Browse entries in the PDBbind-CN Database
HEADER 4CKR_COMPLEX COMPND 4CKR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 MET PRO ARG VAL ASP PHE PRO ARG SER ARG LEU ARG PHE SEQRES 2 A 121 LYS GLU LYS LEU GLY GLU GLY GLN PHE GLY GLU VAL HIS SEQRES 3 A 121 LEU CYS GLU VAL ASP SER PRO GLN ASP LEU VAL SER LEU SEQRES 4 A 121 ASP PHE PRO LEU ASN VAL ARG LYS GLY HIS PRO LEU LEU SEQRES 5 A 121 VAL ALA VAL LYS ILE LEU ARG PRO ASP ALA THR LYS ASN SEQRES 6 A 121 ALA ARG ASN ASP PHE LEU LYS GLU VAL LYS ILE MET SER SEQRES 7 A 121 ARG LEU LYS ASP PRO ASN ILE ILE ARG LEU LEU GLY VAL SEQRES 8 A 121 CYS VAL GLN ASP ASP PRO LEU CYS MET ILE THR ASP TYR SEQRES 9 A 121 MET GLU ASN GLY ASP LEU ASN GLN PHE LEU SER ALA HIS SEQRES 10 A 121 GLN LEU GLU ASP SEQRES 1 A 64 PRO THR ILE SER TYR PRO MET LEU LEU HIS VAL ALA ALA SEQRES 2 A 64 GLN ILE ALA SER GLY MET ARG TYR LEU ALA THR LEU ASN SEQRES 3 A 64 PHE VAL HIS ARG ASP LEU ALA THR ARG ASN CYS LEU VAL SEQRES 4 A 64 GLY GLU ASN PHE THR ILE LYS ILE ALA ASP PHE GLY MET SEQRES 5 A 64 SER ARG ASN LEU TYR ALA GLY ASP TYR TYR ARG VAL SEQRES 1 A 110 VAL LEU PRO ILE ARG TRP MET ALA TRP GLU CYS ILE LEU SEQRES 2 A 110 MET GLY LYS PHE THR THR ALA SER ASP VAL TRP ALA PHE SEQRES 3 A 110 GLY VAL THR LEU TRP GLU VAL LEU MET LEU CYS ARG ALA SEQRES 4 A 110 GLN PRO PHE GLY GLN LEU THR ASP GLU GLN VAL ILE GLU SEQRES 5 A 110 ASN ALA GLY GLU PHE PHE ARG ASP GLN GLY ARG GLN VAL SEQRES 6 A 110 TYR LEU SER ARG PRO PRO ALA CYS PRO GLN GLY LEU TYR SEQRES 7 A 110 GLU LEU MET LEU ARG CYS TRP SER ARG GLU SER GLU GLN SEQRES 8 A 110 ARG PRO PRO PHE SER GLN LEU HIS ARG PHE LEU ALA GLU SEQRES 9 A 110 ASP ALA LEU ASN THR VAL HET DI A 1 73 ATOM 1 N MET A 600 3.037 46.006 22.964 1.00 74.50 N ATOM 2 CA MET A 600 4.397 46.238 22.406 1.00 71.11 C ATOM 3 C MET A 600 5.424 45.994 23.501 1.00 69.44 C ATOM 4 O MET A 600 5.299 46.552 24.584 1.00 72.58 O ATOM 5 CB MET A 600 4.546 47.675 21.886 1.00 72.28 C ATOM 6 HN3 MET A 600 2.872 46.661 23.755 1.00 0.00 H ATOM 7 HN2 MET A 600 2.965 45.025 23.303 1.00 0.00 H ATOM 8 HN1 MET A 600 2.327 46.170 22.222 1.00 0.00 H ATOM 9 N PRO A 601 6.427 45.142 23.230 1.00 64.69 N ATOM 10 CA PRO A 601 7.597 45.009 24.104 1.00 64.07 C ATOM 11 C PRO A 601 8.295 46.352 24.317 1.00 63.32 C ATOM 12 O PRO A 601 8.302 47.191 23.416 1.00 61.36 O ATOM 13 CB PRO A 601 8.525 44.067 23.320 1.00 60.03 C ATOM 14 CG PRO A 601 7.631 43.317 22.391 1.00 58.50 C ATOM 15 CD PRO A 601 6.462 44.202 22.093 1.00 61.53 C ATOM 16 N ARG A 602 8.868 46.549 25.498 1.00 64.59 N ATOM 17 CA ARG A 602 9.599 47.784 25.797 1.00 66.60 C ATOM 18 C ARG A 602 10.788 47.980 24.852 1.00 63.13 C ATOM 19 O ARG A 602 11.043 49.080 24.393 1.00 63.73 O ATOM 20 CB ARG A 602 10.085 47.788 27.251 1.00 68.08 C ATOM 21 H ARG A 602 8.797 45.811 26.227 1.00 0.00 H ATOM 22 N VAL A 603 11.470 46.890 24.526 1.00 60.34 N ATOM 23 CA VAL A 603 12.778 46.940 23.888 1.00 58.92 C ATOM 24 C VAL A 603 12.789 46.064 22.635 1.00 54.22 C ATOM 25 O VAL A 603 12.174 44.999 22.609 1.00 50.82 O ATOM 26 CB VAL A 603 13.864 46.478 24.888 1.00 61.88 C ATOM 27 CG1 VAL A 603 13.432 45.205 25.617 1.00 63.86 C ATOM 28 CG2 VAL A 603 15.204 46.251 24.202 1.00 61.99 C ATOM 29 H VAL A 603 11.053 45.960 24.735 1.00 0.00 H ATOM 30 N ASP A 604 13.471 46.523 21.593 1.00 51.23 N ATOM 31 CA ASP A 604 13.642 45.733 20.389 1.00 48.22 C ATOM 32 C ASP A 604 14.619 44.594 20.658 1.00 46.77 C ATOM 33 O ASP A 604 15.573 44.735 21.411 1.00 47.24 O ATOM 34 CB ASP A 604 14.231 46.574 19.254 1.00 49.96 C ATOM 35 CG ASP A 604 13.195 47.376 18.492 1.00 50.19 C ATOM 36 OD1 ASP A 604 11.978 47.176 18.677 1.00 52.13 O ATOM 37 OD2 ASP A 604 13.613 48.204 17.663 1.00 51.23 O ATOM 38 H ASP A 604 13.893 47.472 21.641 1.00 0.00 H ATOM 39 N PHE A 605 14.341 43.454 20.060 1.00 45.22 N ATOM 40 CA PHE A 605 15.335 42.437 19.848 1.00 43.96 C ATOM 41 C PHE A 605 16.390 43.084 18.948 1.00 43.83 C ATOM 42 O PHE A 605 16.040 43.815 18.043 1.00 43.71 O ATOM 43 CB PHE A 605 14.688 41.241 19.164 1.00 43.04 C ATOM 44 CG PHE A 605 15.566 40.029 19.101 1.00 44.30 C ATOM 45 CD1 PHE A 605 16.514 39.897 18.097 1.00 43.58 C ATOM 46 CD2 PHE A 605 15.421 38.999 20.018 1.00 47.26 C ATOM 47 CE1 PHE A 605 17.332 38.779 18.026 1.00 43.53 C ATOM 48 CE2 PHE A 605 16.221 37.865 19.941 1.00 48.39 C ATOM 49 CZ PHE A 605 17.187 37.762 18.948 1.00 45.78 C ATOM 50 H PHE A 605 13.370 43.284 19.730 1.00 0.00 H ATOM 51 N PRO A 606 17.683 42.852 19.215 1.00 44.71 N ATOM 52 CA PRO A 606 18.757 43.506 18.438 1.00 45.20 C ATOM 53 C PRO A 606 19.017 42.822 17.087 1.00 43.96 C ATOM 54 O PRO A 606 19.447 41.652 17.053 1.00 43.95 O ATOM 55 CB PRO A 606 19.971 43.365 19.356 1.00 45.99 C ATOM 56 CG PRO A 606 19.703 42.102 20.120 1.00 45.75 C ATOM 57 CD PRO A 606 18.220 42.080 20.350 1.00 45.08 C ATOM 58 N ARG A 607 18.740 43.540 15.993 1.00 43.97 N ATOM 59 CA ARG A 607 18.909 43.008 14.626 1.00 44.25 C ATOM 60 C ARG A 607 20.314 42.550 14.371 1.00 41.63 C ATOM 61 O ARG A 607 20.522 41.695 13.539 1.00 41.74 O ATOM 62 CB ARG A 607 18.647 44.063 13.554 1.00 47.84 C ATOM 63 CG ARG A 607 17.268 44.654 13.501 1.00 52.24 C ATOM 64 CD ARG A 607 17.254 45.831 12.529 1.00 56.97 C ATOM 65 NE ARG A 607 16.184 46.780 12.845 1.00 61.32 N ATOM 66 CZ ARG A 607 14.974 46.785 12.287 1.00 61.80 C ATOM 67 NH1 ARG A 607 14.655 45.903 11.352 1.00 61.88 N ATOM 68 NH2 ARG A 607 14.077 47.693 12.658 1.00 64.10 N ATOM 69 HE ARG A 607 16.384 47.507 13.561 1.00 0.00 H ATOM 70 HH12 ARG A 607 13.707 45.918 10.925 1.00 0.00 H ATOM 71 HH11 ARG A 607 15.353 45.195 11.045 1.00 0.00 H ATOM 72 HH22 ARG A 607 13.132 47.698 12.223 1.00 0.00 H ATOM 73 HH21 ARG A 607 14.320 48.398 13.383 1.00 0.00 H ATOM 74 H ARG A 607 18.391 44.513 16.110 1.00 0.00 H ATOM 75 N SER A 608 21.290 43.155 15.046 1.00 40.69 N ATOM 76 CA SER A 608 22.693 42.822 14.823 1.00 40.63 C ATOM 77 C SER A 608 22.960 41.362 15.154 1.00 40.86 C ATOM 78 O SER A 608 23.887 40.777 14.618 1.00 40.77 O ATOM 79 CB SER A 608 23.628 43.744 15.626 1.00 41.87 C ATOM 80 OG SER A 608 23.426 43.581 17.023 1.00 41.64 O ATOM 81 HG SER A 608 24.038 44.183 17.516 1.00 0.00 H ATOM 82 H SER A 608 21.046 43.882 15.749 1.00 0.00 H ATOM 83 N ARG A 609 22.099 40.760 15.980 1.00 41.22 N ATOM 84 CA ARG A 609 22.243 39.363 16.362 1.00 42.84 C ATOM 85 C ARG A 609 21.615 38.339 15.420 1.00 42.24 C ATOM 86 O ARG A 609 21.756 37.128 15.637 1.00 43.18 O ATOM 87 CB ARG A 609 21.626 39.165 17.732 1.00 43.99 C ATOM 88 CG ARG A 609 22.301 39.988 18.808 1.00 46.36 C ATOM 89 CD ARG A 609 23.493 39.242 19.338 1.00 50.04 C ATOM 90 NE ARG A 609 23.973 39.832 20.582 1.00 52.67 N ATOM 91 CZ ARG A 609 24.790 39.225 21.435 1.00 53.16 C ATOM 92 NH1 ARG A 609 25.228 37.981 21.201 1.00 49.89 N ATOM 93 NH2 ARG A 609 25.169 39.871 22.535 1.00 55.28 N ATOM 94 HE ARG A 609 23.654 40.793 20.817 1.00 0.00 H ATOM 95 HH12 ARG A 609 25.868 37.519 21.878 1.00 0.00 H ATOM 96 HH11 ARG A 609 24.929 37.477 20.342 1.00 0.00 H ATOM 97 HH22 ARG A 609 25.808 39.411 23.214 1.00 0.00 H ATOM 98 HH21 ARG A 609 24.826 40.836 22.716 1.00 0.00 H ATOM 99 H ARG A 609 21.301 41.307 16.362 1.00 0.00 H ATOM 100 N LEU A 610 20.934 38.788 14.379 1.00 39.68 N ATOM 101 CA LEU A 610 20.234 37.841 13.508 1.00 37.85 C ATOM 102 C LEU A 610 21.136 37.497 12.349 1.00 38.18 C ATOM 103 O LEU A 610 21.475 38.357 11.552 1.00 39.26 O ATOM 104 CB LEU A 610 18.918 38.434 13.026 1.00 35.82 C ATOM 105 CG LEU A 610 17.952 38.797 14.147 1.00 36.31 C ATOM 106 CD1 LEU A 610 16.839 39.678 13.615 1.00 36.15 C ATOM 107 CD2 LEU A 610 17.370 37.541 14.803 1.00 38.34 C ATOM 108 H LEU A 610 20.896 39.808 14.180 1.00 0.00 H ATOM 109 N ARG A 611 21.553 36.239 12.292 1.00 40.61 N ATOM 110 CA ARG A 611 22.354 35.723 11.198 1.00 42.99 C ATOM 111 C ARG A 611 21.417 35.108 10.151 1.00 42.08 C ATOM 112 O ARG A 611 20.710 34.143 10.443 1.00 41.80 O ATOM 113 CB ARG A 611 23.354 34.673 11.713 1.00 46.57 C ATOM 114 CG ARG A 611 24.194 35.130 12.913 1.00 50.62 C ATOM 115 CD ARG A 611 25.455 35.863 12.485 1.00 54.79 C ATOM 116 NE ARG A 611 25.154 36.986 11.588 1.00 57.74 N ATOM 117 CZ ARG A 611 24.887 38.238 11.972 1.00 61.35 C ATOM 118 NH1 ARG A 611 24.885 38.584 13.266 1.00 59.19 N ATOM 119 NH2 ARG A 611 24.616 39.162 11.042 1.00 63.52 N ATOM 120 HE ARG A 611 25.148 36.790 10.567 1.00 0.00 H ATOM 121 HH12 ARG A 611 24.674 39.564 13.542 1.00 0.00 H ATOM 122 HH11 ARG A 611 25.094 37.872 13.995 1.00 0.00 H ATOM 123 HH22 ARG A 611 24.406 40.140 11.326 1.00 0.00 H ATOM 124 HH21 ARG A 611 24.615 38.902 10.035 1.00 0.00 H ATOM 125 H ARG A 611 21.294 35.594 13.066 1.00 0.00 H ATOM 126 N PHE A 612 21.428 35.671 8.948 1.00 41.86 N ATOM 127 CA PHE A 612 20.563 35.230 7.854 1.00 42.43 C ATOM 128 C PHE A 612 20.927 33.812 7.402 1.00 43.92 C ATOM 129 O PHE A 612 22.068 33.528 7.086 1.00 44.16 O ATOM 130 CB PHE A 612 20.628 36.194 6.636 1.00 42.57 C ATOM 131 CG PHE A 612 19.809 35.707 5.455 1.00 42.51 C ATOM 132 CD1 PHE A 612 18.420 35.843 5.448 1.00 40.60 C ATOM 133 CD2 PHE A 612 20.419 35.048 4.384 1.00 43.75 C ATOM 134 CE1 PHE A 612 17.661 35.343 4.387 1.00 40.89 C ATOM 135 CE2 PHE A 612 19.665 34.545 3.336 1.00 44.92 C ATOM 136 CZ PHE A 612 18.285 34.696 3.337 1.00 42.98 C ATOM 137 H PHE A 612 22.082 36.462 8.776 1.00 0.00 H ATOM 138 N LYS A 613 19.940 32.924 7.377 1.00 45.74 N ATOM 139 CA LYS A 613 20.143 31.563 6.841 1.00 47.86 C ATOM 140 C LYS A 613 19.453 31.394 5.510 1.00 46.46 C ATOM 141 O LYS A 613 20.036 30.857 4.559 1.00 48.17 O ATOM 142 CB LYS A 613 19.665 30.501 7.833 1.00 48.95 C ATOM 143 CG LYS A 613 20.597 30.360 9.042 1.00 53.05 C ATOM 144 CD LYS A 613 21.870 29.601 8.678 1.00 60.03 C ATOM 145 CE LYS A 613 23.076 30.083 9.470 1.00 64.37 C ATOM 146 NZ LYS A 613 24.331 29.535 8.878 1.00 69.69 N ATOM 147 HZ1 LYS A 613 24.299 28.496 8.902 1.00 0.00 H ATOM 148 HZ2 LYS A 613 24.418 29.857 7.893 1.00 0.00 H ATOM 149 HZ3 LYS A 613 25.148 29.871 9.427 1.00 0.00 H ATOM 150 H LYS A 613 19.004 33.193 7.743 1.00 0.00 H ATOM 151 N GLU A 614 18.217 31.868 5.417 1.00 43.24 N ATOM 152 CA GLU A 614 17.399 31.490 4.277 1.00 44.61 C ATOM 153 C GLU A 614 16.079 32.219 4.272 1.00 42.40 C ATOM 154 O GLU A 614 15.481 32.477 5.321 1.00 40.41 O ATOM 155 CB GLU A 614 17.197 29.967 4.326 1.00 47.43 C ATOM 156 CG GLU A 614 15.878 29.423 3.824 1.00 49.42 C ATOM 157 CD GLU A 614 15.808 27.913 4.006 1.00 51.96 C ATOM 158 OE1 GLU A 614 16.471 27.379 4.927 1.00 51.77 O ATOM 159 OE2 GLU A 614 15.093 27.264 3.231 1.00 53.48 O ATOM 160 H GLU A 614 17.839 32.501 6.150 1.00 0.00 H ATOM 161 N LYS A 615 15.624 32.550 3.078 1.00 42.92 N ATOM 162 CA LYS A 615 14.304 33.118 2.903 1.00 42.79 C ATOM 163 C LYS A 615 13.280 31.978 2.901 1.00 43.11 C ATOM 164 O LYS A 615 13.390 31.077 2.104 1.00 45.69 O ATOM 165 CB LYS A 615 14.235 33.868 1.588 1.00 44.29 C ATOM 166 CG LYS A 615 12.904 34.563 1.401 1.00 44.14 C ATOM 167 CD LYS A 615 12.924 35.454 0.183 1.00 47.87 C ATOM 168 CE LYS A 615 11.497 35.838 -0.156 1.00 49.45 C ATOM 169 NZ LYS A 615 11.453 36.707 -1.343 1.00 53.83 N ATOM 170 HZ1 LYS A 615 11.997 37.574 -1.157 1.00 0.00 H ATOM 171 HZ2 LYS A 615 11.866 36.204 -2.155 1.00 0.00 H ATOM 172 HZ3 LYS A 615 10.465 36.955 -1.553 1.00 0.00 H ATOM 173 H LYS A 615 16.227 32.399 2.244 1.00 0.00 H ATOM 174 N LEU A 616 12.307 32.018 3.804 1.00 41.52 N ATOM 175 CA LEU A 616 11.313 30.949 3.915 1.00 42.69 C ATOM 176 C LEU A 616 10.114 31.191 3.007 1.00 42.08 C ATOM 177 O LEU A 616 9.486 30.261 2.533 1.00 40.56 O ATOM 178 CB LEU A 616 10.815 30.821 5.354 1.00 41.74 C ATOM 179 CG LEU A 616 11.846 30.297 6.328 1.00 43.38 C ATOM 180 CD1 LEU A 616 11.331 30.430 7.750 1.00 45.01 C ATOM 181 CD2 LEU A 616 12.192 28.845 6.005 1.00 45.57 C ATOM 182 H LEU A 616 12.250 32.831 4.450 1.00 0.00 H ATOM 183 N GLY A 617 9.791 32.456 2.793 1.00 43.43 N ATOM 184 CA GLY A 617 8.696 32.793 1.912 1.00 42.39 C ATOM 185 C GLY A 617 8.396 34.263 1.916 1.00 43.57 C ATOM 186 O GLY A 617 9.185 35.108 2.396 1.00 41.09 O ATOM 187 H GLY A 617 10.329 33.213 3.262 1.00 0.00 H ATOM 188 N GLU A 618 7.213 34.560 1.411 1.00 43.89 N ATOM 189 CA GLU A 618 6.904 35.865 0.949 1.00 46.58 C ATOM 190 C GLU A 618 5.419 36.006 0.828 1.00 45.94 C ATOM 191 O GLU A 618 4.744 35.048 0.487 1.00 46.74 O ATOM 192 CB GLU A 618 7.521 35.960 -0.429 1.00 52.40 C ATOM 193 CG GLU A 618 7.271 37.234 -1.167 1.00 59.08 C ATOM 194 CD GLU A 618 8.262 37.373 -2.297 1.00 65.68 C ATOM 195 OE1 GLU A 618 8.232 36.501 -3.195 1.00 69.81 O ATOM 196 OE2 GLU A 618 9.075 38.330 -2.263 1.00 66.98 O ATOM 197 H GLU A 618 6.488 33.817 1.350 1.00 0.00 H ATOM 198 N GLY A 619 4.913 37.201 1.090 1.00 47.71 N ATOM 199 CA GLY A 619 3.545 37.553 0.706 1.00 50.14 C ATOM 200 C GLY A 619 3.446 39.003 0.278 1.00 53.16 C ATOM 201 O GLY A 619 4.461 39.669 0.060 1.00 51.87 O ATOM 202 H GLY A 619 5.501 37.906 1.580 1.00 0.00 H ATOM 203 N GLN A 620 2.210 39.484 0.166 1.00 56.66 N ATOM 204 CA GLN A 620 1.930 40.890 -0.124 1.00 59.95 C ATOM 205 C GLN A 620 2.635 41.818 0.870 1.00 59.54 C ATOM 206 O GLN A 620 3.184 42.842 0.476 1.00 58.30 O ATOM 207 CB GLN A 620 0.415 41.145 -0.099 1.00 62.95 C ATOM 208 H GLN A 620 1.409 38.832 0.290 1.00 0.00 H ATOM 209 N PHE A 621 2.641 41.427 2.146 1.00 58.31 N ATOM 210 CA PHE A 621 3.264 42.211 3.229 1.00 60.33 C ATOM 211 C PHE A 621 4.786 42.425 3.104 1.00 56.80 C ATOM 212 O PHE A 621 5.292 43.457 3.504 1.00 57.98 O ATOM 213 CB PHE A 621 2.967 41.555 4.603 1.00 60.01 C ATOM 214 CG PHE A 621 3.703 40.238 4.846 1.00 58.15 C ATOM 215 CD1 PHE A 621 5.026 40.230 5.293 1.00 55.75 C ATOM 216 CD2 PHE A 621 3.055 39.008 4.670 1.00 56.95 C ATOM 217 CE1 PHE A 621 5.694 39.034 5.521 1.00 54.52 C ATOM 218 CE2 PHE A 621 3.726 37.808 4.902 1.00 55.55 C ATOM 219 CZ PHE A 621 5.045 37.824 5.326 1.00 54.51 C ATOM 220 H PHE A 621 2.184 40.525 2.389 1.00 0.00 H ATOM 221 N GLY A 622 5.502 41.441 2.565 1.00 52.48 N ATOM 222 CA GLY A 622 6.953 41.386 2.682 1.00 50.63 C ATOM 223 C GLY A 622 7.409 39.931 2.670 1.00 48.08 C ATOM 224 O GLY A 622 7.002 39.164 1.797 1.00 47.98 O ATOM 225 H GLY A 622 5.010 40.687 2.044 1.00 0.00 H ATOM 226 N GLU A 623 8.231 39.538 3.638 1.00 44.03 N ATOM 227 CA GLU A 623 8.823 38.209 3.609 1.00 44.35 C ATOM 228 C GLU A 623 9.160 37.612 4.976 1.00 42.18 C ATOM 229 O GLU A 623 9.087 38.285 5.997 1.00 43.50 O ATOM 230 CB GLU A 623 10.035 38.176 2.653 1.00 45.80 C ATOM 231 CG GLU A 623 11.108 39.228 2.876 1.00 47.28 C ATOM 232 CD GLU A 623 12.080 39.346 1.697 1.00 49.22 C ATOM 233 OE1 GLU A 623 11.633 39.571 0.552 1.00 51.31 O ATOM 234 OE2 GLU A 623 13.301 39.222 1.915 1.00 49.35 O ATOM 235 H GLU A 623 8.453 40.185 4.422 1.00 0.00 H ATOM 236 N VAL A 624 9.462 36.316 4.973 1.00 40.07 N ATOM 237 CA VAL A 624 9.848 35.593 6.163 1.00 38.68 C ATOM 238 C VAL A 624 11.234 34.987 5.922 1.00 37.47 C ATOM 239 O VAL A 624 11.497 34.396 4.876 1.00 37.11 O ATOM 240 CB VAL A 624 8.779 34.518 6.544 1.00 41.67 C ATOM 241 CG1 VAL A 624 9.114 33.839 7.859 1.00 40.58 C ATOM 242 CG2 VAL A 624 7.407 35.154 6.674 1.00 42.02 C ATOM 243 H VAL A 624 9.418 35.799 4.072 1.00 0.00 H ATOM 244 N HIS A 625 12.136 35.192 6.880 1.00 36.81 N ATOM 245 CA HIS A 625 13.474 34.608 6.856 1.00 36.78 C ATOM 246 C HIS A 625 13.721 33.669 8.031 1.00 36.75 C ATOM 247 O HIS A 625 13.281 33.928 9.145 1.00 38.82 O ATOM 248 CB HIS A 625 14.547 35.687 6.988 1.00 37.41 C ATOM 249 CG HIS A 625 14.485 36.742 5.940 1.00 39.67 C ATOM 250 ND1 HIS A 625 15.146 37.942 6.068 1.00 39.49 N ATOM 251 CD2 HIS A 625 13.842 36.787 4.750 1.00 41.10 C ATOM 252 CE1 HIS A 625 14.917 38.683 4.997 1.00 41.88 C ATOM 253 NE2 HIS A 625 14.120 38.006 4.186 1.00 42.75 N ATOM 254 H HIS A 625 11.875 35.797 7.684 1.00 0.00 H ATOM 255 N LEU A 626 14.491 32.624 7.787 1.00 37.87 N ATOM 256 CA LEU A 626 15.089 31.845 8.843 1.00 38.74 C ATOM 257 C LEU A 626 16.409 32.496 9.254 1.00 38.22 C ATOM 258 O LEU A 626 17.293 32.662 8.429 1.00 40.53 O ATOM 259 CB LEU A 626 15.352 30.428 8.342 1.00 40.93 C ATOM 260 CG LEU A 626 15.868 29.432 9.382 1.00 44.07 C ATOM 261 CD1 LEU A 626 14.928 29.347 10.578 1.00 43.77 C ATOM 262 CD2 LEU A 626 16.006 28.068 8.733 1.00 47.46 C ATOM 263 H LEU A 626 14.672 32.354 6.799 1.00 0.00 H ATOM 264 N CYS A 627 16.537 32.867 10.518 1.00 36.94 N ATOM 265 CA CYS A 627 17.792 33.396 11.053 1.00 38.37 C ATOM 266 C CYS A 627 18.306 32.548 12.213 1.00 40.27 C ATOM 267 O CYS A 627 17.553 31.793 12.828 1.00 37.57 O ATOM 268 CB CYS A 627 17.629 34.832 11.528 1.00 37.70 C ATOM 269 SG CYS A 627 17.256 36.001 10.190 1.00 38.67 S ATOM 270 H CYS A 627 15.718 32.780 11.153 1.00 0.00 H ATOM 271 N GLU A 628 19.608 32.675 12.480 1.00 41.36 N ATOM 272 CA GLU A 628 20.220 32.100 13.668 1.00 42.21 C ATOM 273 C GLU A 628 20.593 33.250 14.590 1.00 40.35 C ATOM 274 O GLU A 628 21.086 34.264 14.135 1.00 37.60 O ATOM 275 CB GLU A 628 21.477 31.295 13.315 1.00 44.38 C ATOM 276 CG GLU A 628 22.306 30.841 14.516 1.00 46.26 C ATOM 277 CD GLU A 628 23.549 30.042 14.118 1.00 49.44 C ATOM 278 OE1 GLU A 628 23.759 29.815 12.914 1.00 50.66 O ATOM 279 OE2 GLU A 628 24.328 29.655 15.011 1.00 51.12 O ATOM 280 H GLU A 628 20.207 33.204 11.814 1.00 0.00 H ATOM 281 N VAL A 629 20.388 33.067 15.889 1.00 41.09 N ATOM 282 CA VAL A 629 20.718 34.103 16.860 1.00 42.50 C ATOM 283 C VAL A 629 22.196 33.972 17.226 1.00 43.15 C ATOM 284 O VAL A 629 22.642 32.937 17.705 1.00 44.67 O ATOM 285 CB VAL A 629 19.819 34.013 18.111 1.00 43.07 C ATOM 286 CG1 VAL A 629 20.167 35.124 19.095 1.00 43.11 C ATOM 287 CG2 VAL A 629 18.351 34.107 17.703 1.00 42.10 C ATOM 288 H VAL A 629 19.984 32.168 16.220 1.00 0.00 H ATOM 289 N ASP A 630 22.951 35.034 16.987 1.00 44.10 N ATOM 290 CA ASP A 630 24.378 35.059 17.264 1.00 45.68 C ATOM 291 C ASP A 630 24.605 35.123 18.775 1.00 45.35 C ATOM 292 O ASP A 630 24.032 35.976 19.449 1.00 41.45 O ATOM 293 CB ASP A 630 25.004 36.272 16.582 1.00 49.55 C ATOM 294 CG ASP A 630 26.516 36.193 16.511 1.00 54.62 C ATOM 295 OD1 ASP A 630 27.183 36.355 17.550 1.00 57.28 O ATOM 296 OD2 ASP A 630 27.039 35.975 15.405 1.00 62.72 O ATOM 297 H ASP A 630 22.505 35.883 16.585 1.00 0.00 H ATOM 298 N SER A 631 25.420 34.197 19.284 1.00 48.51 N ATOM 299 CA SER A 631 25.811 34.124 20.697 1.00 51.62 C ATOM 300 C SER A 631 24.629 34.357 21.656 1.00 48.09 C ATOM 301 O SER A 631 24.614 35.310 22.448 1.00 45.39 O ATOM 302 CB SER A 631 26.965 35.100 20.956 1.00 53.33 C ATOM 303 OG SER A 631 27.997 34.865 20.011 1.00 57.97 O ATOM 304 HG SER A 631 27.643 35.003 19.097 1.00 0.00 H ATOM 305 H SER A 631 25.804 33.479 18.636 1.00 0.00 H ATOM 306 N PRO A 632 23.635 33.469 21.580 1.00 47.21 N ATOM 307 CA PRO A 632 22.374 33.671 22.275 1.00 45.38 C ATOM 308 C PRO A 632 22.489 33.683 23.806 1.00 47.52 C ATOM 309 O PRO A 632 21.672 34.336 24.465 1.00 47.05 O ATOM 310 CB PRO A 632 21.505 32.512 21.778 1.00 47.04 C ATOM 311 CG PRO A 632 22.452 31.469 21.278 1.00 48.46 C ATOM 312 CD PRO A 632 23.689 32.187 20.846 1.00 48.88 C ATOM 313 N GLN A 633 23.493 33.003 24.357 1.00 47.68 N ATOM 314 CA GLN A 633 23.695 32.965 25.803 1.00 51.77 C ATOM 315 C GLN A 633 23.887 34.350 26.422 1.00 50.62 C ATOM 316 O GLN A 633 23.468 34.580 27.553 1.00 51.02 O ATOM 317 CB GLN A 633 24.895 32.067 26.143 1.00 55.94 C ATOM 318 CG GLN A 633 25.140 31.833 27.621 1.00 59.32 C ATOM 319 CD GLN A 633 23.949 31.229 28.326 1.00 61.73 C ATOM 320 OE1 GLN A 633 23.331 30.291 27.827 1.00 64.26 O ATOM 321 NE2 GLN A 633 23.632 31.751 29.504 1.00 63.09 N ATOM 322 HE22 GLN A 633 24.184 32.545 29.887 1.00 0.00 H ATOM 323 HE21 GLN A 633 22.831 31.366 30.045 1.00 0.00 H ATOM 324 H GLN A 633 24.151 32.485 23.741 1.00 0.00 H ATOM 325 N ASP A 634 24.512 35.264 25.682 1.00 49.72 N ATOM 326 CA ASP A 634 24.629 36.666 26.110 1.00 49.89 C ATOM 327 C ASP A 634 23.293 37.429 26.145 1.00 49.56 C ATOM 328 O ASP A 634 23.158 38.369 26.925 1.00 49.16 O ATOM 329 CB ASP A 634 25.655 37.432 25.246 1.00 50.31 C ATOM 330 CG ASP A 634 27.117 37.086 25.610 1.00 53.52 C ATOM 331 OD1 ASP A 634 27.587 37.382 26.755 1.00 53.76 O ATOM 332 OD2 ASP A 634 27.788 36.514 24.726 1.00 54.76 O ATOM 333 H ASP A 634 24.930 34.978 24.774 1.00 0.00 H ATOM 334 N LEU A 635 22.318 37.028 25.329 1.00 50.11 N ATOM 335 CA LEU A 635 21.002 37.695 25.279 1.00 52.64 C ATOM 336 C LEU A 635 20.002 37.176 26.292 1.00 56.79 C ATOM 337 O LEU A 635 18.996 37.843 26.567 1.00 54.88 O ATOM 338 CB LEU A 635 20.345 37.526 23.914 1.00 52.59 C ATOM 339 CG LEU A 635 21.073 38.011 22.674 1.00 54.37 C ATOM 340 CD1 LEU A 635 20.091 37.973 21.515 1.00 55.08 C ATOM 341 CD2 LEU A 635 21.634 39.420 22.852 1.00 57.91 C ATOM 342 H LEU A 635 22.491 36.215 24.704 1.00 0.00 H ATOM 343 N VAL A 636 20.251 35.966 26.787 1.00 59.88 N ATOM 344 CA VAL A 636 19.355 35.319 27.726 1.00 65.71 C ATOM 345 C VAL A 636 19.064 36.242 28.916 1.00 71.07 C ATOM 346 O VAL A 636 19.943 36.514 29.742 1.00 69.06 O ATOM 347 CB VAL A 636 19.927 33.966 28.214 1.00 67.86 C ATOM 348 CG1 VAL A 636 19.229 33.495 29.484 1.00 70.13 C ATOM 349 CG2 VAL A 636 19.795 32.916 27.115 1.00 65.25 C ATOM 350 H VAL A 636 21.115 35.469 26.491 1.00 0.00 H ATOM 351 N SER A 637 17.819 36.718 28.966 1.00 73.96 N ATOM 352 CA SER A 637 17.319 37.565 30.052 1.00 77.06 C ATOM 353 C SER A 637 15.815 37.331 30.248 1.00 79.61 C ATOM 354 O SER A 637 15.180 36.587 29.486 1.00 77.05 O ATOM 355 CB SER A 637 17.578 39.044 29.730 1.00 74.86 C ATOM 356 OG SER A 637 16.905 39.439 28.536 1.00 71.72 O ATOM 357 HG SER A 637 17.229 38.889 27.779 1.00 0.00 H ATOM 358 H SER A 637 17.168 36.475 28.192 1.00 0.00 H ATOM 359 N LEU A 638 15.260 37.977 31.271 1.00 83.49 N ATOM 360 CA LEU A 638 13.817 37.979 31.521 1.00 84.74 C ATOM 361 C LEU A 638 13.033 38.527 30.327 1.00 82.95 C ATOM 362 O LEU A 638 11.953 38.028 30.023 1.00 84.46 O ATOM 363 CB LEU A 638 13.497 38.799 32.776 1.00 90.18 C ATOM 364 H LEU A 638 15.878 38.503 31.921 1.00 0.00 H ATOM 365 N ASP A 639 13.592 39.531 29.646 1.00 97.97 N ATOM 366 CA ASP A 639 12.943 40.172 28.491 1.00 91.72 C ATOM 367 C ASP A 639 13.016 39.331 27.214 1.00 88.66 C ATOM 368 O ASP A 639 12.109 39.393 26.377 1.00 86.73 O ATOM 369 CB ASP A 639 13.552 41.556 28.240 1.00 90.17 C ATOM 370 H ASP A 639 14.527 39.875 29.945 1.00 0.00 H ATOM 371 N PHE A 640 14.105 38.575 27.053 1.00 88.21 N ATOM 372 CA PHE A 640 14.230 37.574 25.986 1.00 83.20 C ATOM 373 C PHE A 640 14.585 36.237 26.626 1.00 87.91 C ATOM 374 O PHE A 640 15.766 35.867 26.695 1.00 86.24 O ATOM 375 CB PHE A 640 15.314 37.945 24.964 1.00 79.16 C ATOM 376 CG PHE A 640 15.147 39.305 24.368 1.00 76.69 C ATOM 377 CD1 PHE A 640 14.042 39.600 23.575 1.00 73.68 C ATOM 378 CD2 PHE A 640 16.092 40.294 24.593 1.00 77.10 C ATOM 379 CE1 PHE A 640 13.878 40.863 23.032 1.00 71.73 C ATOM 380 CE2 PHE A 640 15.936 41.556 24.045 1.00 76.92 C ATOM 381 CZ PHE A 640 14.828 41.839 23.263 1.00 74.61 C ATOM 382 H PHE A 640 14.899 38.701 27.712 1.00 0.00 H ATOM 383 N PRO A 641 13.569 35.514 27.127 1.00 92.60 N ATOM 384 CA PRO A 641 13.866 34.188 27.644 1.00 94.12 C ATOM 385 C PRO A 641 13.973 33.249 26.448 1.00 87.49 C ATOM 386 O PRO A 641 12.963 32.926 25.814 1.00 87.23 O ATOM 387 CB PRO A 641 12.654 33.875 28.525 1.00 96.95 C ATOM 388 CG PRO A 641 11.536 34.711 27.971 1.00 94.78 C ATOM 389 CD PRO A 641 12.117 35.756 27.052 1.00 92.03 C ATOM 390 N LEU A 642 15.203 32.887 26.105 1.00 82.35 N ATOM 391 CA LEU A 642 15.470 32.039 24.950 1.00 75.40 C ATOM 392 C LEU A 642 15.934 30.688 25.465 1.00 75.63 C ATOM 393 O LEU A 642 16.585 30.607 26.512 1.00 77.37 O ATOM 394 CB LEU A 642 16.543 32.658 24.044 1.00 72.42 C ATOM 395 CG LEU A 642 16.357 34.109 23.573 1.00 70.81 C ATOM 396 CD1 LEU A 642 17.672 34.700 23.082 1.00 70.53 C ATOM 397 CD2 LEU A 642 15.297 34.204 22.495 1.00 67.82 C ATOM 398 H LEU A 642 16.003 33.220 26.680 1.00 0.00 H ATOM 399 N ASN A 643 15.589 29.632 24.735 1.00 73.78 N ATOM 400 CA ASN A 643 16.002 28.274 25.094 1.00 75.21 C ATOM 401 C ASN A 643 17.307 27.957 24.388 1.00 68.88 C ATOM 402 O ASN A 643 17.310 27.567 23.233 1.00 65.34 O ATOM 403 CB ASN A 643 14.915 27.258 24.720 1.00 77.08 C ATOM 404 H ASN A 643 15.009 29.775 23.884 1.00 0.00 H ATOM 405 N VAL A 644 18.419 28.158 25.081 1.00 69.97 N ATOM 406 CA VAL A 644 19.734 28.000 24.474 1.00 66.35 C ATOM 407 C VAL A 644 20.219 26.584 24.708 1.00 67.12 C ATOM 408 O VAL A 644 20.061 26.038 25.795 1.00 70.44 O ATOM 409 CB VAL A 644 20.761 29.008 25.039 1.00 67.64 C ATOM 410 CG1 VAL A 644 22.133 28.802 24.401 1.00 66.68 C ATOM 411 CG2 VAL A 644 20.280 30.437 24.814 1.00 66.78 C ATOM 412 H VAL A 644 18.351 28.435 26.081 1.00 0.00 H ATOM 413 N ARG A 645 20.822 26.005 23.676 1.00 63.81 N ATOM 414 CA ARG A 645 21.398 24.675 23.747 1.00 64.70 C ATOM 415 C ARG A 645 22.843 24.769 23.274 1.00 63.31 C ATOM 416 O ARG A 645 23.110 24.890 22.076 1.00 57.79 O ATOM 417 CB ARG A 645 20.595 23.697 22.881 1.00 63.06 C ATOM 418 CG ARG A 645 20.895 22.232 23.155 1.00 65.68 C ATOM 419 CD ARG A 645 19.940 21.338 22.380 1.00 65.35 C ATOM 420 NE ARG A 645 20.094 19.912 22.697 1.00 67.97 N ATOM 421 CZ ARG A 645 19.453 19.264 23.667 1.00 70.73 C ATOM 422 NH1 ARG A 645 18.607 19.892 24.468 1.00 72.04 N ATOM 423 NH2 ARG A 645 19.669 17.967 23.844 1.00 73.75 N ATOM 424 HE ARG A 645 20.759 19.363 22.115 1.00 0.00 H ATOM 425 HH12 ARG A 645 18.116 19.367 25.220 1.00 0.00 H ATOM 426 HH11 ARG A 645 18.433 20.910 24.345 1.00 0.00 H ATOM 427 HH22 ARG A 645 19.171 17.455 24.600 1.00 0.00 H ATOM 428 HH21 ARG A 645 20.336 17.462 23.227 1.00 0.00 H ATOM 429 H ARG A 645 20.884 26.527 22.779 1.00 0.00 H ATOM 430 N LYS A 646 23.768 24.714 24.229 1.00 66.99 N ATOM 431 CA LYS A 646 25.189 24.872 23.939 1.00 66.33 C ATOM 432 C LYS A 646 25.570 23.934 22.802 1.00 62.98 C ATOM 433 O LYS A 646 25.195 22.765 22.805 1.00 62.90 O ATOM 434 CB LYS A 646 26.041 24.584 25.188 1.00 69.23 C ATOM 435 H LYS A 646 23.469 24.553 25.212 1.00 0.00 H ATOM 436 N GLY A 647 26.291 24.455 21.817 1.00 60.86 N ATOM 437 CA GLY A 647 26.752 23.637 20.698 1.00 60.31 C ATOM 438 C GLY A 647 25.798 23.562 19.516 1.00 59.52 C ATOM 439 O GLY A 647 26.162 22.999 18.490 1.00 62.06 O ATOM 440 H GLY A 647 26.533 25.466 21.842 1.00 0.00 H ATOM 441 N HIS A 648 24.597 24.138 19.637 1.00 57.33 N ATOM 442 CA HIS A 648 23.584 24.064 18.579 1.00 53.86 C ATOM 443 C HIS A 648 22.966 25.424 18.263 1.00 50.28 C ATOM 444 O HIS A 648 22.667 26.197 19.166 1.00 49.68 O ATOM 445 CB HIS A 648 22.472 23.102 18.987 1.00 55.98 C ATOM 446 CG HIS A 648 22.923 21.687 19.106 1.00 59.32 C ATOM 447 ND1 HIS A 648 22.903 20.811 18.042 1.00 59.83 N ATOM 448 CD2 HIS A 648 23.435 21.000 20.155 1.00 62.27 C ATOM 449 CE1 HIS A 648 23.373 19.640 18.435 1.00 62.15 C ATOM 450 NE2 HIS A 648 23.702 19.728 19.712 1.00 63.66 N ATOM 451 H HIS A 648 24.374 24.656 20.511 1.00 0.00 H ATOM 452 N PRO A 649 22.734 25.705 16.972 1.00 48.44 N ATOM 453 CA PRO A 649 22.151 26.999 16.592 1.00 46.49 C ATOM 454 C PRO A 649 20.744 27.219 17.148 1.00 45.18 C ATOM 455 O PRO A 649 19.904 26.337 17.063 1.00 42.30 O ATOM 456 CB PRO A 649 22.085 26.931 15.065 1.00 46.26 C ATOM 457 CG PRO A 649 22.091 25.473 14.728 1.00 48.22 C ATOM 458 CD PRO A 649 22.817 24.763 15.837 1.00 48.26 C ATOM 459 N LEU A 650 20.510 28.393 17.718 1.00 44.24 N ATOM 460 CA LEU A 650 19.164 28.839 18.041 1.00 44.68 C ATOM 461 C LEU A 650 18.564 29.479 16.790 1.00 41.55 C ATOM 462 O LEU A 650 19.005 30.532 16.356 1.00 39.84 O ATOM 463 CB LEU A 650 19.210 29.850 19.186 1.00 47.31 C ATOM 464 CG LEU A 650 17.943 29.966 20.021 1.00 49.47 C ATOM 465 CD1 LEU A 650 18.251 30.761 21.276 1.00 54.07 C ATOM 466 CD2 LEU A 650 16.800 30.618 19.264 1.00 47.70 C ATOM 467 H LEU A 650 21.314 29.014 17.941 1.00 0.00 H ATOM 468 N LEU A 651 17.550 28.831 16.234 1.00 41.87 N ATOM 469 CA LEU A 651 16.921 29.224 14.980 1.00 40.93 C ATOM 470 C LEU A 651 15.614 29.942 15.262 1.00 39.89 C ATOM 471 O LEU A 651 14.842 29.519 16.121 1.00 40.31 O ATOM 472 CB LEU A 651 16.672 27.979 14.110 1.00 41.99 C ATOM 473 CG LEU A 651 17.960 27.284 13.625 1.00 44.44 C ATOM 474 CD1 LEU A 651 17.655 26.102 12.733 1.00 44.79 C ATOM 475 CD2 LEU A 651 18.905 28.251 12.895 1.00 42.97 C ATOM 476 H LEU A 651 17.181 27.991 16.723 1.00 0.00 H ATOM 477 N VAL A 652 15.379 31.034 14.542 1.00 37.82 N ATOM 478 CA VAL A 652 14.149 31.812 14.680 1.00 36.93 C ATOM 479 C VAL A 652 13.575 32.190 13.313 1.00 36.72 C ATOM 480 O VAL A 652 14.325 32.319 12.337 1.00 35.80 O ATOM 481 CB VAL A 652 14.388 33.098 15.482 1.00 37.39 C ATOM 482 CG1 VAL A 652 14.767 32.752 16.922 1.00 39.82 C ATOM 483 CG2 VAL A 652 15.458 33.984 14.819 1.00 37.53 C ATOM 484 H VAL A 652 16.096 31.346 13.856 1.00 0.00 H ATOM 485 N ALA A 653 12.251 32.347 13.248 1.00 36.44 N ATOM 486 CA ALA A 653 11.596 32.915 12.070 1.00 36.94 C ATOM 487 C ALA A 653 11.375 34.413 12.250 1.00 36.65 C ATOM 488 O ALA A 653 10.964 34.867 13.317 1.00 37.01 O ATOM 489 CB ALA A 653 10.276 32.224 11.785 1.00 37.30 C ATOM 490 H ALA A 653 11.668 32.057 14.059 1.00 0.00 H ATOM 491 N VAL A 654 11.638 35.166 11.185 1.00 36.13 N ATOM 492 CA VAL A 654 11.536 36.619 11.193 1.00 36.56 C ATOM 493 C VAL A 654 10.665 37.085 10.026 1.00 38.18 C ATOM 494 O VAL A 654 10.987 36.856 8.857 1.00 38.64 O ATOM 495 CB VAL A 654 12.934 37.274 11.074 1.00 36.95 C ATOM 496 CG1 VAL A 654 12.867 38.759 11.408 1.00 37.49 C ATOM 497 CG2 VAL A 654 13.913 36.572 12.001 1.00 37.36 C ATOM 498 H VAL A 654 11.930 34.695 10.305 1.00 0.00 H ATOM 499 N LYS A 655 9.563 37.738 10.369 1.00 39.65 N ATOM 500 CA LYS A 655 8.607 38.270 9.420 1.00 41.26 C ATOM 501 C LYS A 655 8.900 39.751 9.291 1.00 42.33 C ATOM 502 O LYS A 655 8.888 40.473 10.289 1.00 40.89 O ATOM 503 CB LYS A 655 7.203 38.073 9.964 1.00 41.79 C ATOM 504 CG LYS A 655 6.069 38.582 9.105 1.00 44.46 C ATOM 505 CD LYS A 655 4.833 37.707 9.326 1.00 46.64 C ATOM 506 CE LYS A 655 3.530 38.453 9.116 1.00 50.47 C ATOM 507 NZ LYS A 655 2.367 37.534 9.330 1.00 54.24 N ATOM 508 HZ1 LYS A 655 2.421 36.745 8.654 1.00 0.00 H ATOM 509 HZ2 LYS A 655 2.394 37.163 10.301 1.00 0.00 H ATOM 510 HZ3 LYS A 655 1.481 38.058 9.183 1.00 0.00 H ATOM 511 H LYS A 655 9.373 37.877 11.382 1.00 0.00 H ATOM 512 N ILE A 656 9.120 40.205 8.065 1.00 43.96 N ATOM 513 CA ILE A 656 9.641 41.551 7.823 1.00 46.76 C ATOM 514 C ILE A 656 8.744 42.343 6.887 1.00 49.06 C ATOM 515 O ILE A 656 8.477 41.914 5.770 1.00 49.08 O ATOM 516 CB ILE A 656 11.043 41.472 7.191 1.00 47.79 C ATOM 517 CG1 ILE A 656 11.995 40.662 8.082 1.00 46.76 C ATOM 518 CG2 ILE A 656 11.607 42.865 6.913 1.00 49.07 C ATOM 519 CD1 ILE A 656 13.061 39.908 7.305 1.00 46.53 C ATOM 520 H ILE A 656 8.917 39.588 7.253 1.00 0.00 H ATOM 521 N LEU A 657 8.311 43.521 7.331 1.00 51.39 N ATOM 522 CA LEU A 657 7.513 44.405 6.492 1.00 53.65 C ATOM 523 C LEU A 657 8.367 45.058 5.412 1.00 60.10 C ATOM 524 O LEU A 657 9.392 45.660 5.708 1.00 62.94 O ATOM 525 CB LEU A 657 6.834 45.482 7.340 1.00 54.51 C ATOM 526 CG LEU A 657 5.908 46.431 6.565 1.00 56.90 C ATOM 527 CD1 LEU A 657 4.644 45.724 6.084 1.00 56.24 C ATOM 528 CD2 LEU A 657 5.550 47.645 7.394 1.00 57.50 C ATOM 529 H LEU A 657 8.548 43.817 8.299 1.00 0.00 H ATOM 530 N ARG A 658 7.938 44.934 4.161 1.00 66.16 N ATOM 531 CA ARG A 658 8.588 45.613 3.034 1.00 74.30 C ATOM 532 C ARG A 658 8.788 47.132 3.304 1.00 77.53 C ATOM 533 O ARG A 658 7.867 47.810 3.756 1.00 72.38 O ATOM 534 CB ARG A 658 7.771 45.398 1.753 1.00 77.22 C ATOM 535 CG ARG A 658 6.394 46.043 1.788 1.00 80.74 C ATOM 536 CD ARG A 658 5.480 45.565 0.675 1.00 84.83 C ATOM 537 NE ARG A 658 6.069 45.819 -0.634 1.00 91.12 N ATOM 538 CZ ARG A 658 5.567 45.392 -1.784 1.00 92.93 C ATOM 539 NH1 ARG A 658 4.443 44.688 -1.817 1.00 91.89 N ATOM 540 NH2 ARG A 658 6.199 45.678 -2.911 1.00 98.84 N ATOM 541 HE ARG A 658 6.947 46.376 -0.668 1.00 0.00 H ATOM 542 HH12 ARG A 658 4.061 44.360 -2.727 1.00 0.00 H ATOM 543 HH11 ARG A 658 3.943 44.464 -0.933 1.00 0.00 H ATOM 544 HH22 ARG A 658 5.816 45.349 -3.820 1.00 0.00 H ATOM 545 HH21 ARG A 658 7.079 46.232 -2.888 1.00 0.00 H ATOM 546 H ARG A 658 7.110 44.333 3.973 1.00 0.00 H ATOM 547 N PRO A 659 10.014 47.655 3.068 1.00 85.45 N ATOM 548 CA PRO A 659 10.280 49.103 3.184 1.00 88.15 C ATOM 549 C PRO A 659 9.335 50.032 2.411 1.00 89.14 C ATOM 550 O PRO A 659 9.019 51.116 2.903 1.00 90.66 O ATOM 551 CB PRO A 659 11.706 49.228 2.651 1.00 91.78 C ATOM 552 CG PRO A 659 12.356 47.950 3.091 1.00 90.11 C ATOM 553 CD PRO A 659 11.278 46.886 3.017 1.00 86.91 C ATOM 554 N ASP A 660 8.870 49.620 1.235 1.00 87.79 N ATOM 555 CA ASP A 660 7.973 50.472 0.444 1.00 91.23 C ATOM 556 C ASP A 660 6.485 50.256 0.778 1.00 86.84 C ATOM 557 O ASP A 660 5.614 50.583 -0.031 1.00 86.58 O ATOM 558 CB ASP A 660 8.223 50.264 -1.058 1.00 95.32 C ATOM 559 CG ASP A 660 7.615 48.972 -1.586 1.00 93.23 C ATOM 560 OD1 ASP A 660 7.725 47.927 -0.904 1.00 85.18 O ATOM 561 OD2 ASP A 660 7.020 49.016 -2.684 1.00 95.24 O ATOM 562 H ASP A 660 9.144 48.685 0.872 1.00 0.00 H ATOM 563 N ALA A 661 6.208 49.718 1.967 1.00 80.32 N ATOM 564 CA ALA A 661 4.845 49.366 2.389 1.00 77.72 C ATOM 565 C ALA A 661 3.955 50.597 2.520 1.00 77.56 C ATOM 566 O ALA A 661 4.430 51.671 2.858 1.00 77.80 O ATOM 567 CB ALA A 661 4.874 48.604 3.714 1.00 72.06 C ATOM 568 H ALA A 661 6.993 49.539 2.626 1.00 0.00 H ATOM 569 N THR A 662 2.663 50.425 2.263 1.00 77.34 N ATOM 570 CA THR A 662 1.699 51.516 2.383 1.00 79.38 C ATOM 571 C THR A 662 1.415 51.836 3.854 1.00 75.88 C ATOM 572 O THR A 662 1.757 51.066 4.747 1.00 71.09 O ATOM 573 CB THR A 662 0.370 51.195 1.658 1.00 80.76 C ATOM 574 OG1 THR A 662 -0.330 50.150 2.342 1.00 75.97 O ATOM 575 CG2 THR A 662 0.620 50.778 0.205 1.00 83.82 C ATOM 576 HG1 THR A 662 -1.177 49.956 1.867 1.00 0.00 H ATOM 577 H THR A 662 2.328 49.486 1.968 1.00 0.00 H ATOM 578 N LYS A 663 0.795 52.984 4.101 1.00 78.35 N ATOM 579 CA LYS A 663 0.359 53.360 5.456 1.00 76.11 C ATOM 580 C LYS A 663 -0.510 52.266 6.089 1.00 71.53 C ATOM 581 O LYS A 663 -0.352 51.955 7.263 1.00 68.03 O ATOM 582 CB LYS A 663 -0.405 54.694 5.442 1.00 77.24 C ATOM 583 H LYS A 663 0.612 53.638 3.313 1.00 0.00 H ATOM 584 N ASN A 664 -1.418 51.697 5.299 1.00 72.82 N ATOM 585 CA ASN A 664 -2.318 50.637 5.761 1.00 71.96 C ATOM 586 C ASN A 664 -1.623 49.320 6.072 1.00 67.64 C ATOM 587 O ASN A 664 -1.905 48.700 7.092 1.00 65.46 O ATOM 588 CB ASN A 664 -3.407 50.373 4.727 1.00 75.12 C ATOM 589 CG ASN A 664 -4.491 51.420 4.752 1.00 80.29 C ATOM 590 OD1 ASN A 664 -4.325 52.490 5.333 1.00 81.64 O ATOM 591 ND2 ASN A 664 -5.616 51.117 4.118 1.00 83.49 N ATOM 592 HD22 ASN A 664 -5.712 50.199 3.640 1.00 0.00 H ATOM 593 HD21 ASN A 664 -6.402 51.798 4.099 1.00 0.00 H ATOM 594 H ASN A 664 -1.492 52.018 4.313 1.00 0.00 H ATOM 595 N ALA A 665 -0.748 48.890 5.168 1.00 66.67 N ATOM 596 CA ALA A 665 0.029 47.679 5.344 1.00 64.39 C ATOM 597 C ALA A 665 0.857 47.781 6.612 1.00 61.82 C ATOM 598 O ALA A 665 0.934 46.828 7.397 1.00 56.65 O ATOM 599 CB ALA A 665 0.936 47.458 4.145 1.00 65.94 C ATOM 600 H ALA A 665 -0.616 49.445 4.299 1.00 0.00 H ATOM 601 N ARG A 666 1.469 48.952 6.799 1.00 62.72 N ATOM 602 CA ARG A 666 2.278 49.223 7.968 1.00 61.53 C ATOM 603 C ARG A 666 1.436 49.144 9.235 1.00 60.39 C ATOM 604 O ARG A 666 1.895 48.619 10.258 1.00 56.64 O ATOM 605 CB ARG A 666 2.947 50.591 7.854 1.00 65.26 C ATOM 606 CG ARG A 666 3.822 50.934 9.045 1.00 66.01 C ATOM 607 CD ARG A 666 4.656 52.180 8.821 1.00 71.09 C ATOM 608 NE ARG A 666 5.263 52.602 10.085 1.00 72.57 N ATOM 609 CZ ARG A 666 6.525 52.378 10.451 1.00 72.82 C ATOM 610 NH1 ARG A 666 7.374 51.752 9.647 1.00 74.63 N ATOM 611 NH2 ARG A 666 6.950 52.803 11.634 1.00 73.72 N ATOM 612 HE ARG A 666 4.658 53.120 10.754 1.00 0.00 H ATOM 613 HH12 ARG A 666 8.354 51.588 9.953 1.00 0.00 H ATOM 614 HH11 ARG A 666 7.059 51.426 8.711 1.00 0.00 H ATOM 615 HH22 ARG A 666 7.933 52.631 11.926 1.00 0.00 H ATOM 616 HH21 ARG A 666 6.300 53.308 12.270 1.00 0.00 H ATOM 617 H ARG A 666 1.361 49.695 6.080 1.00 0.00 H ATOM 618 N ASN A 667 0.217 49.677 9.157 1.00 61.56 N ATOM 619 CA ASN A 667 -0.744 49.610 10.258 1.00 62.05 C ATOM 620 C ASN A 667 -1.288 48.221 10.542 1.00 59.30 C ATOM 621 O ASN A 667 -1.504 47.879 11.697 1.00 58.73 O ATOM 622 CB ASN A 667 -1.922 50.553 9.999 1.00 65.50 C ATOM 623 CG ASN A 667 -1.684 51.922 10.573 1.00 69.72 C ATOM 624 OD1 ASN A 667 -1.395 52.058 11.764 1.00 71.64 O ATOM 625 ND2 ASN A 667 -1.782 52.943 9.739 1.00 73.65 N ATOM 626 HD22 ASN A 667 -2.029 52.778 8.742 1.00 0.00 H ATOM 627 HD21 ASN A 667 -1.612 53.911 10.080 1.00 0.00 H ATOM 628 H ASN A 667 -0.062 50.159 8.279 1.00 0.00 H ATOM 629 N ASP A 668 -1.547 47.444 9.494 1.00 59.24 N ATOM 630 CA ASP A 668 -1.918 46.033 9.661 1.00 59.71 C ATOM 631 C ASP A 668 -0.799 45.251 10.321 1.00 54.99 C ATOM 632 O ASP A 668 -1.033 44.422 11.193 1.00 53.48 O ATOM 633 CB ASP A 668 -2.269 45.392 8.322 1.00 62.82 C ATOM 634 CG ASP A 668 -3.561 45.945 7.733 1.00 67.66 C ATOM 635 OD1 ASP A 668 -4.312 46.643 8.452 1.00 69.11 O ATOM 636 OD2 ASP A 668 -3.826 45.693 6.540 1.00 73.15 O ATOM 637 H ASP A 668 -1.485 47.844 8.536 1.00 0.00 H ATOM 638 N PHE A 669 0.425 45.541 9.914 1.00 53.45 N ATOM 639 CA PHE A 669 1.571 44.860 10.459 1.00 50.59 C ATOM 640 C PHE A 669 1.732 45.165 11.962 1.00 50.18 C ATOM 641 O PHE A 669 1.904 44.243 12.767 1.00 47.81 O ATOM 642 CB PHE A 669 2.805 45.279 9.679 1.00 51.74 C ATOM 643 CG PHE A 669 4.003 44.436 9.955 1.00 50.06 C ATOM 644 CD1 PHE A 669 4.871 44.763 10.989 1.00 48.17 C ATOM 645 CD2 PHE A 669 4.271 43.317 9.175 1.00 49.10 C ATOM 646 CE1 PHE A 669 5.982 43.992 11.240 1.00 48.61 C ATOM 647 CE2 PHE A 669 5.395 42.545 9.415 1.00 47.95 C ATOM 648 CZ PHE A 669 6.248 42.885 10.456 1.00 47.81 C ATOM 649 H PHE A 669 0.563 46.273 9.188 1.00 0.00 H ATOM 650 N LEU A 670 1.662 46.445 12.337 1.00 49.73 N ATOM 651 CA LEU A 670 1.733 46.838 13.757 1.00 50.07 C ATOM 652 C LEU A 670 0.568 46.318 14.600 1.00 49.27 C ATOM 653 O LEU A 670 0.749 46.063 15.775 1.00 49.32 O ATOM 654 CB LEU A 670 1.849 48.363 13.929 1.00 52.05 C ATOM 655 CG LEU A 670 3.196 49.000 13.535 1.00 53.88 C ATOM 656 CD1 LEU A 670 3.095 50.524 13.471 1.00 57.12 C ATOM 657 CD2 LEU A 670 4.307 48.570 14.489 1.00 52.45 C ATOM 658 H LEU A 670 1.555 47.182 11.611 1.00 0.00 H ATOM 659 N LYS A 671 -0.618 46.162 14.006 1.00 49.55 N ATOM 660 CA LYS A 671 -1.740 45.525 14.685 1.00 48.25 C ATOM 661 C LYS A 671 -1.384 44.064 15.001 1.00 46.99 C ATOM 662 O LYS A 671 -1.671 43.569 16.088 1.00 46.80 O ATOM 663 CB LYS A 671 -3.018 45.589 13.828 1.00 48.95 C ATOM 664 H LYS A 671 -0.745 46.504 13.032 1.00 0.00 H ATOM 665 N GLU A 672 -0.753 43.379 14.051 1.00 45.31 N ATOM 666 CA GLU A 672 -0.358 41.988 14.252 1.00 44.18 C ATOM 667 C GLU A 672 0.720 41.868 15.329 1.00 43.54 C ATOM 668 O GLU A 672 0.734 40.911 16.099 1.00 42.64 O ATOM 669 CB GLU A 672 0.119 41.355 12.938 1.00 44.60 C ATOM 670 CG GLU A 672 0.407 39.870 13.074 1.00 46.76 C ATOM 671 CD GLU A 672 0.909 39.213 11.798 1.00 48.94 C ATOM 672 OE1 GLU A 672 0.508 39.645 10.687 1.00 51.95 O ATOM 673 OE2 GLU A 672 1.705 38.250 11.925 1.00 46.00 O ATOM 674 H GLU A 672 -0.537 43.844 13.146 1.00 0.00 H ATOM 675 N VAL A 673 1.641 42.832 15.381 1.00 43.97 N ATOM 676 CA VAL A 673 2.620 42.884 16.472 1.00 43.53 C ATOM 677 C VAL A 673 1.926 42.947 17.839 1.00 45.36 C ATOM 678 O VAL A 673 2.275 42.200 18.760 1.00 44.50 O ATOM 679 CB VAL A 673 3.570 44.100 16.350 1.00 43.83 C ATOM 680 CG1 VAL A 673 4.322 44.339 17.659 1.00 44.59 C ATOM 681 CG2 VAL A 673 4.548 43.902 15.207 1.00 43.45 C ATOM 682 H VAL A 673 1.665 43.558 14.636 1.00 0.00 H ATOM 683 N LYS A 674 0.974 43.866 17.976 1.00 47.30 N ATOM 684 CA LYS A 674 0.284 44.052 19.259 1.00 50.50 C ATOM 685 C LYS A 674 -0.434 42.743 19.653 1.00 51.42 C ATOM 686 O LYS A 674 -0.300 42.270 20.782 1.00 51.44 O ATOM 687 CB LYS A 674 -0.705 45.218 19.184 1.00 52.01 C ATOM 688 CG LYS A 674 -0.061 46.596 19.327 1.00 54.99 C ATOM 689 H LYS A 674 0.715 44.461 17.163 1.00 0.00 H ATOM 690 N ILE A 675 -1.170 42.168 18.701 1.00 50.12 N ATOM 691 CA ILE A 675 -1.831 40.863 18.882 1.00 52.27 C ATOM 692 C ILE A 675 -0.855 39.756 19.305 1.00 50.93 C ATOM 693 O ILE A 675 -1.082 39.087 20.308 1.00 52.79 O ATOM 694 CB ILE A 675 -2.568 40.434 17.600 1.00 51.87 C ATOM 695 CG1 ILE A 675 -3.829 41.296 17.418 1.00 54.32 C ATOM 696 CG2 ILE A 675 -2.951 38.966 17.670 1.00 53.42 C ATOM 697 CD1 ILE A 675 -4.593 41.027 16.128 1.00 54.30 C ATOM 698 H ILE A 675 -1.282 42.661 17.792 1.00 0.00 H ATOM 699 N MET A 676 0.221 39.584 18.539 1.00 48.15 N ATOM 700 CA MET A 676 1.242 38.587 18.838 1.00 49.83 C ATOM 701 C MET A 676 1.846 38.764 20.235 1.00 51.83 C ATOM 702 O MET A 676 2.097 37.775 20.928 1.00 51.39 O ATOM 703 CB MET A 676 2.363 38.613 17.782 1.00 50.85 C ATOM 704 CG MET A 676 2.015 37.973 16.443 1.00 52.28 C ATOM 705 SD MET A 676 1.434 36.273 16.605 1.00 58.74 S ATOM 706 CE MET A 676 2.992 35.485 17.003 1.00 58.13 C ATOM 707 H MET A 676 0.337 40.183 17.697 1.00 0.00 H ATOM 708 N SER A 677 2.063 40.012 20.654 1.00 50.93 N ATOM 709 CA SER A 677 2.646 40.280 21.966 1.00 54.01 C ATOM 710 C SER A 677 1.759 39.770 23.102 1.00 55.63 C ATOM 711 O SER A 677 2.256 39.374 24.137 1.00 56.41 O ATOM 712 CB SER A 677 2.934 41.774 22.139 1.00 54.51 C ATOM 713 OG SER A 677 3.909 42.200 21.204 1.00 53.05 O ATOM 714 HG SER A 677 3.576 42.039 20.286 1.00 0.00 H ATOM 715 H SER A 677 1.812 40.809 20.035 1.00 0.00 H ATOM 716 N ARG A 678 0.451 39.758 22.885 1.00 51.47 N ATOM 717 CA ARG A 678 -0.492 39.262 23.890 1.00 57.00 C ATOM 718 C ARG A 678 -0.500 37.727 23.968 1.00 55.46 C ATOM 719 O ARG A 678 -0.494 37.169 25.062 1.00 58.61 O ATOM 720 CB ARG A 678 -1.922 39.760 23.638 1.00 58.42 C ATOM 721 CG ARG A 678 -2.033 41.240 23.313 1.00 63.48 C ATOM 722 CD ARG A 678 -3.464 41.642 22.953 1.00 67.10 C ATOM 723 NE ARG A 678 -4.362 41.507 24.102 1.00 72.20 N ATOM 724 CZ ARG A 678 -5.694 41.539 24.052 1.00 71.92 C ATOM 725 NH1 ARG A 678 -6.327 41.699 22.896 1.00 70.69 N ATOM 726 NH2 ARG A 678 -6.397 41.402 25.175 1.00 73.48 N ATOM 727 HE ARG A 678 -3.924 41.375 25.036 1.00 0.00 H ATOM 728 HH12 ARG A 678 -7.366 41.722 22.871 1.00 0.00 H ATOM 729 HH11 ARG A 678 -5.783 41.801 22.015 1.00 0.00 H ATOM 730 HH22 ARG A 678 -7.436 41.426 25.144 1.00 0.00 H ATOM 731 HH21 ARG A 678 -5.907 41.271 26.083 1.00 0.00 H ATOM 732 H ARG A 678 0.085 40.110 21.977 1.00 0.00 H ATOM 733 N LEU A 679 -0.496 37.054 22.821 1.00 51.94 N ATOM 734 CA LEU A 679 -0.711 35.597 22.791 1.00 52.05 C ATOM 735 C LEU A 679 0.407 34.822 23.487 1.00 50.87 C ATOM 736 O LEU A 679 1.495 34.683 22.973 1.00 48.52 O ATOM 737 CB LEU A 679 -0.906 35.071 21.359 1.00 51.20 C ATOM 738 CG LEU A 679 -1.955 35.835 20.522 1.00 52.07 C ATOM 739 CD1 LEU A 679 -1.992 35.353 19.085 1.00 51.08 C ATOM 740 CD2 LEU A 679 -3.337 35.789 21.142 1.00 52.89 C ATOM 741 H LEU A 679 -0.338 37.565 21.929 1.00 0.00 H ATOM 742 N LYS A 680 0.110 34.325 24.676 1.00 52.21 N ATOM 743 CA LYS A 680 1.040 33.500 25.423 1.00 53.24 C ATOM 744 C LYS A 680 0.274 32.255 25.831 1.00 51.90 C ATOM 745 O LYS A 680 -0.532 32.288 26.755 1.00 56.71 O ATOM 746 CB LYS A 680 1.553 34.261 26.656 1.00 55.80 C ATOM 747 CG LYS A 680 2.143 35.629 26.330 1.00 55.76 C ATOM 748 H LYS A 680 -0.822 34.533 25.089 1.00 0.00 H ATOM 749 N ASP A 681 0.505 31.167 25.114 1.00 48.45 N ATOM 750 CA ASP A 681 -0.216 29.923 25.334 1.00 47.47 C ATOM 751 C ASP A 681 0.600 28.822 24.671 1.00 45.86 C ATOM 752 O ASP A 681 1.179 29.056 23.611 1.00 44.12 O ATOM 753 CB ASP A 681 -1.620 30.009 24.740 1.00 45.66 C ATOM 754 CG ASP A 681 -2.431 28.704 24.910 1.00 47.56 C ATOM 755 OD1 ASP A 681 -2.341 27.805 24.036 1.00 46.72 O ATOM 756 OD2 ASP A 681 -3.172 28.577 25.903 1.00 47.00 O ATOM 757 H ASP A 681 1.228 31.203 24.367 1.00 0.00 H ATOM 758 N PRO A 682 0.660 27.624 25.287 1.00 46.39 N ATOM 759 CA PRO A 682 1.455 26.512 24.751 1.00 46.49 C ATOM 760 C PRO A 682 1.153 26.107 23.301 1.00 44.39 C ATOM 761 O PRO A 682 2.030 25.547 22.630 1.00 42.90 O ATOM 762 CB PRO A 682 1.099 25.344 25.687 1.00 48.80 C ATOM 763 CG PRO A 682 0.747 25.984 26.960 1.00 50.34 C ATOM 764 CD PRO A 682 0.115 27.305 26.620 1.00 49.23 C ATOM 765 N ASN A 683 -0.067 26.377 22.833 1.00 42.58 N ATOM 766 CA ASN A 683 -0.498 25.956 21.495 1.00 39.51 C ATOM 767 C ASN A 683 -0.728 27.104 20.518 1.00 39.39 C ATOM 768 O ASN A 683 -1.456 26.963 19.541 1.00 38.39 O ATOM 769 CB ASN A 683 -1.715 25.056 21.631 1.00 39.06 C ATOM 770 CG ASN A 683 -1.415 23.829 22.491 1.00 40.50 C ATOM 771 OD1 ASN A 683 -2.040 23.623 23.544 1.00 41.42 O ATOM 772 ND2 ASN A 683 -0.402 23.038 22.077 1.00 38.22 N ATOM 773 HD22 ASN A 683 0.093 23.250 21.187 1.00 0.00 H ATOM 774 HD21 ASN A 683 -0.117 22.217 22.648 1.00 0.00 H ATOM 775 H ASN A 683 -0.733 26.902 23.435 1.00 0.00 H ATOM 776 N ILE A 684 -0.073 28.237 20.774 1.00 41.11 N ATOM 777 CA ILE A 684 -0.058 29.355 19.838 1.00 41.17 C ATOM 778 C ILE A 684 1.398 29.689 19.600 1.00 41.36 C ATOM 779 O ILE A 684 2.173 29.713 20.532 1.00 40.96 O ATOM 780 CB ILE A 684 -0.699 30.632 20.420 1.00 42.58 C ATOM 781 CG1 ILE A 684 -2.049 30.341 21.070 1.00 42.58 C ATOM 782 CG2 ILE A 684 -0.839 31.709 19.347 1.00 41.56 C ATOM 783 CD1 ILE A 684 -3.137 30.054 20.099 1.00 42.86 C ATOM 784 H ILE A 684 0.445 28.326 21.672 1.00 0.00 H ATOM 785 N ILE A 685 1.772 29.919 18.349 1.00 41.54 N ATOM 786 CA ILE A 685 3.112 30.393 18.030 1.00 42.12 C ATOM 787 C ILE A 685 3.448 31.566 18.969 1.00 42.79 C ATOM 788 O ILE A 685 2.594 32.401 19.261 1.00 44.03 O ATOM 789 CB ILE A 685 3.202 30.795 16.538 1.00 43.78 C ATOM 790 CG1 ILE A 685 4.633 31.138 16.115 1.00 46.17 C ATOM 791 CG2 ILE A 685 2.285 31.965 16.223 1.00 42.90 C ATOM 792 CD1 ILE A 685 5.585 29.969 16.201 1.00 49.97 C ATOM 793 H ILE A 685 1.093 29.757 17.578 1.00 0.00 H ATOM 794 N ARG A 686 4.674 31.605 19.468 1.00 43.11 N ATOM 795 CA ARG A 686 5.081 32.615 20.454 1.00 45.79 C ATOM 796 C ARG A 686 5.951 33.728 19.841 1.00 43.63 C ATOM 797 O ARG A 686 6.915 33.459 19.163 1.00 44.80 O ATOM 798 CB ARG A 686 5.873 31.938 21.579 1.00 48.86 C ATOM 799 CG ARG A 686 6.111 32.823 22.790 1.00 54.14 C ATOM 800 CD ARG A 686 7.300 32.333 23.623 1.00 58.88 C ATOM 801 H ARG A 686 5.370 30.899 19.152 1.00 0.00 H ATOM 802 N LEU A 687 5.625 34.973 20.130 1.00 45.04 N ATOM 803 CA LEU A 687 6.485 36.104 19.790 1.00 46.59 C ATOM 804 C LEU A 687 7.712 36.169 20.721 1.00 46.14 C ATOM 805 O LEU A 687 7.575 36.398 21.919 1.00 46.91 O ATOM 806 CB LEU A 687 5.682 37.407 19.881 1.00 47.58 C ATOM 807 CG LEU A 687 6.324 38.674 19.302 1.00 48.10 C ATOM 808 CD1 LEU A 687 6.480 38.584 17.786 1.00 46.40 C ATOM 809 CD2 LEU A 687 5.504 39.889 19.690 1.00 47.83 C ATOM 810 H LEU A 687 4.724 35.156 20.617 1.00 0.00 H ATOM 811 N LEU A 688 8.906 35.949 20.169 1.00 44.81 N ATOM 812 CA LEU A 688 10.141 36.085 20.944 1.00 46.50 C ATOM 813 C LEU A 688 10.602 37.524 21.048 1.00 45.34 C ATOM 814 O LEU A 688 11.257 37.882 22.000 1.00 46.67 O ATOM 815 CB LEU A 688 11.270 35.266 20.328 1.00 46.66 C ATOM 816 CG LEU A 688 10.958 33.801 20.118 1.00 47.33 C ATOM 817 CD1 LEU A 688 12.141 33.118 19.440 1.00 47.75 C ATOM 818 CD2 LEU A 688 10.596 33.148 21.449 1.00 48.94 C ATOM 819 H LEU A 688 8.961 35.675 19.167 1.00 0.00 H ATOM 820 N GLY A 689 10.284 38.339 20.052 1.00 44.18 N ATOM 821 CA GLY A 689 10.726 39.723 20.038 1.00 43.19 C ATOM 822 C GLY A 689 10.300 40.483 18.799 1.00 43.73 C ATOM 823 O GLY A 689 9.680 39.929 17.874 1.00 42.98 O ATOM 824 H GLY A 689 9.707 37.981 19.265 1.00 0.00 H ATOM 825 N VAL A 690 10.608 41.774 18.790 1.00 44.13 N ATOM 826 CA VAL A 690 10.283 42.629 17.666 1.00 44.45 C ATOM 827 C VAL A 690 11.454 43.555 17.365 1.00 45.61 C ATOM 828 O VAL A 690 12.367 43.720 18.173 1.00 43.78 O ATOM 829 CB VAL A 690 9.049 43.513 17.952 1.00 46.52 C ATOM 830 CG1 VAL A 690 7.810 42.671 18.202 1.00 46.89 C ATOM 831 CG2 VAL A 690 9.295 44.426 19.149 1.00 47.84 C ATOM 832 H VAL A 690 11.096 42.183 19.612 1.00 0.00 H ATOM 833 N CYS A 691 11.391 44.163 16.191 1.00 47.83 N ATOM 834 CA CYS A 691 12.269 45.270 15.815 1.00 50.43 C ATOM 835 C CYS A 691 11.369 46.345 15.231 1.00 50.69 C ATOM 836 O CYS A 691 11.018 46.277 14.063 1.00 50.43 O ATOM 837 CB CYS A 691 13.297 44.819 14.781 1.00 50.31 C ATOM 838 SG CYS A 691 14.245 43.385 15.299 1.00 52.74 S ATOM 839 H CYS A 691 10.683 43.838 15.503 1.00 0.00 H ATOM 840 N VAL A 692 10.963 47.311 16.046 1.00 52.19 N ATOM 841 CA VAL A 692 10.039 48.351 15.577 1.00 54.37 C ATOM 842 C VAL A 692 10.576 49.779 15.595 1.00 56.99 C ATOM 843 O VAL A 692 10.003 50.629 14.922 1.00 56.65 O ATOM 844 CB VAL A 692 8.663 48.310 16.300 1.00 54.15 C ATOM 845 CG1 VAL A 692 7.823 47.168 15.772 1.00 52.90 C ATOM 846 CG2 VAL A 692 8.808 48.217 17.810 1.00 54.00 C ATOM 847 H VAL A 692 11.304 47.331 17.028 1.00 0.00 H ATOM 848 N GLN A 693 11.655 50.057 16.329 1.00 59.93 N ATOM 849 CA GLN A 693 12.222 51.417 16.332 1.00 64.23 C ATOM 850 C GLN A 693 12.516 51.915 14.930 1.00 65.17 C ATOM 851 O GLN A 693 12.101 52.998 14.567 1.00 67.85 O ATOM 852 CB GLN A 693 13.518 51.522 17.151 1.00 65.87 C ATOM 853 CG GLN A 693 13.332 51.740 18.638 1.00 67.52 C ATOM 854 CD GLN A 693 12.191 52.681 18.970 1.00 69.58 C ATOM 855 OE1 GLN A 693 11.147 52.249 19.437 1.00 67.10 O ATOM 856 NE2 GLN A 693 12.375 53.970 18.703 1.00 73.87 N ATOM 857 HE22 GLN A 693 13.280 54.295 18.306 1.00 0.00 H ATOM 858 HE21 GLN A 693 11.614 54.654 18.891 1.00 0.00 H ATOM 859 H GLN A 693 12.098 49.310 16.902 1.00 0.00 H ATOM 860 N ASP A 694 13.267 51.138 14.165 1.00 64.98 N ATOM 861 CA ASP A 694 13.608 51.495 12.791 1.00 67.39 C ATOM 862 C ASP A 694 12.841 50.606 11.833 1.00 65.26 C ATOM 863 O ASP A 694 12.323 49.546 12.217 1.00 63.88 O ATOM 864 CB ASP A 694 15.100 51.272 12.502 1.00 71.98 C ATOM 865 CG ASP A 694 16.007 51.792 13.598 1.00 76.21 C ATOM 866 OD1 ASP A 694 15.719 52.870 14.164 1.00 80.91 O ATOM 867 OD2 ASP A 694 17.025 51.117 13.879 1.00 76.81 O ATOM 868 H ASP A 694 13.626 50.244 14.556 1.00 0.00 H ATOM 869 N ASP A 695 12.783 51.035 10.579 1.00 64.63 N ATOM 870 CA ASP A 695 12.372 50.155 9.508 1.00 64.23 C ATOM 871 C ASP A 695 13.584 49.313 9.193 1.00 63.53 C ATOM 872 O ASP A 695 14.703 49.752 9.430 1.00 63.91 O ATOM 873 CB ASP A 695 11.953 50.939 8.279 1.00 65.62 C ATOM 874 CG ASP A 695 10.723 51.767 8.516 1.00 67.42 C ATOM 875 OD1 ASP A 695 9.896 51.390 9.379 1.00 64.31 O ATOM 876 OD2 ASP A 695 10.590 52.803 7.834 1.00 70.36 O ATOM 877 H ASP A 695 13.037 52.020 10.363 1.00 0.00 H ATOM 878 N PRO A 696 13.377 48.089 8.688 1.00 61.79 N ATOM 879 CA PRO A 696 12.108 47.399 8.467 1.00 59.78 C ATOM 880 C PRO A 696 11.498 46.832 9.743 1.00 55.95 C ATOM 881 O PRO A 696 12.211 46.308 10.596 1.00 55.54 O ATOM 882 CB PRO A 696 12.510 46.245 7.560 1.00 60.78 C ATOM 883 CG PRO A 696 13.899 45.929 8.004 1.00 61.64 C ATOM 884 CD PRO A 696 14.518 47.277 8.231 1.00 61.80 C ATOM 885 N LEU A 697 10.182 46.911 9.861 1.00 53.65 N ATOM 886 CA LEU A 697 9.501 46.348 11.027 1.00 51.48 C ATOM 887 C LEU A 697 9.653 44.843 10.967 1.00 49.45 C ATOM 888 O LEU A 697 9.598 44.270 9.877 1.00 50.01 O ATOM 889 CB LEU A 697 8.020 46.742 11.068 1.00 50.40 C ATOM 890 CG LEU A 697 7.694 48.238 10.985 1.00 52.06 C ATOM 891 CD1 LEU A 697 6.187 48.452 10.981 1.00 53.08 C ATOM 892 CD2 LEU A 697 8.318 49.015 12.133 1.00 53.43 C ATOM 893 H LEU A 697 9.626 47.378 9.117 1.00 0.00 H ATOM 894 N CYS A 698 9.875 44.221 12.128 1.00 47.49 N ATOM 895 CA CYS A 698 10.065 42.779 12.230 1.00 47.35 C ATOM 896 C CYS A 698 9.319 42.166 13.406 1.00 45.95 C ATOM 897 O CYS A 698 9.151 42.796 14.462 1.00 45.19 O ATOM 898 CB CYS A 698 11.554 42.423 12.393 1.00 49.21 C ATOM 899 SG CYS A 698 12.601 43.044 11.074 1.00 52.27 S ATOM 900 H CYS A 698 9.914 44.790 12.997 1.00 0.00 H ATOM 901 N MET A 699 8.908 40.920 13.200 1.00 43.42 N ATOM 902 CA MET A 699 8.392 40.053 14.245 1.00 43.78 C ATOM 903 C MET A 699 9.219 38.773 14.225 1.00 42.97 C ATOM 904 O MET A 699 9.414 38.167 13.165 1.00 41.53 O ATOM 905 CB MET A 699 6.943 39.701 13.972 1.00 44.59 C ATOM 906 CG MET A 699 5.961 40.749 14.440 1.00 46.66 C ATOM 907 SD MET A 699 4.252 40.238 14.161 1.00 45.49 S ATOM 908 CE MET A 699 4.211 40.402 12.379 1.00 45.19 C ATOM 909 H MET A 699 8.959 40.542 12.232 1.00 0.00 H ATOM 910 N ILE A 700 9.712 38.381 15.392 1.00 42.51 N ATOM 911 CA ILE A 700 10.566 37.215 15.530 1.00 42.53 C ATOM 912 C ILE A 700 9.858 36.147 16.346 1.00 42.15 C ATOM 913 O ILE A 700 9.444 36.418 17.457 1.00 42.17 O ATOM 914 CB ILE A 700 11.886 37.579 16.228 1.00 42.77 C ATOM 915 CG1 ILE A 700 12.587 38.717 15.484 1.00 44.60 C ATOM 916 CG2 ILE A 700 12.821 36.378 16.279 1.00 43.04 C ATOM 917 CD1 ILE A 700 13.369 39.612 16.396 1.00 46.44 C ATOM 918 H ILE A 700 9.477 38.931 16.243 1.00 0.00 H ATOM 919 N THR A 701 9.749 34.933 15.789 1.00 42.58 N ATOM 920 CA THR A 701 9.121 33.805 16.478 1.00 41.30 C ATOM 921 C THR A 701 10.067 32.613 16.605 1.00 43.94 C ATOM 922 O THR A 701 11.119 32.546 15.960 1.00 41.28 O ATOM 923 CB THR A 701 7.843 33.320 15.764 1.00 40.25 C ATOM 924 OG1 THR A 701 8.156 32.908 14.425 1.00 40.53 O ATOM 925 CG2 THR A 701 6.797 34.399 15.700 1.00 41.21 C ATOM 926 HG1 THR A 701 8.814 32.169 14.454 1.00 0.00 H ATOM 927 H THR A 701 10.125 34.787 14.830 1.00 0.00 H ATOM 928 N ASP A 702 9.666 31.678 17.463 1.00 44.84 N ATOM 929 CA ASP A 702 10.264 30.349 17.532 1.00 49.48 C ATOM 930 C ASP A 702 10.208 29.655 16.161 1.00 46.74 C ATOM 931 O ASP A 702 9.289 29.881 15.385 1.00 44.92 O ATOM 932 CB ASP A 702 9.557 29.509 18.629 1.00 56.00 C ATOM 933 CG ASP A 702 8.074 29.925 18.841 1.00 61.24 C ATOM 934 OD1 ASP A 702 7.690 30.981 18.298 1.00 67.77 O ATOM 935 OD2 ASP A 702 7.290 29.215 19.521 1.00 63.20 O ATOM 936 H ASP A 702 8.889 31.906 18.116 1.00 0.00 H ATOM 937 N TYR A 703 11.216 28.851 15.854 1.00 47.90 N ATOM 938 CA TYR A 703 11.247 28.094 14.614 1.00 49.26 C ATOM 939 C TYR A 703 10.965 26.610 14.873 1.00 49.17 C ATOM 940 O TYR A 703 11.676 25.981 15.637 1.00 52.67 O ATOM 941 CB TYR A 703 12.599 28.223 13.934 1.00 50.80 C ATOM 942 CG TYR A 703 12.652 27.447 12.649 1.00 51.38 C ATOM 943 CD1 TYR A 703 11.822 27.780 11.584 1.00 50.91 C ATOM 944 CD2 TYR A 703 13.505 26.361 12.503 1.00 54.72 C ATOM 945 CE1 TYR A 703 11.855 27.066 10.404 1.00 51.72 C ATOM 946 CE2 TYR A 703 13.544 25.643 11.326 1.00 55.26 C ATOM 947 CZ TYR A 703 12.718 26.001 10.286 1.00 53.86 C ATOM 948 OH TYR A 703 12.761 25.285 9.120 1.00 58.94 O ATOM 949 HH TYR A 703 12.112 25.665 8.476 1.00 0.00 H ATOM 950 H TYR A 703 12.009 28.759 16.521 1.00 0.00 H ATOM 951 N MET A 704 9.957 26.059 14.206 1.00 49.52 N ATOM 952 CA MET A 704 9.539 24.667 14.410 1.00 50.84 C ATOM 953 C MET A 704 10.113 23.844 13.293 1.00 50.37 C ATOM 954 O MET A 704 9.692 23.956 12.152 1.00 51.84 O ATOM 955 CB MET A 704 8.020 24.536 14.384 1.00 53.36 C ATOM 956 CG MET A 704 7.300 25.645 15.117 1.00 58.14 C ATOM 957 SD MET A 704 7.555 25.559 16.888 1.00 68.95 S ATOM 958 CE MET A 704 7.044 27.219 17.274 1.00 65.47 C ATOM 959 H MET A 704 9.443 26.637 13.511 1.00 0.00 H ATOM 960 N GLU A 705 11.057 22.989 13.627 1.00 52.54 N ATOM 961 CA GLU A 705 11.808 22.259 12.629 1.00 55.26 C ATOM 962 C GLU A 705 11.023 21.147 11.954 1.00 52.99 C ATOM 963 O GLU A 705 11.426 20.685 10.898 1.00 54.73 O ATOM 964 CB GLU A 705 13.097 21.731 13.258 1.00 60.66 C ATOM 965 CG GLU A 705 14.021 22.887 13.616 1.00 65.05 C ATOM 966 CD GLU A 705 15.189 22.512 14.505 1.00 71.24 C ATOM 967 OE1 GLU A 705 15.335 21.320 14.844 1.00 75.04 O ATOM 968 OE2 GLU A 705 15.966 23.430 14.863 1.00 76.44 O ATOM 969 H GLU A 705 11.268 22.835 14.634 1.00 0.00 H ATOM 970 N ASN A 706 9.902 20.722 12.532 1.00 49.74 N ATOM 971 CA ASN A 706 9.109 19.648 11.918 1.00 50.13 C ATOM 972 C ASN A 706 8.095 20.146 10.888 1.00 48.79 C ATOM 973 O ASN A 706 7.339 19.357 10.319 1.00 51.01 O ATOM 974 CB ASN A 706 8.440 18.788 12.996 1.00 48.28 C ATOM 975 CG ASN A 706 9.450 18.005 13.811 1.00 50.02 C ATOM 976 OD1 ASN A 706 9.527 18.133 15.032 1.00 52.33 O ATOM 977 ND2 ASN A 706 10.249 17.222 13.138 1.00 50.52 N ATOM 978 HD22 ASN A 706 10.151 17.142 12.106 1.00 0.00 H ATOM 979 HD21 ASN A 706 10.984 16.678 13.634 1.00 0.00 H ATOM 980 H ASN A 706 9.585 21.153 13.424 1.00 0.00 H ATOM 981 N GLY A 707 8.081 21.456 10.655 1.00 47.29 N ATOM 982 CA GLY A 707 7.246 22.041 9.610 1.00 44.91 C ATOM 983 C GLY A 707 5.776 22.069 9.978 1.00 41.71 C ATOM 984 O GLY A 707 5.417 21.974 11.148 1.00 38.26 O ATOM 985 H GLY A 707 8.681 22.079 11.232 1.00 0.00 H ATOM 986 N ASP A 708 4.919 22.203 8.973 1.00 40.02 N ATOM 987 CA ASP A 708 3.513 22.408 9.247 1.00 40.20 C ATOM 988 C ASP A 708 2.832 21.045 9.463 1.00 38.51 C ATOM 989 O ASP A 708 3.367 20.017 9.085 1.00 36.93 O ATOM 990 CB ASP A 708 2.834 23.317 8.174 1.00 42.04 C ATOM 991 CG ASP A 708 2.475 22.581 6.896 1.00 43.05 C ATOM 992 OD1 ASP A 708 1.932 21.452 6.965 1.00 45.93 O ATOM 993 OD2 ASP A 708 2.709 23.147 5.812 1.00 44.01 O ATOM 994 H ASP A 708 5.258 22.161 7.991 1.00 0.00 H ATOM 995 N LEU A 709 1.670 21.059 10.105 1.00 37.46 N ATOM 996 CA LEU A 709 0.989 19.825 10.513 1.00 37.25 C ATOM 997 C LEU A 709 0.613 18.959 9.309 1.00 36.11 C ATOM 998 O LEU A 709 0.662 17.744 9.373 1.00 38.33 O ATOM 999 CB LEU A 709 -0.268 20.173 11.342 1.00 36.73 C ATOM 1000 CG LEU A 709 -1.106 19.012 11.894 1.00 35.42 C ATOM 1001 CD1 LEU A 709 -0.215 18.027 12.629 1.00 36.92 C ATOM 1002 CD2 LEU A 709 -2.179 19.531 12.830 1.00 35.06 C ATOM 1003 H LEU A 709 1.228 21.974 10.326 1.00 0.00 H ATOM 1004 N ASN A 710 0.252 19.599 8.211 1.00 36.35 N ATOM 1005 CA ASN A 710 -0.116 18.893 6.997 1.00 38.73 C ATOM 1006 C ASN A 710 1.082 18.121 6.415 1.00 40.46 C ATOM 1007 O ASN A 710 0.958 16.938 6.107 1.00 40.33 O ATOM 1008 CB ASN A 710 -0.689 19.872 5.992 1.00 39.48 C ATOM 1009 CG ASN A 710 -1.281 19.192 4.777 1.00 41.46 C ATOM 1010 OD1 ASN A 710 -0.648 18.338 4.147 1.00 43.15 O ATOM 1011 ND2 ASN A 710 -2.495 19.592 4.418 1.00 41.73 N ATOM 1012 HD22 ASN A 710 -2.991 20.314 4.978 1.00 0.00 H ATOM 1013 HD21 ASN A 710 -2.950 19.183 3.577 1.00 0.00 H ATOM 1014 H ASN A 710 0.231 20.639 8.217 1.00 0.00 H ATOM 1015 N GLN A 711 2.219 18.801 6.268 1.00 40.02 N ATOM 1016 CA GLN A 711 3.469 18.159 5.866 1.00 43.34 C ATOM 1017 C GLN A 711 3.795 16.992 6.801 1.00 42.47 C ATOM 1018 O GLN A 711 4.052 15.891 6.356 1.00 43.53 O ATOM 1019 CB GLN A 711 4.636 19.158 5.922 1.00 46.17 C ATOM 1020 CG GLN A 711 4.599 20.254 4.875 1.00 48.32 C ATOM 1021 CD GLN A 711 5.695 21.308 5.071 1.00 53.25 C ATOM 1022 OE1 GLN A 711 5.863 21.896 6.164 1.00 52.12 O ATOM 1023 NE2 GLN A 711 6.421 21.588 3.994 1.00 55.86 N ATOM 1024 HE22 GLN A 711 6.250 21.077 3.105 1.00 0.00 H ATOM 1025 HE21 GLN A 711 7.160 22.318 4.040 1.00 0.00 H ATOM 1026 H GLN A 711 2.217 19.826 6.446 1.00 0.00 H ATOM 1027 N PHE A 712 3.749 17.256 8.100 1.00 39.27 N ATOM 1028 CA PHE A 712 4.013 16.250 9.110 1.00 40.51 C ATOM 1029 C PHE A 712 3.123 15.006 9.028 1.00 40.97 C ATOM 1030 O PHE A 712 3.620 13.879 8.936 1.00 41.73 O ATOM 1031 CB PHE A 712 3.874 16.884 10.476 1.00 40.57 C ATOM 1032 CG PHE A 712 4.341 16.013 11.580 1.00 41.54 C ATOM 1033 CD1 PHE A 712 5.699 15.820 11.786 1.00 43.72 C ATOM 1034 CD2 PHE A 712 3.436 15.395 12.417 1.00 41.73 C ATOM 1035 CE1 PHE A 712 6.144 15.013 12.810 1.00 44.96 C ATOM 1036 CE2 PHE A 712 3.876 14.601 13.457 1.00 43.66 C ATOM 1037 CZ PHE A 712 5.231 14.417 13.655 1.00 44.86 C ATOM 1038 H PHE A 712 3.514 18.222 8.406 1.00 0.00 H ATOM 1039 N LEU A 713 1.815 15.203 9.025 1.00 38.91 N ATOM 1040 CA LEU A 713 0.905 14.058 8.958 1.00 41.11 C ATOM 1041 C LEU A 713 0.927 13.334 7.625 1.00 41.76 C ATOM 1042 O LEU A 713 0.743 12.123 7.590 1.00 41.20 O ATOM 1043 CB LEU A 713 -0.539 14.462 9.261 1.00 39.61 C ATOM 1044 CG LEU A 713 -0.769 14.924 10.702 1.00 40.47 C ATOM 1045 CD1 LEU A 713 -2.219 15.391 10.857 1.00 39.95 C ATOM 1046 CD2 LEU A 713 -0.445 13.796 11.662 1.00 40.91 C ATOM 1047 H LEU A 713 1.434 16.170 9.070 1.00 0.00 H ATOM 1048 N SER A 714 1.120 14.080 6.539 1.00 43.26 N ATOM 1049 CA SER A 714 1.254 13.481 5.202 1.00 46.73 C ATOM 1050 C SER A 714 2.409 12.487 5.144 1.00 47.72 C ATOM 1051 O SER A 714 2.334 11.527 4.398 1.00 50.36 O ATOM 1052 CB SER A 714 1.429 14.554 4.119 1.00 45.48 C ATOM 1053 OG SER A 714 0.319 15.444 4.140 1.00 45.75 O ATOM 1054 HG SER A 714 0.263 15.879 5.027 1.00 0.00 H ATOM 1055 H SER A 714 1.178 15.114 6.639 1.00 0.00 H ATOM 1056 N ALA A 715 3.457 12.709 5.939 1.00 48.98 N ATOM 1057 CA ALA A 715 4.611 11.789 5.986 1.00 51.13 C ATOM 1058 C ALA A 715 4.404 10.574 6.888 1.00 52.82 C ATOM 1059 O ALA A 715 5.251 9.681 6.940 1.00 55.17 O ATOM 1060 CB ALA A 715 5.860 12.540 6.420 1.00 51.33 C ATOM 1061 H ALA A 715 3.461 13.555 6.544 1.00 0.00 H ATOM 1062 N HIS A 716 3.285 10.527 7.608 1.00 52.80 N ATOM 1063 CA HIS A 716 3.036 9.423 8.530 1.00 52.37 C ATOM 1064 C HIS A 716 2.002 8.495 8.007 1.00 51.68 C ATOM 1065 O HIS A 716 1.303 8.821 7.064 1.00 50.83 O ATOM 1066 CB HIS A 716 2.585 9.950 9.885 1.00 51.70 C ATOM 1067 CG HIS A 716 3.706 10.419 10.736 1.00 50.95 C ATOM 1068 ND1 HIS A 716 4.356 11.614 10.511 1.00 50.05 N ATOM 1069 CD2 HIS A 716 4.312 9.848 11.806 1.00 51.82 C ATOM 1070 CE1 HIS A 716 5.318 11.758 11.409 1.00 51.10 C ATOM 1071 NE2 HIS A 716 5.311 10.700 12.204 1.00 52.22 N ATOM 1072 H HIS A 716 2.580 11.286 7.512 1.00 0.00 H ATOM 1073 N GLN A 717 1.923 7.318 8.612 1.00 53.54 N ATOM 1074 CA GLN A 717 0.789 6.424 8.386 1.00 54.37 C ATOM 1075 C GLN A 717 0.224 6.028 9.742 1.00 53.00 C ATOM 1076 O GLN A 717 0.894 6.154 10.770 1.00 54.15 O ATOM 1077 CB GLN A 717 1.186 5.198 7.548 1.00 56.96 C ATOM 1078 CG GLN A 717 2.240 4.320 8.195 1.00 61.45 C ATOM 1079 CD GLN A 717 3.030 3.508 7.182 1.00 65.76 C ATOM 1080 OE1 GLN A 717 2.483 2.637 6.519 1.00 66.77 O ATOM 1081 NE2 GLN A 717 4.324 3.792 7.068 1.00 67.87 N ATOM 1082 HE22 GLN A 717 4.745 4.541 7.653 1.00 0.00 H ATOM 1083 HE21 GLN A 717 4.915 3.265 6.394 1.00 0.00 H ATOM 1084 H GLN A 717 2.682 7.025 9.260 1.00 0.00 H ATOM 1085 N LEU A 718 -1.014 5.566 9.734 1.00 52.36 N ATOM 1086 CA LEU A 718 -1.722 5.224 10.942 1.00 54.39 C ATOM 1087 C LEU A 718 -1.215 3.919 11.544 1.00 58.00 C ATOM 1088 O LEU A 718 -1.044 2.942 10.828 1.00 56.96 O ATOM 1089 CB LEU A 718 -3.224 5.109 10.642 1.00 55.04 C ATOM 1090 CG LEU A 718 -4.122 4.887 11.860 1.00 56.17 C ATOM 1091 CD1 LEU A 718 -4.129 6.106 12.759 1.00 54.96 C ATOM 1092 CD2 LEU A 718 -5.536 4.532 11.416 1.00 58.22 C ATOM 1093 H LEU A 718 -1.496 5.444 8.821 1.00 0.00 H ATOM 1094 N GLU A 719 -0.999 3.916 12.859 1.00 60.99 N ATOM 1095 CA GLU A 719 -0.674 2.702 13.606 1.00 67.20 C ATOM 1096 C GLU A 719 -1.922 1.805 13.661 1.00 68.58 C ATOM 1097 O GLU A 719 -2.876 2.135 14.343 1.00 72.20 O ATOM 1098 CB GLU A 719 -0.185 3.065 15.025 1.00 67.85 C ATOM 1099 CG GLU A 719 0.412 1.887 15.789 1.00 71.17 C ATOM 1100 CD GLU A 719 0.837 2.211 17.216 1.00 72.16 C ATOM 1101 OE1 GLU A 719 1.128 3.386 17.535 1.00 71.23 O ATOM 1102 OE2 GLU A 719 0.907 1.261 18.025 1.00 76.06 O ATOM 1103 H GLU A 719 -1.064 4.816 13.376 1.00 0.00 H ATOM 1104 N ASP A 720 -1.911 0.689 12.932 1.00 73.15 N ATOM 1105 CA ASP A 720 -3.123 -0.125 12.686 1.00 75.55 C ATOM 1106 C ASP A 720 -3.746 -0.679 13.960 1.00 79.97 C ATOM 1107 O ASP A 720 -3.032 -1.116 14.862 1.00 85.75 O ATOM 1108 CB ASP A 720 -2.802 -1.299 11.754 1.00 78.36 C ATOM 1109 H ASP A 720 -1.010 0.376 12.517 1.00 0.00 H TER 1110 ASP A 720 ATOM 1111 N PRO A 736 6.696 6.222 8.823 1.00 57.70 N ATOM 1112 CA PRO A 736 6.663 6.273 10.280 1.00 58.52 C ATOM 1113 C PRO A 736 5.244 6.468 10.777 1.00 56.46 C ATOM 1114 O PRO A 736 4.461 7.178 10.154 1.00 58.44 O ATOM 1115 CB PRO A 736 7.529 7.490 10.625 1.00 59.19 C ATOM 1116 CG PRO A 736 7.573 8.298 9.376 1.00 58.92 C ATOM 1117 CD PRO A 736 7.546 7.282 8.269 1.00 59.61 C ATOM 1118 HN2 PRO A 736 5.729 6.338 8.458 1.00 0.00 H ATOM 1119 HN1 PRO A 736 7.069 5.298 8.525 1.00 0.00 H ATOM 1120 N THR A 737 4.929 5.844 11.900 1.00 54.32 N ATOM 1121 CA THR A 737 3.559 5.663 12.315 1.00 52.24 C ATOM 1122 C THR A 737 3.132 6.691 13.335 1.00 50.12 C ATOM 1123 O THR A 737 3.941 7.227 14.065 1.00 50.24 O ATOM 1124 CB THR A 737 3.341 4.276 12.932 1.00 52.40 C ATOM 1125 OG1 THR A 737 4.088 4.183 14.147 1.00 52.93 O ATOM 1126 CG2 THR A 737 3.771 3.164 11.958 1.00 53.26 C ATOM 1127 HG1 THR A 737 3.779 4.881 14.777 1.00 0.00 H ATOM 1128 H THR A 737 5.692 5.473 12.502 1.00 0.00 H ATOM 1129 N ILE A 738 1.837 6.947 13.365 1.00 49.06 N ATOM 1130 CA ILE A 738 1.226 7.794 14.374 1.00 48.02 C ATOM 1131 C ILE A 738 -0.057 7.098 14.841 1.00 46.60 C ATOM 1132 O ILE A 738 -0.790 6.534 14.038 1.00 47.70 O ATOM 1133 CB ILE A 738 0.974 9.233 13.837 1.00 48.03 C ATOM 1134 CG1 ILE A 738 0.485 10.150 14.959 1.00 46.77 C ATOM 1135 CG2 ILE A 738 0.005 9.247 12.651 1.00 46.95 C ATOM 1136 CD1 ILE A 738 0.804 11.600 14.706 1.00 46.69 C ATOM 1137 H ILE A 738 1.229 6.524 12.635 1.00 0.00 H ATOM 1138 N SER A 739 -0.299 7.118 16.145 1.00 45.24 N ATOM 1139 CA SER A 739 -1.441 6.436 16.739 1.00 43.72 C ATOM 1140 C SER A 739 -2.684 7.328 16.796 1.00 40.93 C ATOM 1141 O SER A 739 -2.595 8.535 16.723 1.00 38.52 O ATOM 1142 CB SER A 739 -1.070 5.959 18.148 1.00 44.90 C ATOM 1143 OG SER A 739 -0.965 7.044 19.039 1.00 43.68 O ATOM 1144 HG SER A 739 -0.725 6.708 19.939 1.00 0.00 H ATOM 1145 H SER A 739 0.351 7.640 16.767 1.00 0.00 H ATOM 1146 N TYR A 740 -3.844 6.698 16.898 1.00 41.22 N ATOM 1147 CA TYR A 740 -5.108 7.393 17.078 1.00 41.25 C ATOM 1148 C TYR A 740 -5.126 8.269 18.364 1.00 40.81 C ATOM 1149 O TYR A 740 -5.547 9.420 18.309 1.00 39.50 O ATOM 1150 CB TYR A 740 -6.287 6.396 17.007 1.00 41.27 C ATOM 1151 CG TYR A 740 -7.609 6.977 17.453 1.00 40.42 C ATOM 1152 CD1 TYR A 740 -8.290 7.921 16.686 1.00 40.62 C ATOM 1153 CD2 TYR A 740 -8.180 6.590 18.652 1.00 42.62 C ATOM 1154 CE1 TYR A 740 -9.502 8.467 17.114 1.00 38.09 C ATOM 1155 CE2 TYR A 740 -9.391 7.121 19.086 1.00 40.70 C ATOM 1156 CZ TYR A 740 -10.052 8.050 18.322 1.00 39.24 C ATOM 1157 OH TYR A 740 -11.260 8.568 18.789 1.00 38.83 O ATOM 1158 HH TYR A 740 -11.911 7.831 18.906 1.00 0.00 H ATOM 1159 H TYR A 740 -3.851 5.659 16.847 1.00 0.00 H ATOM 1160 N PRO A 741 -4.647 7.740 19.507 1.00 42.67 N ATOM 1161 CA PRO A 741 -4.552 8.607 20.685 1.00 42.88 C ATOM 1162 C PRO A 741 -3.731 9.870 20.422 1.00 42.11 C ATOM 1163 O PRO A 741 -4.120 10.948 20.861 1.00 40.85 O ATOM 1164 CB PRO A 741 -3.863 7.726 21.721 1.00 44.56 C ATOM 1165 CG PRO A 741 -4.227 6.334 21.320 1.00 45.83 C ATOM 1166 CD PRO A 741 -4.291 6.343 19.825 1.00 44.03 C ATOM 1167 N MET A 742 -2.638 9.738 19.677 1.00 42.63 N ATOM 1168 CA MET A 742 -1.802 10.891 19.338 1.00 43.05 C ATOM 1169 C MET A 742 -2.529 11.876 18.448 1.00 40.65 C ATOM 1170 O MET A 742 -2.379 13.088 18.613 1.00 40.93 O ATOM 1171 CB MET A 742 -0.518 10.466 18.636 1.00 46.42 C ATOM 1172 CG MET A 742 0.451 11.624 18.454 1.00 48.74 C ATOM 1173 SD MET A 742 0.814 12.467 20.017 1.00 55.49 S ATOM 1174 CE MET A 742 1.486 11.115 20.972 1.00 52.69 C ATOM 1175 H MET A 742 -2.371 8.796 19.328 1.00 0.00 H ATOM 1176 N LEU A 743 -3.311 11.363 17.503 1.00 37.97 N ATOM 1177 CA LEU A 743 -4.148 12.233 16.683 1.00 36.56 C ATOM 1178 C LEU A 743 -5.139 13.028 17.539 1.00 35.16 C ATOM 1179 O LEU A 743 -5.324 14.216 17.327 1.00 34.77 O ATOM 1180 CB LEU A 743 -4.889 11.431 15.601 1.00 36.44 C ATOM 1181 CG LEU A 743 -4.020 10.751 14.554 1.00 37.85 C ATOM 1182 CD1 LEU A 743 -4.830 9.813 13.686 1.00 40.08 C ATOM 1183 CD2 LEU A 743 -3.278 11.761 13.698 1.00 37.22 C ATOM 1184 H LEU A 743 -3.326 10.335 17.347 1.00 0.00 H ATOM 1185 N LEU A 744 -5.770 12.386 18.511 1.00 36.45 N ATOM 1186 CA LEU A 744 -6.679 13.095 19.425 1.00 35.95 C ATOM 1187 C LEU A 744 -5.938 14.150 20.220 1.00 36.64 C ATOM 1188 O LEU A 744 -6.487 15.222 20.521 1.00 36.43 O ATOM 1189 CB LEU A 744 -7.338 12.128 20.414 1.00 36.21 C ATOM 1190 CG LEU A 744 -8.265 11.042 19.859 1.00 36.86 C ATOM 1191 CD1 LEU A 744 -8.776 10.132 20.986 1.00 38.44 C ATOM 1192 CD2 LEU A 744 -9.425 11.655 19.111 1.00 36.47 C ATOM 1193 H LEU A 744 -5.620 11.364 18.630 1.00 0.00 H ATOM 1194 N HIS A 745 -4.714 13.822 20.625 1.00 38.04 N ATOM 1195 CA HIS A 745 -3.868 14.775 21.363 1.00 40.05 C ATOM 1196 C HIS A 745 -3.502 15.994 20.494 1.00 38.78 C ATOM 1197 O HIS A 745 -3.524 17.125 20.971 1.00 37.76 O ATOM 1198 CB HIS A 745 -2.611 14.071 21.896 1.00 43.30 C ATOM 1199 CG HIS A 745 -1.709 14.955 22.693 1.00 46.15 C ATOM 1200 ND1 HIS A 745 -2.168 15.767 23.711 1.00 47.25 N ATOM 1201 CD2 HIS A 745 -0.369 15.161 22.623 1.00 46.87 C ATOM 1202 CE1 HIS A 745 -1.149 16.428 24.239 1.00 46.54 C ATOM 1203 NE2 HIS A 745 -0.050 16.083 23.593 1.00 46.53 N ATOM 1204 H HIS A 745 -4.347 12.872 20.416 1.00 0.00 H ATOM 1205 N VAL A 746 -3.168 15.753 19.230 1.00 36.62 N ATOM 1206 CA VAL A 746 -2.960 16.846 18.259 1.00 37.61 C ATOM 1207 C VAL A 746 -4.191 17.787 18.178 1.00 37.65 C ATOM 1208 O VAL A 746 -4.069 18.995 18.366 1.00 37.79 O ATOM 1209 CB VAL A 746 -2.597 16.270 16.874 1.00 36.66 C ATOM 1210 CG1 VAL A 746 -2.818 17.272 15.752 1.00 34.93 C ATOM 1211 CG2 VAL A 746 -1.156 15.770 16.892 1.00 38.94 C ATOM 1212 H VAL A 746 -3.050 14.768 18.917 1.00 0.00 H ATOM 1213 N ALA A 747 -5.360 17.201 17.933 1.00 35.14 N ATOM 1214 CA ALA A 747 -6.611 17.921 17.806 1.00 32.82 C ATOM 1215 C ALA A 747 -7.031 18.660 19.080 1.00 33.06 C ATOM 1216 O ALA A 747 -7.452 19.824 19.023 1.00 33.74 O ATOM 1217 CB ALA A 747 -7.706 16.940 17.398 1.00 33.43 C ATOM 1218 H ALA A 747 -5.377 16.167 17.827 1.00 0.00 H ATOM 1219 N ALA A 748 -6.913 17.996 20.224 1.00 33.23 N ATOM 1220 CA ALA A 748 -7.066 18.648 21.546 1.00 33.48 C ATOM 1221 C ALA A 748 -6.198 19.911 21.713 1.00 34.76 C ATOM 1222 O ALA A 748 -6.650 20.931 22.272 1.00 35.55 O ATOM 1223 CB ALA A 748 -6.771 17.660 22.674 1.00 34.16 C ATOM 1224 H ALA A 748 -6.705 16.978 20.191 1.00 0.00 H ATOM 1225 N GLN A 749 -4.958 19.851 21.253 1.00 32.87 N ATOM 1226 CA GLN A 749 -4.080 21.025 21.353 1.00 33.50 C ATOM 1227 C GLN A 749 -4.555 22.196 20.470 1.00 32.82 C ATOM 1228 O GLN A 749 -4.475 23.345 20.871 1.00 32.30 O ATOM 1229 CB GLN A 749 -2.665 20.655 20.953 1.00 34.23 C ATOM 1230 CG GLN A 749 -1.936 19.793 21.979 1.00 34.74 C ATOM 1231 CD GLN A 749 -0.554 19.448 21.506 1.00 35.37 C ATOM 1232 OE1 GLN A 749 0.367 20.239 21.633 1.00 34.08 O ATOM 1233 NE2 GLN A 749 -0.408 18.265 20.921 1.00 37.73 N ATOM 1234 HE22 GLN A 749 -1.222 17.623 20.835 1.00 0.00 H ATOM 1235 HE21 GLN A 749 0.520 17.980 20.549 1.00 0.00 H ATOM 1236 H GLN A 749 -4.605 18.973 20.821 1.00 0.00 H ATOM 1237 N ILE A 750 -5.055 21.887 19.275 1.00 31.42 N ATOM 1238 CA ILE A 750 -5.601 22.909 18.368 1.00 31.86 C ATOM 1239 C ILE A 750 -6.855 23.548 18.994 1.00 31.73 C ATOM 1240 O ILE A 750 -6.973 24.761 19.084 1.00 34.38 O ATOM 1241 CB ILE A 750 -5.901 22.295 16.966 1.00 30.40 C ATOM 1242 CG1 ILE A 750 -4.599 21.790 16.322 1.00 31.01 C ATOM 1243 CG2 ILE A 750 -6.562 23.317 16.049 1.00 30.20 C ATOM 1244 CD1 ILE A 750 -4.809 20.888 15.112 1.00 31.05 C ATOM 1245 H ILE A 750 -5.060 20.892 18.973 1.00 0.00 H ATOM 1246 N ALA A 751 -7.759 22.709 19.476 1.00 32.98 N ATOM 1247 CA ALA A 751 -8.932 23.160 20.213 1.00 33.20 C ATOM 1248 C ALA A 751 -8.578 24.048 21.400 1.00 35.12 C ATOM 1249 O ALA A 751 -9.261 25.037 21.644 1.00 34.46 O ATOM 1250 CB ALA A 751 -9.721 21.968 20.685 1.00 33.88 C ATOM 1251 H ALA A 751 -7.627 21.689 19.323 1.00 0.00 H ATOM 1252 N SER A 752 -7.529 23.683 22.134 1.00 35.17 N ATOM 1253 CA SER A 752 -7.112 24.440 23.323 1.00 37.02 C ATOM 1254 C SER A 752 -6.535 25.790 22.906 1.00 36.52 C ATOM 1255 O SER A 752 -6.766 26.800 23.557 1.00 34.51 O ATOM 1256 CB SER A 752 -6.059 23.669 24.115 1.00 37.22 C ATOM 1257 OG SER A 752 -5.618 24.411 25.229 1.00 36.78 O ATOM 1258 HG SER A 752 -5.221 25.264 24.920 1.00 0.00 H ATOM 1259 H SER A 752 -6.989 22.838 21.858 1.00 0.00 H ATOM 1260 N GLY A 753 -5.779 25.792 21.805 1.00 35.81 N ATOM 1261 CA GLY A 753 -5.253 27.025 21.267 1.00 35.33 C ATOM 1262 C GLY A 753 -6.378 27.926 20.782 1.00 35.26 C ATOM 1263 O GLY A 753 -6.327 29.144 20.962 1.00 36.40 O ATOM 1264 H GLY A 753 -5.566 24.893 21.328 1.00 0.00 H ATOM 1265 N MET A 754 -7.396 27.323 20.180 1.00 34.81 N ATOM 1266 CA MET A 754 -8.510 28.085 19.633 1.00 36.58 C ATOM 1267 C MET A 754 -9.389 28.585 20.757 1.00 37.58 C ATOM 1268 O MET A 754 -9.964 29.683 20.664 1.00 37.41 O ATOM 1269 CB MET A 754 -9.331 27.282 18.627 1.00 34.11 C ATOM 1270 CG MET A 754 -8.591 27.002 17.323 1.00 33.98 C ATOM 1271 SD MET A 754 -8.065 28.479 16.438 1.00 33.89 S ATOM 1272 CE MET A 754 -9.654 29.333 16.321 1.00 35.98 C ATOM 1273 H MET A 754 -7.398 26.286 20.097 1.00 0.00 H ATOM 1274 N ARG A 755 -9.474 27.811 21.823 1.00 37.16 N ATOM 1275 CA ARG A 755 -10.243 28.271 22.972 1.00 39.61 C ATOM 1276 C ARG A 755 -9.575 29.546 23.495 1.00 39.15 C ATOM 1277 O ARG A 755 -10.226 30.562 23.677 1.00 39.09 O ATOM 1278 CB ARG A 755 -10.339 27.197 24.044 1.00 42.55 C ATOM 1279 CG ARG A 755 -11.166 27.620 25.258 1.00 47.88 C ATOM 1280 CD ARG A 755 -10.698 26.912 26.512 1.00 50.49 C ATOM 1281 NE ARG A 755 -9.351 27.337 26.864 1.00 55.07 N ATOM 1282 CZ ARG A 755 -9.053 28.500 27.448 1.00 57.63 C ATOM 1283 NH1 ARG A 755 -10.013 29.379 27.759 1.00 58.81 N ATOM 1284 NH2 ARG A 755 -7.783 28.795 27.704 1.00 56.85 N ATOM 1285 HE ARG A 755 -8.567 26.690 26.645 1.00 0.00 H ATOM 1286 HH12 ARG A 755 -9.765 30.281 28.214 1.00 0.00 H ATOM 1287 HH11 ARG A 755 -11.007 29.160 27.546 1.00 0.00 H ATOM 1288 HH22 ARG A 755 -7.540 29.698 28.159 1.00 0.00 H ATOM 1289 HH21 ARG A 755 -7.032 28.123 27.450 1.00 0.00 H ATOM 1290 H ARG A 755 -8.999 26.886 21.842 1.00 0.00 H ATOM 1291 N TYR A 756 -8.265 29.504 23.689 1.00 38.91 N ATOM 1292 CA TYR A 756 -7.532 30.689 24.138 1.00 40.57 C ATOM 1293 C TYR A 756 -7.781 31.885 23.205 1.00 40.71 C ATOM 1294 O TYR A 756 -8.110 32.979 23.647 1.00 40.13 O ATOM 1295 CB TYR A 756 -6.051 30.349 24.201 1.00 41.11 C ATOM 1296 CG TYR A 756 -5.126 31.428 24.715 1.00 42.03 C ATOM 1297 CD1 TYR A 756 -4.900 31.607 26.081 1.00 42.68 C ATOM 1298 CD2 TYR A 756 -4.433 32.229 23.822 1.00 42.84 C ATOM 1299 CE1 TYR A 756 -4.005 32.564 26.529 1.00 46.02 C ATOM 1300 CE2 TYR A 756 -3.561 33.204 24.249 1.00 43.67 C ATOM 1301 CZ TYR A 756 -3.347 33.371 25.592 1.00 45.70 C ATOM 1302 OH TYR A 756 -2.465 34.333 25.956 1.00 47.35 O ATOM 1303 HH TYR A 756 -1.578 34.130 25.566 1.00 0.00 H ATOM 1304 H TYR A 756 -7.750 28.616 23.520 1.00 0.00 H ATOM 1305 N LEU A 757 -7.639 31.665 21.909 1.00 40.16 N ATOM 1306 CA LEU A 757 -7.897 32.728 20.950 1.00 42.26 C ATOM 1307 C LEU A 757 -9.292 33.332 21.086 1.00 42.20 C ATOM 1308 O LEU A 757 -9.435 34.560 21.204 1.00 41.64 O ATOM 1309 CB LEU A 757 -7.740 32.211 19.531 1.00 43.39 C ATOM 1310 CG LEU A 757 -6.325 32.217 19.008 1.00 46.16 C ATOM 1311 CD1 LEU A 757 -6.349 31.752 17.555 1.00 48.49 C ATOM 1312 CD2 LEU A 757 -5.732 33.621 19.112 1.00 47.41 C ATOM 1313 H LEU A 757 -7.341 30.727 21.573 1.00 0.00 H ATOM 1314 N ALA A 758 -10.305 32.458 21.046 1.00 39.30 N ATOM 1315 CA ALA A 758 -11.694 32.886 21.142 1.00 40.44 C ATOM 1316 C ALA A 758 -11.958 33.693 22.429 1.00 41.41 C ATOM 1317 O ALA A 758 -12.562 34.761 22.372 1.00 41.80 O ATOM 1318 CB ALA A 758 -12.623 31.698 21.056 1.00 40.86 C ATOM 1319 H ALA A 758 -10.094 31.445 20.943 1.00 0.00 H ATOM 1320 N THR A 759 -11.460 33.212 23.561 1.00 40.92 N ATOM 1321 CA THR A 759 -11.667 33.908 24.818 1.00 44.50 C ATOM 1322 C THR A 759 -10.906 35.232 24.913 1.00 44.68 C ATOM 1323 O THR A 759 -11.239 36.041 25.747 1.00 47.22 O ATOM 1324 CB THR A 759 -11.336 33.015 26.029 1.00 46.75 C ATOM 1325 OG1 THR A 759 -9.985 32.564 25.955 1.00 49.08 O ATOM 1326 CG2 THR A 759 -12.258 31.811 26.061 1.00 46.39 C ATOM 1327 HG1 THR A 759 -9.857 32.043 25.123 1.00 0.00 H ATOM 1328 H THR A 759 -10.915 32.326 23.548 1.00 0.00 H ATOM 1329 N LEU A 760 -9.904 35.449 24.061 1.00 43.08 N ATOM 1330 CA LEU A 760 -9.296 36.758 23.896 1.00 44.20 C ATOM 1331 C LEU A 760 -9.978 37.559 22.773 1.00 43.54 C ATOM 1332 O LEU A 760 -9.503 38.615 22.390 1.00 42.37 O ATOM 1333 CB LEU A 760 -7.784 36.642 23.661 1.00 46.34 C ATOM 1334 CG LEU A 760 -6.931 36.400 24.915 1.00 49.15 C ATOM 1335 CD1 LEU A 760 -5.509 36.024 24.549 1.00 51.15 C ATOM 1336 CD2 LEU A 760 -6.914 37.617 25.819 1.00 52.05 C ATOM 1337 H LEU A 760 -9.545 34.654 23.495 1.00 0.00 H ATOM 1338 N ASN A 761 -11.101 37.037 22.275 1.00 42.71 N ATOM 1339 CA ASN A 761 -11.985 37.711 21.323 1.00 42.18 C ATOM 1340 C ASN A 761 -11.360 37.879 19.936 1.00 42.59 C ATOM 1341 O ASN A 761 -11.647 38.838 19.212 1.00 43.08 O ATOM 1342 CB ASN A 761 -12.505 39.043 21.895 1.00 43.60 C ATOM 1343 CG ASN A 761 -13.238 38.862 23.233 1.00 44.09 C ATOM 1344 OD1 ASN A 761 -12.863 39.464 24.230 1.00 43.35 O ATOM 1345 ND2 ASN A 761 -14.292 38.034 23.247 1.00 42.36 N ATOM 1346 HD22 ASN A 761 -14.578 37.541 22.377 1.00 0.00 H ATOM 1347 HD21 ASN A 761 -14.824 37.884 24.128 1.00 0.00 H ATOM 1348 H ASN A 761 -11.367 36.081 22.586 1.00 0.00 H ATOM 1349 N PHE A 762 -10.522 36.915 19.574 1.00 42.28 N ATOM 1350 CA PHE A 762 -9.882 36.882 18.265 1.00 42.08 C ATOM 1351 C PHE A 762 -10.508 35.825 17.384 1.00 41.28 C ATOM 1352 O PHE A 762 -10.776 34.708 17.842 1.00 38.59 O ATOM 1353 CB PHE A 762 -8.387 36.630 18.406 1.00 41.09 C ATOM 1354 CG PHE A 762 -7.653 37.797 18.967 1.00 43.59 C ATOM 1355 CD1 PHE A 762 -7.662 39.011 18.292 1.00 45.51 C ATOM 1356 CD2 PHE A 762 -6.978 37.706 20.176 1.00 44.74 C ATOM 1357 CE1 PHE A 762 -7.008 40.108 18.806 1.00 46.70 C ATOM 1358 CE2 PHE A 762 -6.318 38.801 20.693 1.00 45.89 C ATOM 1359 CZ PHE A 762 -6.334 40.006 20.008 1.00 46.15 C ATOM 1360 H PHE A 762 -10.314 36.153 20.251 1.00 0.00 H ATOM 1361 N VAL A 763 -10.744 36.195 16.122 1.00 42.02 N ATOM 1362 CA VAL A 763 -11.159 35.241 15.104 1.00 41.78 C ATOM 1363 C VAL A 763 -9.963 34.898 14.218 1.00 41.04 C ATOM 1364 O VAL A 763 -9.290 35.794 13.728 1.00 44.58 O ATOM 1365 CB VAL A 763 -12.287 35.792 14.230 1.00 42.72 C ATOM 1366 CG1 VAL A 763 -12.759 34.711 13.259 1.00 42.38 C ATOM 1367 CG2 VAL A 763 -13.451 36.269 15.086 1.00 43.01 C ATOM 1368 H VAL A 763 -10.628 37.195 15.859 1.00 0.00 H ATOM 1369 N HIS A 764 -9.713 33.606 14.006 1.00 37.69 N ATOM 1370 CA HIS A 764 -8.601 33.165 13.173 1.00 36.28 C ATOM 1371 C HIS A 764 -8.855 33.453 11.691 1.00 37.16 C ATOM 1372 O HIS A 764 -8.100 34.183 11.067 1.00 36.12 O ATOM 1373 CB HIS A 764 -8.319 31.666 13.372 1.00 35.46 C ATOM 1374 CG HIS A 764 -6.977 31.257 12.858 1.00 37.70 C ATOM 1375 ND1 HIS A 764 -6.664 31.256 11.518 1.00 36.94 N ATOM 1376 CD2 HIS A 764 -5.838 30.912 13.506 1.00 38.23 C ATOM 1377 CE1 HIS A 764 -5.400 30.914 11.359 1.00 38.08 C ATOM 1378 NE2 HIS A 764 -4.876 30.694 12.547 1.00 36.90 N ATOM 1379 H HIS A 764 -10.328 32.893 14.447 1.00 0.00 H ATOM 1380 N ARG A 765 -9.912 32.843 11.155 1.00 38.17 N ATOM 1381 CA ARG A 765 -10.362 32.966 9.752 1.00 41.19 C ATOM 1382 C ARG A 765 -9.721 31.986 8.737 1.00 39.89 C ATOM 1383 O ARG A 765 -10.204 31.876 7.625 1.00 40.36 O ATOM 1384 CB ARG A 765 -10.244 34.382 9.214 1.00 44.63 C ATOM 1385 CG ARG A 765 -10.969 35.432 10.021 1.00 48.54 C ATOM 1386 CD ARG A 765 -11.230 36.618 9.135 1.00 52.17 C ATOM 1387 NE ARG A 765 -12.038 37.650 9.770 1.00 58.89 N ATOM 1388 CZ ARG A 765 -12.671 38.609 9.091 1.00 62.38 C ATOM 1389 NH1 ARG A 765 -12.601 38.646 7.759 1.00 64.61 N ATOM 1390 NH2 ARG A 765 -13.392 39.517 9.729 1.00 60.70 N ATOM 1391 HE ARG A 765 -12.126 37.639 10.806 1.00 0.00 H ATOM 1392 HH12 ARG A 765 -13.095 39.395 7.233 1.00 0.00 H ATOM 1393 HH11 ARG A 765 -12.052 37.926 7.247 1.00 0.00 H ATOM 1394 HH22 ARG A 765 -13.883 40.261 9.194 1.00 0.00 H ATOM 1395 HH21 ARG A 765 -13.468 39.486 10.766 1.00 0.00 H ATOM 1396 H ARG A 765 -10.470 32.226 11.779 1.00 0.00 H ATOM 1397 N ASP A 766 -8.680 31.263 9.127 1.00 38.72 N ATOM 1398 CA ASP A 766 -7.961 30.371 8.212 1.00 37.73 C ATOM 1399 C ASP A 766 -7.379 29.193 8.974 1.00 36.18 C ATOM 1400 O ASP A 766 -6.206 28.854 8.840 1.00 38.75 O ATOM 1401 CB ASP A 766 -6.869 31.131 7.398 1.00 38.56 C ATOM 1402 CG ASP A 766 -6.369 30.320 6.172 1.00 38.24 C ATOM 1403 OD1 ASP A 766 -7.015 29.299 5.822 1.00 37.14 O ATOM 1404 OD2 ASP A 766 -5.332 30.675 5.568 1.00 37.34 O ATOM 1405 H ASP A 766 -8.363 31.331 10.115 1.00 0.00 H ATOM 1406 N LEU A 767 -8.203 28.569 9.810 1.00 35.39 N ATOM 1407 CA LEU A 767 -7.770 27.406 10.545 1.00 32.75 C ATOM 1408 C LEU A 767 -7.784 26.184 9.625 1.00 33.03 C ATOM 1409 O LEU A 767 -8.756 25.939 8.876 1.00 32.07 O ATOM 1410 CB LEU A 767 -8.654 27.183 11.760 1.00 35.88 C ATOM 1411 CG LEU A 767 -8.264 25.973 12.637 1.00 37.50 C ATOM 1412 CD1 LEU A 767 -6.982 26.236 13.398 1.00 39.46 C ATOM 1413 CD2 LEU A 767 -9.369 25.617 13.610 1.00 37.53 C ATOM 1414 H LEU A 767 -9.172 28.924 9.936 1.00 0.00 H ATOM 1415 N ALA A 768 -6.689 25.433 9.679 1.00 31.41 N ATOM 1416 CA ALA A 768 -6.431 24.312 8.781 1.00 31.89 C ATOM 1417 C ALA A 768 -5.105 23.727 9.228 1.00 32.37 C ATOM 1418 O ALA A 768 -4.312 24.427 9.871 1.00 34.49 O ATOM 1419 CB ALA A 768 -6.342 24.786 7.328 1.00 31.59 C ATOM 1420 H ALA A 768 -5.976 25.657 10.402 1.00 0.00 H ATOM 1421 N THR A 769 -4.839 22.469 8.878 1.00 33.30 N ATOM 1422 CA THR A 769 -3.539 21.824 9.253 1.00 32.40 C ATOM 1423 C THR A 769 -2.318 22.526 8.660 1.00 34.63 C ATOM 1424 O THR A 769 -1.267 22.537 9.285 1.00 34.60 O ATOM 1425 CB THR A 769 -3.481 20.338 8.884 1.00 31.56 C ATOM 1426 OG1 THR A 769 -3.726 20.152 7.483 1.00 33.04 O ATOM 1427 CG2 THR A 769 -4.518 19.588 9.668 1.00 31.05 C ATOM 1428 HG1 THR A 769 -4.624 20.503 7.257 1.00 0.00 H ATOM 1429 H THR A 769 -5.543 21.927 8.337 1.00 0.00 H ATOM 1430 N ARG A 770 -2.465 23.128 7.470 1.00 34.43 N ATOM 1431 CA ARG A 770 -1.379 23.916 6.853 1.00 34.09 C ATOM 1432 C ARG A 770 -0.907 25.122 7.675 1.00 36.00 C ATOM 1433 O ARG A 770 0.188 25.651 7.425 1.00 34.54 O ATOM 1434 CB ARG A 770 -1.765 24.400 5.446 1.00 34.17 C ATOM 1435 CG ARG A 770 -2.973 25.327 5.377 1.00 34.34 C ATOM 1436 CD ARG A 770 -3.354 25.762 3.955 1.00 34.50 C ATOM 1437 NE ARG A 770 -4.566 26.584 4.012 1.00 36.83 N ATOM 1438 CZ ARG A 770 -5.819 26.115 4.080 1.00 36.39 C ATOM 1439 NH1 ARG A 770 -6.074 24.807 4.048 1.00 36.06 N ATOM 1440 NH2 ARG A 770 -6.840 26.968 4.143 1.00 36.41 N ATOM 1441 HE ARG A 770 -4.443 27.617 3.999 1.00 0.00 H ATOM 1442 HH12 ARG A 770 -7.055 24.467 4.102 1.00 0.00 H ATOM 1443 HH11 ARG A 770 -5.292 24.126 3.969 1.00 0.00 H ATOM 1444 HH22 ARG A 770 -7.815 26.609 4.196 1.00 0.00 H ATOM 1445 HH21 ARG A 770 -6.662 27.993 4.139 1.00 0.00 H ATOM 1446 H ARG A 770 -3.371 23.037 6.967 1.00 0.00 H ATOM 1447 N ASN A 771 -1.745 25.576 8.610 1.00 35.34 N ATOM 1448 CA ASN A 771 -1.427 26.713 9.467 1.00 35.53 C ATOM 1449 C ASN A 771 -1.190 26.320 10.909 1.00 37.17 C ATOM 1450 O ASN A 771 -1.318 27.156 11.808 1.00 37.21 O ATOM 1451 CB ASN A 771 -2.557 27.736 9.386 1.00 35.67 C ATOM 1452 CG ASN A 771 -2.619 28.399 8.037 1.00 38.11 C ATOM 1453 OD1 ASN A 771 -1.587 28.586 7.396 1.00 41.78 O ATOM 1454 ND2 ASN A 771 -3.818 28.752 7.587 1.00 38.53 N ATOM 1455 HD22 ASN A 771 -4.664 28.573 8.165 1.00 0.00 H ATOM 1456 HD21 ASN A 771 -3.911 29.207 6.656 1.00 0.00 H ATOM 1457 H ASN A 771 -2.661 25.100 8.732 1.00 0.00 H ATOM 1458 N CYS A 772 -0.839 25.050 11.123 1.00 35.69 N ATOM 1459 CA CYS A 772 -0.414 24.577 12.422 1.00 36.72 C ATOM 1460 C CYS A 772 1.024 24.105 12.275 1.00 38.89 C ATOM 1461 O CYS A 772 1.425 23.563 11.222 1.00 40.69 O ATOM 1462 CB CYS A 772 -1.340 23.465 12.960 1.00 36.33 C ATOM 1463 SG CYS A 772 -3.070 23.990 13.244 1.00 37.79 S ATOM 1464 H CYS A 772 -0.872 24.379 10.329 1.00 0.00 H ATOM 1465 N LEU A 773 1.815 24.359 13.302 1.00 38.78 N ATOM 1466 CA LEU A 773 3.205 23.973 13.294 1.00 40.83 C ATOM 1467 C LEU A 773 3.439 22.860 14.314 1.00 39.20 C ATOM 1468 O LEU A 773 2.756 22.788 15.328 1.00 36.20 O ATOM 1469 CB LEU A 773 4.071 25.162 13.638 1.00 44.46 C ATOM 1470 CG LEU A 773 4.097 26.341 12.679 1.00 47.40 C ATOM 1471 CD1 LEU A 773 4.824 27.500 13.342 1.00 49.03 C ATOM 1472 CD2 LEU A 773 4.790 25.947 11.388 1.00 49.59 C ATOM 1473 H LEU A 773 1.427 24.848 14.134 1.00 0.00 H ATOM 1474 N VAL A 774 4.392 21.987 14.010 1.00 38.82 N ATOM 1475 CA VAL A 774 4.737 20.890 14.888 1.00 39.34 C ATOM 1476 C VAL A 774 6.093 21.183 15.522 1.00 39.80 C ATOM 1477 O VAL A 774 7.092 21.263 14.832 1.00 42.27 O ATOM 1478 CB VAL A 774 4.794 19.528 14.160 1.00 38.03 C ATOM 1479 CG1 VAL A 774 5.068 18.417 15.162 1.00 38.05 C ATOM 1480 CG2 VAL A 774 3.501 19.237 13.419 1.00 35.94 C ATOM 1481 H VAL A 774 4.907 22.095 13.113 1.00 0.00 H ATOM 1482 N GLY A 775 6.099 21.351 16.839 1.00 40.09 N ATOM 1483 CA GLY A 775 7.323 21.487 17.606 1.00 43.25 C ATOM 1484 C GLY A 775 7.852 20.135 18.057 1.00 45.15 C ATOM 1485 O GLY A 775 7.777 19.149 17.333 1.00 47.33 O ATOM 1486 H GLY A 775 5.189 21.387 17.341 1.00 0.00 H ATOM 1487 N GLU A 776 8.397 20.105 19.261 1.00 47.60 N ATOM 1488 CA GLU A 776 8.949 18.896 19.847 1.00 51.19 C ATOM 1489 C GLU A 776 7.891 18.173 20.665 1.00 49.62 C ATOM 1490 O GLU A 776 6.933 18.782 21.148 1.00 48.71 O ATOM 1491 CB GLU A 776 10.149 19.239 20.715 1.00 53.90 C ATOM 1492 CG GLU A 776 11.320 19.787 19.915 1.00 58.85 C ATOM 1493 CD GLU A 776 12.400 20.399 20.796 1.00 65.60 C ATOM 1494 OE1 GLU A 776 12.079 20.844 21.916 1.00 69.67 O ATOM 1495 OE2 GLU A 776 13.579 20.441 20.373 1.00 71.81 O ATOM 1496 H GLU A 776 8.432 20.986 19.813 1.00 0.00 H ATOM 1497 N ASN A 777 8.067 16.862 20.773 1.00 51.46 N ATOM 1498 CA ASN A 777 7.159 15.978 21.505 1.00 51.18 C ATOM 1499 C ASN A 777 5.694 16.258 21.168 1.00 49.30 C ATOM 1500 O ASN A 777 4.856 16.416 22.047 1.00 46.41 O ATOM 1501 CB ASN A 777 7.419 16.094 23.010 1.00 52.66 C ATOM 1502 CG ASN A 777 6.745 14.995 23.819 1.00 53.41 C ATOM 1503 OD1 ASN A 777 6.546 13.866 23.346 1.00 54.39 O ATOM 1504 ND2 ASN A 777 6.411 15.318 25.060 1.00 53.99 N ATOM 1505 HD22 ASN A 777 6.597 16.278 25.415 1.00 0.00 H ATOM 1506 HD21 ASN A 777 5.963 14.612 25.679 1.00 0.00 H ATOM 1507 H ASN A 777 8.897 16.439 20.311 1.00 0.00 H ATOM 1508 N PHE A 778 5.419 16.342 19.867 1.00 48.30 N ATOM 1509 CA PHE A 778 4.061 16.463 19.326 1.00 45.33 C ATOM 1510 C PHE A 778 3.293 17.701 19.792 1.00 45.15 C ATOM 1511 O PHE A 778 2.061 17.704 19.799 1.00 44.16 O ATOM 1512 CB PHE A 778 3.263 15.185 19.611 1.00 44.49 C ATOM 1513 CG PHE A 778 3.861 13.961 18.981 1.00 44.76 C ATOM 1514 CD1 PHE A 778 4.864 13.245 19.634 1.00 48.08 C ATOM 1515 CD2 PHE A 778 3.459 13.548 17.721 1.00 43.10 C ATOM 1516 CE1 PHE A 778 5.438 12.126 19.049 1.00 48.09 C ATOM 1517 CE2 PHE A 778 4.032 12.430 17.127 1.00 45.17 C ATOM 1518 CZ PHE A 778 5.019 11.721 17.792 1.00 47.37 C ATOM 1519 H PHE A 778 6.213 16.321 19.196 1.00 0.00 H ATOM 1520 N THR A 779 4.024 18.756 20.147 1.00 45.57 N ATOM 1521 CA THR A 779 3.411 20.033 20.494 1.00 45.34 C ATOM 1522 C THR A 779 2.987 20.754 19.230 1.00 41.98 C ATOM 1523 O THR A 779 3.793 20.926 18.305 1.00 39.86 O ATOM 1524 CB THR A 779 4.393 20.955 21.235 1.00 48.65 C ATOM 1525 OG1 THR A 779 4.855 20.293 22.409 1.00 50.70 O ATOM 1526 CG2 THR A 779 3.707 22.263 21.628 1.00 48.65 C ATOM 1527 HG1 THR A 779 5.313 19.453 22.154 1.00 0.00 H ATOM 1528 H THR A 779 5.060 18.667 20.178 1.00 0.00 H ATOM 1529 N ILE A 780 1.728 21.186 19.209 1.00 39.84 N ATOM 1530 CA ILE A 780 1.151 21.880 18.061 1.00 38.09 C ATOM 1531 C ILE A 780 0.984 23.352 18.403 1.00 41.01 C ATOM 1532 O ILE A 780 0.526 23.682 19.504 1.00 42.31 O ATOM 1533 CB ILE A 780 -0.227 21.297 17.686 1.00 35.53 C ATOM 1534 CG1 ILE A 780 -0.122 19.791 17.446 1.00 36.00 C ATOM 1535 CG2 ILE A 780 -0.812 22.007 16.471 1.00 34.36 C ATOM 1536 CD1 ILE A 780 0.908 19.366 16.408 1.00 36.50 C ATOM 1537 H ILE A 780 1.131 21.023 20.045 1.00 0.00 H ATOM 1538 N LYS A 781 1.363 24.223 17.462 1.00 41.67 N ATOM 1539 CA LYS A 781 1.165 25.663 17.574 1.00 40.41 C ATOM 1540 C LYS A 781 0.339 26.143 16.411 1.00 38.96 C ATOM 1541 O LYS A 781 0.719 25.945 15.244 1.00 35.32 O ATOM 1542 CB LYS A 781 2.488 26.435 17.476 1.00 44.31 C ATOM 1543 CG LYS A 781 3.663 25.824 18.199 1.00 45.48 C ATOM 1544 CD LYS A 781 3.713 26.237 19.641 1.00 46.62 C ATOM 1545 CE LYS A 781 4.968 25.638 20.274 1.00 48.19 C ATOM 1546 NZ LYS A 781 4.915 25.789 21.743 1.00 50.18 N ATOM 1547 HZ1 LYS A 781 4.858 26.799 21.985 1.00 0.00 H ATOM 1548 HZ2 LYS A 781 4.077 25.295 22.111 1.00 0.00 H ATOM 1549 HZ3 LYS A 781 5.773 25.378 22.164 1.00 0.00 H ATOM 1550 H LYS A 781 1.823 23.854 16.605 1.00 0.00 H ATOM 1551 N ILE A 782 -0.770 26.794 16.735 1.00 37.35 N ATOM 1552 CA ILE A 782 -1.564 27.465 15.751 1.00 38.71 C ATOM 1553 C ILE A 782 -0.772 28.675 15.277 1.00 38.41 C ATOM 1554 O ILE A 782 -0.122 29.369 16.070 1.00 36.10 O ATOM 1555 CB ILE A 782 -2.959 27.861 16.299 1.00 39.69 C ATOM 1556 CG1 ILE A 782 -3.740 26.586 16.667 1.00 39.91 C ATOM 1557 CG2 ILE A 782 -3.763 28.605 15.243 1.00 40.01 C ATOM 1558 CD1 ILE A 782 -4.894 26.823 17.613 1.00 41.60 C ATOM 1559 H ILE A 782 -1.071 26.818 17.730 1.00 0.00 H ATOM 1560 N ALA A 783 -0.814 28.893 13.964 1.00 37.38 N ATOM 1561 CA ALA A 783 -0.131 30.014 13.354 1.00 39.85 C ATOM 1562 C ALA A 783 -1.004 30.648 12.289 1.00 39.36 C ATOM 1563 O ALA A 783 -2.093 30.137 11.950 1.00 38.42 O ATOM 1564 CB ALA A 783 1.208 29.576 12.768 1.00 39.25 C ATOM 1565 H ALA A 783 -1.353 28.240 13.360 1.00 0.00 H ATOM 1566 N ASP A 784 -0.528 31.779 11.793 1.00 40.89 N ATOM 1567 CA ASP A 784 -1.140 32.462 10.659 1.00 43.69 C ATOM 1568 C ASP A 784 -0.060 33.256 9.918 1.00 45.55 C ATOM 1569 O ASP A 784 0.392 34.308 10.371 1.00 47.18 O ATOM 1570 CB ASP A 784 -2.276 33.374 11.123 1.00 44.51 C ATOM 1571 CG ASP A 784 -3.224 33.734 9.993 1.00 50.56 C ATOM 1572 OD1 ASP A 784 -3.306 32.972 8.998 1.00 53.75 O ATOM 1573 OD2 ASP A 784 -3.912 34.763 10.102 1.00 50.75 O ATOM 1574 H ASP A 784 0.318 32.198 12.230 1.00 0.00 H ATOM 1575 N PHE A 785 0.367 32.733 8.782 1.00 47.64 N ATOM 1576 CA PHE A 785 1.604 33.187 8.149 1.00 48.93 C ATOM 1577 C PHE A 785 1.447 34.446 7.285 1.00 52.46 C ATOM 1578 O PHE A 785 2.325 35.308 7.281 1.00 54.60 O ATOM 1579 CB PHE A 785 2.213 32.044 7.322 1.00 47.22 C ATOM 1580 CG PHE A 785 2.395 30.760 8.094 1.00 44.47 C ATOM 1581 CD1 PHE A 785 3.191 30.727 9.240 1.00 44.89 C ATOM 1582 CD2 PHE A 785 1.770 29.597 7.691 1.00 42.43 C ATOM 1583 CE1 PHE A 785 3.358 29.556 9.958 1.00 42.96 C ATOM 1584 CE2 PHE A 785 1.928 28.424 8.414 1.00 41.65 C ATOM 1585 CZ PHE A 785 2.721 28.407 9.546 1.00 41.71 C ATOM 1586 H PHE A 785 -0.190 31.981 8.328 1.00 0.00 H ATOM 1587 N GLY A 786 0.344 34.538 6.547 1.00 53.68 N ATOM 1588 CA GLY A 786 0.161 35.601 5.558 1.00 56.69 C ATOM 1589 C GLY A 786 1.046 35.489 4.318 1.00 59.11 C ATOM 1590 O GLY A 786 1.213 36.473 3.586 1.00 65.25 O ATOM 1591 H GLY A 786 -0.410 33.834 6.677 1.00 0.00 H ATOM 1592 N MET A 787 1.614 34.305 4.072 1.00 57.43 N ATOM 1593 CA MET A 787 2.509 34.082 2.928 1.00 58.90 C ATOM 1594 C MET A 787 1.724 33.411 1.832 1.00 57.83 C ATOM 1595 O MET A 787 0.713 32.765 2.088 1.00 54.15 O ATOM 1596 CB MET A 787 3.686 33.157 3.282 1.00 60.51 C ATOM 1597 CG MET A 787 4.535 33.590 4.471 1.00 62.03 C ATOM 1598 SD MET A 787 6.064 32.633 4.667 1.00 61.35 S ATOM 1599 CE MET A 787 5.503 31.097 5.369 1.00 59.26 C ATOM 1600 H MET A 787 1.415 33.511 4.714 1.00 0.00 H ATOM 1601 N SER A 788 2.183 33.549 0.600 1.00 57.29 N ATOM 1602 CA SER A 788 1.568 32.787 -0.462 1.00 57.38 C ATOM 1603 C SER A 788 2.483 31.580 -0.716 1.00 56.67 C ATOM 1604 O SER A 788 3.618 31.724 -1.169 1.00 54.77 O ATOM 1605 CB SER A 788 1.301 33.663 -1.694 1.00 58.50 C ATOM 1606 OG SER A 788 2.290 33.511 -2.679 1.00 60.56 O ATOM 1607 HG SER A 788 2.318 32.566 -2.974 1.00 0.00 H ATOM 1608 H SER A 788 2.973 34.195 0.399 1.00 0.00 H ATOM 1609 N ARG A 789 1.989 30.393 -0.376 1.00 53.90 N ATOM 1610 CA ARG A 789 2.772 29.167 -0.506 1.00 53.10 C ATOM 1611 C ARG A 789 2.177 28.349 -1.636 1.00 51.09 C ATOM 1612 O ARG A 789 1.009 27.929 -1.543 1.00 49.87 O ATOM 1613 CB ARG A 789 2.744 28.373 0.810 1.00 51.77 C ATOM 1614 CG ARG A 789 3.382 29.089 1.995 1.00 50.40 C ATOM 1615 CD ARG A 789 3.252 28.287 3.290 1.00 49.80 C ATOM 1616 NE ARG A 789 1.904 28.347 3.837 1.00 48.03 N ATOM 1617 CZ ARG A 789 1.421 27.576 4.818 1.00 46.42 C ATOM 1618 NH1 ARG A 789 2.167 26.645 5.402 1.00 46.80 N ATOM 1619 NH2 ARG A 789 0.167 27.740 5.219 1.00 43.83 N ATOM 1620 HE ARG A 789 1.258 29.053 3.428 1.00 0.00 H ATOM 1621 HH12 ARG A 789 1.767 26.059 6.162 1.00 0.00 H ATOM 1622 HH11 ARG A 789 3.151 26.502 5.099 1.00 0.00 H ATOM 1623 HH22 ARG A 789 -0.217 27.145 5.981 1.00 0.00 H ATOM 1624 HH21 ARG A 789 -0.432 28.463 4.772 1.00 0.00 H ATOM 1625 H ARG A 789 1.018 30.336 -0.007 1.00 0.00 H ATOM 1626 N ASN A 790 2.960 28.114 -2.689 1.00 49.53 N ATOM 1627 CA ASN A 790 2.439 27.442 -3.879 1.00 51.35 C ATOM 1628 C ASN A 790 1.893 26.066 -3.529 1.00 48.91 C ATOM 1629 O ASN A 790 0.910 25.629 -4.104 1.00 47.70 O ATOM 1630 CB ASN A 790 3.491 27.338 -4.996 1.00 53.81 C ATOM 1631 H ASN A 790 3.956 28.413 -2.664 1.00 0.00 H ATOM 1632 N LEU A 791 2.515 25.413 -2.549 1.00 48.12 N ATOM 1633 CA LEU A 791 2.079 24.114 -2.082 1.00 48.86 C ATOM 1634 C LEU A 791 0.575 24.067 -1.710 1.00 46.36 C ATOM 1635 O LEU A 791 -0.055 23.045 -1.882 1.00 47.27 O ATOM 1636 CB LEU A 791 2.942 23.673 -0.896 1.00 50.57 C ATOM 1637 CG LEU A 791 2.572 22.306 -0.268 1.00 52.49 C ATOM 1638 CD1 LEU A 791 2.630 21.164 -1.282 1.00 52.47 C ATOM 1639 CD2 LEU A 791 3.470 22.000 0.929 1.00 51.39 C ATOM 1640 H LEU A 791 3.345 25.853 -2.103 1.00 0.00 H ATOM 1641 N TYR A 792 0.017 25.171 -1.210 1.00 44.37 N ATOM 1642 CA TYR A 792 -1.379 25.217 -0.791 1.00 40.63 C ATOM 1643 C TYR A 792 -2.262 26.104 -1.662 1.00 40.63 C ATOM 1644 O TYR A 792 -3.365 26.455 -1.266 1.00 36.62 O ATOM 1645 CB TYR A 792 -1.445 25.655 0.689 1.00 41.20 C ATOM 1646 CG TYR A 792 -0.701 24.682 1.585 1.00 40.83 C ATOM 1647 CD1 TYR A 792 -1.150 23.365 1.737 1.00 40.38 C ATOM 1648 CD2 TYR A 792 0.475 25.058 2.240 1.00 42.27 C ATOM 1649 CE1 TYR A 792 -0.443 22.449 2.517 1.00 39.67 C ATOM 1650 CE2 TYR A 792 1.186 24.155 3.028 1.00 41.68 C ATOM 1651 CZ TYR A 792 0.721 22.857 3.166 1.00 40.21 C ATOM 1652 OH TYR A 792 1.431 21.975 3.954 1.00 42.34 O ATOM 1653 HH TYR A 792 1.476 22.324 4.879 1.00 0.00 H ATOM 1654 H TYR A 792 0.598 26.029 -1.116 1.00 0.00 H ATOM 1655 N ALA A 793 -1.794 26.455 -2.858 1.00 42.37 N ATOM 1656 CA ALA A 793 -2.570 27.340 -3.740 1.00 45.03 C ATOM 1657 C ALA A 793 -3.960 26.770 -4.084 1.00 43.34 C ATOM 1658 O ALA A 793 -4.924 27.517 -4.207 1.00 45.67 O ATOM 1659 CB ALA A 793 -1.786 27.673 -5.010 1.00 46.99 C ATOM 1660 H ALA A 793 -0.869 26.099 -3.172 1.00 0.00 H ATOM 1661 N GLY A 794 -4.063 25.456 -4.196 1.00 42.78 N ATOM 1662 CA GLY A 794 -5.336 24.795 -4.529 1.00 42.52 C ATOM 1663 C GLY A 794 -6.344 24.815 -3.391 1.00 41.27 C ATOM 1664 O GLY A 794 -7.527 24.499 -3.589 1.00 40.47 O ATOM 1665 H GLY A 794 -3.217 24.870 -4.044 1.00 0.00 H ATOM 1666 N ASP A 795 -5.875 25.183 -2.193 1.00 40.21 N ATOM 1667 CA ASP A 795 -6.727 25.382 -1.027 1.00 39.89 C ATOM 1668 C ASP A 795 -7.413 26.739 -0.962 1.00 40.69 C ATOM 1669 O ASP A 795 -8.232 26.958 -0.075 1.00 38.45 O ATOM 1670 CB ASP A 795 -5.930 25.202 0.253 1.00 39.36 C ATOM 1671 CG ASP A 795 -5.463 23.776 0.460 1.00 40.80 C ATOM 1672 OD1 ASP A 795 -6.007 22.876 -0.212 1.00 41.62 O ATOM 1673 OD2 ASP A 795 -4.597 23.554 1.348 1.00 41.15 O ATOM 1674 H ASP A 795 -4.851 25.335 -2.089 1.00 0.00 H ATOM 1675 N TYR A 796 -7.070 27.644 -1.870 1.00 42.94 N ATOM 1676 CA TYR A 796 -7.630 28.992 -1.862 1.00 44.70 C ATOM 1677 C TYR A 796 -8.271 29.302 -3.204 1.00 48.01 C ATOM 1678 O TYR A 796 -7.755 28.913 -4.245 1.00 47.17 O ATOM 1679 CB TYR A 796 -6.546 30.030 -1.551 1.00 44.70 C ATOM 1680 CG TYR A 796 -5.987 29.883 -0.157 1.00 43.01 C ATOM 1681 CD1 TYR A 796 -4.904 29.038 0.095 1.00 40.85 C ATOM 1682 CD2 TYR A 796 -6.563 30.552 0.911 1.00 40.19 C ATOM 1683 CE1 TYR A 796 -4.394 28.889 1.363 1.00 38.96 C ATOM 1684 CE2 TYR A 796 -6.065 30.410 2.172 1.00 39.42 C ATOM 1685 CZ TYR A 796 -4.983 29.576 2.395 1.00 39.00 C ATOM 1686 OH TYR A 796 -4.512 29.428 3.664 1.00 37.44 O ATOM 1687 HH TYR A 796 -5.229 29.063 4.241 1.00 0.00 H ATOM 1688 H TYR A 796 -6.384 27.386 -2.607 1.00 0.00 H ATOM 1689 N TYR A 797 -9.394 30.011 -3.153 1.00 51.86 N ATOM 1690 CA TYR A 797 -10.176 30.342 -4.335 1.00 57.36 C ATOM 1691 C TYR A 797 -10.430 31.844 -4.431 1.00 60.44 C ATOM 1692 O TYR A 797 -10.890 32.449 -3.473 1.00 60.93 O ATOM 1693 CB TYR A 797 -11.500 29.604 -4.255 1.00 57.47 C ATOM 1694 CG TYR A 797 -12.367 29.810 -5.456 1.00 59.39 C ATOM 1695 CD1 TYR A 797 -12.115 29.131 -6.630 1.00 62.28 C ATOM 1696 CD2 TYR A 797 -13.435 30.703 -5.422 1.00 62.49 C ATOM 1697 CE1 TYR A 797 -12.907 29.326 -7.749 1.00 66.60 C ATOM 1698 CE2 TYR A 797 -14.240 30.899 -6.527 1.00 65.41 C ATOM 1699 CZ TYR A 797 -13.971 30.206 -7.684 1.00 67.81 C ATOM 1700 OH TYR A 797 -14.754 30.401 -8.793 1.00 74.99 O ATOM 1701 HH TYR A 797 -15.691 30.162 -8.580 1.00 0.00 H ATOM 1702 H TYR A 797 -9.729 30.344 -2.227 1.00 0.00 H ATOM 1703 N ARG A 798 -10.134 32.434 -5.579 1.00 65.37 N ATOM 1704 CA ARG A 798 -10.354 33.870 -5.798 1.00 73.86 C ATOM 1705 C ARG A 798 -11.781 34.125 -6.271 1.00 77.42 C ATOM 1706 O ARG A 798 -12.170 33.682 -7.349 1.00 76.93 O ATOM 1707 CB ARG A 798 -9.371 34.447 -6.827 1.00 76.16 C ATOM 1708 CG ARG A 798 -9.704 35.885 -7.228 1.00 82.17 C ATOM 1709 CD ARG A 798 -8.706 36.484 -8.208 1.00 85.52 C ATOM 1710 NE ARG A 798 -7.324 36.356 -7.748 1.00 87.26 N ATOM 1711 CZ ARG A 798 -6.774 37.062 -6.759 1.00 89.07 C ATOM 1712 NH1 ARG A 798 -7.479 37.962 -6.079 1.00 89.41 N ATOM 1713 NH2 ARG A 798 -5.503 36.856 -6.436 1.00 90.30 N ATOM 1714 HE ARG A 798 -6.722 35.659 -8.230 1.00 0.00 H ATOM 1715 HH12 ARG A 798 -7.031 38.502 -5.311 1.00 0.00 H ATOM 1716 HH11 ARG A 798 -8.479 38.126 -6.315 1.00 0.00 H ATOM 1717 HH22 ARG A 798 -5.067 37.402 -5.666 1.00 0.00 H ATOM 1718 HH21 ARG A 798 -4.943 36.148 -6.953 1.00 0.00 H ATOM 1719 H ARG A 798 -9.733 31.863 -6.350 1.00 0.00 H ATOM 1720 N VAL A 799 -12.539 34.870 -5.470 1.00 83.41 N ATOM 1721 CA VAL A 799 -13.947 35.156 -5.752 1.00 84.92 C ATOM 1722 C VAL A 799 -14.156 36.658 -5.915 1.00 85.10 C ATOM 1723 O VAL A 799 -13.972 37.200 -7.000 1.00 89.26 O ATOM 1724 CB VAL A 799 -14.851 34.628 -4.616 1.00 81.53 C ATOM 1725 H VAL A 799 -12.113 35.266 -4.608 1.00 0.00 H TER 1726 VAL A 799 ATOM 1727 N VAL A 804 -9.699 36.084 -2.368 1.00 59.95 N ATOM 1728 CA VAL A 804 -8.965 34.826 -2.165 1.00 61.64 C ATOM 1729 C VAL A 804 -9.275 34.178 -0.807 1.00 59.06 C ATOM 1730 O VAL A 804 -8.914 34.704 0.239 1.00 61.75 O ATOM 1731 CB VAL A 804 -7.447 35.025 -2.314 1.00 63.68 C ATOM 1732 CG1 VAL A 804 -6.702 33.725 -2.047 1.00 62.15 C ATOM 1733 CG2 VAL A 804 -7.125 35.530 -3.716 1.00 67.54 C ATOM 1734 HN3 VAL A 804 -9.438 36.760 -1.622 1.00 0.00 H ATOM 1735 HN2 VAL A 804 -10.721 35.898 -2.327 1.00 0.00 H ATOM 1736 HN1 VAL A 804 -9.455 36.480 -3.298 1.00 0.00 H ATOM 1737 N LEU A 805 -9.909 33.011 -0.841 1.00 54.42 N ATOM 1738 CA LEU A 805 -10.606 32.472 0.319 1.00 51.27 C ATOM 1739 C LEU A 805 -10.509 30.950 0.428 1.00 46.93 C ATOM 1740 O LEU A 805 -10.654 30.251 -0.571 1.00 45.28 O ATOM 1741 CB LEU A 805 -12.086 32.879 0.246 1.00 53.38 C ATOM 1742 CG LEU A 805 -12.387 34.386 0.247 1.00 56.78 C ATOM 1743 CD1 LEU A 805 -13.862 34.651 -0.022 1.00 58.75 C ATOM 1744 CD2 LEU A 805 -11.964 35.029 1.561 1.00 56.83 C ATOM 1745 H LEU A 805 -9.908 32.464 -1.725 1.00 0.00 H ATOM 1746 N PRO A 806 -10.288 30.434 1.658 1.00 43.01 N ATOM 1747 CA PRO A 806 -10.131 29.006 1.903 1.00 39.99 C ATOM 1748 C PRO A 806 -11.491 28.327 1.974 1.00 39.72 C ATOM 1749 O PRO A 806 -11.880 27.812 3.034 1.00 37.77 O ATOM 1750 CB PRO A 806 -9.429 28.968 3.270 1.00 38.65 C ATOM 1751 CG PRO A 806 -9.951 30.167 3.976 1.00 39.02 C ATOM 1752 CD PRO A 806 -10.127 31.218 2.905 1.00 41.79 C ATOM 1753 N ILE A 807 -12.186 28.311 0.840 1.00 41.04 N ATOM 1754 CA ILE A 807 -13.608 27.952 0.796 1.00 41.12 C ATOM 1755 C ILE A 807 -13.960 26.558 1.337 1.00 39.95 C ATOM 1756 O ILE A 807 -15.052 26.370 1.862 1.00 38.80 O ATOM 1757 CB ILE A 807 -14.229 28.122 -0.619 1.00 42.41 C ATOM 1758 CG1 ILE A 807 -13.480 27.286 -1.671 1.00 43.38 C ATOM 1759 CG2 ILE A 807 -14.278 29.590 -0.991 1.00 43.58 C ATOM 1760 CD1 ILE A 807 -14.090 27.354 -3.061 1.00 44.46 C ATOM 1761 H ILE A 807 -11.704 28.562 -0.047 1.00 0.00 H ATOM 1762 N ARG A 808 -13.054 25.590 1.212 1.00 37.98 N ATOM 1763 CA ARG A 808 -13.356 24.245 1.673 1.00 36.68 C ATOM 1764 C ARG A 808 -13.382 24.143 3.190 1.00 35.04 C ATOM 1765 O ARG A 808 -13.948 23.193 3.719 1.00 36.22 O ATOM 1766 CB ARG A 808 -12.383 23.235 1.065 1.00 35.43 C ATOM 1767 CG ARG A 808 -12.560 23.122 -0.437 1.00 36.80 C ATOM 1768 CD ARG A 808 -11.381 22.438 -1.131 1.00 37.74 C ATOM 1769 NE ARG A 808 -11.535 22.569 -2.570 1.00 39.92 N ATOM 1770 CZ ARG A 808 -12.237 21.743 -3.343 1.00 40.91 C ATOM 1771 NH1 ARG A 808 -12.817 20.659 -2.849 1.00 39.99 N ATOM 1772 NH2 ARG A 808 -12.345 21.998 -4.632 1.00 43.32 N ATOM 1773 HE ARG A 808 -11.060 23.370 -3.032 1.00 0.00 H ATOM 1774 HH12 ARG A 808 -13.360 20.029 -3.474 1.00 0.00 H ATOM 1775 HH11 ARG A 808 -12.729 20.438 -1.837 1.00 0.00 H ATOM 1776 HH22 ARG A 808 -12.891 21.359 -5.245 1.00 0.00 H ATOM 1777 HH21 ARG A 808 -11.884 22.838 -5.036 1.00 0.00 H ATOM 1778 H ARG A 808 -12.129 25.797 0.784 1.00 0.00 H ATOM 1779 N TRP A 809 -12.778 25.114 3.873 1.00 35.30 N ATOM 1780 CA TRP A 809 -12.762 25.188 5.354 1.00 34.25 C ATOM 1781 C TRP A 809 -13.803 26.191 5.886 1.00 35.21 C ATOM 1782 O TRP A 809 -13.968 26.365 7.092 1.00 34.33 O ATOM 1783 CB TRP A 809 -11.349 25.582 5.839 1.00 33.06 C ATOM 1784 CG TRP A 809 -10.358 24.445 5.798 1.00 32.71 C ATOM 1785 CD1 TRP A 809 -9.965 23.668 6.851 1.00 31.72 C ATOM 1786 CD2 TRP A 809 -9.641 23.954 4.648 1.00 32.11 C ATOM 1787 NE1 TRP A 809 -9.050 22.722 6.433 1.00 31.36 N ATOM 1788 CE2 TRP A 809 -8.838 22.873 5.085 1.00 32.39 C ATOM 1789 CE3 TRP A 809 -9.611 24.312 3.294 1.00 32.51 C ATOM 1790 CZ2 TRP A 809 -8.015 22.147 4.207 1.00 31.97 C ATOM 1791 CZ3 TRP A 809 -8.798 23.600 2.430 1.00 32.89 C ATOM 1792 CH2 TRP A 809 -8.020 22.524 2.876 1.00 31.82 C ATOM 1793 HE1 TRP A 809 -8.595 22.011 7.041 1.00 0.00 H ATOM 1794 H TRP A 809 -12.291 25.861 3.338 1.00 0.00 H ATOM 1795 N MET A 810 -14.517 26.847 4.981 1.00 37.60 N ATOM 1796 CA MET A 810 -15.377 27.958 5.371 1.00 37.72 C ATOM 1797 C MET A 810 -16.835 27.521 5.581 1.00 36.53 C ATOM 1798 O MET A 810 -17.396 26.760 4.811 1.00 37.22 O ATOM 1799 CB MET A 810 -15.298 29.066 4.333 1.00 38.06 C ATOM 1800 CG MET A 810 -14.078 29.938 4.504 1.00 38.02 C ATOM 1801 SD MET A 810 -13.856 30.890 3.005 1.00 43.36 S ATOM 1802 CE MET A 810 -15.242 32.034 3.079 1.00 44.54 C ATOM 1803 H MET A 810 -14.463 26.566 3.981 1.00 0.00 H ATOM 1804 N ALA A 811 -17.427 28.049 6.636 1.00 34.98 N ATOM 1805 CA ALA A 811 -18.824 27.879 6.931 1.00 35.35 C ATOM 1806 C ALA A 811 -19.677 28.492 5.836 1.00 37.26 C ATOM 1807 O ALA A 811 -19.242 29.409 5.146 1.00 38.87 O ATOM 1808 CB ALA A 811 -19.139 28.539 8.281 1.00 35.27 C ATOM 1809 H ALA A 811 -16.852 28.619 7.289 1.00 0.00 H ATOM 1810 N TRP A 812 -20.893 27.975 5.683 1.00 37.45 N ATOM 1811 CA TRP A 812 -21.779 28.433 4.622 1.00 40.80 C ATOM 1812 C TRP A 812 -22.009 29.941 4.748 1.00 41.70 C ATOM 1813 O TRP A 812 -21.973 30.658 3.758 1.00 42.43 O ATOM 1814 CB TRP A 812 -23.115 27.650 4.607 1.00 40.21 C ATOM 1815 CG TRP A 812 -24.050 27.933 5.785 1.00 40.29 C ATOM 1816 CD1 TRP A 812 -24.148 27.212 6.934 1.00 39.06 C ATOM 1817 CD2 TRP A 812 -24.980 29.020 5.916 1.00 42.86 C ATOM 1818 NE1 TRP A 812 -25.075 27.772 7.770 1.00 40.16 N ATOM 1819 CE2 TRP A 812 -25.599 28.888 7.171 1.00 43.22 C ATOM 1820 CE3 TRP A 812 -25.344 30.093 5.094 1.00 45.16 C ATOM 1821 CZ2 TRP A 812 -26.575 29.786 7.629 1.00 46.24 C ATOM 1822 CZ3 TRP A 812 -26.303 30.991 5.549 1.00 48.90 C ATOM 1823 CH2 TRP A 812 -26.908 30.835 6.811 1.00 48.64 C ATOM 1824 HE1 TRP A 812 -25.339 27.410 8.708 1.00 0.00 H ATOM 1825 H TRP A 812 -21.217 27.230 6.333 1.00 0.00 H ATOM 1826 N GLU A 813 -22.217 30.426 5.965 1.00 40.89 N ATOM 1827 CA GLU A 813 -22.522 31.842 6.128 1.00 43.26 C ATOM 1828 C GLU A 813 -21.340 32.730 5.705 1.00 44.42 C ATOM 1829 O GLU A 813 -21.562 33.834 5.225 1.00 46.57 O ATOM 1830 CB GLU A 813 -22.985 32.177 7.553 1.00 42.55 C ATOM 1831 CG GLU A 813 -21.913 32.103 8.639 1.00 41.46 C ATOM 1832 CD GLU A 813 -21.776 30.744 9.273 1.00 38.95 C ATOM 1833 OE1 GLU A 813 -22.397 29.761 8.795 1.00 39.64 O ATOM 1834 OE2 GLU A 813 -21.014 30.648 10.246 1.00 38.04 O ATOM 1835 H GLU A 813 -22.163 29.802 6.795 1.00 0.00 H ATOM 1836 N CYS A 814 -20.110 32.246 5.865 1.00 45.84 N ATOM 1837 CA CYS A 814 -18.921 32.969 5.390 1.00 48.95 C ATOM 1838 C CYS A 814 -18.950 33.080 3.891 1.00 48.76 C ATOM 1839 O CYS A 814 -18.737 34.146 3.342 1.00 51.88 O ATOM 1840 CB CYS A 814 -17.620 32.240 5.732 1.00 48.76 C ATOM 1841 SG CYS A 814 -17.391 31.794 7.448 1.00 52.61 S ATOM 1842 H CYS A 814 -19.987 31.329 6.340 1.00 0.00 H ATOM 1843 N ILE A 815 -19.198 31.957 3.233 1.00 47.77 N ATOM 1844 CA ILE A 815 -19.229 31.923 1.782 1.00 50.58 C ATOM 1845 C ILE A 815 -20.382 32.792 1.262 1.00 53.75 C ATOM 1846 O ILE A 815 -20.180 33.564 0.343 1.00 54.70 O ATOM 1847 CB ILE A 815 -19.325 30.468 1.255 1.00 49.16 C ATOM 1848 CG1 ILE A 815 -18.040 29.699 1.593 1.00 46.32 C ATOM 1849 CG2 ILE A 815 -19.552 30.454 -0.250 1.00 52.01 C ATOM 1850 CD1 ILE A 815 -18.162 28.195 1.526 1.00 44.63 C ATOM 1851 H ILE A 815 -19.374 31.082 3.767 1.00 0.00 H ATOM 1852 N LEU A 816 -21.563 32.690 1.878 1.00 54.46 N ATOM 1853 CA LEU A 816 -22.786 33.322 1.345 1.00 59.24 C ATOM 1854 C LEU A 816 -22.987 34.786 1.722 1.00 63.09 C ATOM 1855 O LEU A 816 -23.883 35.438 1.195 1.00 72.46 O ATOM 1856 CB LEU A 816 -24.037 32.520 1.716 1.00 58.68 C ATOM 1857 CG LEU A 816 -24.368 31.369 0.763 1.00 59.44 C ATOM 1858 CD1 LEU A 816 -23.326 30.263 0.858 1.00 57.78 C ATOM 1859 CD2 LEU A 816 -25.745 30.806 1.070 1.00 60.14 C ATOM 1860 H LEU A 816 -21.623 32.147 2.763 1.00 0.00 H ATOM 1861 N MET A 817 -22.222 35.223 2.724 1.00 62.92 N ATOM 1862 CA MET A 817 -22.388 36.534 3.355 1.00 66.27 C ATOM 1863 C MET A 817 -21.074 37.225 3.792 1.00 66.83 C ATOM 1864 O MET A 817 -21.042 38.450 3.843 1.00 70.52 O ATOM 1865 CB MET A 817 -23.344 36.427 4.561 1.00 66.31 C ATOM 1866 CG MET A 817 -24.658 35.705 4.272 1.00 67.29 C ATOM 1867 SD MET A 817 -25.918 35.775 5.569 1.00 69.56 S ATOM 1868 CE MET A 817 -25.255 34.665 6.802 1.00 65.51 C ATOM 1869 H MET A 817 -21.468 34.599 3.076 1.00 0.00 H ATOM 1870 N GLY A 818 -20.002 36.475 4.086 1.00 66.06 N ATOM 1871 CA GLY A 818 -18.821 37.045 4.732 1.00 65.77 C ATOM 1872 C GLY A 818 -18.930 37.317 6.215 1.00 65.37 C ATOM 1873 O GLY A 818 -18.230 38.184 6.724 1.00 67.24 O ATOM 1874 H GLY A 818 -20.011 35.463 3.849 1.00 0.00 H ATOM 1875 N LYS A 819 -19.791 36.583 6.916 1.00 63.72 N ATOM 1876 CA LYS A 819 -19.831 36.655 8.374 1.00 63.41 C ATOM 1877 C LYS A 819 -18.795 35.674 8.964 1.00 58.88 C ATOM 1878 O LYS A 819 -19.019 34.459 8.978 1.00 61.18 O ATOM 1879 CB LYS A 819 -21.244 36.353 8.884 1.00 63.94 C ATOM 1880 H LYS A 819 -20.446 35.948 6.417 1.00 0.00 H ATOM 1881 N PHE A 820 -17.653 36.208 9.402 1.00 55.61 N ATOM 1882 CA PHE A 820 -16.604 35.425 10.099 1.00 51.53 C ATOM 1883 C PHE A 820 -16.691 35.596 11.619 1.00 49.40 C ATOM 1884 O PHE A 820 -16.736 36.720 12.116 1.00 51.71 O ATOM 1885 CB PHE A 820 -15.207 35.829 9.635 1.00 51.91 C ATOM 1886 CG PHE A 820 -14.850 35.324 8.258 1.00 52.68 C ATOM 1887 CD1 PHE A 820 -14.278 34.076 8.091 1.00 48.84 C ATOM 1888 CD2 PHE A 820 -15.072 36.115 7.131 1.00 55.08 C ATOM 1889 CE1 PHE A 820 -13.937 33.610 6.828 1.00 51.38 C ATOM 1890 CE2 PHE A 820 -14.732 35.657 5.863 1.00 55.20 C ATOM 1891 CZ PHE A 820 -14.157 34.405 5.708 1.00 51.20 C ATOM 1892 H PHE A 820 -17.491 37.223 9.247 1.00 0.00 H ATOM 1893 N THR A 821 -16.728 34.474 12.337 1.00 43.30 N ATOM 1894 CA THR A 821 -16.932 34.451 13.782 1.00 42.00 C ATOM 1895 C THR A 821 -16.209 33.247 14.363 1.00 38.71 C ATOM 1896 O THR A 821 -15.669 32.419 13.625 1.00 36.42 O ATOM 1897 CB THR A 821 -18.424 34.314 14.152 1.00 43.52 C ATOM 1898 OG1 THR A 821 -18.902 33.023 13.742 1.00 42.36 O ATOM 1899 CG2 THR A 821 -19.275 35.429 13.505 1.00 44.97 C ATOM 1900 HG1 THR A 821 -18.794 32.928 12.762 1.00 0.00 H ATOM 1901 H THR A 821 -16.605 33.568 11.842 1.00 0.00 H ATOM 1902 N THR A 822 -16.183 33.169 15.684 1.00 38.63 N ATOM 1903 CA THR A 822 -15.685 31.997 16.389 1.00 37.26 C ATOM 1904 C THR A 822 -16.499 30.783 15.965 1.00 36.50 C ATOM 1905 O THR A 822 -15.953 29.670 15.844 1.00 36.02 O ATOM 1906 CB THR A 822 -15.731 32.209 17.920 1.00 38.94 C ATOM 1907 OG1 THR A 822 -14.844 33.284 18.284 1.00 40.42 O ATOM 1908 CG2 THR A 822 -15.310 30.960 18.679 1.00 37.65 C ATOM 1909 HG1 THR A 822 -13.921 33.055 18.010 1.00 0.00 H ATOM 1910 H THR A 822 -16.532 33.976 16.240 1.00 0.00 H ATOM 1911 N ALA A 823 -17.778 31.004 15.663 1.00 36.73 N ATOM 1912 CA ALA A 823 -18.648 29.926 15.169 1.00 37.15 C ATOM 1913 C ALA A 823 -18.174 29.362 13.812 1.00 36.15 C ATOM 1914 O ALA A 823 -18.256 28.147 13.578 1.00 34.49 O ATOM 1915 CB ALA A 823 -20.104 30.394 15.084 1.00 38.59 C ATOM 1916 H ALA A 823 -18.170 31.960 15.779 1.00 0.00 H ATOM 1917 N SER A 824 -17.700 30.244 12.928 1.00 36.29 N ATOM 1918 CA SER A 824 -17.095 29.816 11.681 1.00 35.52 C ATOM 1919 C SER A 824 -15.694 29.214 11.906 1.00 35.30 C ATOM 1920 O SER A 824 -15.306 28.308 11.170 1.00 35.49 O ATOM 1921 CB SER A 824 -17.100 30.922 10.616 1.00 37.73 C ATOM 1922 OG SER A 824 -16.225 32.006 10.933 1.00 39.98 O ATOM 1923 HG SER A 824 -15.298 31.668 11.012 1.00 0.00 H ATOM 1924 H SER A 824 -17.766 31.260 13.138 1.00 0.00 H ATOM 1925 N ASP A 825 -14.952 29.667 12.922 1.00 34.59 N ATOM 1926 CA ASP A 825 -13.713 28.955 13.323 1.00 33.56 C ATOM 1927 C ASP A 825 -14.007 27.508 13.801 1.00 31.95 C ATOM 1928 O ASP A 825 -13.232 26.609 13.538 1.00 31.69 O ATOM 1929 CB ASP A 825 -12.933 29.701 14.418 1.00 34.19 C ATOM 1930 CG ASP A 825 -12.152 30.908 13.898 1.00 36.85 C ATOM 1931 OD1 ASP A 825 -11.890 31.019 12.676 1.00 41.03 O ATOM 1932 OD2 ASP A 825 -11.786 31.765 14.732 1.00 38.42 O ATOM 1933 H ASP A 825 -15.245 30.523 13.434 1.00 0.00 H ATOM 1934 N VAL A 826 -15.107 27.297 14.518 1.00 32.00 N ATOM 1935 CA VAL A 826 -15.532 25.942 14.913 1.00 30.96 C ATOM 1936 C VAL A 826 -15.832 25.053 13.693 1.00 30.96 C ATOM 1937 O VAL A 826 -15.476 23.866 13.678 1.00 28.61 O ATOM 1938 CB VAL A 826 -16.762 26.004 15.836 1.00 32.50 C ATOM 1939 CG1 VAL A 826 -17.377 24.648 16.073 1.00 32.52 C ATOM 1940 CG2 VAL A 826 -16.367 26.611 17.171 1.00 34.53 C ATOM 1941 H VAL A 826 -15.684 28.112 14.809 1.00 0.00 H ATOM 1942 N TRP A 827 -16.499 25.626 12.692 1.00 31.19 N ATOM 1943 CA TRP A 827 -16.756 24.940 11.446 1.00 31.15 C ATOM 1944 C TRP A 827 -15.422 24.512 10.839 1.00 32.64 C ATOM 1945 O TRP A 827 -15.266 23.338 10.467 1.00 31.90 O ATOM 1946 CB TRP A 827 -17.526 25.855 10.483 1.00 33.35 C ATOM 1947 CG TRP A 827 -17.900 25.221 9.142 1.00 32.96 C ATOM 1948 CD1 TRP A 827 -17.046 24.795 8.169 1.00 33.14 C ATOM 1949 CD2 TRP A 827 -19.225 24.956 8.653 1.00 34.70 C ATOM 1950 NE1 TRP A 827 -17.743 24.280 7.112 1.00 33.58 N ATOM 1951 CE2 TRP A 827 -19.086 24.372 7.378 1.00 34.82 C ATOM 1952 CE3 TRP A 827 -20.513 25.156 9.172 1.00 36.22 C ATOM 1953 CZ2 TRP A 827 -20.187 23.988 6.607 1.00 36.10 C ATOM 1954 CZ3 TRP A 827 -21.599 24.777 8.422 1.00 37.78 C ATOM 1955 CH2 TRP A 827 -21.434 24.204 7.139 1.00 37.94 C ATOM 1956 HE1 TRP A 827 -17.324 23.883 6.247 1.00 0.00 H ATOM 1957 H TRP A 827 -16.846 26.599 12.811 1.00 0.00 H ATOM 1958 N ALA A 828 -14.470 25.454 10.745 1.00 32.03 N ATOM 1959 CA ALA A 828 -13.127 25.150 10.248 1.00 31.53 C ATOM 1960 C ALA A 828 -12.392 24.131 11.098 1.00 30.58 C ATOM 1961 O ALA A 828 -11.626 23.308 10.576 1.00 30.56 O ATOM 1962 CB ALA A 828 -12.278 26.419 10.095 1.00 32.74 C ATOM 1963 H ALA A 828 -14.693 26.428 11.034 1.00 0.00 H ATOM 1964 N PHE A 829 -12.592 24.181 12.405 1.00 29.80 N ATOM 1965 CA PHE A 829 -11.970 23.221 13.277 1.00 29.37 C ATOM 1966 C PHE A 829 -12.459 21.843 12.916 1.00 29.80 C ATOM 1967 O PHE A 829 -11.679 20.890 12.886 1.00 29.44 O ATOM 1968 CB PHE A 829 -12.286 23.498 14.763 1.00 31.76 C ATOM 1969 CG PHE A 829 -11.738 22.437 15.677 1.00 31.02 C ATOM 1970 CD1 PHE A 829 -10.409 22.435 16.015 1.00 31.97 C ATOM 1971 CD2 PHE A 829 -12.540 21.406 16.134 1.00 31.89 C ATOM 1972 CE1 PHE A 829 -9.875 21.443 16.808 1.00 32.52 C ATOM 1973 CE2 PHE A 829 -12.014 20.397 16.927 1.00 32.14 C ATOM 1974 CZ PHE A 829 -10.686 20.415 17.260 1.00 33.43 C ATOM 1975 H PHE A 829 -13.204 24.921 12.805 1.00 0.00 H ATOM 1976 N GLY A 830 -13.768 21.722 12.678 1.00 29.82 N ATOM 1977 CA GLY A 830 -14.332 20.455 12.229 1.00 30.22 C ATOM 1978 C GLY A 830 -13.643 19.898 11.000 1.00 30.93 C ATOM 1979 O GLY A 830 -13.273 18.706 10.961 1.00 29.90 O ATOM 1980 H GLY A 830 -14.393 22.542 12.815 1.00 0.00 H ATOM 1981 N VAL A 831 -13.448 20.749 9.984 1.00 28.91 N ATOM 1982 CA VAL A 831 -12.756 20.302 8.758 1.00 27.95 C ATOM 1983 C VAL A 831 -11.287 19.945 9.064 1.00 28.12 C ATOM 1984 O VAL A 831 -10.729 19.006 8.496 1.00 29.51 O ATOM 1985 CB VAL A 831 -12.802 21.370 7.656 1.00 28.57 C ATOM 1986 CG1 VAL A 831 -12.054 20.898 6.407 1.00 29.63 C ATOM 1987 CG2 VAL A 831 -14.245 21.729 7.297 1.00 28.15 C ATOM 1988 H VAL A 831 -13.786 21.730 10.059 1.00 0.00 H ATOM 1989 N THR A 832 -10.678 20.692 9.976 1.00 27.44 N ATOM 1990 CA THR A 832 -9.310 20.468 10.377 1.00 28.89 C ATOM 1991 C THR A 832 -9.192 19.151 11.123 1.00 28.33 C ATOM 1992 O THR A 832 -8.241 18.419 10.930 1.00 27.90 O ATOM 1993 CB THR A 832 -8.787 21.656 11.222 1.00 30.36 C ATOM 1994 OG1 THR A 832 -8.751 22.831 10.400 1.00 30.60 O ATOM 1995 CG2 THR A 832 -7.402 21.396 11.729 1.00 32.15 C ATOM 1996 HG1 THR A 832 -9.663 23.030 10.071 1.00 0.00 H ATOM 1997 H THR A 832 -11.207 21.470 10.419 1.00 0.00 H ATOM 1998 N LEU A 833 -10.162 18.859 11.980 1.00 29.42 N ATOM 1999 CA LEU A 833 -10.225 17.564 12.641 1.00 31.10 C ATOM 2000 C LEU A 833 -10.323 16.422 11.638 1.00 31.87 C ATOM 2001 O LEU A 833 -9.690 15.363 11.817 1.00 31.48 O ATOM 2002 CB LEU A 833 -11.404 17.518 13.616 1.00 31.93 C ATOM 2003 CG LEU A 833 -11.602 16.249 14.445 1.00 32.41 C ATOM 2004 CD1 LEU A 833 -10.304 15.801 15.099 1.00 33.87 C ATOM 2005 CD2 LEU A 833 -12.688 16.500 15.491 1.00 33.12 C ATOM 2006 H LEU A 833 -10.893 19.571 12.184 1.00 0.00 H ATOM 2007 N TRP A 834 -11.101 16.644 10.580 1.00 30.55 N ATOM 2008 CA TRP A 834 -11.199 15.683 9.464 1.00 30.84 C ATOM 2009 C TRP A 834 -9.847 15.490 8.757 1.00 30.47 C ATOM 2010 O TRP A 834 -9.458 14.365 8.487 1.00 31.17 O ATOM 2011 CB TRP A 834 -12.288 16.128 8.475 1.00 31.16 C ATOM 2012 CG TRP A 834 -12.633 15.148 7.407 1.00 30.10 C ATOM 2013 CD1 TRP A 834 -13.587 14.160 7.472 1.00 30.53 C ATOM 2014 CD2 TRP A 834 -12.070 15.078 6.100 1.00 30.67 C ATOM 2015 NE1 TRP A 834 -13.625 13.458 6.285 1.00 31.62 N ATOM 2016 CE2 TRP A 834 -12.707 13.993 5.422 1.00 32.39 C ATOM 2017 CE3 TRP A 834 -11.085 15.809 5.430 1.00 30.79 C ATOM 2018 CZ2 TRP A 834 -12.386 13.630 4.107 1.00 32.58 C ATOM 2019 CZ3 TRP A 834 -10.750 15.437 4.123 1.00 32.25 C ATOM 2020 CH2 TRP A 834 -11.418 14.374 3.467 1.00 33.52 C ATOM 2021 HE1 TRP A 834 -14.250 12.653 6.079 1.00 0.00 H ATOM 2022 H TRP A 834 -11.657 17.522 10.539 1.00 0.00 H ATOM 2023 N GLU A 835 -9.126 16.567 8.464 1.00 29.91 N ATOM 2024 CA GLU A 835 -7.797 16.421 7.855 1.00 30.86 C ATOM 2025 C GLU A 835 -6.897 15.515 8.706 1.00 33.29 C ATOM 2026 O GLU A 835 -6.287 14.585 8.213 1.00 33.61 O ATOM 2027 CB GLU A 835 -7.105 17.773 7.745 1.00 32.11 C ATOM 2028 CG GLU A 835 -7.741 18.789 6.811 1.00 31.36 C ATOM 2029 CD GLU A 835 -6.912 20.043 6.797 1.00 32.39 C ATOM 2030 OE1 GLU A 835 -5.928 20.060 6.024 1.00 34.41 O ATOM 2031 OE2 GLU A 835 -7.194 20.981 7.596 1.00 30.91 O ATOM 2032 H GLU A 835 -9.503 17.515 8.666 1.00 0.00 H ATOM 2033 N VAL A 836 -6.832 15.819 10.004 1.00 34.00 N ATOM 2034 CA VAL A 836 -5.988 15.114 10.944 1.00 34.98 C ATOM 2035 C VAL A 836 -6.308 13.620 10.937 1.00 37.68 C ATOM 2036 O VAL A 836 -5.417 12.788 10.732 1.00 39.77 O ATOM 2037 CB VAL A 836 -6.171 15.684 12.354 1.00 34.26 C ATOM 2038 CG1 VAL A 836 -5.539 14.781 13.422 1.00 35.62 C ATOM 2039 CG2 VAL A 836 -5.590 17.091 12.411 1.00 34.77 C ATOM 2040 H VAL A 836 -7.418 16.602 10.358 1.00 0.00 H ATOM 2041 N LEU A 837 -7.582 13.296 11.153 1.00 35.95 N ATOM 2042 CA LEU A 837 -8.038 11.921 11.105 1.00 37.32 C ATOM 2043 C LEU A 837 -7.883 11.267 9.746 1.00 38.16 C ATOM 2044 O LEU A 837 -7.843 10.045 9.683 1.00 37.67 O ATOM 2045 CB LEU A 837 -9.482 11.819 11.557 1.00 38.60 C ATOM 2046 CG LEU A 837 -9.624 12.092 13.054 1.00 40.85 C ATOM 2047 CD1 LEU A 837 -11.093 12.217 13.405 1.00 42.92 C ATOM 2048 CD2 LEU A 837 -8.971 11.001 13.886 1.00 42.06 C ATOM 2049 H LEU A 837 -8.268 14.050 11.362 1.00 0.00 H ATOM 2050 N MET A 838 -7.791 12.065 8.675 1.00 35.33 N ATOM 2051 CA MET A 838 -7.424 11.535 7.363 1.00 37.54 C ATOM 2052 C MET A 838 -5.911 11.458 7.154 1.00 39.03 C ATOM 2053 O MET A 838 -5.481 11.062 6.089 1.00 38.81 O ATOM 2054 CB MET A 838 -8.041 12.379 6.225 1.00 36.97 C ATOM 2055 CG MET A 838 -9.569 12.276 6.108 1.00 37.09 C ATOM 2056 SD MET A 838 -10.197 10.647 5.624 1.00 39.41 S ATOM 2057 CE MET A 838 -9.608 10.503 3.957 1.00 42.70 C ATOM 2058 H MET A 838 -7.984 13.082 8.778 1.00 0.00 H ATOM 2059 N LEU A 839 -5.116 11.843 8.158 1.00 39.69 N ATOM 2060 CA LEU A 839 -3.670 12.091 7.975 1.00 41.17 C ATOM 2061 C LEU A 839 -3.355 12.911 6.722 1.00 41.16 C ATOM 2062 O LEU A 839 -2.367 12.655 6.029 1.00 42.94 O ATOM 2063 CB LEU A 839 -2.888 10.790 7.925 1.00 44.02 C ATOM 2064 CG LEU A 839 -2.664 10.068 9.242 1.00 45.91 C ATOM 2065 CD1 LEU A 839 -3.982 9.728 9.873 1.00 45.72 C ATOM 2066 CD2 LEU A 839 -1.854 8.801 8.964 1.00 49.78 C ATOM 2067 H LEU A 839 -5.530 11.973 9.103 1.00 0.00 H ATOM 2068 N CYS A 840 -4.198 13.892 6.427 1.00 39.70 N ATOM 2069 CA CYS A 840 -3.904 14.876 5.370 1.00 40.18 C ATOM 2070 C CYS A 840 -3.689 14.249 3.990 1.00 40.98 C ATOM 2071 O CYS A 840 -2.932 14.760 3.166 1.00 43.46 O ATOM 2072 CB CYS A 840 -2.716 15.771 5.799 1.00 40.71 C ATOM 2073 SG CYS A 840 -3.127 16.739 7.282 1.00 41.08 S ATOM 2074 H CYS A 840 -5.090 13.969 6.956 1.00 0.00 H ATOM 2075 N ARG A 841 -4.377 13.143 3.745 1.00 41.12 N ATOM 2076 CA ARG A 841 -4.281 12.422 2.484 1.00 44.22 C ATOM 2077 C ARG A 841 -5.297 12.879 1.456 1.00 43.62 C ATOM 2078 O ARG A 841 -5.230 12.443 0.325 1.00 48.06 O ATOM 2079 CB ARG A 841 -4.516 10.911 2.706 1.00 46.05 C ATOM 2080 CG ARG A 841 -3.455 10.212 3.533 1.00 48.10 C ATOM 2081 CD ARG A 841 -2.106 10.419 2.870 1.00 51.07 C ATOM 2082 NE ARG A 841 -1.119 9.444 3.305 1.00 54.17 N ATOM 2083 CZ ARG A 841 -0.488 9.472 4.475 1.00 52.84 C ATOM 2084 NH1 ARG A 841 -0.759 10.419 5.376 1.00 49.16 N ATOM 2085 NH2 ARG A 841 0.406 8.526 4.746 1.00 53.88 N ATOM 2086 HE ARG A 841 -0.890 8.667 2.653 1.00 0.00 H ATOM 2087 HH12 ARG A 841 -0.258 10.429 6.287 1.00 0.00 H ATOM 2088 HH11 ARG A 841 -1.471 11.147 5.167 1.00 0.00 H ATOM 2089 HH22 ARG A 841 0.909 8.532 5.656 1.00 0.00 H ATOM 2090 HH21 ARG A 841 0.602 7.780 4.048 1.00 0.00 H ATOM 2091 H ARG A 841 -5.011 12.776 4.483 1.00 0.00 H ATOM 2092 N ALA A 842 -6.275 13.692 1.833 1.00 41.14 N ATOM 2093 CA ALA A 842 -7.199 14.221 0.822 1.00 40.90 C ATOM 2094 C ALA A 842 -7.664 15.616 1.143 1.00 37.47 C ATOM 2095 O ALA A 842 -7.863 15.963 2.297 1.00 37.44 O ATOM 2096 CB ALA A 842 -8.396 13.305 0.658 1.00 41.25 C ATOM 2097 H ALA A 842 -6.386 13.952 2.834 1.00 0.00 H ATOM 2098 N GLN A 843 -7.833 16.408 0.100 1.00 38.67 N ATOM 2099 CA GLN A 843 -8.343 17.757 0.224 1.00 38.73 C ATOM 2100 C GLN A 843 -9.799 17.621 0.594 1.00 36.31 C ATOM 2101 O GLN A 843 -10.509 16.882 -0.049 1.00 37.22 O ATOM 2102 CB GLN A 843 -8.233 18.531 -1.087 1.00 40.21 C ATOM 2103 CG GLN A 843 -8.620 19.995 -0.910 1.00 40.90 C ATOM 2104 CD GLN A 843 -8.490 20.802 -2.185 1.00 41.08 C ATOM 2105 OE1 GLN A 843 -8.991 20.397 -3.216 1.00 41.83 O ATOM 2106 NE2 GLN A 843 -7.842 21.968 -2.105 1.00 40.28 N ATOM 2107 HE22 GLN A 843 -7.430 22.273 -1.200 1.00 0.00 H ATOM 2108 HE21 GLN A 843 -7.750 22.571 -2.948 1.00 0.00 H ATOM 2109 H GLN A 843 -7.591 16.049 -0.846 1.00 0.00 H ATOM 2110 N PRO A 844 -10.245 18.331 1.639 1.00 35.33 N ATOM 2111 CA PRO A 844 -11.662 18.300 2.001 1.00 35.50 C ATOM 2112 C PRO A 844 -12.556 18.623 0.802 1.00 35.50 C ATOM 2113 O PRO A 844 -12.253 19.541 0.047 1.00 33.12 O ATOM 2114 CB PRO A 844 -11.784 19.390 3.069 1.00 35.31 C ATOM 2115 CG PRO A 844 -10.397 19.582 3.592 1.00 34.93 C ATOM 2116 CD PRO A 844 -9.458 19.224 2.502 1.00 34.58 C ATOM 2117 N PHE A 845 -13.610 17.821 0.613 1.00 36.12 N ATOM 2118 CA PHE A 845 -14.524 17.966 -0.529 1.00 36.39 C ATOM 2119 C PHE A 845 -13.825 17.814 -1.870 1.00 38.02 C ATOM 2120 O PHE A 845 -14.244 18.424 -2.846 1.00 40.36 O ATOM 2121 CB PHE A 845 -15.276 19.308 -0.511 1.00 35.35 C ATOM 2122 CG PHE A 845 -16.064 19.551 0.735 1.00 34.88 C ATOM 2123 CD1 PHE A 845 -17.256 18.877 0.964 1.00 35.38 C ATOM 2124 CD2 PHE A 845 -15.625 20.471 1.674 1.00 35.14 C ATOM 2125 CE1 PHE A 845 -17.984 19.106 2.115 1.00 35.47 C ATOM 2126 CE2 PHE A 845 -16.351 20.697 2.829 1.00 34.96 C ATOM 2127 CZ PHE A 845 -17.523 20.010 3.058 1.00 33.52 C ATOM 2128 H PHE A 845 -13.790 17.064 1.303 1.00 0.00 H ATOM 2129 N GLY A 846 -12.772 17.010 -1.938 1.00 40.36 N ATOM 2130 CA GLY A 846 -12.072 16.777 -3.205 1.00 42.76 C ATOM 2131 C GLY A 846 -12.963 16.225 -4.318 1.00 49.45 C ATOM 2132 O GLY A 846 -12.615 16.292 -5.505 1.00 53.65 O ATOM 2133 H GLY A 846 -12.436 16.536 -1.076 1.00 0.00 H ATOM 2134 N GLN A 847 -14.118 15.678 -3.945 1.00 49.12 N ATOM 2135 CA GLN A 847 -15.092 15.262 -4.925 1.00 52.08 C ATOM 2136 C GLN A 847 -15.863 16.434 -5.559 1.00 53.44 C ATOM 2137 O GLN A 847 -16.558 16.223 -6.556 1.00 55.52 O ATOM 2138 CB GLN A 847 -16.050 14.185 -4.357 1.00 52.13 C ATOM 2139 CG GLN A 847 -17.133 14.644 -3.394 1.00 50.73 C ATOM 2140 CD GLN A 847 -16.633 14.774 -1.966 1.00 50.67 C ATOM 2141 OE1 GLN A 847 -15.481 15.122 -1.732 1.00 48.85 O ATOM 2142 NE2 GLN A 847 -17.506 14.519 -1.005 1.00 51.86 N ATOM 2143 HE22 GLN A 847 -18.474 14.226 -1.246 1.00 0.00 H ATOM 2144 HE21 GLN A 847 -17.224 14.611 -0.008 1.00 0.00 H ATOM 2145 H GLN A 847 -14.321 15.549 -2.933 1.00 0.00 H ATOM 2146 N LEU A 848 -15.749 17.643 -4.987 1.00 49.02 N ATOM 2147 CA LEU A 848 -16.408 18.837 -5.515 1.00 46.77 C ATOM 2148 C LEU A 848 -15.385 19.822 -6.069 1.00 47.56 C ATOM 2149 O LEU A 848 -14.371 20.090 -5.429 1.00 43.73 O ATOM 2150 CB LEU A 848 -17.201 19.570 -4.434 1.00 45.54 C ATOM 2151 CG LEU A 848 -18.328 18.871 -3.678 1.00 45.71 C ATOM 2152 CD1 LEU A 848 -18.904 19.795 -2.627 1.00 44.34 C ATOM 2153 CD2 LEU A 848 -19.422 18.389 -4.620 1.00 49.71 C ATOM 2154 H LEU A 848 -15.166 17.735 -4.130 1.00 0.00 H ATOM 2155 N THR A 849 -15.679 20.399 -7.236 1.00 46.51 N ATOM 2156 CA THR A 849 -14.870 21.503 -7.749 1.00 46.63 C ATOM 2157 C THR A 849 -15.089 22.716 -6.847 1.00 45.53 C ATOM 2158 O THR A 849 -15.973 22.711 -5.973 1.00 43.18 O ATOM 2159 CB THR A 849 -15.211 21.871 -9.212 1.00 47.73 C ATOM 2160 OG1 THR A 849 -16.542 22.396 -9.282 1.00 46.78 O ATOM 2161 CG2 THR A 849 -15.091 20.644 -10.128 1.00 49.16 C ATOM 2162 HG1 THR A 849 -17.182 21.714 -8.957 1.00 0.00 H ATOM 2163 H THR A 849 -16.493 20.059 -7.787 1.00 0.00 H ATOM 2164 N ASP A 850 -14.273 23.744 -7.049 1.00 45.68 N ATOM 2165 CA ASP A 850 -14.360 24.946 -6.235 1.00 46.39 C ATOM 2166 C ASP A 850 -15.737 25.583 -6.340 1.00 47.16 C ATOM 2167 O ASP A 850 -16.286 26.040 -5.340 1.00 44.63 O ATOM 2168 CB ASP A 850 -13.258 25.957 -6.614 1.00 48.26 C ATOM 2169 CG ASP A 850 -11.870 25.542 -6.079 1.00 48.61 C ATOM 2170 OD1 ASP A 850 -11.766 24.938 -4.988 1.00 47.75 O ATOM 2171 OD2 ASP A 850 -10.871 25.815 -6.753 1.00 51.09 O ATOM 2172 H ASP A 850 -13.559 23.689 -7.803 1.00 0.00 H ATOM 2173 N GLU A 851 -16.295 25.593 -7.546 1.00 49.30 N ATOM 2174 CA GLU A 851 -17.603 26.196 -7.770 1.00 52.18 C ATOM 2175 C GLU A 851 -18.674 25.363 -7.081 1.00 48.78 C ATOM 2176 O GLU A 851 -19.629 25.898 -6.536 1.00 45.50 O ATOM 2177 CB GLU A 851 -17.930 26.301 -9.267 1.00 55.72 C ATOM 2178 CG GLU A 851 -16.906 27.049 -10.107 1.00 61.79 C ATOM 2179 CD GLU A 851 -16.693 28.484 -9.649 1.00 68.18 C ATOM 2180 OE1 GLU A 851 -17.586 29.040 -8.964 1.00 69.22 O ATOM 2181 OE2 GLU A 851 -15.621 29.064 -9.978 1.00 73.47 O ATOM 2182 H GLU A 851 -15.789 25.162 -8.346 1.00 0.00 H ATOM 2183 N GLN A 852 -18.508 24.048 -7.134 1.00 47.88 N ATOM 2184 CA GLN A 852 -19.441 23.149 -6.483 1.00 48.45 C ATOM 2185 C GLN A 852 -19.361 23.209 -4.955 1.00 46.76 C ATOM 2186 O GLN A 852 -20.356 22.916 -4.299 1.00 43.31 O ATOM 2187 CB GLN A 852 -19.217 21.724 -6.944 1.00 48.65 C ATOM 2188 CG GLN A 852 -19.500 21.517 -8.416 1.00 49.63 C ATOM 2189 CD GLN A 852 -19.263 20.085 -8.822 1.00 50.32 C ATOM 2190 OE1 GLN A 852 -18.252 19.496 -8.488 1.00 47.81 O ATOM 2191 NE2 GLN A 852 -20.221 19.506 -9.526 1.00 55.48 N ATOM 2192 HE22 GLN A 852 -21.070 20.045 -9.791 1.00 0.00 H ATOM 2193 HE21 GLN A 852 -20.126 18.511 -9.815 1.00 0.00 H ATOM 2194 H GLN A 852 -17.695 23.655 -7.651 1.00 0.00 H ATOM 2195 N VAL A 853 -18.194 23.570 -4.409 1.00 44.71 N ATOM 2196 CA VAL A 853 -18.046 23.779 -2.961 1.00 43.13 C ATOM 2197 C VAL A 853 -18.924 24.958 -2.566 1.00 44.41 C ATOM 2198 O VAL A 853 -19.626 24.894 -1.570 1.00 44.39 O ATOM 2199 CB VAL A 853 -16.579 24.073 -2.537 1.00 43.69 C ATOM 2200 CG1 VAL A 853 -16.497 24.558 -1.083 1.00 42.68 C ATOM 2201 CG2 VAL A 853 -15.709 22.833 -2.710 1.00 42.53 C ATOM 2202 H VAL A 853 -17.368 23.707 -5.026 1.00 0.00 H ATOM 2203 N ILE A 854 -18.908 26.013 -3.380 1.00 45.87 N ATOM 2204 CA ILE A 854 -19.777 27.181 -3.183 1.00 47.01 C ATOM 2205 C ILE A 854 -21.253 26.825 -3.283 1.00 47.36 C ATOM 2206 O ILE A 854 -22.071 27.274 -2.478 1.00 46.76 O ATOM 2207 CB ILE A 854 -19.460 28.291 -4.204 1.00 49.49 C ATOM 2208 CG1 ILE A 854 -18.081 28.894 -3.898 1.00 51.20 C ATOM 2209 CG2 ILE A 854 -20.537 29.365 -4.185 1.00 50.98 C ATOM 2210 CD1 ILE A 854 -17.554 29.840 -4.960 1.00 54.28 C ATOM 2211 H ILE A 854 -18.253 26.009 -4.188 1.00 0.00 H ATOM 2212 N GLU A 855 -21.598 26.038 -4.295 1.00 47.51 N ATOM 2213 CA GLU A 855 -22.969 25.538 -4.435 1.00 47.79 C ATOM 2214 C GLU A 855 -23.414 24.684 -3.239 1.00 44.16 C ATOM 2215 O GLU A 855 -24.527 24.800 -2.767 1.00 44.09 O ATOM 2216 CB GLU A 855 -23.107 24.764 -5.737 1.00 49.78 C ATOM 2217 CG GLU A 855 -23.184 25.672 -6.956 1.00 51.59 C ATOM 2218 CD GLU A 855 -22.826 24.981 -8.249 1.00 54.24 C ATOM 2219 OE1 GLU A 855 -22.181 23.909 -8.232 1.00 53.12 O ATOM 2220 OE2 GLU A 855 -23.185 25.526 -9.315 1.00 59.76 O ATOM 2221 H GLU A 855 -20.883 25.771 -5.001 1.00 0.00 H ATOM 2222 N ASN A 856 -22.510 23.859 -2.744 1.00 42.55 N ATOM 2223 CA ASN A 856 -22.747 23.067 -1.548 1.00 42.65 C ATOM 2224 C ASN A 856 -23.085 23.900 -0.299 1.00 44.71 C ATOM 2225 O ASN A 856 -23.936 23.497 0.512 1.00 44.41 O ATOM 2226 CB ASN A 856 -21.557 22.165 -1.267 1.00 39.39 C ATOM 2227 CG ASN A 856 -21.896 21.050 -0.286 1.00 41.17 C ATOM 2228 OD1 ASN A 856 -22.993 20.471 -0.334 1.00 41.71 O ATOM 2229 ND2 ASN A 856 -20.959 20.742 0.612 1.00 37.24 N ATOM 2230 HD22 ASN A 856 -20.054 21.254 0.615 1.00 0.00 H ATOM 2231 HD21 ASN A 856 -21.134 19.990 1.309 1.00 0.00 H ATOM 2232 H ASN A 856 -21.594 23.772 -3.228 1.00 0.00 H ATOM 2233 N ALA A 857 -22.419 25.049 -0.155 1.00 46.40 N ATOM 2234 CA ALA A 857 -22.701 26.004 0.923 1.00 48.16 C ATOM 2235 C ALA A 857 -24.144 26.470 0.833 1.00 51.07 C ATOM 2236 O ALA A 857 -24.817 26.665 1.853 1.00 49.36 O ATOM 2237 CB ALA A 857 -21.768 27.205 0.830 1.00 48.60 C ATOM 2238 H ALA A 857 -21.668 25.277 -0.837 1.00 0.00 H ATOM 2239 N GLY A 858 -24.605 26.654 -0.402 1.00 53.23 N ATOM 2240 CA GLY A 858 -25.995 26.989 -0.672 1.00 55.48 C ATOM 2241 C GLY A 858 -26.982 25.935 -0.203 1.00 55.75 C ATOM 2242 O GLY A 858 -28.097 26.257 0.231 1.00 56.77 O ATOM 2243 H GLY A 858 -23.948 26.555 -1.202 1.00 0.00 H ATOM 2244 N GLU A 859 -26.577 24.673 -0.293 1.00 55.52 N ATOM 2245 CA GLU A 859 -27.402 23.565 0.200 1.00 56.71 C ATOM 2246 C GLU A 859 -27.380 23.430 1.725 1.00 55.58 C ATOM 2247 O GLU A 859 -28.337 22.919 2.304 1.00 56.35 O ATOM 2248 CB GLU A 859 -27.008 22.249 -0.476 1.00 55.90 C ATOM 2249 CG GLU A 859 -27.330 22.195 -1.968 1.00 57.68 C ATOM 2250 CD GLU A 859 -28.804 22.428 -2.281 1.00 61.71 C ATOM 2251 OE1 GLU A 859 -29.662 21.958 -1.506 1.00 62.94 O ATOM 2252 OE2 GLU A 859 -29.113 23.086 -3.300 1.00 63.52 O ATOM 2253 H GLU A 859 -25.653 24.466 -0.723 1.00 0.00 H ATOM 2254 N PHE A 860 -26.311 23.889 2.382 1.00 55.83 N ATOM 2255 CA PHE A 860 -26.326 24.016 3.858 1.00 54.12 C ATOM 2256 C PHE A 860 -27.337 25.069 4.277 1.00 58.18 C ATOM 2257 O PHE A 860 -28.157 24.818 5.158 1.00 60.47 O ATOM 2258 CB PHE A 860 -24.951 24.341 4.441 1.00 51.47 C ATOM 2259 CG PHE A 860 -24.097 23.133 4.644 1.00 48.69 C ATOM 2260 CD1 PHE A 860 -24.234 22.363 5.783 1.00 49.50 C ATOM 2261 CD2 PHE A 860 -23.193 22.736 3.679 1.00 47.61 C ATOM 2262 CE1 PHE A 860 -23.457 21.236 5.971 1.00 48.29 C ATOM 2263 CE2 PHE A 860 -22.425 21.606 3.847 1.00 46.72 C ATOM 2264 CZ PHE A 860 -22.544 20.856 5.004 1.00 48.40 C ATOM 2265 H PHE A 860 -25.459 24.160 1.851 1.00 0.00 H ATOM 2266 N PHE A 861 -27.309 26.227 3.621 1.00 59.05 N ATOM 2267 CA PHE A 861 -28.311 27.242 3.875 1.00 64.98 C ATOM 2268 C PHE A 861 -29.720 26.688 3.648 1.00 69.30 C ATOM 2269 O PHE A 861 -30.682 27.086 4.317 1.00 72.17 O ATOM 2270 CB PHE A 861 -28.120 28.463 2.978 1.00 66.95 C ATOM 2271 CG PHE A 861 -29.354 29.294 2.871 1.00 73.50 C ATOM 2272 CD1 PHE A 861 -30.337 28.973 1.945 1.00 77.31 C ATOM 2273 CD2 PHE A 861 -29.577 30.347 3.746 1.00 75.87 C ATOM 2274 CE1 PHE A 861 -31.505 29.708 1.870 1.00 82.30 C ATOM 2275 CE2 PHE A 861 -30.737 31.092 3.671 1.00 80.08 C ATOM 2276 CZ PHE A 861 -31.707 30.770 2.735 1.00 83.43 C ATOM 2277 H PHE A 861 -26.561 26.405 2.920 1.00 0.00 H ATOM 2278 N ARG A 862 -29.834 25.802 2.666 1.00 71.09 N ATOM 2279 CA ARG A 862 -31.109 25.191 2.299 1.00 73.67 C ATOM 2280 C ARG A 862 -31.542 24.214 3.387 1.00 72.88 C ATOM 2281 O ARG A 862 -32.706 24.172 3.762 1.00 72.45 O ATOM 2282 CB ARG A 862 -30.941 24.473 0.964 1.00 74.51 C ATOM 2283 CG ARG A 862 -32.174 24.395 0.095 1.00 79.44 C ATOM 2284 CD ARG A 862 -31.788 24.460 -1.378 1.00 79.70 C ATOM 2285 NE ARG A 862 -32.553 23.520 -2.179 1.00 81.03 N ATOM 2286 HE ARG A 862 -33.263 22.909 -1.727 1.00 0.00 H ATOM 2287 H ARG A 862 -28.981 25.532 2.136 1.00 0.00 H ATOM 2288 N ASP A 863 -30.592 23.420 3.881 1.00 73.37 N ATOM 2289 CA ASP A 863 -30.819 22.569 5.049 1.00 75.33 C ATOM 2290 C ASP A 863 -32.027 21.632 4.804 1.00 80.41 C ATOM 2291 O ASP A 863 -32.773 21.286 5.729 1.00 81.94 O ATOM 2292 CB ASP A 863 -31.021 23.472 6.276 1.00 76.61 C ATOM 2293 CG ASP A 863 -30.952 22.728 7.591 1.00 77.25 C ATOM 2294 OD1 ASP A 863 -29.966 22.005 7.850 1.00 73.76 O ATOM 2295 OD2 ASP A 863 -31.897 22.901 8.388 1.00 82.64 O ATOM 2296 H ASP A 863 -29.659 23.405 3.421 1.00 0.00 H ATOM 2297 N GLN A 864 -32.210 21.244 3.539 1.00 78.88 N ATOM 2298 CA GLN A 864 -33.180 20.224 3.150 1.00 78.05 C ATOM 2299 C GLN A 864 -32.472 18.864 3.045 1.00 73.72 C ATOM 2300 O GLN A 864 -32.984 17.952 2.414 1.00 76.66 O ATOM 2301 CB GLN A 864 -33.845 20.587 1.810 1.00 80.59 C ATOM 2302 CG GLN A 864 -34.817 21.764 1.860 1.00 84.06 C ATOM 2303 H GLN A 864 -31.634 21.689 2.796 1.00 0.00 H ATOM 2304 N GLY A 865 -31.291 18.737 3.655 1.00 67.05 N ATOM 2305 CA GLY A 865 -30.522 17.488 3.622 1.00 63.25 C ATOM 2306 C GLY A 865 -29.882 17.103 2.283 1.00 62.40 C ATOM 2307 O GLY A 865 -29.397 15.987 2.125 1.00 58.71 O ATOM 2308 H GLY A 865 -30.903 19.552 4.172 1.00 0.00 H ATOM 2309 N ARG A 866 -29.859 18.026 1.323 1.00 62.95 N ATOM 2310 CA ARG A 866 -29.279 17.764 0.003 1.00 60.71 C ATOM 2311 C ARG A 866 -27.744 17.905 0.021 1.00 56.47 C ATOM 2312 O ARG A 866 -27.063 17.376 -0.850 1.00 53.03 O ATOM 2313 CB ARG A 866 -29.843 18.756 -1.011 1.00 64.52 C ATOM 2314 CG ARG A 866 -31.346 18.680 -1.262 1.00 70.60 C ATOM 2315 CD ARG A 866 -31.821 19.934 -1.982 1.00 74.08 C ATOM 2316 NE ARG A 866 -32.854 19.651 -2.969 1.00 81.95 N ATOM 2317 CZ ARG A 866 -34.068 20.206 -3.023 1.00 87.45 C ATOM 2318 NH1 ARG A 866 -34.467 21.119 -2.138 1.00 89.24 N ATOM 2319 NH2 ARG A 866 -34.900 19.834 -3.990 1.00 92.72 N ATOM 2320 HE ARG A 866 -32.625 18.950 -3.702 1.00 0.00 H ATOM 2321 HH12 ARG A 866 -35.419 21.531 -2.209 1.00 0.00 H ATOM 2322 HH11 ARG A 866 -33.826 21.420 -1.376 1.00 0.00 H ATOM 2323 HH22 ARG A 866 -35.849 20.254 -4.049 1.00 0.00 H ATOM 2324 HH21 ARG A 866 -34.602 19.123 -4.688 1.00 0.00 H ATOM 2325 H ARG A 866 -30.266 18.963 1.517 1.00 0.00 H ATOM 2326 N GLN A 867 -27.221 18.633 1.005 1.00 51.98 N ATOM 2327 CA GLN A 867 -25.798 18.983 1.062 1.00 51.06 C ATOM 2328 C GLN A 867 -24.849 17.782 1.225 1.00 47.84 C ATOM 2329 O GLN A 867 -25.244 16.722 1.701 1.00 48.06 O ATOM 2330 CB GLN A 867 -25.546 19.998 2.186 1.00 50.97 C ATOM 2331 CG GLN A 867 -25.784 19.474 3.598 1.00 52.13 C ATOM 2332 CD GLN A 867 -27.185 19.749 4.113 1.00 56.22 C ATOM 2333 OE1 GLN A 867 -28.165 19.642 3.388 1.00 57.41 O ATOM 2334 NE2 GLN A 867 -27.279 20.110 5.380 1.00 60.09 N ATOM 2335 HE22 GLN A 867 -26.421 20.189 5.963 1.00 0.00 H ATOM 2336 HE21 GLN A 867 -28.211 20.315 5.795 1.00 0.00 H ATOM 2337 H GLN A 867 -27.847 18.967 1.765 1.00 0.00 H ATOM 2338 N VAL A 868 -23.605 17.970 0.799 1.00 47.46 N ATOM 2339 CA VAL A 868 -22.508 17.002 1.009 1.00 46.50 C ATOM 2340 C VAL A 868 -21.786 17.327 2.318 1.00 42.10 C ATOM 2341 O VAL A 868 -21.348 18.453 2.524 1.00 40.03 O ATOM 2342 CB VAL A 868 -21.432 17.084 -0.112 1.00 46.79 C ATOM 2343 CG1 VAL A 868 -20.267 16.138 0.173 1.00 46.98 C ATOM 2344 CG2 VAL A 868 -22.027 16.760 -1.463 1.00 48.90 C ATOM 2345 H VAL A 868 -23.390 18.850 0.288 1.00 0.00 H ATOM 2346 N TYR A 869 -21.657 16.321 3.173 1.00 41.16 N ATOM 2347 CA TYR A 869 -20.906 16.403 4.415 1.00 39.69 C ATOM 2348 C TYR A 869 -19.642 15.631 4.158 1.00 37.86 C ATOM 2349 O TYR A 869 -19.671 14.675 3.425 1.00 37.20 O ATOM 2350 CB TYR A 869 -21.680 15.735 5.564 1.00 41.80 C ATOM 2351 CG TYR A 869 -22.817 16.568 6.120 1.00 44.88 C ATOM 2352 CD1 TYR A 869 -22.582 17.531 7.085 1.00 47.75 C ATOM 2353 CD2 TYR A 869 -24.120 16.388 5.688 1.00 50.52 C ATOM 2354 CE1 TYR A 869 -23.606 18.297 7.609 1.00 50.21 C ATOM 2355 CE2 TYR A 869 -25.162 17.155 6.201 1.00 53.02 C ATOM 2356 CZ TYR A 869 -24.893 18.112 7.160 1.00 54.55 C ATOM 2357 OH TYR A 869 -25.903 18.899 7.679 1.00 57.68 O ATOM 2358 HH TYR A 869 -25.523 19.522 8.348 1.00 0.00 H ATOM 2359 H TYR A 869 -22.121 15.420 2.941 1.00 0.00 H ATOM 2360 N LEU A 870 -18.522 16.050 4.745 1.00 36.41 N ATOM 2361 CA LEU A 870 -17.319 15.219 4.749 1.00 33.90 C ATOM 2362 C LEU A 870 -17.682 13.870 5.401 1.00 36.02 C ATOM 2363 O LEU A 870 -18.407 13.806 6.410 1.00 34.99 O ATOM 2364 CB LEU A 870 -16.186 15.905 5.513 1.00 32.66 C ATOM 2365 CG LEU A 870 -15.726 17.221 4.884 1.00 32.89 C ATOM 2366 CD1 LEU A 870 -14.796 18.022 5.786 1.00 32.01 C ATOM 2367 CD2 LEU A 870 -15.075 16.937 3.542 1.00 34.50 C ATOM 2368 H LEU A 870 -18.503 16.982 5.207 1.00 0.00 H ATOM 2369 N SER A 871 -17.233 12.807 4.757 1.00 36.72 N ATOM 2370 CA SER A 871 -17.433 11.446 5.192 1.00 39.12 C ATOM 2371 C SER A 871 -16.606 11.125 6.433 1.00 37.65 C ATOM 2372 O SER A 871 -15.552 11.710 6.651 1.00 34.50 O ATOM 2373 CB SER A 871 -17.000 10.492 4.075 1.00 41.03 C ATOM 2374 OG SER A 871 -17.946 10.517 3.018 1.00 46.01 O ATOM 2375 HG SER A 871 -17.656 9.897 2.302 1.00 0.00 H ATOM 2376 H SER A 871 -16.700 12.962 3.878 1.00 0.00 H ATOM 2377 N ARG A 872 -17.083 10.155 7.200 1.00 37.60 N ATOM 2378 CA ARG A 872 -16.374 9.665 8.380 1.00 38.27 C ATOM 2379 C ARG A 872 -15.037 9.027 7.984 1.00 37.43 C ATOM 2380 O ARG A 872 -15.011 8.045 7.280 1.00 37.41 O ATOM 2381 CB ARG A 872 -17.225 8.641 9.149 1.00 39.05 C ATOM 2382 CG ARG A 872 -16.596 8.262 10.487 1.00 39.95 C ATOM 2383 CD ARG A 872 -17.548 7.446 11.319 1.00 40.40 C ATOM 2384 NE ARG A 872 -17.788 6.170 10.688 1.00 43.79 N ATOM 2385 CZ ARG A 872 -16.909 5.171 10.625 1.00 45.41 C ATOM 2386 NH1 ARG A 872 -15.697 5.260 11.171 1.00 44.28 N ATOM 2387 NH2 ARG A 872 -17.265 4.051 10.024 1.00 50.39 N ATOM 2388 HE ARG A 872 -18.719 6.019 10.249 1.00 0.00 H ATOM 2389 HH12 ARG A 872 -15.036 4.460 11.103 1.00 0.00 H ATOM 2390 HH11 ARG A 872 -15.412 6.129 11.666 1.00 0.00 H ATOM 2391 HH22 ARG A 872 -16.595 3.258 9.963 1.00 0.00 H ATOM 2392 HH21 ARG A 872 -18.215 3.962 9.611 1.00 0.00 H ATOM 2393 H ARG A 872 -17.997 9.726 6.952 1.00 0.00 H ATOM 2394 N PRO A 873 -13.913 9.600 8.436 1.00 37.96 N ATOM 2395 CA PRO A 873 -12.660 8.887 8.205 1.00 39.22 C ATOM 2396 C PRO A 873 -12.676 7.481 8.823 1.00 42.46 C ATOM 2397 O PRO A 873 -13.282 7.271 9.881 1.00 42.87 O ATOM 2398 CB PRO A 873 -11.627 9.778 8.910 1.00 38.91 C ATOM 2399 CG PRO A 873 -12.257 11.146 8.933 1.00 37.24 C ATOM 2400 CD PRO A 873 -13.704 10.844 9.199 1.00 36.42 C ATOM 2401 N PRO A 874 -12.023 6.514 8.172 1.00 45.73 N ATOM 2402 CA PRO A 874 -11.853 5.174 8.750 1.00 47.92 C ATOM 2403 C PRO A 874 -11.462 5.141 10.233 1.00 48.68 C ATOM 2404 O PRO A 874 -12.017 4.357 11.003 1.00 50.32 O ATOM 2405 CB PRO A 874 -10.727 4.581 7.898 1.00 49.98 C ATOM 2406 CG PRO A 874 -10.850 5.253 6.573 1.00 47.61 C ATOM 2407 CD PRO A 874 -11.504 6.588 6.795 1.00 45.84 C ATOM 2408 N ALA A 875 -10.533 5.995 10.643 1.00 48.33 N ATOM 2409 CA ALA A 875 -10.066 6.004 12.040 1.00 49.39 C ATOM 2410 C ALA A 875 -11.061 6.604 13.034 1.00 47.32 C ATOM 2411 O ALA A 875 -10.949 6.367 14.226 1.00 50.24 O ATOM 2412 CB ALA A 875 -8.746 6.758 12.138 1.00 50.58 C ATOM 2413 H ALA A 875 -10.127 6.671 9.965 1.00 0.00 H ATOM 2414 N CYS A 876 -12.014 7.389 12.548 1.00 43.89 N ATOM 2415 CA CYS A 876 -12.902 8.173 13.410 1.00 41.30 C ATOM 2416 C CYS A 876 -14.082 7.340 13.946 1.00 42.17 C ATOM 2417 O CYS A 876 -14.855 6.800 13.155 1.00 44.15 O ATOM 2418 CB CYS A 876 -13.445 9.324 12.590 1.00 38.02 C ATOM 2419 SG CYS A 876 -14.363 10.527 13.523 1.00 39.99 S ATOM 2420 H CYS A 876 -12.135 7.450 11.517 1.00 0.00 H ATOM 2421 N PRO A 877 -14.228 7.218 15.279 1.00 40.63 N ATOM 2422 CA PRO A 877 -15.458 6.575 15.734 1.00 41.58 C ATOM 2423 C PRO A 877 -16.675 7.499 15.603 1.00 40.18 C ATOM 2424 O PRO A 877 -16.544 8.710 15.393 1.00 36.95 O ATOM 2425 CB PRO A 877 -15.172 6.227 17.205 1.00 43.32 C ATOM 2426 CG PRO A 877 -14.020 7.080 17.612 1.00 42.26 C ATOM 2427 CD PRO A 877 -13.403 7.708 16.396 1.00 40.35 C ATOM 2428 N GLN A 878 -17.849 6.902 15.715 1.00 42.03 N ATOM 2429 CA GLN A 878 -19.107 7.568 15.413 1.00 44.04 C ATOM 2430 C GLN A 878 -19.328 8.821 16.256 1.00 41.99 C ATOM 2431 O GLN A 878 -19.815 9.818 15.746 1.00 41.27 O ATOM 2432 CB GLN A 878 -20.279 6.590 15.616 1.00 48.16 C ATOM 2433 CG GLN A 878 -21.629 7.113 15.133 1.00 49.52 C ATOM 2434 CD GLN A 878 -21.588 7.509 13.681 1.00 50.44 C ATOM 2435 OE1 GLN A 878 -20.826 6.942 12.909 1.00 53.07 O ATOM 2436 NE2 GLN A 878 -22.399 8.488 13.296 1.00 50.85 N ATOM 2437 HE22 GLN A 878 -23.030 8.942 13.986 1.00 0.00 H ATOM 2438 HE21 GLN A 878 -22.403 8.800 12.304 1.00 0.00 H ATOM 2439 H GLN A 878 -17.875 5.912 16.033 1.00 0.00 H ATOM 2440 N GLY A 879 -18.984 8.760 17.543 1.00 41.66 N ATOM 2441 CA GLY A 879 -19.194 9.893 18.452 1.00 40.45 C ATOM 2442 C GLY A 879 -18.327 11.084 18.099 1.00 38.85 C ATOM 2443 O GLY A 879 -18.772 12.212 18.145 1.00 39.90 O ATOM 2444 H GLY A 879 -18.556 7.887 17.912 1.00 0.00 H ATOM 2445 N LEU A 880 -17.090 10.833 17.704 1.00 38.00 N ATOM 2446 CA LEU A 880 -16.229 11.900 17.246 1.00 38.36 C ATOM 2447 C LEU A 880 -16.718 12.494 15.911 1.00 38.38 C ATOM 2448 O LEU A 880 -16.726 13.707 15.735 1.00 37.93 O ATOM 2449 CB LEU A 880 -14.796 11.402 17.117 1.00 40.50 C ATOM 2450 CG LEU A 880 -13.740 12.479 16.837 1.00 39.66 C ATOM 2451 CD1 LEU A 880 -13.677 13.508 17.941 1.00 38.99 C ATOM 2452 CD2 LEU A 880 -12.389 11.829 16.678 1.00 40.53 C ATOM 2453 H LEU A 880 -16.733 9.857 17.723 1.00 0.00 H ATOM 2454 N TYR A 881 -17.145 11.634 14.990 1.00 37.08 N ATOM 2455 CA TYR A 881 -17.735 12.084 13.759 1.00 35.25 C ATOM 2456 C TYR A 881 -18.969 12.979 14.009 1.00 36.52 C ATOM 2457 O TYR A 881 -19.169 13.977 13.323 1.00 33.96 O ATOM 2458 CB TYR A 881 -18.132 10.887 12.882 1.00 36.14 C ATOM 2459 CG TYR A 881 -18.635 11.316 11.520 1.00 36.60 C ATOM 2460 CD1 TYR A 881 -17.858 12.141 10.706 1.00 34.45 C ATOM 2461 CD2 TYR A 881 -19.893 10.922 11.060 1.00 38.12 C ATOM 2462 CE1 TYR A 881 -18.309 12.536 9.459 1.00 35.90 C ATOM 2463 CE2 TYR A 881 -20.363 11.317 9.827 1.00 38.29 C ATOM 2464 CZ TYR A 881 -19.560 12.111 9.017 1.00 37.64 C ATOM 2465 OH TYR A 881 -20.016 12.511 7.785 1.00 36.17 O ATOM 2466 HH TYR A 881 -19.325 13.066 7.343 1.00 0.00 H ATOM 2467 H TYR A 881 -17.050 10.613 15.165 1.00 0.00 H ATOM 2468 N GLU A 882 -19.813 12.597 14.959 1.00 36.73 N ATOM 2469 CA GLU A 882 -20.998 13.386 15.235 1.00 39.58 C ATOM 2470 C GLU A 882 -20.652 14.725 15.871 1.00 39.33 C ATOM 2471 O GLU A 882 -21.336 15.709 15.633 1.00 40.23 O ATOM 2472 CB GLU A 882 -22.025 12.580 16.042 1.00 41.80 C ATOM 2473 CG GLU A 882 -22.648 11.520 15.143 1.00 44.28 C ATOM 2474 CD GLU A 882 -23.729 10.701 15.782 1.00 48.35 C ATOM 2475 OE1 GLU A 882 -24.156 11.034 16.901 1.00 52.74 O ATOM 2476 OE2 GLU A 882 -24.148 9.713 15.148 1.00 50.45 O ATOM 2477 H GLU A 882 -19.625 11.732 15.505 1.00 0.00 H ATOM 2478 N LEU A 883 -19.570 14.773 16.635 1.00 39.00 N ATOM 2479 CA LEU A 883 -19.035 16.058 17.073 1.00 38.77 C ATOM 2480 C LEU A 883 -18.669 16.954 15.883 1.00 36.49 C ATOM 2481 O LEU A 883 -18.976 18.159 15.879 1.00 34.46 O ATOM 2482 CB LEU A 883 -17.800 15.845 17.936 1.00 40.74 C ATOM 2483 CG LEU A 883 -17.251 17.124 18.578 1.00 41.69 C ATOM 2484 CD1 LEU A 883 -18.147 17.609 19.699 1.00 43.10 C ATOM 2485 CD2 LEU A 883 -15.829 16.896 19.065 1.00 42.86 C ATOM 2486 H LEU A 883 -19.100 13.891 16.924 1.00 0.00 H ATOM 2487 N MET A 884 -17.991 16.373 14.896 1.00 34.65 N ATOM 2488 CA MET A 884 -17.645 17.108 13.688 1.00 35.25 C ATOM 2489 C MET A 884 -18.915 17.631 13.023 1.00 34.18 C ATOM 2490 O MET A 884 -19.008 18.795 12.678 1.00 31.31 O ATOM 2491 CB MET A 884 -16.897 16.219 12.718 1.00 37.27 C ATOM 2492 CG MET A 884 -15.503 15.815 13.173 1.00 42.13 C ATOM 2493 SD MET A 884 -14.753 14.811 11.876 1.00 46.89 S ATOM 2494 CE MET A 884 -14.052 13.522 12.858 1.00 51.10 C ATOM 2495 H MET A 884 -17.704 15.378 14.989 1.00 0.00 H ATOM 2496 N LEU A 885 -19.893 16.749 12.847 1.00 34.81 N ATOM 2497 CA LEU A 885 -21.178 17.134 12.287 1.00 36.30 C ATOM 2498 C LEU A 885 -21.778 18.346 13.003 1.00 38.53 C ATOM 2499 O LEU A 885 -22.334 19.236 12.338 1.00 37.51 O ATOM 2500 CB LEU A 885 -22.163 15.952 12.326 1.00 37.98 C ATOM 2501 CG LEU A 885 -21.947 14.813 11.304 1.00 37.34 C ATOM 2502 CD1 LEU A 885 -23.028 13.731 11.424 1.00 38.83 C ATOM 2503 CD2 LEU A 885 -21.916 15.349 9.889 1.00 36.66 C ATOM 2504 H LEU A 885 -19.735 15.757 13.117 1.00 0.00 H ATOM 2505 N ARG A 886 -21.663 18.412 14.333 1.00 38.66 N ATOM 2506 CA ARG A 886 -22.226 19.562 15.064 1.00 41.64 C ATOM 2507 C ARG A 886 -21.416 20.830 14.784 1.00 39.30 C ATOM 2508 O ARG A 886 -21.973 21.926 14.745 1.00 40.60 O ATOM 2509 CB ARG A 886 -22.341 19.298 16.574 1.00 45.96 C ATOM 2510 CG ARG A 886 -23.400 18.267 16.928 1.00 51.11 C ATOM 2511 CD ARG A 886 -23.614 18.137 18.432 1.00 56.87 C ATOM 2512 NE ARG A 886 -22.448 17.575 19.119 1.00 59.77 N ATOM 2513 CZ ARG A 886 -22.218 16.271 19.323 1.00 61.02 C ATOM 2514 NH1 ARG A 886 -23.067 15.336 18.898 1.00 62.03 N ATOM 2515 NH2 ARG A 886 -21.116 15.891 19.959 1.00 59.25 N ATOM 2516 HE ARG A 886 -21.739 18.245 19.479 1.00 0.00 H ATOM 2517 HH12 ARG A 886 -22.863 14.331 19.070 1.00 0.00 H ATOM 2518 HH11 ARG A 886 -23.934 15.611 18.394 1.00 0.00 H ATOM 2519 HH22 ARG A 886 -20.931 14.880 20.121 1.00 0.00 H ATOM 2520 HH21 ARG A 886 -20.438 16.604 20.295 1.00 0.00 H ATOM 2521 H ARG A 886 -21.177 17.653 14.852 1.00 0.00 H ATOM 2522 N CYS A 887 -20.115 20.685 14.538 1.00 35.80 N ATOM 2523 CA CYS A 887 -19.316 21.799 14.067 1.00 34.60 C ATOM 2524 C CYS A 887 -19.858 22.352 12.756 1.00 35.11 C ATOM 2525 O CYS A 887 -19.619 23.525 12.424 1.00 35.07 O ATOM 2526 CB CYS A 887 -17.858 21.408 13.897 1.00 34.04 C ATOM 2527 SG CYS A 887 -17.040 20.973 15.451 1.00 34.09 S ATOM 2528 H CYS A 887 -19.666 19.759 14.686 1.00 0.00 H ATOM 2529 N TRP A 888 -20.583 21.514 12.010 1.00 33.82 N ATOM 2530 CA TRP A 888 -21.152 21.940 10.736 1.00 34.77 C ATOM 2531 C TRP A 888 -22.655 22.215 10.788 1.00 36.54 C ATOM 2532 O TRP A 888 -23.316 22.265 9.736 1.00 35.97 O ATOM 2533 CB TRP A 888 -20.796 20.955 9.617 1.00 33.74 C ATOM 2534 CG TRP A 888 -19.314 20.685 9.555 1.00 33.07 C ATOM 2535 CD1 TRP A 888 -18.295 21.605 9.697 1.00 32.23 C ATOM 2536 CD2 TRP A 888 -18.677 19.422 9.327 1.00 33.02 C ATOM 2537 NE1 TRP A 888 -17.077 20.979 9.590 1.00 30.55 N ATOM 2538 CE2 TRP A 888 -17.279 19.639 9.390 1.00 31.31 C ATOM 2539 CE3 TRP A 888 -19.149 18.119 9.129 1.00 35.38 C ATOM 2540 CZ2 TRP A 888 -16.352 18.603 9.227 1.00 32.22 C ATOM 2541 CZ3 TRP A 888 -18.215 17.078 8.967 1.00 34.58 C ATOM 2542 CH2 TRP A 888 -16.840 17.334 9.013 1.00 32.29 C ATOM 2543 HE1 TRP A 888 -16.150 21.447 9.651 1.00 0.00 H ATOM 2544 H TRP A 888 -20.744 20.542 12.343 1.00 0.00 H ATOM 2545 N SER A 889 -23.177 22.414 11.997 1.00 37.31 N ATOM 2546 CA SER A 889 -24.573 22.745 12.166 1.00 41.95 C ATOM 2547 C SER A 889 -24.830 24.038 11.393 1.00 43.24 C ATOM 2548 O SER A 889 -23.983 24.946 11.342 1.00 41.89 O ATOM 2549 CB SER A 889 -24.939 22.982 13.641 1.00 44.50 C ATOM 2550 OG SER A 889 -24.511 21.936 14.488 1.00 44.97 O ATOM 2551 HG SER A 889 -23.526 21.849 14.431 1.00 0.00 H ATOM 2552 H SER A 889 -22.568 22.329 12.836 1.00 0.00 H ATOM 2553 N ARG A 890 -25.996 24.104 10.795 1.00 44.39 N ATOM 2554 CA ARG A 890 -26.380 25.256 10.019 1.00 48.77 C ATOM 2555 C ARG A 890 -26.415 26.526 10.888 1.00 49.78 C ATOM 2556 O ARG A 890 -25.900 27.565 10.481 1.00 47.76 O ATOM 2557 CB ARG A 890 -27.737 25.000 9.379 1.00 50.73 C ATOM 2558 CG ARG A 890 -28.121 26.017 8.327 1.00 54.85 C ATOM 2559 CD ARG A 890 -29.619 26.208 8.347 1.00 58.67 C ATOM 2560 NE ARG A 890 -30.049 27.187 7.374 1.00 61.68 N ATOM 2561 CZ ARG A 890 -30.551 28.391 7.647 1.00 66.68 C ATOM 2562 NH1 ARG A 890 -30.700 28.829 8.898 1.00 67.07 N ATOM 2563 NH2 ARG A 890 -30.910 29.176 6.640 1.00 68.08 N ATOM 2564 HE ARG A 890 -29.958 26.928 6.371 1.00 0.00 H ATOM 2565 HH12 ARG A 890 -31.095 29.775 9.074 1.00 0.00 H ATOM 2566 HH11 ARG A 890 -30.421 28.225 9.697 1.00 0.00 H ATOM 2567 HH22 ARG A 890 -31.304 30.119 6.831 1.00 0.00 H ATOM 2568 HH21 ARG A 890 -30.798 28.848 5.659 1.00 0.00 H ATOM 2569 H ARG A 890 -26.658 23.307 10.883 1.00 0.00 H ATOM 2570 N GLU A 891 -27.014 26.431 12.073 1.00 52.51 N ATOM 2571 CA GLU A 891 -27.072 27.572 12.994 1.00 55.34 C ATOM 2572 C GLU A 891 -25.776 27.645 13.781 1.00 52.45 C ATOM 2573 O GLU A 891 -25.347 26.658 14.365 1.00 50.54 O ATOM 2574 CB GLU A 891 -28.229 27.451 13.983 1.00 58.69 C ATOM 2575 CG GLU A 891 -29.577 27.220 13.340 1.00 62.99 C ATOM 2576 CD GLU A 891 -29.945 28.324 12.372 1.00 66.73 C ATOM 2577 OE1 GLU A 891 -29.784 29.517 12.720 1.00 68.29 O ATOM 2578 OE2 GLU A 891 -30.395 27.994 11.259 1.00 71.85 O ATOM 2579 H GLU A 891 -27.450 25.529 12.352 1.00 0.00 H ATOM 2580 N SER A 892 -25.184 28.829 13.811 1.00 52.74 N ATOM 2581 CA SER A 892 -23.943 29.072 14.541 1.00 51.91 C ATOM 2582 C SER A 892 -24.056 28.706 16.031 1.00 51.96 C ATOM 2583 O SER A 892 -23.175 28.039 16.582 1.00 49.25 O ATOM 2584 CB SER A 892 -23.517 30.541 14.361 1.00 53.09 C ATOM 2585 OG SER A 892 -24.412 31.422 15.015 1.00 55.02 O ATOM 2586 HG SER A 892 -24.111 32.356 14.881 1.00 0.00 H ATOM 2587 H SER A 892 -25.621 29.618 13.293 1.00 0.00 H ATOM 2588 N GLU A 893 -25.165 29.083 16.658 1.00 55.32 N ATOM 2589 CA GLU A 893 -25.366 28.841 18.091 1.00 58.31 C ATOM 2590 C GLU A 893 -25.489 27.369 18.488 1.00 57.68 C ATOM 2591 O GLU A 893 -25.425 27.049 19.672 1.00 59.54 O ATOM 2592 CB GLU A 893 -26.584 29.617 18.623 1.00 62.41 C ATOM 2593 CG GLU A 893 -27.924 29.159 18.077 1.00 65.94 C ATOM 2594 CD GLU A 893 -28.470 30.071 16.987 1.00 68.64 C ATOM 2595 OE1 GLU A 893 -27.739 30.375 16.016 1.00 65.00 O ATOM 2596 OE2 GLU A 893 -29.646 30.483 17.106 1.00 74.46 O ATOM 2597 H GLU A 893 -25.912 29.564 16.117 1.00 0.00 H ATOM 2598 N GLN A 894 -25.679 26.475 17.527 1.00 54.21 N ATOM 2599 CA GLN A 894 -25.694 25.047 17.829 1.00 54.76 C ATOM 2600 C GLN A 894 -24.341 24.381 17.660 1.00 49.78 C ATOM 2601 O GLN A 894 -24.188 23.217 17.986 1.00 51.29 O ATOM 2602 CB GLN A 894 -26.746 24.338 16.982 1.00 58.72 C ATOM 2603 CG GLN A 894 -28.149 24.591 17.520 1.00 64.25 C ATOM 2604 CD GLN A 894 -29.218 24.241 16.525 1.00 69.21 C ATOM 2605 OE1 GLN A 894 -28.971 24.224 15.324 1.00 71.85 O ATOM 2606 NE2 GLN A 894 -30.421 23.968 17.014 1.00 74.35 N ATOM 2607 HE22 GLN A 894 -30.583 23.995 18.041 1.00 0.00 H ATOM 2608 HE21 GLN A 894 -31.202 23.727 16.370 1.00 0.00 H ATOM 2609 H GLN A 894 -25.819 26.795 16.547 1.00 0.00 H ATOM 2610 N ARG A 895 -23.368 25.124 17.151 1.00 45.48 N ATOM 2611 CA ARG A 895 -22.028 24.614 17.013 1.00 42.47 C ATOM 2612 C ARG A 895 -21.390 24.695 18.372 1.00 42.85 C ATOM 2613 O ARG A 895 -21.576 25.674 19.082 1.00 44.04 O ATOM 2614 CB ARG A 895 -21.223 25.431 16.005 1.00 40.21 C ATOM 2615 CG ARG A 895 -21.834 25.363 14.614 1.00 39.41 C ATOM 2616 CD ARG A 895 -21.082 26.183 13.581 1.00 37.74 C ATOM 2617 NE ARG A 895 -21.960 26.451 12.436 1.00 37.60 N ATOM 2618 CZ ARG A 895 -21.783 27.422 11.546 1.00 37.00 C ATOM 2619 NH1 ARG A 895 -20.734 28.240 11.618 1.00 36.23 N ATOM 2620 NH2 ARG A 895 -22.666 27.570 10.573 1.00 38.92 N ATOM 2621 HE ARG A 895 -22.786 25.832 12.311 1.00 0.00 H ATOM 2622 HH12 ARG A 895 -20.613 28.994 10.912 1.00 0.00 H ATOM 2623 HH11 ARG A 895 -20.036 28.125 12.380 1.00 0.00 H ATOM 2624 HH22 ARG A 895 -22.542 28.325 9.869 1.00 0.00 H ATOM 2625 HH21 ARG A 895 -23.485 26.931 10.512 1.00 0.00 H ATOM 2626 H ARG A 895 -23.577 26.096 16.845 1.00 0.00 H ATOM 2627 N PRO A 896 -20.634 23.666 18.742 1.00 40.29 N ATOM 2628 CA PRO A 896 -20.121 23.674 20.094 1.00 41.74 C ATOM 2629 C PRO A 896 -18.944 24.662 20.281 1.00 39.57 C ATOM 2630 O PRO A 896 -18.145 24.853 19.362 1.00 37.58 O ATOM 2631 CB PRO A 896 -19.718 22.206 20.320 1.00 40.50 C ATOM 2632 CG PRO A 896 -19.427 21.666 18.974 1.00 39.38 C ATOM 2633 CD PRO A 896 -20.176 22.504 17.965 1.00 40.02 C ATOM 2634 N PRO A 897 -18.858 25.296 21.464 1.00 40.04 N ATOM 2635 CA PRO A 897 -17.721 26.156 21.759 1.00 39.52 C ATOM 2636 C PRO A 897 -16.401 25.374 21.911 1.00 37.15 C ATOM 2637 O PRO A 897 -16.416 24.179 22.177 1.00 36.14 O ATOM 2638 CB PRO A 897 -18.126 26.859 23.062 1.00 42.69 C ATOM 2639 CG PRO A 897 -19.170 25.992 23.681 1.00 43.50 C ATOM 2640 CD PRO A 897 -19.804 25.188 22.597 1.00 42.47 C ATOM 2641 N PHE A 898 -15.278 26.061 21.710 1.00 35.93 N ATOM 2642 CA PHE A 898 -13.972 25.435 21.747 1.00 35.35 C ATOM 2643 C PHE A 898 -13.643 24.819 23.105 1.00 37.16 C ATOM 2644 O PHE A 898 -12.958 23.807 23.155 1.00 38.52 O ATOM 2645 CB PHE A 898 -12.878 26.421 21.326 1.00 34.50 C ATOM 2646 CG PHE A 898 -12.735 26.558 19.829 1.00 33.46 C ATOM 2647 CD1 PHE A 898 -12.277 25.507 19.078 1.00 31.28 C ATOM 2648 CD2 PHE A 898 -13.103 27.748 19.167 1.00 33.76 C ATOM 2649 CE1 PHE A 898 -12.164 25.620 17.698 1.00 30.80 C ATOM 2650 CE2 PHE A 898 -12.993 27.862 17.802 1.00 32.05 C ATOM 2651 CZ PHE A 898 -12.511 26.791 17.064 1.00 30.96 C ATOM 2652 H PHE A 898 -15.341 27.082 21.520 1.00 0.00 H ATOM 2653 N SER A 899 -14.128 25.415 24.189 1.00 38.81 N ATOM 2654 CA SER A 899 -14.001 24.801 25.516 1.00 42.04 C ATOM 2655 C SER A 899 -14.606 23.387 25.525 1.00 42.32 C ATOM 2656 O SER A 899 -14.023 22.474 26.109 1.00 44.54 O ATOM 2657 CB SER A 899 -14.680 25.663 26.595 1.00 43.55 C ATOM 2658 OG SER A 899 -16.042 25.897 26.265 1.00 44.17 O ATOM 2659 HG SER A 899 -16.460 26.452 26.970 1.00 0.00 H ATOM 2660 H SER A 899 -14.606 26.334 24.095 1.00 0.00 H ATOM 2661 N GLN A 900 -15.753 23.225 24.863 1.00 41.49 N ATOM 2662 CA GLN A 900 -16.447 21.934 24.762 1.00 43.26 C ATOM 2663 C GLN A 900 -15.717 20.973 23.825 1.00 41.34 C ATOM 2664 O GLN A 900 -15.575 19.780 24.141 1.00 41.95 O ATOM 2665 CB GLN A 900 -17.893 22.116 24.292 1.00 44.69 C ATOM 2666 CG GLN A 900 -18.844 21.004 24.735 1.00 49.24 C ATOM 2667 H GLN A 900 -16.176 24.052 24.396 1.00 0.00 H ATOM 2668 N LEU A 901 -15.234 21.497 22.693 1.00 37.70 N ATOM 2669 CA LEU A 901 -14.477 20.684 21.752 1.00 36.68 C ATOM 2670 C LEU A 901 -13.199 20.174 22.416 1.00 37.70 C ATOM 2671 O LEU A 901 -12.842 18.999 22.270 1.00 35.46 O ATOM 2672 CB LEU A 901 -14.140 21.468 20.484 1.00 34.51 C ATOM 2673 CG LEU A 901 -15.329 21.844 19.620 1.00 33.30 C ATOM 2674 CD1 LEU A 901 -14.954 22.909 18.612 1.00 33.26 C ATOM 2675 CD2 LEU A 901 -15.854 20.616 18.905 1.00 36.24 C ATOM 2676 H LEU A 901 -15.402 22.501 22.482 1.00 0.00 H ATOM 2677 N HIS A 902 -12.537 21.046 23.180 1.00 39.32 N ATOM 2678 CA HIS A 902 -11.318 20.649 23.857 1.00 42.10 C ATOM 2679 C HIS A 902 -11.578 19.604 24.940 1.00 41.79 C ATOM 2680 O HIS A 902 -10.881 18.572 25.034 1.00 42.11 O ATOM 2681 CB HIS A 902 -10.603 21.840 24.489 1.00 44.34 C ATOM 2682 CG HIS A 902 -9.447 21.428 25.337 1.00 45.64 C ATOM 2683 ND1 HIS A 902 -9.474 21.490 26.711 1.00 51.42 N ATOM 2684 CD2 HIS A 902 -8.270 20.852 25.009 1.00 46.41 C ATOM 2685 CE1 HIS A 902 -8.332 21.030 27.190 1.00 52.63 C ATOM 2686 NE2 HIS A 902 -7.581 20.640 26.177 1.00 49.20 N ATOM 2687 H HIS A 902 -12.898 22.015 23.290 1.00 0.00 H ATOM 2688 N ARG A 903 -12.557 19.884 25.778 1.00 42.84 N ATOM 2689 CA ARG A 903 -12.918 18.943 26.825 1.00 44.74 C ATOM 2690 C ARG A 903 -13.268 17.559 26.219 1.00 42.63 C ATOM 2691 O ARG A 903 -12.869 16.526 26.731 1.00 41.93 O ATOM 2692 CB ARG A 903 -14.065 19.529 27.645 1.00 48.41 C ATOM 2693 CG ARG A 903 -14.779 18.556 28.556 1.00 54.44 C ATOM 2694 CD ARG A 903 -15.895 19.253 29.317 1.00 59.99 C ATOM 2695 NE ARG A 903 -15.381 19.990 30.467 1.00 63.16 N ATOM 2696 HE ARG A 903 -14.361 19.988 30.672 1.00 0.00 H ATOM 2697 H ARG A 903 -13.073 20.782 25.689 1.00 0.00 H ATOM 2698 N PHE A 904 -14.014 17.550 25.126 1.00 39.95 N ATOM 2699 CA PHE A 904 -14.437 16.302 24.527 1.00 41.19 C ATOM 2700 C PHE A 904 -13.257 15.524 23.928 1.00 41.04 C ATOM 2701 O PHE A 904 -13.228 14.300 24.010 1.00 40.93 O ATOM 2702 CB PHE A 904 -15.517 16.556 23.471 1.00 41.40 C ATOM 2703 CG PHE A 904 -16.012 15.309 22.779 1.00 40.66 C ATOM 2704 CD1 PHE A 904 -15.239 14.681 21.809 1.00 39.53 C ATOM 2705 CD2 PHE A 904 -17.258 14.798 23.067 1.00 42.43 C ATOM 2706 CE1 PHE A 904 -15.681 13.546 21.170 1.00 41.05 C ATOM 2707 CE2 PHE A 904 -17.722 13.661 22.415 1.00 42.82 C ATOM 2708 CZ PHE A 904 -16.928 13.034 21.475 1.00 42.46 C ATOM 2709 H PHE A 904 -14.300 18.451 24.692 1.00 0.00 H ATOM 2710 N LEU A 905 -12.292 16.223 23.322 1.00 40.17 N ATOM 2711 CA LEU A 905 -11.116 15.545 22.784 1.00 39.14 C ATOM 2712 C LEU A 905 -10.176 15.085 23.882 1.00 41.29 C ATOM 2713 O LEU A 905 -9.669 13.959 23.819 1.00 40.65 O ATOM 2714 CB LEU A 905 -10.365 16.426 21.795 1.00 37.99 C ATOM 2715 CG LEU A 905 -11.108 16.586 20.464 1.00 38.15 C ATOM 2716 CD1 LEU A 905 -10.504 17.712 19.665 1.00 36.34 C ATOM 2717 CD2 LEU A 905 -11.080 15.301 19.654 1.00 37.70 C ATOM 2718 H LEU A 905 -12.379 17.256 23.233 1.00 0.00 H ATOM 2719 N ALA A 906 -9.928 15.948 24.874 1.00 42.10 N ATOM 2720 CA ALA A 906 -8.995 15.610 25.958 1.00 42.42 C ATOM 2721 C ALA A 906 -9.583 14.592 26.936 1.00 44.32 C ATOM 2722 O ALA A 906 -8.852 13.795 27.519 1.00 44.81 O ATOM 2723 CB ALA A 906 -8.532 16.861 26.699 1.00 42.99 C ATOM 2724 H ALA A 906 -10.403 16.873 24.878 1.00 0.00 H ATOM 2725 N GLU A 907 -10.897 14.605 27.118 1.00 45.20 N ATOM 2726 CA GLU A 907 -11.527 13.663 28.038 1.00 49.86 C ATOM 2727 C GLU A 907 -12.294 12.555 27.318 1.00 49.69 C ATOM 2728 O GLU A 907 -11.763 11.463 27.160 1.00 51.84 O ATOM 2729 CB GLU A 907 -12.410 14.396 29.053 1.00 52.48 C ATOM 2730 CG GLU A 907 -11.665 15.479 29.815 1.00 55.23 C ATOM 2731 CD GLU A 907 -12.564 16.269 30.740 1.00 58.32 C ATOM 2732 OE1 GLU A 907 -13.686 15.817 31.020 1.00 60.70 O ATOM 2733 OE2 GLU A 907 -12.149 17.352 31.185 1.00 63.16 O ATOM 2734 H GLU A 907 -11.483 15.292 26.601 1.00 0.00 H ATOM 2735 N ASP A 908 -13.510 12.839 26.853 1.00 48.99 N ATOM 2736 CA ASP A 908 -14.424 11.789 26.363 1.00 48.34 C ATOM 2737 C ASP A 908 -13.779 10.904 25.299 1.00 46.83 C ATOM 2738 O ASP A 908 -13.799 9.677 25.425 1.00 45.06 O ATOM 2739 CB ASP A 908 -15.714 12.389 25.808 1.00 47.91 C ATOM 2740 CG ASP A 908 -16.395 13.333 26.803 1.00 51.81 C ATOM 2741 OD1 ASP A 908 -15.752 14.310 27.267 1.00 50.03 O ATOM 2742 OD2 ASP A 908 -17.574 13.097 27.127 1.00 55.58 O ATOM 2743 H ASP A 908 -13.824 13.830 26.835 1.00 0.00 H ATOM 2744 N ALA A 909 -13.214 11.524 24.258 1.00 42.39 N ATOM 2745 CA ALA A 909 -12.622 10.764 23.154 1.00 42.51 C ATOM 2746 C ALA A 909 -11.406 9.929 23.610 1.00 42.68 C ATOM 2747 O ALA A 909 -11.266 8.768 23.242 1.00 41.26 O ATOM 2748 CB ALA A 909 -12.238 11.691 22.012 1.00 40.83 C ATOM 2749 H ALA A 909 -13.194 12.563 24.231 1.00 0.00 H ATOM 2750 N LEU A 910 -10.564 10.543 24.437 1.00 44.70 N ATOM 2751 CA LEU A 910 -9.362 9.912 24.959 1.00 48.36 C ATOM 2752 C LEU A 910 -9.696 8.782 25.929 1.00 48.34 C ATOM 2753 O LEU A 910 -8.988 7.796 26.002 1.00 47.05 O ATOM 2754 CB LEU A 910 -8.517 10.943 25.712 1.00 51.92 C ATOM 2755 CG LEU A 910 -7.039 11.054 25.375 1.00 56.47 C ATOM 2756 CD1 LEU A 910 -6.403 9.727 24.977 1.00 57.05 C ATOM 2757 CD2 LEU A 910 -6.867 12.094 24.266 1.00 56.05 C ATOM 2758 H LEU A 910 -10.775 11.520 24.724 1.00 0.00 H ATOM 2759 N ASN A 911 -10.766 8.971 26.701 1.00 47.47 N ATOM 2760 CA ASN A 911 -11.212 8.000 27.689 1.00 49.06 C ATOM 2761 C ASN A 911 -11.974 6.815 27.118 1.00 47.69 C ATOM 2762 O ASN A 911 -12.315 5.898 27.850 1.00 47.00 O ATOM 2763 CB ASN A 911 -12.114 8.683 28.723 1.00 51.11 C ATOM 2764 CG ASN A 911 -11.360 9.655 29.609 1.00 51.63 C ATOM 2765 OD1 ASN A 911 -10.133 9.623 29.700 1.00 52.86 O ATOM 2766 ND2 ASN A 911 -12.099 10.528 30.263 1.00 52.65 N ATOM 2767 HD22 ASN A 911 -13.133 10.518 30.155 1.00 0.00 H ATOM 2768 HD21 ASN A 911 -11.648 11.227 30.887 1.00 0.00 H ATOM 2769 H ASN A 911 -11.307 9.853 26.592 1.00 0.00 H ATOM 2770 N THR A 912 -12.271 6.850 25.824 1.00 45.58 N ATOM 2771 CA THR A 912 -13.062 5.791 25.215 1.00 46.59 C ATOM 2772 C THR A 912 -12.316 5.111 24.084 1.00 46.91 C ATOM 2773 O THR A 912 -12.924 4.443 23.248 1.00 47.37 O ATOM 2774 CB THR A 912 -14.432 6.324 24.743 1.00 45.15 C ATOM 2775 OG1 THR A 912 -14.241 7.380 23.806 1.00 39.88 O ATOM 2776 CG2 THR A 912 -15.244 6.850 25.942 1.00 45.08 C ATOM 2777 HG1 THR A 912 -13.734 8.113 24.236 1.00 0.00 H ATOM 2778 H THR A 912 -11.935 7.642 25.240 1.00 0.00 H ATOM 2779 N VAL A 913 -10.995 5.276 24.071 1.00 47.26 N ATOM 2780 CA VAL A 913 -10.137 4.484 23.202 1.00 49.66 C ATOM 2781 C VAL A 913 -10.332 2.998 23.532 1.00 53.47 C ATOM 2782 O VAL A 913 -10.432 2.585 24.694 1.00 55.73 O ATOM 2783 CB VAL A 913 -8.638 4.853 23.350 1.00 50.56 C ATOM 2784 CG1 VAL A 913 -7.771 3.907 22.525 1.00 51.54 C ATOM 2785 CG2 VAL A 913 -8.378 6.289 22.919 1.00 49.22 C ATOM 2786 OXT VAL A 913 -10.409 2.163 22.637 1.00 55.86 O ATOM 2787 H VAL A 913 -10.566 5.988 24.696 1.00 0.00 H TER 2788 VAL A 913 HETATM 2789 O HOH 1 22.162 41.329 11.533 1.00 43.62 O HETATM 2790 O HOH 2 26.034 31.906 23.285 1.00 33.94 O HETATM 2791 O HOH 3 22.663 22.768 26.948 1.00 46.52 O HETATM 2792 O HOH 4 -0.620 37.090 8.683 1.00 47.24 O HETATM 2793 O HOH 5 -3.254 25.502 24.823 1.00 33.82 O HETATM 2794 O HOH 6 -1.314 16.521 2.075 1.00 18.62 O HETATM 2795 O HOH 7 -4.084 21.557 2.812 1.00 34.85 O HETATM 2796 O HOH 8 -4.487 22.095 5.277 1.00 22.84 O HETATM 2797 O HOH 9 7.696 23.723 6.111 1.00 57.32 O HETATM 2798 O HOH 10 -12.229 7.671 20.972 1.00 25.97 O HETATM 2799 O HOH 11 -12.916 28.668 28.323 1.00 45.53 O HETATM 2800 O HOH 12 -12.279 32.523 17.353 1.00 32.06 O HETATM 2801 O HOH 13 -10.101 39.059 15.028 1.00 35.13 O HETATM 2802 O HOH 14 -6.412 34.314 9.067 1.00 39.60 O HETATM 2803 O HOH 15 -11.062 29.462 10.615 1.00 32.11 O HETATM 2804 O HOH 16 -8.963 27.692 6.573 1.00 26.89 O HETATM 2805 O HOH 17 4.076 12.913 23.514 1.00 50.67 O HETATM 2806 O HOH 18 -2.498 36.880 10.147 1.00 41.02 O HETATM 2807 O HOH 19 -1.077 30.321 -0.909 1.00 51.54 O HETATM 2808 O HOH 20 5.861 28.811 -2.727 1.00 46.34 O HETATM 2809 O HOH 21 5.043 26.276 -0.995 1.00 45.86 O HETATM 2810 O HOH 22 -5.603 30.544 -5.848 1.00 47.12 O HETATM 2811 O HOH 23 -10.098 25.182 -2.882 1.00 27.44 O HETATM 2812 O HOH 24 -10.497 25.530 -0.243 1.00 23.10 O HETATM 2813 O HOH 25 -16.387 23.550 4.782 1.00 31.80 O HETATM 2814 O HOH 26 -15.164 28.170 8.585 1.00 27.76 O HETATM 2815 O HOH 27 -20.208 32.948 11.387 1.00 30.62 O HETATM 2816 O HOH 28 -13.795 31.903 10.800 1.00 32.16 O HETATM 2817 O HOH 29 -14.182 15.114 0.719 1.00 19.70 O HETATM 2818 O HOH 30 -11.389 18.409 -7.036 1.00 41.49 O HETATM 2819 O HOH 31 -18.807 22.490 0.981 1.00 35.22 O HETATM 2820 O HOH 32 -18.967 18.492 6.154 1.00 26.20 O HETATM 2821 O HOH 33 -19.766 9.089 6.481 1.00 31.44 O HETATM 2822 O HOH 34 -23.532 12.449 7.069 1.00 47.03 O HETATM 2823 O HOH 35 -28.485 23.888 13.162 1.00 33.11 O HETATM 2824 O HOH 36 -25.548 30.775 11.646 1.00 53.42 O HETATM 2825 O HOH 37 5.912 27.299 7.733 1.00 50.60 O HETATM 2826 O HOH 38 -3.148 16.203 -0.480 1.00 47.88 O HETATM 2827 C01 DI A 1 -9.126 38.171 11.886 1.00 -0.02 C HETATM 2828 C02 DI A 1 -7.791 37.651 11.529 1.00 -0.03 C HETATM 2829 N03 DI A 1 -7.117 36.874 12.565 1.00 0.24 N HETATM 2830 C04 DI A 1 -6.843 37.709 13.739 1.00 0.01 C HETATM 2831 C05 DI A 1 -6.056 36.931 14.779 1.00 0.01 C HETATM 2832 N06 DI A 1 -4.814 36.409 14.197 1.00 0.26 N HETATM 2833 C07 DI A 1 -5.117 35.569 13.043 1.00 0.01 C HETATM 2834 C08 DI A 1 -5.859 36.358 12.013 1.00 0.01 C HETATM 2835 H DI A 1 -5.235 37.202 11.685 1.00 0.09 H HETATM 2836 H DI A 1 -6.081 35.710 11.152 1.00 0.09 H HETATM 2837 H DI A 1 -5.736 34.718 13.365 1.00 0.09 H HETATM 2838 H DI A 1 -4.178 35.196 12.608 1.00 0.09 H HETATM 2839 C09 DI A 1 -4.016 35.685 15.185 1.00 0.02 C HETATM 2840 C10 DI A 1 -2.617 35.411 14.695 1.00 0.04 C HETATM 2841 C11 DI A 1 -1.922 36.380 13.987 1.00 -0.02 C HETATM 2842 C12 DI A 1 -0.667 36.122 13.477 1.00 -0.02 C HETATM 2843 C13 DI A 1 -0.085 34.875 13.648 1.00 0.08 C HETATM 2844 C14 DI A 1 -0.765 33.906 14.368 1.00 -0.02 C HETATM 2845 C15 DI A 1 -2.023 34.165 14.895 1.00 0.06 C HETATM 2846 C16 DI A 1 -2.712 33.071 15.634 1.00 0.37 C HETATM 2847 F17 DI A 1 -3.081 33.425 16.780 1.00 -0.23 F HETATM 2848 F18 DI A 1 -1.987 32.025 15.783 1.00 -0.23 F HETATM 2849 F19 DI A 1 -3.746 32.669 15.051 1.00 -0.23 F HETATM 2850 H DI A 1 -0.309 32.934 14.522 1.00 0.09 H HETATM 2851 C20 DI A 1 1.287 34.501 13.210 1.00 0.23 C HETATM 2852 N21 DI A 1 2.095 35.522 12.851 1.00 -0.24 N HETATM 2853 C22 DI A 1 3.469 35.440 12.534 1.00 0.05 C HETATM 2854 C23 DI A 1 4.422 36.191 13.198 1.00 -0.06 C HETATM 2855 C24 DI A 1 5.755 36.054 12.872 1.00 -0.08 C HETATM 2856 C25 DI A 1 6.175 35.155 11.905 1.00 -0.03 C HETATM 2857 C26 DI A 1 7.636 34.976 11.612 1.00 -0.04 C HETATM 2858 H DI A 1 8.224 35.645 12.258 1.00 0.03 H HETATM 2859 H DI A 1 7.831 35.220 10.557 1.00 0.03 H HETATM 2860 H DI A 1 7.924 33.932 11.806 1.00 0.03 H HETATM 2861 C27 DI A 1 5.196 34.427 11.227 1.00 0.10 C HETATM 2862 C28 DI A 1 3.860 34.576 11.527 1.00 -0.02 C HETATM 2863 H DI A 1 3.115 34.016 10.974 1.00 0.04 H HETATM 2864 O29 DI A 1 5.336 33.340 10.431 1.00 -0.28 O HETATM 2865 C30 DI A 1 6.222 32.304 10.438 1.00 0.09 C HETATM 2866 C31 DI A 1 6.572 31.776 9.214 1.00 -0.05 C HETATM 2867 C32 DI A 1 7.198 30.548 9.146 1.00 -0.05 C HETATM 2868 C33 DI A 1 7.494 29.881 10.315 1.00 0.06 C HETATM 2869 C34 DI A 1 7.160 30.418 11.552 1.00 -0.01 C HETATM 2870 C35 DI A 1 7.633 29.468 12.606 1.00 0.07 C HETATM 2871 C36 DI A 1 8.248 28.351 11.813 1.00 0.21 C HETATM 2872 N37 DI A 1 8.141 28.674 10.498 1.00 -0.24 N HETATM 2873 H DI A 1 8.489 28.106 9.752 1.00 0.22 H HETATM 2874 O38 DI A 1 8.745 27.330 12.244 1.00 -0.39 O HETATM 2875 H DI A 1 6.792 29.103 13.214 1.00 0.06 H HETATM 2876 H DI A 1 8.379 29.944 13.260 1.00 0.06 H HETATM 2877 C39 DI A 1 6.520 31.642 11.619 1.00 -0.04 C HETATM 2878 H DI A 1 6.256 32.076 12.577 1.00 0.05 H HETATM 2879 H DI A 1 7.453 30.114 8.186 1.00 0.05 H HETATM 2880 H DI A 1 6.356 32.325 8.305 1.00 0.05 H HETATM 2881 H DI A 1 6.491 36.663 13.384 1.00 0.05 H HETATM 2882 H DI A 1 4.122 36.886 13.973 1.00 0.04 H HETATM 2883 H DI A 1 1.677 36.429 12.805 1.00 0.22 H HETATM 2884 O40 DI A 1 1.596 33.327 13.094 1.00 -0.38 O HETATM 2885 H DI A 1 -0.133 36.898 12.940 1.00 0.09 H HETATM 2886 H DI A 1 -2.372 37.354 13.832 1.00 0.06 H HETATM 2887 H DI A 1 -4.509 34.726 15.405 1.00 0.11 H HETATM 2888 H DI A 1 -3.958 36.287 16.104 1.00 0.11 H HETATM 2889 H DI A 1 -4.268 37.193 13.877 1.00 0.21 H HETATM 2890 H DI A 1 -6.667 36.091 15.142 1.00 0.09 H HETATM 2891 H DI A 1 -5.810 37.596 15.620 1.00 0.09 H HETATM 2892 H DI A 1 -7.796 38.038 14.179 1.00 0.09 H HETATM 2893 H DI A 1 -6.260 38.589 13.428 1.00 0.09 H HETATM 2894 H DI A 1 -7.705 36.103 12.840 1.00 0.20 H HETATM 2895 H DI A 1 -7.150 38.509 11.279 1.00 0.08 H HETATM 2896 H DI A 1 -7.904 37.008 10.644 1.00 0.08 H HETATM 2897 H DI A 1 -9.538 38.737 11.037 1.00 0.03 H HETATM 2898 H DI A 1 -9.040 38.832 12.761 1.00 0.03 H HETATM 2899 H DI A 1 -9.795 37.331 12.126 1.00 0.03 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1111 1112 1117 1118 1119 CONECT 1118 1111 CONECT 1119 1111 CONECT 1727 1728 1734 1735 1736 CONECT 1734 1727 CONECT 1735 1727 CONECT 1736 1727 CONECT 2827 2828 2897 2898 2899 CONECT 2828 2827 2829 2895 2896 CONECT 2829 2828 2830 2834 2894 CONECT 2830 2829 2831 2892 2893 CONECT 2831 2830 2832 2890 2891 CONECT 2832 2831 2833 2839 2889 CONECT 2833 2832 2834 2837 2838 CONECT 2834 2829 2833 2835 2836 CONECT 2835 2834 CONECT 2836 2834 CONECT 2837 2833 CONECT 2838 2833 CONECT 2839 2832 2840 2887 2888 CONECT 2840 2839 2841 2845 CONECT 2841 2840 2842 2886 CONECT 2842 2841 2843 2885 CONECT 2843 2842 2844 2851 CONECT 2844 2843 2845 2850 CONECT 2845 2840 2844 2846 CONECT 2846 2845 2847 2848 2849 CONECT 2847 2846 CONECT 2848 2846 CONECT 2849 2846 CONECT 2850 2844 CONECT 2851 2843 2852 2884 CONECT 2852 2851 2853 2883 CONECT 2853 2852 2854 2862 CONECT 2854 2853 2855 2882 CONECT 2855 2854 2856 2881 CONECT 2856 2855 2857 2861 CONECT 2857 2856 2858 2859 2860 CONECT 2858 2857 CONECT 2859 2857 CONECT 2860 2857 CONECT 2861 2856 2862 2864 CONECT 2862 2853 2861 2863 CONECT 2863 2862 CONECT 2864 2861 2865 CONECT 2865 2864 2866 2877 CONECT 2866 2865 2867 2880 CONECT 2867 2866 2868 2879 CONECT 2868 2867 2869 2872 CONECT 2869 2868 2870 2877 CONECT 2870 2869 2871 2875 2876 CONECT 2871 2870 2872 2874 CONECT 2872 2868 2871 2873 CONECT 2873 2872 CONECT 2874 2871 CONECT 2875 2870 CONECT 2876 2870 CONECT 2877 2865 2869 2878 CONECT 2878 2877 CONECT 2879 2867 CONECT 2880 2866 CONECT 2881 2855 CONECT 2882 2854 CONECT 2883 2852 CONECT 2884 2851 CONECT 2885 2842 CONECT 2886 2841 CONECT 2887 2839 CONECT 2888 2839 CONECT 2889 2832 CONECT 2890 2831 CONECT 2891 2831 CONECT 2892 2830 CONECT 2893 2830 CONECT 2894 2829 CONECT 2895 2828 CONECT 2896 2828 CONECT 2897 2827 CONECT 2898 2827 CONECT 2899 2827 MASTER 0 0 0 0 0 0 0 0 2896 3 84 24 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4ckr
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1, human DDR1 kinase domain
Ligand Name
DI1
EC.Number
E.C.2.7.10.1
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
IC50=105nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Acs Chem.Biol. Vol. 8: pp. 2145-2150
Ligand Properties
Formula
C
3
0
H
3
3
F
3
N
4
O
3
Molecular Weight
554.603
Exact Mass
554.250
No. of atoms
73
No. of bonds
77
Polar Surface Area
76.31
LOGP Value
4.40 (
Computed with XLOGP3
)
6.21 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
Canonical SMILES
CC[N@@H+]1CC[N@H+](CC1)Cc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(c(c1)Oc1ccc2c(c1)CC(=O)N2)C
InChI String
InChI=1S/C30H31F3N4O3/c1-3-36-10-12-37(13-11-36)18-21-6-5-20(15-25(21)30(31,32)33)29(39)34-23-7-4-19(2)27(17-23)40-24-8-9-26-22(14-24)16-28(38)35-26/h4-9,14-15,17H,3,10-13,16,18H2,1-2H3,(H,34,39)(H,35,38)/p+2
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):
Q08345
Entrez Gene ID
NCBI Entrez Gene ID:
780
ASD
Information of known allosteric effects of PDB entries
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