Browse entries in the PDBbind-CN Database
HEADER 6BIK_COMPLEX COMPND 6BIK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 86 TRP GLU ILE ASP PRO LYS ASP LEU THR PHE LEU LYS GLU SEQRES 2 A 86 LEU GLY THR GLY GLN PHE GLY VAL VAL LYS TYR GLY LYS SEQRES 3 A 86 TRP ARG GLY GLN TYR ASP VAL ALA ILE LYS MET ILE LYS SEQRES 4 A 86 GLU GLY SER MET SER GLU ASP GLU PHE ILE GLU GLU ALA SEQRES 5 A 86 LYS VAL MET MET ASN LEU SER HIS GLU LYS LEU VAL GLN SEQRES 6 A 86 LEU TYR GLY VAL CYS THR LYS GLN ARG PRO ILE PHE ILE SEQRES 7 A 86 ILE THR GLU TYR MET ALA ASN GLY SEQRES 1 A 177 LEU LEU ASN TYR LEU ARG GLU MET ARG HIS ARG PHE GLN SEQRES 2 A 177 THR GLN GLN LEU LEU GLU MET CYS LYS ASP VAL CYS GLU SEQRES 3 A 177 ALA MET GLU TYR LEU GLU SER LYS GLN PHE LEU HIS ARG SEQRES 4 A 177 ASP LEU ALA ALA ARG ASN CYS LEU VAL ASN ASP GLN GLY SEQRES 5 A 177 VAL VAL LYS VAL SER ASP PHE GLY LEU SER ARG TYR VAL SEQRES 6 A 177 LEU ASP ASP GLU TYR THR SER SER VAL GLY SER LYS PHE SEQRES 7 A 177 PRO VAL ARG TRP SER PRO PRO GLU VAL LEU MET TYR SER SEQRES 8 A 177 LYS PHE SER SER LYS SER ASP ILE TRP ALA PHE GLY VAL SEQRES 9 A 177 LEU MET TRP GLU ILE TYR SER LEU GLY LYS MET PRO TYR SEQRES 10 A 177 GLU ARG PHE THR ASN SER GLU THR ALA GLU HIS ILE ALA SEQRES 11 A 177 GLN GLY LEU ARG LEU TYR ARG PRO HIS LEU ALA SER GLU SEQRES 12 A 177 LYS VAL TYR THR ILE MET TYR SER CYS TRP HIS GLU LYS SEQRES 13 A 177 ALA ASP GLU ARG PRO THR PHE LYS ILE LEU LEU SER ASN SEQRES 14 A 177 ILE LEU ASP VAL MET ASP GLU ASN HET DTJ A 435 80 ATOM 1 N TRP A 395 87.025 -47.072 2.231 1.00 63.81 N ATOM 2 CA TRP A 395 85.708 -47.584 1.856 1.00 64.11 C ATOM 3 C TRP A 395 85.813 -48.665 0.771 1.00 50.67 C ATOM 4 O TRP A 395 86.737 -48.663 -0.051 1.00 24.86 O ATOM 5 CB TRP A 395 84.808 -46.444 1.373 1.00 67.38 C ATOM 6 HN3 TRP A 395 87.485 -46.657 1.396 1.00 0.00 H ATOM 7 HN2 TRP A 395 87.607 -47.852 2.598 1.00 0.00 H ATOM 8 HN1 TRP A 395 86.916 -46.344 2.966 1.00 0.00 H ATOM 9 N GLU A 396 84.850 -49.584 0.769 1.00 38.32 N ATOM 10 CA GLU A 396 84.872 -50.711 -0.154 1.00 42.32 C ATOM 11 C GLU A 396 84.368 -50.273 -1.527 1.00 33.10 C ATOM 12 O GLU A 396 83.228 -49.818 -1.664 1.00 35.30 O ATOM 13 CB GLU A 396 84.021 -51.847 0.404 1.00 45.98 C ATOM 14 CG GLU A 396 84.136 -53.158 -0.347 1.00 46.36 C ATOM 15 CD GLU A 396 85.315 -54.012 0.104 1.00 39.15 C ATOM 16 OE1 GLU A 396 85.854 -53.799 1.214 1.00 30.90 O ATOM 17 OE2 GLU A 396 85.699 -54.910 -0.663 1.00 33.45 O ATOM 18 H GLU A 396 84.063 -49.495 1.443 1.00 0.00 H ATOM 19 N ILE A 397 85.206 -50.412 -2.538 1.00 35.22 N ATOM 20 CA ILE A 397 84.833 -50.121 -3.919 1.00 27.46 C ATOM 21 C ILE A 397 84.260 -51.388 -4.548 1.00 21.23 C ATOM 22 O ILE A 397 84.720 -52.502 -4.273 1.00 21.65 O ATOM 23 CB ILE A 397 86.051 -49.582 -4.703 1.00 27.43 C ATOM 24 CG1 ILE A 397 86.337 -48.128 -4.289 1.00 23.81 C ATOM 25 CG2 ILE A 397 85.840 -49.671 -6.225 1.00 26.16 C ATOM 26 CD1 ILE A 397 87.551 -47.493 -4.950 1.00 24.23 C ATOM 27 H ILE A 397 86.172 -50.743 -2.342 1.00 0.00 H ATOM 28 N ASP A 398 83.237 -51.225 -5.380 1.00 22.54 N ATOM 29 CA ASP A 398 82.666 -52.356 -6.109 1.00 21.75 C ATOM 30 C ASP A 398 83.582 -52.718 -7.270 1.00 22.35 C ATOM 31 O ASP A 398 83.765 -51.892 -8.176 1.00 20.20 O ATOM 32 CB ASP A 398 81.280 -52.009 -6.636 1.00 23.17 C ATOM 33 CG ASP A 398 80.558 -53.207 -7.246 1.00 29.84 C ATOM 34 OD1 ASP A 398 81.198 -54.236 -7.533 1.00 31.78 O ATOM 35 OD2 ASP A 398 79.337 -53.113 -7.447 1.00 37.65 O ATOM 36 H ASP A 398 82.835 -50.275 -5.515 1.00 0.00 H ATOM 37 N PRO A 399 84.171 -53.922 -7.293 1.00 21.86 N ATOM 38 CA PRO A 399 85.132 -54.230 -8.365 1.00 30.27 C ATOM 39 C PRO A 399 84.521 -54.173 -9.744 1.00 21.17 C ATOM 40 O PRO A 399 85.257 -54.038 -10.729 1.00 24.86 O ATOM 41 CB PRO A 399 85.623 -55.647 -8.022 1.00 29.13 C ATOM 42 CG PRO A 399 84.651 -56.206 -7.064 1.00 22.61 C ATOM 43 CD PRO A 399 84.058 -55.028 -6.322 1.00 32.68 C ATOM 44 N LYS A 400 83.198 -54.269 -9.845 1.00 22.49 N ATOM 45 CA LYS A 400 82.515 -54.099 -11.119 1.00 30.28 C ATOM 46 C LYS A 400 82.660 -52.688 -11.663 1.00 26.03 C ATOM 47 O LYS A 400 82.504 -52.484 -12.870 1.00 27.34 O ATOM 48 CB LYS A 400 81.028 -54.417 -10.968 1.00 49.20 C ATOM 49 CG LYS A 400 80.692 -55.870 -10.738 1.00 66.18 C ATOM 50 CD LYS A 400 79.314 -55.984 -10.114 1.00 55.03 C ATOM 51 CE LYS A 400 78.591 -57.229 -10.552 1.00 54.67 C ATOM 52 NZ LYS A 400 77.570 -57.629 -9.539 1.00 59.87 N ATOM 53 HZ1 LYS A 400 78.040 -57.814 -8.630 1.00 0.00 H ATOM 54 HZ2 LYS A 400 76.879 -56.861 -9.423 1.00 0.00 H ATOM 55 HZ3 LYS A 400 77.083 -58.490 -9.861 1.00 0.00 H ATOM 56 H LYS A 400 82.638 -54.471 -8.992 1.00 0.00 H ATOM 57 N ASP A 401 82.919 -51.710 -10.799 1.00 20.47 N ATOM 58 CA ASP A 401 83.060 -50.327 -11.223 1.00 23.85 C ATOM 59 C ASP A 401 84.438 -50.033 -11.768 1.00 20.20 C ATOM 60 O ASP A 401 84.683 -48.908 -12.213 1.00 21.05 O ATOM 61 CB ASP A 401 82.758 -49.393 -10.050 1.00 26.75 C ATOM 62 CG ASP A 401 81.269 -49.297 -9.763 1.00 33.76 C ATOM 63 OD1 ASP A 401 80.472 -49.684 -10.641 1.00 30.35 O ATOM 64 OD2 ASP A 401 80.902 -48.824 -8.672 1.00 27.27 O ATOM 65 H ASP A 401 83.024 -51.942 -9.791 1.00 0.00 H ATOM 66 N LEU A 402 85.331 -51.011 -11.741 1.00 18.39 N ATOM 67 CA LEU A 402 86.698 -50.835 -12.201 1.00 19.05 C ATOM 68 C LEU A 402 86.876 -51.438 -13.589 1.00 24.93 C ATOM 69 O LEU A 402 86.373 -52.528 -13.879 1.00 27.43 O ATOM 70 CB LEU A 402 87.680 -51.476 -11.229 1.00 20.35 C ATOM 71 CG LEU A 402 87.633 -50.920 -9.810 1.00 17.75 C ATOM 72 CD1 LEU A 402 88.432 -51.807 -8.879 1.00 34.00 C ATOM 73 CD2 LEU A 402 88.157 -49.470 -9.772 1.00 25.94 C ATOM 74 H LEU A 402 85.042 -51.941 -11.376 1.00 0.00 H ATOM 75 N THR A 403 87.591 -50.709 -14.440 1.00 36.99 N ATOM 76 CA THR A 403 87.987 -51.164 -15.768 1.00 39.25 C ATOM 77 C THR A 403 89.509 -51.131 -15.838 1.00 29.57 C ATOM 78 O THR A 403 90.111 -50.064 -15.696 1.00 23.42 O ATOM 79 CB THR A 403 87.386 -50.271 -16.860 1.00 30.20 C ATOM 80 OG1 THR A 403 85.962 -50.172 -16.694 1.00 28.16 O ATOM 81 CG2 THR A 403 87.692 -50.833 -18.244 1.00 43.13 C ATOM 82 HG1 THR A 403 85.761 -49.780 -15.807 1.00 0.00 H ATOM 83 H THR A 403 87.886 -49.757 -14.141 1.00 0.00 H ATOM 84 N PHE A 404 90.133 -52.289 -16.035 1.00 28.04 N ATOM 85 CA PHE A 404 91.583 -52.349 -16.182 1.00 22.95 C ATOM 86 C PHE A 404 91.946 -51.995 -17.616 1.00 22.82 C ATOM 87 O PHE A 404 91.381 -52.558 -18.554 1.00 20.58 O ATOM 88 CB PHE A 404 92.101 -53.744 -15.836 1.00 26.20 C ATOM 89 CG PHE A 404 91.836 -54.152 -14.414 1.00 27.84 C ATOM 90 CD1 PHE A 404 90.627 -54.727 -14.059 1.00 66.16 C ATOM 91 CD2 PHE A 404 92.785 -53.948 -13.432 1.00 45.60 C ATOM 92 CE1 PHE A 404 90.376 -55.101 -12.753 1.00 69.38 C ATOM 93 CE2 PHE A 404 92.539 -54.322 -12.126 1.00 52.75 C ATOM 94 CZ PHE A 404 91.331 -54.898 -11.789 1.00 53.23 C ATOM 95 H PHE A 404 89.578 -53.167 -16.085 1.00 0.00 H ATOM 96 N LEU A 405 92.895 -51.083 -17.792 1.00 19.84 N ATOM 97 CA LEU A 405 93.264 -50.634 -19.136 1.00 22.17 C ATOM 98 C LEU A 405 94.721 -50.865 -19.506 1.00 23.81 C ATOM 99 O LEU A 405 94.995 -51.268 -20.639 1.00 28.11 O ATOM 100 CB LEU A 405 92.938 -49.137 -19.297 1.00 22.01 C ATOM 101 CG LEU A 405 91.445 -48.793 -19.345 1.00 27.20 C ATOM 102 CD1 LEU A 405 91.228 -47.279 -19.313 1.00 32.90 C ATOM 103 CD2 LEU A 405 90.804 -49.377 -20.582 1.00 33.79 C ATOM 104 H LEU A 405 93.382 -50.683 -16.965 1.00 0.00 H ATOM 105 N LYS A 406 95.671 -50.600 -18.608 1.00 20.40 N ATOM 106 CA LYS A 406 97.082 -50.715 -18.948 1.00 26.73 C ATOM 107 C LYS A 406 97.872 -51.183 -17.735 1.00 22.80 C ATOM 108 O LYS A 406 97.522 -50.882 -16.593 1.00 25.81 O ATOM 109 CB LYS A 406 97.684 -49.384 -19.442 1.00 27.03 C ATOM 110 CG LYS A 406 97.074 -48.827 -20.713 1.00 52.40 C ATOM 111 CD LYS A 406 97.337 -49.718 -21.915 1.00 92.80 C ATOM 112 CE LYS A 406 96.533 -49.258 -23.128 1.00103.86 C ATOM 113 NZ LYS A 406 96.592 -50.232 -24.255 1.00 86.75 N ATOM 114 HZ1 LYS A 406 97.581 -50.355 -24.553 1.00 0.00 H ATOM 115 HZ2 LYS A 406 96.206 -51.146 -23.942 1.00 0.00 H ATOM 116 HZ3 LYS A 406 96.030 -49.872 -25.053 1.00 0.00 H ATOM 117 H LYS A 406 95.399 -50.306 -17.648 1.00 0.00 H ATOM 118 N GLU A 407 98.957 -51.906 -18.006 1.00 21.61 N ATOM 119 CA GLU A 407 99.909 -52.261 -16.965 1.00 26.95 C ATOM 120 C GLU A 407 100.703 -51.021 -16.569 1.00 30.25 C ATOM 121 O GLU A 407 101.047 -50.192 -17.416 1.00 25.87 O ATOM 122 CB GLU A 407 100.851 -53.367 -17.455 1.00 24.26 C ATOM 123 CG GLU A 407 100.159 -54.660 -17.933 1.00 30.76 C ATOM 124 CD GLU A 407 99.569 -55.495 -16.796 1.00 32.14 C ATOM 125 OE1 GLU A 407 99.799 -55.147 -15.622 1.00 31.93 O ATOM 126 OE2 GLU A 407 98.867 -56.498 -17.072 1.00 28.51 O ATOM 127 H GLU A 407 99.127 -52.223 -18.982 1.00 0.00 H ATOM 128 N LEU A 408 100.966 -50.875 -15.267 1.00 20.08 N ATOM 129 CA LEU A 408 101.796 -49.783 -14.777 1.00 20.26 C ATOM 130 C LEU A 408 103.087 -50.277 -14.150 1.00 25.82 C ATOM 131 O LEU A 408 103.788 -49.490 -13.510 1.00 32.91 O ATOM 132 CB LEU A 408 101.031 -48.926 -13.763 1.00 28.39 C ATOM 133 CG LEU A 408 100.037 -47.910 -14.323 1.00 27.41 C ATOM 134 CD1 LEU A 408 99.355 -47.205 -13.188 1.00 17.23 C ATOM 135 CD2 LEU A 408 100.693 -46.891 -15.260 1.00 29.25 C ATOM 136 H LEU A 408 100.569 -51.556 -14.589 1.00 0.00 H ATOM 137 N GLY A 409 103.420 -51.548 -14.318 1.00 25.94 N ATOM 138 CA GLY A 409 104.593 -52.109 -13.685 1.00 24.09 C ATOM 139 C GLY A 409 104.295 -52.717 -12.326 1.00 31.34 C ATOM 140 O GLY A 409 103.163 -53.073 -11.989 1.00 24.17 O ATOM 141 H GLY A 409 102.825 -52.155 -14.918 1.00 0.00 H ATOM 142 N THR A 410 105.351 -52.822 -11.526 1.00 25.65 N ATOM 143 CA THR A 410 105.320 -53.587 -10.291 1.00 24.63 C ATOM 144 C THR A 410 105.927 -52.764 -9.169 1.00 23.48 C ATOM 145 O THR A 410 106.848 -51.971 -9.385 1.00 22.57 O ATOM 146 CB THR A 410 106.072 -54.916 -10.461 1.00 28.39 C ATOM 147 OG1 THR A 410 105.230 -55.832 -11.174 1.00 34.95 O ATOM 148 CG2 THR A 410 106.445 -55.524 -9.124 1.00 55.54 C ATOM 149 HG1 THR A 410 105.705 -56.693 -11.290 1.00 0.00 H ATOM 150 H THR A 410 106.232 -52.339 -11.794 1.00 0.00 H ATOM 151 N GLY A 411 105.386 -52.954 -7.969 1.00 21.27 N ATOM 152 CA GLY A 411 105.903 -52.320 -6.777 1.00 23.04 C ATOM 153 C GLY A 411 106.057 -53.331 -5.653 1.00 19.17 C ATOM 154 O GLY A 411 106.014 -54.536 -5.896 1.00 27.04 O ATOM 155 H GLY A 411 104.561 -53.582 -7.885 1.00 0.00 H ATOM 156 N GLN A 412 106.188 -52.845 -4.418 1.00 19.54 N ATOM 157 CA GLN A 412 106.512 -53.704 -3.282 1.00 20.52 C ATOM 158 C GLN A 412 105.417 -54.713 -2.998 1.00 20.88 C ATOM 159 O GLN A 412 105.688 -55.754 -2.388 1.00 26.24 O ATOM 160 CB GLN A 412 106.782 -52.845 -2.048 1.00 27.10 C ATOM 161 CG GLN A 412 107.181 -53.655 -0.807 1.00 31.84 C ATOM 162 CD GLN A 412 108.446 -54.466 -1.024 1.00 33.99 C ATOM 163 OE1 GLN A 412 109.354 -54.032 -1.726 1.00 22.62 O ATOM 164 NE2 GLN A 412 108.509 -55.650 -0.425 1.00 49.67 N ATOM 165 HE22 GLN A 412 107.716 -55.979 0.162 1.00 0.00 H ATOM 166 HE21 GLN A 412 109.352 -56.248 -0.543 1.00 0.00 H ATOM 167 H GLN A 412 106.056 -51.826 -4.259 1.00 0.00 H ATOM 168 N PHE A 413 104.196 -54.434 -3.449 1.00 22.32 N ATOM 169 CA PHE A 413 103.054 -55.317 -3.291 1.00 21.53 C ATOM 170 C PHE A 413 102.658 -56.011 -4.594 1.00 20.21 C ATOM 171 O PHE A 413 101.552 -56.558 -4.683 1.00 28.92 O ATOM 172 CB PHE A 413 101.872 -54.511 -2.754 1.00 20.80 C ATOM 173 CG PHE A 413 102.055 -54.038 -1.345 1.00 20.90 C ATOM 174 CD1 PHE A 413 102.428 -54.922 -0.344 1.00 25.24 C ATOM 175 CD2 PHE A 413 101.876 -52.704 -1.018 1.00 29.72 C ATOM 176 CE1 PHE A 413 102.599 -54.484 0.962 1.00 29.80 C ATOM 177 CE2 PHE A 413 102.052 -52.267 0.288 1.00 22.46 C ATOM 178 CZ PHE A 413 102.412 -53.160 1.276 1.00 28.36 C ATOM 179 H PHE A 413 104.051 -53.531 -3.944 1.00 0.00 H ATOM 180 N GLY A 414 103.511 -55.979 -5.610 1.00 19.89 N ATOM 181 CA GLY A 414 103.220 -56.669 -6.847 1.00 19.80 C ATOM 182 C GLY A 414 102.686 -55.784 -7.956 1.00 22.47 C ATOM 183 O GLY A 414 103.123 -54.646 -8.140 1.00 21.72 O ATOM 184 H GLY A 414 104.401 -55.450 -5.515 1.00 0.00 H ATOM 185 N VAL A 415 101.731 -56.296 -8.699 1.00 23.94 N ATOM 186 CA VAL A 415 101.338 -55.668 -9.951 1.00 31.53 C ATOM 187 C VAL A 415 100.405 -54.500 -9.667 1.00 24.59 C ATOM 188 O VAL A 415 99.564 -54.550 -8.759 1.00 27.33 O ATOM 189 CB VAL A 415 100.685 -56.699 -10.889 1.00 28.43 C ATOM 190 CG1 VAL A 415 100.326 -56.055 -12.232 1.00 50.89 C ATOM 191 CG2 VAL A 415 101.622 -57.859 -11.111 1.00 33.52 C ATOM 192 H VAL A 415 101.249 -57.163 -8.387 1.00 0.00 H ATOM 193 N VAL A 416 100.560 -53.440 -10.454 1.00 24.61 N ATOM 194 CA VAL A 416 99.694 -52.269 -10.419 1.00 21.05 C ATOM 195 C VAL A 416 99.222 -51.987 -11.831 1.00 18.19 C ATOM 196 O VAL A 416 100.026 -51.991 -12.768 1.00 19.71 O ATOM 197 CB VAL A 416 100.422 -51.031 -9.871 1.00 16.17 C ATOM 198 CG1 VAL A 416 99.480 -49.819 -9.831 1.00 18.03 C ATOM 199 CG2 VAL A 416 100.983 -51.320 -8.525 1.00 17.36 C ATOM 200 H VAL A 416 101.346 -53.447 -11.135 1.00 0.00 H ATOM 201 N LYS A 417 97.930 -51.705 -11.978 1.00 16.02 N ATOM 202 CA LYS A 417 97.334 -51.429 -13.275 1.00 18.61 C ATOM 203 C LYS A 417 96.715 -50.035 -13.303 1.00 20.22 C ATOM 204 O LYS A 417 96.291 -49.496 -12.273 1.00 18.37 O ATOM 205 CB LYS A 417 96.286 -52.471 -13.627 1.00 21.03 C ATOM 206 CG LYS A 417 96.907 -53.757 -14.190 1.00 31.66 C ATOM 207 CD LYS A 417 95.882 -54.843 -14.362 1.00 34.90 C ATOM 208 CE LYS A 417 96.421 -55.991 -15.184 1.00 43.12 C ATOM 209 NZ LYS A 417 97.506 -56.709 -14.499 1.00 39.09 N ATOM 210 HZ1 LYS A 417 98.290 -56.052 -14.310 1.00 0.00 H ATOM 211 HZ2 LYS A 417 97.152 -57.095 -13.601 1.00 0.00 H ATOM 212 HZ3 LYS A 417 97.841 -57.486 -15.103 1.00 0.00 H ATOM 213 H LYS A 417 97.324 -51.681 -11.133 1.00 0.00 H ATOM 214 N TYR A 418 96.709 -49.454 -14.499 1.00 19.29 N ATOM 215 CA TYR A 418 95.962 -48.240 -14.788 1.00 26.13 C ATOM 216 C TYR A 418 94.578 -48.616 -15.278 1.00 15.40 C ATOM 217 O TYR A 418 94.413 -49.551 -16.065 1.00 15.89 O ATOM 218 CB TYR A 418 96.652 -47.380 -15.855 1.00 20.42 C ATOM 219 CG TYR A 418 95.711 -46.383 -16.522 1.00 25.28 C ATOM 220 CD1 TYR A 418 95.190 -45.313 -15.812 1.00 30.25 C ATOM 221 CD2 TYR A 418 95.331 -46.521 -17.860 1.00 22.05 C ATOM 222 CE1 TYR A 418 94.316 -44.407 -16.404 1.00 20.91 C ATOM 223 CE2 TYR A 418 94.464 -45.609 -18.460 1.00 20.06 C ATOM 224 CZ TYR A 418 93.960 -44.564 -17.728 1.00 25.00 C ATOM 225 OH TYR A 418 93.091 -43.672 -18.309 1.00 25.80 O ATOM 226 HH TYR A 418 92.829 -42.988 -17.644 1.00 0.00 H ATOM 227 H TYR A 418 97.264 -49.888 -15.264 1.00 0.00 H ATOM 228 N GLY A 419 93.590 -47.870 -14.830 1.00 18.34 N ATOM 229 CA GLY A 419 92.239 -48.130 -15.254 1.00 21.53 C ATOM 230 C GLY A 419 91.344 -46.961 -14.933 1.00 18.18 C ATOM 231 O GLY A 419 91.815 -45.854 -14.667 1.00 21.07 O ATOM 232 H GLY A 419 93.786 -47.092 -14.169 1.00 0.00 H ATOM 233 N LYS A 420 90.039 -47.230 -14.952 1.00 15.80 N ATOM 234 CA LYS A 420 89.035 -46.212 -14.670 1.00 19.95 C ATOM 235 C LYS A 420 88.025 -46.728 -13.660 1.00 22.22 C ATOM 236 O LYS A 420 87.789 -47.936 -13.545 1.00 27.96 O ATOM 237 CB LYS A 420 88.308 -45.767 -15.951 1.00 26.31 C ATOM 238 CG LYS A 420 89.141 -44.786 -16.765 1.00 34.78 C ATOM 239 CD LYS A 420 88.442 -44.297 -17.985 1.00 39.16 C ATOM 240 CE LYS A 420 89.299 -43.264 -18.720 1.00 56.78 C ATOM 241 NZ LYS A 420 89.340 -41.955 -18.011 1.00 75.56 N ATOM 242 HZ1 LYS A 420 88.375 -41.575 -17.931 1.00 0.00 H ATOM 243 HZ2 LYS A 420 89.741 -42.089 -17.061 1.00 0.00 H ATOM 244 HZ3 LYS A 420 89.932 -41.290 -18.548 1.00 0.00 H ATOM 245 H LYS A 420 89.727 -48.197 -15.175 1.00 0.00 H ATOM 246 N TRP A 421 87.445 -45.789 -12.921 1.00 22.23 N ATOM 247 CA TRP A 421 86.339 -46.055 -12.018 1.00 22.50 C ATOM 248 C TRP A 421 85.090 -45.452 -12.639 1.00 21.51 C ATOM 249 O TRP A 421 85.070 -44.256 -12.966 1.00 20.18 O ATOM 250 CB TRP A 421 86.613 -45.476 -10.628 1.00 27.58 C ATOM 251 CG TRP A 421 85.537 -45.765 -9.617 1.00 20.32 C ATOM 252 CD1 TRP A 421 85.376 -46.912 -8.898 1.00 22.00 C ATOM 253 CD2 TRP A 421 84.482 -44.887 -9.209 1.00 28.34 C ATOM 254 NE1 TRP A 421 84.286 -46.807 -8.075 1.00 20.57 N ATOM 255 CE2 TRP A 421 83.720 -45.571 -8.244 1.00 25.79 C ATOM 256 CE3 TRP A 421 84.106 -43.590 -9.569 1.00 29.98 C ATOM 257 CZ2 TRP A 421 82.604 -45.004 -7.637 1.00 31.65 C ATOM 258 CZ3 TRP A 421 82.996 -43.026 -8.964 1.00 30.25 C ATOM 259 CH2 TRP A 421 82.261 -43.730 -8.007 1.00 31.22 C ATOM 260 HE1 TRP A 421 83.944 -47.545 -7.427 1.00 0.00 H ATOM 261 H TRP A 421 87.801 -44.814 -12.993 1.00 0.00 H ATOM 262 N ARG A 422 84.066 -46.294 -12.806 1.00 19.19 N ATOM 263 CA ARG A 422 82.822 -45.982 -13.503 1.00 24.84 C ATOM 264 C ARG A 422 83.054 -45.217 -14.798 1.00 24.28 C ATOM 265 O ARG A 422 82.341 -44.254 -15.100 1.00 25.17 O ATOM 266 CB ARG A 422 81.892 -45.213 -12.574 1.00 19.66 C ATOM 267 CG ARG A 422 81.464 -46.059 -11.395 1.00 35.33 C ATOM 268 CD ARG A 422 80.347 -45.440 -10.594 1.00 35.66 C ATOM 269 NE ARG A 422 80.069 -46.246 -9.403 1.00 29.96 N ATOM 270 CZ ARG A 422 79.383 -45.831 -8.344 1.00 31.34 C ATOM 271 NH1 ARG A 422 78.887 -44.602 -8.304 1.00 39.44 N ATOM 272 NH2 ARG A 422 79.197 -46.651 -7.314 1.00 27.34 N ATOM 273 HE ARG A 422 80.437 -47.218 -9.385 1.00 0.00 H ATOM 274 HH12 ARG A 422 78.351 -44.284 -7.471 1.00 0.00 H ATOM 275 HH11 ARG A 422 79.034 -43.956 -9.105 1.00 0.00 H ATOM 276 HH22 ARG A 422 78.660 -46.329 -6.483 1.00 0.00 H ATOM 277 HH21 ARG A 422 79.588 -47.614 -7.339 1.00 0.00 H ATOM 278 H ARG A 422 84.163 -47.249 -12.407 1.00 0.00 H ATOM 279 N GLY A 423 84.034 -45.661 -15.581 1.00 21.63 N ATOM 280 CA GLY A 423 84.257 -45.141 -16.907 1.00 26.89 C ATOM 281 C GLY A 423 84.865 -43.758 -16.977 1.00 27.86 C ATOM 282 O GLY A 423 85.319 -43.362 -18.056 1.00 37.51 O ATOM 283 H GLY A 423 84.661 -46.410 -15.224 1.00 0.00 H ATOM 284 N GLN A 424 84.908 -43.007 -15.882 1.00 30.61 N ATOM 285 CA GLN A 424 85.315 -41.607 -15.959 1.00 37.64 C ATOM 286 C GLN A 424 86.596 -41.280 -15.209 1.00 28.24 C ATOM 287 O GLN A 424 87.407 -40.506 -15.718 1.00 36.22 O ATOM 288 CB GLN A 424 84.193 -40.697 -15.444 1.00 51.31 C ATOM 289 CG GLN A 424 84.589 -39.219 -15.393 1.00 74.88 C ATOM 290 CD GLN A 424 83.555 -38.290 -15.994 1.00 90.41 C ATOM 291 OE1 GLN A 424 82.733 -38.695 -16.814 1.00 88.85 O ATOM 292 NE2 GLN A 424 83.601 -37.027 -15.592 1.00109.78 N ATOM 293 HE22 GLN A 424 84.314 -36.728 -14.896 1.00 0.00 H ATOM 294 HE21 GLN A 424 82.924 -36.335 -15.973 1.00 0.00 H ATOM 295 H GLN A 424 84.650 -43.420 -14.963 1.00 0.00 H ATOM 296 N TYR A 425 86.814 -41.817 -14.013 1.00 20.37 N ATOM 297 CA TYR A 425 87.944 -41.384 -13.200 1.00 23.42 C ATOM 298 C TYR A 425 89.147 -42.292 -13.430 1.00 22.53 C ATOM 299 O TYR A 425 89.068 -43.502 -13.217 1.00 25.23 O ATOM 300 CB TYR A 425 87.565 -41.356 -11.721 1.00 33.35 C ATOM 301 CG TYR A 425 86.533 -40.304 -11.381 1.00 29.19 C ATOM 302 CD1 TYR A 425 86.897 -38.982 -11.158 1.00 32.03 C ATOM 303 CD2 TYR A 425 85.193 -40.637 -11.282 1.00 28.53 C ATOM 304 CE1 TYR A 425 85.948 -38.027 -10.854 1.00 38.06 C ATOM 305 CE2 TYR A 425 84.240 -39.693 -10.975 1.00 30.95 C ATOM 306 CZ TYR A 425 84.615 -38.396 -10.761 1.00 36.89 C ATOM 307 OH TYR A 425 83.638 -37.474 -10.455 1.00 29.03 O ATOM 308 HH TYR A 425 84.054 -36.584 -10.328 1.00 0.00 H ATOM 309 H TYR A 425 86.173 -42.553 -13.654 1.00 0.00 H ATOM 310 N ASP A 426 90.260 -41.701 -13.853 1.00 24.73 N ATOM 311 CA ASP A 426 91.511 -42.440 -13.927 1.00 27.63 C ATOM 312 C ASP A 426 91.953 -42.860 -12.529 1.00 31.45 C ATOM 313 O ASP A 426 91.922 -42.064 -11.586 1.00 25.53 O ATOM 314 CB ASP A 426 92.594 -41.589 -14.578 1.00 24.59 C ATOM 315 CG ASP A 426 92.296 -41.258 -16.030 1.00 28.31 C ATOM 316 OD1 ASP A 426 91.571 -42.028 -16.700 1.00 23.08 O ATOM 317 OD2 ASP A 426 92.814 -40.230 -16.505 1.00 28.47 O ATOM 318 H ASP A 426 90.236 -40.700 -14.134 1.00 0.00 H ATOM 319 N VAL A 427 92.355 -44.130 -12.397 1.00 16.90 N ATOM 320 CA VAL A 427 92.828 -44.685 -11.143 1.00 18.62 C ATOM 321 C VAL A 427 94.000 -45.606 -11.418 1.00 24.80 C ATOM 322 O VAL A 427 94.172 -46.124 -12.522 1.00 22.41 O ATOM 323 CB VAL A 427 91.729 -45.466 -10.392 1.00 21.49 C ATOM 324 CG1 VAL A 427 90.574 -44.543 -10.067 1.00 21.72 C ATOM 325 CG2 VAL A 427 91.262 -46.692 -11.229 1.00 15.50 C ATOM 326 H VAL A 427 92.327 -44.748 -13.233 1.00 0.00 H ATOM 327 N ALA A 428 94.814 -45.799 -10.387 1.00 21.97 N ATOM 328 CA ALA A 428 95.733 -46.918 -10.327 1.00 19.12 C ATOM 329 C ALA A 428 95.149 -47.953 -9.381 1.00 18.29 C ATOM 330 O ALA A 428 94.516 -47.603 -8.381 1.00 21.24 O ATOM 331 CB ALA A 428 97.119 -46.477 -9.855 1.00 16.64 C ATOM 332 H ALA A 428 94.791 -45.124 -9.596 1.00 0.00 H ATOM 333 N ILE A 429 95.324 -49.227 -9.721 1.00 17.05 N ATOM 334 CA ILE A 429 94.766 -50.328 -8.951 1.00 19.69 C ATOM 335 C ILE A 429 95.919 -51.257 -8.620 1.00 21.36 C ATOM 336 O ILE A 429 96.512 -51.850 -9.521 1.00 19.76 O ATOM 337 CB ILE A 429 93.667 -51.090 -9.701 1.00 18.78 C ATOM 338 CG1 ILE A 429 92.592 -50.137 -10.230 1.00 26.20 C ATOM 339 CG2 ILE A 429 93.016 -52.120 -8.766 1.00 32.85 C ATOM 340 CD1 ILE A 429 92.338 -50.266 -11.699 1.00 32.13 C ATOM 341 H ILE A 429 95.882 -49.445 -10.571 1.00 0.00 H ATOM 342 N LYS A 430 96.249 -51.374 -7.340 1.00 21.38 N ATOM 343 CA LYS A 430 97.246 -52.342 -6.908 1.00 18.39 C ATOM 344 C LYS A 430 96.540 -53.670 -6.693 1.00 21.68 C ATOM 345 O LYS A 430 95.506 -53.727 -6.020 1.00 21.47 O ATOM 346 CB LYS A 430 97.945 -51.929 -5.614 1.00 22.46 C ATOM 347 CG LYS A 430 98.459 -50.511 -5.525 1.00 18.21 C ATOM 348 CD LYS A 430 99.150 -50.337 -4.182 1.00 24.14 C ATOM 349 CE LYS A 430 99.388 -48.888 -3.810 1.00 29.71 C ATOM 350 NZ LYS A 430 100.450 -48.247 -4.628 1.00 24.53 N ATOM 351 HZ1 LYS A 430 101.345 -48.760 -4.495 1.00 0.00 H ATOM 352 HZ2 LYS A 430 100.178 -48.276 -5.631 1.00 0.00 H ATOM 353 HZ3 LYS A 430 100.568 -47.258 -4.328 1.00 0.00 H ATOM 354 H LYS A 430 95.788 -50.764 -6.635 1.00 0.00 H ATOM 355 N MET A 431 97.090 -54.727 -7.269 1.00 21.16 N ATOM 356 CA MET A 431 96.649 -56.088 -6.994 1.00 22.69 C ATOM 357 C MET A 431 97.667 -56.695 -6.033 1.00 30.12 C ATOM 358 O MET A 431 98.801 -57.000 -6.426 1.00 27.36 O ATOM 359 CB MET A 431 96.521 -56.877 -8.295 1.00 22.02 C ATOM 360 CG MET A 431 95.635 -56.172 -9.321 1.00 29.81 C ATOM 361 SD MET A 431 95.314 -57.073 -10.854 1.00 46.84 S ATOM 362 CE MET A 431 96.888 -57.869 -11.182 1.00 84.17 C ATOM 363 H MET A 431 97.867 -54.580 -7.944 1.00 0.00 H ATOM 364 N ILE A 432 97.268 -56.845 -4.771 1.00 26.26 N ATOM 365 CA ILE A 432 98.200 -57.141 -3.685 1.00 21.12 C ATOM 366 C ILE A 432 98.643 -58.595 -3.798 1.00 22.39 C ATOM 367 O ILE A 432 97.866 -59.510 -3.512 1.00 28.86 O ATOM 368 CB ILE A 432 97.571 -56.868 -2.313 1.00 27.78 C ATOM 369 CG1 ILE A 432 97.114 -55.408 -2.194 1.00 26.35 C ATOM 370 CG2 ILE A 432 98.547 -57.263 -1.190 1.00 23.52 C ATOM 371 CD1 ILE A 432 98.145 -54.332 -2.623 1.00 20.08 C ATOM 372 H ILE A 432 96.256 -56.748 -4.550 1.00 0.00 H ATOM 373 N LYS A 433 99.900 -58.800 -4.190 1.00 25.39 N ATOM 374 CA LYS A 433 100.500 -60.128 -4.238 1.00 27.31 C ATOM 375 C LYS A 433 100.306 -60.858 -2.915 1.00 25.54 C ATOM 376 O LYS A 433 100.656 -60.343 -1.849 1.00 25.61 O ATOM 377 CB LYS A 433 101.999 -59.996 -4.557 1.00 33.49 C ATOM 378 CG LYS A 433 102.783 -61.315 -4.608 1.00 43.02 C ATOM 379 CD LYS A 433 104.305 -61.111 -4.641 1.00 68.57 C ATOM 380 CE LYS A 433 104.818 -60.749 -6.033 1.00101.21 C ATOM 381 NZ LYS A 433 106.311 -60.692 -6.099 1.00103.53 N ATOM 382 HZ1 LYS A 433 106.659 -59.973 -5.433 1.00 0.00 H ATOM 383 HZ2 LYS A 433 106.704 -61.621 -5.845 1.00 0.00 H ATOM 384 HZ3 LYS A 433 106.605 -60.442 -7.065 1.00 0.00 H ATOM 385 H LYS A 433 100.475 -57.981 -4.473 1.00 0.00 H ATOM 386 N GLU A 434 99.753 -62.069 -2.987 1.00 26.00 N ATOM 387 CA GLU A 434 99.538 -62.867 -1.783 1.00 26.86 C ATOM 388 C GLU A 434 100.855 -63.126 -1.067 1.00 30.86 C ATOM 389 O GLU A 434 101.835 -63.558 -1.680 1.00 37.17 O ATOM 390 CB GLU A 434 98.867 -64.199 -2.129 1.00 57.65 C ATOM 391 CG GLU A 434 97.380 -64.105 -2.433 1.00 67.22 C ATOM 392 CD GLU A 434 96.527 -64.021 -1.179 1.00 84.73 C ATOM 393 OE1 GLU A 434 97.010 -63.491 -0.156 1.00 91.89 O ATOM 394 OE2 GLU A 434 95.372 -64.496 -1.214 1.00 89.29 O ATOM 395 H GLU A 434 99.471 -62.450 -3.913 1.00 0.00 H ATOM 396 N GLY A 435 100.867 -62.880 0.243 1.00 28.23 N ATOM 397 CA GLY A 435 102.063 -63.032 1.038 1.00 41.47 C ATOM 398 C GLY A 435 102.941 -61.801 1.112 1.00 38.77 C ATOM 399 O GLY A 435 103.931 -61.816 1.851 1.00 31.80 O ATOM 400 H GLY A 435 99.989 -62.569 0.706 1.00 0.00 H ATOM 401 N SER A 436 102.612 -60.734 0.381 1.00 26.89 N ATOM 402 CA SER A 436 103.432 -59.528 0.370 1.00 27.68 C ATOM 403 C SER A 436 102.989 -58.496 1.398 1.00 29.74 C ATOM 404 O SER A 436 103.732 -57.540 1.652 1.00 32.81 O ATOM 405 CB SER A 436 103.416 -58.882 -1.021 1.00 34.98 C ATOM 406 OG SER A 436 102.211 -58.170 -1.255 1.00 24.65 O ATOM 407 HG SER A 436 101.444 -58.792 -1.191 1.00 0.00 H ATOM 408 H SER A 436 101.748 -60.763 -0.196 1.00 0.00 H ATOM 409 N MET A 437 101.813 -58.670 1.999 1.00 26.50 N ATOM 410 CA MET A 437 101.229 -57.668 2.876 1.00 32.60 C ATOM 411 C MET A 437 100.591 -58.336 4.080 1.00 27.67 C ATOM 412 O MET A 437 99.971 -59.394 3.953 1.00 28.81 O ATOM 413 CB MET A 437 100.161 -56.838 2.152 1.00 25.29 C ATOM 414 CG MET A 437 99.386 -55.905 3.084 1.00 53.32 C ATOM 415 SD MET A 437 98.064 -55.028 2.249 1.00 41.42 S ATOM 416 CE MET A 437 98.998 -53.912 1.239 1.00 31.99 C ATOM 417 H MET A 437 101.293 -59.556 1.835 1.00 0.00 H ATOM 418 N SER A 438 100.737 -57.697 5.244 1.00 28.39 N ATOM 419 CA SER A 438 99.997 -58.069 6.452 1.00 38.26 C ATOM 420 C SER A 438 98.576 -57.542 6.276 1.00 38.46 C ATOM 421 O SER A 438 98.262 -56.395 6.594 1.00 33.77 O ATOM 422 CB SER A 438 100.669 -57.505 7.699 1.00 39.54 C ATOM 423 OG SER A 438 99.992 -57.930 8.872 1.00 57.53 O ATOM 424 HG SER A 438 100.007 -58.919 8.920 1.00 0.00 H ATOM 425 H SER A 438 101.405 -56.901 5.295 1.00 0.00 H ATOM 426 N GLU A 439 97.707 -58.390 5.730 1.00 40.67 N ATOM 427 CA GLU A 439 96.412 -57.912 5.264 1.00 46.29 C ATOM 428 C GLU A 439 95.486 -57.584 6.429 1.00 51.71 C ATOM 429 O GLU A 439 94.787 -56.564 6.400 1.00 35.11 O ATOM 430 CB GLU A 439 95.801 -58.949 4.325 1.00 69.94 C ATOM 431 CG GLU A 439 96.678 -59.200 3.101 1.00 67.85 C ATOM 432 CD GLU A 439 96.041 -60.110 2.073 1.00 57.69 C ATOM 433 OE1 GLU A 439 94.903 -60.571 2.300 1.00 52.45 O ATOM 434 OE2 GLU A 439 96.684 -60.359 1.033 1.00 40.61 O ATOM 435 H GLU A 439 97.953 -59.396 5.636 1.00 0.00 H ATOM 436 N ASP A 440 95.481 -58.418 7.473 1.00 48.69 N ATOM 437 CA ASP A 440 94.695 -58.109 8.663 1.00 46.37 C ATOM 438 C ASP A 440 95.049 -56.734 9.209 1.00 42.31 C ATOM 439 O ASP A 440 94.168 -55.893 9.427 1.00 44.08 O ATOM 440 CB ASP A 440 94.920 -59.173 9.735 1.00 50.31 C ATOM 441 CG ASP A 440 94.220 -60.468 9.423 1.00 65.37 C ATOM 442 OD1 ASP A 440 93.686 -60.606 8.302 1.00 76.30 O ATOM 443 OD2 ASP A 440 94.195 -61.347 10.309 1.00 86.44 O ATOM 444 H ASP A 440 96.041 -59.293 7.437 1.00 0.00 H ATOM 445 N GLU A 441 96.342 -56.490 9.442 1.00 33.45 N ATOM 446 CA GLU A 441 96.759 -55.207 9.989 1.00 55.29 C ATOM 447 C GLU A 441 96.322 -54.073 9.075 1.00 54.75 C ATOM 448 O GLU A 441 95.821 -53.043 9.543 1.00 49.96 O ATOM 449 CB GLU A 441 98.275 -55.202 10.198 1.00 70.97 C ATOM 450 CG GLU A 441 98.792 -54.133 11.156 1.00 80.07 C ATOM 451 CD GLU A 441 100.291 -54.242 11.389 1.00 80.25 C ATOM 452 OE1 GLU A 441 100.845 -55.337 11.153 1.00 79.16 O ATOM 453 OE2 GLU A 441 100.914 -53.240 11.803 1.00 77.50 O ATOM 454 H GLU A 441 97.053 -57.219 9.232 1.00 0.00 H ATOM 455 N PHE A 442 96.466 -54.261 7.760 1.00 49.88 N ATOM 456 CA PHE A 442 96.128 -53.196 6.827 1.00 39.53 C ATOM 457 C PHE A 442 94.629 -52.946 6.801 1.00 35.90 C ATOM 458 O PHE A 442 94.181 -51.799 6.910 1.00 30.42 O ATOM 459 CB PHE A 442 96.619 -53.530 5.421 1.00 39.55 C ATOM 460 CG PHE A 442 96.053 -52.624 4.377 1.00 28.33 C ATOM 461 CD1 PHE A 442 96.451 -51.298 4.313 1.00 27.24 C ATOM 462 CD2 PHE A 442 95.095 -53.080 3.483 1.00 29.07 C ATOM 463 CE1 PHE A 442 95.926 -50.442 3.349 1.00 31.16 C ATOM 464 CE2 PHE A 442 94.562 -52.228 2.517 1.00 35.58 C ATOM 465 CZ PHE A 442 94.980 -50.909 2.455 1.00 37.10 C ATOM 466 H PHE A 442 96.821 -55.171 7.402 1.00 0.00 H ATOM 467 N ILE A 443 93.838 -54.012 6.636 1.00 34.25 N ATOM 468 CA ILE A 443 92.388 -53.864 6.576 1.00 37.80 C ATOM 469 C ILE A 443 91.861 -53.356 7.910 1.00 57.27 C ATOM 470 O ILE A 443 90.926 -52.549 7.963 1.00 54.31 O ATOM 471 CB ILE A 443 91.737 -55.200 6.168 1.00 41.80 C ATOM 472 CG1 ILE A 443 92.145 -55.579 4.736 1.00 37.61 C ATOM 473 CG2 ILE A 443 90.221 -55.107 6.271 1.00 52.16 C ATOM 474 CD1 ILE A 443 91.702 -56.976 4.290 1.00 33.75 C ATOM 475 H ILE A 443 94.262 -54.958 6.549 1.00 0.00 H ATOM 476 N GLU A 444 92.467 -53.803 9.007 1.00 68.61 N ATOM 477 CA GLU A 444 92.049 -53.346 10.326 1.00 74.11 C ATOM 478 C GLU A 444 92.217 -51.835 10.471 1.00 61.74 C ATOM 479 O GLU A 444 91.360 -51.164 11.059 1.00 44.71 O ATOM 480 CB GLU A 444 92.850 -54.094 11.394 1.00 82.27 C ATOM 481 CG GLU A 444 92.372 -53.894 12.813 1.00 82.14 C ATOM 482 CD GLU A 444 90.965 -54.399 13.035 1.00 69.71 C ATOM 483 OE1 GLU A 444 90.276 -53.822 13.894 1.00 58.94 O ATOM 484 OE2 GLU A 444 90.542 -55.361 12.354 1.00 60.96 O ATOM 485 H GLU A 444 93.247 -54.486 8.922 1.00 0.00 H ATOM 486 N GLU A 445 93.303 -51.274 9.928 1.00 64.06 N ATOM 487 CA GLU A 445 93.666 -49.879 10.163 1.00 60.81 C ATOM 488 C GLU A 445 93.514 -49.009 8.917 1.00 66.61 C ATOM 489 O GLU A 445 94.198 -47.992 8.785 1.00 71.49 O ATOM 490 CB GLU A 445 95.101 -49.788 10.686 1.00 45.22 C ATOM 491 H GLU A 445 93.912 -51.853 9.315 1.00 0.00 H ATOM 492 N ALA A 446 92.606 -49.372 8.009 1.00 67.72 N ATOM 493 CA ALA A 446 92.557 -48.734 6.697 1.00 74.32 C ATOM 494 C ALA A 446 91.640 -47.521 6.636 1.00 72.51 C ATOM 495 O ALA A 446 91.850 -46.647 5.786 1.00 74.79 O ATOM 496 CB ALA A 446 92.111 -49.742 5.634 1.00 78.60 C ATOM 497 H ALA A 446 91.923 -50.121 8.240 1.00 0.00 H ATOM 498 N LYS A 447 90.618 -47.447 7.493 1.00 59.49 N ATOM 499 CA LYS A 447 89.702 -46.310 7.449 1.00 46.19 C ATOM 500 C LYS A 447 90.459 -44.998 7.602 1.00 61.85 C ATOM 501 O LYS A 447 90.265 -44.060 6.821 1.00 85.99 O ATOM 502 CB LYS A 447 88.641 -46.439 8.544 1.00 37.07 C ATOM 503 H LYS A 447 90.474 -48.202 8.194 1.00 0.00 H ATOM 504 N VAL A 448 91.323 -44.916 8.618 1.00 56.75 N ATOM 505 CA VAL A 448 92.094 -43.700 8.870 1.00 58.38 C ATOM 506 C VAL A 448 92.848 -43.272 7.619 1.00 59.85 C ATOM 507 O VAL A 448 92.956 -42.077 7.313 1.00 53.49 O ATOM 508 CB VAL A 448 93.054 -43.916 10.056 1.00 49.21 C ATOM 509 CG1 VAL A 448 93.895 -45.169 9.854 1.00 75.72 C ATOM 510 CG2 VAL A 448 93.958 -42.708 10.248 1.00 41.73 C ATOM 511 H VAL A 448 91.450 -45.737 9.244 1.00 0.00 H ATOM 512 N MET A 449 93.384 -44.237 6.878 1.00 46.83 N ATOM 513 CA MET A 449 94.174 -43.902 5.705 1.00 44.84 C ATOM 514 C MET A 449 93.297 -43.391 4.565 1.00 45.61 C ATOM 515 O MET A 449 93.727 -42.521 3.798 1.00 41.54 O ATOM 516 CB MET A 449 94.981 -45.124 5.272 1.00 51.99 C ATOM 517 CG MET A 449 96.326 -44.786 4.680 1.00 69.60 C ATOM 518 SD MET A 449 97.170 -46.235 4.032 1.00 65.67 S ATOM 519 CE MET A 449 98.273 -46.613 5.392 1.00 44.67 C ATOM 520 H MET A 449 93.238 -45.233 7.138 1.00 0.00 H ATOM 521 N MET A 450 92.070 -43.910 4.438 1.00 48.60 N ATOM 522 CA MET A 450 91.144 -43.388 3.436 1.00 48.83 C ATOM 523 C MET A 450 90.701 -41.965 3.768 1.00 43.28 C ATOM 524 O MET A 450 90.432 -41.174 2.859 1.00 43.04 O ATOM 525 CB MET A 450 89.928 -44.311 3.310 1.00 33.33 C ATOM 526 H MET A 450 91.773 -44.691 5.057 1.00 0.00 H ATOM 527 N ASN A 451 90.640 -41.616 5.055 1.00 33.70 N ATOM 528 CA ASN A 451 90.209 -40.293 5.487 1.00 33.16 C ATOM 529 C ASN A 451 91.298 -39.231 5.384 1.00 32.69 C ATOM 530 O ASN A 451 90.991 -38.040 5.509 1.00 32.37 O ATOM 531 CB ASN A 451 89.698 -40.359 6.928 1.00 39.96 C ATOM 532 CG ASN A 451 88.298 -40.929 7.018 1.00 54.52 C ATOM 533 OD1 ASN A 451 87.907 -41.774 6.210 1.00 58.93 O ATOM 534 ND2 ASN A 451 87.528 -40.457 7.990 1.00 61.42 N ATOM 535 HD22 ASN A 451 87.901 -39.744 8.649 1.00 0.00 H ATOM 536 HD21 ASN A 451 86.552 -40.800 8.093 1.00 0.00 H ATOM 537 H ASN A 451 90.910 -42.315 5.776 1.00 0.00 H ATOM 538 N LEU A 452 92.551 -39.612 5.166 1.00 28.63 N ATOM 539 CA LEU A 452 93.584 -38.625 4.876 1.00 27.68 C ATOM 540 C LEU A 452 93.272 -37.993 3.529 1.00 29.88 C ATOM 541 O LEU A 452 93.346 -38.660 2.493 1.00 30.73 O ATOM 542 CB LEU A 452 94.963 -39.274 4.876 1.00 29.60 C ATOM 543 CG LEU A 452 95.368 -39.841 6.241 1.00 26.82 C ATOM 544 CD1 LEU A 452 96.590 -40.733 6.139 1.00 30.08 C ATOM 545 CD2 LEU A 452 95.614 -38.700 7.207 1.00 19.30 C ATOM 546 H LEU A 452 92.797 -40.622 5.202 1.00 0.00 H ATOM 547 N SER A 453 92.912 -36.711 3.541 1.00 26.40 N ATOM 548 CA SER A 453 92.470 -36.010 2.341 1.00 41.14 C ATOM 549 C SER A 453 93.210 -34.686 2.238 1.00 35.63 C ATOM 550 O SER A 453 93.056 -33.816 3.104 1.00 34.87 O ATOM 551 CB SER A 453 90.958 -35.776 2.367 1.00 59.50 C ATOM 552 OG SER A 453 90.505 -35.279 1.121 1.00 89.98 O ATOM 553 HG SER A 453 90.715 -35.935 0.409 1.00 0.00 H ATOM 554 H SER A 453 92.947 -36.190 4.440 1.00 0.00 H ATOM 555 N HIS A 454 94.010 -34.541 1.185 1.00 26.51 N ATOM 556 CA HIS A 454 94.767 -33.321 0.951 1.00 25.90 C ATOM 557 C HIS A 454 95.138 -33.256 -0.521 1.00 19.90 C ATOM 558 O HIS A 454 95.408 -34.285 -1.142 1.00 23.93 O ATOM 559 CB HIS A 454 96.028 -33.282 1.817 1.00 25.10 C ATOM 560 CG HIS A 454 96.699 -31.948 1.837 1.00 25.38 C ATOM 561 ND1 HIS A 454 97.647 -31.578 0.907 1.00 18.06 N ATOM 562 CD2 HIS A 454 96.554 -30.891 2.670 1.00 26.59 C ATOM 563 CE1 HIS A 454 98.054 -30.348 1.164 1.00 31.39 C ATOM 564 NE2 HIS A 454 97.409 -29.910 2.232 1.00 29.41 N ATOM 565 H HIS A 454 94.097 -35.325 0.507 1.00 0.00 H ATOM 566 N GLU A 455 95.157 -32.040 -1.075 1.00 20.39 N ATOM 567 CA GLU A 455 95.424 -31.911 -2.509 1.00 27.39 C ATOM 568 C GLU A 455 96.758 -32.528 -2.883 1.00 19.13 C ATOM 569 O GLU A 455 96.904 -33.050 -3.988 1.00 19.23 O ATOM 570 CB GLU A 455 95.422 -30.452 -2.966 1.00 37.54 C ATOM 571 CG GLU A 455 95.731 -30.308 -4.483 1.00 58.49 C ATOM 572 CD GLU A 455 96.191 -28.923 -4.874 1.00 79.52 C ATOM 573 OE1 GLU A 455 96.095 -28.007 -4.030 1.00 98.53 O ATOM 574 OE2 GLU A 455 96.659 -28.755 -6.025 1.00 64.89 O ATOM 575 H GLU A 455 94.984 -31.195 -0.494 1.00 0.00 H ATOM 576 N LYS A 456 97.737 -32.478 -1.987 1.00 17.91 N ATOM 577 CA LYS A 456 99.092 -32.891 -2.312 1.00 16.66 C ATOM 578 C LYS A 456 99.402 -34.302 -1.849 1.00 17.10 C ATOM 579 O LYS A 456 100.573 -34.707 -1.864 1.00 17.93 O ATOM 580 CB LYS A 456 100.097 -31.896 -1.726 1.00 15.89 C ATOM 581 CG LYS A 456 99.885 -30.444 -2.188 1.00 16.85 C ATOM 582 CD LYS A 456 99.956 -30.294 -3.696 1.00 17.36 C ATOM 583 CE LYS A 456 99.596 -28.869 -4.178 1.00 26.45 C ATOM 584 NZ LYS A 456 100.663 -27.874 -3.810 1.00 34.15 N ATOM 585 HZ1 LYS A 456 100.774 -27.853 -2.776 1.00 0.00 H ATOM 586 HZ2 LYS A 456 101.563 -28.153 -4.251 1.00 0.00 H ATOM 587 HZ3 LYS A 456 100.387 -26.930 -4.149 1.00 0.00 H ATOM 588 H LYS A 456 97.529 -32.134 -1.028 1.00 0.00 H ATOM 589 N LEU A 457 98.385 -35.059 -1.436 1.00 16.87 N ATOM 590 CA LEU A 457 98.512 -36.494 -1.228 1.00 21.89 C ATOM 591 C LEU A 457 97.926 -37.230 -2.417 1.00 26.38 C ATOM 592 O LEU A 457 96.903 -36.817 -2.971 1.00 28.70 O ATOM 593 CB LEU A 457 97.773 -36.955 0.023 1.00 22.73 C ATOM 594 CG LEU A 457 98.267 -36.489 1.376 1.00 17.16 C ATOM 595 CD1 LEU A 457 97.247 -36.966 2.406 1.00 31.07 C ATOM 596 CD2 LEU A 457 99.649 -37.038 1.674 1.00 27.39 C ATOM 597 H LEU A 457 97.466 -34.607 -1.256 1.00 0.00 H ATOM 598 N VAL A 458 98.558 -38.338 -2.790 1.00 19.58 N ATOM 599 CA VAL A 458 97.949 -39.216 -3.780 1.00 17.81 C ATOM 600 C VAL A 458 96.836 -39.965 -3.066 1.00 28.85 C ATOM 601 O VAL A 458 97.096 -40.858 -2.253 1.00 30.29 O ATOM 602 CB VAL A 458 98.976 -40.164 -4.406 1.00 17.33 C ATOM 603 CG1 VAL A 458 98.304 -41.181 -5.338 1.00 20.98 C ATOM 604 CG2 VAL A 458 99.994 -39.358 -5.172 1.00 20.00 C ATOM 605 H VAL A 458 99.482 -38.577 -2.377 1.00 0.00 H ATOM 606 N GLN A 459 95.594 -39.587 -3.355 1.00 21.81 N ATOM 607 CA GLN A 459 94.466 -40.019 -2.541 1.00 32.05 C ATOM 608 C GLN A 459 94.269 -41.525 -2.611 1.00 34.53 C ATOM 609 O GLN A 459 94.414 -42.146 -3.669 1.00 23.73 O ATOM 610 CB GLN A 459 93.184 -39.324 -2.997 1.00 45.43 C ATOM 611 CG GLN A 459 92.164 -39.111 -1.887 1.00 65.59 C ATOM 612 CD GLN A 459 92.294 -37.749 -1.235 1.00 78.52 C ATOM 613 OE1 GLN A 459 91.294 -37.110 -0.915 1.00110.90 O ATOM 614 NE2 GLN A 459 93.529 -37.294 -1.036 1.00 50.82 N ATOM 615 HE22 GLN A 459 94.347 -37.868 -1.322 1.00 0.00 H ATOM 616 HE21 GLN A 459 93.676 -36.364 -0.594 1.00 0.00 H ATOM 617 H GLN A 459 95.425 -38.972 -4.177 1.00 0.00 H ATOM 618 N LEU A 460 93.912 -42.108 -1.469 1.00 40.18 N ATOM 619 CA LEU A 460 93.484 -43.503 -1.386 1.00 42.45 C ATOM 620 C LEU A 460 91.966 -43.514 -1.518 1.00 36.47 C ATOM 621 O LEU A 460 91.251 -43.153 -0.581 1.00 38.16 O ATOM 622 CB LEU A 460 93.946 -44.126 -0.071 1.00 43.89 C ATOM 623 CG LEU A 460 93.487 -45.549 0.255 1.00 38.93 C ATOM 624 CD1 LEU A 460 94.065 -46.520 -0.723 1.00 23.27 C ATOM 625 CD2 LEU A 460 93.893 -45.941 1.666 1.00 45.50 C ATOM 626 H LEU A 460 93.939 -41.545 -0.595 1.00 0.00 H ATOM 627 N TYR A 461 91.472 -43.920 -2.693 1.00 23.70 N ATOM 628 CA TYR A 461 90.041 -43.891 -2.953 1.00 25.87 C ATOM 629 C TYR A 461 89.295 -44.998 -2.218 1.00 21.71 C ATOM 630 O TYR A 461 88.141 -44.799 -1.827 1.00 27.27 O ATOM 631 CB TYR A 461 89.781 -44.015 -4.455 1.00 19.67 C ATOM 632 CG TYR A 461 90.220 -42.821 -5.284 1.00 26.72 C ATOM 633 CD1 TYR A 461 90.195 -41.529 -4.773 1.00 29.63 C ATOM 634 CD2 TYR A 461 90.652 -42.994 -6.586 1.00 17.87 C ATOM 635 CE1 TYR A 461 90.594 -40.450 -5.542 1.00 38.10 C ATOM 636 CE2 TYR A 461 91.050 -41.929 -7.358 1.00 24.06 C ATOM 637 CZ TYR A 461 91.022 -40.662 -6.837 1.00 36.15 C ATOM 638 OH TYR A 461 91.428 -39.612 -7.623 1.00 49.61 O ATOM 639 HH TYR A 461 92.370 -39.750 -7.895 1.00 0.00 H ATOM 640 H TYR A 461 92.120 -44.261 -3.431 1.00 0.00 H ATOM 641 N GLY A 462 89.908 -46.158 -2.043 1.00 29.08 N ATOM 642 CA GLY A 462 89.252 -47.252 -1.358 1.00 27.94 C ATOM 643 C GLY A 462 89.892 -48.579 -1.718 1.00 23.93 C ATOM 644 O GLY A 462 90.983 -48.636 -2.285 1.00 28.29 O ATOM 645 H GLY A 462 90.875 -46.286 -2.403 1.00 0.00 H ATOM 646 N VAL A 463 89.179 -49.650 -1.380 1.00 20.06 N ATOM 647 CA VAL A 463 89.728 -50.996 -1.470 1.00 30.52 C ATOM 648 C VAL A 463 88.655 -51.969 -1.934 1.00 26.81 C ATOM 649 O VAL A 463 87.457 -51.682 -1.886 1.00 24.89 O ATOM 650 CB VAL A 463 90.307 -51.480 -0.118 1.00 28.46 C ATOM 651 CG1 VAL A 463 91.432 -50.574 0.339 1.00 32.80 C ATOM 652 CG2 VAL A 463 89.214 -51.561 0.937 1.00 19.49 C ATOM 653 H VAL A 463 88.204 -49.523 -1.042 1.00 0.00 H ATOM 654 N CYS A 464 89.114 -53.136 -2.392 1.00 20.74 N ATOM 655 CA CYS A 464 88.272 -54.305 -2.622 1.00 24.55 C ATOM 656 C CYS A 464 88.851 -55.451 -1.809 1.00 30.12 C ATOM 657 O CYS A 464 89.995 -55.855 -2.033 1.00 24.32 O ATOM 658 CB CYS A 464 88.222 -54.684 -4.102 1.00 29.48 C ATOM 659 SG CYS A 464 87.900 -53.318 -5.210 1.00 27.95 S ATOM 660 H CYS A 464 90.130 -53.216 -2.597 1.00 0.00 H ATOM 661 N THR A 465 88.081 -55.960 -0.854 1.00 31.84 N ATOM 662 CA THR A 465 88.577 -56.987 0.046 1.00 23.83 C ATOM 663 C THR A 465 87.720 -58.236 0.062 1.00 23.91 C ATOM 664 O THR A 465 88.045 -59.174 0.790 1.00 36.40 O ATOM 665 CB THR A 465 88.701 -56.432 1.471 1.00 32.71 C ATOM 666 OG1 THR A 465 87.430 -55.940 1.918 1.00 36.25 O ATOM 667 CG2 THR A 465 89.730 -55.303 1.503 1.00 33.27 C ATOM 668 HG1 THR A 465 87.125 -55.219 1.312 1.00 0.00 H ATOM 669 H THR A 465 87.105 -55.617 -0.748 1.00 0.00 H ATOM 670 N LYS A 466 86.643 -58.285 -0.712 1.00 36.21 N ATOM 671 CA LYS A 466 85.798 -59.470 -0.743 1.00 38.30 C ATOM 672 C LYS A 466 86.352 -60.560 -1.648 1.00 34.26 C ATOM 673 O LYS A 466 85.705 -61.599 -1.813 1.00 33.24 O ATOM 674 CB LYS A 466 84.383 -59.092 -1.200 1.00 44.34 C ATOM 675 CG LYS A 466 83.770 -57.899 -0.455 1.00 31.77 C ATOM 676 CD LYS A 466 83.856 -58.044 1.041 1.00 42.25 C ATOM 677 CE LYS A 466 82.526 -57.735 1.699 1.00 62.67 C ATOM 678 NZ LYS A 466 81.984 -56.392 1.360 1.00 71.95 N ATOM 679 HZ1 LYS A 466 82.657 -55.661 1.666 1.00 0.00 H ATOM 680 HZ2 LYS A 466 81.842 -56.326 0.332 1.00 0.00 H ATOM 681 HZ3 LYS A 466 81.075 -56.254 1.846 1.00 0.00 H ATOM 682 H LYS A 466 86.399 -57.466 -1.304 1.00 0.00 H ATOM 683 N GLN A 467 87.519 -60.339 -2.245 1.00 39.82 N ATOM 684 CA GLN A 467 88.127 -61.284 -3.165 1.00 45.73 C ATOM 685 C GLN A 467 89.636 -61.195 -3.009 1.00 41.71 C ATOM 686 O GLN A 467 90.166 -60.208 -2.493 1.00 44.70 O ATOM 687 CB GLN A 467 87.725 -60.988 -4.614 1.00 51.68 C ATOM 688 CG GLN A 467 86.331 -61.446 -4.970 1.00 66.88 C ATOM 689 CD GLN A 467 86.220 -62.954 -4.972 1.00 76.69 C ATOM 690 OE1 GLN A 467 87.042 -63.641 -5.575 1.00 94.74 O ATOM 691 NE2 GLN A 467 85.215 -63.478 -4.283 1.00 65.75 N ATOM 692 HE22 GLN A 467 84.544 -62.856 -3.788 1.00 0.00 H ATOM 693 HE21 GLN A 467 85.098 -64.510 -4.237 1.00 0.00 H ATOM 694 H GLN A 467 88.019 -59.449 -2.044 1.00 0.00 H ATOM 695 N ARG A 468 90.327 -62.237 -3.464 1.00 37.34 N ATOM 696 CA ARG A 468 91.780 -62.203 -3.493 1.00 39.88 C ATOM 697 C ARG A 468 92.273 -62.271 -4.937 1.00 31.14 C ATOM 698 O ARG A 468 91.685 -62.987 -5.756 1.00 28.55 O ATOM 699 CB ARG A 468 92.385 -63.360 -2.681 1.00 50.99 C ATOM 700 CG ARG A 468 92.234 -63.222 -1.160 1.00 67.54 C ATOM 701 CD ARG A 468 93.212 -62.203 -0.579 1.00 72.53 C ATOM 702 NE ARG A 468 93.112 -62.076 0.876 1.00 85.61 N ATOM 703 CZ ARG A 468 92.105 -61.481 1.515 1.00 92.04 C ATOM 704 NH1 ARG A 468 91.088 -60.968 0.834 1.00 83.33 N ATOM 705 NH2 ARG A 468 92.107 -61.405 2.841 1.00 93.35 N ATOM 706 HE ARG A 468 93.880 -62.478 1.451 1.00 0.00 H ATOM 707 HH12 ARG A 468 90.305 -60.505 1.338 1.00 0.00 H ATOM 708 HH11 ARG A 468 91.074 -61.029 -0.204 1.00 0.00 H ATOM 709 HH22 ARG A 468 91.320 -60.940 3.336 1.00 0.00 H ATOM 710 HH21 ARG A 468 92.896 -61.810 3.384 1.00 0.00 H ATOM 711 H ARG A 468 89.824 -63.082 -3.801 1.00 0.00 H ATOM 712 N PRO A 469 93.329 -61.523 -5.293 1.00 35.63 N ATOM 713 CA PRO A 469 94.039 -60.595 -4.410 1.00 36.52 C ATOM 714 C PRO A 469 93.212 -59.351 -4.116 1.00 34.77 C ATOM 715 O PRO A 469 92.364 -58.963 -4.924 1.00 33.68 O ATOM 716 CB PRO A 469 95.304 -60.237 -5.205 1.00 35.46 C ATOM 717 CG PRO A 469 95.182 -60.916 -6.529 1.00 36.95 C ATOM 718 CD PRO A 469 93.780 -61.381 -6.682 1.00 25.03 C ATOM 719 N ILE A 470 93.449 -58.739 -2.958 1.00 32.25 N ATOM 720 CA ILE A 470 92.759 -57.501 -2.624 1.00 28.89 C ATOM 721 C ILE A 470 93.301 -56.374 -3.495 1.00 25.51 C ATOM 722 O ILE A 470 94.445 -56.420 -3.979 1.00 20.35 O ATOM 723 CB ILE A 470 92.898 -57.191 -1.121 1.00 28.30 C ATOM 724 CG1 ILE A 470 94.367 -57.074 -0.715 1.00 35.08 C ATOM 725 CG2 ILE A 470 92.224 -58.286 -0.311 1.00 30.29 C ATOM 726 CD1 ILE A 470 94.587 -56.915 0.781 1.00 34.66 C ATOM 727 H ILE A 470 94.131 -59.148 -2.288 1.00 0.00 H ATOM 728 N PHE A 471 92.450 -55.377 -3.745 1.00 22.15 N ATOM 729 CA PHE A 471 92.812 -54.211 -4.543 1.00 23.39 C ATOM 730 C PHE A 471 92.931 -52.986 -3.651 1.00 18.46 C ATOM 731 O PHE A 471 92.108 -52.772 -2.751 1.00 20.92 O ATOM 732 CB PHE A 471 91.781 -53.891 -5.645 1.00 21.54 C ATOM 733 CG PHE A 471 91.565 -54.988 -6.653 1.00 35.51 C ATOM 734 CD1 PHE A 471 92.532 -55.946 -6.906 1.00 21.21 C ATOM 735 CD2 PHE A 471 90.376 -55.038 -7.371 1.00 28.92 C ATOM 736 CE1 PHE A 471 92.307 -56.946 -7.839 1.00 28.88 C ATOM 737 CE2 PHE A 471 90.151 -56.027 -8.314 1.00 22.44 C ATOM 738 CZ PHE A 471 91.112 -56.984 -8.544 1.00 24.71 C ATOM 739 H PHE A 471 91.488 -55.434 -3.354 1.00 0.00 H ATOM 740 N ILE A 472 93.930 -52.158 -3.938 1.00 22.75 N ATOM 741 CA ILE A 472 94.011 -50.799 -3.412 1.00 20.80 C ATOM 742 C ILE A 472 93.908 -49.852 -4.591 1.00 21.59 C ATOM 743 O ILE A 472 94.696 -49.952 -5.540 1.00 17.74 O ATOM 744 CB ILE A 472 95.310 -50.562 -2.627 1.00 22.47 C ATOM 745 CG1 ILE A 472 95.293 -51.386 -1.339 1.00 21.62 C ATOM 746 CG2 ILE A 472 95.473 -49.092 -2.300 1.00 33.50 C ATOM 747 CD1 ILE A 472 96.596 -51.404 -0.615 1.00 26.59 C ATOM 748 H ILE A 472 94.688 -52.494 -4.566 1.00 0.00 H ATOM 749 N ILE A 473 92.941 -48.939 -4.542 1.00 16.85 N ATOM 750 CA ILE A 473 92.641 -48.059 -5.667 1.00 20.27 C ATOM 751 C ILE A 473 93.023 -46.647 -5.269 1.00 19.38 C ATOM 752 O ILE A 473 92.590 -46.152 -4.222 1.00 16.26 O ATOM 753 CB ILE A 473 91.161 -48.147 -6.080 1.00 22.22 C ATOM 754 CG1 ILE A 473 90.816 -49.589 -6.478 1.00 28.83 C ATOM 755 CG2 ILE A 473 90.876 -47.245 -7.278 1.00 19.23 C ATOM 756 CD1 ILE A 473 90.428 -50.483 -5.328 1.00 48.84 C ATOM 757 H ILE A 473 92.379 -48.849 -3.671 1.00 0.00 H ATOM 758 N THR A 474 93.842 -46.003 -6.093 1.00 26.19 N ATOM 759 CA THR A 474 94.372 -44.691 -5.759 1.00 28.88 C ATOM 760 C THR A 474 94.237 -43.754 -6.948 1.00 23.50 C ATOM 761 O THR A 474 93.977 -44.167 -8.082 1.00 22.62 O ATOM 762 CB THR A 474 95.850 -44.750 -5.330 1.00 22.18 C ATOM 763 OG1 THR A 474 96.685 -44.973 -6.482 1.00 22.16 O ATOM 764 CG2 THR A 474 96.084 -45.852 -4.316 1.00 20.94 C ATOM 765 HG1 THR A 474 97.633 -45.010 -6.199 1.00 0.00 H ATOM 766 H THR A 474 94.109 -46.446 -6.995 1.00 0.00 H ATOM 767 N GLU A 475 94.465 -42.479 -6.644 1.00 20.75 N ATOM 768 CA GLU A 475 94.498 -41.409 -7.625 1.00 22.19 C ATOM 769 C GLU A 475 95.601 -41.668 -8.651 1.00 23.64 C ATOM 770 O GLU A 475 96.714 -42.052 -8.286 1.00 28.89 O ATOM 771 CB GLU A 475 94.739 -40.098 -6.872 1.00 17.62 C ATOM 772 CG GLU A 475 94.821 -38.835 -7.711 1.00 23.58 C ATOM 773 CD GLU A 475 95.092 -37.589 -6.853 1.00 28.49 C ATOM 774 OE1 GLU A 475 95.425 -36.542 -7.436 1.00 19.67 O ATOM 775 OE2 GLU A 475 94.981 -37.650 -5.601 1.00 19.21 O ATOM 776 H GLU A 475 94.629 -42.235 -5.646 1.00 0.00 H ATOM 777 N TYR A 476 95.283 -41.490 -9.936 1.00 18.39 N ATOM 778 CA TYR A 476 96.260 -41.668 -11.011 1.00 19.72 C ATOM 779 C TYR A 476 97.023 -40.377 -11.298 1.00 17.24 C ATOM 780 O TYR A 476 96.450 -39.285 -11.291 1.00 22.00 O ATOM 781 CB TYR A 476 95.578 -42.155 -12.290 1.00 17.66 C ATOM 782 CG TYR A 476 96.528 -42.344 -13.453 1.00 20.84 C ATOM 783 CD1 TYR A 476 97.426 -43.407 -13.478 1.00 18.79 C ATOM 784 CD2 TYR A 476 96.520 -41.466 -14.531 1.00 22.78 C ATOM 785 CE1 TYR A 476 98.295 -43.578 -14.538 1.00 20.22 C ATOM 786 CE2 TYR A 476 97.378 -41.637 -15.603 1.00 22.98 C ATOM 787 CZ TYR A 476 98.268 -42.686 -15.596 1.00 22.00 C ATOM 788 OH TYR A 476 99.123 -42.843 -16.662 1.00 21.30 O ATOM 789 HH TYR A 476 98.596 -42.970 -17.490 1.00 0.00 H ATOM 790 H TYR A 476 94.310 -41.216 -10.180 1.00 0.00 H ATOM 791 N MET A 477 98.323 -40.522 -11.560 1.00 15.56 N ATOM 792 CA MET A 477 99.247 -39.401 -11.738 1.00 15.42 C ATOM 793 C MET A 477 99.990 -39.641 -13.043 1.00 15.73 C ATOM 794 O MET A 477 100.821 -40.550 -13.127 1.00 18.33 O ATOM 795 CB MET A 477 100.219 -39.293 -10.566 1.00 15.64 C ATOM 796 CG MET A 477 99.545 -39.155 -9.220 1.00 23.71 C ATOM 797 SD MET A 477 98.764 -37.555 -8.992 1.00 20.66 S ATOM 798 CE MET A 477 100.213 -36.529 -8.739 1.00 23.36 C ATOM 799 H MET A 477 98.702 -41.487 -11.643 1.00 0.00 H ATOM 800 N ALA A 478 99.685 -38.833 -14.061 1.00 16.22 N ATOM 801 CA ALA A 478 100.037 -39.183 -15.437 1.00 16.77 C ATOM 802 C ALA A 478 101.537 -39.185 -15.688 1.00 16.62 C ATOM 803 O ALA A 478 102.007 -39.876 -16.601 1.00 17.05 O ATOM 804 CB ALA A 478 99.347 -38.220 -16.406 1.00 21.90 C ATOM 805 H ALA A 478 99.188 -37.939 -13.872 1.00 0.00 H ATOM 806 N ASN A 479 102.311 -38.419 -14.922 1.00 19.04 N ATOM 807 CA ASN A 479 103.738 -38.302 -15.189 1.00 24.45 C ATOM 808 C ASN A 479 104.587 -39.243 -14.331 1.00 17.57 C ATOM 809 O ASN A 479 105.821 -39.201 -14.405 1.00 19.62 O ATOM 810 CB ASN A 479 104.160 -36.846 -15.015 1.00 18.89 C ATOM 811 CG ASN A 479 103.992 -36.060 -16.287 1.00 19.60 C ATOM 812 OD1 ASN A 479 104.418 -36.505 -17.346 1.00 24.22 O ATOM 813 ND2 ASN A 479 103.369 -34.899 -16.199 1.00 16.94 N ATOM 814 HD22 ASN A 479 103.025 -34.562 -15.277 1.00 0.00 H ATOM 815 HD21 ASN A 479 103.223 -34.321 -17.051 1.00 0.00 H ATOM 816 H ASN A 479 101.892 -37.899 -14.125 1.00 0.00 H ATOM 817 N GLY A 480 103.952 -40.100 -13.544 1.00 17.29 N ATOM 818 CA GLY A 480 104.650 -41.144 -12.826 1.00 18.20 C ATOM 819 C GLY A 480 105.412 -40.610 -11.640 1.00 17.02 C ATOM 820 O GLY A 480 105.092 -39.536 -11.111 1.00 20.33 O ATOM 821 H GLY A 480 102.920 -40.019 -13.440 1.00 0.00 H TER 822 GLY A 480 ATOM 823 N LEU A 482 108.314 -39.156 -9.105 1.00 15.35 N ATOM 824 CA LEU A 482 109.095 -37.940 -9.162 1.00 19.10 C ATOM 825 C LEU A 482 110.548 -38.186 -9.522 1.00 19.12 C ATOM 826 O LEU A 482 111.187 -37.342 -10.156 1.00 17.50 O ATOM 827 CB LEU A 482 109.010 -37.198 -7.811 1.00 16.78 C ATOM 828 CG LEU A 482 109.873 -35.945 -7.663 1.00 17.91 C ATOM 829 CD1 LEU A 482 109.457 -34.912 -8.682 1.00 17.68 C ATOM 830 CD2 LEU A 482 109.717 -35.374 -6.266 1.00 17.29 C ATOM 831 HN3 LEU A 482 108.715 -39.791 -8.386 1.00 0.00 H ATOM 832 HN2 LEU A 482 108.335 -39.624 -10.033 1.00 0.00 H ATOM 833 HN1 LEU A 482 107.332 -38.924 -8.855 1.00 0.00 H ATOM 834 N LEU A 483 111.106 -39.320 -9.105 1.00 20.88 N ATOM 835 CA LEU A 483 112.524 -39.539 -9.364 1.00 19.60 C ATOM 836 C LEU A 483 112.782 -39.652 -10.867 1.00 18.32 C ATOM 837 O LEU A 483 113.689 -39.007 -11.410 1.00 15.87 O ATOM 838 CB LEU A 483 113.012 -40.784 -8.613 1.00 21.55 C ATOM 839 CG LEU A 483 114.495 -41.130 -8.763 1.00 28.56 C ATOM 840 CD1 LEU A 483 115.360 -39.962 -8.328 1.00 27.92 C ATOM 841 CD2 LEU A 483 114.855 -42.383 -7.968 1.00 27.33 C ATOM 842 H LEU A 483 110.542 -40.036 -8.604 1.00 0.00 H ATOM 843 N ASN A 484 111.968 -40.435 -11.570 1.00 16.89 N ATOM 844 CA ASN A 484 112.145 -40.534 -13.018 1.00 16.25 C ATOM 845 C ASN A 484 111.787 -39.231 -13.728 1.00 16.22 C ATOM 846 O ASN A 484 112.385 -38.906 -14.762 1.00 16.80 O ATOM 847 CB ASN A 484 111.304 -41.677 -13.576 1.00 30.59 C ATOM 848 CG ASN A 484 112.000 -43.005 -13.469 1.00 38.74 C ATOM 849 OD1 ASN A 484 113.217 -43.083 -13.607 1.00 42.46 O ATOM 850 ND2 ASN A 484 111.234 -44.062 -13.225 1.00 61.84 N ATOM 851 HD22 ASN A 484 110.206 -43.945 -13.116 1.00 0.00 H ATOM 852 HD21 ASN A 484 111.662 -45.006 -13.143 1.00 0.00 H ATOM 853 H ASN A 484 111.214 -40.971 -11.095 1.00 0.00 H ATOM 854 N TYR A 485 110.801 -38.499 -13.203 1.00 15.87 N ATOM 855 CA TYR A 485 110.403 -37.211 -13.770 1.00 16.93 C ATOM 856 C TYR A 485 111.546 -36.207 -13.696 1.00 15.76 C ATOM 857 O TYR A 485 111.894 -35.558 -14.692 1.00 16.32 O ATOM 858 CB TYR A 485 109.178 -36.693 -13.011 1.00 15.50 C ATOM 859 CG TYR A 485 108.543 -35.460 -13.605 1.00 20.65 C ATOM 860 CD1 TYR A 485 107.795 -35.540 -14.772 1.00 31.00 C ATOM 861 CD2 TYR A 485 108.667 -34.218 -12.987 1.00 20.55 C ATOM 862 CE1 TYR A 485 107.198 -34.427 -15.318 1.00 22.27 C ATOM 863 CE2 TYR A 485 108.064 -33.094 -13.529 1.00 23.39 C ATOM 864 CZ TYR A 485 107.332 -33.211 -14.693 1.00 29.03 C ATOM 865 OH TYR A 485 106.727 -32.118 -15.252 1.00 29.68 O ATOM 866 HH TYR A 485 106.251 -32.391 -16.076 1.00 0.00 H ATOM 867 H TYR A 485 110.300 -38.856 -12.364 1.00 0.00 H ATOM 868 N LEU A 486 112.154 -36.080 -12.517 1.00 16.95 N ATOM 869 CA LEU A 486 113.329 -35.227 -12.356 1.00 19.00 C ATOM 870 C LEU A 486 114.400 -35.568 -13.385 1.00 16.95 C ATOM 871 O LEU A 486 114.952 -34.686 -14.049 1.00 18.99 O ATOM 872 CB LEU A 486 113.896 -35.384 -10.944 1.00 14.50 C ATOM 873 CG LEU A 486 113.065 -34.714 -9.842 1.00 17.50 C ATOM 874 CD1 LEU A 486 113.456 -35.242 -8.474 1.00 24.22 C ATOM 875 CD2 LEU A 486 113.212 -33.189 -9.924 1.00 16.99 C ATOM 876 H LEU A 486 111.785 -36.599 -11.695 1.00 0.00 H ATOM 877 N ARG A 487 114.700 -36.855 -13.531 1.00 16.90 N ATOM 878 CA ARG A 487 115.829 -37.262 -14.362 1.00 22.51 C ATOM 879 C ARG A 487 115.526 -37.074 -15.842 1.00 18.22 C ATOM 880 O ARG A 487 116.410 -36.701 -16.616 1.00 21.77 O ATOM 881 CB ARG A 487 116.186 -38.716 -14.059 1.00 22.88 C ATOM 882 CG ARG A 487 116.674 -38.936 -12.637 1.00 19.57 C ATOM 883 CD ARG A 487 116.911 -40.408 -12.346 1.00 23.26 C ATOM 884 NE ARG A 487 117.950 -40.974 -13.208 1.00 43.84 N ATOM 885 CZ ARG A 487 119.257 -40.790 -13.033 1.00 47.78 C ATOM 886 NH1 ARG A 487 119.708 -40.045 -12.032 1.00 45.55 N ATOM 887 NH2 ARG A 487 120.117 -41.350 -13.867 1.00 45.41 N ATOM 888 HE ARG A 487 117.647 -41.560 -14.012 1.00 0.00 H ATOM 889 HH12 ARG A 487 120.731 -39.908 -11.905 1.00 0.00 H ATOM 890 HH11 ARG A 487 119.038 -39.598 -11.374 1.00 0.00 H ATOM 891 HH22 ARG A 487 121.139 -41.208 -13.733 1.00 0.00 H ATOM 892 HH21 ARG A 487 119.772 -41.932 -14.657 1.00 0.00 H ATOM 893 H ARG A 487 114.126 -37.577 -13.050 1.00 0.00 H ATOM 894 N GLU A 488 114.277 -37.311 -16.249 1.00 21.97 N ATOM 895 CA GLU A 488 113.887 -37.178 -17.651 1.00 22.19 C ATOM 896 C GLU A 488 113.744 -35.722 -18.083 1.00 26.90 C ATOM 897 O GLU A 488 114.009 -35.397 -19.246 1.00 23.99 O ATOM 898 CB GLU A 488 112.568 -37.917 -17.892 1.00 27.00 C ATOM 899 CG GLU A 488 112.699 -39.435 -17.912 1.00 57.69 C ATOM 900 CD GLU A 488 113.341 -39.954 -19.186 1.00 89.76 C ATOM 901 OE1 GLU A 488 113.252 -39.262 -20.221 1.00102.83 O ATOM 902 OE2 GLU A 488 113.936 -41.052 -19.153 1.00103.37 O ATOM 903 H GLU A 488 113.563 -37.598 -15.550 1.00 0.00 H ATOM 904 N MET A 489 113.326 -34.839 -17.172 1.00 23.44 N ATOM 905 CA MET A 489 113.121 -33.423 -17.464 1.00 34.30 C ATOM 906 C MET A 489 114.227 -32.569 -16.858 1.00 31.77 C ATOM 907 O MET A 489 114.084 -31.348 -16.730 1.00 23.72 O ATOM 908 CB MET A 489 111.756 -32.964 -16.949 1.00 42.84 C ATOM 909 CG MET A 489 110.586 -33.861 -17.350 1.00 36.31 C ATOM 910 SD MET A 489 110.358 -33.971 -19.127 1.00 42.23 S ATOM 911 CE MET A 489 109.893 -32.281 -19.489 1.00 56.92 C ATOM 912 H MET A 489 113.137 -35.177 -16.207 1.00 0.00 H ATOM 913 N ARG A 490 115.339 -33.211 -16.514 1.00 19.57 N ATOM 914 CA ARG A 490 116.407 -32.602 -15.736 1.00 29.32 C ATOM 915 C ARG A 490 116.813 -31.222 -16.261 1.00 33.57 C ATOM 916 O ARG A 490 117.058 -30.301 -15.473 1.00 32.05 O ATOM 917 CB ARG A 490 117.568 -33.601 -15.738 1.00 21.06 C ATOM 918 CG ARG A 490 118.901 -33.133 -15.296 1.00 33.88 C ATOM 919 CD ARG A 490 119.848 -34.327 -15.265 1.00 36.17 C ATOM 920 NE ARG A 490 119.691 -35.145 -14.061 1.00 39.60 N ATOM 921 CZ ARG A 490 120.538 -36.111 -13.707 1.00 29.22 C ATOM 922 NH1 ARG A 490 120.348 -36.806 -12.595 1.00 23.61 N ATOM 923 NH2 ARG A 490 121.586 -36.382 -14.471 1.00 31.30 N ATOM 924 HE ARG A 490 118.872 -34.962 -13.447 1.00 0.00 H ATOM 925 HH12 ARG A 490 121.017 -37.557 -12.331 1.00 0.00 H ATOM 926 HH11 ARG A 490 119.530 -36.600 -11.987 1.00 0.00 H ATOM 927 HH22 ARG A 490 122.248 -37.135 -14.197 1.00 0.00 H ATOM 928 HH21 ARG A 490 121.746 -35.841 -15.345 1.00 0.00 H ATOM 929 H ARG A 490 115.451 -34.200 -16.817 1.00 0.00 H ATOM 930 N HIS A 491 116.858 -31.043 -17.579 1.00 28.68 N ATOM 931 CA HIS A 491 117.392 -29.814 -18.159 1.00 32.62 C ATOM 932 C HIS A 491 116.336 -28.737 -18.388 1.00 28.34 C ATOM 933 O HIS A 491 116.657 -27.692 -18.957 1.00 38.89 O ATOM 934 CB HIS A 491 118.104 -30.123 -19.484 1.00 37.21 C ATOM 935 CG HIS A 491 119.013 -31.308 -19.408 1.00 29.69 C ATOM 936 ND1 HIS A 491 118.592 -32.586 -19.707 1.00 32.17 N ATOM 937 CD2 HIS A 491 120.310 -31.416 -19.034 1.00 33.92 C ATOM 938 CE1 HIS A 491 119.594 -33.429 -19.532 1.00 37.60 C ATOM 939 NE2 HIS A 491 120.649 -32.745 -19.128 1.00 28.34 N ATOM 940 H HIS A 491 116.506 -31.793 -18.208 1.00 0.00 H ATOM 941 N ARG A 492 115.094 -28.958 -17.963 1.00 28.87 N ATOM 942 CA ARG A 492 114.035 -27.976 -18.173 1.00 26.72 C ATOM 943 C ARG A 492 113.718 -27.149 -16.940 1.00 23.11 C ATOM 944 O ARG A 492 113.160 -26.052 -17.066 1.00 28.28 O ATOM 945 CB ARG A 492 112.741 -28.666 -18.602 1.00 40.66 C ATOM 946 CG ARG A 492 112.738 -29.218 -20.000 1.00 55.28 C ATOM 947 CD ARG A 492 111.313 -29.281 -20.492 1.00 63.26 C ATOM 948 NE ARG A 492 110.802 -27.962 -20.845 1.00 83.54 N ATOM 949 CZ ARG A 492 109.527 -27.701 -21.109 1.00 87.68 C ATOM 950 NH1 ARG A 492 108.623 -28.670 -21.053 1.00101.25 N ATOM 951 NH2 ARG A 492 109.158 -26.467 -21.424 1.00 66.62 N ATOM 952 HE ARG A 492 111.480 -27.175 -20.893 1.00 0.00 H ATOM 953 HH12 ARG A 492 107.625 -28.463 -21.260 1.00 0.00 H ATOM 954 HH11 ARG A 492 108.912 -29.637 -20.802 1.00 0.00 H ATOM 955 HH22 ARG A 492 108.160 -26.260 -21.631 1.00 0.00 H ATOM 956 HH21 ARG A 492 109.866 -25.707 -21.464 1.00 0.00 H ATOM 957 H ARG A 492 114.874 -29.848 -17.472 1.00 0.00 H ATOM 958 N PHE A 493 114.024 -27.653 -15.755 1.00 21.66 N ATOM 959 CA PHE A 493 113.510 -27.025 -14.556 1.00 17.53 C ATOM 960 C PHE A 493 114.224 -25.719 -14.255 1.00 25.52 C ATOM 961 O PHE A 493 115.445 -25.613 -14.384 1.00 27.24 O ATOM 962 CB PHE A 493 113.657 -27.954 -13.354 1.00 22.33 C ATOM 963 CG PHE A 493 112.912 -29.236 -13.479 1.00 24.74 C ATOM 964 CD1 PHE A 493 111.533 -29.256 -13.448 1.00 27.79 C ATOM 965 CD2 PHE A 493 113.597 -30.431 -13.589 1.00 28.67 C ATOM 966 CE1 PHE A 493 110.845 -30.458 -13.546 1.00 30.63 C ATOM 967 CE2 PHE A 493 112.925 -31.624 -13.687 1.00 25.91 C ATOM 968 CZ PHE A 493 111.544 -31.638 -13.663 1.00 31.94 C ATOM 969 H PHE A 493 114.630 -28.495 -15.686 1.00 0.00 H ATOM 970 N GLN A 494 113.441 -24.716 -13.874 1.00 31.11 N ATOM 971 CA GLN A 494 113.967 -23.525 -13.236 1.00 35.57 C ATOM 972 C GLN A 494 114.132 -23.798 -11.743 1.00 27.02 C ATOM 973 O GLN A 494 113.580 -24.760 -11.204 1.00 19.36 O ATOM 974 CB GLN A 494 113.027 -22.338 -13.452 1.00 40.22 C ATOM 975 CG GLN A 494 112.481 -22.187 -14.873 1.00 39.89 C ATOM 976 CD GLN A 494 111.394 -21.132 -14.957 1.00 35.64 C ATOM 977 OE1 GLN A 494 111.490 -20.190 -15.736 1.00 35.94 O ATOM 978 NE2 GLN A 494 110.355 -21.284 -14.142 1.00 42.13 N ATOM 979 HE22 GLN A 494 110.315 -22.099 -13.497 1.00 0.00 H ATOM 980 HE21 GLN A 494 109.582 -20.588 -14.149 1.00 0.00 H ATOM 981 H GLN A 494 112.417 -24.787 -14.039 1.00 0.00 H ATOM 982 N THR A 495 114.899 -22.941 -11.064 1.00 23.76 N ATOM 983 CA THR A 495 115.043 -23.115 -9.614 1.00 28.83 C ATOM 984 C THR A 495 113.728 -22.878 -8.886 1.00 22.03 C ATOM 985 O THR A 495 113.442 -23.554 -7.891 1.00 22.59 O ATOM 986 CB THR A 495 116.127 -22.192 -9.048 1.00 29.03 C ATOM 987 OG1 THR A 495 115.861 -20.833 -9.424 1.00 34.16 O ATOM 988 CG2 THR A 495 117.494 -22.608 -9.574 1.00 29.40 C ATOM 989 HG1 THR A 495 115.854 -20.760 -10.411 1.00 0.00 H ATOM 990 H THR A 495 115.386 -22.164 -11.554 1.00 0.00 H ATOM 991 N GLN A 496 112.906 -21.944 -9.376 1.00 21.22 N ATOM 992 CA GLN A 496 111.613 -21.687 -8.743 1.00 24.38 C ATOM 993 C GLN A 496 110.700 -22.901 -8.834 1.00 25.30 C ATOM 994 O GLN A 496 109.926 -23.168 -7.906 1.00 24.80 O ATOM 995 CB GLN A 496 110.941 -20.464 -9.378 1.00 21.30 C ATOM 996 H GLN A 496 113.188 -21.396 -10.214 1.00 0.00 H ATOM 997 N GLN A 497 110.793 -23.668 -9.920 1.00 24.04 N ATOM 998 CA GLN A 497 110.001 -24.886 -10.019 1.00 16.09 C ATOM 999 C GLN A 497 110.499 -25.944 -9.048 1.00 15.17 C ATOM 1000 O GLN A 497 109.703 -26.725 -8.510 1.00 19.71 O ATOM 1001 CB GLN A 497 110.027 -25.422 -11.450 1.00 23.80 C ATOM 1002 CG GLN A 497 109.294 -24.538 -12.457 1.00 31.84 C ATOM 1003 CD GLN A 497 109.516 -24.982 -13.892 1.00 36.58 C ATOM 1004 OE1 GLN A 497 110.653 -25.145 -14.334 1.00 29.27 O ATOM 1005 NE2 GLN A 497 108.429 -25.188 -14.623 1.00 50.05 N ATOM 1006 HE22 GLN A 497 107.487 -25.038 -14.208 1.00 0.00 H ATOM 1007 HE21 GLN A 497 108.518 -25.500 -15.611 1.00 0.00 H ATOM 1008 H GLN A 497 111.430 -23.397 -10.696 1.00 0.00 H ATOM 1009 N LEU A 498 111.809 -26.016 -8.832 1.00 15.12 N ATOM 1010 CA LEU A 498 112.315 -26.960 -7.846 1.00 14.45 C ATOM 1011 C LEU A 498 111.758 -26.625 -6.472 1.00 14.16 C ATOM 1012 O LEU A 498 111.325 -27.515 -5.729 1.00 16.77 O ATOM 1013 CB LEU A 498 113.844 -26.956 -7.840 1.00 19.62 C ATOM 1014 CG LEU A 498 114.476 -27.334 -9.185 1.00 18.12 C ATOM 1015 CD1 LEU A 498 115.973 -27.178 -9.141 1.00 19.83 C ATOM 1016 CD2 LEU A 498 114.110 -28.779 -9.580 1.00 22.61 C ATOM 1017 H LEU A 498 112.464 -25.405 -9.361 1.00 0.00 H ATOM 1018 N LEU A 499 111.741 -25.342 -6.127 1.00 18.13 N ATOM 1019 CA LEU A 499 111.250 -24.945 -4.818 1.00 17.26 C ATOM 1020 C LEU A 499 109.762 -25.248 -4.698 1.00 27.16 C ATOM 1021 O LEU A 499 109.298 -25.682 -3.638 1.00 23.73 O ATOM 1022 CB LEU A 499 111.547 -23.466 -4.573 1.00 22.03 C ATOM 1023 CG LEU A 499 111.255 -22.923 -3.176 1.00 24.80 C ATOM 1024 CD1 LEU A 499 112.138 -23.587 -2.156 1.00 26.17 C ATOM 1025 CD2 LEU A 499 111.450 -21.402 -3.128 1.00 24.19 C ATOM 1026 H LEU A 499 112.080 -24.620 -6.795 1.00 0.00 H ATOM 1027 N GLU A 500 109.013 -25.070 -5.796 1.00 14.77 N ATOM 1028 CA GLU A 500 107.581 -25.364 -5.805 1.00 17.67 C ATOM 1029 C GLU A 500 107.309 -26.845 -5.559 1.00 17.94 C ATOM 1030 O GLU A 500 106.307 -27.201 -4.926 1.00 23.75 O ATOM 1031 CB GLU A 500 106.976 -24.920 -7.142 1.00 28.10 C ATOM 1032 CG GLU A 500 105.482 -25.180 -7.310 1.00 33.11 C ATOM 1033 CD GLU A 500 104.623 -24.349 -6.377 1.00 35.91 C ATOM 1034 OE1 GLU A 500 103.477 -24.760 -6.114 1.00 35.41 O ATOM 1035 OE2 GLU A 500 105.094 -23.293 -5.901 1.00 24.81 O ATOM 1036 H GLU A 500 109.462 -24.714 -6.664 1.00 0.00 H ATOM 1037 N MET A 501 108.162 -27.730 -6.089 1.00 19.25 N ATOM 1038 CA MET A 501 107.990 -29.158 -5.839 1.00 21.66 C ATOM 1039 C MET A 501 108.186 -29.469 -4.367 1.00 26.54 C ATOM 1040 O MET A 501 107.435 -30.261 -3.783 1.00 18.49 O ATOM 1041 CB MET A 501 108.979 -29.971 -6.678 1.00 16.21 C ATOM 1042 CG MET A 501 108.718 -29.940 -8.172 1.00 15.79 C ATOM 1043 SD MET A 501 110.016 -30.820 -9.076 1.00 29.15 S ATOM 1044 CE MET A 501 109.240 -31.068 -10.649 1.00 30.73 C ATOM 1045 H MET A 501 108.950 -27.399 -6.681 1.00 0.00 H ATOM 1046 N CYS A 502 109.206 -28.860 -3.756 1.00 18.03 N ATOM 1047 CA CYS A 502 109.437 -29.038 -2.326 1.00 22.98 C ATOM 1048 C CYS A 502 108.236 -28.550 -1.536 1.00 19.27 C ATOM 1049 O CYS A 502 107.807 -29.193 -0.572 1.00 21.10 O ATOM 1050 CB CYS A 502 110.698 -28.278 -1.891 1.00 21.53 C ATOM 1051 SG CYS A 502 112.286 -28.785 -2.628 1.00 18.47 S ATOM 1052 H CYS A 502 109.844 -28.251 -4.307 1.00 0.00 H ATOM 1053 N LYS A 503 107.674 -27.413 -1.943 1.00 16.47 N ATOM 1054 CA LYS A 503 106.505 -26.880 -1.261 1.00 16.96 C ATOM 1055 C LYS A 503 105.328 -27.841 -1.373 1.00 18.77 C ATOM 1056 O LYS A 503 104.625 -28.094 -0.386 1.00 16.53 O ATOM 1057 CB LYS A 503 106.163 -25.509 -1.845 1.00 13.94 C ATOM 1058 CG LYS A 503 105.026 -24.790 -1.155 1.00 23.51 C ATOM 1059 CD LYS A 503 104.655 -23.505 -1.897 1.00 30.59 C ATOM 1060 CE LYS A 503 103.169 -23.235 -1.855 1.00 46.30 C ATOM 1061 NZ LYS A 503 102.876 -21.785 -2.022 1.00 54.10 N ATOM 1062 HZ1 LYS A 503 103.331 -21.250 -1.255 1.00 0.00 H ATOM 1063 HZ2 LYS A 503 103.245 -21.461 -2.939 1.00 0.00 H ATOM 1064 HZ3 LYS A 503 101.848 -21.634 -1.988 1.00 0.00 H ATOM 1065 H LYS A 503 108.074 -26.902 -2.755 1.00 0.00 H ATOM 1066 N ASP A 504 105.107 -28.396 -2.565 1.00 20.13 N ATOM 1067 CA ASP A 504 104.058 -29.397 -2.739 1.00 17.13 C ATOM 1068 C ASP A 504 104.187 -30.487 -1.688 1.00 17.80 C ATOM 1069 O ASP A 504 103.249 -30.772 -0.942 1.00 17.33 O ATOM 1070 CB ASP A 504 104.151 -30.025 -4.131 1.00 16.18 C ATOM 1071 CG ASP A 504 103.780 -29.077 -5.238 1.00 21.35 C ATOM 1072 OD1 ASP A 504 103.081 -28.072 -4.983 1.00 20.19 O ATOM 1073 OD2 ASP A 504 104.190 -29.363 -6.385 1.00 22.94 O ATOM 1074 H ASP A 504 105.688 -28.113 -3.380 1.00 0.00 H ATOM 1075 N VAL A 505 105.371 -31.081 -1.589 1.00 12.29 N ATOM 1076 CA VAL A 505 105.553 -32.193 -0.665 1.00 12.02 C ATOM 1077 C VAL A 505 105.443 -31.720 0.784 1.00 16.97 C ATOM 1078 O VAL A 505 104.845 -32.394 1.631 1.00 15.02 O ATOM 1079 CB VAL A 505 106.904 -32.875 -0.934 1.00 20.24 C ATOM 1080 CG1 VAL A 505 107.282 -33.835 0.225 1.00 15.00 C ATOM 1081 CG2 VAL A 505 106.868 -33.597 -2.273 1.00 21.74 C ATOM 1082 H VAL A 505 106.168 -30.752 -2.171 1.00 0.00 H ATOM 1083 N CYS A 506 106.040 -30.578 1.096 1.00 20.28 N ATOM 1084 CA CYS A 506 106.001 -30.080 2.463 1.00 18.88 C ATOM 1085 C CYS A 506 104.568 -29.865 2.935 1.00 20.52 C ATOM 1086 O CYS A 506 104.234 -30.138 4.097 1.00 25.23 O ATOM 1087 CB CYS A 506 106.792 -28.781 2.555 1.00 19.36 C ATOM 1088 SG CYS A 506 107.219 -28.378 4.274 1.00 20.54 S ATOM 1089 H CYS A 506 106.538 -30.036 0.361 1.00 0.00 H ATOM 1090 N GLU A 507 103.712 -29.364 2.051 1.00 13.28 N ATOM 1091 CA GLU A 507 102.315 -29.137 2.404 1.00 20.12 C ATOM 1092 C GLU A 507 101.632 -30.451 2.747 1.00 26.56 C ATOM 1093 O GLU A 507 100.947 -30.561 3.771 1.00 18.93 O ATOM 1094 CB GLU A 507 101.585 -28.433 1.260 1.00 21.60 C ATOM 1095 CG GLU A 507 102.023 -26.985 1.035 1.00 29.89 C ATOM 1096 CD GLU A 507 101.337 -26.321 -0.153 1.00 31.49 C ATOM 1097 OE1 GLU A 507 101.018 -25.126 -0.067 1.00 28.31 O ATOM 1098 OE2 GLU A 507 101.108 -26.988 -1.178 1.00 28.57 O ATOM 1099 H GLU A 507 104.043 -29.130 1.093 1.00 0.00 H ATOM 1100 N ALA A 508 101.800 -31.457 1.886 1.00 13.88 N ATOM 1101 CA ALA A 508 101.272 -32.787 2.167 1.00 14.26 C ATOM 1102 C ALA A 508 101.763 -33.306 3.511 1.00 17.80 C ATOM 1103 O ALA A 508 100.997 -33.892 4.276 1.00 19.25 O ATOM 1104 CB ALA A 508 101.686 -33.755 1.062 1.00 14.14 C ATOM 1105 H ALA A 508 102.317 -31.289 0.999 1.00 0.00 H ATOM 1106 N MET A 509 103.051 -33.112 3.804 1.00 20.10 N ATOM 1107 CA MET A 509 103.635 -33.653 5.021 1.00 20.76 C ATOM 1108 C MET A 509 103.219 -32.864 6.256 1.00 18.51 C ATOM 1109 O MET A 509 103.061 -33.457 7.329 1.00 20.13 O ATOM 1110 CB MET A 509 105.157 -33.704 4.894 1.00 14.25 C ATOM 1111 CG MET A 509 105.652 -34.702 3.833 1.00 23.79 C ATOM 1112 SD MET A 509 105.131 -36.419 4.079 1.00 17.61 S ATOM 1113 CE MET A 509 105.702 -36.713 5.744 1.00 25.33 C ATOM 1114 H MET A 509 103.647 -32.565 3.151 1.00 0.00 H ATOM 1115 N GLU A 510 103.064 -31.538 6.137 1.00 20.05 N ATOM 1116 CA GLU A 510 102.459 -30.764 7.220 1.00 21.84 C ATOM 1117 C GLU A 510 101.091 -31.324 7.570 1.00 23.12 C ATOM 1118 O GLU A 510 100.724 -31.411 8.748 1.00 22.19 O ATOM 1119 CB GLU A 510 102.332 -29.286 6.830 1.00 25.06 C ATOM 1120 CG GLU A 510 101.643 -28.404 7.898 1.00 27.38 C ATOM 1121 CD GLU A 510 101.311 -26.998 7.406 1.00 26.76 C ATOM 1122 OE1 GLU A 510 101.475 -26.030 8.185 1.00 21.33 O ATOM 1123 OE2 GLU A 510 100.881 -26.856 6.243 1.00 31.20 O ATOM 1124 H GLU A 510 103.376 -31.057 5.269 1.00 0.00 H ATOM 1125 N TYR A 511 100.321 -31.707 6.552 1.00 19.17 N ATOM 1126 CA TYR A 511 99.009 -32.286 6.788 1.00 22.85 C ATOM 1127 C TYR A 511 99.119 -33.625 7.511 1.00 23.40 C ATOM 1128 O TYR A 511 98.406 -33.873 8.494 1.00 19.30 O ATOM 1129 CB TYR A 511 98.275 -32.441 5.455 1.00 30.09 C ATOM 1130 CG TYR A 511 96.964 -33.177 5.591 1.00 30.54 C ATOM 1131 CD1 TYR A 511 95.816 -32.513 5.996 1.00 24.16 C ATOM 1132 CD2 TYR A 511 96.879 -34.536 5.334 1.00 26.94 C ATOM 1133 CE1 TYR A 511 94.615 -33.189 6.136 1.00 24.47 C ATOM 1134 CE2 TYR A 511 95.688 -35.217 5.466 1.00 24.54 C ATOM 1135 CZ TYR A 511 94.558 -34.540 5.868 1.00 29.05 C ATOM 1136 OH TYR A 511 93.367 -35.218 5.998 1.00 24.35 O ATOM 1137 HH TYR A 511 92.661 -34.589 6.293 1.00 0.00 H ATOM 1138 H TYR A 511 100.663 -31.590 5.577 1.00 0.00 H ATOM 1139 N LEU A 512 100.002 -34.511 7.045 1.00 14.46 N ATOM 1140 CA LEU A 512 100.142 -35.800 7.713 1.00 20.62 C ATOM 1141 C LEU A 512 100.566 -35.607 9.164 1.00 14.34 C ATOM 1142 O LEU A 512 99.979 -36.193 10.080 1.00 17.86 O ATOM 1143 CB LEU A 512 101.149 -36.674 6.968 1.00 16.74 C ATOM 1144 CG LEU A 512 100.701 -37.174 5.600 1.00 17.05 C ATOM 1145 CD1 LEU A 512 101.831 -38.017 5.000 1.00 21.27 C ATOM 1146 CD2 LEU A 512 99.391 -37.968 5.688 1.00 23.67 C ATOM 1147 H LEU A 512 100.584 -34.284 6.214 1.00 0.00 H ATOM 1148 N GLU A 513 101.589 -34.777 9.377 1.00 24.26 N ATOM 1149 CA GLU A 513 102.041 -34.393 10.708 1.00 27.09 C ATOM 1150 C GLU A 513 100.879 -33.938 11.589 1.00 23.84 C ATOM 1151 O GLU A 513 100.740 -34.377 12.732 1.00 23.58 O ATOM 1152 CB GLU A 513 103.090 -33.281 10.571 1.00 28.36 C ATOM 1153 CG GLU A 513 103.597 -32.649 11.880 1.00 28.97 C ATOM 1154 CD GLU A 513 104.622 -31.538 11.621 1.00 31.83 C ATOM 1155 OE1 GLU A 513 104.225 -30.366 11.396 1.00 29.01 O ATOM 1156 OE2 GLU A 513 105.830 -31.847 11.616 1.00 19.53 O ATOM 1157 H GLU A 513 102.088 -34.385 8.553 1.00 0.00 H ATOM 1158 N SER A 514 100.036 -33.047 11.078 1.00 28.95 N ATOM 1159 CA SER A 514 98.921 -32.577 11.891 1.00 32.39 C ATOM 1160 C SER A 514 97.966 -33.707 12.256 1.00 27.32 C ATOM 1161 O SER A 514 97.254 -33.605 13.261 1.00 24.67 O ATOM 1162 CB SER A 514 98.161 -31.470 11.162 1.00 28.53 C ATOM 1163 OG SER A 514 97.442 -32.011 10.067 1.00 26.91 O ATOM 1164 HG SER A 514 98.075 -32.440 9.438 1.00 0.00 H ATOM 1165 H SER A 514 100.170 -32.690 10.111 1.00 0.00 H ATOM 1166 N LYS A 515 97.930 -34.777 11.470 1.00 22.84 N ATOM 1167 CA LYS A 515 97.087 -35.937 11.750 1.00 20.12 C ATOM 1168 C LYS A 515 97.840 -37.018 12.513 1.00 25.08 C ATOM 1169 O LYS A 515 97.318 -38.126 12.694 1.00 25.02 O ATOM 1170 CB LYS A 515 96.537 -36.517 10.440 1.00 27.37 C ATOM 1171 CG LYS A 515 95.704 -35.545 9.622 1.00 27.45 C ATOM 1172 CD LYS A 515 94.407 -35.139 10.320 1.00 28.66 C ATOM 1173 CE LYS A 515 93.613 -34.132 9.489 1.00 39.58 C ATOM 1174 NZ LYS A 515 92.598 -33.391 10.301 1.00 46.63 N ATOM 1175 HZ1 LYS A 515 91.925 -34.068 10.713 1.00 0.00 H ATOM 1176 HZ2 LYS A 515 93.078 -32.870 11.062 1.00 0.00 H ATOM 1177 HZ3 LYS A 515 92.088 -32.722 9.690 1.00 0.00 H ATOM 1178 H LYS A 515 98.527 -34.790 10.619 1.00 0.00 H ATOM 1179 N GLN A 516 99.064 -36.718 12.938 1.00 24.25 N ATOM 1180 CA GLN A 516 99.936 -37.673 13.611 1.00 18.52 C ATOM 1181 C GLN A 516 100.102 -38.956 12.799 1.00 29.56 C ATOM 1182 O GLN A 516 100.201 -40.060 13.343 1.00 23.43 O ATOM 1183 CB GLN A 516 99.406 -37.962 15.014 1.00 29.19 C ATOM 1184 CG GLN A 516 99.291 -36.696 15.844 1.00 52.03 C ATOM 1185 CD GLN A 516 98.882 -36.963 17.275 1.00 67.67 C ATOM 1186 OE1 GLN A 516 99.727 -37.053 18.165 1.00 53.01 O ATOM 1187 NE2 GLN A 516 97.579 -37.084 17.506 1.00 89.56 N ATOM 1188 HE22 GLN A 516 96.902 -37.000 16.721 1.00 0.00 H ATOM 1189 HE21 GLN A 516 97.236 -37.262 18.472 1.00 0.00 H ATOM 1190 H GLN A 516 99.417 -35.752 12.782 1.00 0.00 H ATOM 1191 N PHE A 517 100.177 -38.806 11.481 1.00 36.23 N ATOM 1192 CA PHE A 517 100.294 -39.939 10.577 1.00 34.49 C ATOM 1193 C PHE A 517 101.665 -39.906 9.911 1.00 25.02 C ATOM 1194 O PHE A 517 102.021 -38.919 9.255 1.00 26.85 O ATOM 1195 CB PHE A 517 99.172 -39.923 9.537 1.00 29.80 C ATOM 1196 CG PHE A 517 99.029 -41.222 8.805 1.00 30.33 C ATOM 1197 CD1 PHE A 517 99.827 -41.504 7.712 1.00 25.20 C ATOM 1198 CD2 PHE A 517 98.121 -42.177 9.230 1.00 30.58 C ATOM 1199 CE1 PHE A 517 99.719 -42.709 7.051 1.00 20.82 C ATOM 1200 CE2 PHE A 517 98.003 -43.383 8.563 1.00 35.89 C ATOM 1201 CZ PHE A 517 98.807 -43.648 7.473 1.00 29.97 C ATOM 1202 H PHE A 517 100.151 -37.846 11.082 1.00 0.00 H ATOM 1203 N LEU A 518 102.428 -40.985 10.076 1.00 20.23 N ATOM 1204 CA LEU A 518 103.771 -41.076 9.513 1.00 19.79 C ATOM 1205 C LEU A 518 103.753 -41.691 8.120 1.00 17.51 C ATOM 1206 O LEU A 518 103.011 -42.636 7.845 1.00 19.43 O ATOM 1207 CB LEU A 518 104.677 -41.918 10.407 1.00 17.21 C ATOM 1208 CG LEU A 518 104.851 -41.453 11.859 1.00 21.63 C ATOM 1209 CD1 LEU A 518 105.892 -42.318 12.510 1.00 26.73 C ATOM 1210 CD2 LEU A 518 105.216 -39.976 11.931 1.00 25.01 C ATOM 1211 H LEU A 518 102.055 -41.787 10.623 1.00 0.00 H ATOM 1212 N HIS A 519 104.587 -41.149 7.238 1.00 19.85 N ATOM 1213 CA HIS A 519 104.760 -41.762 5.929 1.00 17.30 C ATOM 1214 C HIS A 519 105.590 -43.031 6.041 1.00 18.90 C ATOM 1215 O HIS A 519 105.158 -44.111 5.609 1.00 21.38 O ATOM 1216 CB HIS A 519 105.409 -40.768 4.958 1.00 15.49 C ATOM 1217 CG HIS A 519 105.449 -41.270 3.555 1.00 17.55 C ATOM 1218 ND1 HIS A 519 105.997 -42.489 3.221 1.00 19.41 N ATOM 1219 CD2 HIS A 519 104.939 -40.760 2.409 1.00 16.72 C ATOM 1220 CE1 HIS A 519 105.867 -42.687 1.923 1.00 21.20 C ATOM 1221 NE2 HIS A 519 105.223 -41.655 1.406 1.00 21.50 N ATOM 1222 H HIS A 519 105.116 -40.288 7.483 1.00 0.00 H ATOM 1223 N ARG A 520 106.808 -42.897 6.586 1.00 16.71 N ATOM 1224 CA ARG A 520 107.767 -43.957 6.894 1.00 23.22 C ATOM 1225 C ARG A 520 108.681 -44.277 5.722 1.00 19.84 C ATOM 1226 O ARG A 520 109.722 -44.906 5.919 1.00 20.34 O ATOM 1227 CB ARG A 520 107.091 -45.252 7.353 1.00 21.45 C ATOM 1228 CG ARG A 520 106.423 -45.173 8.706 1.00 24.71 C ATOM 1229 CD ARG A 520 105.508 -46.370 8.949 1.00 61.11 C ATOM 1230 NE ARG A 520 104.684 -46.164 10.136 1.00 84.67 N ATOM 1231 CZ ARG A 520 105.045 -46.491 11.372 1.00 71.34 C ATOM 1232 NH1 ARG A 520 106.224 -47.058 11.606 1.00 44.63 N ATOM 1233 NH2 ARG A 520 104.219 -46.247 12.378 1.00 74.75 N ATOM 1234 HE ARG A 520 103.748 -45.730 10.005 1.00 0.00 H ATOM 1235 HH12 ARG A 520 106.496 -47.310 12.578 1.00 0.00 H ATOM 1236 HH11 ARG A 520 106.874 -47.250 10.817 1.00 0.00 H ATOM 1237 HH22 ARG A 520 104.493 -46.500 13.349 1.00 0.00 H ATOM 1238 HH21 ARG A 520 103.296 -45.803 12.197 1.00 0.00 H ATOM 1239 H ARG A 520 107.105 -41.927 6.816 1.00 0.00 H ATOM 1240 N ASP A 521 108.317 -43.873 4.509 1.00 16.99 N ATOM 1241 CA ASP A 521 109.182 -44.118 3.359 1.00 13.36 C ATOM 1242 C ASP A 521 109.063 -42.960 2.369 1.00 13.45 C ATOM 1243 O ASP A 521 108.840 -43.141 1.172 1.00 15.27 O ATOM 1244 CB ASP A 521 108.856 -45.474 2.735 1.00 18.51 C ATOM 1245 CG ASP A 521 109.924 -45.962 1.782 1.00 22.09 C ATOM 1246 OD1 ASP A 521 110.909 -45.235 1.518 1.00 15.99 O ATOM 1247 OD2 ASP A 521 109.764 -47.091 1.283 1.00 16.05 O ATOM 1248 H ASP A 521 107.411 -43.380 4.379 1.00 0.00 H ATOM 1249 N LEU A 522 109.232 -41.740 2.873 1.00 15.47 N ATOM 1250 CA LEU A 522 109.228 -40.573 2.011 1.00 17.25 C ATOM 1251 C LEU A 522 110.524 -40.509 1.223 1.00 15.23 C ATOM 1252 O LEU A 522 111.614 -40.672 1.778 1.00 18.95 O ATOM 1253 CB LEU A 522 109.042 -39.313 2.840 1.00 16.54 C ATOM 1254 CG LEU A 522 108.937 -38.013 2.056 1.00 12.11 C ATOM 1255 CD1 LEU A 522 107.707 -38.006 1.191 1.00 19.07 C ATOM 1256 CD2 LEU A 522 108.903 -36.781 3.009 1.00 15.96 C ATOM 1257 H LEU A 522 109.369 -41.622 3.897 1.00 0.00 H ATOM 1258 N ALA A 523 110.394 -40.280 -0.080 1.00 14.39 N ATOM 1259 CA ALA A 523 111.498 -40.285 -1.024 1.00 14.04 C ATOM 1260 C ALA A 523 110.916 -39.908 -2.382 1.00 16.17 C ATOM 1261 O ALA A 523 109.715 -40.061 -2.627 1.00 19.30 O ATOM 1262 CB ALA A 523 112.201 -41.646 -1.082 1.00 13.14 C ATOM 1263 H ALA A 523 109.441 -40.085 -0.447 1.00 0.00 H ATOM 1264 N ALA A 524 111.781 -39.435 -3.273 1.00 17.15 N ATOM 1265 CA ALA A 524 111.278 -39.025 -4.581 1.00 16.28 C ATOM 1266 C ALA A 524 110.590 -40.177 -5.313 1.00 18.89 C ATOM 1267 O ALA A 524 109.632 -39.941 -6.056 1.00 20.70 O ATOM 1268 CB ALA A 524 112.410 -38.425 -5.413 1.00 23.09 C ATOM 1269 H ALA A 524 112.793 -39.359 -3.044 1.00 0.00 H ATOM 1270 N ARG A 525 111.045 -41.423 -5.121 1.00 16.71 N ATOM 1271 CA ARG A 525 110.383 -42.566 -5.765 1.00 13.84 C ATOM 1272 C ARG A 525 108.959 -42.779 -5.261 1.00 13.96 C ATOM 1273 O ARG A 525 108.156 -43.408 -5.958 1.00 15.50 O ATOM 1274 CB ARG A 525 111.179 -43.856 -5.542 1.00 16.87 C ATOM 1275 CG ARG A 525 111.279 -44.225 -4.076 1.00 14.36 C ATOM 1276 CD ARG A 525 112.019 -45.509 -3.798 1.00 18.32 C ATOM 1277 NE ARG A 525 112.126 -45.638 -2.341 1.00 16.56 N ATOM 1278 CZ ARG A 525 113.096 -45.091 -1.623 1.00 19.05 C ATOM 1279 NH1 ARG A 525 113.090 -45.194 -0.299 1.00 17.97 N ATOM 1280 NH2 ARG A 525 114.071 -44.428 -2.221 1.00 16.15 N ATOM 1281 HE ARG A 525 111.399 -46.190 -1.843 1.00 0.00 H ATOM 1282 HH12 ARG A 525 113.854 -44.763 0.260 1.00 0.00 H ATOM 1283 HH11 ARG A 525 112.321 -45.706 0.179 1.00 0.00 H ATOM 1284 HH22 ARG A 525 114.831 -43.999 -1.656 1.00 0.00 H ATOM 1285 HH21 ARG A 525 114.078 -44.335 -3.257 1.00 0.00 H ATOM 1286 H ARG A 525 111.873 -41.582 -4.512 1.00 0.00 H ATOM 1287 N ASN A 526 108.630 -42.276 -4.071 1.00 17.50 N ATOM 1288 CA ASN A 526 107.295 -42.398 -3.494 1.00 22.48 C ATOM 1289 C ASN A 526 106.564 -41.061 -3.506 1.00 15.39 C ATOM 1290 O ASN A 526 105.751 -40.766 -2.633 1.00 17.01 O ATOM 1291 CB ASN A 526 107.382 -42.971 -2.085 1.00 18.10 C ATOM 1292 CG ASN A 526 107.791 -44.432 -2.085 1.00 18.34 C ATOM 1293 OD1 ASN A 526 107.410 -45.196 -2.982 1.00 15.17 O ATOM 1294 ND2 ASN A 526 108.567 -44.832 -1.083 1.00 20.01 N ATOM 1295 HD22 ASN A 526 108.862 -44.154 -0.352 1.00 0.00 H ATOM 1296 HD21 ASN A 526 108.879 -45.823 -1.030 1.00 0.00 H ATOM 1297 H ASN A 526 109.360 -41.772 -3.528 1.00 0.00 H ATOM 1298 N CYS A 527 106.900 -40.237 -4.477 1.00 12.45 N ATOM 1299 CA CYS A 527 106.142 -39.074 -4.876 1.00 12.75 C ATOM 1300 C CYS A 527 105.795 -39.249 -6.344 1.00 22.48 C ATOM 1301 O CYS A 527 106.571 -39.826 -7.102 1.00 13.48 O ATOM 1302 CB CYS A 527 106.955 -37.804 -4.710 1.00 15.23 C ATOM 1303 SG CYS A 527 107.251 -37.373 -3.019 1.00 18.09 S ATOM 1304 H CYS A 527 107.778 -40.439 -4.996 1.00 0.00 H ATOM 1305 N LEU A 528 104.645 -38.723 -6.741 1.00 12.21 N ATOM 1306 CA LEU A 528 104.150 -38.877 -8.092 1.00 11.44 C ATOM 1307 C LEU A 528 103.840 -37.485 -8.614 1.00 11.65 C ATOM 1308 O LEU A 528 103.700 -36.538 -7.834 1.00 11.97 O ATOM 1309 CB LEU A 528 102.901 -39.777 -8.146 1.00 22.21 C ATOM 1310 CG LEU A 528 103.015 -41.227 -7.646 1.00 22.40 C ATOM 1311 CD1 LEU A 528 101.646 -41.932 -7.694 1.00 22.26 C ATOM 1312 CD2 LEU A 528 104.011 -42.021 -8.456 1.00 39.22 C ATOM 1313 H LEU A 528 104.079 -38.181 -6.058 1.00 0.00 H ATOM 1314 N VAL A 529 103.734 -37.371 -9.943 1.00 15.33 N ATOM 1315 CA VAL A 529 103.610 -36.087 -10.622 1.00 18.93 C ATOM 1316 C VAL A 529 102.443 -36.174 -11.594 1.00 22.41 C ATOM 1317 O VAL A 529 102.364 -37.122 -12.385 1.00 14.28 O ATOM 1318 CB VAL A 529 104.918 -35.717 -11.356 1.00 14.13 C ATOM 1319 CG1 VAL A 529 104.843 -34.316 -11.887 1.00 14.39 C ATOM 1320 CG2 VAL A 529 106.105 -35.862 -10.410 1.00 17.95 C ATOM 1321 H VAL A 529 103.740 -38.238 -10.518 1.00 0.00 H ATOM 1322 N ASN A 530 101.531 -35.197 -11.532 1.00 17.60 N ATOM 1323 CA ASN A 530 100.365 -35.257 -12.394 1.00 17.57 C ATOM 1324 C ASN A 530 100.639 -34.495 -13.684 1.00 21.96 C ATOM 1325 O ASN A 530 101.750 -34.027 -13.936 1.00 15.42 O ATOM 1326 CB ASN A 530 99.106 -34.754 -11.687 1.00 19.27 C ATOM 1327 CG ASN A 530 99.101 -33.259 -11.433 1.00 17.06 C ATOM 1328 OD1 ASN A 530 99.915 -32.498 -11.961 1.00 18.50 O ATOM 1329 ND2 ASN A 530 98.158 -32.828 -10.596 1.00 14.21 N ATOM 1330 HD22 ASN A 530 97.491 -33.504 -10.172 1.00 0.00 H ATOM 1331 HD21 ASN A 530 98.089 -31.816 -10.367 1.00 0.00 H ATOM 1332 H ASN A 530 101.656 -34.403 -10.873 1.00 0.00 H ATOM 1333 N ASP A 531 99.615 -34.399 -14.531 1.00 22.42 N ATOM 1334 CA ASP A 531 99.807 -33.861 -15.870 1.00 19.86 C ATOM 1335 C ASP A 531 100.139 -32.377 -15.875 1.00 19.92 C ATOM 1336 O ASP A 531 100.523 -31.853 -16.927 1.00 24.55 O ATOM 1337 CB ASP A 531 98.558 -34.124 -16.723 1.00 22.33 C ATOM 1338 CG ASP A 531 97.330 -33.378 -16.222 1.00 23.24 C ATOM 1339 OD1 ASP A 531 97.299 -32.962 -15.042 1.00 30.44 O ATOM 1340 OD2 ASP A 531 96.380 -33.233 -17.014 1.00 34.74 O ATOM 1341 H ASP A 531 98.669 -34.712 -14.233 1.00 0.00 H ATOM 1342 N GLN A 532 100.027 -31.688 -14.741 1.00 19.84 N ATOM 1343 CA GLN A 532 100.408 -30.282 -14.673 1.00 20.93 C ATOM 1344 C GLN A 532 101.683 -30.059 -13.869 1.00 19.32 C ATOM 1345 O GLN A 532 102.029 -28.913 -13.573 1.00 23.63 O ATOM 1346 CB GLN A 532 99.254 -29.457 -14.105 1.00 21.50 C ATOM 1347 CG GLN A 532 98.043 -29.433 -15.034 1.00 18.40 C ATOM 1348 CD GLN A 532 96.951 -28.523 -14.537 1.00 21.38 C ATOM 1349 OE1 GLN A 532 96.362 -28.764 -13.489 1.00 29.48 O ATOM 1350 NE2 GLN A 532 96.669 -27.470 -15.286 1.00 25.66 N ATOM 1351 HE22 GLN A 532 97.194 -27.304 -16.168 1.00 0.00 H ATOM 1352 HE21 GLN A 532 95.922 -26.808 -14.993 1.00 0.00 H ATOM 1353 H GLN A 532 99.662 -32.161 -13.890 1.00 0.00 H ATOM 1354 N GLY A 533 102.410 -31.117 -13.547 1.00 19.25 N ATOM 1355 CA GLY A 533 103.659 -30.974 -12.841 1.00 19.15 C ATOM 1356 C GLY A 533 103.519 -30.760 -11.354 1.00 16.18 C ATOM 1357 O GLY A 533 104.497 -30.376 -10.703 1.00 17.53 O ATOM 1358 H GLY A 533 102.075 -32.067 -13.807 1.00 0.00 H ATOM 1359 N VAL A 534 102.344 -31.000 -10.796 1.00 16.27 N ATOM 1360 CA VAL A 534 102.161 -30.915 -9.355 1.00 17.45 C ATOM 1361 C VAL A 534 102.654 -32.211 -8.736 1.00 22.69 C ATOM 1362 O VAL A 534 102.322 -33.300 -9.215 1.00 16.54 O ATOM 1363 CB VAL A 534 100.689 -30.661 -9.006 1.00 13.49 C ATOM 1364 CG1 VAL A 534 100.495 -30.636 -7.523 1.00 19.02 C ATOM 1365 CG2 VAL A 534 100.252 -29.344 -9.602 1.00 17.95 C ATOM 1366 H VAL A 534 101.536 -31.254 -11.399 1.00 0.00 H ATOM 1367 N VAL A 535 103.454 -32.097 -7.679 1.00 17.77 N ATOM 1368 CA VAL A 535 104.020 -33.256 -7.000 1.00 16.20 C ATOM 1369 C VAL A 535 103.106 -33.626 -5.844 1.00 18.33 C ATOM 1370 O VAL A 535 102.624 -32.755 -5.113 1.00 16.23 O ATOM 1371 CB VAL A 535 105.457 -32.965 -6.516 1.00 19.40 C ATOM 1372 CG1 VAL A 535 106.034 -34.175 -5.813 1.00 15.27 C ATOM 1373 CG2 VAL A 535 106.361 -32.558 -7.694 1.00 18.68 C ATOM 1374 H VAL A 535 103.684 -31.147 -7.324 1.00 0.00 H ATOM 1375 N LYS A 536 102.877 -34.925 -5.666 1.00 12.39 N ATOM 1376 CA LYS A 536 102.064 -35.423 -4.572 1.00 11.91 C ATOM 1377 C LYS A 536 102.749 -36.610 -3.903 1.00 23.30 C ATOM 1378 O LYS A 536 103.461 -37.384 -4.548 1.00 17.50 O ATOM 1379 CB LYS A 536 100.678 -35.823 -5.059 1.00 12.04 C ATOM 1380 CG LYS A 536 99.921 -34.664 -5.693 1.00 15.10 C ATOM 1381 CD LYS A 536 98.435 -34.947 -5.786 1.00 20.00 C ATOM 1382 CE LYS A 536 97.725 -33.874 -6.611 1.00 32.48 C ATOM 1383 NZ LYS A 536 96.252 -34.026 -6.604 1.00 26.76 N ATOM 1384 HZ1 LYS A 536 95.998 -34.953 -7.002 1.00 0.00 H ATOM 1385 HZ2 LYS A 536 95.902 -33.959 -5.627 1.00 0.00 H ATOM 1386 HZ3 LYS A 536 95.824 -33.272 -7.179 1.00 0.00 H ATOM 1387 H LYS A 536 103.294 -35.605 -6.333 1.00 0.00 H ATOM 1388 N VAL A 537 102.505 -36.758 -2.600 1.00 19.09 N ATOM 1389 CA VAL A 537 103.131 -37.804 -1.802 1.00 23.47 C ATOM 1390 C VAL A 537 102.264 -39.053 -1.853 1.00 14.88 C ATOM 1391 O VAL A 537 101.044 -38.986 -1.669 1.00 22.97 O ATOM 1392 CB VAL A 537 103.356 -37.330 -0.358 1.00 24.75 C ATOM 1393 CG1 VAL A 537 103.820 -38.472 0.516 1.00 26.44 C ATOM 1394 CG2 VAL A 537 104.398 -36.234 -0.350 1.00 16.13 C ATOM 1395 H VAL A 537 101.844 -36.103 -2.137 1.00 0.00 H ATOM 1396 N SER A 538 102.898 -40.199 -2.110 1.00 19.22 N ATOM 1397 CA SER A 538 102.198 -41.449 -2.373 1.00 22.35 C ATOM 1398 C SER A 538 102.556 -42.523 -1.357 1.00 19.88 C ATOM 1399 O SER A 538 103.668 -42.546 -0.817 1.00 14.91 O ATOM 1400 CB SER A 538 102.547 -41.976 -3.776 1.00 19.95 C ATOM 1401 OG SER A 538 101.737 -43.078 -4.122 1.00 35.14 O ATOM 1402 HG SER A 538 101.876 -43.807 -3.466 1.00 0.00 H ATOM 1403 H SER A 538 103.938 -40.200 -2.123 1.00 0.00 H ATOM 1404 N ASP A 539 101.610 -43.447 -1.144 1.00 17.71 N ATOM 1405 CA ASP A 539 101.869 -44.697 -0.424 1.00 15.15 C ATOM 1406 C ASP A 539 102.338 -44.452 1.011 1.00 20.29 C ATOM 1407 O ASP A 539 103.074 -45.248 1.608 1.00 20.95 O ATOM 1408 CB ASP A 539 102.865 -45.541 -1.202 1.00 17.81 C ATOM 1409 CG ASP A 539 102.295 -45.994 -2.540 1.00 26.29 C ATOM 1410 OD1 ASP A 539 101.180 -46.567 -2.543 1.00 27.33 O ATOM 1411 OD2 ASP A 539 102.933 -45.756 -3.578 1.00 24.14 O ATOM 1412 H ASP A 539 100.651 -43.270 -1.505 1.00 0.00 H ATOM 1413 N PHE A 540 101.905 -43.333 1.559 1.00 14.58 N ATOM 1414 CA PHE A 540 102.154 -43.016 2.956 1.00 15.15 C ATOM 1415 C PHE A 540 101.611 -44.116 3.861 1.00 24.29 C ATOM 1416 O PHE A 540 100.466 -44.561 3.708 1.00 21.91 O ATOM 1417 CB PHE A 540 101.506 -41.667 3.297 1.00 22.59 C ATOM 1418 CG PHE A 540 100.183 -41.431 2.596 1.00 28.83 C ATOM 1419 CD1 PHE A 540 100.144 -40.940 1.294 1.00 21.53 C ATOM 1420 CD2 PHE A 540 98.985 -41.701 3.236 1.00 30.13 C ATOM 1421 CE1 PHE A 540 98.953 -40.741 0.648 1.00 19.80 C ATOM 1422 CE2 PHE A 540 97.786 -41.494 2.597 1.00 24.98 C ATOM 1423 CZ PHE A 540 97.769 -41.008 1.294 1.00 19.48 C ATOM 1424 H PHE A 540 101.370 -42.658 0.975 1.00 0.00 H ATOM 1425 N GLY A 541 102.446 -44.566 4.796 1.00 24.98 N ATOM 1426 CA GLY A 541 102.021 -45.481 5.839 1.00 36.40 C ATOM 1427 C GLY A 541 101.951 -46.944 5.453 1.00 30.85 C ATOM 1428 O GLY A 541 101.815 -47.796 6.345 1.00 22.33 O ATOM 1429 H GLY A 541 103.437 -44.251 4.778 1.00 0.00 H ATOM 1430 N LEU A 542 102.027 -47.277 4.164 1.00 17.26 N ATOM 1431 CA LEU A 542 101.919 -48.674 3.757 1.00 21.43 C ATOM 1432 C LEU A 542 103.167 -49.491 4.064 1.00 18.89 C ATOM 1433 O LEU A 542 103.088 -50.724 4.088 1.00 19.68 O ATOM 1434 CB LEU A 542 101.616 -48.773 2.261 1.00 17.43 C ATOM 1435 CG LEU A 542 100.270 -48.177 1.859 1.00 22.00 C ATOM 1436 CD1 LEU A 542 100.111 -48.182 0.346 1.00 28.62 C ATOM 1437 CD2 LEU A 542 99.131 -48.939 2.513 1.00 25.77 C ATOM 1438 H LEU A 542 102.164 -46.538 3.446 1.00 0.00 H ATOM 1439 N SER A 543 104.319 -48.855 4.283 1.00 23.38 N ATOM 1440 CA SER A 543 105.494 -49.652 4.603 1.00 42.54 C ATOM 1441 C SER A 543 105.249 -50.493 5.849 1.00 35.72 C ATOM 1442 O SER A 543 105.829 -51.573 5.992 1.00 27.35 O ATOM 1443 CB SER A 543 106.712 -48.754 4.782 1.00 41.20 C ATOM 1444 OG SER A 543 106.677 -48.106 6.028 1.00 32.06 O ATOM 1445 HG SER A 543 107.476 -47.530 6.121 1.00 0.00 H ATOM 1446 H SER A 543 104.376 -47.818 4.227 1.00 0.00 H ATOM 1447 N ARG A 544 104.355 -50.038 6.731 1.00 29.03 N ATOM 1448 CA ARG A 544 104.082 -50.756 7.969 1.00 37.82 C ATOM 1449 C ARG A 544 103.504 -52.142 7.724 1.00 35.30 C ATOM 1450 O ARG A 544 103.548 -52.977 8.633 1.00 31.49 O ATOM 1451 CB ARG A 544 103.123 -49.945 8.845 1.00 30.46 C ATOM 1452 H ARG A 544 103.844 -49.155 6.530 1.00 0.00 H ATOM 1453 N TYR A 545 102.967 -52.411 6.529 1.00 31.69 N ATOM 1454 CA TYR A 545 102.304 -53.680 6.235 1.00 31.79 C ATOM 1455 C TYR A 545 103.106 -54.560 5.281 1.00 23.25 C ATOM 1456 O TYR A 545 102.588 -55.573 4.800 1.00 24.54 O ATOM 1457 CB TYR A 545 100.906 -53.424 5.660 1.00 31.71 C ATOM 1458 CG TYR A 545 100.136 -52.384 6.440 1.00 34.05 C ATOM 1459 CD1 TYR A 545 99.718 -52.634 7.738 1.00 37.03 C ATOM 1460 CD2 TYR A 545 99.850 -51.150 5.888 1.00 33.31 C ATOM 1461 CE1 TYR A 545 99.031 -51.685 8.462 1.00 36.07 C ATOM 1462 CE2 TYR A 545 99.164 -50.194 6.603 1.00 31.94 C ATOM 1463 CZ TYR A 545 98.756 -50.470 7.892 1.00 39.46 C ATOM 1464 OH TYR A 545 98.073 -49.522 8.615 1.00 41.25 O ATOM 1465 HH TYR A 545 97.859 -49.883 9.512 1.00 0.00 H ATOM 1466 H TYR A 545 103.023 -51.690 5.781 1.00 0.00 H ATOM 1467 N VAL A 546 104.356 -54.205 5.003 1.00 28.98 N ATOM 1468 CA VAL A 546 105.171 -54.995 4.092 1.00 22.51 C ATOM 1469 C VAL A 546 105.604 -56.279 4.780 1.00 29.83 C ATOM 1470 O VAL A 546 106.056 -56.266 5.934 1.00 30.64 O ATOM 1471 CB VAL A 546 106.384 -54.180 3.616 1.00 31.09 C ATOM 1472 CG1 VAL A 546 107.316 -55.042 2.779 1.00 24.56 C ATOM 1473 CG2 VAL A 546 105.921 -52.980 2.811 1.00 31.68 C ATOM 1474 H VAL A 546 104.757 -53.352 5.442 1.00 0.00 H ATOM 1475 N LEU A 547 105.441 -57.396 4.075 1.00 30.07 N ATOM 1476 CA LEU A 547 106.004 -58.688 4.456 1.00 35.50 C ATOM 1477 C LEU A 547 107.112 -58.992 3.452 1.00 31.77 C ATOM 1478 O LEU A 547 106.876 -59.559 2.384 1.00 29.62 O ATOM 1479 CB LEU A 547 104.952 -59.781 4.462 1.00 46.94 C ATOM 1480 CG LEU A 547 103.855 -59.657 5.508 1.00 42.20 C ATOM 1481 CD1 LEU A 547 102.823 -60.760 5.297 1.00 55.45 C ATOM 1482 CD2 LEU A 547 104.437 -59.725 6.896 1.00 42.80 C ATOM 1483 H LEU A 547 104.879 -57.346 3.201 1.00 0.00 H ATOM 1484 N ASP A 548 108.319 -58.579 3.802 1.00 24.35 N ATOM 1485 CA ASP A 548 109.509 -58.824 3.003 1.00 32.70 C ATOM 1486 C ASP A 548 110.713 -58.458 3.853 1.00 20.83 C ATOM 1487 O ASP A 548 110.959 -57.271 4.101 1.00 24.90 O ATOM 1488 CB ASP A 548 109.478 -58.010 1.708 1.00 28.15 C ATOM 1489 CG ASP A 548 110.762 -58.132 0.909 1.00 31.28 C ATOM 1490 OD1 ASP A 548 111.694 -58.841 1.352 1.00 29.25 O ATOM 1491 OD2 ASP A 548 110.836 -57.517 -0.169 1.00 24.94 O ATOM 1492 H ASP A 548 108.422 -58.053 4.693 1.00 0.00 H ATOM 1493 N ASP A 549 111.468 -59.466 4.299 1.00 32.98 N ATOM 1494 CA ASP A 549 112.562 -59.219 5.236 1.00 34.21 C ATOM 1495 C ASP A 549 113.618 -58.296 4.640 1.00 23.56 C ATOM 1496 O ASP A 549 114.313 -57.589 5.381 1.00 21.73 O ATOM 1497 CB ASP A 549 113.188 -60.548 5.671 1.00 38.44 C ATOM 1498 CG ASP A 549 112.303 -61.323 6.646 1.00 51.17 C ATOM 1499 OD1 ASP A 549 111.216 -60.822 7.007 1.00 43.20 O ATOM 1500 OD2 ASP A 549 112.698 -62.434 7.057 1.00 43.92 O ATOM 1501 H ASP A 549 111.275 -60.436 3.976 1.00 0.00 H ATOM 1502 N GLU A 550 113.745 -58.268 3.312 1.00 27.81 N ATOM 1503 CA GLU A 550 114.702 -57.370 2.676 1.00 24.68 C ATOM 1504 C GLU A 550 114.270 -55.914 2.767 1.00 25.86 C ATOM 1505 O GLU A 550 115.117 -55.025 2.657 1.00 25.42 O ATOM 1506 CB GLU A 550 114.899 -57.769 1.216 1.00 31.36 C ATOM 1507 CG GLU A 550 115.570 -59.109 1.069 1.00 33.29 C ATOM 1508 CD GLU A 550 117.018 -59.057 1.504 1.00 33.84 C ATOM 1509 OE1 GLU A 550 117.630 -57.977 1.355 1.00 32.92 O ATOM 1510 OE2 GLU A 550 117.536 -60.082 2.003 1.00 40.21 O ATOM 1511 H GLU A 550 113.156 -58.892 2.725 1.00 0.00 H ATOM 1512 N TYR A 551 112.981 -55.653 2.978 1.00 17.88 N ATOM 1513 CA TYR A 551 112.487 -54.295 3.153 1.00 18.58 C ATOM 1514 C TYR A 551 112.351 -53.886 4.613 1.00 24.77 C ATOM 1515 O TYR A 551 112.628 -52.734 4.945 1.00 22.52 O ATOM 1516 CB TYR A 551 111.129 -54.135 2.472 1.00 16.82 C ATOM 1517 CG TYR A 551 110.564 -52.752 2.603 1.00 22.13 C ATOM 1518 CD1 TYR A 551 110.920 -51.750 1.705 1.00 15.99 C ATOM 1519 CD2 TYR A 551 109.688 -52.433 3.630 1.00 20.95 C ATOM 1520 CE1 TYR A 551 110.410 -50.482 1.816 1.00 20.04 C ATOM 1521 CE2 TYR A 551 109.178 -51.167 3.757 1.00 20.85 C ATOM 1522 CZ TYR A 551 109.539 -50.190 2.842 1.00 21.73 C ATOM 1523 OH TYR A 551 109.046 -48.916 2.945 1.00 19.06 O ATOM 1524 HH TYR A 551 109.411 -48.362 2.210 1.00 0.00 H ATOM 1525 H TYR A 551 112.307 -56.444 3.019 1.00 0.00 H ATOM 1526 N THR A 552 111.915 -54.789 5.494 1.00 23.30 N ATOM 1527 CA THR A 552 111.577 -54.399 6.862 1.00 22.63 C ATOM 1528 C THR A 552 112.774 -54.406 7.803 1.00 27.32 C ATOM 1529 O THR A 552 112.719 -53.760 8.853 1.00 29.34 O ATOM 1530 CB THR A 552 110.502 -55.323 7.437 1.00 30.91 C ATOM 1531 OG1 THR A 552 110.968 -56.677 7.422 1.00 26.02 O ATOM 1532 CG2 THR A 552 109.222 -55.223 6.628 1.00 43.78 C ATOM 1533 HG1 THR A 552 111.789 -56.748 7.970 1.00 0.00 H ATOM 1534 H THR A 552 111.814 -55.783 5.204 1.00 0.00 H ATOM 1535 N SER A 553 113.827 -55.142 7.463 1.00 31.67 N ATOM 1536 CA SER A 553 115.066 -55.158 8.225 1.00 30.11 C ATOM 1537 C SER A 553 115.961 -54.013 7.781 1.00 26.20 C ATOM 1538 O SER A 553 116.208 -53.841 6.585 1.00 19.01 O ATOM 1539 CB SER A 553 115.805 -56.479 8.022 1.00 33.85 C ATOM 1540 OG SER A 553 117.174 -56.339 8.379 1.00 36.41 O ATOM 1541 HG SER A 553 117.592 -55.644 7.812 1.00 0.00 H ATOM 1542 H SER A 553 113.762 -55.735 6.611 1.00 0.00 H ATOM 1543 N SER A 554 116.477 -53.256 8.748 1.00 25.10 N ATOM 1544 CA SER A 554 117.333 -52.119 8.434 1.00 28.25 C ATOM 1545 C SER A 554 118.641 -52.527 7.762 1.00 25.21 C ATOM 1546 O SER A 554 119.332 -51.658 7.215 1.00 22.48 O ATOM 1547 CB SER A 554 117.622 -51.324 9.709 1.00 38.66 C ATOM 1548 OG SER A 554 118.345 -52.105 10.639 1.00 31.90 O ATOM 1549 HG SER A 554 117.815 -52.907 10.877 1.00 0.00 H ATOM 1550 H SER A 554 116.266 -53.480 9.742 1.00 0.00 H ATOM 1551 N VAL A 555 119.006 -53.809 7.793 1.00 22.53 N ATOM 1552 CA VAL A 555 120.136 -54.304 7.020 1.00 25.22 C ATOM 1553 C VAL A 555 119.679 -55.026 5.759 1.00 31.92 C ATOM 1554 O VAL A 555 120.506 -55.597 5.047 1.00 28.70 O ATOM 1555 CB VAL A 555 121.043 -55.206 7.871 1.00 32.98 C ATOM 1556 CG1 VAL A 555 121.492 -54.462 9.105 1.00 42.28 C ATOM 1557 CG2 VAL A 555 120.334 -56.486 8.259 1.00 36.61 C ATOM 1558 H VAL A 555 118.469 -54.474 8.386 1.00 0.00 H ATOM 1559 N GLY A 556 118.374 -55.018 5.473 1.00 26.91 N ATOM 1560 CA GLY A 556 117.885 -55.560 4.223 1.00 30.01 C ATOM 1561 C GLY A 556 118.250 -54.686 3.037 1.00 30.00 C ATOM 1562 O GLY A 556 118.476 -53.480 3.151 1.00 26.05 O ATOM 1563 H GLY A 556 117.701 -54.617 6.157 1.00 0.00 H ATOM 1564 N SER A 557 118.317 -55.319 1.862 1.00 32.00 N ATOM 1565 CA SER A 557 118.780 -54.617 0.670 1.00 32.50 C ATOM 1566 C SER A 557 117.788 -53.568 0.187 1.00 22.68 C ATOM 1567 O SER A 557 118.189 -52.627 -0.503 1.00 29.29 O ATOM 1568 CB SER A 557 119.062 -55.619 -0.448 1.00 45.62 C ATOM 1569 OG SER A 557 117.873 -56.269 -0.873 1.00 36.79 O ATOM 1570 HG SER A 557 117.472 -56.754 -0.109 1.00 0.00 H ATOM 1571 H SER A 557 118.037 -56.319 1.797 1.00 0.00 H ATOM 1572 N LYS A 558 116.517 -53.686 0.557 1.00 20.95 N ATOM 1573 CA LYS A 558 115.480 -52.756 0.121 1.00 23.52 C ATOM 1574 C LYS A 558 115.110 -51.712 1.168 1.00 28.89 C ATOM 1575 O LYS A 558 114.265 -50.856 0.897 1.00 15.08 O ATOM 1576 CB LYS A 558 114.228 -53.535 -0.271 1.00 20.96 C ATOM 1577 CG LYS A 558 114.508 -54.606 -1.299 1.00 33.41 C ATOM 1578 CD LYS A 558 113.226 -55.230 -1.781 1.00 37.55 C ATOM 1579 CE LYS A 558 113.447 -56.643 -2.256 1.00 47.24 C ATOM 1580 NZ LYS A 558 112.144 -57.306 -2.458 1.00 40.69 N ATOM 1581 HZ1 LYS A 558 111.621 -57.320 -1.559 1.00 0.00 H ATOM 1582 HZ2 LYS A 558 111.597 -56.782 -3.171 1.00 0.00 H ATOM 1583 HZ3 LYS A 558 112.299 -58.281 -2.786 1.00 0.00 H ATOM 1584 H LYS A 558 116.250 -54.473 1.183 1.00 0.00 H ATOM 1585 N PHE A 559 115.699 -51.760 2.349 1.00 26.15 N ATOM 1586 CA PHE A 559 115.334 -50.791 3.373 1.00 24.09 C ATOM 1587 C PHE A 559 115.802 -49.400 2.948 1.00 14.46 C ATOM 1588 O PHE A 559 116.900 -49.259 2.405 1.00 22.30 O ATOM 1589 CB PHE A 559 115.960 -51.179 4.713 1.00 27.16 C ATOM 1590 CG PHE A 559 115.485 -50.356 5.879 1.00 15.38 C ATOM 1591 CD1 PHE A 559 116.068 -49.135 6.169 1.00 23.37 C ATOM 1592 CD2 PHE A 559 114.482 -50.828 6.710 1.00 20.94 C ATOM 1593 CE1 PHE A 559 115.643 -48.391 7.262 1.00 34.46 C ATOM 1594 CE2 PHE A 559 114.056 -50.094 7.807 1.00 24.96 C ATOM 1595 CZ PHE A 559 114.633 -48.872 8.080 1.00 33.70 C ATOM 1596 H PHE A 559 116.418 -52.485 2.546 1.00 0.00 H ATOM 1597 N PRO A 560 114.975 -48.349 3.155 1.00 23.51 N ATOM 1598 CA PRO A 560 115.363 -46.995 2.720 1.00 25.40 C ATOM 1599 C PRO A 560 116.434 -46.357 3.596 1.00 13.47 C ATOM 1600 O PRO A 560 116.251 -45.272 4.168 1.00 16.25 O ATOM 1601 CB PRO A 560 114.042 -46.225 2.785 1.00 23.13 C ATOM 1602 CG PRO A 560 113.243 -46.943 3.846 1.00 21.64 C ATOM 1603 CD PRO A 560 113.607 -48.388 3.694 1.00 20.71 C ATOM 1604 N VAL A 561 117.587 -47.021 3.671 1.00 16.89 N ATOM 1605 CA VAL A 561 118.695 -46.547 4.499 1.00 17.14 C ATOM 1606 C VAL A 561 119.048 -45.095 4.181 1.00 15.28 C ATOM 1607 O VAL A 561 119.274 -44.281 5.086 1.00 17.97 O ATOM 1608 CB VAL A 561 119.909 -47.479 4.312 1.00 14.69 C ATOM 1609 CG1 VAL A 561 121.156 -46.904 4.958 1.00 16.97 C ATOM 1610 CG2 VAL A 561 119.624 -48.847 4.877 1.00 20.96 C ATOM 1611 H VAL A 561 117.702 -47.899 3.126 1.00 0.00 H ATOM 1612 N ARG A 562 119.116 -44.746 2.891 1.00 18.73 N ATOM 1613 CA ARG A 562 119.610 -43.436 2.488 1.00 22.35 C ATOM 1614 C ARG A 562 118.666 -42.300 2.861 1.00 20.52 C ATOM 1615 O ARG A 562 119.065 -41.132 2.772 1.00 19.90 O ATOM 1616 CB ARG A 562 119.857 -43.414 0.973 1.00 17.62 C ATOM 1617 CG ARG A 562 121.020 -44.275 0.525 1.00 23.39 C ATOM 1618 CD ARG A 562 120.898 -44.749 -0.928 1.00 17.80 C ATOM 1619 NE ARG A 562 121.662 -45.984 -1.069 1.00 15.50 N ATOM 1620 CZ ARG A 562 122.971 -46.048 -1.256 1.00 27.63 C ATOM 1621 NH1 ARG A 562 123.572 -47.231 -1.323 1.00 25.75 N ATOM 1622 NH2 ARG A 562 123.676 -44.937 -1.395 1.00 20.88 N ATOM 1623 HE ARG A 562 121.139 -46.881 -1.019 1.00 0.00 H ATOM 1624 HH12 ARG A 562 124.600 -47.284 -1.470 1.00 0.00 H ATOM 1625 HH11 ARG A 562 123.014 -48.104 -1.229 1.00 0.00 H ATOM 1626 HH22 ARG A 562 124.704 -44.989 -1.542 1.00 0.00 H ATOM 1627 HH21 ARG A 562 123.202 -44.012 -1.357 1.00 0.00 H ATOM 1628 H ARG A 562 118.811 -45.422 2.163 1.00 0.00 H ATOM 1629 N TRP A 563 117.433 -42.613 3.258 1.00 18.03 N ATOM 1630 CA TRP A 563 116.450 -41.629 3.694 1.00 19.28 C ATOM 1631 C TRP A 563 116.178 -41.690 5.197 1.00 25.74 C ATOM 1632 O TRP A 563 115.240 -41.037 5.675 1.00 20.25 O ATOM 1633 CB TRP A 563 115.152 -41.828 2.904 1.00 13.32 C ATOM 1634 CG TRP A 563 115.304 -41.460 1.442 1.00 20.14 C ATOM 1635 CD1 TRP A 563 114.903 -40.298 0.860 1.00 13.50 C ATOM 1636 CD2 TRP A 563 115.909 -42.244 0.389 1.00 16.41 C ATOM 1637 NE1 TRP A 563 115.227 -40.292 -0.480 1.00 20.64 N ATOM 1638 CE2 TRP A 563 115.840 -41.475 -0.794 1.00 11.89 C ATOM 1639 CE3 TRP A 563 116.499 -43.509 0.335 1.00 16.42 C ATOM 1640 CZ2 TRP A 563 116.349 -41.927 -2.014 1.00 15.51 C ATOM 1641 CZ3 TRP A 563 116.995 -43.962 -0.882 1.00 18.63 C ATOM 1642 CH2 TRP A 563 116.916 -43.170 -2.041 1.00 18.86 C ATOM 1643 HE1 TRP A 563 115.037 -39.515 -1.144 1.00 0.00 H ATOM 1644 H TRP A 563 117.157 -43.616 3.257 1.00 0.00 H ATOM 1645 N SER A 564 116.993 -42.451 5.966 1.00 17.00 N ATOM 1646 CA SER A 564 116.690 -42.737 7.358 1.00 26.59 C ATOM 1647 C SER A 564 117.649 -42.013 8.304 1.00 28.55 C ATOM 1648 O SER A 564 118.858 -41.966 8.044 1.00 19.70 O ATOM 1649 CB SER A 564 116.772 -44.246 7.627 1.00 24.14 C ATOM 1650 OG SER A 564 115.836 -44.969 6.847 1.00 20.75 O ATOM 1651 HG SER A 564 116.018 -44.813 5.886 1.00 0.00 H ATOM 1652 H SER A 564 117.861 -42.842 5.548 1.00 0.00 H ATOM 1653 N PRO A 565 117.158 -41.465 9.415 1.00 21.65 N ATOM 1654 CA PRO A 565 118.055 -40.835 10.398 1.00 18.78 C ATOM 1655 C PRO A 565 118.721 -41.872 11.281 1.00 17.59 C ATOM 1656 O PRO A 565 118.343 -43.054 11.261 1.00 20.82 O ATOM 1657 CB PRO A 565 117.110 -39.949 11.219 1.00 21.50 C ATOM 1658 CG PRO A 565 115.829 -40.713 11.209 1.00 21.85 C ATOM 1659 CD PRO A 565 115.744 -41.345 9.820 1.00 19.09 C ATOM 1660 N PRO A 566 119.683 -41.455 12.111 1.00 24.31 N ATOM 1661 CA PRO A 566 120.383 -42.428 12.970 1.00 16.25 C ATOM 1662 C PRO A 566 119.469 -43.196 13.918 1.00 21.06 C ATOM 1663 O PRO A 566 119.667 -44.402 14.106 1.00 22.52 O ATOM 1664 CB PRO A 566 121.387 -41.554 13.742 1.00 24.57 C ATOM 1665 CG PRO A 566 121.544 -40.323 12.965 1.00 28.81 C ATOM 1666 CD PRO A 566 120.213 -40.091 12.272 1.00 27.58 C ATOM 1667 N GLU A 567 118.472 -42.544 14.529 1.00 21.16 N ATOM 1668 CA GLU A 567 117.642 -43.254 15.496 1.00 25.75 C ATOM 1669 C GLU A 567 116.788 -44.329 14.840 1.00 21.87 C ATOM 1670 O GLU A 567 116.350 -45.260 15.526 1.00 23.20 O ATOM 1671 CB GLU A 567 116.757 -42.279 16.279 1.00 24.81 C ATOM 1672 CG GLU A 567 115.596 -41.657 15.513 1.00 29.78 C ATOM 1673 CD GLU A 567 115.984 -40.440 14.720 1.00 25.12 C ATOM 1674 OE1 GLU A 567 117.200 -40.147 14.585 1.00 19.89 O ATOM 1675 OE2 GLU A 567 115.053 -39.769 14.234 1.00 19.65 O ATOM 1676 H GLU A 567 118.291 -41.542 14.317 1.00 0.00 H ATOM 1677 N VAL A 568 116.538 -44.228 13.535 1.00 22.63 N ATOM 1678 CA VAL A 568 115.832 -45.291 12.827 1.00 19.72 C ATOM 1679 C VAL A 568 116.785 -46.432 12.510 1.00 21.26 C ATOM 1680 O VAL A 568 116.455 -47.608 12.690 1.00 25.73 O ATOM 1681 CB VAL A 568 115.176 -44.733 11.549 1.00 17.14 C ATOM 1682 CG1 VAL A 568 114.936 -45.850 10.498 1.00 25.04 C ATOM 1683 CG2 VAL A 568 113.867 -44.042 11.891 1.00 22.89 C ATOM 1684 H VAL A 568 116.849 -43.383 13.015 1.00 0.00 H ATOM 1685 N LEU A 569 117.986 -46.097 12.040 1.00 18.18 N ATOM 1686 CA LEU A 569 118.952 -47.118 11.661 1.00 22.14 C ATOM 1687 C LEU A 569 119.482 -47.862 12.872 1.00 25.80 C ATOM 1688 O LEU A 569 119.868 -49.029 12.757 1.00 31.32 O ATOM 1689 CB LEU A 569 120.108 -46.481 10.903 1.00 19.69 C ATOM 1690 CG LEU A 569 119.761 -45.869 9.545 1.00 29.54 C ATOM 1691 CD1 LEU A 569 120.987 -45.160 9.014 1.00 22.13 C ATOM 1692 CD2 LEU A 569 119.263 -46.931 8.569 1.00 22.80 C ATOM 1693 H LEU A 569 118.237 -45.092 11.943 1.00 0.00 H ATOM 1694 N MET A 570 119.503 -47.210 14.032 1.00 24.07 N ATOM 1695 CA MET A 570 120.037 -47.820 15.240 1.00 30.79 C ATOM 1696 C MET A 570 118.958 -48.461 16.093 1.00 27.34 C ATOM 1697 O MET A 570 119.188 -49.539 16.646 1.00 31.00 O ATOM 1698 CB MET A 570 120.786 -46.781 16.072 1.00 26.47 C ATOM 1699 CG MET A 570 122.164 -46.434 15.526 1.00 37.00 C ATOM 1700 SD MET A 570 123.014 -45.250 16.576 1.00 42.22 S ATOM 1701 CE MET A 570 124.297 -44.632 15.492 1.00 61.14 C ATOM 1702 H MET A 570 119.129 -46.241 14.076 1.00 0.00 H ATOM 1703 N TYR A 571 117.790 -47.820 16.216 1.00 24.56 N ATOM 1704 CA TYR A 571 116.770 -48.247 17.172 1.00 37.45 C ATOM 1705 C TYR A 571 115.382 -48.462 16.580 1.00 24.16 C ATOM 1706 O TYR A 571 114.474 -48.858 17.320 1.00 30.07 O ATOM 1707 CB TYR A 571 116.647 -47.223 18.307 1.00 34.97 C ATOM 1708 CG TYR A 571 117.972 -46.750 18.824 1.00 21.04 C ATOM 1709 CD1 TYR A 571 118.818 -47.614 19.509 1.00 31.15 C ATOM 1710 CD2 TYR A 571 118.386 -45.439 18.627 1.00 35.24 C ATOM 1711 CE1 TYR A 571 120.038 -47.186 19.979 1.00 38.06 C ATOM 1712 CE2 TYR A 571 119.607 -45.001 19.096 1.00 46.93 C ATOM 1713 CZ TYR A 571 120.429 -45.878 19.768 1.00 42.61 C ATOM 1714 OH TYR A 571 121.647 -45.446 20.238 1.00 26.30 O ATOM 1715 HH TYR A 571 121.508 -44.704 20.879 1.00 0.00 H ATOM 1716 H TYR A 571 117.602 -46.993 15.613 1.00 0.00 H ATOM 1717 N SER A 572 115.187 -48.221 15.289 1.00 23.97 N ATOM 1718 CA SER A 572 113.866 -48.310 14.676 1.00 41.72 C ATOM 1719 C SER A 572 112.881 -47.360 15.355 1.00 37.46 C ATOM 1720 O SER A 572 111.710 -47.690 15.547 1.00 26.99 O ATOM 1721 CB SER A 572 113.345 -49.747 14.708 1.00 45.35 C ATOM 1722 OG SER A 572 114.216 -50.605 14.001 1.00 58.93 O ATOM 1723 HG SER A 572 113.864 -51.530 14.032 1.00 0.00 H ATOM 1724 H SER A 572 116.001 -47.961 14.696 1.00 0.00 H ATOM 1725 N LYS A 573 113.362 -46.173 15.736 1.00 28.03 N ATOM 1726 CA LYS A 573 112.508 -45.148 16.344 1.00 28.63 C ATOM 1727 C LYS A 573 111.987 -44.260 15.224 1.00 27.52 C ATOM 1728 O LYS A 573 112.613 -43.270 14.839 1.00 26.20 O ATOM 1729 CB LYS A 573 113.263 -44.324 17.385 1.00 20.99 C ATOM 1730 CG LYS A 573 113.652 -45.057 18.631 1.00 45.99 C ATOM 1731 CD LYS A 573 114.411 -44.135 19.565 1.00 85.63 C ATOM 1732 CE LYS A 573 114.620 -44.764 20.929 1.00111.89 C ATOM 1733 NZ LYS A 573 115.259 -43.810 21.869 1.00104.26 N ATOM 1734 HZ1 LYS A 573 116.184 -43.520 21.492 1.00 0.00 H ATOM 1735 HZ2 LYS A 573 114.651 -42.974 21.979 1.00 0.00 H ATOM 1736 HZ3 LYS A 573 115.389 -44.270 22.793 1.00 0.00 H ATOM 1737 H LYS A 573 114.373 -45.970 15.597 1.00 0.00 H ATOM 1738 N PHE A 574 110.838 -44.644 14.677 1.00 28.44 N ATOM 1739 CA PHE A 574 110.129 -43.825 13.711 1.00 25.33 C ATOM 1740 C PHE A 574 109.317 -42.773 14.430 1.00 27.54 C ATOM 1741 O PHE A 574 108.714 -43.035 15.470 1.00 29.57 O ATOM 1742 CB PHE A 574 109.203 -44.681 12.852 1.00 24.68 C ATOM 1743 CG PHE A 574 109.929 -45.543 11.887 1.00 29.97 C ATOM 1744 CD1 PHE A 574 110.425 -46.774 12.287 1.00 28.21 C ATOM 1745 CD2 PHE A 574 110.143 -45.118 10.589 1.00 23.33 C ATOM 1746 CE1 PHE A 574 111.110 -47.579 11.392 1.00 23.19 C ATOM 1747 CE2 PHE A 574 110.821 -45.912 9.693 1.00 35.83 C ATOM 1748 CZ PHE A 574 111.309 -47.142 10.095 1.00 29.89 C ATOM 1749 H PHE A 574 110.433 -45.562 14.950 1.00 0.00 H ATOM 1750 N SER A 575 109.318 -41.573 13.875 1.00 23.61 N ATOM 1751 CA SER A 575 108.566 -40.473 14.450 1.00 22.75 C ATOM 1752 C SER A 575 108.362 -39.461 13.344 1.00 32.21 C ATOM 1753 O SER A 575 108.867 -39.623 12.227 1.00 23.99 O ATOM 1754 CB SER A 575 109.292 -39.846 15.643 1.00 35.31 C ATOM 1755 OG SER A 575 110.402 -39.072 15.211 1.00 29.38 O ATOM 1756 HG SER A 575 111.037 -39.652 14.721 1.00 0.00 H ATOM 1757 H SER A 575 109.870 -41.414 13.008 1.00 0.00 H ATOM 1758 N SER A 576 107.599 -38.419 13.663 1.00 27.32 N ATOM 1759 CA SER A 576 107.513 -37.280 12.760 1.00 35.84 C ATOM 1760 C SER A 576 108.900 -36.811 12.366 1.00 26.19 C ATOM 1761 O SER A 576 109.119 -36.360 11.237 1.00 20.17 O ATOM 1762 CB SER A 576 106.761 -36.140 13.430 1.00 50.82 C ATOM 1763 OG SER A 576 107.556 -35.611 14.472 1.00 43.21 O ATOM 1764 HG SER A 576 107.071 -34.868 14.911 1.00 0.00 H ATOM 1765 H SER A 576 107.065 -38.418 14.555 1.00 0.00 H ATOM 1766 N LYS A 577 109.853 -36.895 13.296 1.00 23.22 N ATOM 1767 CA LYS A 577 111.186 -36.400 12.998 1.00 21.48 C ATOM 1768 C LYS A 577 111.940 -37.318 12.053 1.00 26.41 C ATOM 1769 O LYS A 577 112.928 -36.875 11.458 1.00 15.07 O ATOM 1770 CB LYS A 577 111.980 -36.194 14.292 1.00 18.88 C ATOM 1771 CG LYS A 577 111.353 -35.219 15.247 1.00 26.50 C ATOM 1772 CD LYS A 577 110.968 -33.919 14.552 1.00 26.46 C ATOM 1773 CE LYS A 577 110.896 -32.767 15.561 1.00 23.86 C ATOM 1774 NZ LYS A 577 110.253 -31.576 14.971 1.00 25.12 N ATOM 1775 HZ1 LYS A 577 110.802 -31.260 14.146 1.00 0.00 H ATOM 1776 HZ2 LYS A 577 109.286 -31.817 14.674 1.00 0.00 H ATOM 1777 HZ3 LYS A 577 110.220 -30.815 15.679 1.00 0.00 H ATOM 1778 H LYS A 577 109.644 -37.311 14.226 1.00 0.00 H ATOM 1779 N SER A 578 111.506 -38.577 11.875 1.00 18.03 N ATOM 1780 CA SER A 578 112.187 -39.379 10.869 1.00 27.80 C ATOM 1781 C SER A 578 111.610 -39.109 9.490 1.00 19.52 C ATOM 1782 O SER A 578 112.338 -39.203 8.498 1.00 22.25 O ATOM 1783 CB SER A 578 112.167 -40.883 11.211 1.00 33.47 C ATOM 1784 OG SER A 578 110.885 -41.404 11.482 1.00 18.18 O ATOM 1785 HG SER A 578 110.306 -41.281 10.689 1.00 0.00 H ATOM 1786 H SER A 578 110.717 -38.962 12.432 1.00 0.00 H ATOM 1787 N ASP A 579 110.336 -38.713 9.404 1.00 19.42 N ATOM 1788 CA ASP A 579 109.834 -38.186 8.138 1.00 15.77 C ATOM 1789 C ASP A 579 110.530 -36.871 7.788 1.00 19.49 C ATOM 1790 O ASP A 579 110.795 -36.596 6.607 1.00 16.38 O ATOM 1791 CB ASP A 579 108.319 -37.973 8.195 1.00 23.16 C ATOM 1792 CG ASP A 579 107.513 -39.251 8.043 1.00 20.97 C ATOM 1793 OD1 ASP A 579 108.068 -40.337 7.721 1.00 18.63 O ATOM 1794 OD2 ASP A 579 106.278 -39.144 8.223 1.00 21.34 O ATOM 1795 H ASP A 579 109.709 -38.780 10.231 1.00 0.00 H ATOM 1796 N ILE A 580 110.828 -36.044 8.801 1.00 16.72 N ATOM 1797 CA ILE A 580 111.510 -34.774 8.559 1.00 18.66 C ATOM 1798 C ILE A 580 112.848 -35.029 7.876 1.00 19.83 C ATOM 1799 O ILE A 580 113.147 -34.458 6.820 1.00 15.65 O ATOM 1800 CB ILE A 580 111.695 -33.991 9.878 1.00 21.37 C ATOM 1801 CG1 ILE A 580 110.349 -33.484 10.449 1.00 24.34 C ATOM 1802 CG2 ILE A 580 112.703 -32.849 9.694 1.00 17.08 C ATOM 1803 CD1 ILE A 580 109.695 -32.329 9.702 1.00 16.47 C ATOM 1804 H ILE A 580 110.570 -36.310 9.773 1.00 0.00 H ATOM 1805 N TRP A 581 113.675 -35.895 8.477 1.00 13.75 N ATOM 1806 CA TRP A 581 114.952 -36.285 7.881 1.00 18.31 C ATOM 1807 C TRP A 581 114.791 -36.712 6.424 1.00 17.67 C ATOM 1808 O TRP A 581 115.520 -36.244 5.538 1.00 14.62 O ATOM 1809 CB TRP A 581 115.570 -37.425 8.692 1.00 24.21 C ATOM 1810 CG TRP A 581 116.906 -37.860 8.173 1.00 25.42 C ATOM 1811 CD1 TRP A 581 117.156 -38.523 7.010 1.00 22.13 C ATOM 1812 CD2 TRP A 581 118.183 -37.648 8.798 1.00 20.84 C ATOM 1813 NE1 TRP A 581 118.501 -38.742 6.874 1.00 18.28 N ATOM 1814 CE2 TRP A 581 119.155 -38.213 7.953 1.00 23.42 C ATOM 1815 CE3 TRP A 581 118.593 -37.041 9.990 1.00 20.36 C ATOM 1816 CZ2 TRP A 581 120.510 -38.185 8.251 1.00 17.34 C ATOM 1817 CZ3 TRP A 581 119.941 -37.022 10.294 1.00 16.56 C ATOM 1818 CH2 TRP A 581 120.886 -37.592 9.432 1.00 18.29 C ATOM 1819 HE1 TRP A 581 118.954 -39.233 6.077 1.00 0.00 H ATOM 1820 H TRP A 581 113.401 -36.302 9.394 1.00 0.00 H ATOM 1821 N ALA A 582 113.878 -37.652 6.171 1.00 15.17 N ATOM 1822 CA ALA A 582 113.623 -38.105 4.804 1.00 14.82 C ATOM 1823 C ALA A 582 113.236 -36.950 3.884 1.00 19.20 C ATOM 1824 O ALA A 582 113.611 -36.935 2.706 1.00 15.65 O ATOM 1825 CB ALA A 582 112.527 -39.171 4.802 1.00 13.26 C ATOM 1826 H ALA A 582 113.340 -38.069 6.958 1.00 0.00 H ATOM 1827 N PHE A 583 112.466 -35.986 4.386 1.00 18.93 N ATOM 1828 CA PHE A 583 112.088 -34.859 3.540 1.00 22.19 C ATOM 1829 C PHE A 583 113.309 -34.057 3.116 1.00 14.68 C ATOM 1830 O PHE A 583 113.392 -33.602 1.964 1.00 16.14 O ATOM 1831 CB PHE A 583 111.086 -33.956 4.254 1.00 20.40 C ATOM 1832 CG PHE A 583 110.773 -32.690 3.503 1.00 20.48 C ATOM 1833 CD1 PHE A 583 109.939 -32.720 2.390 1.00 22.61 C ATOM 1834 CD2 PHE A 583 111.302 -31.471 3.907 1.00 16.57 C ATOM 1835 CE1 PHE A 583 109.636 -31.550 1.689 1.00 19.53 C ATOM 1836 CE2 PHE A 583 111.009 -30.296 3.208 1.00 22.56 C ATOM 1837 CZ PHE A 583 110.174 -30.341 2.101 1.00 20.06 C ATOM 1838 H PHE A 583 112.137 -36.036 5.371 1.00 0.00 H ATOM 1839 N GLY A 584 114.263 -33.859 4.029 1.00 15.67 N ATOM 1840 CA GLY A 584 115.484 -33.160 3.653 1.00 20.06 C ATOM 1841 C GLY A 584 116.224 -33.862 2.529 1.00 17.42 C ATOM 1842 O GLY A 584 116.705 -33.226 1.586 1.00 16.31 O ATOM 1843 H GLY A 584 114.135 -34.202 5.002 1.00 0.00 H ATOM 1844 N VAL A 585 116.309 -35.187 2.607 1.00 13.63 N ATOM 1845 CA VAL A 585 116.945 -35.964 1.548 1.00 12.26 C ATOM 1846 C VAL A 585 116.158 -35.828 0.252 1.00 24.97 C ATOM 1847 O VAL A 585 116.733 -35.736 -0.838 1.00 20.00 O ATOM 1848 CB VAL A 585 117.054 -37.435 1.977 1.00 13.38 C ATOM 1849 CG1 VAL A 585 117.729 -38.263 0.893 1.00 18.95 C ATOM 1850 CG2 VAL A 585 117.801 -37.553 3.286 1.00 17.33 C ATOM 1851 H VAL A 585 115.916 -35.677 3.436 1.00 0.00 H ATOM 1852 N LEU A 586 114.827 -35.825 0.349 1.00 16.73 N ATOM 1853 CA LEU A 586 113.990 -35.604 -0.831 1.00 19.44 C ATOM 1854 C LEU A 586 114.254 -34.234 -1.447 1.00 16.41 C ATOM 1855 O LEU A 586 114.343 -34.112 -2.672 1.00 14.52 O ATOM 1856 CB LEU A 586 112.514 -35.751 -0.460 1.00 21.87 C ATOM 1857 CG LEU A 586 111.470 -35.455 -1.556 1.00 24.02 C ATOM 1858 CD1 LEU A 586 110.269 -36.330 -1.388 1.00 35.60 C ATOM 1859 CD2 LEU A 586 111.029 -34.015 -1.515 1.00 47.26 C ATOM 1860 H LEU A 586 114.379 -35.982 1.274 1.00 0.00 H ATOM 1861 N MET A 587 114.379 -33.185 -0.622 1.00 15.02 N ATOM 1862 CA MET A 587 114.769 -31.884 -1.160 1.00 12.10 C ATOM 1863 C MET A 587 116.078 -32.011 -1.916 1.00 20.41 C ATOM 1864 O MET A 587 116.266 -31.382 -2.964 1.00 17.88 O ATOM 1865 CB MET A 587 114.922 -30.836 -0.054 1.00 16.75 C ATOM 1866 CG MET A 587 113.634 -30.384 0.595 1.00 16.23 C ATOM 1867 SD MET A 587 113.858 -28.989 1.721 1.00 19.20 S ATOM 1868 CE MET A 587 114.345 -27.703 0.569 1.00 27.81 C ATOM 1869 H MET A 587 114.199 -33.297 0.396 1.00 0.00 H ATOM 1870 N TRP A 588 117.002 -32.822 -1.394 1.00 16.67 N ATOM 1871 CA TRP A 588 118.287 -33.008 -2.062 1.00 15.08 C ATOM 1872 C TRP A 588 118.104 -33.728 -3.387 1.00 20.07 C ATOM 1873 O TRP A 588 118.769 -33.396 -4.375 1.00 18.33 O ATOM 1874 CB TRP A 588 119.250 -33.786 -1.154 1.00 17.88 C ATOM 1875 CG TRP A 588 120.639 -33.925 -1.729 1.00 21.87 C ATOM 1876 CD1 TRP A 588 121.710 -33.107 -1.499 1.00 18.66 C ATOM 1877 CD2 TRP A 588 121.100 -34.945 -2.623 1.00 16.62 C ATOM 1878 NE1 TRP A 588 122.808 -33.554 -2.205 1.00 21.97 N ATOM 1879 CE2 TRP A 588 122.458 -34.678 -2.903 1.00 13.01 C ATOM 1880 CE3 TRP A 588 120.494 -36.056 -3.220 1.00 16.54 C ATOM 1881 CZ2 TRP A 588 123.215 -35.484 -3.752 1.00 15.78 C ATOM 1882 CZ3 TRP A 588 121.244 -36.849 -4.053 1.00 26.37 C ATOM 1883 CH2 TRP A 588 122.593 -36.564 -4.313 1.00 26.74 C ATOM 1884 HE1 TRP A 588 123.748 -33.109 -2.206 1.00 0.00 H ATOM 1885 H TRP A 588 116.805 -33.325 -0.505 1.00 0.00 H ATOM 1886 N GLU A 589 117.216 -34.729 -3.422 1.00 20.19 N ATOM 1887 CA GLU A 589 116.885 -35.396 -4.680 1.00 17.85 C ATOM 1888 C GLU A 589 116.361 -34.398 -5.708 1.00 14.95 C ATOM 1889 O GLU A 589 116.763 -34.417 -6.878 1.00 17.79 O ATOM 1890 CB GLU A 589 115.848 -36.494 -4.440 1.00 11.64 C ATOM 1891 CG GLU A 589 116.330 -37.698 -3.643 1.00 19.32 C ATOM 1892 CD GLU A 589 115.264 -38.787 -3.529 1.00 20.50 C ATOM 1893 OE1 GLU A 589 115.295 -39.757 -4.318 1.00 19.94 O ATOM 1894 OE2 GLU A 589 114.373 -38.659 -2.656 1.00 20.32 O ATOM 1895 H GLU A 589 116.755 -35.037 -2.542 1.00 0.00 H ATOM 1896 N ILE A 590 115.456 -33.517 -5.283 1.00 12.67 N ATOM 1897 CA ILE A 590 114.865 -32.544 -6.200 1.00 16.77 C ATOM 1898 C ILE A 590 115.933 -31.591 -6.722 1.00 18.88 C ATOM 1899 O ILE A 590 116.056 -31.362 -7.934 1.00 20.57 O ATOM 1900 CB ILE A 590 113.717 -31.791 -5.497 1.00 17.50 C ATOM 1901 CG1 ILE A 590 112.537 -32.738 -5.322 1.00 17.68 C ATOM 1902 CG2 ILE A 590 113.300 -30.535 -6.280 1.00 17.59 C ATOM 1903 CD1 ILE A 590 111.513 -32.283 -4.293 1.00 16.73 C ATOM 1904 H ILE A 590 115.166 -33.522 -4.284 1.00 0.00 H ATOM 1905 N TYR A 591 116.742 -31.036 -5.822 1.00 16.99 N ATOM 1906 CA TYR A 591 117.697 -30.020 -6.248 1.00 24.90 C ATOM 1907 C TYR A 591 118.894 -30.610 -6.991 1.00 16.08 C ATOM 1908 O TYR A 591 119.497 -29.903 -7.807 1.00 17.63 O ATOM 1909 CB TYR A 591 118.128 -29.178 -5.034 1.00 18.04 C ATOM 1910 CG TYR A 591 117.187 -28.013 -4.836 1.00 26.44 C ATOM 1911 CD1 TYR A 591 116.087 -28.113 -4.004 1.00 23.74 C ATOM 1912 CD2 TYR A 591 117.365 -26.838 -5.538 1.00 19.52 C ATOM 1913 CE1 TYR A 591 115.207 -27.053 -3.853 1.00 17.46 C ATOM 1914 CE2 TYR A 591 116.497 -25.773 -5.394 1.00 18.21 C ATOM 1915 CZ TYR A 591 115.418 -25.885 -4.552 1.00 23.46 C ATOM 1916 OH TYR A 591 114.554 -24.820 -4.406 1.00 18.89 O ATOM 1917 HH TYR A 591 115.052 -24.037 -4.060 1.00 0.00 H ATOM 1918 H TYR A 591 116.693 -31.325 -4.824 1.00 0.00 H ATOM 1919 N SER A 592 119.217 -31.890 -6.775 1.00 17.20 N ATOM 1920 CA SER A 592 120.211 -32.584 -7.592 1.00 21.67 C ATOM 1921 C SER A 592 119.637 -33.152 -8.888 1.00 17.24 C ATOM 1922 O SER A 592 120.366 -33.817 -9.638 1.00 18.13 O ATOM 1923 CB SER A 592 120.842 -33.730 -6.814 1.00 20.11 C ATOM 1924 OG SER A 592 119.908 -34.765 -6.601 1.00 18.14 O ATOM 1925 HG SER A 592 119.140 -34.413 -6.085 1.00 0.00 H ATOM 1926 H SER A 592 118.748 -32.406 -6.004 1.00 0.00 H ATOM 1927 N LEU A 593 118.362 -32.930 -9.157 1.00 20.84 N ATOM 1928 CA LEU A 593 117.731 -33.390 -10.389 1.00 22.35 C ATOM 1929 C LEU A 593 117.769 -34.910 -10.503 1.00 28.04 C ATOM 1930 O LEU A 593 118.008 -35.468 -11.579 1.00 18.17 O ATOM 1931 CB LEU A 593 118.372 -32.723 -11.614 1.00 19.49 C ATOM 1932 CG LEU A 593 118.356 -31.200 -11.552 1.00 20.64 C ATOM 1933 CD1 LEU A 593 119.041 -30.601 -12.771 1.00 24.78 C ATOM 1934 CD2 LEU A 593 116.920 -30.674 -11.435 1.00 37.40 C ATOM 1935 H LEU A 593 117.788 -32.408 -8.465 1.00 0.00 H ATOM 1936 N GLY A 594 117.495 -35.588 -9.389 1.00 15.29 N ATOM 1937 CA GLY A 594 117.313 -37.024 -9.406 1.00 19.08 C ATOM 1938 C GLY A 594 118.564 -37.855 -9.229 1.00 15.64 C ATOM 1939 O GLY A 594 118.550 -39.037 -9.570 1.00 26.71 O ATOM 1940 H GLY A 594 117.410 -35.075 -8.488 1.00 0.00 H ATOM 1941 N LYS A 595 119.634 -37.291 -8.682 1.00 20.63 N ATOM 1942 CA LYS A 595 120.799 -38.100 -8.361 1.00 23.91 C ATOM 1943 C LYS A 595 120.501 -39.026 -7.186 1.00 27.76 C ATOM 1944 O LYS A 595 119.598 -38.783 -6.388 1.00 25.00 O ATOM 1945 CB LYS A 595 122.000 -37.206 -8.044 1.00 23.01 C ATOM 1946 CG LYS A 595 122.522 -36.507 -9.283 1.00 28.80 C ATOM 1947 CD LYS A 595 123.827 -35.779 -9.040 1.00 39.74 C ATOM 1948 CE LYS A 595 124.364 -35.196 -10.338 1.00 65.84 C ATOM 1949 NZ LYS A 595 125.675 -34.521 -10.160 1.00 81.86 N ATOM 1950 HZ1 LYS A 595 125.573 -33.743 -9.477 1.00 0.00 H ATOM 1951 HZ2 LYS A 595 126.371 -35.207 -9.805 1.00 0.00 H ATOM 1952 HZ3 LYS A 595 125.995 -34.142 -11.074 1.00 0.00 H ATOM 1953 H LYS A 595 119.639 -36.270 -8.483 1.00 0.00 H ATOM 1954 N MET A 596 121.262 -40.120 -7.104 1.00 18.31 N ATOM 1955 CA MET A 596 121.126 -41.040 -5.980 1.00 17.78 C ATOM 1956 C MET A 596 121.897 -40.511 -4.770 1.00 21.55 C ATOM 1957 O MET A 596 123.094 -40.235 -4.875 1.00 17.12 O ATOM 1958 CB MET A 596 121.638 -42.427 -6.350 1.00 30.47 C ATOM 1959 CG MET A 596 121.648 -43.424 -5.188 1.00 35.14 C ATOM 1960 SD MET A 596 121.958 -45.141 -5.684 1.00 40.29 S ATOM 1961 CE MET A 596 123.514 -44.977 -6.528 1.00 44.71 C ATOM 1962 H MET A 596 121.959 -40.318 -7.850 1.00 0.00 H ATOM 1963 N PRO A 597 121.270 -40.392 -3.608 1.00 23.89 N ATOM 1964 CA PRO A 597 122.019 -39.955 -2.425 1.00 20.67 C ATOM 1965 C PRO A 597 123.098 -40.961 -2.046 1.00 17.12 C ATOM 1966 O PRO A 597 122.867 -42.171 -2.041 1.00 17.52 O ATOM 1967 CB PRO A 597 120.944 -39.850 -1.336 1.00 24.35 C ATOM 1968 CG PRO A 597 119.632 -39.983 -2.031 1.00 24.13 C ATOM 1969 CD PRO A 597 119.877 -40.739 -3.285 1.00 20.64 C ATOM 1970 N TYR A 598 124.281 -40.434 -1.707 1.00 22.63 N ATOM 1971 CA TYR A 598 125.437 -41.229 -1.286 1.00 15.17 C ATOM 1972 C TYR A 598 125.816 -42.262 -2.342 1.00 16.75 C ATOM 1973 O TYR A 598 126.149 -43.409 -2.034 1.00 18.43 O ATOM 1974 CB TYR A 598 125.186 -41.911 0.063 1.00 20.80 C ATOM 1975 CG TYR A 598 124.506 -41.046 1.089 1.00 17.22 C ATOM 1976 CD1 TYR A 598 125.223 -40.148 1.874 1.00 22.33 C ATOM 1977 CD2 TYR A 598 123.145 -41.134 1.278 1.00 27.40 C ATOM 1978 CE1 TYR A 598 124.586 -39.368 2.822 1.00 15.11 C ATOM 1979 CE2 TYR A 598 122.504 -40.366 2.215 1.00 28.42 C ATOM 1980 CZ TYR A 598 123.220 -39.489 2.984 1.00 22.58 C ATOM 1981 OH TYR A 598 122.539 -38.751 3.918 1.00 27.12 O ATOM 1982 HH TYR A 598 122.099 -39.361 4.562 1.00 0.00 H ATOM 1983 H TYR A 598 124.385 -39.400 -1.745 1.00 0.00 H ATOM 1984 N GLU A 599 125.790 -41.849 -3.601 1.00 18.11 N ATOM 1985 CA GLU A 599 126.084 -42.774 -4.688 1.00 21.85 C ATOM 1986 C GLU A 599 127.487 -43.360 -4.520 1.00 19.15 C ATOM 1987 O GLU A 599 128.406 -42.688 -4.042 1.00 18.07 O ATOM 1988 CB GLU A 599 125.939 -42.059 -6.036 1.00 31.70 C ATOM 1989 CG GLU A 599 126.246 -42.936 -7.248 1.00 61.64 C ATOM 1990 CD GLU A 599 126.063 -42.218 -8.577 1.00 62.30 C ATOM 1991 OE1 GLU A 599 125.576 -41.065 -8.590 1.00 50.90 O ATOM 1992 OE2 GLU A 599 126.417 -42.816 -9.614 1.00 70.18 O ATOM 1993 H GLU A 599 125.558 -40.858 -3.815 1.00 0.00 H ATOM 1994 N ARG A 600 127.622 -44.647 -4.853 1.00 23.91 N ATOM 1995 CA ARG A 600 128.855 -45.425 -4.702 1.00 29.19 C ATOM 1996 C ARG A 600 129.139 -45.803 -3.247 1.00 30.52 C ATOM 1997 O ARG A 600 130.097 -46.537 -2.980 1.00 25.02 O ATOM 1998 CB ARG A 600 130.079 -44.689 -5.270 1.00 29.63 C ATOM 1999 CG ARG A 600 129.983 -44.243 -6.737 1.00 29.67 C ATOM 2000 CD ARG A 600 129.743 -45.381 -7.722 1.00 38.98 C ATOM 2001 NE ARG A 600 129.246 -44.864 -9.001 1.00 60.96 N ATOM 2002 CZ ARG A 600 130.010 -44.516 -10.037 1.00 71.84 C ATOM 2003 NH1 ARG A 600 129.446 -44.044 -11.142 1.00 59.26 N ATOM 2004 NH2 ARG A 600 131.332 -44.640 -9.984 1.00 87.37 N ATOM 2005 HE ARG A 600 128.217 -44.761 -9.109 1.00 0.00 H ATOM 2006 HH12 ARG A 600 130.038 -43.771 -11.952 1.00 0.00 H ATOM 2007 HH11 ARG A 600 128.412 -43.947 -11.197 1.00 0.00 H ATOM 2008 HH22 ARG A 600 131.913 -44.364 -10.801 1.00 0.00 H ATOM 2009 HH21 ARG A 600 131.785 -45.013 -9.126 1.00 0.00 H ATOM 2010 H ARG A 600 126.791 -45.132 -5.248 1.00 0.00 H ATOM 2011 N PHE A 601 128.352 -45.294 -2.298 1.00 24.17 N ATOM 2012 CA PHE A 601 128.360 -45.815 -0.933 1.00 28.90 C ATOM 2013 C PHE A 601 127.381 -46.980 -0.862 1.00 21.88 C ATOM 2014 O PHE A 601 126.311 -46.933 -1.475 1.00 23.98 O ATOM 2015 CB PHE A 601 127.930 -44.767 0.102 1.00 25.89 C ATOM 2016 CG PHE A 601 128.905 -43.632 0.322 1.00 28.38 C ATOM 2017 CD1 PHE A 601 129.059 -42.623 -0.616 1.00 22.96 C ATOM 2018 CD2 PHE A 601 129.599 -43.525 1.523 1.00 30.86 C ATOM 2019 CE1 PHE A 601 129.934 -41.560 -0.380 1.00 23.38 C ATOM 2020 CE2 PHE A 601 130.474 -42.468 1.755 1.00 31.55 C ATOM 2021 CZ PHE A 601 130.635 -41.486 0.800 1.00 24.91 C ATOM 2022 H PHE A 601 127.716 -44.506 -2.536 1.00 0.00 H ATOM 2023 N THR A 602 127.743 -48.023 -0.113 1.00 26.07 N ATOM 2024 CA THR A 602 126.764 -49.051 0.197 1.00 30.13 C ATOM 2025 C THR A 602 125.816 -48.529 1.276 1.00 27.91 C ATOM 2026 O THR A 602 126.009 -47.450 1.843 1.00 24.80 O ATOM 2027 CB THR A 602 127.432 -50.346 0.668 1.00 26.46 C ATOM 2028 OG1 THR A 602 128.032 -50.133 1.949 1.00 34.05 O ATOM 2029 CG2 THR A 602 128.507 -50.828 -0.324 1.00 23.29 C ATOM 2030 HG1 THR A 602 128.712 -49.417 1.879 1.00 0.00 H ATOM 2031 H THR A 602 128.716 -48.100 0.245 1.00 0.00 H ATOM 2032 N ASN A 603 124.767 -49.304 1.543 1.00 23.98 N ATOM 2033 CA ASN A 603 123.824 -48.932 2.589 1.00 20.27 C ATOM 2034 C ASN A 603 124.504 -48.890 3.955 1.00 17.77 C ATOM 2035 O ASN A 603 124.263 -47.971 4.746 1.00 20.35 O ATOM 2036 CB ASN A 603 122.640 -49.905 2.607 1.00 25.94 C ATOM 2037 CG ASN A 603 121.551 -49.542 1.590 1.00 39.62 C ATOM 2038 OD1 ASN A 603 121.581 -48.477 0.970 1.00 34.36 O ATOM 2039 ND2 ASN A 603 120.572 -50.431 1.436 1.00 37.32 N ATOM 2040 HD22 ASN A 603 120.585 -51.318 1.979 1.00 0.00 H ATOM 2041 HD21 ASN A 603 119.794 -50.239 0.773 1.00 0.00 H ATOM 2042 H ASN A 603 124.620 -50.180 1.002 1.00 0.00 H ATOM 2043 N SER A 604 125.367 -49.865 4.252 1.00 25.88 N ATOM 2044 CA SER A 604 126.027 -49.863 5.554 1.00 28.73 C ATOM 2045 C SER A 604 127.027 -48.716 5.652 1.00 25.52 C ATOM 2046 O SER A 604 127.108 -48.039 6.683 1.00 24.61 O ATOM 2047 CB SER A 604 126.708 -51.208 5.817 1.00 32.16 C ATOM 2048 OG SER A 604 127.638 -51.532 4.800 1.00 43.67 O ATOM 2049 HG SER A 604 128.057 -52.406 5.004 1.00 0.00 H ATOM 2050 H SER A 604 125.567 -50.618 3.563 1.00 0.00 H ATOM 2051 N GLU A 605 127.782 -48.470 4.583 1.00 22.43 N ATOM 2052 CA GLU A 605 128.686 -47.322 4.564 1.00 35.05 C ATOM 2053 C GLU A 605 127.916 -46.016 4.739 1.00 18.68 C ATOM 2054 O GLU A 605 128.398 -45.077 5.387 1.00 22.34 O ATOM 2055 CB GLU A 605 129.479 -47.309 3.256 1.00 26.03 C ATOM 2056 CG GLU A 605 130.392 -48.527 3.076 1.00 27.21 C ATOM 2057 CD GLU A 605 131.069 -48.553 1.729 1.00 28.36 C ATOM 2058 OE1 GLU A 605 132.225 -49.019 1.660 1.00 30.70 O ATOM 2059 OE2 GLU A 605 130.449 -48.089 0.746 1.00 24.53 O ATOM 2060 H GLU A 605 127.728 -49.099 3.756 1.00 0.00 H ATOM 2061 N THR A 606 126.716 -45.934 4.171 1.00 22.61 N ATOM 2062 CA THR A 606 125.884 -44.753 4.379 1.00 16.56 C ATOM 2063 C THR A 606 125.506 -44.615 5.846 1.00 21.97 C ATOM 2064 O THR A 606 125.605 -43.529 6.429 1.00 24.39 O ATOM 2065 CB THR A 606 124.635 -44.828 3.497 1.00 24.77 C ATOM 2066 OG1 THR A 606 125.032 -44.899 2.123 1.00 30.14 O ATOM 2067 CG2 THR A 606 123.757 -43.599 3.695 1.00 21.24 C ATOM 2068 HG1 THR A 606 125.587 -45.706 1.982 1.00 0.00 H ATOM 2069 H THR A 606 126.369 -46.714 3.577 1.00 0.00 H ATOM 2070 N ALA A 607 125.080 -45.718 6.464 1.00 20.59 N ATOM 2071 CA ALA A 607 124.683 -45.674 7.869 1.00 25.09 C ATOM 2072 C ALA A 607 125.849 -45.249 8.744 1.00 21.30 C ATOM 2073 O ALA A 607 125.711 -44.385 9.617 1.00 25.90 O ATOM 2074 CB ALA A 607 124.163 -47.042 8.311 1.00 30.23 C ATOM 2075 H ALA A 607 125.030 -46.616 5.941 1.00 0.00 H ATOM 2076 N GLU A 608 127.006 -45.871 8.528 1.00 25.02 N ATOM 2077 CA GLU A 608 128.222 -45.507 9.247 1.00 37.85 C ATOM 2078 C GLU A 608 128.551 -44.033 9.046 1.00 35.87 C ATOM 2079 O GLU A 608 128.796 -43.296 10.008 1.00 33.75 O ATOM 2080 CB GLU A 608 129.365 -46.398 8.748 1.00 66.15 C ATOM 2081 CG GLU A 608 130.717 -46.225 9.416 1.00 87.90 C ATOM 2082 CD GLU A 608 131.795 -47.051 8.724 1.00100.70 C ATOM 2083 OE1 GLU A 608 132.871 -46.496 8.409 1.00112.39 O ATOM 2084 OE2 GLU A 608 131.557 -48.253 8.478 1.00 92.57 O ATOM 2085 H GLU A 608 127.044 -46.638 7.827 1.00 0.00 H ATOM 2086 N HIS A 609 128.527 -43.551 7.808 1.00 26.76 N ATOM 2087 CA HIS A 609 129.015 -42.192 7.617 1.00 35.77 C ATOM 2088 C HIS A 609 127.998 -41.120 8.004 1.00 29.68 C ATOM 2089 O HIS A 609 128.405 -40.002 8.329 1.00 34.94 O ATOM 2090 CB HIS A 609 129.510 -42.017 6.181 1.00 39.48 C ATOM 2091 CG HIS A 609 130.868 -42.611 5.960 1.00 36.18 C ATOM 2092 ND1 HIS A 609 131.057 -43.935 5.622 1.00 34.22 N ATOM 2093 CD2 HIS A 609 132.105 -42.075 6.085 1.00 29.15 C ATOM 2094 CE1 HIS A 609 132.351 -44.181 5.522 1.00 36.55 C ATOM 2095 NE2 HIS A 609 133.009 -43.070 5.802 1.00 35.65 N ATOM 2096 H HIS A 609 128.175 -44.119 7.011 1.00 0.00 H ATOM 2097 N ILE A 610 126.699 -41.419 8.032 1.00 22.86 N ATOM 2098 CA ILE A 610 125.796 -40.434 8.620 1.00 34.58 C ATOM 2099 C ILE A 610 125.873 -40.472 10.147 1.00 33.74 C ATOM 2100 O ILE A 610 125.715 -39.438 10.809 1.00 31.21 O ATOM 2101 CB ILE A 610 124.356 -40.628 8.104 1.00 35.43 C ATOM 2102 CG1 ILE A 610 123.790 -41.975 8.528 1.00 42.99 C ATOM 2103 CG2 ILE A 610 124.301 -40.464 6.583 1.00 26.78 C ATOM 2104 CD1 ILE A 610 122.859 -41.863 9.707 1.00 71.14 C ATOM 2105 H ILE A 610 126.343 -42.318 7.650 1.00 0.00 H ATOM 2106 N ALA A 611 126.158 -41.638 10.735 1.00 28.59 N ATOM 2107 CA ALA A 611 126.275 -41.702 12.187 1.00 36.88 C ATOM 2108 C ALA A 611 127.447 -40.865 12.684 1.00 39.29 C ATOM 2109 O ALA A 611 127.414 -40.366 13.816 1.00 42.99 O ATOM 2110 CB ALA A 611 126.421 -43.156 12.641 1.00 29.76 C ATOM 2111 H ALA A 611 126.295 -42.494 10.161 1.00 0.00 H ATOM 2112 N GLN A 612 128.478 -40.700 11.856 1.00 25.75 N ATOM 2113 CA GLN A 612 129.645 -39.888 12.178 1.00 38.15 C ATOM 2114 C GLN A 612 129.480 -38.423 11.782 1.00 40.65 C ATOM 2115 O GLN A 612 130.479 -37.699 11.707 1.00 35.47 O ATOM 2116 CB GLN A 612 130.885 -40.466 11.491 1.00 52.32 C ATOM 2117 CG GLN A 612 131.221 -41.892 11.902 1.00 68.98 C ATOM 2118 CD GLN A 612 131.694 -41.991 13.338 1.00 72.93 C ATOM 2119 OE1 GLN A 612 132.442 -41.141 13.817 1.00 89.63 O ATOM 2120 NE2 GLN A 612 131.256 -43.030 14.034 1.00 74.17 N ATOM 2121 HE22 GLN A 612 130.624 -43.725 13.588 1.00 0.00 H ATOM 2122 HE21 GLN A 612 131.544 -43.150 15.026 1.00 0.00 H ATOM 2123 H GLN A 612 128.448 -41.176 10.932 1.00 0.00 H ATOM 2124 N GLY A 613 128.258 -37.979 11.499 1.00 26.19 N ATOM 2125 CA GLY A 613 127.982 -36.575 11.282 1.00 32.99 C ATOM 2126 C GLY A 613 128.069 -36.096 9.847 1.00 41.17 C ATOM 2127 O GLY A 613 127.849 -34.902 9.599 1.00 28.07 O ATOM 2128 H GLY A 613 127.477 -38.662 11.432 1.00 0.00 H ATOM 2129 N LEU A 614 128.367 -36.974 8.895 1.00 40.08 N ATOM 2130 CA LEU A 614 128.551 -36.552 7.515 1.00 44.53 C ATOM 2131 C LEU A 614 127.205 -36.464 6.799 1.00 33.26 C ATOM 2132 O LEU A 614 126.293 -37.253 7.058 1.00 22.68 O ATOM 2133 CB LEU A 614 129.491 -37.516 6.794 1.00 50.13 C ATOM 2134 CG LEU A 614 130.925 -37.504 7.343 1.00 62.11 C ATOM 2135 CD1 LEU A 614 131.569 -38.895 7.382 1.00 57.31 C ATOM 2136 CD2 LEU A 614 131.771 -36.553 6.509 1.00 70.51 C ATOM 2137 H LEU A 614 128.470 -37.979 9.141 1.00 0.00 H ATOM 2138 N ARG A 615 127.086 -35.486 5.900 1.00 22.69 N ATOM 2139 CA ARG A 615 125.817 -35.130 5.283 1.00 23.09 C ATOM 2140 C ARG A 615 125.976 -34.958 3.776 1.00 21.08 C ATOM 2141 O ARG A 615 127.087 -34.808 3.252 1.00 25.11 O ATOM 2142 CB ARG A 615 125.253 -33.830 5.897 1.00 17.34 C ATOM 2143 CG ARG A 615 125.075 -33.902 7.426 1.00 30.07 C ATOM 2144 CD ARG A 615 124.016 -34.926 7.799 1.00 24.39 C ATOM 2145 NE ARG A 615 123.698 -34.947 9.234 1.00 21.08 N ATOM 2146 CZ ARG A 615 124.024 -35.921 10.084 1.00 27.90 C ATOM 2147 NH1 ARG A 615 124.697 -36.993 9.676 1.00 22.98 N ATOM 2148 NH2 ARG A 615 123.669 -35.827 11.362 1.00 35.33 N ATOM 2149 HE ARG A 615 123.175 -34.134 9.618 1.00 0.00 H ATOM 2150 HH12 ARG A 615 124.942 -37.742 10.354 1.00 0.00 H ATOM 2151 HH11 ARG A 615 124.978 -37.082 8.679 1.00 0.00 H ATOM 2152 HH22 ARG A 615 123.921 -36.584 12.029 1.00 0.00 H ATOM 2153 HH21 ARG A 615 123.139 -34.996 11.695 1.00 0.00 H ATOM 2154 H ARG A 615 127.938 -34.954 5.628 1.00 0.00 H ATOM 2155 N LEU A 616 124.838 -34.977 3.084 1.00 24.27 N ATOM 2156 CA LEU A 616 124.813 -34.741 1.642 1.00 22.59 C ATOM 2157 C LEU A 616 125.269 -33.327 1.308 1.00 23.31 C ATOM 2158 O LEU A 616 124.931 -32.367 2.006 1.00 18.66 O ATOM 2159 CB LEU A 616 123.407 -34.954 1.088 1.00 22.76 C ATOM 2160 CG LEU A 616 122.900 -36.395 1.147 1.00 25.02 C ATOM 2161 CD1 LEU A 616 121.369 -36.388 1.121 1.00 24.61 C ATOM 2162 CD2 LEU A 616 123.491 -37.210 -0.007 1.00 23.67 C ATOM 2163 H LEU A 616 123.945 -35.165 3.582 1.00 0.00 H ATOM 2164 N TYR A 617 126.032 -33.207 0.224 1.00 19.88 N ATOM 2165 CA TYR A 617 126.563 -31.927 -0.210 1.00 21.18 C ATOM 2166 C TYR A 617 125.450 -31.059 -0.789 1.00 22.22 C ATOM 2167 O TYR A 617 124.379 -31.545 -1.145 1.00 17.34 O ATOM 2168 CB TYR A 617 127.665 -32.141 -1.243 1.00 19.75 C ATOM 2169 CG TYR A 617 127.208 -32.780 -2.540 1.00 33.78 C ATOM 2170 CD1 TYR A 617 126.651 -32.012 -3.561 1.00 39.69 C ATOM 2171 CD2 TYR A 617 127.350 -34.145 -2.753 1.00 39.83 C ATOM 2172 CE1 TYR A 617 126.239 -32.589 -4.747 1.00 45.03 C ATOM 2173 CE2 TYR A 617 126.943 -34.730 -3.937 1.00 49.77 C ATOM 2174 CZ TYR A 617 126.388 -33.949 -4.932 1.00 46.83 C ATOM 2175 OH TYR A 617 125.978 -34.531 -6.114 1.00 32.12 O ATOM 2176 HH TYR A 617 125.607 -33.835 -6.712 1.00 0.00 H ATOM 2177 H TYR A 617 126.255 -34.058 -0.330 1.00 0.00 H ATOM 2178 N ARG A 618 125.715 -29.756 -0.883 1.00 16.99 N ATOM 2179 CA ARG A 618 124.729 -28.844 -1.457 1.00 20.51 C ATOM 2180 C ARG A 618 124.674 -29.032 -2.969 1.00 20.20 C ATOM 2181 O ARG A 618 125.699 -28.864 -3.644 1.00 24.55 O ATOM 2182 CB ARG A 618 125.063 -27.393 -1.131 1.00 29.18 C ATOM 2183 CG ARG A 618 124.144 -26.371 -1.830 1.00 26.53 C ATOM 2184 CD ARG A 618 124.576 -24.940 -1.557 1.00 24.26 C ATOM 2185 NE ARG A 618 125.910 -24.677 -2.101 1.00 28.47 N ATOM 2186 CZ ARG A 618 126.181 -24.511 -3.397 1.00 34.46 C ATOM 2187 NH1 ARG A 618 125.215 -24.578 -4.305 1.00 21.27 N ATOM 2188 NH2 ARG A 618 127.428 -24.285 -3.791 1.00 25.09 N ATOM 2189 HE ARG A 618 126.702 -24.615 -1.430 1.00 0.00 H ATOM 2190 HH12 ARG A 618 125.438 -24.447 -5.312 1.00 0.00 H ATOM 2191 HH11 ARG A 618 124.235 -24.761 -4.009 1.00 0.00 H ATOM 2192 HH22 ARG A 618 127.639 -24.156 -4.801 1.00 0.00 H ATOM 2193 HH21 ARG A 618 128.194 -24.237 -3.090 1.00 0.00 H ATOM 2194 H ARG A 618 126.627 -29.387 -0.546 1.00 0.00 H ATOM 2195 N PRO A 619 123.530 -29.364 -3.545 1.00 22.64 N ATOM 2196 CA PRO A 619 123.473 -29.482 -5.005 1.00 18.40 C ATOM 2197 C PRO A 619 123.689 -28.126 -5.661 1.00 19.73 C ATOM 2198 O PRO A 619 123.369 -27.079 -5.098 1.00 21.87 O ATOM 2199 CB PRO A 619 122.067 -30.029 -5.268 1.00 27.00 C ATOM 2200 CG PRO A 619 121.607 -30.571 -3.940 1.00 32.22 C ATOM 2201 CD PRO A 619 122.245 -29.706 -2.918 1.00 29.88 C ATOM 2202 N HIS A 620 124.278 -28.159 -6.859 1.00 17.57 N ATOM 2203 CA HIS A 620 124.609 -26.929 -7.573 1.00 18.30 C ATOM 2204 C HIS A 620 123.427 -25.969 -7.646 1.00 22.54 C ATOM 2205 O HIS A 620 123.594 -24.753 -7.490 1.00 22.64 O ATOM 2206 CB HIS A 620 125.100 -27.262 -8.988 1.00 25.93 C ATOM 2207 CG HIS A 620 126.566 -27.562 -9.060 1.00 36.53 C ATOM 2208 ND1 HIS A 620 127.075 -28.830 -8.888 1.00 37.90 N ATOM 2209 CD2 HIS A 620 127.633 -26.754 -9.273 1.00 37.77 C ATOM 2210 CE1 HIS A 620 128.392 -28.793 -8.995 1.00 38.19 C ATOM 2211 NE2 HIS A 620 128.757 -27.544 -9.222 1.00 38.74 N ATOM 2212 H HIS A 620 124.505 -29.077 -7.291 1.00 0.00 H ATOM 2213 N LEU A 621 122.226 -26.486 -7.877 1.00 21.45 N ATOM 2214 CA LEU A 621 121.108 -25.581 -8.110 1.00 20.98 C ATOM 2215 C LEU A 621 120.465 -25.080 -6.825 1.00 26.13 C ATOM 2216 O LEU A 621 119.513 -24.298 -6.910 1.00 26.55 O ATOM 2217 CB LEU A 621 120.051 -26.255 -8.986 1.00 21.39 C ATOM 2218 CG LEU A 621 120.399 -26.394 -10.469 1.00 23.98 C ATOM 2219 CD1 LEU A 621 119.363 -27.257 -11.169 1.00 28.59 C ATOM 2220 CD2 LEU A 621 120.492 -25.041 -11.147 1.00 23.65 C ATOM 2221 H LEU A 621 122.086 -27.516 -7.891 1.00 0.00 H ATOM 2222 N ALA A 622 120.953 -25.489 -5.649 1.00 19.50 N ATOM 2223 CA ALA A 622 120.365 -25.049 -4.386 1.00 16.23 C ATOM 2224 C ALA A 622 121.083 -23.796 -3.899 1.00 16.86 C ATOM 2225 O ALA A 622 122.315 -23.754 -3.832 1.00 19.07 O ATOM 2226 CB ALA A 622 120.426 -26.136 -3.311 1.00 15.61 C ATOM 2227 H ALA A 622 121.769 -26.134 -5.633 1.00 0.00 H ATOM 2228 N SER A 623 120.306 -22.767 -3.597 1.00 19.02 N ATOM 2229 CA SER A 623 120.855 -21.586 -2.966 1.00 19.27 C ATOM 2230 C SER A 623 121.267 -21.920 -1.536 1.00 20.60 C ATOM 2231 O SER A 623 120.887 -22.958 -0.977 1.00 19.15 O ATOM 2232 CB SER A 623 119.826 -20.465 -2.949 1.00 36.97 C ATOM 2233 OG SER A 623 118.791 -20.795 -2.039 1.00 28.55 O ATOM 2234 HG SER A 623 118.120 -20.067 -2.026 1.00 0.00 H ATOM 2235 H SER A 623 119.290 -22.808 -3.816 1.00 0.00 H ATOM 2236 N GLU A 624 122.031 -21.008 -0.937 1.00 18.06 N ATOM 2237 CA GLU A 624 122.405 -21.152 0.465 1.00 22.35 C ATOM 2238 C GLU A 624 121.172 -21.292 1.349 1.00 21.91 C ATOM 2239 O GLU A 624 121.116 -22.174 2.208 1.00 20.80 O ATOM 2240 CB GLU A 624 123.249 -19.958 0.910 1.00 42.88 C ATOM 2241 CG GLU A 624 124.392 -20.323 1.830 1.00 74.69 C ATOM 2242 CD GLU A 624 125.429 -21.199 1.150 1.00 79.84 C ATOM 2243 OE1 GLU A 624 126.120 -20.716 0.224 1.00 70.04 O ATOM 2244 OE2 GLU A 624 125.541 -22.377 1.540 1.00 79.57 O ATOM 2245 H GLU A 624 122.365 -20.183 -1.476 1.00 0.00 H ATOM 2246 N LYS A 625 120.166 -20.434 1.145 1.00 22.94 N ATOM 2247 CA LYS A 625 118.957 -20.508 1.959 1.00 26.29 C ATOM 2248 C LYS A 625 118.275 -21.857 1.797 1.00 21.35 C ATOM 2249 O LYS A 625 117.838 -22.464 2.780 1.00 21.09 O ATOM 2250 CB LYS A 625 117.986 -19.391 1.583 1.00 29.06 C ATOM 2251 CG LYS A 625 118.525 -17.999 1.769 1.00 39.22 C ATOM 2252 CD LYS A 625 117.545 -16.968 1.228 1.00 90.40 C ATOM 2253 CE LYS A 625 118.250 -15.705 0.767 1.00115.00 C ATOM 2254 NZ LYS A 625 119.004 -15.054 1.868 1.00131.44 N ATOM 2255 HZ1 LYS A 625 118.347 -14.799 2.633 1.00 0.00 H ATOM 2256 HZ2 LYS A 625 119.722 -15.713 2.232 1.00 0.00 H ATOM 2257 HZ3 LYS A 625 119.469 -14.196 1.508 1.00 0.00 H ATOM 2258 H LYS A 625 120.246 -19.710 0.402 1.00 0.00 H ATOM 2259 N VAL A 626 118.168 -22.339 0.559 1.00 19.71 N ATOM 2260 CA VAL A 626 117.522 -23.622 0.312 1.00 17.76 C ATOM 2261 C VAL A 626 118.272 -24.736 1.017 1.00 14.87 C ATOM 2262 O VAL A 626 117.665 -25.646 1.596 1.00 22.89 O ATOM 2263 CB VAL A 626 117.424 -23.888 -1.203 1.00 25.52 C ATOM 2264 CG1 VAL A 626 117.074 -25.351 -1.475 1.00 25.20 C ATOM 2265 CG2 VAL A 626 116.396 -22.937 -1.851 1.00 28.36 C ATOM 2266 H VAL A 626 118.550 -21.793 -0.240 1.00 0.00 H ATOM 2267 N TYR A 627 119.603 -24.720 0.932 1.00 15.95 N ATOM 2268 CA TYR A 627 120.388 -25.774 1.570 1.00 19.16 C ATOM 2269 C TYR A 627 120.231 -25.727 3.085 1.00 18.96 C ATOM 2270 O TYR A 627 120.149 -26.770 3.741 1.00 21.43 O ATOM 2271 CB TYR A 627 121.857 -25.643 1.175 1.00 21.99 C ATOM 2272 CG TYR A 627 122.723 -26.787 1.645 1.00 19.60 C ATOM 2273 CD1 TYR A 627 122.465 -28.097 1.235 1.00 15.75 C ATOM 2274 CD2 TYR A 627 123.802 -26.561 2.497 1.00 22.47 C ATOM 2275 CE1 TYR A 627 123.260 -29.146 1.659 1.00 23.56 C ATOM 2276 CE2 TYR A 627 124.603 -27.603 2.923 1.00 31.43 C ATOM 2277 CZ TYR A 627 124.330 -28.883 2.502 1.00 18.62 C ATOM 2278 OH TYR A 627 125.112 -29.909 2.930 1.00 19.18 O ATOM 2279 HH TYR A 627 124.784 -30.757 2.539 1.00 0.00 H ATOM 2280 H TYR A 627 120.082 -23.957 0.412 1.00 0.00 H ATOM 2281 N THR A 628 120.196 -24.522 3.654 1.00 17.20 N ATOM 2282 CA THR A 628 119.992 -24.377 5.092 1.00 17.94 C ATOM 2283 C THR A 628 118.713 -25.074 5.520 1.00 24.13 C ATOM 2284 O THR A 628 118.656 -25.683 6.595 1.00 15.47 O ATOM 2285 CB THR A 628 119.946 -22.895 5.466 1.00 16.96 C ATOM 2286 OG1 THR A 628 121.209 -22.290 5.179 1.00 25.73 O ATOM 2287 CG2 THR A 628 119.610 -22.714 6.950 1.00 23.94 C ATOM 2288 HG1 THR A 628 121.405 -22.381 4.213 1.00 0.00 H ATOM 2289 H THR A 628 120.316 -23.673 3.065 1.00 0.00 H ATOM 2290 N ILE A 629 117.679 -25.008 4.676 1.00 22.16 N ATOM 2291 CA ILE A 629 116.413 -25.650 4.997 1.00 26.32 C ATOM 2292 C ILE A 629 116.561 -27.166 4.977 1.00 22.10 C ATOM 2293 O ILE A 629 116.152 -27.853 5.919 1.00 16.27 O ATOM 2294 CB ILE A 629 115.311 -25.174 4.033 1.00 20.69 C ATOM 2295 CG1 ILE A 629 115.076 -23.675 4.219 1.00 25.03 C ATOM 2296 CG2 ILE A 629 114.013 -25.966 4.250 1.00 19.27 C ATOM 2297 CD1 ILE A 629 114.123 -23.070 3.206 1.00 21.85 C ATOM 2298 H ILE A 629 117.780 -24.492 3.779 1.00 0.00 H ATOM 2299 N MET A 630 117.124 -27.718 3.900 1.00 19.93 N ATOM 2300 CA MET A 630 117.238 -29.171 3.832 1.00 24.79 C ATOM 2301 C MET A 630 118.209 -29.678 4.892 1.00 17.19 C ATOM 2302 O MET A 630 117.993 -30.752 5.467 1.00 16.61 O ATOM 2303 CB MET A 630 117.644 -29.619 2.410 1.00 17.32 C ATOM 2304 CG MET A 630 119.101 -29.512 2.052 1.00 23.43 C ATOM 2305 SD MET A 630 119.489 -30.183 0.383 1.00 20.65 S ATOM 2306 CE MET A 630 118.556 -29.077 -0.689 1.00 30.23 C ATOM 2307 H MET A 630 117.475 -27.123 3.123 1.00 0.00 H ATOM 2308 N TYR A 631 119.245 -28.888 5.202 1.00 16.86 N ATOM 2309 CA TYR A 631 120.238 -29.274 6.199 1.00 18.32 C ATOM 2310 C TYR A 631 119.654 -29.306 7.606 1.00 15.73 C ATOM 2311 O TYR A 631 120.078 -30.124 8.437 1.00 17.43 O ATOM 2312 CB TYR A 631 121.428 -28.312 6.143 1.00 23.16 C ATOM 2313 CG TYR A 631 122.728 -28.877 6.710 1.00 22.14 C ATOM 2314 CD1 TYR A 631 123.049 -28.727 8.048 1.00 30.63 C ATOM 2315 CD2 TYR A 631 123.623 -29.560 5.897 1.00 23.58 C ATOM 2316 CE1 TYR A 631 124.230 -29.244 8.570 1.00 31.53 C ATOM 2317 CE2 TYR A 631 124.809 -30.069 6.401 1.00 26.93 C ATOM 2318 CZ TYR A 631 125.106 -29.911 7.741 1.00 32.58 C ATOM 2319 OH TYR A 631 126.277 -30.423 8.251 1.00 43.67 O ATOM 2320 HH TYR A 631 127.047 -30.011 7.784 1.00 0.00 H ATOM 2321 H TYR A 631 119.345 -27.973 4.718 1.00 0.00 H ATOM 2322 N SER A 632 118.704 -28.425 7.908 1.00 22.80 N ATOM 2323 CA SER A 632 118.107 -28.437 9.241 1.00 24.67 C ATOM 2324 C SER A 632 117.325 -29.724 9.497 1.00 19.35 C ATOM 2325 O SER A 632 117.044 -30.053 10.654 1.00 17.32 O ATOM 2326 CB SER A 632 117.196 -27.213 9.432 1.00 23.04 C ATOM 2327 OG SER A 632 116.051 -27.284 8.589 1.00 21.87 O ATOM 2328 HG SER A 632 116.341 -27.317 7.643 1.00 0.00 H ATOM 2329 H SER A 632 118.388 -27.732 7.199 1.00 0.00 H ATOM 2330 N CYS A 633 116.980 -30.461 8.448 1.00 21.62 N ATOM 2331 CA CYS A 633 116.288 -31.737 8.595 1.00 24.77 C ATOM 2332 C CYS A 633 117.202 -32.837 9.099 1.00 23.53 C ATOM 2333 O CYS A 633 116.722 -33.910 9.487 1.00 17.12 O ATOM 2334 CB CYS A 633 115.707 -32.171 7.250 1.00 19.32 C ATOM 2335 SG CYS A 633 114.432 -31.099 6.567 1.00 18.71 S ATOM 2336 H CYS A 633 117.210 -30.119 7.493 1.00 0.00 H ATOM 2337 N TRP A 634 118.505 -32.606 9.082 1.00 19.93 N ATOM 2338 CA TRP A 634 119.475 -33.659 9.300 1.00 21.41 C ATOM 2339 C TRP A 634 120.211 -33.499 10.630 1.00 19.56 C ATOM 2340 O TRP A 634 121.269 -34.109 10.821 1.00 19.79 O ATOM 2341 CB TRP A 634 120.460 -33.686 8.135 1.00 21.79 C ATOM 2342 CG TRP A 634 119.828 -33.939 6.771 1.00 27.44 C ATOM 2343 CD1 TRP A 634 118.689 -34.651 6.489 1.00 22.78 C ATOM 2344 CD2 TRP A 634 120.326 -33.475 5.516 1.00 18.75 C ATOM 2345 NE1 TRP A 634 118.460 -34.658 5.118 1.00 17.80 N ATOM 2346 CE2 TRP A 634 119.451 -33.942 4.508 1.00 14.21 C ATOM 2347 CE3 TRP A 634 121.432 -32.705 5.143 1.00 29.18 C ATOM 2348 CZ2 TRP A 634 119.646 -33.653 3.161 1.00 24.13 C ATOM 2349 CZ3 TRP A 634 121.624 -32.428 3.798 1.00 40.66 C ATOM 2350 CH2 TRP A 634 120.735 -32.900 2.827 1.00 34.79 C ATOM 2351 HE1 TRP A 634 117.667 -35.129 4.637 1.00 0.00 H ATOM 2352 H TRP A 634 118.843 -31.638 8.907 1.00 0.00 H ATOM 2353 N HIS A 635 119.676 -32.693 11.553 1.00 21.33 N ATOM 2354 CA HIS A 635 120.230 -32.641 12.898 1.00 20.85 C ATOM 2355 C HIS A 635 120.328 -34.058 13.442 1.00 23.78 C ATOM 2356 O HIS A 635 119.379 -34.838 13.344 1.00 18.75 O ATOM 2357 CB HIS A 635 119.362 -31.773 13.833 1.00 28.41 C ATOM 2358 CG HIS A 635 119.505 -30.289 13.627 1.00 23.80 C ATOM 2359 ND1 HIS A 635 120.602 -29.570 14.056 1.00 22.89 N ATOM 2360 CD2 HIS A 635 118.665 -29.383 13.068 1.00 16.73 C ATOM 2361 CE1 HIS A 635 120.443 -28.293 13.753 1.00 22.99 C ATOM 2362 NE2 HIS A 635 119.277 -28.154 13.150 1.00 25.72 N ATOM 2363 H HIS A 635 118.858 -32.099 11.308 1.00 0.00 H ATOM 2364 N GLU A 636 121.484 -34.394 14.012 1.00 24.07 N ATOM 2365 CA GLU A 636 121.676 -35.728 14.580 1.00 27.66 C ATOM 2366 C GLU A 636 120.602 -36.041 15.615 1.00 24.63 C ATOM 2367 O GLU A 636 120.014 -37.127 15.606 1.00 20.29 O ATOM 2368 CB GLU A 636 123.068 -35.828 15.196 1.00 25.23 C ATOM 2369 CG GLU A 636 123.420 -37.161 15.851 1.00 36.80 C ATOM 2370 CD GLU A 636 124.783 -37.105 16.530 1.00 45.78 C ATOM 2371 OE1 GLU A 636 125.806 -36.921 15.826 1.00 54.72 O ATOM 2372 OE2 GLU A 636 124.823 -37.215 17.770 1.00 46.01 O ATOM 2373 H GLU A 636 122.258 -33.701 14.054 1.00 0.00 H ATOM 2374 N LYS A 637 120.326 -35.089 16.511 1.00 30.25 N ATOM 2375 CA LYS A 637 119.314 -35.254 17.552 1.00 27.99 C ATOM 2376 C LYS A 637 117.949 -34.866 16.999 1.00 22.98 C ATOM 2377 O LYS A 637 117.756 -33.740 16.525 1.00 19.98 O ATOM 2378 CB LYS A 637 119.662 -34.415 18.781 1.00 49.95 C ATOM 2379 CG LYS A 637 120.960 -34.843 19.455 1.00 55.00 C ATOM 2380 CD LYS A 637 120.871 -36.289 19.953 1.00 67.97 C ATOM 2381 CE LYS A 637 122.036 -36.663 20.854 1.00 79.45 C ATOM 2382 NZ LYS A 637 123.335 -36.193 20.308 1.00 93.61 N ATOM 2383 HZ1 LYS A 637 123.494 -36.624 19.375 1.00 0.00 H ATOM 2384 HZ2 LYS A 637 123.316 -35.157 20.214 1.00 0.00 H ATOM 2385 HZ3 LYS A 637 124.102 -36.470 20.954 1.00 0.00 H ATOM 2386 H LYS A 637 120.853 -34.194 16.466 1.00 0.00 H ATOM 2387 N ALA A 638 117.007 -35.807 17.053 1.00 21.84 N ATOM 2388 CA ALA A 638 115.734 -35.618 16.371 1.00 28.98 C ATOM 2389 C ALA A 638 114.998 -34.376 16.860 1.00 23.00 C ATOM 2390 O ALA A 638 114.314 -33.718 16.067 1.00 21.82 O ATOM 2391 CB ALA A 638 114.866 -36.861 16.548 1.00 28.78 C ATOM 2392 H ALA A 638 117.182 -36.683 17.586 1.00 0.00 H ATOM 2393 N ASP A 639 115.117 -34.033 18.148 1.00 21.34 N ATOM 2394 CA ASP A 639 114.324 -32.919 18.654 1.00 19.14 C ATOM 2395 C ASP A 639 114.846 -31.556 18.216 1.00 33.42 C ATOM 2396 O ASP A 639 114.163 -30.552 18.452 1.00 27.08 O ATOM 2397 CB ASP A 639 114.218 -32.975 20.183 1.00 24.08 C ATOM 2398 CG ASP A 639 115.553 -32.790 20.898 1.00 24.57 C ATOM 2399 OD1 ASP A 639 116.616 -33.179 20.370 1.00 29.04 O ATOM 2400 OD2 ASP A 639 115.515 -32.277 22.031 1.00 32.60 O ATOM 2401 H ASP A 639 115.763 -34.552 18.777 1.00 0.00 H ATOM 2402 N GLU A 640 116.010 -31.493 17.574 1.00 19.37 N ATOM 2403 CA GLU A 640 116.496 -30.255 16.975 1.00 18.29 C ATOM 2404 C GLU A 640 116.019 -30.067 15.542 1.00 19.67 C ATOM 2405 O GLU A 640 116.217 -28.988 14.973 1.00 19.67 O ATOM 2406 CB GLU A 640 118.027 -30.222 17.022 1.00 21.63 C ATOM 2407 CG GLU A 640 118.573 -29.823 18.389 1.00 36.29 C ATOM 2408 CD GLU A 640 120.058 -30.122 18.549 1.00 43.88 C ATOM 2409 OE1 GLU A 640 120.776 -30.146 17.533 1.00 44.29 O ATOM 2410 OE2 GLU A 640 120.505 -30.340 19.691 1.00 43.86 O ATOM 2411 H GLU A 640 116.591 -32.352 17.497 1.00 0.00 H ATOM 2412 N ARG A 641 115.378 -31.070 14.965 1.00 16.69 N ATOM 2413 CA ARG A 641 114.855 -30.943 13.618 1.00 15.85 C ATOM 2414 C ARG A 641 113.554 -30.154 13.624 1.00 21.96 C ATOM 2415 O ARG A 641 112.762 -30.257 14.560 1.00 17.60 O ATOM 2416 CB ARG A 641 114.610 -32.315 13.007 1.00 15.48 C ATOM 2417 CG ARG A 641 115.843 -33.170 12.970 1.00 17.35 C ATOM 2418 CD ARG A 641 115.582 -34.553 12.418 1.00 16.60 C ATOM 2419 NE ARG A 641 116.648 -35.432 12.878 1.00 16.23 N ATOM 2420 CZ ARG A 641 116.508 -36.721 13.153 1.00 29.04 C ATOM 2421 NH1 ARG A 641 117.551 -37.400 13.615 1.00 19.13 N ATOM 2422 NH2 ARG A 641 115.337 -37.327 12.977 1.00 21.62 N ATOM 2423 HE ARG A 641 117.593 -35.016 13.000 1.00 0.00 H ATOM 2424 HH12 ARG A 641 117.456 -38.412 13.835 1.00 0.00 H ATOM 2425 HH11 ARG A 641 118.463 -36.920 13.757 1.00 0.00 H ATOM 2426 HH22 ARG A 641 115.237 -38.339 13.196 1.00 0.00 H ATOM 2427 HH21 ARG A 641 114.521 -36.789 12.621 1.00 0.00 H ATOM 2428 H ARG A 641 115.247 -31.962 15.484 1.00 0.00 H ATOM 2429 N PRO A 642 113.295 -29.388 12.575 1.00 19.03 N ATOM 2430 CA PRO A 642 112.063 -28.595 12.523 1.00 25.02 C ATOM 2431 C PRO A 642 110.835 -29.485 12.374 1.00 24.73 C ATOM 2432 O PRO A 642 110.923 -30.693 12.159 1.00 21.97 O ATOM 2433 CB PRO A 642 112.278 -27.710 11.289 1.00 25.78 C ATOM 2434 CG PRO A 642 113.230 -28.494 10.428 1.00 24.67 C ATOM 2435 CD PRO A 642 114.143 -29.181 11.386 1.00 21.02 C ATOM 2436 N THR A 643 109.667 -28.865 12.518 1.00 23.37 N ATOM 2437 CA THR A 643 108.424 -29.483 12.088 1.00 18.92 C ATOM 2438 C THR A 643 108.167 -29.140 10.617 1.00 23.37 C ATOM 2439 O THR A 643 108.834 -28.294 10.009 1.00 16.75 O ATOM 2440 CB THR A 643 107.250 -29.001 12.936 1.00 22.52 C ATOM 2441 OG1 THR A 643 107.050 -27.605 12.685 1.00 18.17 O ATOM 2442 CG2 THR A 643 107.492 -29.242 14.455 1.00 21.98 C ATOM 2443 HG1 THR A 643 106.290 -27.279 13.229 1.00 0.00 H ATOM 2444 H THR A 643 109.643 -27.918 12.947 1.00 0.00 H ATOM 2445 N PHE A 644 107.163 -29.792 10.043 1.00 24.01 N ATOM 2446 CA PHE A 644 106.802 -29.468 8.672 1.00 25.96 C ATOM 2447 C PHE A 644 106.123 -28.101 8.583 1.00 32.66 C ATOM 2448 O PHE A 644 106.196 -27.446 7.536 1.00 24.12 O ATOM 2449 CB PHE A 644 105.920 -30.575 8.091 1.00 19.34 C ATOM 2450 CG PHE A 644 106.681 -31.803 7.695 1.00 15.25 C ATOM 2451 CD1 PHE A 644 107.492 -31.804 6.580 1.00 15.63 C ATOM 2452 CD2 PHE A 644 106.563 -32.969 8.419 1.00 20.96 C ATOM 2453 CE1 PHE A 644 108.186 -32.938 6.196 1.00 20.87 C ATOM 2454 CE2 PHE A 644 107.255 -34.103 8.039 1.00 14.75 C ATOM 2455 CZ PHE A 644 108.074 -34.084 6.930 1.00 16.76 C ATOM 2456 H PHE A 644 106.642 -30.524 10.566 1.00 0.00 H ATOM 2457 N LYS A 645 105.482 -27.644 9.668 1.00 21.14 N ATOM 2458 CA LYS A 645 104.922 -26.298 9.677 1.00 24.47 C ATOM 2459 C LYS A 645 106.027 -25.255 9.561 1.00 26.63 C ATOM 2460 O LYS A 645 105.896 -24.281 8.811 1.00 22.09 O ATOM 2461 CB LYS A 645 104.096 -26.080 10.949 1.00 23.10 C ATOM 2462 H LYS A 645 105.384 -28.252 10.506 1.00 0.00 H ATOM 2463 N ILE A 646 107.127 -25.443 10.292 1.00 24.19 N ATOM 2464 CA ILE A 646 108.244 -24.510 10.211 1.00 27.69 C ATOM 2465 C ILE A 646 108.905 -24.601 8.845 1.00 26.03 C ATOM 2466 O ILE A 646 109.216 -23.580 8.218 1.00 23.48 O ATOM 2467 CB ILE A 646 109.254 -24.774 11.340 1.00 21.32 C ATOM 2468 CG1 ILE A 646 108.656 -24.397 12.699 1.00 25.49 C ATOM 2469 CG2 ILE A 646 110.527 -23.981 11.111 1.00 24.38 C ATOM 2470 CD1 ILE A 646 109.326 -25.104 13.865 1.00 29.37 C ATOM 2471 H ILE A 646 107.188 -26.264 10.927 1.00 0.00 H ATOM 2472 N LEU A 647 109.110 -25.821 8.353 1.00 19.53 N ATOM 2473 CA LEU A 647 109.701 -25.988 7.025 1.00 19.38 C ATOM 2474 C LEU A 647 108.878 -25.271 5.964 1.00 19.47 C ATOM 2475 O LEU A 647 109.427 -24.557 5.120 1.00 26.63 O ATOM 2476 CB LEU A 647 109.838 -27.473 6.686 1.00 21.69 C ATOM 2477 CG LEU A 647 110.949 -28.212 7.445 1.00 26.73 C ATOM 2478 CD1 LEU A 647 110.848 -29.728 7.278 1.00 19.37 C ATOM 2479 CD2 LEU A 647 112.339 -27.735 7.004 1.00 22.18 C ATOM 2480 H LEU A 647 108.849 -26.657 8.914 1.00 0.00 H ATOM 2481 N LEU A 648 107.554 -25.445 5.996 1.00 21.96 N ATOM 2482 CA LEU A 648 106.687 -24.760 5.036 1.00 24.34 C ATOM 2483 C LEU A 648 106.864 -23.249 5.113 1.00 25.06 C ATOM 2484 O LEU A 648 106.895 -22.561 4.085 1.00 21.10 O ATOM 2485 CB LEU A 648 105.231 -25.126 5.304 1.00 18.41 C ATOM 2486 CG LEU A 648 104.191 -24.645 4.287 1.00 28.37 C ATOM 2487 CD1 LEU A 648 104.536 -25.126 2.882 1.00 22.90 C ATOM 2488 CD2 LEU A 648 102.784 -25.102 4.701 1.00 21.36 C ATOM 2489 H LEU A 648 107.135 -26.074 6.710 1.00 0.00 H ATOM 2490 N SER A 649 106.941 -22.719 6.333 1.00 29.59 N ATOM 2491 CA SER A 649 107.186 -21.298 6.535 1.00 22.03 C ATOM 2492 C SER A 649 108.524 -20.881 5.933 1.00 22.73 C ATOM 2493 O SER A 649 108.620 -19.835 5.278 1.00 25.25 O ATOM 2494 CB SER A 649 107.137 -20.992 8.033 1.00 24.98 C ATOM 2495 OG SER A 649 107.088 -19.604 8.275 1.00 46.61 O ATOM 2496 HG SER A 649 106.278 -19.225 7.850 1.00 0.00 H ATOM 2497 H SER A 649 106.823 -23.336 7.162 1.00 0.00 H ATOM 2498 N ASN A 650 109.567 -21.688 6.148 1.00 27.57 N ATOM 2499 CA ASN A 650 110.880 -21.395 5.577 1.00 21.63 C ATOM 2500 C ASN A 650 110.822 -21.307 4.055 1.00 24.15 C ATOM 2501 O ASN A 650 111.463 -20.437 3.447 1.00 20.27 O ATOM 2502 CB ASN A 650 111.883 -22.476 5.981 1.00 18.91 C ATOM 2503 CG ASN A 650 112.204 -22.488 7.468 1.00 31.89 C ATOM 2504 OD1 ASN A 650 112.603 -23.522 7.997 1.00 42.08 O ATOM 2505 ND2 ASN A 650 112.053 -21.351 8.140 1.00 24.74 N ATOM 2506 HD22 ASN A 650 111.712 -20.499 7.651 1.00 0.00 H ATOM 2507 HD21 ASN A 650 112.276 -21.313 9.155 1.00 0.00 H ATOM 2508 H ASN A 650 109.442 -22.540 6.732 1.00 0.00 H ATOM 2509 N ILE A 651 110.085 -22.226 3.425 1.00 15.63 N ATOM 2510 CA ILE A 651 110.030 -22.301 1.972 1.00 15.64 C ATOM 2511 C ILE A 651 109.232 -21.135 1.424 1.00 23.14 C ATOM 2512 O ILE A 651 109.597 -20.533 0.407 1.00 22.99 O ATOM 2513 CB ILE A 651 109.435 -23.656 1.541 1.00 22.39 C ATOM 2514 CG1 ILE A 651 110.446 -24.767 1.818 1.00 18.22 C ATOM 2515 CG2 ILE A 651 109.074 -23.663 0.068 1.00 15.34 C ATOM 2516 CD1 ILE A 651 109.852 -26.141 1.761 1.00 24.14 C ATOM 2517 H ILE A 651 109.536 -22.906 3.988 1.00 0.00 H ATOM 2518 N LEU A 652 108.141 -20.784 2.101 1.00 23.31 N ATOM 2519 CA LEU A 652 107.386 -19.599 1.718 1.00 26.14 C ATOM 2520 C LEU A 652 108.241 -18.348 1.843 1.00 24.50 C ATOM 2521 O LEU A 652 108.213 -17.478 0.961 1.00 24.23 O ATOM 2522 CB LEU A 652 106.127 -19.495 2.575 1.00 28.51 C ATOM 2523 CG LEU A 652 105.044 -20.550 2.295 1.00 41.19 C ATOM 2524 CD1 LEU A 652 103.979 -20.563 3.382 1.00 47.30 C ATOM 2525 CD2 LEU A 652 104.394 -20.300 0.954 1.00 40.19 C ATOM 2526 H LEU A 652 107.826 -21.359 2.908 1.00 0.00 H ATOM 2527 N ASP A 653 109.020 -18.246 2.925 1.00 24.80 N ATOM 2528 CA ASP A 653 109.895 -17.091 3.108 1.00 25.24 C ATOM 2529 C ASP A 653 110.875 -16.963 1.957 1.00 27.16 C ATOM 2530 O ASP A 653 111.147 -15.855 1.486 1.00 25.04 O ATOM 2531 CB ASP A 653 110.667 -17.197 4.422 1.00 27.92 C ATOM 2532 CG ASP A 653 109.816 -16.899 5.631 1.00 38.15 C ATOM 2533 OD1 ASP A 653 108.680 -16.412 5.459 1.00 42.92 O ATOM 2534 OD2 ASP A 653 110.291 -17.160 6.760 1.00 42.77 O ATOM 2535 H ASP A 653 109.003 -18.997 3.644 1.00 0.00 H ATOM 2536 N VAL A 654 111.420 -18.088 1.493 1.00 26.51 N ATOM 2537 CA VAL A 654 112.333 -18.054 0.355 1.00 20.09 C ATOM 2538 C VAL A 654 111.599 -17.601 -0.899 1.00 32.62 C ATOM 2539 O VAL A 654 112.142 -16.844 -1.714 1.00 22.87 O ATOM 2540 CB VAL A 654 112.993 -19.430 0.172 1.00 30.25 C ATOM 2541 CG1 VAL A 654 113.785 -19.488 -1.139 1.00 27.63 C ATOM 2542 CG2 VAL A 654 113.901 -19.723 1.359 1.00 29.50 C ATOM 2543 H VAL A 654 111.193 -18.996 1.945 1.00 0.00 H ATOM 2544 N MET A 655 110.353 -18.041 -1.071 1.00 29.58 N ATOM 2545 CA MET A 655 109.579 -17.622 -2.237 1.00 28.66 C ATOM 2546 C MET A 655 109.317 -16.126 -2.215 1.00 29.08 C ATOM 2547 O MET A 655 109.485 -15.443 -3.230 1.00 38.38 O ATOM 2548 CB MET A 655 108.263 -18.382 -2.289 1.00 40.77 C ATOM 2549 CG MET A 655 108.413 -19.823 -2.673 1.00 42.94 C ATOM 2550 SD MET A 655 106.804 -20.568 -2.950 1.00 50.74 S ATOM 2551 CE MET A 655 107.314 -22.063 -3.797 1.00 94.08 C ATOM 2552 H MET A 655 109.930 -18.685 -0.373 1.00 0.00 H ATOM 2553 N ASP A 656 108.877 -15.603 -1.066 1.00 46.15 N ATOM 2554 CA ASP A 656 108.657 -14.165 -0.932 1.00 56.43 C ATOM 2555 C ASP A 656 109.893 -13.377 -1.340 1.00 46.19 C ATOM 2556 O ASP A 656 109.790 -12.332 -1.992 1.00 42.24 O ATOM 2557 CB ASP A 656 108.278 -13.817 0.511 1.00 74.24 C ATOM 2558 CG ASP A 656 107.001 -14.490 0.965 1.00 65.36 C ATOM 2559 OD1 ASP A 656 106.155 -14.820 0.104 1.00 41.29 O ATOM 2560 OD2 ASP A 656 106.844 -14.676 2.191 1.00 64.92 O ATOM 2561 H ASP A 656 108.689 -16.228 -0.257 1.00 0.00 H ATOM 2562 N GLU A 657 111.074 -13.861 -0.960 1.00 38.24 N ATOM 2563 CA GLU A 657 112.298 -13.098 -1.183 1.00 40.27 C ATOM 2564 C GLU A 657 112.689 -13.060 -2.655 1.00 49.89 C ATOM 2565 O GLU A 657 113.242 -12.058 -3.119 1.00 86.85 O ATOM 2566 CB GLU A 657 113.435 -13.691 -0.345 1.00 56.19 C ATOM 2567 CG GLU A 657 113.223 -13.602 1.161 1.00 86.16 C ATOM 2568 CD GLU A 657 114.250 -14.401 1.941 1.00 95.44 C ATOM 2569 OE1 GLU A 657 115.405 -14.497 1.471 1.00 99.78 O ATOM 2570 OE2 GLU A 657 113.902 -14.938 3.016 1.00 87.71 O ATOM 2571 H GLU A 657 111.125 -14.792 -0.500 1.00 0.00 H ATOM 2572 N ASN A 658 112.409 -14.122 -3.402 1.00 71.18 N ATOM 2573 CA ASN A 658 112.821 -14.199 -4.801 1.00 74.00 C ATOM 2574 C ASN A 658 112.003 -13.260 -5.696 1.00 50.30 C ATOM 2575 O ASN A 658 110.776 -13.189 -5.594 1.00 46.70 O ATOM 2576 CB ASN A 658 112.710 -15.643 -5.301 1.00 80.49 C ATOM 2577 CG ASN A 658 113.726 -16.572 -4.641 1.00 68.84 C ATOM 2578 OD1 ASN A 658 114.716 -16.119 -4.065 1.00 51.02 O ATOM 2579 ND2 ASN A 658 113.488 -17.877 -4.733 1.00 65.59 N ATOM 2580 HD22 ASN A 658 112.639 -18.217 -5.229 1.00 0.00 H ATOM 2581 HD21 ASN A 658 114.151 -18.558 -4.309 1.00 0.00 H ATOM 2582 H ASN A 658 111.885 -14.916 -2.982 1.00 0.00 H TER 2583 ASN A 658 HETATM 2584 O HOH 1 105.065 -44.799 -4.310 1.00 25.06 O HETATM 2585 O HOH 2 122.258 -32.807 -10.821 1.00 28.32 O HETATM 2586 O HOH 3 114.059 -25.038 9.274 1.00 28.84 O HETATM 2587 O HOH 4 110.186 -19.101 8.284 1.00 36.47 O HETATM 2588 O HOH 5 101.641 -54.081 -14.345 1.00 22.80 O HETATM 2589 O HOH 6 118.309 -25.986 12.425 1.00 36.55 O HETATM 2590 O HOH 7 106.716 -29.925 -11.785 1.00 28.25 O HETATM 2591 O HOH 8 114.924 -36.556 -21.285 1.00 31.97 O HETATM 2592 O HOH 9 84.480 -54.981 -2.874 1.00 39.25 O HETATM 2593 O HOH 10 98.931 -45.754 -1.714 1.00 42.25 O HETATM 2594 O HOH 11 80.687 -56.697 -7.216 1.00 37.43 O HETATM 2595 O HOH 12 120.156 -25.607 8.636 1.00 32.11 O HETATM 2596 O HOH 13 100.373 -58.578 -7.650 1.00 28.28 O HETATM 2597 O HOH 14 92.535 -39.938 -10.325 1.00 31.69 O HETATM 2598 O HOH 15 128.069 -30.786 6.473 1.00 37.63 O HETATM 2599 O HOH 16 123.116 -40.619 -9.207 1.00 34.28 O HETATM 2600 O HOH 17 113.735 -41.778 -4.344 1.00 16.93 O HETATM 2601 O HOH 18 112.706 -40.562 14.932 1.00 22.68 O HETATM 2602 O HOH 19 109.873 -41.912 9.168 1.00 18.26 O HETATM 2603 O HOH 20 94.848 -35.532 -4.139 1.00 18.00 O HETATM 2604 O HOH 21 105.124 -28.831 -8.731 1.00 23.29 O HETATM 2605 O HOH 22 121.979 -29.228 -8.875 1.00 25.42 O HETATM 2606 O HOH 23 85.052 -48.295 -15.126 1.00 23.86 O HETATM 2607 O HOH 24 108.560 -29.587 -18.609 1.00 57.72 O HETATM 2608 O HOH 25 120.289 -40.033 4.801 1.00 15.88 O HETATM 2609 O HOH 26 110.870 -47.602 -1.033 1.00 24.73 O HETATM 2610 O HOH 27 127.608 -29.711 3.710 1.00 43.06 O HETATM 2611 O HOH 28 117.214 -35.599 -18.856 1.00 43.21 O HETATM 2612 O HOH 29 112.403 -57.531 9.453 1.00 31.25 O HETATM 2613 O HOH 30 103.706 -23.090 7.970 1.00 28.04 O HETATM 2614 O HOH 31 105.949 -44.595 -6.765 1.00 20.07 O HETATM 2615 O HOH 32 86.088 -64.471 -7.888 1.00 54.02 O HETATM 2616 O HOH 33 120.752 -42.108 6.214 1.00 23.03 O HETATM 2617 O HOH 34 99.319 -60.277 0.849 1.00 28.06 O HETATM 2618 O HOH 35 96.137 -36.778 -12.075 1.00 37.75 O HETATM 2619 O HOH 36 119.225 -39.391 16.724 1.00 29.77 O HETATM 2620 O HOH 37 122.229 -42.886 20.565 1.00 31.78 O HETATM 2621 O HOH 38 99.344 -28.438 4.756 1.00 29.24 O HETATM 2622 O HOH 39 102.381 -44.781 9.304 1.00 34.91 O HETATM 2623 O HOH 40 99.478 -61.982 3.473 1.00 40.87 O HETATM 2624 O HOH 41 88.460 -54.175 -16.964 1.00 40.98 O HETATM 2625 O HOH 42 115.223 -22.352 -5.236 1.00 27.98 O HETATM 2626 O HOH 43 107.011 -58.387 -4.905 1.00 33.23 O HETATM 2627 O HOH 44 117.882 -49.956 -0.231 1.00 30.54 O HETATM 2628 O HOH 45 102.165 -26.838 -7.264 1.00 22.01 O HETATM 2629 O HOH 46 105.875 -56.842 0.132 1.00 36.68 O HETATM 2630 O HOH 47 94.055 -40.932 1.166 1.00 25.03 O HETATM 2631 O HOH 48 105.716 -26.011 14.451 1.00 22.83 O HETATM 2632 O HOH 49 91.193 -33.842 6.920 1.00 38.25 O HETATM 2633 O HOH 50 112.384 -43.169 2.581 1.00 18.51 O HETATM 2634 O HOH 51 99.082 -43.110 -2.163 1.00 26.47 O HETATM 2635 O HOH 52 85.699 -64.642 -1.836 1.00 34.25 O HETATM 2636 O HOH 53 95.839 -60.037 -1.725 1.00 26.95 O HETATM 2637 O HOH 54 105.077 -46.057 3.655 1.00 15.63 O HETATM 2638 O HOH 55 108.180 -40.579 -14.001 1.00 20.95 O HETATM 2639 O HOH 56 117.462 -40.687 -5.758 1.00 17.91 O HETATM 2640 O HOH 57 98.989 -44.639 1.371 1.00 28.52 O HETATM 2641 O HOH 58 112.683 -57.530 -5.165 1.00 46.54 O HETATM 2642 O HOH 59 110.278 -61.911 3.768 1.00 40.51 O HETATM 2643 O HOH 60 100.246 -24.415 -2.636 1.00 38.44 O HETATM 2644 O HOH 61 104.466 -37.247 9.141 1.00 31.05 O HETATM 2645 O HOH 62 106.327 -17.709 6.174 1.00 34.70 O HETATM 2646 O HOH 63 101.465 -30.035 11.271 1.00 36.54 O HETATM 2647 O HOH 64 107.471 -62.456 -7.924 1.00 48.60 O HETATM 2648 O HOH 65 110.586 -51.539 -2.084 1.00 35.64 O HETATM 2649 O HOH 66 82.642 -48.650 -6.478 1.00 26.53 O HETATM 2650 O HOH 67 115.598 -53.689 11.378 1.00 34.38 O HETATM 2651 O HOH 68 117.914 -22.403 -5.583 1.00 23.80 O HETATM 2652 O HOH 69 100.513 -54.236 -6.125 1.00 16.07 O HETATM 2653 O HOH 70 109.253 -20.970 -6.259 1.00 37.41 O HETATM 2654 O HOH 71 99.209 -47.080 -6.890 1.00 33.29 O HETATM 2655 O HOH 72 121.730 -29.998 10.742 1.00 32.84 O HETATM 2656 O HOH 73 125.969 -38.351 -2.653 1.00 32.93 O HETATM 2657 O HOH 74 125.486 -46.486 -5.234 1.00 39.03 O HETATM 2658 O HOH 75 122.523 -35.817 4.510 1.00 22.47 O HETATM 2659 O HOH 76 92.538 -40.065 9.289 1.00 35.23 O HETATM 2660 O HOH 77 96.201 -34.866 -9.631 1.00 18.19 O HETATM 2661 O HOH 78 99.543 -44.540 -5.253 1.00 29.75 O HETATM 2662 O HOH 79 107.204 -48.116 -6.513 1.00 31.48 O HETATM 2663 O HOH 80 112.745 -49.597 -1.205 1.00 34.95 O HETATM 2664 O HOH 81 117.678 -27.528 -14.977 1.00 34.13 O HETATM 2665 O HOH 82 109.081 -58.913 6.645 1.00 30.45 O HETATM 2666 O HOH 83 109.901 -41.232 5.676 1.00 15.98 O HETATM 2667 O HOH 84 91.317 -31.921 8.170 1.00 50.57 O HETATM 2668 O HOH 85 102.837 -52.623 -5.418 1.00 18.89 O HETATM 2669 O HOH 86 113.011 -45.346 7.358 1.00 36.91 O HETATM 2670 O HOH 87 89.936 -55.038 -18.980 1.00 42.86 O HETATM 2671 O HOH 88 102.667 -33.740 -18.769 1.00 28.30 O HETATM 2672 O HOH 89 124.728 -37.931 13.091 1.00 33.07 O HETATM 2673 O HOH 90 115.042 -44.283 -4.968 1.00 14.46 O HETATM 2674 O HOH 91 122.145 -47.161 22.545 1.00 24.65 O HETATM 2675 O HOH 92 109.446 -29.963 17.268 1.00 29.71 O HETATM 2676 O HOH 93 100.307 -46.707 8.597 1.00 44.74 O HETATM 2677 O HOH 94 103.276 -26.848 -11.910 1.00 27.79 O HETATM 2678 O HOH 95 105.848 -38.376 16.015 1.00 32.55 O HETATM 2679 O HOH 96 107.746 -32.775 13.643 1.00 24.21 O HETATM 2680 O HOH 97 84.730 -34.870 -17.242 1.00 50.65 O HETATM 2681 O HOH 98 105.739 -44.263 -11.861 1.00 24.51 O HETATM 2682 O HOH 99 108.781 -46.910 -4.947 1.00 15.42 O HETATM 2683 O HOH 100 107.808 -52.677 -13.148 1.00 41.79 O HETATM 2684 O HOH 101 129.217 -25.453 -1.751 1.00 37.86 O HETATM 2685 O HOH 102 118.828 -41.980 -9.575 1.00 41.90 O HETATM 2686 O HOH 103 113.375 -19.728 -11.281 1.00 34.65 O HETATM 2687 O HOH 104 116.529 -21.157 -12.781 1.00 27.84 O HETATM 2688 O HOH 105 94.270 -29.473 0.126 1.00 29.31 O HETATM 2689 O HOH 106 97.917 -60.033 8.497 1.00 40.61 O HETATM 2690 O HOH 107 106.857 -58.476 -2.787 1.00 42.51 O HETATM 2691 O HOH 108 98.832 -62.973 -5.687 1.00 45.57 O HETATM 2692 O HOH 109 118.935 -46.771 0.692 1.00 16.12 O HETATM 2693 O HOH 110 99.472 -52.633 -20.870 1.00 26.11 O HETATM 2694 O HOH 111 107.738 -50.267 -4.492 1.00 28.59 O HETATM 2695 O HOH 112 90.955 -52.441 16.511 1.00 32.29 O HETATM 2696 O HOH 113 115.201 -39.994 -22.434 1.00 40.23 O HETATM 2697 O HOH 114 85.865 -57.367 -3.507 1.00 24.96 O HETATM 2698 O HOH 115 112.131 -42.024 7.353 1.00 41.83 O HETATM 2699 O HOH 116 90.551 -38.674 -14.147 1.00 30.32 O HETATM 2700 O HOH 117 93.567 -38.209 -11.403 1.00 32.65 O HETATM 2701 O HOH 118 107.029 -27.055 -10.011 1.00 30.01 O HETATM 2702 O HOH 119 107.813 -43.093 -14.466 1.00 11.06 O HETATM 2703 O HOH 120 128.571 -28.834 -0.138 1.00 23.54 O HETATM 2704 O HOH 121 98.255 -61.576 5.353 1.00 39.57 O HETATM 2705 O HOH 122 135.575 -44.825 5.740 1.00 63.26 O HETATM 2706 O HOH 123 117.657 -38.601 18.306 1.00 39.07 O HETATM 2707 O HOH 124 110.472 -47.901 6.446 1.00 38.45 O HETATM 2708 O HOH 125 113.114 -21.480 11.105 1.00 32.32 O HETATM 2709 O HOH 126 79.953 -48.493 -13.517 1.00 50.72 O HETATM 2710 O HOH 127 97.384 -36.671 -13.982 1.00 20.24 O HETATM 2711 O HOH 128 81.942 -48.587 1.562 1.00 45.07 O HETATM 2712 O HOH 129 112.394 -43.220 5.511 1.00 25.11 O HETATM 2713 O HOH 130 124.036 -32.167 10.873 1.00 44.54 O HETATM 2714 O HOH 131 111.044 -31.244 18.719 1.00 33.07 O HETATM 2715 O HOH 132 101.352 -43.487 11.837 1.00 38.90 O HETATM 2716 O HOH 133 124.324 -40.378 14.941 1.00 37.36 O HETATM 2717 O HOH 134 98.632 -44.697 -19.334 1.00 38.17 O HETATM 2718 O HOH 135 120.967 -17.818 -0.705 1.00 15.94 O HETATM 2719 O HOH 136 135.434 -46.172 10.473 1.00 41.40 O HETATM 2720 O HOH 137 116.311 -47.897 -0.571 1.00 31.95 O HETATM 2721 O HOH 138 96.880 -28.719 5.714 1.00 37.82 O HETATM 2722 O HOH 139 110.774 -50.445 6.618 1.00 37.25 O HETATM 2723 O HOH 140 112.777 -44.925 -10.291 1.00 38.43 O HETATM 2724 O HOH 141 112.451 -35.908 19.211 1.00 39.15 O HETATM 2725 O HOH 142 121.971 -16.807 1.617 1.00 49.06 O HETATM 2726 O HOH 143 89.951 -41.220 -21.340 1.00 71.93 O HETATM 2727 O HOH 144 103.106 -36.610 13.939 1.00 40.78 O HETATM 2728 O HOH 145 123.082 -21.285 -6.747 1.00 40.07 O HETATM 2729 O HOH 146 109.771 -39.794 -19.171 1.00 64.65 O HETATM 2730 O HOH 147 124.398 -46.917 11.938 1.00 50.15 O HETATM 2731 O HOH 148 103.628 -21.102 6.400 1.00 36.90 O HETATM 2732 O HOH 149 105.257 -50.626 12.010 1.00 40.66 O HETATM 2733 O HOH 150 116.235 -23.257 8.813 1.00 42.58 O HETATM 2734 O HOH 151 105.896 -45.396 -9.341 1.00 31.45 O HETATM 2735 O HOH 152 115.870 -21.827 7.088 1.00 38.79 O HETATM 2736 O HOH 153 90.170 -63.392 5.439 1.00 50.65 O HETATM 2737 O HOH 154 107.171 -59.974 -1.396 1.00 38.28 O HETATM 2738 O HOH 155 120.762 -41.311 17.439 1.00 35.17 O HETATM 2739 O HOH 156 122.449 -29.187 -11.626 1.00 31.17 O HETATM 2740 O HOH 157 123.123 -40.743 17.321 1.00 38.94 O HETATM 2741 O HOH 158 127.670 -36.848 -0.090 1.00 25.26 O HETATM 2742 O HOH 159 104.638 -36.264 11.421 1.00 39.58 O HETATM 2743 O HOH 160 118.243 -19.370 -6.186 1.00 37.66 O HETATM 2744 O HOH 161 125.105 -20.369 -5.122 1.00 42.72 O HETATM 2745 O HOH 162 101.154 -45.576 -19.299 1.00 39.41 O HETATM 2746 O HOH 163 124.025 -41.877 19.560 1.00 35.89 O HETATM 2747 O HOH 164 117.607 -43.220 -5.581 1.00 20.43 O HETATM 2748 O HOH 165 87.053 -40.108 -7.100 1.00 38.79 O HETATM 2749 O HOH 166 110.838 -33.513 19.287 1.00 36.28 O HETATM 2750 O HOH 167 120.346 -27.175 -15.194 1.00 43.15 O HETATM 2751 O HOH 168 107.809 -51.633 -15.796 1.00 44.64 O HETATM 2752 O HOH 169 105.878 -24.570 -10.754 1.00 31.12 O HETATM 2753 O HOH 170 122.597 -18.389 -4.907 1.00 41.05 O HETATM 2754 O HOH 171 114.217 -45.918 -6.954 1.00 26.96 O HETATM 2755 C4 DTJ A 172 105.363 -50.041 0.853 1.00 -0.08 C HETATM 2756 C2 DTJ A 172 105.999 -48.972 -0.039 1.00 -0.04 C HETATM 2757 C5 DTJ A 172 105.379 -49.026 -1.415 1.00 -0.05 C HETATM 2758 C6 DTJ A 172 104.432 -49.998 -1.734 1.00 -0.04 C HETATM 2759 C7 DTJ A 172 103.873 -50.039 -3.010 1.00 -0.01 C HETATM 2760 C8 DTJ A 172 104.275 -49.123 -3.996 1.00 0.08 C HETATM 2761 C11 DTJ A 172 103.696 -49.157 -5.371 1.00 0.25 C HETATM 2762 O12 DTJ A 172 102.635 -49.746 -5.578 1.00 -0.36 O HETATM 2763 N13 DTJ A 172 104.369 -48.558 -6.386 1.00 -0.23 N HETATM 2764 C14 DTJ A 172 103.885 -48.503 -7.714 1.00 0.08 C HETATM 2765 C15 DTJ A 172 104.111 -49.503 -8.641 1.00 -0.04 C HETATM 2766 C16 DTJ A 172 103.620 -49.400 -9.927 1.00 -0.07 C HETATM 2767 C17 DTJ A 172 102.903 -48.286 -10.317 1.00 -0.06 C HETATM 2768 C18 DTJ A 172 102.687 -47.251 -9.407 1.00 0.02 C HETATM 2769 C19 DTJ A 172 103.163 -47.376 -8.094 1.00 0.03 C HETATM 2770 C20 DTJ A 172 102.976 -46.266 -7.086 1.00 0.08 C HETATM 2771 O21 DTJ A 172 101.977 -46.546 -6.119 1.00 -0.38 O HETATM 2772 H20 DTJ A 172 101.144 -46.679 -6.556 1.00 0.21 H HETATM 2773 H18 DTJ A 172 102.693 -45.350 -7.625 1.00 0.07 H HETATM 2774 H19 DTJ A 172 103.931 -46.104 -6.564 1.00 0.07 H HETATM 2775 C22 DTJ A 172 101.907 -46.065 -9.823 1.00 0.10 C HETATM 2776 C23 DTJ A 172 102.167 -45.406 -11.050 1.00 0.00 C HETATM 2777 C24 DTJ A 172 101.389 -44.329 -11.393 1.00 0.10 C HETATM 2778 C25 DTJ A 172 100.368 -43.891 -10.522 1.00 0.26 C HETATM 2779 O26 DTJ A 172 99.688 -42.914 -10.822 1.00 -0.37 O HETATM 2780 N27 DTJ A 172 100.166 -44.530 -9.364 1.00 -0.16 N HETATM 2781 N28 DTJ A 172 100.946 -45.643 -9.036 1.00 -0.20 N HETATM 2782 H22 DTJ A 172 100.762 -46.144 -8.155 1.00 0.22 H HETATM 2783 C29 DTJ A 172 99.124 -44.064 -8.455 1.00 0.05 C HETATM 2784 H23 DTJ A 172 98.626 -43.184 -8.888 1.00 0.05 H HETATM 2785 H24 DTJ A 172 99.575 -43.792 -7.489 1.00 0.05 H HETATM 2786 H25 DTJ A 172 98.385 -44.865 -8.302 1.00 0.05 H HETATM 2787 N30 DTJ A 172 101.519 -43.592 -12.567 1.00 -0.29 N HETATM 2788 C31 DTJ A 172 102.382 -43.796 -13.625 1.00 0.08 C HETATM 2789 C32 DTJ A 172 102.127 -43.011 -14.744 1.00 -0.02 C HETATM 2790 C33 DTJ A 172 102.926 -43.133 -15.835 1.00 -0.03 C HETATM 2791 C34 DTJ A 172 103.997 -44.039 -15.785 1.00 0.07 C HETATM 2792 C35 DTJ A 172 104.202 -44.811 -14.632 1.00 0.02 C HETATM 2793 N36 DTJ A 172 103.391 -44.663 -13.593 1.00 -0.29 N HETATM 2794 H28 DTJ A 172 105.018 -45.524 -14.590 1.00 0.09 H HETATM 2795 C37 DTJ A 172 104.860 -44.176 -16.969 1.00 0.21 C HETATM 2796 O38 DTJ A 172 105.050 -45.288 -17.407 1.00 -0.39 O HETATM 2797 N39 DTJ A 172 105.419 -43.101 -17.571 1.00 -0.27 N HETATM 2798 C40 DTJ A 172 105.231 -41.724 -17.076 1.00 0.06 C HETATM 2799 C41 DTJ A 172 106.093 -40.791 -17.931 1.00 0.07 C HETATM 2800 O42 DTJ A 172 105.688 -40.937 -19.293 1.00 -0.38 O HETATM 2801 C43 DTJ A 172 105.754 -42.270 -19.821 1.00 0.07 C HETATM 2802 C44 DTJ A 172 106.271 -43.255 -18.760 1.00 0.06 C HETATM 2803 H35 DTJ A 172 106.206 -44.285 -19.139 1.00 0.05 H HETATM 2804 H36 DTJ A 172 107.316 -43.022 -18.507 1.00 0.05 H HETATM 2805 H33 DTJ A 172 106.434 -42.282 -20.685 1.00 0.06 H HETATM 2806 H34 DTJ A 172 104.749 -42.581 -20.141 1.00 0.06 H HETATM 2807 H31 DTJ A 172 107.154 -41.063 -17.826 1.00 0.06 H HETATM 2808 H32 DTJ A 172 105.948 -39.749 -17.608 1.00 0.06 H HETATM 2809 H29 DTJ A 172 105.543 -41.660 -16.023 1.00 0.05 H HETATM 2810 H30 DTJ A 172 104.172 -41.438 -17.163 1.00 0.05 H HETATM 2811 H27 DTJ A 172 102.741 -42.543 -16.726 1.00 0.08 H HETATM 2812 H26 DTJ A 172 101.300 -42.310 -14.745 1.00 0.07 H HETATM 2813 H21 DTJ A 172 102.966 -45.747 -11.706 1.00 0.04 H HETATM 2814 H17 DTJ A 172 102.510 -48.216 -11.325 1.00 0.05 H HETATM 2815 H16 DTJ A 172 103.799 -50.200 -10.636 1.00 0.05 H HETATM 2816 H15 DTJ A 172 104.681 -50.379 -8.354 1.00 0.05 H HETATM 2817 H14 DTJ A 172 105.252 -48.134 -6.185 1.00 0.22 H HETATM 2818 C9 DTJ A 172 105.241 -48.154 -3.664 1.00 -0.01 C HETATM 2819 C10 DTJ A 172 105.782 -48.115 -2.385 1.00 -0.04 C HETATM 2820 H7 DTJ A 172 106.527 -47.366 -2.141 1.00 0.09 H HETATM 2821 H6 DTJ A 172 105.564 -47.436 -4.409 1.00 0.07 H HETATM 2822 H5 DTJ A 172 103.121 -50.784 -3.244 1.00 0.07 H HETATM 2823 H4 DTJ A 172 104.130 -50.724 -0.988 1.00 0.09 H HETATM 2824 C3 DTJ A 172 107.488 -49.291 -0.124 1.00 -0.08 C HETATM 2825 H8 DTJ A 172 107.987 -48.544 -0.759 1.00 0.01 H HETATM 2826 H9 DTJ A 172 107.624 -50.292 -0.559 1.00 0.01 H HETATM 2827 H10 DTJ A 172 107.926 -49.267 0.885 1.00 0.01 H HETATM 2828 C1 DTJ A 172 105.826 -47.584 0.585 1.00 -0.08 C HETATM 2829 H11 DTJ A 172 104.755 -47.343 0.651 1.00 0.01 H HETATM 2830 H12 DTJ A 172 106.332 -46.835 -0.041 1.00 0.01 H HETATM 2831 H13 DTJ A 172 106.266 -47.578 1.593 1.00 0.01 H HETATM 2832 H1 DTJ A 172 105.816 -50.000 1.855 1.00 0.01 H HETATM 2833 H2 DTJ A 172 105.534 -51.035 0.414 1.00 0.01 H HETATM 2834 H3 DTJ A 172 104.281 -49.857 0.932 1.00 0.01 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 823 824 831 832 833 CONECT 831 823 CONECT 832 823 CONECT 833 823 CONECT 2755 2756 2832 2833 2834 CONECT 2756 2755 2757 2824 2828 CONECT 2757 2756 2758 2819 CONECT 2758 2757 2759 2823 CONECT 2759 2758 2760 2822 CONECT 2760 2759 2761 2818 CONECT 2761 2760 2762 2763 CONECT 2762 2761 CONECT 2763 2761 2764 2817 CONECT 2764 2763 2765 2769 CONECT 2765 2764 2766 2816 CONECT 2766 2765 2767 2815 CONECT 2767 2766 2768 2814 CONECT 2768 2767 2769 2775 CONECT 2769 2764 2768 2770 CONECT 2770 2769 2771 2773 2774 CONECT 2771 2770 2772 CONECT 2772 2771 CONECT 2773 2770 CONECT 2774 2770 CONECT 2775 2768 2776 2781 CONECT 2776 2775 2777 2813 CONECT 2777 2776 2778 2787 CONECT 2778 2777 2779 2780 CONECT 2779 2778 CONECT 2780 2778 2781 2783 CONECT 2781 2775 2780 2782 CONECT 2782 2781 CONECT 2783 2780 2784 2785 2786 CONECT 2784 2783 CONECT 2785 2783 CONECT 2786 2783 CONECT 2787 2777 2788 CONECT 2788 2787 2789 2793 CONECT 2789 2788 2790 2812 CONECT 2790 2789 2791 2811 CONECT 2791 2790 2792 2795 CONECT 2792 2791 2793 2794 CONECT 2793 2788 2792 CONECT 2794 2792 CONECT 2795 2791 2796 2797 CONECT 2796 2795 CONECT 2797 2795 2798 2802 CONECT 2798 2797 2799 2809 2810 CONECT 2799 2798 2800 2807 2808 CONECT 2800 2799 2801 CONECT 2801 2800 2802 2805 2806 CONECT 2802 2797 2801 2803 2804 CONECT 2803 2802 CONECT 2804 2802 CONECT 2805 2801 CONECT 2806 2801 CONECT 2807 2799 CONECT 2808 2799 CONECT 2809 2798 CONECT 2810 2798 CONECT 2811 2790 CONECT 2812 2789 CONECT 2813 2776 CONECT 2814 2767 CONECT 2815 2766 CONECT 2816 2765 CONECT 2817 2763 CONECT 2818 2760 2819 2821 CONECT 2819 2757 2818 2820 CONECT 2820 2819 CONECT 2821 2818 CONECT 2822 2759 CONECT 2823 2758 CONECT 2824 2756 2825 2826 2827 CONECT 2825 2824 CONECT 2826 2824 CONECT 2827 2824 CONECT 2828 2756 2829 2830 2831 CONECT 2829 2828 CONECT 2830 2828 CONECT 2831 2828 CONECT 2832 2755 CONECT 2833 2755 CONECT 2834 2755 MASTER 0 0 0 0 0 0 0 0 2832 2 88 21 END
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RCSB PDB
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283aa, >4RFZ_1|Chain... at 95%
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RCSB PDB
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RCSB PDB
PDBbind
271aa, >5FBN_1|Chains... at 100%
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RCSB PDB
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5j87
RCSB PDB
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RCSB PDB
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5xyz
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PDBbind
271aa, >6DI0_1|Chain... at 100%
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268aa, >6NFI_1|Chain... at 100%
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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
6bik
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tyrosine-protein kinase BTK
Ligand Name
DTJ
EC.Number
E.C.2.7.10.2
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
IC50=6.4nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J. Comput. Aided Mol. Des. Vol. 33: pp. 307-330
Ligand Properties
Formula
C
3
3
H
3
6
N
6
O
5
Molecular Weight
596.676
Exact Mass
596.275
No. of atoms
80
No. of bonds
84
Polar Surface Area
141.91
LOGP Value
3.79 (
Computed with XLOGP3
)
3.53 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 5
Canonical SMILES
OCc1c(cccc1c1c/c(=N\c2ccc(cn2)C(=O)N2CCOCC2)/c(=O)n([nH]1)C)NC(=O)c1ccc(cc1)C(C)(C)C
InChI String
InChI=1S/C33H36N6O5/c1-33(2,3)23-11-8-21(9-12-23)30(41)36-26-7-5-6-24(25(26)20-40)27-18-28(32(43)38(4)37-27)35-29-13-10-22(19-34-29)31(42)39-14-16-44-17-15-39/h5-13,18-19,37,40H,14-17,20H2,1-4H3,(H,36,41)/b35-28+
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):
Q06187
Entrez Gene ID
NCBI Entrez Gene ID:
695
ASD
Information of known allosteric effects of PDB entries
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