Browse entries in the PDBbind-CN Database
HEADER 4YE3_COMPLEX COMPND 4YE3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO PHE VAL THR VAL SEQRES 2 A 99 LYS VAL GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASN THR ILE PHE GLU ASP ILE ASN LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET VAL GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE LEU LYS VAL ARG GLU TYR ASP GLN VAL PRO ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS VAL ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN VAL ILE GLY ARG ASP THR MET THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO PHE VAL THR VAL SEQRES 2 B 99 LYS VAL GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASN THR ILE PHE GLU ASP ILE ASN LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET VAL GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE LEU LYS VAL ARG GLU TYR ASP GLN VAL PRO ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS VAL ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN VAL ILE GLY ARG ASP THR MET THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET G A 4 81 ATOM 1 N PRO A 1 -11.701 -37.753 -5.135 1.00 29.28 N ATOM 2 CA PRO A 1 -11.684 -37.894 -3.678 1.00 27.03 C ATOM 3 C PRO A 1 -12.753 -37.035 -2.975 1.00 23.26 C ATOM 4 O PRO A 1 -13.337 -36.138 -3.578 1.00 23.39 O ATOM 5 CB PRO A 1 -10.256 -37.408 -3.304 1.00 29.65 C ATOM 6 CG PRO A 1 -9.488 -37.362 -4.688 1.00 31.46 C ATOM 7 CD PRO A 1 -10.538 -36.997 -5.647 1.00 32.74 C ATOM 8 HN2 PRO A 1 -12.571 -37.254 -5.411 1.00 0.00 H ATOM 9 HN1 PRO A 1 -11.696 -38.701 -5.562 1.00 0.00 H ATOM 10 N GLN A 2 -13.010 -37.360 -1.727 1.00 20.51 N ATOM 11 CA GLN A 2 -13.813 -36.518 -0.798 1.00 17.81 C ATOM 12 C GLN A 2 -12.857 -36.118 0.285 1.00 16.44 C ATOM 13 O GLN A 2 -12.163 -36.976 0.857 1.00 19.05 O ATOM 14 CB GLN A 2 -15.115 -37.152 -0.247 1.00 18.44 C ATOM 15 CG GLN A 2 -15.954 -36.246 0.738 1.00 17.05 C ATOM 16 CD GLN A 2 -17.274 -36.783 1.341 1.00 15.79 C ATOM 17 OE1 GLN A 2 -17.310 -37.475 2.398 1.00 18.50 O ATOM 18 NE2 GLN A 2 -18.358 -36.511 0.633 1.00 21.71 N ATOM 19 HE22 GLN A 2 -18.284 -35.937 -0.231 1.00 0.00 H ATOM 20 HE21 GLN A 2 -19.284 -36.871 0.941 1.00 0.00 H ATOM 21 H GLN A 2 -12.630 -38.259 -1.367 1.00 0.00 H ATOM 22 N ILE A 3 -12.831 -34.816 0.608 1.00 13.89 N ATOM 23 CA ILE A 3 -11.955 -34.308 1.692 1.00 14.05 C ATOM 24 C ILE A 3 -12.752 -33.466 2.664 1.00 13.11 C ATOM 25 O ILE A 3 -13.664 -32.755 2.291 1.00 14.79 O ATOM 26 CB ILE A 3 -10.755 -33.534 1.153 1.00 14.41 C ATOM 27 CG1 ILE A 3 -11.177 -32.340 0.313 1.00 15.29 C ATOM 28 CG2 ILE A 3 -9.807 -34.422 0.335 1.00 17.89 C ATOM 29 CD1 ILE A 3 -9.969 -31.535 -0.129 1.00 17.87 C ATOM 30 H ILE A 3 -13.437 -34.150 0.088 1.00 0.00 H ATOM 31 N THR A 4 -12.354 -33.526 3.934 1.00 13.43 N ATOM 32 CA THR A 4 -12.811 -32.539 4.906 1.00 13.07 C ATOM 33 C THR A 4 -11.878 -31.357 4.842 1.00 14.20 C ATOM 34 O THR A 4 -10.980 -31.276 3.982 1.00 14.62 O ATOM 35 CB THR A 4 -12.750 -33.111 6.300 1.00 13.09 C ATOM 36 OG1 THR A 4 -11.450 -33.612 6.541 1.00 15.36 O ATOM 37 CG2 THR A 4 -13.804 -34.261 6.406 1.00 16.19 C ATOM 38 HG1 THR A 4 -10.793 -32.877 6.454 1.00 0.00 H ATOM 39 H THR A 4 -11.710 -34.285 4.236 1.00 0.00 H ATOM 40 N LEU A 5 -12.099 -30.340 5.681 1.00 12.38 N ATOM 41 CA LEU A 5 -11.459 -29.046 5.548 1.00 11.51 C ATOM 42 C LEU A 5 -10.664 -28.712 6.820 1.00 11.96 C ATOM 43 O LEU A 5 -10.298 -27.557 7.050 1.00 12.48 O ATOM 44 CB LEU A 5 -12.496 -27.975 5.247 1.00 12.65 C ATOM 45 CG LEU A 5 -13.105 -28.163 3.855 1.00 13.36 C ATOM 46 CD1 LEU A 5 -14.231 -27.217 3.710 1.00 16.30 C ATOM 47 CD2 LEU A 5 -12.060 -27.885 2.782 1.00 16.14 C ATOM 48 H LEU A 5 -12.763 -30.484 6.468 1.00 0.00 H ATOM 49 N TRP A 6 -10.288 -29.750 7.575 1.00 13.19 N ATOM 50 CA TRP A 6 -9.437 -29.518 8.732 1.00 14.79 C ATOM 51 C TRP A 6 -8.040 -29.083 8.368 1.00 17.17 C ATOM 52 O TRP A 6 -7.388 -28.379 9.115 1.00 19.00 O ATOM 53 CB TRP A 6 -9.329 -30.812 9.566 1.00 15.79 C ATOM 54 CG TRP A 6 -10.661 -31.147 10.135 1.00 14.98 C ATOM 55 CD1 TRP A 6 -11.545 -32.057 9.629 1.00 18.08 C ATOM 56 CD2 TRP A 6 -11.299 -30.595 11.266 1.00 14.00 C ATOM 57 NE1 TRP A 6 -12.676 -32.103 10.362 1.00 20.04 N ATOM 58 CE2 TRP A 6 -12.579 -31.212 11.390 1.00 15.80 C ATOM 59 CE3 TRP A 6 -10.935 -29.590 12.208 1.00 14.49 C ATOM 60 CZ2 TRP A 6 -13.469 -30.921 12.423 1.00 16.90 C ATOM 61 CZ3 TRP A 6 -11.821 -29.315 13.212 1.00 18.70 C ATOM 62 CH2 TRP A 6 -13.073 -29.945 13.303 1.00 17.05 C ATOM 63 HE1 TRP A 6 -13.492 -32.720 10.173 1.00 0.00 H ATOM 64 H TRP A 6 -10.601 -30.713 7.337 1.00 0.00 H ATOM 65 N LYS A 7 -7.561 -29.497 7.204 1.00 18.24 N ATOM 66 CA LYS A 7 -6.323 -28.881 6.696 1.00 20.16 C ATOM 67 C LYS A 7 -6.612 -28.106 5.406 1.00 16.88 C ATOM 68 O LYS A 7 -7.658 -28.276 4.787 1.00 16.55 O ATOM 69 CB LYS A 7 -5.153 -29.769 6.492 1.00 24.09 C ATOM 70 CG LYS A 7 -5.454 -30.786 5.520 1.00 25.40 C ATOM 71 CD LYS A 7 -4.226 -31.746 5.304 1.00 33.33 C ATOM 72 CE LYS A 7 -3.214 -31.328 4.227 1.00 40.40 C ATOM 73 NZ LYS A 7 -1.820 -31.407 4.779 1.00 44.71 N ATOM 74 HZ1 LYS A 7 -1.735 -30.770 5.596 1.00 0.00 H ATOM 75 HZ2 LYS A 7 -1.621 -32.383 5.077 1.00 0.00 H ATOM 76 HZ3 LYS A 7 -1.141 -31.123 4.044 1.00 0.00 H ATOM 77 H LYS A 7 -8.048 -30.239 6.662 1.00 0.00 H ATOM 78 N ARG A 8 -5.638 -27.315 4.992 1.00 17.53 N ATOM 79 CA ARG A 8 -5.773 -26.570 3.722 1.00 16.46 C ATOM 80 C ARG A 8 -5.889 -27.606 2.599 1.00 16.45 C ATOM 81 O ARG A 8 -5.087 -28.553 2.548 1.00 17.83 O ATOM 82 CB ARG A 8 -4.556 -25.682 3.459 1.00 17.42 C ATOM 83 CG ARG A 8 -4.279 -24.600 4.505 1.00 20.06 C ATOM 84 CD ARG A 8 -3.224 -23.537 4.038 1.00 22.16 C ATOM 85 NE ARG A 8 -1.830 -23.983 4.185 1.00 26.17 N ATOM 86 CZ ARG A 8 -0.743 -23.308 3.776 1.00 25.66 C ATOM 87 NH1 ARG A 8 -0.857 -22.140 3.149 1.00 24.74 N ATOM 88 NH2 ARG A 8 0.467 -23.798 3.990 1.00 28.37 N ATOM 89 HE ARG A 8 -1.672 -24.902 4.646 1.00 0.00 H ATOM 90 HH12 ARG A 8 -0.005 -21.631 2.839 1.00 0.00 H ATOM 91 HH11 ARG A 8 -1.798 -21.736 2.969 1.00 0.00 H ATOM 92 HH22 ARG A 8 1.305 -23.271 3.671 1.00 0.00 H ATOM 93 HH21 ARG A 8 0.580 -24.710 4.477 1.00 0.00 H ATOM 94 H ARG A 8 -4.773 -27.216 5.561 1.00 0.00 H ATOM 95 N PRO A 9 -6.828 -27.413 1.671 1.00 14.82 N ATOM 96 CA PRO A 9 -7.092 -28.419 0.619 1.00 14.59 C ATOM 97 C PRO A 9 -6.138 -28.272 -0.589 1.00 15.28 C ATOM 98 O PRO A 9 -6.519 -27.913 -1.680 1.00 16.11 O ATOM 99 CB PRO A 9 -8.533 -28.127 0.227 1.00 14.89 C ATOM 100 CG PRO A 9 -8.681 -26.613 0.463 1.00 15.31 C ATOM 101 CD PRO A 9 -7.896 -26.396 1.725 1.00 14.04 C ATOM 102 N PHE A 10 -4.889 -28.593 -0.349 1.00 15.33 N ATOM 103 CA PHE A 10 -3.910 -28.688 -1.409 1.00 15.14 C ATOM 104 C PHE A 10 -4.081 -29.874 -2.254 1.00 16.42 C ATOM 105 O PHE A 10 -4.291 -30.980 -1.742 1.00 18.43 O ATOM 106 CB PHE A 10 -2.498 -28.636 -0.879 1.00 16.90 C ATOM 107 CG PHE A 10 -2.077 -27.239 -0.503 1.00 18.41 C ATOM 108 CD1 PHE A 10 -1.780 -26.309 -1.533 1.00 20.63 C ATOM 109 CD2 PHE A 10 -2.006 -26.824 0.842 1.00 23.71 C ATOM 110 CE1 PHE A 10 -1.399 -25.009 -1.230 1.00 21.17 C ATOM 111 CE2 PHE A 10 -1.633 -25.520 1.141 1.00 25.12 C ATOM 112 CZ PHE A 10 -1.311 -24.623 0.132 1.00 23.90 C ATOM 113 H PHE A 10 -4.595 -28.784 0.630 1.00 0.00 H ATOM 114 N VAL A 11 -3.809 -29.689 -3.549 1.00 15.19 N ATOM 115 CA VAL A 11 -3.734 -30.807 -4.494 1.00 16.15 C ATOM 116 C VAL A 11 -2.470 -30.584 -5.357 1.00 14.05 C ATOM 117 O VAL A 11 -1.968 -29.472 -5.532 1.00 14.63 O ATOM 118 CB VAL A 11 -4.938 -30.907 -5.453 1.00 18.57 C ATOM 119 CG1 VAL A 11 -6.198 -31.379 -4.655 1.00 21.26 C ATOM 120 CG2 VAL A 11 -5.192 -29.574 -6.276 1.00 17.39 C ATOM 121 H VAL A 11 -3.646 -28.723 -3.897 1.00 0.00 H ATOM 122 N THR A 12 -1.907 -31.695 -5.803 1.00 14.90 N ATOM 123 CA THR A 12 -0.772 -31.705 -6.739 1.00 14.33 C ATOM 124 C THR A 12 -1.280 -31.666 -8.163 1.00 15.39 C ATOM 125 O THR A 12 -2.167 -32.457 -8.533 1.00 20.06 O ATOM 126 CB THR A 12 0.127 -32.914 -6.447 1.00 18.39 C ATOM 127 OG1 THR A 12 0.551 -32.885 -5.077 1.00 19.55 O ATOM 128 CG2 THR A 12 1.359 -32.886 -7.257 1.00 21.99 C ATOM 129 HG1 THR A 12 -0.243 -32.917 -4.486 1.00 0.00 H ATOM 130 H THR A 12 -2.286 -32.607 -5.476 1.00 0.00 H ATOM 131 N VAL A 13 -0.742 -30.736 -8.934 1.00 14.66 N ATOM 132 CA VAL A 13 -1.157 -30.551 -10.301 1.00 15.42 C ATOM 133 C VAL A 13 0.055 -30.496 -11.218 1.00 14.59 C ATOM 134 O VAL A 13 1.210 -30.255 -10.779 1.00 15.57 O ATOM 135 CB VAL A 13 -2.038 -29.305 -10.428 1.00 17.01 C ATOM 136 CG1 VAL A 13 -1.267 -28.110 -10.019 1.00 17.47 C ATOM 137 CG2 VAL A 13 -2.540 -29.110 -11.815 1.00 21.10 C ATOM 138 H VAL A 13 0.001 -30.122 -8.543 1.00 0.00 H ATOM 139 N LYS A 14 -0.191 -30.754 -12.498 1.00 13.66 N ATOM 140 CA LYS A 14 0.816 -30.493 -13.533 1.00 13.54 C ATOM 141 C LYS A 14 0.209 -29.456 -14.444 1.00 13.13 C ATOM 142 O LYS A 14 -0.845 -29.668 -15.002 1.00 16.37 O ATOM 143 CB LYS A 14 0.971 -31.792 -14.234 1.00 18.22 C ATOM 144 CG LYS A 14 2.239 -32.174 -14.113 1.00 27.90 C ATOM 145 CD LYS A 14 2.640 -31.569 -15.383 1.00 25.76 C ATOM 146 CE LYS A 14 3.166 -32.839 -16.104 1.00 31.94 C ATOM 147 NZ LYS A 14 2.067 -33.773 -15.976 1.00 38.40 N ATOM 148 HZ1 LYS A 14 1.871 -33.940 -14.968 1.00 0.00 H ATOM 149 HZ2 LYS A 14 1.222 -33.377 -16.434 1.00 0.00 H ATOM 150 HZ3 LYS A 14 2.322 -34.671 -16.434 1.00 0.00 H ATOM 151 H LYS A 14 -1.114 -31.148 -12.771 1.00 0.00 H ATOM 152 N VAL A 15 0.843 -28.300 -14.555 1.00 11.76 N ATOM 153 CA VAL A 15 0.295 -27.180 -15.329 1.00 12.71 C ATOM 154 C VAL A 15 1.377 -26.800 -16.305 1.00 12.96 C ATOM 155 O VAL A 15 2.524 -26.487 -15.928 1.00 13.11 O ATOM 156 CB VAL A 15 -0.139 -25.991 -14.386 1.00 12.42 C ATOM 157 CG1 VAL A 15 0.933 -25.598 -13.421 1.00 15.71 C ATOM 158 CG2 VAL A 15 -0.593 -24.804 -15.277 1.00 15.71 C ATOM 159 H VAL A 15 1.760 -28.181 -14.078 1.00 0.00 H ATOM 160 N GLY A 16 1.017 -26.831 -17.596 1.00 15.81 N ATOM 161 CA GLY A 16 2.034 -26.591 -18.660 1.00 16.12 C ATOM 162 C GLY A 16 3.335 -27.386 -18.450 1.00 15.49 C ATOM 163 O GLY A 16 4.464 -26.881 -18.635 1.00 16.67 O ATOM 164 H GLY A 16 0.028 -27.022 -17.856 1.00 0.00 H ATOM 165 N GLY A 17 3.198 -28.621 -18.033 1.00 16.27 N ATOM 166 CA GLY A 17 4.406 -29.467 -17.859 1.00 14.68 C ATOM 167 C GLY A 17 5.177 -29.356 -16.498 1.00 14.93 C ATOM 168 O GLY A 17 6.131 -30.095 -16.298 1.00 15.90 O ATOM 169 H GLY A 17 2.254 -29.004 -17.826 1.00 0.00 H ATOM 170 N GLN A 18 4.746 -28.447 -15.611 1.00 11.76 N ATOM 171 CA GLN A 18 5.428 -28.150 -14.377 1.00 11.99 C ATOM 172 C GLN A 18 4.597 -28.664 -13.223 1.00 12.02 C ATOM 173 O GLN A 18 3.383 -28.525 -13.202 1.00 12.78 O ATOM 174 CB GLN A 18 5.619 -26.622 -14.301 1.00 13.60 C ATOM 175 CG GLN A 18 6.630 -26.141 -15.341 1.00 14.46 C ATOM 176 CD GLN A 18 6.340 -24.739 -15.866 1.00 14.92 C ATOM 177 OE1 GLN A 18 6.843 -23.797 -15.333 1.00 17.08 O ATOM 178 NE2 GLN A 18 5.559 -24.618 -16.939 1.00 19.47 N ATOM 179 HE22 GLN A 18 5.139 -25.464 -17.375 1.00 0.00 H ATOM 180 HE21 GLN A 18 5.369 -23.678 -17.341 1.00 0.00 H ATOM 181 H GLN A 18 3.871 -27.928 -15.826 1.00 0.00 H ATOM 182 N LEU A 19 5.238 -29.314 -12.265 1.00 13.22 N ATOM 183 CA LEU A 19 4.496 -29.818 -11.136 1.00 13.44 C ATOM 184 C LEU A 19 4.413 -28.708 -10.116 1.00 13.54 C ATOM 185 O LEU A 19 5.401 -28.021 -9.826 1.00 15.30 O ATOM 186 CB LEU A 19 5.162 -31.057 -10.514 1.00 15.24 C ATOM 187 CG LEU A 19 4.944 -32.454 -11.143 1.00 20.58 C ATOM 188 CD1 LEU A 19 5.246 -32.580 -12.615 1.00 20.47 C ATOM 189 CD2 LEU A 19 5.807 -33.482 -10.479 1.00 19.46 C ATOM 190 H LEU A 19 6.266 -29.460 -12.326 1.00 0.00 H ATOM 191 N LYS A 20 3.233 -28.591 -9.523 1.00 12.54 N ATOM 192 CA LYS A 20 2.958 -27.541 -8.512 1.00 13.33 C ATOM 193 C LYS A 20 1.965 -28.052 -7.530 1.00 12.05 C ATOM 194 O LYS A 20 1.203 -28.943 -7.829 1.00 15.95 O ATOM 195 CB LYS A 20 2.387 -26.240 -9.186 1.00 14.83 C ATOM 196 CG LYS A 20 3.349 -25.588 -10.129 1.00 17.62 C ATOM 197 CD LYS A 20 4.548 -24.980 -9.357 1.00 22.82 C ATOM 198 CE LYS A 20 5.301 -24.070 -10.183 1.00 33.85 C ATOM 199 NZ LYS A 20 6.368 -23.379 -9.404 1.00 35.05 N ATOM 200 HZ1 LYS A 20 5.934 -22.838 -8.629 1.00 0.00 H ATOM 201 HZ2 LYS A 20 7.022 -24.086 -9.012 1.00 0.00 H ATOM 202 HZ3 LYS A 20 6.889 -22.732 -10.030 1.00 0.00 H ATOM 203 H LYS A 20 2.475 -29.257 -9.775 1.00 0.00 H ATOM 204 N GLU A 21 1.924 -27.437 -6.357 1.00 13.54 N ATOM 205 CA GLU A 21 0.711 -27.671 -5.557 1.00 14.08 C ATOM 206 C GLU A 21 -0.110 -26.391 -5.462 1.00 12.08 C ATOM 207 O GLU A 21 0.452 -25.264 -5.580 1.00 14.25 O ATOM 208 CB GLU A 21 0.968 -28.211 -4.170 1.00 16.61 C ATOM 209 CG GLU A 21 1.873 -27.344 -3.395 1.00 21.55 C ATOM 210 CD GLU A 21 2.203 -27.915 -1.971 1.00 26.66 C ATOM 211 OE1 GLU A 21 2.641 -27.120 -1.127 1.00 32.46 O ATOM 212 OE2 GLU A 21 2.080 -29.137 -1.687 1.00 30.31 O ATOM 213 H GLU A 21 2.699 -26.829 -6.023 1.00 0.00 H ATOM 214 N ALA A 22 -1.404 -26.599 -5.309 1.00 11.70 N ATOM 215 CA ALA A 22 -2.339 -25.475 -5.381 1.00 10.82 C ATOM 216 C ALA A 22 -3.512 -25.771 -4.482 1.00 12.18 C ATOM 217 O ALA A 22 -3.905 -26.936 -4.298 1.00 13.85 O ATOM 218 CB ALA A 22 -2.741 -25.203 -6.803 1.00 11.91 C ATOM 219 H ALA A 22 -1.759 -27.561 -5.137 1.00 0.00 H ATOM 220 N LEU A 23 -4.054 -24.703 -3.924 1.00 12.28 N ATOM 221 CA LEU A 23 -5.149 -24.739 -2.978 1.00 11.89 C ATOM 222 C LEU A 23 -6.540 -24.856 -3.754 1.00 12.11 C ATOM 223 O LEU A 23 -6.759 -23.867 -4.533 1.00 9.89 O ATOM 224 CB LEU A 23 -5.000 -23.386 -2.230 1.00 12.80 C ATOM 225 CG LEU A 23 -6.016 -23.086 -1.175 1.00 13.35 C ATOM 226 CD1 LEU A 23 -5.825 -24.088 -0.030 1.00 15.15 C ATOM 227 CD2 LEU A 23 -5.848 -21.681 -0.672 1.00 14.61 C ATOM 228 H LEU A 23 -3.667 -23.773 -4.182 1.00 0.00 H ATOM 229 N LEU A 24 -7.377 -25.983 -3.602 1.00 14.64 N ATOM 230 CA LEU A 24 -8.742 -26.044 -4.141 1.00 15.79 C ATOM 231 C LEU A 24 -9.516 -24.925 -3.441 1.00 15.74 C ATOM 232 O LEU A 24 -9.746 -24.988 -2.221 1.00 18.58 O ATOM 233 CB LEU A 24 -9.423 -27.343 -3.856 1.00 18.14 C ATOM 234 CG LEU A 24 -8.718 -28.486 -4.518 1.00 19.50 C ATOM 235 CD1 LEU A 24 -9.416 -29.814 -4.077 1.00 23.08 C ATOM 236 CD2 LEU A 24 -8.828 -28.308 -6.033 1.00 22.41 C ATOM 237 H LEU A 24 -7.010 -26.807 -3.085 1.00 0.00 H ATOM 238 N ASP A 25 -9.880 -23.872 -4.183 1.00 13.28 N ATOM 239 CA ASP A 25 -10.359 -22.630 -3.613 1.00 12.23 C ATOM 240 C ASP A 25 -11.704 -22.216 -4.170 1.00 12.03 C ATOM 241 O ASP A 25 -11.825 -21.568 -5.232 1.00 12.52 O ATOM 242 CB ASP A 25 -9.306 -21.598 -3.825 1.00 13.79 C ATOM 243 CG ASP A 25 -9.605 -20.378 -3.146 1.00 17.54 C ATOM 244 OD1 ASP A 25 -10.746 -20.310 -2.551 1.00 19.58 O ATOM 245 OD2 ASP A 25 -8.770 -19.454 -3.154 1.00 17.79 O ATOM 246 H ASP A 25 -9.816 -23.950 -5.218 1.00 0.00 H ATOM 247 N THR A 26 -12.777 -22.578 -3.471 1.00 10.54 N ATOM 248 CA THR A 26 -14.118 -22.304 -3.938 1.00 9.66 C ATOM 249 C THR A 26 -14.407 -20.775 -3.941 1.00 9.50 C ATOM 250 O THR A 26 -15.365 -20.360 -4.613 1.00 10.65 O ATOM 251 CB THR A 26 -15.166 -23.040 -3.102 1.00 9.60 C ATOM 252 OG1 THR A 26 -15.032 -22.656 -1.723 1.00 9.72 O ATOM 253 CG2 THR A 26 -15.011 -24.565 -3.250 1.00 11.65 C ATOM 254 HG1 THR A 26 -15.168 -21.679 -1.639 1.00 0.00 H ATOM 255 H THR A 26 -12.648 -23.071 -2.565 1.00 0.00 H ATOM 256 N GLY A 27 -13.598 -19.992 -3.204 1.00 10.36 N ATOM 257 CA GLY A 27 -13.761 -18.527 -3.225 1.00 11.63 C ATOM 258 C GLY A 27 -13.032 -17.838 -4.366 1.00 11.66 C ATOM 259 O GLY A 27 -13.097 -16.598 -4.461 1.00 13.12 O ATOM 260 H GLY A 27 -12.855 -20.422 -2.617 1.00 0.00 H ATOM 261 N ALA A 28 -12.352 -18.603 -5.240 1.00 10.95 N ATOM 262 CA ALA A 28 -11.598 -18.029 -6.353 1.00 11.52 C ATOM 263 C ALA A 28 -12.308 -18.313 -7.641 1.00 11.16 C ATOM 264 O ALA A 28 -12.607 -19.468 -7.989 1.00 12.38 O ATOM 265 CB ALA A 28 -10.228 -18.698 -6.398 1.00 14.62 C ATOM 266 H ALA A 28 -12.363 -19.636 -5.120 1.00 0.00 H ATOM 267 N ASP A 29 -12.593 -17.244 -8.411 1.00 11.00 N ATOM 268 CA ASP A 29 -13.248 -17.458 -9.723 1.00 10.62 C ATOM 269 C ASP A 29 -12.220 -18.095 -10.695 1.00 11.23 C ATOM 270 O ASP A 29 -12.643 -18.904 -11.533 1.00 12.03 O ATOM 271 CB ASP A 29 -13.672 -16.138 -10.340 1.00 11.88 C ATOM 272 CG ASP A 29 -14.736 -15.374 -9.555 1.00 15.29 C ATOM 273 OD1 ASP A 29 -15.455 -15.942 -8.699 1.00 14.70 O ATOM 274 OD2 ASP A 29 -14.823 -14.118 -9.841 1.00 21.32 O ATOM 275 H ASP A 29 -12.357 -16.284 -8.089 1.00 0.00 H ATOM 276 N ASN A 30 -10.953 -17.729 -10.600 1.00 11.40 N ATOM 277 CA ASN A 30 -9.996 -18.183 -11.548 1.00 11.41 C ATOM 278 C ASN A 30 -8.841 -18.911 -10.903 1.00 10.55 C ATOM 279 O ASN A 30 -8.657 -18.875 -9.702 1.00 11.69 O ATOM 280 CB ASN A 30 -9.459 -17.023 -12.425 1.00 11.85 C ATOM 281 CG ASN A 30 -10.562 -16.360 -13.203 1.00 16.22 C ATOM 282 OD1 ASN A 30 -10.789 -15.179 -13.077 1.00 22.51 O ATOM 283 ND2 ASN A 30 -11.327 -17.136 -13.910 1.00 18.65 N ATOM 284 HD22 ASN A 30 -11.103 -18.148 -13.998 1.00 0.00 H ATOM 285 HD21 ASN A 30 -12.164 -16.746 -14.388 1.00 0.00 H ATOM 286 H ASN A 30 -10.654 -17.103 -9.825 1.00 0.00 H ATOM 287 N THR A 31 -8.040 -19.536 -11.718 1.00 12.60 N ATOM 288 CA THR A 31 -6.910 -20.329 -11.323 1.00 11.69 C ATOM 289 C THR A 31 -5.665 -19.482 -11.523 1.00 11.18 C ATOM 290 O THR A 31 -5.481 -18.894 -12.622 1.00 12.20 O ATOM 291 CB THR A 31 -6.899 -21.565 -12.243 1.00 12.28 C ATOM 292 OG1 THR A 31 -8.056 -22.364 -11.834 1.00 15.55 O ATOM 293 CG2 THR A 31 -5.653 -22.376 -12.093 1.00 13.16 C ATOM 294 HG1 THR A 31 -8.106 -23.180 -12.392 1.00 0.00 H ATOM 295 H THR A 31 -8.234 -19.454 -12.736 1.00 0.00 H ATOM 296 N ILE A 32 -4.779 -19.474 -10.540 1.00 9.51 N ATOM 297 CA ILE A 32 -3.632 -18.593 -10.541 1.00 10.08 C ATOM 298 C ILE A 32 -2.409 -19.338 -10.038 1.00 9.07 C ATOM 299 O ILE A 32 -2.488 -20.043 -8.992 1.00 9.05 O ATOM 300 CB ILE A 32 -3.850 -17.364 -9.653 1.00 9.10 C ATOM 301 CG1 ILE A 32 -5.207 -16.755 -9.904 1.00 12.15 C ATOM 302 CG2 ILE A 32 -2.681 -16.366 -9.793 1.00 9.90 C ATOM 303 CD1 ILE A 32 -5.476 -15.525 -9.095 1.00 14.28 C ATOM 304 H ILE A 32 -4.912 -20.124 -9.739 1.00 0.00 H ATOM 305 N PHE A 33 -1.319 -19.194 -10.788 1.00 10.13 N ATOM 306 CA PHE A 33 -0.021 -19.712 -10.322 1.00 11.58 C ATOM 307 C PHE A 33 1.022 -18.656 -10.393 1.00 11.80 C ATOM 308 O PHE A 33 1.010 -17.783 -11.253 1.00 13.90 O ATOM 309 CB PHE A 33 0.460 -20.848 -11.252 1.00 12.64 C ATOM 310 CG PHE A 33 -0.319 -22.117 -11.125 1.00 12.07 C ATOM 311 CD1 PHE A 33 0.091 -23.099 -10.250 1.00 13.67 C ATOM 312 CD2 PHE A 33 -1.438 -22.323 -11.825 1.00 15.24 C ATOM 313 CE1 PHE A 33 -0.656 -24.235 -10.088 1.00 14.48 C ATOM 314 CE2 PHE A 33 -2.236 -23.528 -11.677 1.00 18.15 C ATOM 315 CZ PHE A 33 -1.829 -24.442 -10.730 1.00 15.67 C ATOM 316 H PHE A 33 -1.384 -18.713 -11.708 1.00 0.00 H ATOM 317 N GLU A 34 1.970 -18.799 -9.457 1.00 12.66 N ATOM 318 CA GLU A 34 3.242 -18.081 -9.427 1.00 14.66 C ATOM 319 C GLU A 34 4.326 -18.943 -10.045 1.00 16.02 C ATOM 320 O GLU A 34 4.271 -20.148 -9.911 1.00 18.43 O ATOM 321 CB GLU A 34 3.645 -17.760 -7.994 1.00 15.53 C ATOM 322 CG GLU A 34 4.729 -16.735 -8.106 1.00 20.55 C ATOM 323 CD GLU A 34 5.346 -16.212 -6.844 1.00 26.87 C ATOM 324 OE1 GLU A 34 5.160 -16.828 -5.767 1.00 26.16 O ATOM 325 OE2 GLU A 34 6.049 -15.168 -6.984 1.00 27.59 O ATOM 326 H GLU A 34 1.785 -19.476 -8.690 1.00 0.00 H ATOM 327 N ASP A 35 5.304 -18.346 -10.657 1.00 17.77 N ATOM 328 CA ASP A 35 6.561 -19.036 -11.035 1.00 20.08 C ATOM 329 C ASP A 35 6.365 -20.234 -11.916 1.00 19.53 C ATOM 330 O ASP A 35 6.844 -21.379 -11.614 1.00 20.71 O ATOM 331 CB ASP A 35 7.344 -19.468 -9.799 1.00 21.84 C ATOM 332 CG ASP A 35 7.703 -18.341 -8.923 1.00 25.87 C ATOM 333 OD1 ASP A 35 7.744 -18.678 -7.750 1.00 35.27 O ATOM 334 OD2 ASP A 35 7.827 -17.123 -9.349 1.00 26.66 O ATOM 335 H ASP A 35 5.201 -17.338 -10.893 1.00 0.00 H ATOM 336 N ILE A 36 5.558 -20.030 -12.949 1.00 15.42 N ATOM 337 CA ILE A 36 5.502 -21.000 -13.996 1.00 14.38 C ATOM 338 C ILE A 36 5.707 -20.241 -15.234 1.00 15.42 C ATOM 339 O ILE A 36 5.488 -19.015 -15.329 1.00 17.69 O ATOM 340 CB ILE A 36 4.211 -21.751 -14.085 1.00 14.41 C ATOM 341 CG1 ILE A 36 2.998 -20.861 -14.335 1.00 14.53 C ATOM 342 CG2 ILE A 36 4.017 -22.754 -12.889 1.00 17.53 C ATOM 343 CD1 ILE A 36 1.759 -21.701 -14.641 1.00 16.39 C ATOM 344 H ILE A 36 4.972 -19.172 -12.996 1.00 0.00 H ATOM 345 N ASN A 37 6.248 -20.947 -16.217 1.00 14.69 N ATOM 346 CA ASN A 37 6.453 -20.338 -17.518 1.00 17.53 C ATOM 347 C ASN A 37 5.616 -21.059 -18.574 1.00 16.79 C ATOM 348 O ASN A 37 5.637 -22.320 -18.650 1.00 17.47 O ATOM 349 CB ASN A 37 7.954 -20.270 -17.853 1.00 21.40 C ATOM 350 CG ASN A 37 8.703 -19.165 -17.037 1.00 23.34 C ATOM 351 OD1 ASN A 37 9.177 -18.164 -17.601 1.00 31.89 O ATOM 352 ND2 ASN A 37 8.879 -19.382 -15.752 1.00 28.55 N ATOM 353 HD22 ASN A 37 8.471 -20.229 -15.307 1.00 0.00 H ATOM 354 HD21 ASN A 37 9.427 -18.707 -15.181 1.00 0.00 H ATOM 355 H ASN A 37 6.525 -21.936 -16.056 1.00 0.00 H ATOM 356 N LEU A 38 4.814 -20.279 -19.270 1.00 16.89 N ATOM 357 CA LEU A 38 3.926 -20.800 -20.231 1.00 15.50 C ATOM 358 C LEU A 38 4.257 -20.196 -21.597 1.00 14.79 C ATOM 359 O LEU A 38 4.670 -19.048 -21.664 1.00 16.08 O ATOM 360 CB LEU A 38 2.469 -20.439 -19.827 1.00 14.95 C ATOM 361 CG LEU A 38 2.005 -21.202 -18.574 1.00 12.96 C ATOM 362 CD1 LEU A 38 0.571 -20.713 -18.304 1.00 14.64 C ATOM 363 CD2 LEU A 38 2.007 -22.719 -18.825 1.00 16.02 C ATOM 364 H LEU A 38 4.837 -19.252 -19.106 1.00 0.00 H ATOM 365 N PRO A 39 4.059 -20.947 -22.669 1.00 14.19 N ATOM 366 CA PRO A 39 4.433 -20.398 -23.966 1.00 16.93 C ATOM 367 C PRO A 39 3.341 -19.605 -24.608 1.00 15.87 C ATOM 368 O PRO A 39 2.179 -19.713 -24.266 1.00 16.46 O ATOM 369 CB PRO A 39 4.687 -21.667 -24.787 1.00 17.89 C ATOM 370 CG PRO A 39 3.632 -22.663 -24.234 1.00 17.71 C ATOM 371 CD PRO A 39 3.624 -22.352 -22.737 1.00 14.95 C ATOM 372 N GLY A 40 3.713 -18.816 -25.593 1.00 15.88 N ATOM 373 CA GLY A 40 2.757 -18.156 -26.472 1.00 17.77 C ATOM 374 C GLY A 40 2.238 -16.846 -25.976 1.00 18.09 C ATOM 375 O GLY A 40 2.729 -16.282 -25.000 1.00 18.94 O ATOM 376 H GLY A 40 4.729 -18.657 -25.750 1.00 0.00 H ATOM 377 N ARG A 41 1.225 -16.360 -26.680 1.00 20.78 N ATOM 378 CA ARG A 41 0.626 -15.088 -26.352 1.00 21.16 C ATOM 379 C ARG A 41 -0.167 -15.095 -25.051 1.00 19.72 C ATOM 380 O ARG A 41 -0.734 -16.104 -24.653 1.00 19.92 O ATOM 381 CB ARG A 41 -0.276 -14.642 -27.484 1.00 23.26 C ATOM 382 CG ARG A 41 0.089 -13.341 -27.861 1.00 36.38 C ATOM 383 CD ARG A 41 1.422 -13.412 -28.619 1.00 39.70 C ATOM 384 NE ARG A 41 1.680 -12.170 -29.310 1.00 49.93 N ATOM 385 CZ ARG A 41 1.836 -12.109 -30.631 1.00 52.46 C ATOM 386 NH1 ARG A 41 1.794 -13.247 -31.337 1.00 55.26 N ATOM 387 NH2 ARG A 41 2.056 -10.936 -31.241 1.00 55.50 N ATOM 388 HE ARG A 41 1.746 -11.292 -28.756 1.00 0.00 H ATOM 389 HH12 ARG A 41 1.913 -13.223 -32.370 1.00 0.00 H ATOM 390 HH11 ARG A 41 1.642 -14.154 -30.852 1.00 0.00 H ATOM 391 HH22 ARG A 41 2.176 -10.901 -32.273 1.00 0.00 H ATOM 392 HH21 ARG A 41 2.106 -10.061 -30.682 1.00 0.00 H ATOM 393 H ARG A 41 0.855 -16.906 -27.484 1.00 0.00 H ATOM 394 N TRP A 42 -0.250 -13.929 -24.458 1.00 20.04 N ATOM 395 CA TRP A 42 -1.065 -13.727 -23.274 1.00 18.61 C ATOM 396 C TRP A 42 -1.672 -12.374 -23.273 1.00 20.06 C ATOM 397 O TRP A 42 -1.299 -11.501 -24.124 1.00 22.18 O ATOM 398 CB TRP A 42 -0.198 -13.902 -22.035 1.00 20.45 C ATOM 399 CG TRP A 42 1.034 -13.106 -21.993 1.00 24.20 C ATOM 400 CD1 TRP A 42 2.267 -13.475 -22.525 1.00 26.95 C ATOM 401 CD2 TRP A 42 1.213 -11.815 -21.453 1.00 27.96 C ATOM 402 NE1 TRP A 42 3.194 -12.518 -22.270 1.00 29.44 N ATOM 403 CE2 TRP A 42 2.584 -11.456 -21.672 1.00 27.71 C ATOM 404 CE3 TRP A 42 0.363 -10.901 -20.829 1.00 28.09 C ATOM 405 CZ2 TRP A 42 3.121 -10.229 -21.276 1.00 33.02 C ATOM 406 CZ3 TRP A 42 0.891 -9.676 -20.433 1.00 31.97 C ATOM 407 CH2 TRP A 42 2.274 -9.349 -20.660 1.00 35.25 C ATOM 408 HE1 TRP A 42 4.207 -12.584 -22.495 1.00 0.00 H ATOM 409 H TRP A 42 0.283 -13.125 -24.847 1.00 0.00 H ATOM 410 N LYS A 43 -2.672 -12.194 -22.430 1.00 19.88 N ATOM 411 CA LYS A 43 -3.336 -10.883 -22.289 1.00 23.29 C ATOM 412 C LYS A 43 -3.115 -10.386 -20.858 1.00 21.93 C ATOM 413 O LYS A 43 -3.173 -11.144 -19.872 1.00 19.33 O ATOM 414 CB LYS A 43 -4.885 -10.943 -22.543 1.00 25.90 C ATOM 415 CG LYS A 43 -5.323 -11.355 -23.944 1.00 31.94 C ATOM 416 CD LYS A 43 -4.935 -10.343 -24.968 1.00 40.14 C ATOM 417 CE LYS A 43 -6.109 -9.462 -25.450 1.00 42.19 C ATOM 418 NZ LYS A 43 -5.640 -8.365 -26.378 1.00 45.20 N ATOM 419 HZ1 LYS A 43 -4.958 -7.759 -25.879 1.00 0.00 H ATOM 420 HZ2 LYS A 43 -5.184 -8.789 -27.211 1.00 0.00 H ATOM 421 HZ3 LYS A 43 -6.456 -7.795 -26.680 1.00 0.00 H ATOM 422 H LYS A 43 -3.000 -12.994 -21.852 1.00 0.00 H ATOM 423 N PRO A 44 -3.008 -9.081 -20.683 1.00 25.04 N ATOM 424 CA PRO A 44 -2.858 -8.511 -19.349 1.00 25.94 C ATOM 425 C PRO A 44 -4.211 -8.581 -18.614 1.00 26.50 C ATOM 426 O PRO A 44 -5.282 -8.454 -19.282 1.00 27.51 O ATOM 427 CB PRO A 44 -2.535 -7.049 -19.661 1.00 28.91 C ATOM 428 CG PRO A 44 -3.187 -6.894 -21.087 1.00 30.17 C ATOM 429 CD PRO A 44 -2.913 -8.073 -21.759 1.00 27.92 C ATOM 430 N LYS A 45 -4.133 -8.857 -17.312 1.00 23.73 N ATOM 431 CA LYS A 45 -5.303 -8.789 -16.398 1.00 24.13 C ATOM 432 C LYS A 45 -4.889 -8.411 -14.987 1.00 23.18 C ATOM 433 O LYS A 45 -3.728 -8.523 -14.548 1.00 24.18 O ATOM 434 CB LYS A 45 -5.918 -10.187 -16.391 1.00 25.53 C ATOM 435 CG LYS A 45 -6.792 -10.472 -17.587 1.00 31.44 C ATOM 436 CD LYS A 45 -7.998 -11.315 -17.043 1.00 39.45 C ATOM 437 CE LYS A 45 -9.341 -11.042 -17.739 1.00 43.14 C ATOM 438 NZ LYS A 45 -9.390 -11.917 -18.902 1.00 45.74 N ATOM 439 HZ1 LYS A 45 -8.593 -11.698 -19.533 1.00 0.00 H ATOM 440 HZ2 LYS A 45 -9.326 -12.908 -18.592 1.00 0.00 H ATOM 441 HZ3 LYS A 45 -10.286 -11.768 -19.409 1.00 0.00 H ATOM 442 H LYS A 45 -3.211 -9.133 -16.918 1.00 0.00 H ATOM 443 N MET A 46 -5.851 -7.942 -14.164 1.00 23.38 N ATOM 444 CA MET A 46 -5.664 -7.745 -12.705 1.00 22.97 C ATOM 445 C MET A 46 -6.677 -8.650 -12.023 1.00 21.29 C ATOM 446 O MET A 46 -7.763 -8.877 -12.621 1.00 25.54 O ATOM 447 CB MET A 46 -6.127 -6.381 -12.271 1.00 25.78 C ATOM 448 CG MET A 46 -6.233 -5.416 -13.387 1.00 30.43 C ATOM 449 SD MET A 46 -4.513 -5.015 -13.392 1.00 34.93 S ATOM 450 CE MET A 46 -4.347 -3.859 -11.991 1.00 12.99 C ATOM 451 H MET A 46 -6.776 -7.705 -14.576 1.00 0.00 H ATOM 452 N VAL A 47 -6.429 -8.997 -10.743 1.00 18.74 N ATOM 453 CA VAL A 47 -7.376 -9.653 -9.811 1.00 17.08 C ATOM 454 C VAL A 47 -7.343 -9.090 -8.409 1.00 15.45 C ATOM 455 O VAL A 47 -6.278 -8.724 -7.869 1.00 14.56 O ATOM 456 CB VAL A 47 -6.995 -11.139 -9.702 1.00 17.73 C ATOM 457 CG1 VAL A 47 -7.533 -11.851 -10.845 1.00 19.62 C ATOM 458 CG2 VAL A 47 -5.432 -11.251 -9.894 1.00 20.34 C ATOM 459 H VAL A 47 -5.480 -8.783 -10.374 1.00 0.00 H ATOM 460 N GLY A 48 -8.534 -9.030 -7.817 1.00 14.52 N ATOM 461 CA GLY A 48 -8.751 -8.323 -6.600 1.00 15.31 C ATOM 462 C GLY A 48 -8.837 -9.355 -5.537 1.00 14.72 C ATOM 463 O GLY A 48 -9.677 -10.254 -5.557 1.00 14.91 O ATOM 464 H GLY A 48 -9.338 -9.519 -8.261 1.00 0.00 H ATOM 465 N GLY A 49 -7.986 -9.216 -4.579 1.00 16.93 N ATOM 466 CA GLY A 49 -8.022 -10.192 -3.705 1.00 16.27 C ATOM 467 C GLY A 49 -8.734 -9.382 -2.699 1.00 16.39 C ATOM 468 O GLY A 49 -9.394 -8.305 -2.963 1.00 14.56 O ATOM 469 H GLY A 49 -7.335 -8.409 -4.507 1.00 0.00 H ATOM 470 N ILE A 50 -8.484 -9.842 -1.495 1.00 16.27 N ATOM 471 CA ILE A 50 -8.999 -9.275 -0.324 1.00 17.99 C ATOM 472 C ILE A 50 -8.281 -7.902 -0.175 1.00 18.87 C ATOM 473 O ILE A 50 -8.891 -7.057 0.435 1.00 22.32 O ATOM 474 CB ILE A 50 -8.769 -10.228 0.880 1.00 16.07 C ATOM 475 CG1 ILE A 50 -9.648 -9.855 2.092 1.00 16.65 C ATOM 476 CG2 ILE A 50 -7.312 -10.239 1.233 1.00 16.01 C ATOM 477 CD1 ILE A 50 -9.598 -10.972 3.120 1.00 17.38 C ATOM 478 H ILE A 50 -7.868 -10.675 -1.407 1.00 0.00 H ATOM 479 N GLY A 51 -7.045 -7.763 -0.778 1.00 21.01 N ATOM 480 CA GLY A 51 -6.012 -6.701 -0.643 1.00 22.99 C ATOM 481 C GLY A 51 -6.085 -5.610 -1.670 1.00 22.18 C ATOM 482 O GLY A 51 -5.573 -4.480 -1.495 1.00 24.57 O ATOM 483 H GLY A 51 -6.796 -8.529 -1.436 1.00 0.00 H ATOM 484 N GLY A 52 -6.812 -5.880 -2.757 1.00 22.08 N ATOM 485 CA GLY A 52 -6.833 -4.952 -3.869 1.00 22.14 C ATOM 486 C GLY A 52 -6.489 -5.787 -5.058 1.00 21.27 C ATOM 487 O GLY A 52 -7.107 -6.799 -5.329 1.00 23.73 O ATOM 488 H GLY A 52 -7.365 -6.759 -2.805 1.00 0.00 H ATOM 489 N PHE A 53 -5.486 -5.375 -5.798 1.00 22.80 N ATOM 490 CA PHE A 53 -5.204 -6.145 -6.956 1.00 21.93 C ATOM 491 C PHE A 53 -3.702 -6.730 -7.132 1.00 23.93 C ATOM 492 O PHE A 53 -2.750 -6.123 -6.656 1.00 26.29 O ATOM 493 CB PHE A 53 -5.804 -5.351 -8.124 1.00 23.27 C ATOM 494 CG PHE A 53 -7.393 -5.355 -8.205 1.00 22.30 C ATOM 495 CD1 PHE A 53 -8.204 -4.704 -7.245 1.00 24.75 C ATOM 496 CD2 PHE A 53 -8.069 -6.037 -9.247 1.00 24.60 C ATOM 497 CE1 PHE A 53 -9.628 -4.729 -7.347 1.00 17.90 C ATOM 498 CE2 PHE A 53 -9.497 -6.092 -9.345 1.00 22.43 C ATOM 499 CZ PHE A 53 -10.274 -5.440 -8.346 1.00 22.57 C ATOM 500 H PHE A 53 -4.930 -4.532 -5.550 1.00 0.00 H ATOM 501 N LEU A 54 -3.564 -7.955 -7.674 1.00 22.48 N ATOM 502 CA LEU A 54 -2.370 -8.622 -8.167 1.00 22.69 C ATOM 503 C LEU A 54 -2.411 -8.458 -9.693 1.00 22.65 C ATOM 504 O LEU A 54 -3.471 -8.743 -10.341 1.00 25.25 O ATOM 505 CB LEU A 54 -2.499 -10.148 -7.826 1.00 25.63 C ATOM 506 CG LEU A 54 -1.398 -11.141 -8.294 1.00 24.35 C ATOM 507 CD1 LEU A 54 -0.142 -10.898 -7.457 1.00 28.75 C ATOM 508 CD2 LEU A 54 -1.897 -12.570 -8.150 1.00 24.13 C ATOM 509 H LEU A 54 -4.443 -8.506 -7.751 1.00 0.00 H ATOM 510 N LYS A 55 -1.303 -8.021 -10.281 1.00 22.89 N ATOM 511 CA LYS A 55 -1.091 -8.029 -11.747 1.00 23.09 C ATOM 512 C LYS A 55 -0.744 -9.418 -12.225 1.00 20.45 C ATOM 513 O LYS A 55 0.141 -10.058 -11.645 1.00 21.24 O ATOM 514 CB LYS A 55 0.062 -7.085 -12.136 1.00 23.81 C ATOM 515 CG LYS A 55 -0.403 -5.607 -12.175 1.00 28.29 C ATOM 516 CD LYS A 55 0.105 -4.844 -10.950 1.00 31.94 C ATOM 517 CE LYS A 55 -0.404 -3.432 -10.951 1.00 32.94 C ATOM 518 NZ LYS A 55 0.296 -2.523 -9.993 1.00 36.36 N ATOM 519 HZ1 LYS A 55 0.182 -2.887 -9.025 1.00 0.00 H ATOM 520 HZ2 LYS A 55 1.307 -2.482 -10.232 1.00 0.00 H ATOM 521 HZ3 LYS A 55 -0.116 -1.570 -10.057 1.00 0.00 H ATOM 522 H LYS A 55 -0.541 -7.652 -9.677 1.00 0.00 H ATOM 523 N VAL A 56 -1.454 -9.884 -13.245 1.00 20.75 N ATOM 524 CA VAL A 56 -1.203 -11.200 -13.854 1.00 18.84 C ATOM 525 C VAL A 56 -1.136 -11.173 -15.418 1.00 19.32 C ATOM 526 O VAL A 56 -1.640 -10.232 -16.099 1.00 19.89 O ATOM 527 CB VAL A 56 -2.261 -12.233 -13.421 1.00 19.82 C ATOM 528 CG1 VAL A 56 -2.307 -12.400 -11.827 1.00 18.63 C ATOM 529 CG2 VAL A 56 -3.585 -11.839 -13.961 1.00 16.30 C ATOM 530 H VAL A 56 -2.220 -9.295 -13.630 1.00 0.00 H ATOM 531 N ARG A 57 -0.582 -12.235 -15.978 1.00 15.27 N ATOM 532 CA ARG A 57 -0.765 -12.579 -17.380 1.00 15.56 C ATOM 533 C ARG A 57 -1.810 -13.646 -17.517 1.00 12.81 C ATOM 534 O ARG A 57 -1.787 -14.643 -16.745 1.00 15.61 O ATOM 535 CB ARG A 57 0.539 -13.164 -17.923 1.00 15.64 C ATOM 536 CG ARG A 57 1.714 -12.211 -17.898 1.00 19.63 C ATOM 537 CD ARG A 57 2.865 -12.959 -18.575 1.00 22.12 C ATOM 538 NE ARG A 57 4.038 -12.153 -18.658 1.00 27.87 N ATOM 539 CZ ARG A 57 5.147 -12.581 -19.251 1.00 30.17 C ATOM 540 NH1 ARG A 57 5.150 -13.797 -19.850 1.00 31.47 N ATOM 541 NH2 ARG A 57 6.181 -11.764 -19.314 1.00 36.24 N ATOM 542 HE ARG A 57 4.025 -11.200 -18.241 1.00 0.00 H ATOM 543 HH12 ARG A 57 6.012 -14.144 -20.318 1.00 0.00 H ATOM 544 HH11 ARG A 57 4.291 -14.383 -19.842 1.00 0.00 H ATOM 545 HH22 ARG A 57 7.061 -12.074 -19.773 1.00 0.00 H ATOM 546 HH21 ARG A 57 6.116 -10.810 -18.905 1.00 0.00 H ATOM 547 H ARG A 57 0.012 -12.853 -15.389 1.00 0.00 H ATOM 548 N GLU A 58 -2.689 -13.504 -18.467 1.00 12.86 N ATOM 549 CA GLU A 58 -3.725 -14.483 -18.714 1.00 12.34 C ATOM 550 C GLU A 58 -3.369 -15.353 -19.913 1.00 12.61 C ATOM 551 O GLU A 58 -3.236 -14.811 -21.044 1.00 14.79 O ATOM 552 CB GLU A 58 -5.107 -13.822 -18.944 1.00 15.69 C ATOM 553 CG GLU A 58 -6.144 -14.934 -19.161 1.00 17.80 C ATOM 554 CD GLU A 58 -7.643 -14.640 -19.211 1.00 24.89 C ATOM 555 OE1 GLU A 58 -8.331 -14.669 -18.143 1.00 33.53 O ATOM 556 OE2 GLU A 58 -8.183 -14.625 -20.281 1.00 27.08 O ATOM 557 H GLU A 58 -2.645 -12.657 -19.069 1.00 0.00 H ATOM 558 N TYR A 59 -3.246 -16.659 -19.715 1.00 13.12 N ATOM 559 CA TYR A 59 -3.040 -17.644 -20.765 1.00 14.16 C ATOM 560 C TYR A 59 -4.256 -18.485 -20.978 1.00 14.51 C ATOM 561 O TYR A 59 -4.811 -19.004 -20.032 1.00 14.48 O ATOM 562 CB TYR A 59 -1.889 -18.550 -20.382 1.00 14.58 C ATOM 563 CG TYR A 59 -0.552 -17.870 -20.435 1.00 12.37 C ATOM 564 CD1 TYR A 59 -0.071 -17.171 -19.317 1.00 14.47 C ATOM 565 CD2 TYR A 59 0.225 -17.901 -21.632 1.00 14.21 C ATOM 566 CE1 TYR A 59 1.185 -16.537 -19.327 1.00 15.60 C ATOM 567 CE2 TYR A 59 1.431 -17.317 -21.681 1.00 14.78 C ATOM 568 CZ TYR A 59 1.975 -16.658 -20.547 1.00 15.19 C ATOM 569 OH TYR A 59 3.211 -16.077 -20.623 1.00 17.21 O ATOM 570 HH TYR A 59 3.885 -16.766 -20.847 1.00 0.00 H ATOM 571 H TYR A 59 -3.301 -17.004 -18.736 1.00 0.00 H ATOM 572 N ASP A 60 -4.724 -18.589 -22.216 1.00 18.50 N ATOM 573 CA ASP A 60 -5.901 -19.377 -22.516 1.00 21.66 C ATOM 574 C ASP A 60 -5.485 -20.805 -23.003 1.00 22.07 C ATOM 575 O ASP A 60 -4.385 -21.031 -23.579 1.00 24.20 O ATOM 576 CB ASP A 60 -6.791 -18.701 -23.605 1.00 25.00 C ATOM 577 CG ASP A 60 -7.427 -17.453 -23.127 1.00 28.06 C ATOM 578 OD1 ASP A 60 -7.874 -16.706 -24.017 1.00 37.76 O ATOM 579 OD2 ASP A 60 -7.580 -17.239 -21.883 1.00 32.37 O ATOM 580 H ASP A 60 -4.234 -18.093 -22.988 1.00 0.00 H ATOM 581 N GLN A 61 -6.402 -21.745 -22.876 1.00 24.59 N ATOM 582 CA GLN A 61 -6.082 -23.097 -23.413 1.00 25.30 C ATOM 583 C GLN A 61 -4.781 -23.762 -22.915 1.00 26.00 C ATOM 584 O GLN A 61 -4.044 -24.382 -23.702 1.00 28.60 O ATOM 585 CB GLN A 61 -6.108 -23.131 -24.969 1.00 29.16 C ATOM 586 CG GLN A 61 -7.486 -22.919 -25.489 1.00 31.58 C ATOM 587 CD GLN A 61 -7.548 -22.148 -26.813 1.00 42.62 C ATOM 588 OE1 GLN A 61 -8.591 -22.144 -27.454 1.00 45.06 O ATOM 589 NE2 GLN A 61 -6.457 -21.467 -27.204 1.00 44.47 N ATOM 590 HE22 GLN A 61 -5.591 -21.498 -26.629 1.00 0.00 H ATOM 591 HE21 GLN A 61 -6.479 -20.909 -28.081 1.00 0.00 H ATOM 592 H GLN A 61 -7.315 -21.549 -22.418 1.00 0.00 H ATOM 593 N VAL A 62 -4.569 -23.776 -21.609 1.00 19.10 N ATOM 594 CA VAL A 62 -3.359 -24.319 -20.996 1.00 18.22 C ATOM 595 C VAL A 62 -3.721 -25.703 -20.419 1.00 16.19 C ATOM 596 O VAL A 62 -4.751 -25.847 -19.752 1.00 17.46 O ATOM 597 CB VAL A 62 -2.975 -23.460 -19.781 1.00 16.12 C ATOM 598 CG1 VAL A 62 -1.742 -24.023 -18.948 1.00 17.79 C ATOM 599 CG2 VAL A 62 -2.671 -22.009 -20.187 1.00 17.48 C ATOM 600 H VAL A 62 -5.302 -23.380 -20.986 1.00 0.00 H ATOM 601 N PRO A 63 -2.756 -26.691 -20.567 1.00 14.68 N ATOM 602 CA PRO A 63 -3.032 -27.996 -19.951 1.00 14.74 C ATOM 603 C PRO A 63 -2.920 -27.943 -18.462 1.00 13.26 C ATOM 604 O PRO A 63 -1.939 -27.361 -17.907 1.00 14.49 O ATOM 605 CB PRO A 63 -1.977 -28.952 -20.574 1.00 14.71 C ATOM 606 CG PRO A 63 -0.946 -28.115 -21.158 1.00 16.04 C ATOM 607 CD PRO A 63 -1.438 -26.686 -21.278 1.00 12.84 C ATOM 608 N ILE A 64 -3.883 -28.618 -17.824 1.00 14.00 N ATOM 609 CA ILE A 64 -3.833 -28.805 -16.353 1.00 13.81 C ATOM 610 C ILE A 64 -4.233 -30.197 -16.063 1.00 15.34 C ATOM 611 O ILE A 64 -5.298 -30.636 -16.486 1.00 17.19 O ATOM 612 CB ILE A 64 -4.783 -27.861 -15.608 1.00 16.59 C ATOM 613 CG1 ILE A 64 -4.621 -26.419 -16.050 1.00 19.07 C ATOM 614 CG2 ILE A 64 -4.631 -28.097 -14.110 1.00 19.15 C ATOM 615 CD1 ILE A 64 -5.818 -25.546 -15.761 1.00 21.31 C ATOM 616 H ILE A 64 -4.676 -29.016 -18.366 1.00 0.00 H ATOM 617 N GLU A 65 -3.363 -30.903 -15.409 1.00 15.64 N ATOM 618 CA GLU A 65 -3.660 -32.255 -14.900 1.00 17.59 C ATOM 619 C GLU A 65 -3.925 -32.196 -13.456 1.00 17.55 C ATOM 620 O GLU A 65 -3.101 -31.707 -12.656 1.00 17.39 O ATOM 621 CB GLU A 65 -2.486 -33.210 -15.148 1.00 19.15 C ATOM 622 CG GLU A 65 -2.138 -33.281 -16.592 1.00 22.61 C ATOM 623 CD GLU A 65 -1.095 -34.314 -16.889 1.00 28.47 C ATOM 624 OE1 GLU A 65 -0.641 -34.975 -15.906 1.00 29.22 O ATOM 625 OE2 GLU A 65 -0.656 -34.401 -18.068 1.00 35.12 O ATOM 626 H GLU A 65 -2.420 -30.500 -15.237 1.00 0.00 H ATOM 627 N ILE A 66 -5.128 -32.597 -13.100 1.00 18.24 N ATOM 628 CA ILE A 66 -5.622 -32.409 -11.736 1.00 18.63 C ATOM 629 C ILE A 66 -6.632 -33.539 -11.403 1.00 20.01 C ATOM 630 O ILE A 66 -7.544 -33.832 -12.160 1.00 21.12 O ATOM 631 CB ILE A 66 -6.287 -31.022 -11.564 1.00 17.01 C ATOM 632 CG1 ILE A 66 -6.852 -30.874 -10.171 1.00 19.45 C ATOM 633 CG2 ILE A 66 -7.413 -30.737 -12.692 1.00 20.62 C ATOM 634 CD1 ILE A 66 -7.359 -29.494 -9.788 1.00 19.53 C ATOM 635 H ILE A 66 -5.740 -33.057 -13.804 1.00 0.00 H ATOM 636 N CYS A 67 -6.369 -34.192 -10.301 1.00 21.10 N ATOM 637 CA CYS A 67 -7.280 -35.205 -9.717 1.00 23.81 C ATOM 638 C CYS A 67 -7.614 -36.291 -10.739 1.00 24.53 C ATOM 639 O CYS A 67 -8.758 -36.836 -10.808 1.00 24.89 O ATOM 640 CB CYS A 67 -8.577 -34.527 -9.155 1.00 25.02 C ATOM 641 H CYS A 67 -5.475 -33.990 -9.809 1.00 0.00 H ATOM 642 N GLY A 68 -6.614 -36.690 -11.505 1.00 25.72 N ATOM 643 CA GLY A 68 -6.776 -37.803 -12.478 1.00 25.11 C ATOM 644 C GLY A 68 -7.478 -37.343 -13.763 1.00 25.40 C ATOM 645 O GLY A 68 -7.862 -38.201 -14.639 1.00 28.18 O ATOM 646 H GLY A 68 -5.692 -36.215 -11.426 1.00 0.00 H ATOM 647 N HIS A 69 -7.679 -36.019 -13.909 1.00 23.38 N ATOM 648 CA HIS A 69 -8.341 -35.510 -15.057 1.00 24.81 C ATOM 649 C HIS A 69 -7.336 -34.637 -15.770 1.00 23.54 C ATOM 650 O HIS A 69 -6.389 -34.138 -15.192 1.00 25.04 O ATOM 651 CB HIS A 69 -9.516 -34.593 -14.712 1.00 24.35 C ATOM 652 CG HIS A 69 -10.662 -35.258 -14.036 1.00 28.49 C ATOM 653 ND1 HIS A 69 -11.871 -35.513 -14.665 1.00 38.18 N ATOM 654 CD2 HIS A 69 -10.831 -35.597 -12.744 1.00 28.68 C ATOM 655 CE1 HIS A 69 -12.696 -36.069 -13.788 1.00 38.30 C ATOM 656 NE2 HIS A 69 -12.079 -36.134 -12.619 1.00 34.33 N ATOM 657 H HIS A 69 -7.346 -35.363 -13.174 1.00 0.00 H ATOM 658 N LYS A 70 -7.517 -34.517 -17.049 1.00 26.26 N ATOM 659 CA LYS A 70 -6.743 -33.644 -17.860 1.00 26.91 C ATOM 660 C LYS A 70 -7.741 -32.660 -18.408 1.00 23.88 C ATOM 661 O LYS A 70 -8.771 -33.036 -19.062 1.00 26.82 O ATOM 662 CB LYS A 70 -6.021 -34.465 -18.940 1.00 29.60 C ATOM 663 CG LYS A 70 -5.096 -35.586 -18.373 1.00 35.87 C ATOM 664 CD LYS A 70 -4.548 -36.606 -19.460 1.00 41.49 C ATOM 665 CE LYS A 70 -5.641 -37.131 -20.501 1.00 41.42 C ATOM 666 NZ LYS A 70 -5.339 -38.492 -21.177 1.00 44.09 N ATOM 667 HZ1 LYS A 70 -4.446 -38.425 -21.705 1.00 0.00 H ATOM 668 HZ2 LYS A 70 -5.257 -39.229 -20.448 1.00 0.00 H ATOM 669 HZ3 LYS A 70 -6.112 -38.733 -21.830 1.00 0.00 H ATOM 670 H LYS A 70 -8.262 -35.085 -17.501 1.00 0.00 H ATOM 671 N VAL A 71 -7.534 -31.404 -18.108 1.00 20.66 N ATOM 672 CA VAL A 71 -8.445 -30.416 -18.599 1.00 22.42 C ATOM 673 C VAL A 71 -7.578 -29.348 -19.306 1.00 20.30 C ATOM 674 O VAL A 71 -6.321 -29.402 -19.233 1.00 20.95 O ATOM 675 CB VAL A 71 -9.380 -29.858 -17.575 1.00 24.65 C ATOM 676 CG1 VAL A 71 -10.234 -30.983 -16.907 1.00 26.19 C ATOM 677 CG2 VAL A 71 -8.639 -29.116 -16.578 1.00 22.91 C ATOM 678 H VAL A 71 -6.720 -31.128 -17.522 1.00 0.00 H ATOM 679 N ILE A 72 -8.260 -28.502 -20.100 1.00 20.97 N ATOM 680 CA ILE A 72 -7.628 -27.394 -20.758 1.00 19.48 C ATOM 681 C ILE A 72 -8.375 -26.182 -20.160 1.00 22.52 C ATOM 682 O ILE A 72 -9.604 -26.146 -20.110 1.00 24.01 O ATOM 683 CB ILE A 72 -7.756 -27.456 -22.333 1.00 21.58 C ATOM 684 CG1 ILE A 72 -7.075 -28.707 -22.883 1.00 23.01 C ATOM 685 CG2 ILE A 72 -7.110 -26.217 -22.917 1.00 18.87 C ATOM 686 CD1 ILE A 72 -5.589 -28.789 -22.562 1.00 21.58 C ATOM 687 H ILE A 72 -9.279 -28.656 -20.241 1.00 0.00 H ATOM 688 N GLY A 73 -7.657 -25.173 -19.734 1.00 20.93 N ATOM 689 CA GLY A 73 -8.353 -24.014 -19.160 1.00 21.65 C ATOM 690 C GLY A 73 -7.521 -22.790 -19.212 1.00 16.31 C ATOM 691 O GLY A 73 -6.389 -22.834 -19.671 1.00 18.25 O ATOM 692 H GLY A 73 -6.619 -25.192 -19.801 1.00 0.00 H ATOM 693 N THR A 74 -8.076 -21.706 -18.665 1.00 17.60 N ATOM 694 CA THR A 74 -7.386 -20.452 -18.547 1.00 17.29 C ATOM 695 C THR A 74 -6.581 -20.465 -17.262 1.00 14.71 C ATOM 696 O THR A 74 -7.086 -20.896 -16.192 1.00 16.18 O ATOM 697 CB THR A 74 -8.340 -19.281 -18.523 1.00 19.21 C ATOM 698 OG1 THR A 74 -8.981 -19.173 -19.791 1.00 25.80 O ATOM 699 CG2 THR A 74 -7.696 -17.969 -18.280 1.00 21.50 C ATOM 700 HG1 THR A 74 -8.298 -19.032 -20.494 1.00 0.00 H ATOM 701 H THR A 74 -9.051 -21.773 -18.309 1.00 0.00 H ATOM 702 N VAL A 75 -5.340 -19.986 -17.369 1.00 11.93 N ATOM 703 CA VAL A 75 -4.451 -19.873 -16.207 1.00 11.68 C ATOM 704 C VAL A 75 -3.951 -18.478 -16.124 1.00 10.27 C ATOM 705 O VAL A 75 -3.445 -17.949 -17.125 1.00 12.11 O ATOM 706 CB VAL A 75 -3.325 -20.925 -16.269 1.00 12.49 C ATOM 707 CG1 VAL A 75 -2.337 -20.714 -15.123 1.00 15.33 C ATOM 708 CG2 VAL A 75 -3.912 -22.332 -16.232 1.00 15.82 C ATOM 709 H VAL A 75 -4.993 -19.684 -18.302 1.00 0.00 H ATOM 710 N LEU A 76 -4.070 -17.866 -14.947 1.00 10.61 N ATOM 711 CA LEU A 76 -3.399 -16.606 -14.718 1.00 10.22 C ATOM 712 C LEU A 76 -2.051 -16.815 -14.054 1.00 10.79 C ATOM 713 O LEU A 76 -1.905 -17.717 -13.214 1.00 11.71 O ATOM 714 CB LEU A 76 -4.235 -15.747 -13.754 1.00 11.62 C ATOM 715 CG LEU A 76 -5.694 -15.549 -14.215 1.00 11.83 C ATOM 716 CD1 LEU A 76 -6.459 -14.718 -13.208 1.00 13.96 C ATOM 717 CD2 LEU A 76 -5.733 -14.964 -15.620 1.00 17.55 C ATOM 718 H LEU A 76 -4.645 -18.294 -14.193 1.00 0.00 H ATOM 719 N VAL A 77 -1.032 -16.050 -14.456 1.00 11.40 N ATOM 720 CA VAL A 77 0.304 -16.201 -13.903 1.00 11.74 C ATOM 721 C VAL A 77 0.700 -14.870 -13.264 1.00 12.98 C ATOM 722 O VAL A 77 0.694 -13.810 -13.939 1.00 14.23 O ATOM 723 CB VAL A 77 1.343 -16.578 -14.979 1.00 12.18 C ATOM 724 CG1 VAL A 77 2.710 -16.668 -14.302 1.00 15.36 C ATOM 725 CG2 VAL A 77 0.932 -17.909 -15.606 1.00 14.17 C ATOM 726 H VAL A 77 -1.199 -15.327 -15.184 1.00 0.00 H ATOM 727 N GLY A 78 1.042 -14.913 -11.984 1.00 13.99 N ATOM 728 CA GLY A 78 1.501 -13.688 -11.269 1.00 16.62 C ATOM 729 C GLY A 78 1.846 -14.059 -9.847 1.00 18.52 C ATOM 730 O GLY A 78 1.634 -15.214 -9.416 1.00 17.66 O ATOM 731 H GLY A 78 0.989 -15.816 -11.470 1.00 0.00 H ATOM 732 N PRO A 79 2.348 -13.101 -9.086 1.00 20.11 N ATOM 733 CA PRO A 79 3.052 -13.387 -7.773 1.00 19.62 C ATOM 734 C PRO A 79 2.127 -13.639 -6.564 1.00 19.05 C ATOM 735 O PRO A 79 2.258 -13.002 -5.502 1.00 22.07 O ATOM 736 CB PRO A 79 3.992 -12.172 -7.610 1.00 21.91 C ATOM 737 CG PRO A 79 3.177 -11.008 -8.311 1.00 21.68 C ATOM 738 CD PRO A 79 2.576 -11.716 -9.556 1.00 21.18 C ATOM 739 N THR A 80 1.130 -14.506 -6.724 1.00 18.01 N ATOM 740 CA THR A 80 0.193 -14.864 -5.687 1.00 16.92 C ATOM 741 C THR A 80 0.947 -15.585 -4.561 1.00 18.20 C ATOM 742 O THR A 80 1.911 -16.283 -4.830 1.00 19.17 O ATOM 743 CB THR A 80 -0.906 -15.824 -6.277 1.00 15.14 C ATOM 744 OG1 THR A 80 -1.730 -16.244 -5.170 1.00 17.39 O ATOM 745 CG2 THR A 80 -0.328 -17.042 -6.998 1.00 15.09 C ATOM 746 HG1 THR A 80 -2.438 -16.853 -5.499 1.00 0.00 H ATOM 747 H THR A 80 1.019 -14.954 -7.656 1.00 0.00 H ATOM 748 N PRO A 81 0.494 -15.426 -3.289 1.00 20.01 N ATOM 749 CA PRO A 81 1.285 -16.088 -2.235 1.00 19.66 C ATOM 750 C PRO A 81 1.138 -17.592 -2.197 1.00 17.26 C ATOM 751 O PRO A 81 1.986 -18.264 -1.644 1.00 18.34 O ATOM 752 CB PRO A 81 0.687 -15.507 -0.944 1.00 23.16 C ATOM 753 CG PRO A 81 0.064 -14.362 -1.343 1.00 25.25 C ATOM 754 CD PRO A 81 -0.497 -14.538 -2.713 1.00 23.07 C ATOM 755 N VAL A 82 0.042 -18.089 -2.788 1.00 14.90 N ATOM 756 CA VAL A 82 -0.306 -19.502 -2.760 1.00 13.80 C ATOM 757 C VAL A 82 -1.022 -19.769 -4.123 1.00 11.88 C ATOM 758 O VAL A 82 -1.939 -19.031 -4.543 1.00 11.09 O ATOM 759 CB VAL A 82 -1.327 -19.769 -1.607 1.00 15.42 C ATOM 760 CG1 VAL A 82 -2.510 -19.012 -1.943 1.00 19.40 C ATOM 761 CG2 VAL A 82 -1.726 -21.214 -1.533 1.00 17.29 C ATOM 762 H VAL A 82 -0.590 -17.433 -3.291 1.00 0.00 H ATOM 763 N ASN A 83 -0.597 -20.815 -4.815 1.00 10.84 N ATOM 764 CA ASN A 83 -1.270 -21.138 -6.084 1.00 10.29 C ATOM 765 C ASN A 83 -2.715 -21.548 -5.789 1.00 10.02 C ATOM 766 O ASN A 83 -2.948 -22.240 -4.757 1.00 10.72 O ATOM 767 CB ASN A 83 -0.544 -22.280 -6.810 1.00 10.78 C ATOM 768 CG ASN A 83 0.885 -21.902 -7.065 1.00 10.86 C ATOM 769 OD1 ASN A 83 1.191 -20.742 -7.418 1.00 13.23 O ATOM 770 ND2 ASN A 83 1.789 -22.872 -6.948 1.00 13.96 N ATOM 771 HD22 ASN A 83 1.494 -23.824 -6.652 1.00 0.00 H ATOM 772 HD21 ASN A 83 2.790 -22.678 -7.153 1.00 0.00 H ATOM 773 H ASN A 83 0.194 -21.395 -4.470 1.00 0.00 H ATOM 774 N VAL A 84 -3.667 -21.089 -6.589 1.00 9.60 N ATOM 775 CA VAL A 84 -5.025 -21.550 -6.363 1.00 9.11 C ATOM 776 C VAL A 84 -5.611 -22.184 -7.622 1.00 8.07 C ATOM 777 O VAL A 84 -5.319 -21.773 -8.766 1.00 8.09 O ATOM 778 CB VAL A 84 -6.000 -20.450 -5.812 1.00 8.80 C ATOM 779 CG1 VAL A 84 -5.542 -19.942 -4.462 1.00 9.93 C ATOM 780 CG2 VAL A 84 -6.027 -19.285 -6.789 1.00 9.43 C ATOM 781 H VAL A 84 -3.448 -20.420 -7.354 1.00 0.00 H ATOM 782 N ILE A 85 -6.474 -23.126 -7.344 1.00 10.11 N ATOM 783 CA ILE A 85 -7.375 -23.732 -8.341 1.00 10.54 C ATOM 784 C ILE A 85 -8.721 -23.109 -8.126 1.00 10.24 C ATOM 785 O ILE A 85 -9.350 -23.326 -7.064 1.00 12.69 O ATOM 786 CB ILE A 85 -7.467 -25.256 -8.244 1.00 11.68 C ATOM 787 CG1 ILE A 85 -6.069 -25.903 -8.216 1.00 12.95 C ATOM 788 CG2 ILE A 85 -8.386 -25.823 -9.289 1.00 13.19 C ATOM 789 CD1 ILE A 85 -5.210 -25.539 -9.441 1.00 15.30 C ATOM 790 H ILE A 85 -6.528 -23.467 -6.363 1.00 0.00 H ATOM 791 N GLY A 86 -9.210 -22.340 -9.096 1.00 11.38 N ATOM 792 CA GLY A 86 -10.514 -21.697 -8.902 1.00 11.10 C ATOM 793 C GLY A 86 -11.644 -22.440 -9.535 1.00 9.89 C ATOM 794 O GLY A 86 -11.477 -23.560 -10.042 1.00 10.58 O ATOM 795 H GLY A 86 -8.676 -22.197 -9.977 1.00 0.00 H ATOM 796 N ARG A 87 -12.813 -21.817 -9.505 1.00 10.91 N ATOM 797 CA ARG A 87 -14.021 -22.467 -9.979 1.00 10.76 C ATOM 798 C ARG A 87 -13.970 -22.752 -11.485 1.00 11.97 C ATOM 799 O ARG A 87 -14.628 -23.749 -11.917 1.00 12.47 O ATOM 800 CB ARG A 87 -15.252 -21.629 -9.633 1.00 11.43 C ATOM 801 CG ARG A 87 -15.535 -21.537 -8.162 1.00 11.78 C ATOM 802 CD ARG A 87 -16.836 -20.848 -7.808 1.00 11.12 C ATOM 803 NE ARG A 87 -16.890 -19.492 -8.334 1.00 13.58 N ATOM 804 CZ ARG A 87 -17.420 -19.089 -9.504 1.00 13.47 C ATOM 805 NH1 ARG A 87 -18.187 -19.931 -10.248 1.00 13.58 N ATOM 806 NH2 ARG A 87 -17.284 -17.817 -9.851 1.00 14.86 N ATOM 807 HE ARG A 87 -16.471 -18.750 -7.738 1.00 0.00 H ATOM 808 HH12 ARG A 87 -18.590 -19.607 -11.150 1.00 0.00 H ATOM 809 HH11 ARG A 87 -18.370 -20.899 -9.915 1.00 0.00 H ATOM 810 HH22 ARG A 87 -17.683 -17.477 -10.749 1.00 0.00 H ATOM 811 HH21 ARG A 87 -16.778 -17.158 -9.225 1.00 0.00 H ATOM 812 H ARG A 87 -12.866 -20.846 -9.136 1.00 0.00 H ATOM 813 N ASP A 88 -13.261 -21.928 -12.247 1.00 11.57 N ATOM 814 CA ASP A 88 -13.136 -22.237 -13.683 1.00 15.05 C ATOM 815 C ASP A 88 -12.529 -23.607 -13.933 1.00 14.33 C ATOM 816 O ASP A 88 -12.905 -24.268 -14.851 1.00 20.73 O ATOM 817 CB ASP A 88 -12.361 -21.125 -14.338 1.00 17.26 C ATOM 818 CG ASP A 88 -10.955 -20.879 -13.754 1.00 19.47 C ATOM 819 OD1 ASP A 88 -10.574 -21.463 -12.705 1.00 19.36 O ATOM 820 OD2 ASP A 88 -10.210 -20.017 -14.314 1.00 28.78 O ATOM 821 H ASP A 88 -12.805 -21.086 -11.841 1.00 0.00 H ATOM 822 N THR A 89 -11.591 -24.057 -13.120 1.00 12.61 N ATOM 823 CA THR A 89 -11.014 -25.380 -13.282 1.00 12.39 C ATOM 824 C THR A 89 -11.870 -26.432 -12.544 1.00 11.65 C ATOM 825 O THR A 89 -12.088 -27.555 -13.050 1.00 13.38 O ATOM 826 CB THR A 89 -9.617 -25.422 -12.742 1.00 12.15 C ATOM 827 OG1 THR A 89 -8.810 -24.434 -13.379 1.00 13.94 O ATOM 828 CG2 THR A 89 -8.942 -26.747 -12.887 1.00 16.15 C ATOM 829 HG1 THR A 89 -9.195 -23.537 -13.212 1.00 0.00 H ATOM 830 H THR A 89 -11.257 -23.449 -12.345 1.00 0.00 H ATOM 831 N MET A 90 -12.352 -26.098 -11.332 1.00 10.27 N ATOM 832 CA MET A 90 -13.057 -27.097 -10.577 1.00 11.24 C ATOM 833 C MET A 90 -14.383 -27.529 -11.232 1.00 11.37 C ATOM 834 O MET A 90 -14.776 -28.698 -11.106 1.00 12.83 O ATOM 835 CB MET A 90 -13.340 -26.590 -9.172 1.00 13.66 C ATOM 836 CG MET A 90 -12.045 -26.545 -8.304 1.00 15.54 C ATOM 837 SD MET A 90 -12.311 -26.339 -6.566 1.00 16.81 S ATOM 838 CE MET A 90 -12.626 -24.689 -6.554 1.00 14.54 C ATOM 839 H MET A 90 -12.217 -25.140 -10.951 1.00 0.00 H ATOM 840 N THR A 91 -15.070 -26.625 -11.930 1.00 11.46 N ATOM 841 CA THR A 91 -16.295 -27.031 -12.629 1.00 12.93 C ATOM 842 C THR A 91 -15.966 -28.055 -13.720 1.00 14.89 C ATOM 843 O THR A 91 -16.832 -28.861 -14.062 1.00 16.46 O ATOM 844 CB THR A 91 -17.017 -25.785 -13.241 1.00 12.65 C ATOM 845 OG1 THR A 91 -16.119 -25.055 -14.077 1.00 15.33 O ATOM 846 CG2 THR A 91 -17.670 -24.934 -12.204 1.00 14.19 C ATOM 847 HG1 THR A 91 -15.345 -24.750 -13.541 1.00 0.00 H ATOM 848 H THR A 91 -14.741 -25.640 -11.979 1.00 0.00 H ATOM 849 N GLN A 92 -14.773 -27.988 -14.291 1.00 14.37 N ATOM 850 CA GLN A 92 -14.427 -28.903 -15.389 1.00 15.26 C ATOM 851 C GLN A 92 -14.177 -30.301 -14.884 1.00 17.79 C ATOM 852 O GLN A 92 -14.132 -31.264 -15.680 1.00 20.93 O ATOM 853 CB GLN A 92 -13.198 -28.439 -16.091 1.00 17.27 C ATOM 854 CG GLN A 92 -13.397 -27.132 -16.750 1.00 20.41 C ATOM 855 CD GLN A 92 -12.419 -26.900 -17.798 1.00 26.50 C ATOM 856 OE1 GLN A 92 -12.439 -27.614 -18.827 1.00 31.07 O ATOM 857 NE2 GLN A 92 -11.512 -25.937 -17.588 1.00 30.47 N ATOM 858 HE22 GLN A 92 -11.544 -25.374 -16.714 1.00 0.00 H ATOM 859 HE21 GLN A 92 -10.776 -25.752 -18.299 1.00 0.00 H ATOM 860 H GLN A 92 -14.079 -27.287 -13.962 1.00 0.00 H ATOM 861 N ILE A 93 -13.978 -30.465 -13.559 1.00 16.70 N ATOM 862 CA ILE A 93 -13.820 -31.805 -12.990 1.00 18.48 C ATOM 863 C ILE A 93 -15.034 -32.174 -12.109 1.00 17.33 C ATOM 864 O ILE A 93 -15.027 -33.201 -11.371 1.00 22.12 O ATOM 865 CB ILE A 93 -12.478 -31.945 -12.224 1.00 18.50 C ATOM 866 CG1 ILE A 93 -12.452 -31.064 -10.968 1.00 19.47 C ATOM 867 CG2 ILE A 93 -11.282 -31.709 -13.162 1.00 21.69 C ATOM 868 CD1 ILE A 93 -11.235 -31.365 -10.138 1.00 21.06 C ATOM 869 H ILE A 93 -13.937 -29.633 -12.937 1.00 0.00 H ATOM 870 N GLY A 94 -16.105 -31.391 -12.208 1.00 15.41 N ATOM 871 CA GLY A 94 -17.388 -31.685 -11.551 1.00 17.41 C ATOM 872 C GLY A 94 -17.267 -31.601 -10.037 1.00 15.74 C ATOM 873 O GLY A 94 -18.012 -32.312 -9.314 1.00 18.88 O ATOM 874 H GLY A 94 -16.031 -30.526 -12.780 1.00 0.00 H ATOM 875 N CYS A 95 -16.425 -30.746 -9.493 1.00 15.33 N ATOM 876 CA CYS A 95 -16.328 -30.669 -8.021 1.00 14.31 C ATOM 877 C CYS A 95 -17.605 -30.123 -7.376 1.00 15.03 C ATOM 878 O CYS A 95 -18.307 -29.254 -7.962 1.00 16.63 O ATOM 879 CB CYS A 95 -15.114 -29.754 -7.636 1.00 15.35 C ATOM 880 H CYS A 95 -15.836 -30.133 -10.092 1.00 0.00 H ATOM 881 N THR A 96 -17.898 -30.570 -6.154 1.00 13.83 N ATOM 882 CA THR A 96 -19.047 -30.105 -5.433 1.00 13.78 C ATOM 883 C THR A 96 -18.640 -29.843 -3.986 1.00 14.27 C ATOM 884 O THR A 96 -17.662 -30.420 -3.460 1.00 13.85 O ATOM 885 CB THR A 96 -20.231 -31.129 -5.422 1.00 15.43 C ATOM 886 OG1 THR A 96 -19.768 -32.401 -4.932 1.00 18.03 O ATOM 887 CG2 THR A 96 -20.846 -31.333 -6.843 1.00 19.15 C ATOM 888 HG1 THR A 96 -19.047 -32.738 -5.521 1.00 0.00 H ATOM 889 H THR A 96 -17.275 -31.276 -5.711 1.00 0.00 H ATOM 890 N LEU A 97 -19.390 -28.922 -3.376 1.00 13.23 N ATOM 891 CA LEU A 97 -19.360 -28.712 -1.908 1.00 13.10 C ATOM 892 C LEU A 97 -20.536 -29.420 -1.268 1.00 12.03 C ATOM 893 O LEU A 97 -21.656 -29.393 -1.751 1.00 12.31 O ATOM 894 CB LEU A 97 -19.471 -27.208 -1.570 1.00 13.23 C ATOM 895 CG LEU A 97 -18.144 -26.462 -1.483 1.00 12.69 C ATOM 896 CD1 LEU A 97 -18.386 -24.965 -1.526 1.00 12.01 C ATOM 897 CD2 LEU A 97 -17.213 -26.839 -0.291 1.00 13.97 C ATOM 898 H LEU A 97 -20.020 -28.329 -3.953 1.00 0.00 H ATOM 899 N ASN A 98 -20.285 -30.023 -0.121 1.00 14.65 N ATOM 900 CA ASN A 98 -21.369 -30.545 0.691 1.00 15.22 C ATOM 901 C ASN A 98 -21.326 -29.832 2.029 1.00 16.82 C ATOM 902 O ASN A 98 -20.256 -29.799 2.636 1.00 19.28 O ATOM 903 CB ASN A 98 -21.076 -32.053 0.957 1.00 18.64 C ATOM 904 CG ASN A 98 -20.901 -32.805 -0.292 1.00 23.88 C ATOM 905 OD1 ASN A 98 -21.797 -32.887 -1.098 1.00 23.95 O ATOM 906 ND2 ASN A 98 -19.679 -33.344 -0.494 1.00 34.48 N ATOM 907 HD22 ASN A 98 -18.941 -33.246 0.232 1.00 0.00 H ATOM 908 HD21 ASN A 98 -19.476 -33.857 -1.375 1.00 0.00 H ATOM 909 H ASN A 98 -19.302 -30.125 0.204 1.00 0.00 H ATOM 910 N PHE A 99 -22.463 -29.348 2.522 1.00 20.98 N ATOM 911 CA PHE A 99 -22.422 -28.611 3.817 1.00 23.50 C ATOM 912 C PHE A 99 -23.774 -28.679 4.417 1.00 26.66 C ATOM 913 O PHE A 99 -23.969 -28.017 5.464 1.00 29.79 O ATOM 914 CB PHE A 99 -21.986 -27.149 3.653 1.00 23.89 C ATOM 915 CG PHE A 99 -22.849 -26.348 2.742 1.00 23.16 C ATOM 916 CD1 PHE A 99 -22.726 -26.462 1.334 1.00 23.42 C ATOM 917 CD2 PHE A 99 -23.762 -25.463 3.257 1.00 25.16 C ATOM 918 CE1 PHE A 99 -23.567 -25.754 0.524 1.00 26.01 C ATOM 919 CE2 PHE A 99 -24.608 -24.683 2.435 1.00 24.49 C ATOM 920 CZ PHE A 99 -24.484 -24.800 1.070 1.00 27.18 C ATOM 921 OXT PHE A 99 -24.647 -29.437 3.906 1.00 27.88 O ATOM 922 H PHE A 99 -23.361 -29.481 2.015 1.00 0.00 H TER 923 PHE A 99 ATOM 924 N PRO B 1 -26.855 -29.090 2.200 1.00 28.99 N ATOM 925 CA PRO B 1 -26.993 -29.073 0.760 1.00 27.89 C ATOM 926 C PRO B 1 -25.742 -29.612 0.036 1.00 23.47 C ATOM 927 O PRO B 1 -24.662 -29.652 0.619 1.00 23.77 O ATOM 928 CB PRO B 1 -27.217 -27.551 0.455 1.00 29.48 C ATOM 929 CG PRO B 1 -27.812 -26.992 1.811 1.00 31.60 C ATOM 930 CD PRO B 1 -26.950 -27.749 2.806 1.00 32.90 C ATOM 931 HN2 PRO B 1 -25.928 -29.497 2.439 1.00 0.00 H ATOM 932 HN1 PRO B 1 -27.608 -29.687 2.598 1.00 0.00 H ATOM 933 N GLN B 2 -25.878 -29.968 -1.232 1.00 20.52 N ATOM 934 CA GLN B 2 -24.739 -30.237 -2.132 1.00 18.47 C ATOM 935 C GLN B 2 -24.849 -29.167 -3.197 1.00 17.05 C ATOM 936 O GLN B 2 -25.938 -28.977 -3.769 1.00 18.42 O ATOM 937 CB GLN B 2 -24.675 -31.684 -2.679 1.00 18.63 C ATOM 938 CG GLN B 2 -23.408 -31.938 -3.605 1.00 20.35 C ATOM 939 CD GLN B 2 -23.208 -33.349 -4.228 1.00 19.52 C ATOM 940 OE1 GLN B 2 -23.786 -33.728 -5.291 1.00 20.78 O ATOM 941 NE2 GLN B 2 -22.363 -34.118 -3.557 1.00 24.29 N ATOM 942 HE22 GLN B 2 -21.913 -33.763 -2.689 1.00 0.00 H ATOM 943 HE21 GLN B 2 -22.150 -35.077 -3.898 1.00 0.00 H ATOM 944 H GLN B 2 -26.840 -30.063 -1.615 1.00 0.00 H ATOM 945 N ILE B 3 -23.741 -28.511 -3.533 1.00 14.06 N ATOM 946 CA ILE B 3 -23.747 -27.521 -4.623 1.00 14.04 C ATOM 947 C ILE B 3 -22.607 -27.780 -5.552 1.00 13.13 C ATOM 948 O ILE B 3 -21.521 -28.240 -5.182 1.00 14.82 O ATOM 949 CB ILE B 3 -23.677 -26.085 -4.075 1.00 14.86 C ATOM 950 CG1 ILE B 3 -22.407 -25.846 -3.263 1.00 15.01 C ATOM 951 CG2 ILE B 3 -24.960 -25.711 -3.292 1.00 17.44 C ATOM 952 CD1 ILE B 3 -22.382 -24.389 -2.737 1.00 18.66 C ATOM 953 H ILE B 3 -22.858 -28.700 -3.018 1.00 0.00 H ATOM 954 N THR B 4 -22.879 -27.483 -6.822 1.00 13.03 N ATOM 955 CA THR B 4 -21.799 -27.361 -7.804 1.00 12.62 C ATOM 956 C THR B 4 -21.230 -25.978 -7.744 1.00 12.50 C ATOM 957 O THR B 4 -21.606 -25.152 -6.912 1.00 14.48 O ATOM 958 CB THR B 4 -22.343 -27.618 -9.183 1.00 13.57 C ATOM 959 OG1 THR B 4 -23.407 -26.726 -9.436 1.00 15.33 O ATOM 960 CG2 THR B 4 -22.834 -29.094 -9.318 1.00 15.74 C ATOM 961 HG1 THR B 4 -23.076 -25.795 -9.377 1.00 0.00 H ATOM 962 H THR B 4 -23.865 -27.337 -7.118 1.00 0.00 H ATOM 963 N LEU B 5 -20.251 -25.676 -8.603 1.00 12.55 N ATOM 964 CA LEU B 5 -19.416 -24.440 -8.492 1.00 12.38 C ATOM 965 C LEU B 5 -19.525 -23.577 -9.730 1.00 12.17 C ATOM 966 O LEU B 5 -18.682 -22.708 -9.981 1.00 12.88 O ATOM 967 CB LEU B 5 -17.992 -24.781 -8.174 1.00 12.72 C ATOM 968 CG LEU B 5 -17.775 -25.433 -6.806 1.00 13.22 C ATOM 969 CD1 LEU B 5 -16.397 -25.987 -6.667 1.00 16.87 C ATOM 970 CD2 LEU B 5 -18.063 -24.407 -5.677 1.00 16.96 C ATOM 971 H LEU B 5 -20.061 -26.333 -9.387 1.00 0.00 H ATOM 972 N TRP B 6 -20.638 -23.769 -10.479 1.00 13.65 N ATOM 973 CA TRP B 6 -20.874 -22.920 -11.644 1.00 15.10 C ATOM 974 C TRP B 6 -21.178 -21.506 -11.261 1.00 16.27 C ATOM 975 O TRP B 6 -20.827 -20.597 -12.034 1.00 19.11 O ATOM 976 CB TRP B 6 -22.051 -23.457 -12.458 1.00 16.15 C ATOM 977 CG TRP B 6 -21.654 -24.804 -13.038 1.00 15.32 C ATOM 978 CD1 TRP B 6 -22.010 -26.054 -12.557 1.00 19.43 C ATOM 979 CD2 TRP B 6 -20.846 -25.069 -14.184 1.00 14.18 C ATOM 980 NE1 TRP B 6 -21.434 -27.042 -13.285 1.00 19.64 N ATOM 981 CE2 TRP B 6 -20.739 -26.486 -14.314 1.00 14.96 C ATOM 982 CE3 TRP B 6 -20.162 -24.243 -15.102 1.00 15.06 C ATOM 983 CZ2 TRP B 6 -20.001 -27.092 -15.316 1.00 18.53 C ATOM 984 CZ3 TRP B 6 -19.491 -24.869 -16.135 1.00 18.83 C ATOM 985 CH2 TRP B 6 -19.397 -26.280 -16.201 1.00 19.37 C ATOM 986 HE1 TRP B 6 -21.511 -28.060 -13.089 1.00 0.00 H ATOM 987 H TRP B 6 -21.318 -24.514 -10.227 1.00 0.00 H ATOM 988 N LYS B 7 -21.760 -21.291 -10.080 1.00 17.45 N ATOM 989 CA LYS B 7 -21.822 -19.946 -9.600 1.00 19.20 C ATOM 990 C LYS B 7 -21.042 -19.761 -8.316 1.00 17.14 C ATOM 991 O LYS B 7 -20.655 -20.731 -7.694 1.00 16.22 O ATOM 992 CB LYS B 7 -23.184 -19.402 -9.382 1.00 23.02 C ATOM 993 CG LYS B 7 -23.934 -20.146 -8.448 1.00 25.18 C ATOM 994 CD LYS B 7 -25.272 -19.405 -8.152 1.00 33.31 C ATOM 995 CE LYS B 7 -26.226 -20.214 -7.247 1.00 40.68 C ATOM 996 NZ LYS B 7 -27.684 -19.804 -7.312 1.00 45.42 N ATOM 997 HZ1 LYS B 7 -27.776 -18.809 -7.024 1.00 0.00 H ATOM 998 HZ2 LYS B 7 -28.032 -19.918 -8.285 1.00 0.00 H ATOM 999 HZ3 LYS B 7 -28.241 -20.405 -6.671 1.00 0.00 H ATOM 1000 H LYS B 7 -22.156 -22.077 -9.526 1.00 0.00 H ATOM 1001 N ARG B 8 -20.799 -18.523 -7.930 1.00 17.54 N ATOM 1002 CA ARG B 8 -20.104 -18.263 -6.643 1.00 17.02 C ATOM 1003 C ARG B 8 -20.937 -18.887 -5.520 1.00 15.21 C ATOM 1004 O ARG B 8 -22.164 -18.668 -5.467 1.00 17.28 O ATOM 1005 CB ARG B 8 -20.012 -16.796 -6.375 1.00 18.72 C ATOM 1006 CG ARG B 8 -19.018 -16.081 -7.281 1.00 20.40 C ATOM 1007 CD ARG B 8 -18.616 -14.574 -6.972 1.00 21.62 C ATOM 1008 NE ARG B 8 -19.718 -13.610 -7.129 1.00 27.83 N ATOM 1009 CZ ARG B 8 -19.719 -12.317 -6.748 1.00 31.50 C ATOM 1010 NH1 ARG B 8 -18.675 -11.775 -6.129 1.00 30.03 N ATOM 1011 NH2 ARG B 8 -20.793 -11.576 -6.960 1.00 34.28 N ATOM 1012 HE ARG B 8 -20.586 -13.963 -7.581 1.00 0.00 H ATOM 1013 HH12 ARG B 8 -18.700 -10.775 -5.845 1.00 0.00 H ATOM 1014 HH11 ARG B 8 -17.833 -12.351 -5.929 1.00 0.00 H ATOM 1015 HH22 ARG B 8 -20.802 -10.578 -6.669 1.00 0.00 H ATOM 1016 HH21 ARG B 8 -21.629 -11.991 -7.418 1.00 0.00 H ATOM 1017 H ARG B 8 -21.095 -17.726 -8.529 1.00 0.00 H ATOM 1018 N PRO B 9 -20.303 -19.609 -4.591 1.00 14.99 N ATOM 1019 CA PRO B 9 -21.051 -20.331 -3.551 1.00 14.20 C ATOM 1020 C PRO B 9 -21.413 -19.444 -2.328 1.00 14.89 C ATOM 1021 O PRO B 9 -20.936 -19.628 -1.224 1.00 15.89 O ATOM 1022 CB PRO B 9 -20.112 -21.454 -3.178 1.00 16.12 C ATOM 1023 CG PRO B 9 -18.713 -20.844 -3.382 1.00 14.66 C ATOM 1024 CD PRO B 9 -18.903 -20.061 -4.658 1.00 13.81 C ATOM 1025 N PHE B 10 -22.310 -18.495 -2.544 1.00 15.23 N ATOM 1026 CA PHE B 10 -22.875 -17.672 -1.476 1.00 14.70 C ATOM 1027 C PHE B 10 -23.829 -18.430 -0.648 1.00 15.76 C ATOM 1028 O PHE B 10 -24.691 -19.170 -1.164 1.00 17.99 O ATOM 1029 CB PHE B 10 -23.534 -16.427 -2.016 1.00 16.65 C ATOM 1030 CG PHE B 10 -22.553 -15.405 -2.441 1.00 17.75 C ATOM 1031 CD1 PHE B 10 -21.866 -14.712 -1.438 1.00 19.68 C ATOM 1032 CD2 PHE B 10 -22.270 -15.164 -3.785 1.00 23.86 C ATOM 1033 CE1 PHE B 10 -20.951 -13.803 -1.733 1.00 19.98 C ATOM 1034 CE2 PHE B 10 -21.305 -14.197 -4.111 1.00 25.79 C ATOM 1035 CZ PHE B 10 -20.672 -13.489 -3.083 1.00 23.85 C ATOM 1036 H PHE B 10 -22.628 -18.327 -3.520 1.00 0.00 H ATOM 1037 N VAL B 11 -23.804 -18.153 0.651 1.00 14.84 N ATOM 1038 CA VAL B 11 -24.826 -18.630 1.581 1.00 15.89 C ATOM 1039 C VAL B 11 -25.267 -17.445 2.413 1.00 13.07 C ATOM 1040 O VAL B 11 -24.551 -16.451 2.606 1.00 14.90 O ATOM 1041 CB VAL B 11 -24.293 -19.760 2.514 1.00 18.32 C ATOM 1042 CG1 VAL B 11 -24.011 -21.072 1.685 1.00 22.23 C ATOM 1043 CG2 VAL B 11 -23.066 -19.360 3.346 1.00 18.02 C ATOM 1044 H VAL B 11 -23.025 -17.573 1.022 1.00 0.00 H ATOM 1045 N THR B 12 -26.495 -17.540 2.915 1.00 15.01 N ATOM 1046 CA THR B 12 -27.048 -16.522 3.825 1.00 14.23 C ATOM 1047 C THR B 12 -26.768 -16.932 5.249 1.00 15.73 C ATOM 1048 O THR B 12 -26.967 -18.093 5.609 1.00 19.33 O ATOM 1049 CB THR B 12 -28.534 -16.398 3.560 1.00 17.36 C ATOM 1050 OG1 THR B 12 -28.719 -16.004 2.173 1.00 20.25 O ATOM 1051 CG2 THR B 12 -29.158 -15.348 4.374 1.00 22.42 C ATOM 1052 HG1 THR B 12 -28.324 -16.692 1.580 1.00 0.00 H ATOM 1053 H THR B 12 -27.083 -18.358 2.657 1.00 0.00 H ATOM 1054 N VAL B 13 -26.286 -15.963 6.025 1.00 14.98 N ATOM 1055 CA VAL B 13 -25.695 -16.205 7.342 1.00 15.68 C ATOM 1056 C VAL B 13 -26.278 -15.159 8.302 1.00 13.89 C ATOM 1057 O VAL B 13 -26.523 -14.017 7.890 1.00 14.49 O ATOM 1058 CB VAL B 13 -24.173 -15.985 7.214 1.00 16.82 C ATOM 1059 CG1 VAL B 13 -23.498 -16.148 8.504 1.00 20.64 C ATOM 1060 CG2 VAL B 13 -23.576 -16.948 6.199 1.00 20.16 C ATOM 1061 H VAL B 13 -26.332 -14.984 5.677 1.00 0.00 H ATOM 1062 N LYS B 14 -26.525 -15.526 9.581 1.00 13.36 N ATOM 1063 CA LYS B 14 -26.823 -14.520 10.616 1.00 11.91 C ATOM 1064 C LYS B 14 -25.640 -14.528 11.531 1.00 12.49 C ATOM 1065 O LYS B 14 -25.267 -15.562 12.068 1.00 15.97 O ATOM 1066 CB LYS B 14 -28.136 -14.889 11.315 1.00 16.10 C ATOM 1067 CG LYS B 14 -28.583 -13.828 12.258 1.00 18.84 C ATOM 1068 CD LYS B 14 -30.021 -14.283 12.786 1.00 27.81 C ATOM 1069 CE LYS B 14 -30.359 -13.631 14.027 1.00 31.81 C ATOM 1070 NZ LYS B 14 -31.685 -14.176 14.336 1.00 30.32 N ATOM 1071 HZ1 LYS B 14 -32.344 -13.939 13.567 1.00 0.00 H ATOM 1072 HZ2 LYS B 14 -31.620 -15.210 14.432 1.00 0.00 H ATOM 1073 HZ3 LYS B 14 -32.028 -13.765 15.227 1.00 0.00 H ATOM 1074 H LYS B 14 -26.504 -16.534 9.838 1.00 0.00 H ATOM 1075 N VAL B 15 -24.943 -13.406 11.621 1.00 11.58 N ATOM 1076 CA VAL B 15 -23.706 -13.340 12.419 1.00 12.48 C ATOM 1077 C VAL B 15 -23.891 -12.214 13.404 1.00 13.77 C ATOM 1078 O VAL B 15 -24.193 -11.069 13.018 1.00 13.48 O ATOM 1079 CB VAL B 15 -22.465 -13.117 11.487 1.00 13.40 C ATOM 1080 CG1 VAL B 15 -22.618 -11.992 10.508 1.00 16.68 C ATOM 1081 CG2 VAL B 15 -21.205 -12.932 12.337 1.00 15.12 C ATOM 1082 H VAL B 15 -25.274 -12.557 11.120 1.00 0.00 H ATOM 1083 N GLY B 16 -23.734 -12.537 14.680 1.00 15.44 N ATOM 1084 CA GLY B 16 -24.052 -11.535 15.710 1.00 15.52 C ATOM 1085 C GLY B 16 -25.393 -10.790 15.523 1.00 15.63 C ATOM 1086 O GLY B 16 -25.492 -9.595 15.693 1.00 16.30 O ATOM 1087 H GLY B 16 -23.392 -13.482 14.949 1.00 0.00 H ATOM 1088 N GLY B 17 -26.396 -11.534 15.115 1.00 16.87 N ATOM 1089 CA GLY B 17 -27.731 -10.934 14.932 1.00 16.27 C ATOM 1090 C GLY B 17 -27.991 -10.194 13.615 1.00 14.65 C ATOM 1091 O GLY B 17 -29.140 -9.750 13.402 1.00 16.09 O ATOM 1092 H GLY B 17 -26.249 -12.545 14.921 1.00 0.00 H ATOM 1093 N GLN B 18 -27.014 -10.206 12.697 1.00 11.01 N ATOM 1094 CA GLN B 18 -27.016 -9.404 11.490 1.00 10.86 C ATOM 1095 C GLN B 18 -27.035 -10.316 10.275 1.00 10.07 C ATOM 1096 O GLN B 18 -26.230 -11.225 10.178 1.00 9.51 O ATOM 1097 CB GLN B 18 -25.759 -8.549 11.509 1.00 9.73 C ATOM 1098 CG GLN B 18 -25.850 -7.499 12.612 1.00 9.47 C ATOM 1099 CD GLN B 18 -24.489 -7.038 13.057 1.00 10.10 C ATOM 1100 OE1 GLN B 18 -23.980 -6.016 12.600 1.00 8.99 O ATOM 1101 NE2 GLN B 18 -23.895 -7.777 14.028 1.00 13.74 N ATOM 1102 HE22 GLN B 18 -24.360 -8.635 14.386 1.00 0.00 H ATOM 1103 HE21 GLN B 18 -22.974 -7.485 14.414 1.00 0.00 H ATOM 1104 H GLN B 18 -26.201 -10.833 12.862 1.00 0.00 H ATOM 1105 N LEU B 19 -27.941 -10.078 9.319 1.00 12.33 N ATOM 1106 CA LEU B 19 -28.075 -10.955 8.173 1.00 11.46 C ATOM 1107 C LEU B 19 -27.069 -10.529 7.122 1.00 12.77 C ATOM 1108 O LEU B 19 -27.007 -9.335 6.751 1.00 14.91 O ATOM 1109 CB LEU B 19 -29.464 -10.772 7.591 1.00 14.44 C ATOM 1110 CG LEU B 19 -30.625 -11.048 8.543 1.00 15.93 C ATOM 1111 CD1 LEU B 19 -31.929 -10.948 7.794 1.00 19.36 C ATOM 1112 CD2 LEU B 19 -30.507 -12.410 9.239 1.00 23.35 C ATOM 1113 H LEU B 19 -28.561 -9.247 9.400 1.00 0.00 H ATOM 1114 N LYS B 20 -26.324 -11.519 6.618 1.00 12.38 N ATOM 1115 CA LYS B 20 -25.334 -11.226 5.612 1.00 13.00 C ATOM 1116 C LYS B 20 -25.250 -12.329 4.609 1.00 12.97 C ATOM 1117 O LYS B 20 -25.682 -13.436 4.900 1.00 16.90 O ATOM 1118 CB LYS B 20 -23.944 -11.032 6.275 1.00 14.59 C ATOM 1119 CG LYS B 20 -23.865 -9.894 7.250 1.00 17.70 C ATOM 1120 CD LYS B 20 -23.869 -8.573 6.421 1.00 23.33 C ATOM 1121 CE LYS B 20 -23.490 -7.422 7.199 1.00 32.19 C ATOM 1122 NZ LYS B 20 -23.517 -6.168 6.380 1.00 34.57 N ATOM 1123 HZ1 LYS B 20 -22.853 -6.260 5.585 1.00 0.00 H ATOM 1124 HZ2 LYS B 20 -24.478 -6.015 6.014 1.00 0.00 H ATOM 1125 HZ3 LYS B 20 -23.238 -5.361 6.974 1.00 0.00 H ATOM 1126 H LYS B 20 -26.458 -12.495 6.950 1.00 0.00 H ATOM 1127 N GLU B 21 -24.702 -12.032 3.437 1.00 13.37 N ATOM 1128 CA GLU B 21 -24.349 -13.110 2.514 1.00 13.85 C ATOM 1129 C GLU B 21 -22.830 -13.259 2.533 1.00 12.53 C ATOM 1130 O GLU B 21 -22.098 -12.252 2.675 1.00 14.91 O ATOM 1131 CB GLU B 21 -24.797 -12.743 1.089 1.00 16.64 C ATOM 1132 CG GLU B 21 -26.262 -12.911 0.967 1.00 24.83 C ATOM 1133 CD GLU B 21 -26.713 -12.900 -0.444 1.00 30.81 C ATOM 1134 OE1 GLU B 21 -27.208 -11.814 -0.879 1.00 32.98 O ATOM 1135 OE2 GLU B 21 -26.573 -13.961 -1.086 1.00 31.76 O ATOM 1136 H GLU B 21 -24.525 -11.041 3.177 1.00 0.00 H ATOM 1137 N ALA B 22 -22.355 -14.487 2.402 1.00 11.80 N ATOM 1138 CA ALA B 22 -20.873 -14.756 2.470 1.00 11.24 C ATOM 1139 C ALA B 22 -20.536 -15.919 1.572 1.00 12.70 C ATOM 1140 O ALA B 22 -21.382 -16.822 1.388 1.00 14.20 O ATOM 1141 CB ALA B 22 -20.459 -14.999 3.900 1.00 12.15 C ATOM 1142 H ALA B 22 -23.013 -15.278 2.250 1.00 0.00 H ATOM 1143 N LEU B 23 -19.324 -15.894 1.037 1.00 12.89 N ATOM 1144 CA LEU B 23 -18.836 -16.854 0.088 1.00 12.71 C ATOM 1145 C LEU B 23 -18.254 -18.107 0.849 1.00 12.63 C ATOM 1146 O LEU B 23 -17.300 -17.814 1.637 1.00 11.23 O ATOM 1147 CB LEU B 23 -17.726 -16.037 -0.638 1.00 12.98 C ATOM 1148 CG LEU B 23 -16.977 -16.749 -1.735 1.00 14.20 C ATOM 1149 CD1 LEU B 23 -17.967 -17.021 -2.873 1.00 14.65 C ATOM 1150 CD2 LEU B 23 -15.928 -15.851 -2.228 1.00 14.64 C ATOM 1151 H LEU B 23 -18.683 -15.127 1.324 1.00 0.00 H ATOM 1152 N LEU B 24 -18.776 -19.394 0.684 1.00 14.70 N ATOM 1153 CA LEU B 24 -18.152 -20.607 1.230 1.00 15.09 C ATOM 1154 C LEU B 24 -16.808 -20.671 0.522 1.00 15.48 C ATOM 1155 O LEU B 24 -16.750 -20.896 -0.679 1.00 19.14 O ATOM 1156 CB LEU B 24 -18.986 -21.832 1.006 1.00 17.31 C ATOM 1157 CG LEU B 24 -20.362 -21.842 1.641 1.00 19.58 C ATOM 1158 CD1 LEU B 24 -21.092 -23.112 1.135 1.00 23.45 C ATOM 1159 CD2 LEU B 24 -20.142 -21.928 3.136 1.00 23.12 C ATOM 1160 H LEU B 24 -19.658 -19.499 0.143 1.00 0.00 H ATOM 1161 N ASP B 25 -15.732 -20.486 1.279 1.00 13.30 N ATOM 1162 CA ASP B 25 -14.412 -20.312 0.704 1.00 13.38 C ATOM 1163 C ASP B 25 -13.372 -21.261 1.239 1.00 11.11 C ATOM 1164 O ASP B 25 -12.785 -21.021 2.302 1.00 12.30 O ATOM 1165 CB ASP B 25 -14.020 -18.871 0.947 1.00 14.04 C ATOM 1166 CG ASP B 25 -12.837 -18.523 0.255 1.00 16.30 C ATOM 1167 OD1 ASP B 25 -12.212 -19.433 -0.360 1.00 18.25 O ATOM 1168 OD2 ASP B 25 -12.484 -17.330 0.228 1.00 17.07 O ATOM 1169 H ASP B 25 -15.839 -20.465 2.313 1.00 0.00 H ATOM 1170 N THR B 26 -13.151 -22.343 0.527 1.00 10.47 N ATOM 1171 CA THR B 26 -12.256 -23.357 1.015 1.00 9.65 C ATOM 1172 C THR B 26 -10.781 -22.887 1.023 1.00 9.69 C ATOM 1173 O THR B 26 -9.959 -23.489 1.700 1.00 11.05 O ATOM 1174 CB THR B 26 -12.358 -24.631 0.195 1.00 9.91 C ATOM 1175 OG1 THR B 26 -12.098 -24.342 -1.191 1.00 9.59 O ATOM 1176 CG2 THR B 26 -13.754 -25.250 0.329 1.00 10.91 C ATOM 1177 HG1 THR B 26 -11.187 -23.965 -1.283 1.00 0.00 H ATOM 1178 H THR B 26 -13.624 -22.466 -0.391 1.00 0.00 H ATOM 1179 N GLY B 27 -10.508 -21.771 0.297 1.00 10.60 N ATOM 1180 CA GLY B 27 -9.162 -21.207 0.318 1.00 11.75 C ATOM 1181 C GLY B 27 -8.951 -20.223 1.475 1.00 11.69 C ATOM 1182 O GLY B 27 -7.853 -19.629 1.556 1.00 12.85 O ATOM 1183 H GLY B 27 -11.254 -21.321 -0.271 1.00 0.00 H ATOM 1184 N ALA B 28 -9.960 -19.985 2.330 1.00 11.41 N ATOM 1185 CA ALA B 28 -9.839 -19.041 3.423 1.00 11.64 C ATOM 1186 C ALA B 28 -9.733 -19.829 4.732 1.00 10.54 C ATOM 1187 O ALA B 28 -10.568 -20.653 5.071 1.00 11.88 O ATOM 1188 CB ALA B 28 -11.063 -18.197 3.479 1.00 14.65 C ATOM 1189 H ALA B 28 -10.857 -20.495 2.203 1.00 0.00 H ATOM 1190 N ASP B 29 -8.671 -19.554 5.506 1.00 10.90 N ATOM 1191 CA ASP B 29 -8.500 -20.212 6.812 1.00 10.45 C ATOM 1192 C ASP B 29 -9.554 -19.643 7.786 1.00 10.71 C ATOM 1193 O ASP B 29 -10.056 -20.415 8.637 1.00 12.23 O ATOM 1194 CB ASP B 29 -7.160 -19.914 7.406 1.00 11.79 C ATOM 1195 CG ASP B 29 -6.004 -20.449 6.627 1.00 15.08 C ATOM 1196 OD1 ASP B 29 -6.058 -21.345 5.782 1.00 16.09 O ATOM 1197 OD2 ASP B 29 -4.845 -19.937 6.909 1.00 21.12 O ATOM 1198 H ASP B 29 -7.961 -18.868 5.179 1.00 0.00 H ATOM 1199 N ASN B 30 -9.835 -18.324 7.748 1.00 11.61 N ATOM 1200 CA ASN B 30 -10.778 -17.747 8.695 1.00 12.07 C ATOM 1201 C ASN B 30 -11.951 -17.094 7.990 1.00 11.43 C ATOM 1202 O ASN B 30 -11.954 -16.865 6.796 1.00 12.66 O ATOM 1203 CB ASN B 30 -10.182 -16.579 9.554 1.00 12.16 C ATOM 1204 CG ASN B 30 -9.222 -16.996 10.602 1.00 14.84 C ATOM 1205 OD1 ASN B 30 -8.043 -17.176 10.361 1.00 16.72 O ATOM 1206 ND2 ASN B 30 -9.728 -17.230 11.757 1.00 23.88 N ATOM 1207 HD22 ASN B 30 -10.741 -17.064 11.924 1.00 0.00 H ATOM 1208 HD21 ASN B 30 -9.125 -17.586 12.526 1.00 0.00 H ATOM 1209 H ASN B 30 -9.376 -17.717 7.039 1.00 0.00 H ATOM 1210 N THR B 31 -12.916 -16.760 8.780 1.00 11.94 N ATOM 1211 CA THR B 31 -14.132 -16.135 8.424 1.00 10.79 C ATOM 1212 C THR B 31 -14.030 -14.645 8.613 1.00 10.44 C ATOM 1213 O THR B 31 -13.595 -14.192 9.680 1.00 12.22 O ATOM 1214 CB THR B 31 -15.210 -16.742 9.335 1.00 11.85 C ATOM 1215 OG1 THR B 31 -15.341 -18.147 8.936 1.00 14.99 O ATOM 1216 CG2 THR B 31 -16.560 -16.069 9.198 1.00 13.40 C ATOM 1217 HG1 THR B 31 -16.029 -18.586 9.497 1.00 0.00 H ATOM 1218 H THR B 31 -12.784 -16.975 9.789 1.00 0.00 H ATOM 1219 N ILE B 32 -14.528 -13.917 7.629 1.00 9.17 N ATOM 1220 CA ILE B 32 -14.332 -12.494 7.581 1.00 8.97 C ATOM 1221 C ILE B 32 -15.598 -11.789 7.114 1.00 8.51 C ATOM 1222 O ILE B 32 -16.217 -12.191 6.078 1.00 9.12 O ATOM 1223 CB ILE B 32 -13.191 -12.080 6.654 1.00 7.72 C ATOM 1224 CG1 ILE B 32 -11.911 -12.881 6.967 1.00 8.39 C ATOM 1225 CG2 ILE B 32 -12.897 -10.586 6.770 1.00 8.50 C ATOM 1226 CD1 ILE B 32 -10.746 -12.592 6.091 1.00 11.06 C ATOM 1227 H ILE B 32 -15.072 -14.383 6.875 1.00 0.00 H ATOM 1228 N PHE B 33 -15.973 -10.738 7.871 1.00 10.10 N ATOM 1229 CA PHE B 33 -17.066 -9.861 7.414 1.00 10.39 C ATOM 1230 C PHE B 33 -16.659 -8.426 7.475 1.00 11.56 C ATOM 1231 O PHE B 33 -15.897 -8.003 8.345 1.00 13.81 O ATOM 1232 CB PHE B 33 -18.281 -10.005 8.345 1.00 11.85 C ATOM 1233 CG PHE B 33 -18.965 -11.341 8.187 1.00 10.95 C ATOM 1234 CD1 PHE B 33 -20.053 -11.483 7.340 1.00 13.73 C ATOM 1235 CD2 PHE B 33 -18.612 -12.413 8.895 1.00 14.13 C ATOM 1236 CE1 PHE B 33 -20.666 -12.704 7.155 1.00 14.33 C ATOM 1237 CE2 PHE B 33 -19.270 -13.713 8.722 1.00 16.87 C ATOM 1238 CZ PHE B 33 -20.250 -13.814 7.778 1.00 15.56 C ATOM 1239 H PHE B 33 -15.493 -10.547 8.774 1.00 0.00 H ATOM 1240 N GLU B 34 -17.218 -7.679 6.519 1.00 12.81 N ATOM 1241 CA GLU B 34 -17.274 -6.232 6.563 1.00 15.40 C ATOM 1242 C GLU B 34 -18.619 -5.756 7.142 1.00 15.13 C ATOM 1243 O GLU B 34 -19.639 -6.407 7.025 1.00 18.31 O ATOM 1244 CB GLU B 34 -16.988 -5.652 5.171 1.00 18.64 C ATOM 1245 CG GLU B 34 -17.019 -4.225 5.245 1.00 27.23 C ATOM 1246 CD GLU B 34 -16.833 -3.459 3.973 1.00 34.86 C ATOM 1247 OE1 GLU B 34 -16.216 -2.330 4.078 1.00 38.29 O ATOM 1248 OE2 GLU B 34 -17.342 -3.942 2.903 1.00 37.20 O ATOM 1249 H GLU B 34 -17.636 -8.162 5.698 1.00 0.00 H ATOM 1250 N ASP B 35 -18.601 -4.582 7.700 1.00 17.05 N ATOM 1251 CA ASP B 35 -19.818 -3.871 8.069 1.00 20.02 C ATOM 1252 C ASP B 35 -20.741 -4.671 8.977 1.00 19.78 C ATOM 1253 O ASP B 35 -21.987 -4.799 8.714 1.00 20.83 O ATOM 1254 CB ASP B 35 -20.571 -3.376 6.822 1.00 22.12 C ATOM 1255 CG ASP B 35 -19.741 -2.455 5.963 1.00 26.39 C ATOM 1256 OD1 ASP B 35 -19.960 -2.558 4.743 1.00 36.85 O ATOM 1257 OD2 ASP B 35 -18.790 -1.753 6.479 1.00 28.78 O ATOM 1258 H ASP B 35 -17.682 -4.133 7.890 1.00 0.00 H ATOM 1259 N ILE B 36 -20.114 -5.243 10.010 1.00 15.89 N ATOM 1260 CA ILE B 36 -20.927 -5.734 11.090 1.00 14.02 C ATOM 1261 C ILE B 36 -20.396 -5.154 12.318 1.00 14.14 C ATOM 1262 O ILE B 36 -19.226 -4.747 12.418 1.00 17.59 O ATOM 1263 CB ILE B 36 -20.956 -7.233 11.177 1.00 14.44 C ATOM 1264 CG1 ILE B 36 -19.575 -7.859 11.387 1.00 14.60 C ATOM 1265 CG2 ILE B 36 -21.696 -7.857 9.986 1.00 17.74 C ATOM 1266 CD1 ILE B 36 -19.619 -9.384 11.749 1.00 15.95 C ATOM 1267 H ILE B 36 -19.078 -5.330 10.032 1.00 0.00 H ATOM 1268 N ASN B 37 -21.253 -4.938 13.306 1.00 15.62 N ATOM 1269 CA ASN B 37 -20.686 -4.559 14.632 1.00 17.91 C ATOM 1270 C ASN B 37 -21.028 -5.599 15.670 1.00 16.82 C ATOM 1271 O ASN B 37 -22.163 -6.080 15.764 1.00 17.90 O ATOM 1272 CB ASN B 37 -21.066 -3.151 15.134 1.00 20.37 C ATOM 1273 CG ASN B 37 -21.043 -2.107 14.019 1.00 24.47 C ATOM 1274 OD1 ASN B 37 -20.006 -1.517 13.709 1.00 28.75 O ATOM 1275 ND2 ASN B 37 -22.218 -1.817 13.468 1.00 32.75 N ATOM 1276 HD22 ASN B 37 -23.070 -2.338 13.757 1.00 0.00 H ATOM 1277 HD21 ASN B 37 -22.284 -1.069 12.748 1.00 0.00 H ATOM 1278 H ASN B 37 -22.279 -5.029 13.162 1.00 0.00 H ATOM 1279 N LEU B 38 -19.980 -5.985 16.375 1.00 16.19 N ATOM 1280 CA LEU B 38 -19.981 -7.030 17.329 1.00 14.86 C ATOM 1281 C LEU B 38 -19.620 -6.419 18.690 1.00 14.12 C ATOM 1282 O LEU B 38 -18.829 -5.469 18.780 1.00 16.98 O ATOM 1283 CB LEU B 38 -18.925 -8.091 16.936 1.00 14.32 C ATOM 1284 CG LEU B 38 -19.342 -8.857 15.686 1.00 13.06 C ATOM 1285 CD1 LEU B 38 -18.241 -9.868 15.353 1.00 14.24 C ATOM 1286 CD2 LEU B 38 -20.635 -9.596 15.908 1.00 14.95 C ATOM 1287 H LEU B 38 -19.084 -5.481 16.217 1.00 0.00 H ATOM 1288 N PRO B 39 -20.182 -6.962 19.765 1.00 14.19 N ATOM 1289 CA PRO B 39 -19.914 -6.397 21.094 1.00 15.63 C ATOM 1290 C PRO B 39 -18.647 -6.942 21.723 1.00 14.85 C ATOM 1291 O PRO B 39 -18.140 -7.996 21.367 1.00 16.25 O ATOM 1292 CB PRO B 39 -21.144 -6.880 21.900 1.00 17.89 C ATOM 1293 CG PRO B 39 -21.409 -8.218 21.320 1.00 16.95 C ATOM 1294 CD PRO B 39 -21.181 -8.045 19.799 1.00 15.88 C ATOM 1295 N GLY B 40 -18.188 -6.230 22.700 1.00 15.99 N ATOM 1296 CA GLY B 40 -17.123 -6.714 23.560 1.00 17.33 C ATOM 1297 C GLY B 40 -15.721 -6.495 23.035 1.00 17.10 C ATOM 1298 O GLY B 40 -15.465 -5.735 22.085 1.00 18.32 O ATOM 1299 H GLY B 40 -18.592 -5.287 22.874 1.00 0.00 H ATOM 1300 N ARG B 41 -14.786 -7.077 23.757 1.00 19.61 N ATOM 1301 CA ARG B 41 -13.367 -6.968 23.424 1.00 20.73 C ATOM 1302 C ARG B 41 -12.972 -7.695 22.169 1.00 18.91 C ATOM 1303 O ARG B 41 -13.597 -8.706 21.750 1.00 19.50 O ATOM 1304 CB ARG B 41 -12.503 -7.493 24.604 1.00 23.17 C ATOM 1305 CG ARG B 41 -12.754 -6.793 25.977 1.00 30.34 C ATOM 1306 CD ARG B 41 -12.142 -7.638 27.139 1.00 39.57 C ATOM 1307 NE ARG B 41 -10.670 -7.671 27.124 1.00 49.43 N ATOM 1308 CZ ARG B 41 -9.893 -7.160 28.089 1.00 54.81 C ATOM 1309 NH1 ARG B 41 -10.440 -6.570 29.165 1.00 58.18 N ATOM 1310 NH2 ARG B 41 -8.564 -7.240 27.988 1.00 58.68 N ATOM 1311 HE ARG B 41 -10.202 -8.120 26.311 1.00 0.00 H ATOM 1312 HH12 ARG B 41 -9.829 -6.176 29.909 1.00 0.00 H ATOM 1313 HH11 ARG B 41 -11.474 -6.507 29.254 1.00 0.00 H ATOM 1314 HH22 ARG B 41 -7.961 -6.844 28.737 1.00 0.00 H ATOM 1315 HH21 ARG B 41 -8.132 -7.699 27.161 1.00 0.00 H ATOM 1316 H ARG B 41 -15.066 -7.632 24.591 1.00 0.00 H ATOM 1317 N TRP B 42 -11.934 -7.185 21.568 1.00 20.72 N ATOM 1318 CA TRP B 42 -11.395 -7.814 20.360 1.00 18.85 C ATOM 1319 C TRP B 42 -9.869 -7.653 20.415 1.00 19.50 C ATOM 1320 O TRP B 42 -9.304 -6.893 21.216 1.00 21.84 O ATOM 1321 CB TRP B 42 -11.962 -7.155 19.088 1.00 19.42 C ATOM 1322 CG TRP B 42 -11.864 -5.710 19.128 1.00 23.37 C ATOM 1323 CD1 TRP B 42 -12.789 -4.826 19.704 1.00 25.34 C ATOM 1324 CD2 TRP B 42 -10.832 -4.919 18.600 1.00 23.85 C ATOM 1325 NE1 TRP B 42 -12.412 -3.555 19.448 1.00 27.95 N ATOM 1326 CE2 TRP B 42 -11.190 -3.550 18.843 1.00 27.30 C ATOM 1327 CE3 TRP B 42 -9.627 -5.208 17.973 1.00 24.59 C ATOM 1328 CZ2 TRP B 42 -10.375 -2.479 18.469 1.00 33.63 C ATOM 1329 CZ3 TRP B 42 -8.819 -4.172 17.597 1.00 29.81 C ATOM 1330 CH2 TRP B 42 -9.181 -2.812 17.846 1.00 34.57 C ATOM 1331 HE1 TRP B 42 -12.970 -2.708 19.678 1.00 0.00 H ATOM 1332 H TRP B 42 -11.486 -6.327 21.948 1.00 0.00 H ATOM 1333 N LYS B 43 -9.232 -8.352 19.492 1.00 19.07 N ATOM 1334 CA LYS B 43 -7.749 -8.243 19.343 1.00 22.62 C ATOM 1335 C LYS B 43 -7.405 -7.845 17.917 1.00 21.69 C ATOM 1336 O LYS B 43 -8.042 -8.304 16.951 1.00 19.35 O ATOM 1337 CB LYS B 43 -7.009 -9.549 19.759 1.00 25.57 C ATOM 1338 CG LYS B 43 -7.079 -9.609 21.287 1.00 30.37 C ATOM 1339 CD LYS B 43 -6.261 -10.659 21.985 1.00 39.28 C ATOM 1340 CE LYS B 43 -4.999 -10.106 22.782 1.00 42.41 C ATOM 1341 NZ LYS B 43 -4.494 -11.059 23.903 1.00 42.75 N ATOM 1342 HZ1 LYS B 43 -5.254 -11.210 24.596 1.00 0.00 H ATOM 1343 HZ2 LYS B 43 -4.219 -11.970 23.484 1.00 0.00 H ATOM 1344 HZ3 LYS B 43 -3.672 -10.631 24.376 1.00 0.00 H ATOM 1345 H LYS B 43 -9.768 -8.984 18.863 1.00 0.00 H ATOM 1346 N PRO B 44 -6.341 -7.051 17.715 1.00 24.73 N ATOM 1347 CA PRO B 44 -5.975 -6.725 16.327 1.00 24.85 C ATOM 1348 C PRO B 44 -5.325 -7.901 15.621 1.00 25.16 C ATOM 1349 O PRO B 44 -4.661 -8.739 16.286 1.00 26.69 O ATOM 1350 CB PRO B 44 -4.937 -5.611 16.487 1.00 28.05 C ATOM 1351 CG PRO B 44 -4.353 -5.960 17.782 1.00 30.76 C ATOM 1352 CD PRO B 44 -5.526 -6.276 18.651 1.00 27.20 C ATOM 1353 N LYS B 45 -5.559 -7.967 14.309 1.00 23.55 N ATOM 1354 CA LYS B 45 -4.931 -8.983 13.449 1.00 24.52 C ATOM 1355 C LYS B 45 -4.800 -8.417 12.040 1.00 24.52 C ATOM 1356 O LYS B 45 -5.497 -7.486 11.651 1.00 23.87 O ATOM 1357 CB LYS B 45 -5.860 -10.185 13.438 1.00 25.70 C ATOM 1358 CG LYS B 45 -5.800 -11.051 14.672 1.00 28.75 C ATOM 1359 CD LYS B 45 -6.149 -12.520 14.313 1.00 30.75 C ATOM 1360 CE LYS B 45 -5.519 -12.998 12.950 1.00 33.31 C ATOM 1361 NZ LYS B 45 -4.986 -14.430 12.769 1.00 30.46 N ATOM 1362 HZ1 LYS B 45 -4.226 -14.605 13.457 1.00 0.00 H ATOM 1363 HZ2 LYS B 45 -5.759 -15.108 12.925 1.00 0.00 H ATOM 1364 HZ3 LYS B 45 -4.615 -14.541 11.804 1.00 0.00 H ATOM 1365 H LYS B 45 -6.207 -7.277 13.879 1.00 0.00 H ATOM 1366 N MET B 46 -3.881 -8.966 11.240 1.00 22.68 N ATOM 1367 CA MET B 46 -3.831 -8.670 9.801 1.00 22.11 C ATOM 1368 C MET B 46 -4.021 -9.971 9.061 1.00 21.09 C ATOM 1369 O MET B 46 -3.454 -11.025 9.453 1.00 25.95 O ATOM 1370 CB MET B 46 -2.535 -7.976 9.386 1.00 25.35 C ATOM 1371 CG MET B 46 -2.340 -6.581 10.154 1.00 25.56 C ATOM 1372 SD MET B 46 -1.074 -5.669 9.347 1.00 34.65 S ATOM 1373 CE MET B 46 -0.712 -4.464 10.698 1.00 38.32 C ATOM 1374 H MET B 46 -3.182 -9.620 11.647 1.00 0.00 H ATOM 1375 N VAL B 47 -4.605 -9.957 7.857 1.00 18.24 N ATOM 1376 CA VAL B 47 -4.639 -11.123 6.899 1.00 16.03 C ATOM 1377 C VAL B 47 -4.213 -10.855 5.487 1.00 12.81 C ATOM 1378 O VAL B 47 -4.428 -9.761 5.004 1.00 13.96 O ATOM 1379 CB VAL B 47 -6.020 -11.904 6.848 1.00 15.24 C ATOM 1380 CG1 VAL B 47 -6.534 -12.049 8.221 1.00 15.67 C ATOM 1381 CG2 VAL B 47 -7.085 -11.123 6.035 1.00 18.51 C ATOM 1382 H VAL B 47 -5.071 -9.076 7.559 1.00 0.00 H ATOM 1383 N GLY B 48 -3.665 -11.839 4.789 1.00 13.39 N ATOM 1384 CA GLY B 48 -3.045 -11.578 3.468 1.00 14.34 C ATOM 1385 C GLY B 48 -3.724 -12.399 2.410 1.00 13.70 C ATOM 1386 O GLY B 48 -4.078 -13.538 2.651 1.00 14.65 O ATOM 1387 H GLY B 48 -3.670 -12.806 5.172 1.00 0.00 H ATOM 1388 N GLY B 49 -3.884 -11.816 1.213 1.00 13.56 N ATOM 1389 CA GLY B 49 -4.330 -12.643 0.109 1.00 15.68 C ATOM 1390 C GLY B 49 -3.707 -12.106 -1.119 1.00 14.32 C ATOM 1391 O GLY B 49 -2.647 -11.467 -1.093 1.00 16.71 O ATOM 1392 H GLY B 49 -3.694 -10.802 1.081 1.00 0.00 H ATOM 1393 N ILE B 50 -4.333 -12.340 -2.163 1.00 16.04 N ATOM 1394 CA ILE B 50 -3.598 -11.948 -3.232 1.00 17.02 C ATOM 1395 C ILE B 50 -3.676 -10.412 -3.052 1.00 19.14 C ATOM 1396 O ILE B 50 -4.103 -9.977 -2.044 1.00 21.37 O ATOM 1397 CB ILE B 50 -4.180 -12.426 -4.443 1.00 18.51 C ATOM 1398 CG1 ILE B 50 -5.387 -11.725 -4.682 1.00 19.85 C ATOM 1399 CG2 ILE B 50 -4.364 -13.883 -4.492 1.00 20.42 C ATOM 1400 CD1 ILE B 50 -5.313 -11.489 -6.062 1.00 23.12 C ATOM 1401 H ILE B 50 -5.278 -12.771 -2.211 1.00 0.00 H ATOM 1402 N GLY B 51 -3.265 -9.577 -3.961 1.00 18.88 N ATOM 1403 CA GLY B 51 -3.370 -8.150 -3.695 1.00 21.46 C ATOM 1404 C GLY B 51 -2.655 -7.477 -2.519 1.00 23.24 C ATOM 1405 O GLY B 51 -2.371 -6.272 -2.632 1.00 25.32 O ATOM 1406 H GLY B 51 -2.870 -9.922 -4.859 1.00 0.00 H ATOM 1407 N GLY B 52 -2.364 -8.167 -1.432 1.00 23.11 N ATOM 1408 CA GLY B 52 -1.967 -7.571 -0.192 1.00 24.65 C ATOM 1409 C GLY B 52 -2.614 -8.090 1.097 1.00 23.75 C ATOM 1410 O GLY B 52 -3.163 -9.128 1.134 1.00 24.54 O ATOM 1411 H GLY B 52 -2.427 -9.204 -1.479 1.00 0.00 H ATOM 1412 N PHE B 53 -2.483 -7.301 2.143 1.00 23.61 N ATOM 1413 CA PHE B 53 -3.055 -7.453 3.542 1.00 23.02 C ATOM 1414 C PHE B 53 -4.166 -6.481 3.985 1.00 23.37 C ATOM 1415 O PHE B 53 -4.085 -5.274 3.734 1.00 26.20 O ATOM 1416 CB PHE B 53 -1.964 -7.369 4.635 1.00 23.71 C ATOM 1417 CG PHE B 53 -1.129 -8.565 4.762 1.00 21.79 C ATOM 1418 CD1 PHE B 53 -1.019 -9.268 5.951 1.00 20.56 C ATOM 1419 CD2 PHE B 53 -0.341 -8.964 3.712 1.00 22.88 C ATOM 1420 CE1 PHE B 53 -0.224 -10.365 6.028 1.00 16.66 C ATOM 1421 CE2 PHE B 53 0.452 -10.095 3.823 1.00 20.94 C ATOM 1422 CZ PHE B 53 0.540 -10.756 4.946 1.00 20.44 C ATOM 1423 H PHE B 53 -1.904 -6.451 1.989 1.00 0.00 H ATOM 1424 N LEU B 54 -5.144 -7.039 4.712 1.00 22.48 N ATOM 1425 CA LEU B 54 -6.294 -6.376 5.250 1.00 22.06 C ATOM 1426 C LEU B 54 -6.132 -6.335 6.771 1.00 21.42 C ATOM 1427 O LEU B 54 -5.874 -7.384 7.428 1.00 24.56 O ATOM 1428 CB LEU B 54 -7.537 -7.237 4.916 1.00 23.67 C ATOM 1429 CG LEU B 54 -8.953 -6.748 5.323 1.00 23.98 C ATOM 1430 CD1 LEU B 54 -9.372 -5.620 4.416 1.00 30.49 C ATOM 1431 CD2 LEU B 54 -9.910 -7.933 5.232 1.00 25.05 C ATOM 1432 H LEU B 54 -5.059 -8.057 4.905 1.00 0.00 H ATOM 1433 N LYS B 55 -6.381 -5.176 7.336 1.00 22.36 N ATOM 1434 CA LYS B 55 -6.418 -4.968 8.782 1.00 22.75 C ATOM 1435 C LYS B 55 -7.810 -5.342 9.324 1.00 20.78 C ATOM 1436 O LYS B 55 -8.823 -4.888 8.753 1.00 21.14 O ATOM 1437 CB LYS B 55 -6.158 -3.470 9.001 1.00 22.99 C ATOM 1438 CG LYS B 55 -4.669 -3.093 8.782 1.00 25.16 C ATOM 1439 CD LYS B 55 -3.961 -3.026 10.131 1.00 34.33 C ATOM 1440 CE LYS B 55 -2.869 -1.941 10.174 1.00 35.08 C ATOM 1441 NZ LYS B 55 -3.308 -0.685 10.864 1.00 37.81 N ATOM 1442 HZ1 LYS B 55 -4.128 -0.285 10.365 1.00 0.00 H ATOM 1443 HZ2 LYS B 55 -3.571 -0.904 11.846 1.00 0.00 H ATOM 1444 HZ3 LYS B 55 -2.528 0.003 10.858 1.00 0.00 H ATOM 1445 H LYS B 55 -6.562 -4.359 6.719 1.00 0.00 H ATOM 1446 N VAL B 56 -7.862 -6.160 10.377 1.00 20.39 N ATOM 1447 CA VAL B 56 -9.126 -6.591 10.957 1.00 18.42 C ATOM 1448 C VAL B 56 -9.134 -6.540 12.524 1.00 18.98 C ATOM 1449 O VAL B 56 -8.074 -6.535 13.173 1.00 19.22 O ATOM 1450 CB VAL B 56 -9.462 -8.029 10.469 1.00 18.79 C ATOM 1451 CG1 VAL B 56 -9.627 -8.159 8.914 1.00 20.34 C ATOM 1452 CG2 VAL B 56 -8.483 -9.025 11.016 1.00 17.57 C ATOM 1453 H VAL B 56 -6.973 -6.500 10.796 1.00 0.00 H ATOM 1454 N ARG B 57 -10.327 -6.615 13.069 1.00 15.91 N ATOM 1455 CA ARG B 57 -10.536 -6.943 14.448 1.00 15.87 C ATOM 1456 C ARG B 57 -10.918 -8.392 14.599 1.00 13.14 C ATOM 1457 O ARG B 57 -11.770 -8.898 13.858 1.00 15.36 O ATOM 1458 CB ARG B 57 -11.676 -6.084 15.006 1.00 15.42 C ATOM 1459 CG ARG B 57 -11.432 -4.601 14.978 1.00 19.03 C ATOM 1460 CD ARG B 57 -12.695 -3.960 15.563 1.00 24.61 C ATOM 1461 NE ARG B 57 -12.564 -2.542 15.715 1.00 30.19 N ATOM 1462 CZ ARG B 57 -13.474 -1.828 16.365 1.00 29.80 C ATOM 1463 NH1 ARG B 57 -14.523 -2.466 16.934 1.00 33.59 N ATOM 1464 NH2 ARG B 57 -13.234 -0.535 16.540 1.00 35.32 N ATOM 1465 HE ARG B 57 -11.737 -2.061 15.307 1.00 0.00 H ATOM 1466 HH12 ARG B 57 -15.246 -1.922 17.447 1.00 0.00 H ATOM 1467 HH11 ARG B 57 -14.606 -3.500 16.858 1.00 0.00 H ATOM 1468 HH22 ARG B 57 -13.923 0.058 17.045 1.00 0.00 H ATOM 1469 HH21 ARG B 57 -12.357 -0.115 16.173 1.00 0.00 H ATOM 1470 H ARG B 57 -11.158 -6.428 12.472 1.00 0.00 H ATOM 1471 N GLU B 58 -10.352 -9.086 15.562 1.00 13.34 N ATOM 1472 CA GLU B 58 -10.706 -10.478 15.785 1.00 12.35 C ATOM 1473 C GLU B 58 -11.618 -10.628 16.995 1.00 12.08 C ATOM 1474 O GLU B 58 -11.209 -10.218 18.109 1.00 14.62 O ATOM 1475 CB GLU B 58 -9.430 -11.298 16.040 1.00 15.77 C ATOM 1476 CG GLU B 58 -9.757 -12.712 16.284 1.00 17.83 C ATOM 1477 CD GLU B 58 -8.524 -13.493 16.640 1.00 27.55 C ATOM 1478 OE1 GLU B 58 -7.388 -13.047 16.248 1.00 36.41 O ATOM 1479 OE2 GLU B 58 -8.614 -14.522 17.283 1.00 27.50 O ATOM 1480 H GLU B 58 -9.642 -8.633 16.172 1.00 0.00 H ATOM 1481 N TYR B 59 -12.815 -11.135 16.806 1.00 12.99 N ATOM 1482 CA TYR B 59 -13.755 -11.453 17.885 1.00 13.73 C ATOM 1483 C TYR B 59 -13.888 -12.927 18.055 1.00 14.30 C ATOM 1484 O TYR B 59 -14.053 -13.678 17.120 1.00 14.52 O ATOM 1485 CB TYR B 59 -15.102 -10.910 17.508 1.00 14.62 C ATOM 1486 CG TYR B 59 -15.205 -9.400 17.545 1.00 12.59 C ATOM 1487 CD1 TYR B 59 -14.872 -8.613 16.417 1.00 14.88 C ATOM 1488 CD2 TYR B 59 -15.600 -8.744 18.723 1.00 14.02 C ATOM 1489 CE1 TYR B 59 -14.967 -7.247 16.412 1.00 16.27 C ATOM 1490 CE2 TYR B 59 -15.677 -7.371 18.767 1.00 15.80 C ATOM 1491 CZ TYR B 59 -15.403 -6.608 17.637 1.00 15.77 C ATOM 1492 OH TYR B 59 -15.534 -5.256 17.690 1.00 16.87 O ATOM 1493 HH TYR B 59 -16.469 -5.025 17.918 1.00 0.00 H ATOM 1494 H TYR B 59 -13.115 -11.323 15.828 1.00 0.00 H ATOM 1495 N ASP B 60 -13.746 -13.382 19.286 1.00 18.10 N ATOM 1496 CA ASP B 60 -13.875 -14.810 19.605 1.00 23.40 C ATOM 1497 C ASP B 60 -15.299 -15.154 20.100 1.00 23.17 C ATOM 1498 O ASP B 60 -16.042 -14.297 20.660 1.00 24.06 O ATOM 1499 CB ASP B 60 -12.840 -15.267 20.690 1.00 25.01 C ATOM 1500 CG ASP B 60 -11.443 -15.249 20.190 1.00 28.22 C ATOM 1501 OD1 ASP B 60 -11.151 -15.253 18.952 1.00 31.46 O ATOM 1502 OD2 ASP B 60 -10.599 -15.244 21.077 1.00 40.41 O ATOM 1503 H ASP B 60 -13.537 -12.710 20.052 1.00 0.00 H ATOM 1504 N GLN B 61 -15.674 -16.427 19.971 1.00 25.53 N ATOM 1505 CA GLN B 61 -16.982 -16.868 20.516 1.00 26.32 C ATOM 1506 C GLN B 61 -18.221 -16.074 20.010 1.00 26.37 C ATOM 1507 O GLN B 61 -19.141 -15.725 20.762 1.00 29.29 O ATOM 1508 CB GLN B 61 -16.988 -17.038 22.084 1.00 30.62 C ATOM 1509 CG GLN B 61 -15.899 -17.999 22.693 1.00 35.38 C ATOM 1510 CD GLN B 61 -15.161 -19.013 21.738 1.00 45.92 C ATOM 1511 OE1 GLN B 61 -15.768 -19.980 21.187 1.00 49.12 O ATOM 1512 NE2 GLN B 61 -13.821 -18.825 21.596 1.00 49.61 N ATOM 1513 HE22 GLN B 61 -13.356 -18.020 22.063 1.00 0.00 H ATOM 1514 HE21 GLN B 61 -13.261 -19.486 21.021 1.00 0.00 H ATOM 1515 H GLN B 61 -15.052 -17.108 19.490 1.00 0.00 H ATOM 1516 N VAL B 62 -18.305 -15.842 18.701 1.00 19.74 N ATOM 1517 CA VAL B 62 -19.389 -15.058 18.067 1.00 18.42 C ATOM 1518 C VAL B 62 -20.401 -16.093 17.502 1.00 15.80 C ATOM 1519 O VAL B 62 -19.972 -17.036 16.835 1.00 17.18 O ATOM 1520 CB VAL B 62 -18.855 -14.287 16.849 1.00 15.53 C ATOM 1521 CG1 VAL B 62 -19.980 -13.544 16.076 1.00 17.42 C ATOM 1522 CG2 VAL B 62 -17.746 -13.252 17.243 1.00 17.52 C ATOM 1523 H VAL B 62 -17.564 -16.236 18.087 1.00 0.00 H ATOM 1524 N PRO B 63 -21.657 -16.092 17.919 1.00 16.14 N ATOM 1525 CA PRO B 63 -22.592 -17.000 17.261 1.00 16.38 C ATOM 1526 C PRO B 63 -22.732 -16.637 15.755 1.00 14.89 C ATOM 1527 O PRO B 63 -22.720 -15.448 15.405 1.00 16.25 O ATOM 1528 CB PRO B 63 -23.882 -16.763 18.047 1.00 17.00 C ATOM 1529 CG PRO B 63 -23.375 -16.261 19.422 1.00 15.52 C ATOM 1530 CD PRO B 63 -22.063 -15.671 19.273 1.00 16.19 C ATOM 1531 N ILE B 64 -22.861 -17.682 14.918 1.00 14.62 N ATOM 1532 CA ILE B 64 -23.046 -17.701 13.454 1.00 14.26 C ATOM 1533 C ILE B 64 -24.051 -18.779 13.147 1.00 14.83 C ATOM 1534 O ILE B 64 -23.898 -19.914 13.556 1.00 17.89 O ATOM 1535 CB ILE B 64 -21.744 -18.073 12.714 1.00 16.41 C ATOM 1536 CG1 ILE B 64 -20.556 -17.253 13.172 1.00 18.53 C ATOM 1537 CG2 ILE B 64 -21.967 -18.041 11.217 1.00 20.49 C ATOM 1538 CD1 ILE B 64 -19.191 -17.858 12.769 1.00 23.87 C ATOM 1539 H ILE B 64 -22.825 -18.618 15.371 1.00 0.00 H ATOM 1540 N GLU B 65 -25.119 -18.397 12.486 1.00 15.87 N ATOM 1541 CA GLU B 65 -26.139 -19.314 11.992 1.00 17.42 C ATOM 1542 C GLU B 65 -25.919 -19.514 10.536 1.00 17.00 C ATOM 1543 O GLU B 65 -25.882 -18.521 9.725 1.00 17.37 O ATOM 1544 CB GLU B 65 -27.523 -18.791 12.223 1.00 19.26 C ATOM 1545 CG GLU B 65 -27.783 -18.530 13.691 1.00 23.13 C ATOM 1546 CD GLU B 65 -29.175 -18.080 13.949 1.00 27.80 C ATOM 1547 OE1 GLU B 65 -29.985 -18.114 12.987 1.00 29.22 O ATOM 1548 OE2 GLU B 65 -29.465 -17.636 15.076 1.00 34.83 O ATOM 1549 H GLU B 65 -25.245 -17.381 12.304 1.00 0.00 H ATOM 1550 N ILE B 66 -25.705 -20.761 10.188 1.00 17.22 N ATOM 1551 CA ILE B 66 -25.296 -21.076 8.814 1.00 18.79 C ATOM 1552 C ILE B 66 -25.710 -22.526 8.464 1.00 20.31 C ATOM 1553 O ILE B 66 -25.557 -23.453 9.235 1.00 20.63 O ATOM 1554 CB ILE B 66 -23.782 -20.927 8.669 1.00 16.46 C ATOM 1555 CG1 ILE B 66 -23.338 -21.367 7.291 1.00 19.83 C ATOM 1556 CG2 ILE B 66 -23.029 -21.772 9.769 1.00 21.39 C ATOM 1557 CD1 ILE B 66 -21.837 -21.111 6.954 1.00 19.96 C ATOM 1558 H ILE B 66 -25.825 -21.524 10.884 1.00 0.00 H ATOM 1559 N CYS B 67 -26.408 -22.624 7.370 1.00 21.62 N ATOM 1560 CA CYS B 67 -26.819 -23.934 6.767 1.00 24.31 C ATOM 1561 C CYS B 67 -27.600 -24.752 7.787 1.00 25.12 C ATOM 1562 O CYS B 67 -27.456 -26.015 7.891 1.00 25.26 O ATOM 1563 CB CYS B 67 -25.555 -24.711 6.253 1.00 26.05 C ATOM 1564 H CYS B 67 -26.696 -21.748 6.889 1.00 0.00 H ATOM 1565 N GLY B 68 -28.432 -24.058 8.564 1.00 25.72 N ATOM 1566 CA GLY B 68 -29.301 -24.712 9.556 1.00 25.71 C ATOM 1567 C GLY B 68 -28.566 -25.119 10.848 1.00 25.54 C ATOM 1568 O GLY B 68 -29.138 -25.823 11.714 1.00 29.09 O ATOM 1569 H GLY B 68 -28.468 -23.023 8.466 1.00 0.00 H ATOM 1570 N HIS B 69 -27.311 -24.691 11.015 1.00 23.46 N ATOM 1571 CA HIS B 69 -26.557 -25.003 12.175 1.00 24.47 C ATOM 1572 C HIS B 69 -26.319 -23.677 12.889 1.00 22.26 C ATOM 1573 O HIS B 69 -26.284 -22.595 12.284 1.00 25.60 O ATOM 1574 CB HIS B 69 -25.174 -25.554 11.769 1.00 26.36 C ATOM 1575 CG HIS B 69 -25.199 -26.902 11.159 1.00 30.12 C ATOM 1576 ND1 HIS B 69 -25.472 -27.124 9.821 1.00 31.79 N ATOM 1577 CD2 HIS B 69 -24.889 -28.112 11.687 1.00 36.22 C ATOM 1578 CE1 HIS B 69 -25.382 -28.414 9.560 1.00 35.31 C ATOM 1579 NE2 HIS B 69 -25.050 -29.041 10.677 1.00 39.76 N ATOM 1580 H HIS B 69 -26.874 -24.111 10.271 1.00 0.00 H ATOM 1581 N LYS B 70 -26.134 -23.756 14.165 1.00 25.17 N ATOM 1582 CA LYS B 70 -25.727 -22.659 14.939 1.00 24.88 C ATOM 1583 C LYS B 70 -24.393 -23.051 15.480 1.00 23.42 C ATOM 1584 O LYS B 70 -24.195 -24.116 16.134 1.00 26.73 O ATOM 1585 CB LYS B 70 -26.739 -22.421 16.054 1.00 28.71 C ATOM 1586 CG LYS B 70 -28.122 -21.909 15.558 1.00 34.51 C ATOM 1587 CD LYS B 70 -29.159 -21.862 16.756 1.00 41.87 C ATOM 1588 CE LYS B 70 -30.025 -23.162 16.918 1.00 44.67 C ATOM 1589 NZ LYS B 70 -30.180 -23.701 18.330 1.00 49.97 N ATOM 1590 HZ1 LYS B 70 -29.243 -23.933 18.716 1.00 0.00 H ATOM 1591 HZ2 LYS B 70 -30.633 -22.980 18.927 1.00 0.00 H ATOM 1592 HZ3 LYS B 70 -30.770 -24.557 18.310 1.00 0.00 H ATOM 1593 H LYS B 70 -26.293 -24.669 14.637 1.00 0.00 H ATOM 1594 N VAL B 71 -23.453 -22.212 15.220 1.00 21.55 N ATOM 1595 CA VAL B 71 -22.051 -22.470 15.533 1.00 23.47 C ATOM 1596 C VAL B 71 -21.628 -21.244 16.379 1.00 19.78 C ATOM 1597 O VAL B 71 -22.299 -20.190 16.365 1.00 21.63 O ATOM 1598 CB VAL B 71 -21.211 -22.525 14.147 1.00 25.60 C ATOM 1599 CG1 VAL B 71 -19.793 -21.923 14.250 1.00 28.65 C ATOM 1600 CG2 VAL B 71 -21.380 -23.929 13.562 1.00 28.34 C ATOM 1601 H VAL B 71 -23.703 -21.310 14.767 1.00 0.00 H ATOM 1602 N ILE B 72 -20.574 -21.394 17.196 1.00 20.51 N ATOM 1603 CA ILE B 72 -19.950 -20.249 17.875 1.00 19.88 C ATOM 1604 C ILE B 72 -18.457 -20.283 17.509 1.00 22.15 C ATOM 1605 O ILE B 72 -17.765 -21.253 17.837 1.00 23.13 O ATOM 1606 CB ILE B 72 -20.226 -20.229 19.447 1.00 22.27 C ATOM 1607 CG1 ILE B 72 -21.699 -19.878 19.706 1.00 22.69 C ATOM 1608 CG2 ILE B 72 -19.290 -19.215 20.129 1.00 19.88 C ATOM 1609 CD1 ILE B 72 -22.156 -20.237 21.018 1.00 26.79 C ATOM 1610 H ILE B 72 -20.188 -22.347 17.353 1.00 0.00 H ATOM 1611 N GLY B 73 -17.969 -19.250 16.826 1.00 19.98 N ATOM 1612 CA GLY B 73 -16.623 -19.274 16.209 1.00 21.91 C ATOM 1613 C GLY B 73 -15.979 -17.914 16.309 1.00 17.58 C ATOM 1614 O GLY B 73 -16.569 -16.975 16.756 1.00 18.40 O ATOM 1615 H GLY B 73 -18.553 -18.396 16.722 1.00 0.00 H ATOM 1616 N THR B 74 -14.762 -17.830 15.794 1.00 18.12 N ATOM 1617 CA THR B 74 -14.024 -16.617 15.648 1.00 17.30 C ATOM 1618 C THR B 74 -14.476 -15.932 14.381 1.00 14.15 C ATOM 1619 O THR B 74 -14.560 -16.575 13.327 1.00 15.47 O ATOM 1620 CB THR B 74 -12.515 -16.883 15.610 1.00 19.03 C ATOM 1621 OG1 THR B 74 -12.121 -17.399 16.855 1.00 25.96 O ATOM 1622 CG2 THR B 74 -11.717 -15.655 15.401 1.00 20.71 C ATOM 1623 HG1 THR B 74 -11.147 -17.576 16.844 1.00 0.00 H ATOM 1624 H THR B 74 -14.312 -18.711 15.473 1.00 0.00 H ATOM 1625 N VAL B 75 -14.640 -14.617 14.479 1.00 12.02 N ATOM 1626 CA VAL B 75 -14.955 -13.773 13.326 1.00 11.85 C ATOM 1627 C VAL B 75 -14.011 -12.649 13.239 1.00 10.02 C ATOM 1628 O VAL B 75 -13.812 -11.922 14.223 1.00 11.48 O ATOM 1629 CB VAL B 75 -16.433 -13.334 13.385 1.00 13.02 C ATOM 1630 CG1 VAL B 75 -16.729 -12.413 12.217 1.00 15.49 C ATOM 1631 CG2 VAL B 75 -17.370 -14.576 13.347 1.00 15.56 C ATOM 1632 H VAL B 75 -14.540 -14.170 15.413 1.00 0.00 H ATOM 1633 N LEU B 76 -13.438 -12.438 12.055 1.00 10.99 N ATOM 1634 CA LEU B 76 -12.654 -11.247 11.817 1.00 10.62 C ATOM 1635 C LEU B 76 -13.538 -10.193 11.162 1.00 10.86 C ATOM 1636 O LEU B 76 -14.390 -10.532 10.315 1.00 11.66 O ATOM 1637 CB LEU B 76 -11.490 -11.538 10.867 1.00 11.47 C ATOM 1638 CG LEU B 76 -10.585 -12.732 11.298 1.00 12.38 C ATOM 1639 CD1 LEU B 76 -9.521 -12.929 10.226 1.00 13.38 C ATOM 1640 CD2 LEU B 76 -10.054 -12.488 12.687 1.00 17.42 C ATOM 1641 H LEU B 76 -13.556 -13.137 11.294 1.00 0.00 H ATOM 1642 N VAL B 77 -13.378 -8.925 11.562 1.00 10.83 N ATOM 1643 CA VAL B 77 -14.153 -7.839 10.970 1.00 12.50 C ATOM 1644 C VAL B 77 -13.217 -6.839 10.339 1.00 12.95 C ATOM 1645 O VAL B 77 -12.332 -6.292 11.022 1.00 14.05 O ATOM 1646 CB VAL B 77 -15.026 -7.161 12.066 1.00 12.95 C ATOM 1647 CG1 VAL B 77 -15.831 -6.004 11.426 1.00 15.72 C ATOM 1648 CG2 VAL B 77 -15.959 -8.191 12.711 1.00 13.72 C ATOM 1649 H VAL B 77 -12.688 -8.710 12.309 1.00 0.00 H ATOM 1650 N GLY B 78 -13.417 -6.573 9.048 1.00 14.93 N ATOM 1651 CA GLY B 78 -12.599 -5.558 8.364 1.00 17.18 C ATOM 1652 C GLY B 78 -13.107 -5.439 6.949 1.00 17.99 C ATOM 1653 O GLY B 78 -14.000 -6.198 6.521 1.00 17.80 O ATOM 1654 H GLY B 78 -14.154 -7.085 8.522 1.00 0.00 H ATOM 1655 N PRO B 79 -12.534 -4.521 6.168 1.00 19.83 N ATOM 1656 CA PRO B 79 -13.150 -4.061 4.836 1.00 20.14 C ATOM 1657 C PRO B 79 -12.855 -4.989 3.655 1.00 19.46 C ATOM 1658 O PRO B 79 -12.344 -4.547 2.626 1.00 22.04 O ATOM 1659 CB PRO B 79 -12.588 -2.656 4.670 1.00 22.15 C ATOM 1660 CG PRO B 79 -11.198 -2.691 5.406 1.00 21.14 C ATOM 1661 CD PRO B 79 -11.439 -3.632 6.636 1.00 21.69 C ATOM 1662 N THR B 80 -13.072 -6.283 3.813 1.00 18.00 N ATOM 1663 CA THR B 80 -12.989 -7.247 2.757 1.00 16.23 C ATOM 1664 C THR B 80 -14.004 -6.919 1.653 1.00 18.95 C ATOM 1665 O THR B 80 -15.079 -6.474 1.943 1.00 18.93 O ATOM 1666 CB THR B 80 -13.283 -8.668 3.336 1.00 14.93 C ATOM 1667 OG1 THR B 80 -13.213 -9.604 2.229 1.00 17.86 O ATOM 1668 CG2 THR B 80 -14.643 -8.772 4.090 1.00 15.14 C ATOM 1669 HG1 THR B 80 -13.888 -9.358 1.547 1.00 0.00 H ATOM 1670 H THR B 80 -13.319 -6.623 4.764 1.00 0.00 H ATOM 1671 N PRO B 81 -13.661 -7.184 0.387 1.00 20.31 N ATOM 1672 CA PRO B 81 -14.584 -6.901 -0.685 1.00 20.04 C ATOM 1673 C PRO B 81 -15.782 -7.812 -0.729 1.00 17.47 C ATOM 1674 O PRO B 81 -16.792 -7.423 -1.278 1.00 18.29 O ATOM 1675 CB PRO B 81 -13.741 -7.233 -1.970 1.00 23.10 C ATOM 1676 CG PRO B 81 -12.407 -7.190 -1.554 1.00 26.21 C ATOM 1677 CD PRO B 81 -12.343 -7.560 -0.104 1.00 21.22 C ATOM 1678 N VAL B 82 -15.648 -9.026 -0.190 1.00 15.27 N ATOM 1679 CA VAL B 82 -16.800 -9.869 -0.045 1.00 13.89 C ATOM 1680 C VAL B 82 -16.616 -10.533 1.321 1.00 11.66 C ATOM 1681 O VAL B 82 -15.471 -10.692 1.844 1.00 11.83 O ATOM 1682 CB VAL B 82 -16.917 -10.934 -1.187 1.00 15.77 C ATOM 1683 CG1 VAL B 82 -15.853 -11.941 -1.091 1.00 15.92 C ATOM 1684 CG2 VAL B 82 -18.226 -11.577 -1.139 1.00 18.57 C ATOM 1685 H VAL B 82 -14.714 -9.359 0.123 1.00 0.00 H ATOM 1686 N ASN B 83 -17.747 -10.924 1.905 1.00 10.99 N ATOM 1687 CA ASN B 83 -17.684 -11.669 3.170 1.00 10.22 C ATOM 1688 C ASN B 83 -17.306 -13.104 2.881 1.00 9.81 C ATOM 1689 O ASN B 83 -17.778 -13.651 1.841 1.00 10.53 O ATOM 1690 CB ASN B 83 -19.011 -11.604 3.876 1.00 11.55 C ATOM 1691 CG ASN B 83 -19.404 -10.167 4.149 1.00 11.40 C ATOM 1692 OD1 ASN B 83 -18.561 -9.335 4.541 1.00 13.36 O ATOM 1693 ND2 ASN B 83 -20.726 -9.863 4.038 1.00 13.58 N ATOM 1694 HD22 ASN B 83 -21.399 -10.583 3.707 1.00 0.00 H ATOM 1695 HD21 ASN B 83 -21.063 -8.910 4.284 1.00 0.00 H ATOM 1696 H ASN B 83 -18.666 -10.704 1.470 1.00 0.00 H ATOM 1697 N VAL B 84 -16.423 -13.742 3.661 1.00 8.76 N ATOM 1698 CA VAL B 84 -16.103 -15.156 3.421 1.00 9.62 C ATOM 1699 C VAL B 84 -16.221 -15.980 4.664 1.00 10.25 C ATOM 1700 O VAL B 84 -15.725 -15.600 5.762 1.00 10.34 O ATOM 1701 CB VAL B 84 -14.667 -15.394 2.865 1.00 9.47 C ATOM 1702 CG1 VAL B 84 -14.509 -14.788 1.482 1.00 10.44 C ATOM 1703 CG2 VAL B 84 -13.668 -14.747 3.828 1.00 9.46 C ATOM 1704 H VAL B 84 -15.961 -13.233 4.442 1.00 0.00 H ATOM 1705 N ILE B 85 -16.765 -17.165 4.438 1.00 10.50 N ATOM 1706 CA ILE B 85 -16.829 -18.233 5.437 1.00 11.03 C ATOM 1707 C ILE B 85 -15.642 -19.110 5.202 1.00 10.80 C ATOM 1708 O ILE B 85 -15.514 -19.765 4.141 1.00 13.24 O ATOM 1709 CB ILE B 85 -18.146 -19.054 5.317 1.00 12.40 C ATOM 1710 CG1 ILE B 85 -19.426 -18.195 5.344 1.00 15.06 C ATOM 1711 CG2 ILE B 85 -18.134 -20.172 6.343 1.00 13.65 C ATOM 1712 CD1 ILE B 85 -19.483 -17.239 6.544 1.00 15.05 C ATOM 1713 H ILE B 85 -17.170 -17.348 3.498 1.00 0.00 H ATOM 1714 N GLY B 86 -14.750 -19.148 6.187 1.00 11.05 N ATOM 1715 CA GLY B 86 -13.504 -19.942 6.030 1.00 11.47 C ATOM 1716 C GLY B 86 -13.631 -21.318 6.642 1.00 9.67 C ATOM 1717 O GLY B 86 -14.682 -21.743 7.128 1.00 10.99 O ATOM 1718 H GLY B 86 -14.924 -18.622 7.067 1.00 0.00 H ATOM 1719 N ARG B 87 -12.509 -22.033 6.594 1.00 10.46 N ATOM 1720 CA ARG B 87 -12.428 -23.418 7.055 1.00 10.52 C ATOM 1721 C ARG B 87 -12.715 -23.485 8.539 1.00 11.79 C ATOM 1722 O ARG B 87 -13.250 -24.529 8.976 1.00 12.51 O ATOM 1723 CB ARG B 87 -11.075 -24.012 6.736 1.00 10.63 C ATOM 1724 CG ARG B 87 -10.887 -24.242 5.204 1.00 10.80 C ATOM 1725 CD ARG B 87 -9.678 -25.009 4.866 1.00 11.84 C ATOM 1726 NE ARG B 87 -8.457 -24.371 5.406 1.00 12.64 N ATOM 1727 CZ ARG B 87 -7.839 -24.638 6.571 1.00 12.98 C ATOM 1728 NH1 ARG B 87 -8.179 -25.720 7.329 1.00 13.71 N ATOM 1729 NH2 ARG B 87 -6.789 -23.888 6.921 1.00 14.64 N ATOM 1730 HE ARG B 87 -8.026 -23.630 4.817 1.00 0.00 H ATOM 1731 HH12 ARG B 87 -7.685 -25.903 8.226 1.00 0.00 H ATOM 1732 HH11 ARG B 87 -8.932 -26.362 7.010 1.00 0.00 H ATOM 1733 HH22 ARG B 87 -6.293 -24.073 7.816 1.00 0.00 H ATOM 1734 HH21 ARG B 87 -6.468 -23.120 6.298 1.00 0.00 H ATOM 1735 H ARG B 87 -11.651 -21.586 6.211 1.00 0.00 H ATOM 1736 N ASP B 88 -12.352 -22.457 9.331 1.00 11.63 N ATOM 1737 CA ASP B 88 -12.657 -22.480 10.760 1.00 14.70 C ATOM 1738 C ASP B 88 -14.171 -22.668 11.013 1.00 14.48 C ATOM 1739 O ASP B 88 -14.551 -23.390 11.925 1.00 20.49 O ATOM 1740 CB ASP B 88 -12.137 -21.261 11.443 1.00 16.52 C ATOM 1741 CG ASP B 88 -12.624 -19.960 10.867 1.00 17.85 C ATOM 1742 OD1 ASP B 88 -13.235 -19.859 9.772 1.00 17.86 O ATOM 1743 OD2 ASP B 88 -12.251 -18.892 11.465 1.00 30.40 O ATOM 1744 H ASP B 88 -11.852 -21.642 8.923 1.00 0.00 H ATOM 1745 N THR B 89 -15.048 -22.064 10.223 1.00 12.66 N ATOM 1746 CA THR B 89 -16.459 -22.222 10.393 1.00 12.78 C ATOM 1747 C THR B 89 -16.942 -23.494 9.649 1.00 11.83 C ATOM 1748 O THR B 89 -17.814 -24.234 10.133 1.00 13.16 O ATOM 1749 CB THR B 89 -17.189 -21.026 9.806 1.00 12.68 C ATOM 1750 OG1 THR B 89 -16.764 -19.831 10.480 1.00 14.71 O ATOM 1751 CG2 THR B 89 -18.657 -21.139 9.972 1.00 15.23 C ATOM 1752 HG1 THR B 89 -15.788 -19.715 10.360 1.00 0.00 H ATOM 1753 H THR B 89 -14.698 -21.456 9.455 1.00 0.00 H ATOM 1754 N MET B 90 -16.432 -23.740 8.431 1.00 10.13 N ATOM 1755 CA MET B 90 -16.933 -24.875 7.650 1.00 11.55 C ATOM 1756 C MET B 90 -16.612 -26.208 8.292 1.00 12.60 C ATOM 1757 O MET B 90 -17.428 -27.116 8.190 1.00 13.24 O ATOM 1758 CB MET B 90 -16.369 -24.846 6.242 1.00 13.64 C ATOM 1759 CG MET B 90 -16.981 -23.684 5.387 1.00 15.64 C ATOM 1760 SD MET B 90 -16.645 -23.836 3.658 1.00 17.25 S ATOM 1761 CE MET B 90 -15.058 -23.242 3.663 1.00 13.75 C ATOM 1762 H MET B 90 -15.685 -23.128 8.044 1.00 0.00 H ATOM 1763 N THR B 91 -15.512 -26.338 9.010 1.00 11.84 N ATOM 1764 CA THR B 91 -15.246 -27.584 9.721 1.00 13.52 C ATOM 1765 C THR B 91 -16.297 -27.824 10.807 1.00 14.60 C ATOM 1766 O THR B 91 -16.564 -28.999 11.158 1.00 16.67 O ATOM 1767 CB THR B 91 -13.814 -27.621 10.332 1.00 13.11 C ATOM 1768 OG1 THR B 91 -13.621 -26.480 11.169 1.00 15.15 O ATOM 1769 CG2 THR B 91 -12.741 -27.751 9.292 1.00 14.42 C ATOM 1770 HG1 THR B 91 -13.729 -25.656 10.631 1.00 0.00 H ATOM 1771 H THR B 91 -14.834 -25.551 9.069 1.00 0.00 H ATOM 1772 N GLN B 92 -16.793 -26.760 11.406 1.00 13.99 N ATOM 1773 CA GLN B 92 -17.738 -26.957 12.487 1.00 14.98 C ATOM 1774 C GLN B 92 -19.065 -27.530 11.977 1.00 15.34 C ATOM 1775 O GLN B 92 -19.782 -28.111 12.798 1.00 17.20 O ATOM 1776 CB GLN B 92 -17.901 -25.694 13.329 1.00 16.43 C ATOM 1777 CG GLN B 92 -16.591 -25.226 13.945 1.00 20.55 C ATOM 1778 CD GLN B 92 -15.930 -26.302 14.759 1.00 26.58 C ATOM 1779 OE1 GLN B 92 -16.384 -26.580 15.876 1.00 31.57 O ATOM 1780 NE2 GLN B 92 -14.854 -26.931 14.220 1.00 29.40 N ATOM 1781 HE22 GLN B 92 -14.512 -26.659 13.276 1.00 0.00 H ATOM 1782 HE21 GLN B 92 -14.372 -27.684 14.751 1.00 0.00 H ATOM 1783 H GLN B 92 -16.513 -25.803 11.110 1.00 0.00 H ATOM 1784 N ILE B 93 -19.403 -27.339 10.659 1.00 16.16 N ATOM 1785 CA ILE B 93 -20.638 -27.880 10.057 1.00 18.63 C ATOM 1786 C ILE B 93 -20.381 -29.131 9.202 1.00 17.43 C ATOM 1787 O ILE B 93 -21.257 -29.622 8.471 1.00 23.03 O ATOM 1788 CB ILE B 93 -21.450 -26.785 9.311 1.00 19.41 C ATOM 1789 CG1 ILE B 93 -20.710 -26.308 8.053 1.00 19.22 C ATOM 1790 CG2 ILE B 93 -21.853 -25.689 10.305 1.00 21.78 C ATOM 1791 CD1 ILE B 93 -21.565 -25.365 7.225 1.00 21.63 C ATOM 1792 H ILE B 93 -18.759 -26.787 10.057 1.00 0.00 H ATOM 1793 N GLY B 94 -19.171 -29.642 9.288 1.00 15.94 N ATOM 1794 CA GLY B 94 -18.782 -30.854 8.639 1.00 16.71 C ATOM 1795 C GLY B 94 -18.743 -30.745 7.106 1.00 15.06 C ATOM 1796 O GLY B 94 -18.999 -31.755 6.439 1.00 18.67 O ATOM 1797 H GLY B 94 -18.462 -29.138 9.858 1.00 0.00 H ATOM 1798 N CYS B 95 -18.432 -29.593 6.563 1.00 15.30 N ATOM 1799 CA CYS B 95 -18.407 -29.439 5.112 1.00 14.58 C ATOM 1800 C CYS B 95 -17.288 -30.276 4.453 1.00 14.76 C ATOM 1801 O CYS B 95 -16.213 -30.463 5.042 1.00 15.77 O ATOM 1802 CB CYS B 95 -18.182 -27.947 4.777 1.00 15.46 C ATOM 1803 H CYS B 95 -18.201 -28.782 7.172 1.00 0.00 H ATOM 1804 N THR B 96 -17.550 -30.788 3.241 1.00 13.09 N ATOM 1805 CA THR B 96 -16.572 -31.533 2.527 1.00 13.75 C ATOM 1806 C THR B 96 -16.533 -31.046 1.073 1.00 14.13 C ATOM 1807 O THR B 96 -17.511 -30.522 0.558 1.00 14.13 O ATOM 1808 CB THR B 96 -16.889 -33.054 2.537 1.00 16.03 C ATOM 1809 OG1 THR B 96 -18.182 -33.304 2.008 1.00 19.10 O ATOM 1810 CG2 THR B 96 -16.786 -33.639 3.934 1.00 18.43 C ATOM 1811 HG1 THR B 96 -18.361 -34.277 2.024 1.00 0.00 H ATOM 1812 H THR B 96 -18.487 -30.637 2.815 1.00 0.00 H ATOM 1813 N LEU B 97 -15.360 -31.198 0.460 1.00 13.53 N ATOM 1814 CA LEU B 97 -15.170 -31.093 -1.026 1.00 13.31 C ATOM 1815 C LEU B 97 -15.223 -32.471 -1.651 1.00 13.16 C ATOM 1816 O LEU B 97 -14.674 -33.439 -1.152 1.00 12.62 O ATOM 1817 CB LEU B 97 -13.783 -30.483 -1.378 1.00 14.33 C ATOM 1818 CG LEU B 97 -13.711 -28.955 -1.474 1.00 13.40 C ATOM 1819 CD1 LEU B 97 -12.320 -28.373 -1.490 1.00 12.49 C ATOM 1820 CD2 LEU B 97 -14.558 -28.343 -2.618 1.00 13.69 C ATOM 1821 H LEU B 97 -14.525 -31.402 1.046 1.00 0.00 H ATOM 1822 N ASN B 98 -15.885 -32.567 -2.790 1.00 14.43 N ATOM 1823 CA ASN B 98 -15.786 -33.781 -3.590 1.00 15.38 C ATOM 1824 C ASN B 98 -15.185 -33.365 -4.941 1.00 17.12 C ATOM 1825 O ASN B 98 -15.687 -32.418 -5.557 1.00 18.90 O ATOM 1826 CB ASN B 98 -17.209 -34.292 -3.891 1.00 17.64 C ATOM 1827 CG ASN B 98 -18.001 -34.646 -2.669 1.00 26.41 C ATOM 1828 OD1 ASN B 98 -17.559 -35.334 -1.777 1.00 24.98 O ATOM 1829 ND2 ASN B 98 -19.288 -34.272 -2.717 1.00 37.05 N ATOM 1830 HD22 ASN B 98 -19.629 -33.680 -3.501 1.00 0.00 H ATOM 1831 HD21 ASN B 98 -19.945 -34.574 -1.970 1.00 0.00 H ATOM 1832 H ASN B 98 -16.477 -31.776 -3.116 1.00 0.00 H ATOM 1833 N PHE B 99 -14.170 -34.096 -5.422 1.00 21.08 N ATOM 1834 CA PHE B 99 -13.568 -33.751 -6.743 1.00 22.71 C ATOM 1835 C PHE B 99 -12.917 -34.999 -7.321 1.00 27.51 C ATOM 1836 O PHE B 99 -13.175 -36.108 -6.803 1.00 27.80 O ATOM 1837 CB PHE B 99 -12.527 -32.628 -6.582 1.00 24.89 C ATOM 1838 CG PHE B 99 -11.365 -32.975 -5.687 1.00 23.83 C ATOM 1839 CD1 PHE B 99 -11.481 -32.911 -4.265 1.00 24.62 C ATOM 1840 CD2 PHE B 99 -10.123 -33.347 -6.212 1.00 26.05 C ATOM 1841 CE1 PHE B 99 -10.439 -33.263 -3.478 1.00 27.64 C ATOM 1842 CE2 PHE B 99 -9.041 -33.646 -5.374 1.00 26.60 C ATOM 1843 CZ PHE B 99 -9.180 -33.609 -4.029 1.00 26.95 C ATOM 1844 OXT PHE B 99 -12.210 -34.893 -8.354 1.00 30.26 O ATOM 1845 H PHE B 99 -13.803 -34.902 -4.876 1.00 0.00 H TER 1846 PHE B 99 HETATM 1847 O HOH 1 6.856 -14.547 -8.220 1.00 18.52 O HETATM 1848 O HOH 2 -13.282 -40.485 -0.943 1.00 43.96 O HETATM 1849 O HOH 3 -18.914 -36.962 4.322 1.00 37.69 O HETATM 1850 O HOH 4 -9.570 -5.815 -3.584 1.00 39.45 O HETATM 1851 O HOH 5 -0.678 -31.366 -2.805 1.00 29.34 O HETATM 1852 O HOH 6 -0.419 -35.169 -4.126 1.00 29.85 O HETATM 1853 O HOH 7 4.871 -24.805 -20.262 1.00 16.24 O HETATM 1854 O HOH 8 -18.888 -27.727 -10.087 1.00 14.87 O HETATM 1855 O HOH 9 -13.592 -12.750 -11.799 1.00 35.05 O HETATM 1856 O HOH 10 9.287 -17.396 -5.946 1.00 23.00 O HETATM 1857 O HOH 11 8.278 -23.924 -13.033 1.00 29.76 O HETATM 1858 O HOH 12 4.610 -16.515 -22.977 1.00 19.53 O HETATM 1859 O HOH 13 6.525 -32.385 -17.812 1.00 39.88 O HETATM 1860 O HOH 14 -5.172 -14.850 -23.041 1.00 43.28 O HETATM 1861 O HOH 15 3.152 -12.660 -14.591 1.00 42.92 O HETATM 1862 O HOH 16 -3.594 -26.888 -24.914 1.00 41.25 O HETATM 1863 O HOH 17 -10.970 -29.109 -20.716 1.00 29.34 O HETATM 1864 O HOH 18 0.641 -17.604 -29.170 1.00 52.02 O HETATM 1865 O HOH 19 -8.287 -6.896 -15.475 1.00 34.73 O HETATM 1866 O HOH 20 -8.866 -32.386 6.348 1.00 19.48 O HETATM 1867 O HOH 21 7.540 -19.131 -22.049 1.00 41.00 O HETATM 1868 O HOH 22 -11.368 -39.674 -1.033 1.00 46.46 O HETATM 1869 O HOH 23 -0.532 -35.023 -12.984 1.00 28.80 O HETATM 1870 O HOH 24 8.247 -29.188 -12.421 1.00 24.81 O HETATM 1871 O HOH 25 -1.960 -34.191 -10.970 1.00 33.41 O HETATM 1872 O HOH 26 0.989 -7.059 -8.581 1.00 42.83 O HETATM 1873 O HOH 27 -3.264 -34.249 -4.846 1.00 26.22 O HETATM 1874 O HOH 28 -9.826 -35.251 4.122 1.00 17.36 O HETATM 1875 O HOH 29 -15.386 -32.363 8.921 1.00 19.03 O HETATM 1876 O HOH 30 -9.388 -37.408 2.325 1.00 38.89 O HETATM 1877 O HOH 31 4.315 -29.401 -21.229 1.00 33.93 O HETATM 1878 O HOH 32 5.001 -14.837 -10.798 1.00 23.56 O HETATM 1879 O HOH 33 1.309 -21.553 -27.247 1.00 58.86 O HETATM 1880 O HOH 34 2.911 -28.311 -21.726 1.00 34.99 O HETATM 1881 O HOH 35 -9.761 -5.308 -13.824 1.00 37.33 O HETATM 1882 O HOH 36 8.483 -17.915 -3.266 1.00 32.68 O HETATM 1883 O HOH 37 3.020 -25.695 -22.028 1.00 30.42 O HETATM 1884 O HOH 38 -7.636 -33.734 3.969 1.00 35.65 O HETATM 1885 O HOH 39 3.380 -7.899 -9.992 1.00 46.71 O HETATM 1886 O HOH 40 1.959 -8.815 -4.719 1.00 42.13 O HETATM 1887 O HOH 41 -0.463 -36.924 -6.098 1.00 31.64 O HETATM 1888 O HOH 42 -3.304 -39.413 -11.258 1.00 33.58 O HETATM 1889 O HOH 43 -6.652 -34.763 -1.742 1.00 39.99 O HETATM 1890 O HOH 44 9.065 -26.436 -11.917 1.00 34.04 O HETATM 1891 O HOH 45 0.481 -24.098 -22.419 1.00 30.87 O HETATM 1892 O HOH 46 -5.590 -35.412 -5.961 1.00 31.65 O HETATM 1893 O HOH 47 -12.062 -6.295 -12.201 1.00 36.46 O HETATM 1894 O HOH 48 -23.535 -15.831 -13.456 1.00 52.18 O HETATM 1895 O HOH 49 0.556 -29.957 -17.927 1.00 23.27 O HETATM 1896 O HOH 50 4.118 -25.422 -5.784 1.00 22.45 O HETATM 1897 O HOH 51 -15.399 -15.446 -5.868 1.00 18.70 O HETATM 1898 O HOH 52 0.869 -23.090 -3.645 1.00 19.64 O HETATM 1899 O HOH 53 -16.280 -18.102 -5.959 1.00 17.13 O HETATM 1900 O HOH 54 -7.974 -18.806 -14.652 1.00 25.60 O HETATM 1901 O HOH 55 4.547 -21.741 -7.685 1.00 25.06 O HETATM 1902 O HOH 56 0.406 -21.342 -22.788 1.00 22.69 O HETATM 1903 O HOH 57 -8.516 -30.303 3.122 1.00 20.10 O HETATM 1904 O HOH 58 -14.019 -23.030 -17.260 1.00 34.62 O HETATM 1905 O HOH 59 -2.958 -20.491 2.482 1.00 34.99 O HETATM 1906 O HOH 60 -15.138 -18.738 -12.755 1.00 26.11 O HETATM 1907 O HOH 61 -8.718 -22.553 9.796 1.00 25.59 O HETATM 1908 O HOH 62 -18.466 -34.047 -7.271 1.00 38.61 O HETATM 1909 O HOH 63 -4.616 -33.375 -8.262 1.00 26.23 O HETATM 1910 O HOH 64 -3.395 -17.177 -24.374 1.00 25.11 O HETATM 1911 O HOH 65 -6.804 -32.026 2.094 1.00 25.85 O HETATM 1912 O HOH 66 2.391 -19.271 -4.928 1.00 25.35 O HETATM 1913 O HOH 67 -1.942 -20.404 -23.561 1.00 29.90 O HETATM 1914 O HOH 68 1.468 -11.675 -25.808 1.00 38.94 O HETATM 1915 O HOH 69 -9.066 -23.106 -15.842 1.00 29.76 O HETATM 1916 O HOH 70 -3.937 -36.002 -11.693 1.00 38.25 O HETATM 1917 O HOH 71 -3.988 -18.158 -27.032 1.00 48.58 O HETATM 1918 O HOH 72 -0.388 -18.890 -25.152 1.00 24.32 O HETATM 1919 O HOH 73 -19.868 -34.811 -5.988 1.00 16.62 O HETATM 1920 O HOH 74 -6.632 -32.261 -0.797 1.00 39.24 O HETATM 1921 O HOH 75 -9.069 -16.085 -15.767 1.00 32.17 O HETATM 1922 O HOH 76 -4.849 -31.804 -20.211 1.00 38.88 O HETATM 1923 O HOH 77 -4.369 -36.008 -14.277 1.00 37.66 O HETATM 1924 O HOH 78 -10.835 -22.059 -17.546 1.00 42.70 O HETATM 1925 O HOH 79 -13.674 -35.700 -10.497 1.00 40.39 O HETATM 1926 O HOH 80 -8.947 -21.345 -22.091 1.00 44.54 O HETATM 1927 O HOH 81 -1.986 -11.318 -26.857 1.00 39.86 O HETATM 1928 O HOH 82 5.032 -17.409 -18.756 1.00 42.31 O HETATM 1929 O HOH 83 -16.097 -24.682 -16.762 1.00 43.04 O HETATM 1930 O HOH 84 6.972 -27.162 -7.545 1.00 41.73 O HETATM 1931 O HOH 85 6.115 -16.797 -13.706 1.00 37.97 O HETATM 1932 O HOH 86 -4.229 -14.373 -25.808 1.00 37.81 O HETATM 1933 O HOH 87 0.667 -9.266 -24.327 1.00 48.15 O HETATM 1934 O HOH 88 -16.865 -26.178 -18.642 1.00 50.04 O HETATM 1935 O HOH 89 -3.996 -31.308 1.186 1.00 33.45 O HETATM 1936 O HOH 90 -24.592 -2.794 16.635 1.00 19.44 O HETATM 1937 O HOH 91 -1.928 -4.492 -3.664 1.00 30.52 O HETATM 1938 O HOH 92 -24.876 -4.845 10.134 1.00 28.65 O HETATM 1939 O HOH 93 -23.236 -26.420 16.002 1.00 44.21 O HETATM 1940 O HOH 94 -26.861 -16.262 -0.090 1.00 28.26 O HETATM 1941 O HOH 95 -4.907 -14.350 15.394 1.00 25.71 O HETATM 1942 O HOH 96 -16.346 -12.820 -5.459 1.00 35.55 O HETATM 1943 O HOH 97 -10.462 -4.643 0.743 1.00 37.34 O HETATM 1944 O HOH 98 1.110 -11.182 -3.842 1.00 35.99 O HETATM 1945 O HOH 99 -14.612 -30.234 7.164 1.00 15.01 O HETATM 1946 O HOH 100 -4.229 -18.055 8.728 1.00 38.37 O HETATM 1947 O HOH 101 -23.921 -8.151 17.373 1.00 21.06 O HETATM 1948 O HOH 102 -22.387 -13.809 -7.643 1.00 42.86 O HETATM 1949 O HOH 103 -16.616 -4.318 20.049 1.00 20.17 O HETATM 1950 O HOH 104 -22.395 -35.005 -7.270 1.00 36.06 O HETATM 1951 O HOH 105 -12.333 -3.611 11.582 1.00 42.04 O HETATM 1952 O HOH 106 -9.412 -17.445 17.289 1.00 30.42 O HETATM 1953 O HOH 107 -25.686 -1.937 16.086 1.00 6.83 O HETATM 1954 O HOH 108 -31.427 -10.475 14.770 1.00 40.70 O HETATM 1955 O HOH 109 -15.641 -31.098 9.583 1.00 12.78 O HETATM 1956 O HOH 110 -19.719 -24.022 17.802 1.00 31.09 O HETATM 1957 O HOH 111 -23.620 -23.879 -9.273 1.00 19.33 O HETATM 1958 O HOH 112 -27.350 -20.269 -0.800 1.00 39.07 O HETATM 1959 O HOH 113 -6.532 -2.698 5.709 1.00 39.94 O HETATM 1960 O HOH 114 -27.951 -19.976 1.944 1.00 24.44 O HETATM 1961 O HOH 115 -29.412 -7.468 9.512 1.00 26.41 O HETATM 1962 O HOH 116 -1.827 -10.668 12.622 1.00 33.59 O HETATM 1963 O HOH 117 -27.635 -26.903 -5.203 1.00 38.50 O HETATM 1964 O HOH 118 -21.881 -16.227 -9.628 1.00 45.25 O HETATM 1965 O HOH 119 -25.628 -26.165 -7.039 1.00 16.75 O HETATM 1966 O HOH 120 -27.154 -26.484 15.121 1.00 53.23 O HETATM 1967 O HOH 121 -28.395 -31.570 -1.987 1.00 39.64 O HETATM 1968 O HOH 122 -15.986 -3.111 24.120 1.00 53.22 O HETATM 1969 O HOH 123 -25.334 -12.403 -3.802 1.00 48.59 O HETATM 1970 O HOH 124 -31.428 -25.102 7.010 1.00 54.71 O HETATM 1971 O HOH 125 -15.375 -3.135 7.890 1.00 19.73 O HETATM 1972 O HOH 126 -26.596 -11.380 18.857 1.00 69.87 O HETATM 1973 O HOH 127 -23.751 -10.249 19.173 1.00 28.70 O HETATM 1974 O HOH 128 -25.342 -23.481 -6.866 1.00 32.97 O HETATM 1975 O HOH 129 -26.229 -16.661 -4.861 1.00 51.64 O HETATM 1976 O HOH 130 -17.054 -5.022 26.783 1.00 45.29 O HETATM 1977 O HOH 131 -22.082 -1.711 18.289 1.00 37.14 O HETATM 1978 O HOH 132 -21.146 -11.621 19.512 1.00 30.58 O HETATM 1979 O HOH 133 -7.571 -23.134 3.053 1.00 16.54 O HETATM 1980 O HOH 134 -5.721 -21.075 2.950 1.00 18.14 O HETATM 1981 O HOH 135 -24.050 -9.062 2.936 1.00 21.97 O HETATM 1982 O HOH 136 -10.759 -10.350 -9.340 1.00 28.19 O HETATM 1983 O HOH 137 -12.254 -16.243 11.747 1.00 24.56 O HETATM 1984 O HOH 138 -21.177 -6.966 4.757 1.00 27.98 O HETATM 1985 O HOH 139 -26.244 -14.466 14.997 1.00 24.61 O HETATM 1986 O HOH 140 -3.608 -14.422 6.561 1.00 28.98 O HETATM 1987 O HOH 141 -20.437 -10.823 0.692 1.00 20.68 O HETATM 1988 O HOH 142 -13.163 -11.456 21.426 1.00 24.63 O HETATM 1989 O HOH 143 -21.976 -22.536 -6.029 1.00 18.40 O HETATM 1990 O HOH 144 -25.053 -19.928 17.264 1.00 37.25 O HETATM 1991 O HOH 145 -18.652 -10.301 19.822 1.00 22.62 O HETATM 1992 O HOH 146 -26.690 -20.774 5.394 1.00 26.94 O HETATM 1993 O HOH 147 -20.562 -32.906 4.424 1.00 47.74 O HETATM 1994 O HOH 148 -12.957 -23.699 14.378 1.00 33.91 O HETATM 1995 O HOH 149 -15.424 -19.461 12.927 1.00 27.31 O HETATM 1996 O HOH 150 -17.885 -7.556 2.023 1.00 25.10 O HETATM 1997 O HOH 151 -1.180 -11.682 -4.327 1.00 60.42 O HETATM 1998 O HOH 152 -16.824 -12.009 20.729 1.00 30.24 O HETATM 1999 O HOH 153 -24.358 -21.899 -4.967 1.00 26.13 O HETATM 2000 O HOH 154 -20.213 -34.576 3.137 1.00 30.13 O HETATM 2001 O HOH 155 -15.756 -8.367 26.392 1.00 50.94 O HETATM 2002 O HOH 156 -27.394 -5.334 9.111 1.00 31.74 O HETATM 2003 O HOH 157 -16.162 -9.785 22.300 1.00 25.20 O HETATM 2004 O HOH 158 -29.380 -21.456 8.957 1.00 44.57 O HETATM 2005 O HOH 159 -24.186 -17.297 -6.412 1.00 50.49 O HETATM 2006 O HOH 160 -6.733 -18.389 3.781 1.00 23.49 O HETATM 2007 O HOH 161 -12.492 -15.055 -6.733 1.00 24.54 O HETATM 2008 O HOH 162 -17.697 -4.261 15.959 1.00 35.08 O HETATM 2009 O HOH 163 -10.296 -10.874 22.928 1.00 52.64 O HETATM 2010 O HOH 164 -27.148 -7.340 4.893 1.00 53.26 O HETATM 2011 O HOH 165 -7.324 -12.690 -1.856 1.00 10.55 O HETATM 2012 O HOH 166 -7.279 -12.694 -0.926 1.00 9.81 O HETATM 2013 O HOH 167 -24.445 -21.867 -2.086 1.00 42.56 O HETATM 2014 O HOH 168 -10.507 -11.685 20.329 1.00 42.20 O HETATM 2015 O HOH 169 -8.819 -7.382 23.945 1.00 40.47 O HETATM 2016 O HOH 170 -17.569 -3.020 10.950 1.00 40.56 O HETATM 2017 O HOH 171 -13.855 -20.531 14.645 1.00 47.30 O HETATM 2018 O HOH 172 -13.651 -18.338 19.054 1.00 38.43 O HETATM 2019 O HOH 173 -25.125 -19.143 -4.173 1.00 34.35 O HETATM 2020 O HOH 174 -13.113 -26.167 13.812 1.00 27.22 O HETATM 2021 O HOH 175 -8.871 -9.311 24.533 1.00 67.31 O HETATM 2022 O HOH 176 -21.020 -36.652 -1.364 1.00 42.08 O HETATM 2023 C2 G A 4 -9.375 -14.842 -8.268 1.00 0.09 C HETATM 2024 C3 G A 4 -8.831 -15.931 -7.636 1.00 -0.03 C HETATM 2025 C4 G A 4 -8.374 -15.828 -6.332 1.00 -0.04 C HETATM 2026 C5 G A 4 -8.504 -14.599 -5.651 1.00 0.10 C HETATM 2027 C6 G A 4 -9.080 -13.516 -6.298 1.00 -0.04 C HETATM 2028 C7 G A 4 -9.534 -13.623 -7.612 1.00 -0.03 C HETATM 2029 H4 G A 4 -9.999 -12.780 -8.110 1.00 0.05 H HETATM 2030 H3 G A 4 -9.179 -12.572 -5.774 1.00 0.06 H HETATM 2031 S8 G A 4 -8.142 -14.531 -4.020 1.00 0.07 S HETATM 2032 O9 G A 4 -7.010 -15.397 -3.817 1.00 -0.15 O HETATM 2033 O10 G A 4 -7.983 -13.159 -3.684 1.00 -0.15 O HETATM 2034 N11 G A 4 -9.374 -15.113 -3.264 1.00 -0.23 N HETATM 2035 C12 G A 4 -10.602 -14.263 -3.323 1.00 0.03 C HETATM 2036 C13 G A 4 -11.525 -14.285 -2.111 1.00 -0.03 C HETATM 2037 C14 G A 4 -10.859 -13.523 -0.932 1.00 -0.06 C HETATM 2038 H8 G A 4 -11.528 -13.541 -0.059 1.00 0.02 H HETATM 2039 H9 G A 4 -10.671 -12.480 -1.228 1.00 0.02 H HETATM 2040 H10 G A 4 -9.906 -14.008 -0.674 1.00 0.02 H HETATM 2041 C15 G A 4 -12.873 -13.668 -2.428 1.00 -0.06 C HETATM 2042 H11 G A 4 -13.338 -14.212 -3.263 1.00 0.02 H HETATM 2043 H12 G A 4 -12.737 -12.613 -2.709 1.00 0.02 H HETATM 2044 H13 G A 4 -13.522 -13.731 -1.542 1.00 0.02 H HETATM 2045 H7 G A 4 -11.683 -15.332 -1.812 1.00 0.03 H HETATM 2046 H5 G A 4 -11.190 -14.592 -4.192 1.00 0.05 H HETATM 2047 H6 G A 4 -10.277 -13.223 -3.472 1.00 0.05 H HETATM 2048 C16 G A 4 -9.392 -16.533 -2.903 1.00 0.06 C HETATM 2049 C17 G A 4 -9.267 -16.869 -1.430 1.00 0.10 C HETATM 2050 O18 G A 4 -9.592 -18.279 -1.249 1.00 -0.39 O HETATM 2051 H17 G A 4 -8.989 -18.809 -1.756 1.00 0.21 H HETATM 2052 C19 G A 4 -7.836 -16.614 -0.917 1.00 0.08 C HETATM 2053 N20 G A 4 -7.711 -16.724 0.588 1.00 -0.26 N HETATM 2054 C21 G A 4 -7.764 -15.565 1.366 1.00 0.32 C HETATM 2055 O22 G A 4 -8.456 -14.422 1.121 1.00 -0.38 O HETATM 2056 O23 G A 4 -7.612 -16.124 2.703 1.00 -0.26 O HETATM 2057 C24 G A 4 -7.413 -15.178 3.750 1.00 0.12 C HETATM 2058 C25 G A 4 -8.476 -15.376 4.818 1.00 0.08 C HETATM 2059 O26 G A 4 -8.101 -16.559 5.477 1.00 -0.35 O HETATM 2060 C27 G A 4 -6.684 -16.605 5.529 1.00 0.17 C HETATM 2061 O28 G A 4 -6.239 -17.862 5.007 1.00 -0.35 O HETATM 2062 C29 G A 4 -5.441 -17.719 3.793 1.00 0.08 C HETATM 2063 C30 G A 4 -5.051 -16.256 3.807 1.00 0.09 C HETATM 2064 C31 G A 4 -6.168 -15.544 4.561 1.00 0.07 C HETATM 2065 H27 G A 4 -5.772 -14.654 5.072 1.00 0.04 H HETATM 2066 O41 G A 4 -3.912 -16.137 4.602 1.00 -0.38 O HETATM 2067 C42 G A 4 -2.869 -15.738 3.771 1.00 0.04 C HETATM 2068 H38 G A 4 -1.948 -15.632 4.363 1.00 0.05 H HETATM 2069 H39 G A 4 -3.119 -14.773 3.307 1.00 0.05 H HETATM 2070 H40 G A 4 -2.716 -16.494 2.986 1.00 0.05 H HETATM 2071 H26 G A 4 -4.898 -15.853 2.795 1.00 0.06 H HETATM 2072 H24 G A 4 -6.035 -17.960 2.899 1.00 0.06 H HETATM 2073 H25 G A 4 -4.551 -18.365 3.827 1.00 0.06 H HETATM 2074 H23 G A 4 -6.316 -16.441 6.553 1.00 0.09 H HETATM 2075 H21 G A 4 -9.470 -15.485 4.361 1.00 0.06 H HETATM 2076 H22 G A 4 -8.486 -14.528 5.518 1.00 0.06 H HETATM 2077 H20 G A 4 -7.382 -14.152 3.355 1.00 0.07 H HETATM 2078 H19 G A 4 -7.592 -17.618 1.021 1.00 0.19 H HETATM 2079 C32 G A 4 -6.807 -17.636 -1.392 1.00 0.01 C HETATM 2080 C38 G A 4 -5.428 -17.304 -0.810 1.00 -0.04 C HETATM 2081 C33 G A 4 -4.881 -18.213 0.115 1.00 -0.06 C HETATM 2082 C34 G A 4 -3.643 -17.896 0.687 1.00 -0.07 C HETATM 2083 C35 G A 4 -2.938 -16.729 0.355 1.00 -0.07 C HETATM 2084 C36 G A 4 -3.510 -15.849 -0.569 1.00 -0.07 C HETATM 2085 C37 G A 4 -4.754 -16.113 -1.121 1.00 -0.06 C HETATM 2086 H34 G A 4 -5.208 -15.396 -1.796 1.00 0.06 H HETATM 2087 H33 G A 4 -2.975 -14.951 -0.857 1.00 0.06 H HETATM 2088 H32 G A 4 -1.974 -16.515 0.803 1.00 0.06 H HETATM 2089 H31 G A 4 -3.213 -18.577 1.413 1.00 0.06 H HETATM 2090 H30 G A 4 -5.401 -19.128 0.376 1.00 0.06 H HETATM 2091 H28 G A 4 -6.753 -17.615 -2.490 1.00 0.04 H HETATM 2092 H29 G A 4 -7.110 -18.640 -1.059 1.00 0.04 H HETATM 2093 H18 G A 4 -7.540 -15.607 -1.246 1.00 0.06 H HETATM 2094 H16 G A 4 -9.972 -16.249 -0.856 1.00 0.06 H HETATM 2095 H14 G A 4 -8.556 -17.019 -3.427 1.00 0.05 H HETATM 2096 H15 G A 4 -10.343 -16.954 -3.260 1.00 0.05 H HETATM 2097 H2 G A 4 -7.922 -16.682 -5.841 1.00 0.06 H HETATM 2098 H1 G A 4 -8.758 -16.877 -8.159 1.00 0.05 H HETATM 2099 O39 G A 4 -9.787 -14.999 -9.571 1.00 -0.32 O HETATM 2100 C40 G A 4 -10.484 -13.917 -10.165 1.00 0.06 C HETATM 2101 H35 G A 4 -10.751 -14.177 -11.200 1.00 0.06 H HETATM 2102 H36 G A 4 -9.842 -13.024 -10.166 1.00 0.06 H HETATM 2103 H37 G A 4 -11.399 -13.711 -9.591 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 924 925 930 931 932 CONECT 931 924 CONECT 932 924 CONECT 2023 2024 2028 2099 CONECT 2024 2023 2025 2098 CONECT 2025 2024 2026 2097 CONECT 2026 2025 2027 2031 CONECT 2027 2026 2028 2030 CONECT 2028 2023 2027 2029 CONECT 2029 2028 CONECT 2030 2027 CONECT 2031 2026 2032 2033 2034 CONECT 2032 2031 CONECT 2033 2031 CONECT 2034 2031 2035 2048 CONECT 2035 2034 2036 2046 2047 CONECT 2036 2035 2037 2041 2045 CONECT 2037 2036 2038 2039 2040 CONECT 2038 2037 CONECT 2039 2037 CONECT 2040 2037 CONECT 2041 2036 2042 2043 2044 CONECT 2042 2041 CONECT 2043 2041 CONECT 2044 2041 CONECT 2045 2036 CONECT 2046 2035 CONECT 2047 2035 CONECT 2048 2034 2049 2095 2096 CONECT 2049 2048 2050 2052 2094 CONECT 2050 2049 2051 CONECT 2051 2050 CONECT 2052 2049 2053 2079 2093 CONECT 2053 2052 2054 2078 CONECT 2054 2053 2055 2056 CONECT 2055 2054 CONECT 2056 2054 2057 CONECT 2057 2056 2058 2064 2077 CONECT 2058 2057 2059 2075 2076 CONECT 2059 2058 2060 CONECT 2060 2059 2061 2064 2074 CONECT 2061 2060 2062 CONECT 2062 2061 2063 2072 2073 CONECT 2063 2062 2064 2066 2071 CONECT 2064 2057 2060 2063 2065 CONECT 2065 2064 CONECT 2066 2063 2067 CONECT 2067 2066 2068 2069 2070 CONECT 2068 2067 CONECT 2069 2067 CONECT 2070 2067 CONECT 2071 2063 CONECT 2072 2062 CONECT 2073 2062 CONECT 2074 2060 CONECT 2075 2058 CONECT 2076 2058 CONECT 2077 2057 CONECT 2078 2053 CONECT 2079 2052 2080 2091 2092 CONECT 2080 2079 2081 2085 CONECT 2081 2080 2082 2090 CONECT 2082 2081 2083 2089 CONECT 2083 2082 2084 2088 CONECT 2084 2083 2085 2087 CONECT 2085 2080 2084 2086 CONECT 2086 2085 CONECT 2087 2084 CONECT 2088 2083 CONECT 2089 2082 CONECT 2090 2081 CONECT 2091 2079 CONECT 2092 2079 CONECT 2093 2052 CONECT 2094 2049 CONECT 2095 2048 CONECT 2096 2048 CONECT 2097 2025 CONECT 2098 2024 CONECT 2099 2023 2100 CONECT 2100 2099 2101 2102 2103 CONECT 2101 2100 CONECT 2102 2100 CONECT 2103 2100 MASTER 0 0 0 0 0 0 0 0 2101 2 87 16 END
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Structure:
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Related entries of code: 4ye3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4yhq
RCSB PDB
PDBbind
99aa, >4YHQ_1|Chains... at 100%
6prf
RCSB PDB
PDBbind
99aa, >6PRF_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3qaa
RCSB PDB
PDBbind
G04
Entry Information
PDB ID
4ye3
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Multidrug Resistant HIV-1 Protease Clinical Isolate PR20
Ligand Name
G04
EC.Number
E.C.3.4.23.16
Resolution
1.35(Å)
Affinity (Kd/Ki/IC50)
Ki=4.3nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 5088-5095
Ligand Properties
Formula
C
2
9
H
4
0
N
2
O
9
S
Molecular Weight
592.701
Exact Mass
592.245
No. of atoms
81
No. of bonds
84
Polar Surface Area
141.24
LOGP Value
3.15 (
Computed with XLOGP3
)
3.90 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 4
Canonical SMILES
CO[C@H]1CO[C@H]2[C@@H]1[C@H](CO2)OC(=O)N[C@H]([C@@H](CN(S(=O)(=O)c1ccc(cc1)OC)CC(C)C)O)Cc1ccccc1
InChI String
InChI=1S/C29H40N2O9S/c1-19(2)15-31(41(34,35)22-12-10-21(36-3)11-13-22)16-24(32)23(14-20-8-6-5-7-9-20)30-29(33)40-26-18-39-28-27(26)25(37-4)17-38-28/h5-13,19,23-28,32H,14-18H2,1-4H3,(H,30,33)/t23-,24+,25-,26-,27-,28+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P03366
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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