1.00 -1.57 C HETATM 2633 N16 JVP A 86 1.417 8.761 12.098 1.00 -1.32 N HETATM 2634 C18 JVP A 86 0.774 7.823 12.772 1.00 -1.00 C HETATM 2635 N19 JVP A 86 -0.189 8.081 13.638 1.00 -0.58 N HETATM 2636 C17 JVP A 86 1.286 8.866 10.608 1.00 -1.39 C HETATM 2637 N20 JVP A 86 -0.367 10.317 7.438 1.00 -0.33 N HETATM 2638 C21 JVP A 86 1.570 10.232 5.012 1.00 -0.02 C HETATM 2639 O22 JVP A 86 0.439 10.553 4.667 1.00 -0.60 O HETATM 2640 N23 JVP A 86 2.592 9.871 4.140 1.00 -0.13 N HETATM 2641 C5 JVP A 86 5.306 9.017 6.910 1.00 -0.64 C HETATM 2642 O24 JVP A 86 8.443 10.101 5.204 1.00 -0.60 O HETATM 2643 C25 JVP A 86 9.008 8.948 4.674 1.00 -0.35 C HETATM 2644 C26 JVP A 86 8.262 7.913 4.076 1.00 -0.61 C HETATM 2645 C27 JVP A 86 8.919 6.779 3.587 1.00 -0.64 C HETATM 2646 C28 JVP A 86 10.311 6.689 3.693 1.00 -0.38 C HETATM 2647 C29 JVP A 86 11.060 7.723 4.251 1.00 -0.58 C HETATM 2648 C30 JVP A 86 10.406 8.857 4.730 1.00 -0.31 C HETATM 2649 F31 JVP A 86 11.143 9.833 5.280 1.00 -0.40 F HETATM 2650 F32 JVP A 86 10.947 5.602 3.249 1.00 -0.41 F CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 1534 1535 1546 1547 1548 CONECT 1546 1534 CONECT 1547 1534 CONECT 1548 1534 CONECT 2619 2620 2641 CONECT 2620 2619 2621 2642 CONECT 2621 2620 2622 CONECT 2622 2621 2623 CONECT 2623 2622 2624 2641 CONECT 2624 2623 2625 2628 CONECT 2625 2624 2626 2638 CONECT 2626 2625 2627 2637 CONECT 2627 2626 2628 2629 CONECT 2628 2624 2627 CONECT 2629 2627 2630 2636 CONECT 2630 2629 2631 CONECT 2631 2630 2632 CONECT 2632 2631 2633 CONECT 2633 2632 2634 2636 CONECT 2634 2633 2635 CONECT 2635 2634 CONECT 2636 2629 2633 CONECT 2637 2626 CONECT 2638 2625 2639 2640 CONECT 2639 2638 CONECT 2640 2638 CONECT 2641 2619 2623 CONECT 2642 2620 2643 CONECT 2643 2642 2644 2648 CONECT 2644 2643 2645 CONECT 2645 2644 2646 CONECT 2646 2645 2647 2650 CONECT 2647 2646 2648 CONECT 2648 2643 2647 2649 CONECT 2649 2648 CONECT 2650 2646 MASTER 0 0 0 0 0 0 0 0 2648 2 40 20 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6mny
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
BTK
Ligand Name
JVP
EC.Number
E.C.-.-.-.-
Resolution
2.8(Å)
Affinity (Kd/Ki/IC50)
IC50=1.5nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) ACS Med Chem Lett Vol. 10: pp. 80-85
Ligand Properties
Formula
C
2
2
H
2
3
F
2
N
6
O
2
Molecular Weight
441.454
Exact Mass
441.185
No. of atoms
55
No. of bonds
58
Polar Surface Area
125.19
LOGP Value
2.53 (
Computed with XLOGP3
)
4.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
N/C=[N+]\1/CCC[C@H](C1)n1nc(c(c1N)C(=O)N)c1ccc(cc1)Oc1ccc(cc1F)F
InChI String
InChI=1S/C22H22F2N6O2/c23-14-5-8-18(17(24)10-14)32-16-6-3-13(4-7-16)20-19(22(27)31)21(26)30(28-20)15-2-1-9-29(11-15)12-25/h3-8,10,12,15,25H,1-2,9,11H2,(H4,26,27,28,31)/p+1/t15-/m1/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):
Q7TMU1
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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