Browse entries in the PDBbind-CN Database
HEADER 4YHQ_COMPLEX COMPND 4YHQ_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 NA A 1 1 HET G A 10 75 ATOM 1 N PRO A 1 -38.465 8.743 5.309 1.00 26.64 N ATOM 2 CA PRO A 1 -38.623 8.818 3.860 1.00 25.42 C ATOM 3 C PRO A 1 -38.429 7.467 3.107 1.00 21.92 C ATOM 4 O PRO A 1 -37.852 6.559 3.685 1.00 22.66 O ATOM 5 CB PRO A 1 -37.460 9.770 3.465 1.00 28.86 C ATOM 6 CG PRO A 1 -37.072 10.508 4.790 1.00 29.00 C ATOM 7 CD PRO A 1 -37.221 9.411 5.765 1.00 30.53 C ATOM 8 HN2 PRO A 1 -38.433 7.743 5.593 1.00 0.00 H ATOM 9 HN1 PRO A 1 -39.280 9.205 5.761 1.00 0.00 H ATOM 10 N GLN A 2 -38.815 7.391 1.844 1.00 20.62 N ATOM 11 CA GLN A 2 -38.438 6.264 0.956 1.00 17.27 C ATOM 12 C GLN A 2 -37.587 6.896 -0.135 1.00 16.93 C ATOM 13 O GLN A 2 -37.998 7.930 -0.692 1.00 18.93 O ATOM 14 CB GLN A 2 -39.684 5.524 0.393 1.00 18.44 C ATOM 15 CG GLN A 2 -39.236 4.323 -0.537 1.00 21.12 C ATOM 16 CD GLN A 2 -40.359 3.450 -1.109 1.00 21.15 C ATOM 17 OE1 GLN A 2 -40.983 3.794 -2.148 1.00 21.62 O ATOM 18 NE2 GLN A 2 -40.658 2.353 -0.408 1.00 24.16 N ATOM 19 HE22 GLN A 2 -40.110 2.115 0.443 1.00 0.00 H ATOM 20 HE21 GLN A 2 -41.438 1.737 -0.714 1.00 0.00 H ATOM 21 H GLN A 2 -39.408 8.153 1.457 1.00 0.00 H ATOM 22 N ILE A 3 -36.421 6.306 -0.459 1.00 14.09 N ATOM 23 CA ILE A 3 -35.573 6.844 -1.525 1.00 13.52 C ATOM 24 C ILE A 3 -35.255 5.723 -2.490 1.00 13.23 C ATOM 25 O ILE A 3 -35.084 4.549 -2.116 1.00 14.41 O ATOM 26 CB ILE A 3 -34.323 7.505 -0.975 1.00 14.72 C ATOM 27 CG1 ILE A 3 -33.463 6.544 -0.148 1.00 14.63 C ATOM 28 CG2 ILE A 3 -34.652 8.769 -0.159 1.00 17.37 C ATOM 29 CD1 ILE A 3 -32.172 7.195 0.270 1.00 18.43 C ATOM 30 H ILE A 3 -36.118 5.455 0.056 1.00 0.00 H ATOM 31 N THR A 4 -35.081 6.103 -3.753 1.00 13.60 N ATOM 32 CA THR A 4 -34.423 5.238 -4.727 1.00 13.01 C ATOM 33 C THR A 4 -32.919 5.428 -4.660 1.00 12.60 C ATOM 34 O THR A 4 -32.404 6.189 -3.820 1.00 14.48 O ATOM 35 CB THR A 4 -34.942 5.561 -6.107 1.00 13.15 C ATOM 36 OG1 THR A 4 -34.757 6.954 -6.355 1.00 15.04 O ATOM 37 CG2 THR A 4 -36.491 5.173 -6.226 1.00 15.93 C ATOM 38 HG1 THR A 4 -33.793 7.173 -6.299 1.00 0.00 H ATOM 39 H THR A 4 -35.422 7.039 -4.053 1.00 0.00 H ATOM 40 N LEU A 5 -32.195 4.767 -5.549 1.00 12.25 N ATOM 41 CA LEU A 5 -30.713 4.666 -5.443 1.00 12.10 C ATOM 42 C LEU A 5 -30.005 5.203 -6.657 1.00 11.75 C ATOM 43 O LEU A 5 -28.865 4.877 -6.926 1.00 11.88 O ATOM 44 CB LEU A 5 -30.302 3.243 -5.073 1.00 11.57 C ATOM 45 CG LEU A 5 -30.771 2.767 -3.718 1.00 13.24 C ATOM 46 CD1 LEU A 5 -30.583 1.288 -3.599 1.00 14.40 C ATOM 47 CD2 LEU A 5 -30.054 3.495 -2.568 1.00 15.23 C ATOM 48 H LEU A 5 -32.676 4.304 -6.346 1.00 0.00 H ATOM 49 N TRP A 6 -30.692 6.069 -7.418 1.00 13.99 N ATOM 50 CA TRP A 6 -30.062 6.672 -8.589 1.00 13.64 C ATOM 51 C TRP A 6 -28.963 7.639 -8.227 1.00 15.88 C ATOM 52 O TRP A 6 -28.077 7.871 -9.034 1.00 18.98 O ATOM 53 CB TRP A 6 -31.125 7.406 -9.443 1.00 15.21 C ATOM 54 CG TRP A 6 -32.150 6.433 -9.964 1.00 14.40 C ATOM 55 CD1 TRP A 6 -33.353 6.126 -9.421 1.00 18.79 C ATOM 56 CD2 TRP A 6 -32.004 5.552 -11.065 1.00 14.53 C ATOM 57 NE1 TRP A 6 -33.980 5.142 -10.126 1.00 18.06 N ATOM 58 CE2 TRP A 6 -33.184 4.786 -11.160 1.00 15.95 C ATOM 59 CE3 TRP A 6 -31.025 5.401 -12.047 1.00 15.18 C ATOM 60 CZ2 TRP A 6 -33.413 3.853 -12.172 1.00 16.19 C ATOM 61 CZ3 TRP A 6 -31.254 4.446 -13.068 1.00 17.87 C ATOM 62 CH2 TRP A 6 -32.440 3.705 -13.117 1.00 15.67 C ATOM 63 HE1 TRP A 6 -34.911 4.735 -9.906 1.00 0.00 H ATOM 64 H TRP A 6 -31.674 6.311 -7.174 1.00 0.00 H ATOM 65 N LYS A 7 -29.021 8.233 -7.038 1.00 16.52 N ATOM 66 CA LYS A 7 -27.876 9.031 -6.538 1.00 18.89 C ATOM 67 C LYS A 7 -27.363 8.387 -5.247 1.00 15.98 C ATOM 68 O LYS A 7 -28.064 7.548 -4.618 1.00 14.96 O ATOM 69 CB LYS A 7 -28.129 10.512 -6.337 1.00 21.81 C ATOM 70 CG LYS A 7 -29.147 10.730 -5.374 1.00 22.11 C ATOM 71 CD LYS A 7 -29.377 12.289 -5.274 1.00 31.20 C ATOM 72 CE LYS A 7 -30.252 12.709 -4.071 1.00 38.69 C ATOM 73 NZ LYS A 7 -30.198 14.191 -3.813 1.00 44.38 N ATOM 74 HZ1 LYS A 7 -29.217 14.471 -3.611 1.00 0.00 H ATOM 75 HZ2 LYS A 7 -30.539 14.701 -4.653 1.00 0.00 H ATOM 76 HZ3 LYS A 7 -30.801 14.422 -2.997 1.00 0.00 H ATOM 77 H LYS A 7 -29.877 8.137 -6.455 1.00 0.00 H ATOM 78 N ARG A 8 -26.150 8.727 -4.825 1.00 16.68 N ATOM 79 CA ARG A 8 -25.638 8.252 -3.547 1.00 15.32 C ATOM 80 C ARG A 8 -26.622 8.675 -2.442 1.00 14.85 C ATOM 81 O ARG A 8 -27.024 9.870 -2.395 1.00 16.46 O ATOM 82 CB ARG A 8 -24.329 8.959 -3.277 1.00 16.43 C ATOM 83 CG ARG A 8 -23.277 8.532 -4.270 1.00 15.98 C ATOM 84 CD ARG A 8 -21.886 8.907 -3.804 1.00 19.34 C ATOM 85 NE ARG A 8 -21.523 10.307 -3.992 1.00 29.01 N ATOM 86 CZ ARG A 8 -20.331 10.817 -3.674 1.00 29.34 C ATOM 87 NH1 ARG A 8 -19.350 10.028 -3.181 1.00 29.66 N ATOM 88 NH2 ARG A 8 -20.130 12.112 -3.879 1.00 28.94 N ATOM 89 HE ARG A 8 -22.236 10.946 -4.398 1.00 0.00 H ATOM 90 HH12 ARG A 8 -18.426 10.438 -2.937 1.00 0.00 H ATOM 91 HH11 ARG A 8 -19.519 9.011 -3.045 1.00 0.00 H ATOM 92 HH22 ARG A 8 -19.212 12.540 -3.642 1.00 0.00 H ATOM 93 HH21 ARG A 8 -20.890 12.700 -4.277 1.00 0.00 H ATOM 94 H ARG A 8 -25.556 9.342 -5.417 1.00 0.00 H ATOM 95 N PRO A 9 -26.994 7.793 -1.511 1.00 14.19 N ATOM 96 CA PRO A 9 -28.004 8.090 -0.456 1.00 13.24 C ATOM 97 C PRO A 9 -27.463 8.844 0.749 1.00 14.53 C ATOM 98 O PRO A 9 -27.342 8.337 1.834 1.00 15.95 O ATOM 99 CB PRO A 9 -28.550 6.711 -0.108 1.00 14.40 C ATOM 100 CG PRO A 9 -27.337 5.796 -0.310 1.00 13.83 C ATOM 101 CD PRO A 9 -26.697 6.345 -1.604 1.00 13.94 C ATOM 102 N PHE A 10 -27.103 10.083 0.516 1.00 15.29 N ATOM 103 CA PHE A 10 -26.648 10.955 1.603 1.00 13.93 C ATOM 104 C PHE A 10 -27.788 11.414 2.427 1.00 15.34 C ATOM 105 O PHE A 10 -28.874 11.777 1.908 1.00 17.44 O ATOM 106 CB PHE A 10 -25.884 12.138 1.051 1.00 17.07 C ATOM 107 CG PHE A 10 -24.470 11.813 0.678 1.00 18.46 C ATOM 108 CD1 PHE A 10 -23.536 11.584 1.699 1.00 19.79 C ATOM 109 CD2 PHE A 10 -24.071 11.687 -0.691 1.00 21.43 C ATOM 110 CE1 PHE A 10 -22.218 11.274 1.423 1.00 20.66 C ATOM 111 CE2 PHE A 10 -22.769 11.340 -1.002 1.00 24.02 C ATOM 112 CZ PHE A 10 -21.831 11.183 0.060 1.00 25.30 C ATOM 113 H PHE A 10 -27.141 10.453 -0.455 1.00 0.00 H ATOM 114 N VAL A 11 -27.512 11.548 3.727 1.00 14.58 N ATOM 115 CA VAL A 11 -28.437 12.214 4.667 1.00 15.88 C ATOM 116 C VAL A 11 -27.616 13.195 5.522 1.00 13.10 C ATOM 117 O VAL A 11 -26.418 13.059 5.713 1.00 15.00 O ATOM 118 CB VAL A 11 -29.130 11.140 5.574 1.00 18.46 C ATOM 119 CG1 VAL A 11 -30.154 10.314 4.735 1.00 20.47 C ATOM 120 CG2 VAL A 11 -28.163 10.258 6.371 1.00 18.48 C ATOM 121 H VAL A 11 -26.614 11.170 4.090 1.00 0.00 H ATOM 122 N THR A 12 -28.332 14.198 5.982 1.00 13.78 N ATOM 123 CA THR A 12 -27.805 15.194 6.893 1.00 13.43 C ATOM 124 C THR A 12 -28.013 14.748 8.303 1.00 13.93 C ATOM 125 O THR A 12 -29.149 14.389 8.679 1.00 17.89 O ATOM 126 CB THR A 12 -28.383 16.578 6.590 1.00 17.06 C ATOM 127 OG1 THR A 12 -28.133 16.906 5.227 1.00 19.20 O ATOM 128 CG2 THR A 12 -27.787 17.572 7.437 1.00 20.63 C ATOM 129 HG1 THR A 12 -28.562 16.232 4.643 1.00 0.00 H ATOM 130 H THR A 12 -29.323 14.280 5.677 1.00 0.00 H ATOM 131 N VAL A 13 -26.951 14.755 9.117 1.00 12.28 N ATOM 132 CA VAL A 13 -27.056 14.310 10.510 1.00 13.24 C ATOM 133 C VAL A 13 -26.429 15.359 11.416 1.00 12.72 C ATOM 134 O VAL A 13 -25.611 16.211 10.959 1.00 14.30 O ATOM 135 CB VAL A 13 -26.480 12.937 10.740 1.00 14.98 C ATOM 136 CG1 VAL A 13 -27.155 11.946 9.842 1.00 16.96 C ATOM 137 CG2 VAL A 13 -25.033 12.980 10.480 1.00 16.42 C ATOM 138 H VAL A 13 -26.033 15.083 8.754 1.00 0.00 H ATOM 139 N LYS A 14 -26.705 15.252 12.686 1.00 12.66 N ATOM 140 CA LYS A 14 -25.971 16.004 13.672 1.00 12.60 C ATOM 141 C LYS A 14 -25.380 14.998 14.643 1.00 12.55 C ATOM 142 O LYS A 14 -26.094 14.175 15.203 1.00 15.55 O ATOM 143 CB LYS A 14 -26.912 16.987 14.377 1.00 16.58 C ATOM 144 CG LYS A 14 -26.203 17.928 15.357 1.00 17.92 C ATOM 145 CD LYS A 14 -27.208 18.992 15.778 1.00 23.49 C ATOM 146 CE LYS A 14 -26.888 19.563 17.065 1.00 31.24 C ATOM 147 NZ LYS A 14 -28.094 20.408 17.427 1.00 27.88 N ATOM 148 HZ1 LYS A 14 -28.231 21.142 16.703 1.00 0.00 H ATOM 149 HZ2 LYS A 14 -28.939 19.803 17.473 1.00 0.00 H ATOM 150 HZ3 LYS A 14 -27.936 20.857 18.352 1.00 0.00 H ATOM 151 H LYS A 14 -27.467 14.614 12.992 1.00 0.00 H ATOM 152 N VAL A 15 -24.044 14.937 14.714 1.00 11.46 N ATOM 153 CA VAL A 15 -23.363 13.905 15.507 1.00 11.70 C ATOM 154 C VAL A 15 -22.491 14.638 16.509 1.00 12.50 C ATOM 155 O VAL A 15 -21.645 15.476 16.142 1.00 13.03 O ATOM 156 CB VAL A 15 -22.580 12.954 14.600 1.00 13.65 C ATOM 157 CG1 VAL A 15 -21.645 13.681 13.634 1.00 14.56 C ATOM 158 CG2 VAL A 15 -21.782 11.938 15.508 1.00 15.22 C ATOM 159 H VAL A 15 -23.475 15.637 14.196 1.00 0.00 H ATOM 160 N GLY A 16 -22.703 14.328 17.789 1.00 14.58 N ATOM 161 CA GLY A 16 -21.986 15.109 18.833 1.00 15.26 C ATOM 162 C GLY A 16 -22.067 16.626 18.648 1.00 15.07 C ATOM 163 O GLY A 16 -21.078 17.309 18.860 1.00 15.07 O ATOM 164 H GLY A 16 -23.353 13.560 18.051 1.00 0.00 H ATOM 165 N GLY A 17 -23.188 17.111 18.178 1.00 16.10 N ATOM 166 CA GLY A 17 -23.346 18.577 18.028 1.00 14.60 C ATOM 167 C GLY A 17 -22.828 19.152 16.726 1.00 14.39 C ATOM 168 O GLY A 17 -22.976 20.367 16.496 1.00 16.23 O ATOM 169 H GLY A 17 -23.963 16.471 17.911 1.00 0.00 H ATOM 170 N GLN A 18 -22.243 18.330 15.840 1.00 11.24 N ATOM 171 CA GLN A 18 -21.653 18.800 14.600 1.00 11.64 C ATOM 172 C GLN A 18 -22.452 18.350 13.427 1.00 11.76 C ATOM 173 O GLN A 18 -22.932 17.202 13.386 1.00 12.70 O ATOM 174 CB GLN A 18 -20.209 18.198 14.501 1.00 13.14 C ATOM 175 CG GLN A 18 -19.333 18.893 15.561 1.00 14.46 C ATOM 176 CD GLN A 18 -18.255 17.979 16.131 1.00 14.37 C ATOM 177 OE1 GLN A 18 -17.173 17.878 15.574 1.00 16.40 O ATOM 178 NE2 GLN A 18 -18.570 17.235 17.194 1.00 18.41 N ATOM 179 HE22 GLN A 18 -19.500 17.343 17.647 1.00 0.00 H ATOM 180 HE21 GLN A 18 -17.886 16.547 17.569 1.00 0.00 H ATOM 181 H GLN A 18 -22.211 17.312 16.051 1.00 0.00 H ATOM 182 N LEU A 19 -22.638 19.216 12.456 1.00 12.66 N ATOM 183 CA LEU A 19 -23.459 18.875 11.293 1.00 12.55 C ATOM 184 C LEU A 19 -22.600 18.186 10.268 1.00 12.56 C ATOM 185 O LEU A 19 -21.516 18.711 9.880 1.00 15.20 O ATOM 186 CB LEU A 19 -24.037 20.135 10.662 1.00 12.71 C ATOM 187 CG LEU A 19 -24.789 21.046 11.608 1.00 15.80 C ATOM 188 CD1 LEU A 19 -25.334 22.264 10.879 1.00 18.64 C ATOM 189 CD2 LEU A 19 -25.869 20.296 12.338 1.00 21.25 C ATOM 190 H LEU A 19 -22.196 20.156 12.515 1.00 0.00 H ATOM 191 N LYS A 20 -23.094 17.065 9.733 1.00 12.37 N ATOM 192 CA LYS A 20 -22.331 16.324 8.747 1.00 13.28 C ATOM 193 C LYS A 20 -23.280 15.709 7.716 1.00 12.90 C ATOM 194 O LYS A 20 -24.430 15.506 8.018 1.00 15.44 O ATOM 195 CB LYS A 20 -21.528 15.158 9.417 1.00 14.70 C ATOM 196 CG LYS A 20 -20.496 15.599 10.371 1.00 17.84 C ATOM 197 CD LYS A 20 -19.321 16.399 9.620 1.00 22.79 C ATOM 198 CE LYS A 20 -18.167 16.730 10.485 1.00 29.66 C ATOM 199 NZ LYS A 20 -17.047 17.440 9.786 1.00 33.84 N ATOM 200 HZ1 LYS A 20 -16.686 16.841 9.016 1.00 0.00 H ATOM 201 HZ2 LYS A 20 -17.398 18.337 9.394 1.00 0.00 H ATOM 202 HZ3 LYS A 20 -16.283 17.632 10.465 1.00 0.00 H ATOM 203 H LYS A 20 -24.031 16.722 10.026 1.00 0.00 H ATOM 204 N GLU A 21 -22.783 15.379 6.551 1.00 14.01 N ATOM 205 CA GLU A 21 -23.497 14.519 5.617 1.00 14.23 C ATOM 206 C GLU A 21 -22.853 13.137 5.610 1.00 12.53 C ATOM 207 O GLU A 21 -21.692 13.040 5.797 1.00 11.94 O ATOM 208 CB GLU A 21 -23.570 15.092 4.231 1.00 16.20 C ATOM 209 CG GLU A 21 -24.824 16.018 4.140 1.00 21.97 C ATOM 210 CD GLU A 21 -25.739 15.730 2.921 1.00 24.61 C ATOM 211 OE1 GLU A 21 -25.198 16.129 1.889 1.00 29.71 O ATOM 212 OE2 GLU A 21 -26.952 15.226 3.005 1.00 16.64 O ATOM 213 H GLU A 21 -21.846 15.743 6.283 1.00 0.00 H ATOM 214 N ALA A 22 -23.676 12.117 5.505 1.00 11.49 N ATOM 215 CA ALA A 22 -23.173 10.747 5.583 1.00 10.93 C ATOM 216 C ALA A 22 -24.023 9.858 4.694 1.00 11.49 C ATOM 217 O ALA A 22 -25.210 10.104 4.515 1.00 13.31 O ATOM 218 CB ALA A 22 -23.184 10.253 6.990 1.00 12.39 C ATOM 219 H ALA A 22 -24.693 12.286 5.365 1.00 0.00 H ATOM 220 N LEU A 23 -23.342 8.851 4.154 1.00 11.51 N ATOM 221 CA LEU A 23 -23.870 7.885 3.211 1.00 11.57 C ATOM 222 C LEU A 23 -24.694 6.785 3.964 1.00 11.04 C ATOM 223 O LEU A 23 -24.017 6.109 4.773 1.00 10.41 O ATOM 224 CB LEU A 23 -22.612 7.297 2.523 1.00 12.63 C ATOM 225 CG LEU A 23 -22.932 6.324 1.388 1.00 12.09 C ATOM 226 CD1 LEU A 23 -23.694 7.115 0.373 1.00 14.23 C ATOM 227 CD2 LEU A 23 -21.653 5.758 0.828 1.00 12.91 C ATOM 228 H LEU A 23 -22.345 8.748 4.432 1.00 0.00 H ATOM 229 N LEU A 24 -26.078 6.613 3.744 1.00 13.23 N ATOM 230 CA LEU A 24 -26.805 5.446 4.272 1.00 13.89 C ATOM 231 C LEU A 24 -26.227 4.234 3.577 1.00 13.79 C ATOM 232 O LEU A 24 -26.398 4.039 2.387 1.00 17.71 O ATOM 233 CB LEU A 24 -28.276 5.549 3.972 1.00 15.79 C ATOM 234 CG LEU A 24 -28.920 6.701 4.693 1.00 16.79 C ATOM 235 CD1 LEU A 24 -30.432 6.745 4.199 1.00 21.78 C ATOM 236 CD2 LEU A 24 -28.884 6.479 6.233 1.00 18.99 C ATOM 237 H LEU A 24 -26.597 7.328 3.195 1.00 0.00 H ATOM 238 N ASP A 25 -25.503 3.401 4.354 1.00 12.08 N ATOM 239 CA ASP A 25 -24.663 2.357 3.757 1.00 12.39 C ATOM 240 C ASP A 25 -24.969 0.985 4.320 1.00 11.41 C ATOM 241 O ASP A 25 -24.464 0.569 5.384 1.00 11.74 O ATOM 242 CB ASP A 25 -23.240 2.748 3.993 1.00 11.99 C ATOM 243 CG ASP A 25 -22.341 1.918 3.290 1.00 14.65 C ATOM 244 OD1 ASP A 25 -22.796 0.899 2.698 1.00 17.35 O ATOM 245 OD2 ASP A 25 -21.124 2.178 3.278 1.00 16.51 O ATOM 246 H ASP A 25 -25.541 3.501 5.389 1.00 0.00 H ATOM 247 N THR A 26 -25.816 0.229 3.618 1.00 10.61 N ATOM 248 CA THR A 26 -26.256 -1.081 4.115 1.00 10.18 C ATOM 249 C THR A 26 -25.097 -2.051 4.078 1.00 9.63 C ATOM 250 O THR A 26 -25.171 -3.080 4.752 1.00 10.32 O ATOM 251 CB THR A 26 -27.403 -1.609 3.267 1.00 10.06 C ATOM 252 OG1 THR A 26 -27.001 -1.685 1.893 1.00 10.34 O ATOM 253 CG2 THR A 26 -28.650 -0.736 3.406 1.00 11.77 C ATOM 254 HG1 THR A 26 -26.226 -2.295 1.810 1.00 0.00 H ATOM 255 H THR A 26 -26.171 0.574 2.703 1.00 0.00 H ATOM 256 N GLY A 27 -23.994 -1.763 3.351 1.00 10.46 N ATOM 257 CA GLY A 27 -22.823 -2.636 3.418 1.00 11.73 C ATOM 258 C GLY A 27 -21.856 -2.318 4.551 1.00 11.53 C ATOM 259 O GLY A 27 -20.828 -2.983 4.675 1.00 12.86 O ATOM 260 H GLY A 27 -23.978 -0.919 2.743 1.00 0.00 H ATOM 261 N ALA A 28 -22.175 -1.301 5.390 1.00 11.52 N ATOM 262 CA ALA A 28 -21.317 -0.929 6.525 1.00 12.54 C ATOM 263 C ALA A 28 -21.925 -1.492 7.785 1.00 11.06 C ATOM 264 O ALA A 28 -23.045 -1.145 8.159 1.00 11.11 O ATOM 265 CB ALA A 28 -21.194 0.587 6.609 1.00 14.32 C ATOM 266 H ALA A 28 -23.053 -0.768 5.226 1.00 0.00 H ATOM 267 N ASP A 29 -21.118 -2.251 8.540 1.00 11.24 N ATOM 268 CA ASP A 29 -21.596 -2.744 9.847 1.00 11.76 C ATOM 269 C ASP A 29 -21.737 -1.589 10.823 1.00 11.05 C ATOM 270 O ASP A 29 -22.646 -1.599 11.664 1.00 11.69 O ATOM 271 CB ASP A 29 -20.638 -3.752 10.458 1.00 12.97 C ATOM 272 CG ASP A 29 -20.485 -5.012 9.623 1.00 15.58 C ATOM 273 OD1 ASP A 29 -21.369 -5.395 8.840 1.00 14.91 O ATOM 274 OD2 ASP A 29 -19.449 -5.691 9.834 1.00 23.21 O ATOM 275 H ASP A 29 -20.162 -2.491 8.207 1.00 0.00 H ATOM 276 N ASN A 30 -20.754 -0.658 10.702 1.00 12.09 N ATOM 277 CA ASN A 30 -20.357 0.302 11.727 1.00 12.75 C ATOM 278 C ASN A 30 -20.442 1.820 11.219 1.00 9.96 C ATOM 279 O ASN A 30 -19.781 2.091 10.293 1.00 11.20 O ATOM 280 CB ASN A 30 -18.846 0.076 12.178 1.00 13.40 C ATOM 281 CG ASN A 30 -18.475 -1.383 12.510 1.00 17.93 C ATOM 282 OD1 ASN A 30 -17.467 -2.024 11.984 1.00 15.49 O ATOM 283 ND2 ASN A 30 -19.277 -1.902 13.348 1.00 15.97 N ATOM 284 HD22 ASN A 30 -20.063 -1.340 13.733 1.00 0.00 H ATOM 285 HD21 ASN A 30 -19.148 -2.889 13.649 1.00 0.00 H ATOM 286 H ASN A 30 -20.239 -0.627 9.799 1.00 0.00 H ATOM 287 N THR A 31 -21.162 2.785 11.806 1.00 13.65 N ATOM 288 CA THR A 31 -21.068 4.194 11.466 1.00 11.81 C ATOM 289 C THR A 31 -19.691 4.761 11.725 1.00 11.60 C ATOM 290 O THR A 31 -19.088 4.540 12.767 1.00 12.63 O ATOM 291 CB THR A 31 -22.127 4.923 12.330 1.00 13.39 C ATOM 292 OG1 THR A 31 -23.402 4.446 11.859 1.00 15.85 O ATOM 293 CG2 THR A 31 -22.101 6.436 12.217 1.00 13.80 C ATOM 294 HG1 THR A 31 -24.127 4.879 12.376 1.00 0.00 H ATOM 295 H THR A 31 -21.831 2.508 12.553 1.00 0.00 H ATOM 296 N ILE A 32 -19.209 5.523 10.765 1.00 10.88 N ATOM 297 CA ILE A 32 -17.889 6.134 10.818 1.00 11.14 C ATOM 298 C ILE A 32 -17.959 7.542 10.326 1.00 11.48 C ATOM 299 O ILE A 32 -18.564 7.813 9.269 1.00 11.40 O ATOM 300 CB ILE A 32 -16.845 5.446 9.916 1.00 12.04 C ATOM 301 CG1 ILE A 32 -16.831 3.940 10.090 1.00 13.38 C ATOM 302 CG2 ILE A 32 -15.417 6.038 10.142 1.00 12.16 C ATOM 303 CD1 ILE A 32 -15.899 3.194 9.214 1.00 16.23 C ATOM 304 H ILE A 32 -19.801 5.697 9.928 1.00 0.00 H ATOM 305 N PHE A 33 -17.316 8.481 11.078 1.00 11.69 N ATOM 306 CA PHE A 33 -17.137 9.852 10.592 1.00 12.24 C ATOM 307 C PHE A 33 -15.642 10.197 10.643 1.00 13.04 C ATOM 308 O PHE A 33 -14.904 9.730 11.484 1.00 14.53 O ATOM 309 CB PHE A 33 -17.866 10.837 11.542 1.00 13.45 C ATOM 310 CG PHE A 33 -19.349 10.780 11.438 1.00 12.80 C ATOM 311 CD1 PHE A 33 -20.034 11.545 10.545 1.00 13.71 C ATOM 312 CD2 PHE A 33 -20.051 9.931 12.259 1.00 15.29 C ATOM 313 CE1 PHE A 33 -21.392 11.468 10.420 1.00 15.10 C ATOM 314 CE2 PHE A 33 -21.440 9.824 12.171 1.00 18.48 C ATOM 315 CZ PHE A 33 -22.107 10.587 11.184 1.00 17.06 C ATOM 316 H PHE A 33 -16.946 8.219 12.014 1.00 0.00 H ATOM 317 N GLU A 34 -15.273 11.138 9.759 1.00 13.83 N ATOM 318 CA GLU A 34 -13.985 11.825 9.777 1.00 14.83 C ATOM 319 C GLU A 34 -14.221 13.225 10.323 1.00 16.55 C ATOM 320 O GLU A 34 -15.315 13.801 10.181 1.00 18.19 O ATOM 321 CB GLU A 34 -13.392 11.814 8.387 1.00 18.32 C ATOM 322 CG GLU A 34 -12.176 12.594 8.261 1.00 27.76 C ATOM 323 CD GLU A 34 -11.667 12.578 6.828 1.00 33.74 C ATOM 324 OE1 GLU A 34 -12.291 13.241 5.957 1.00 32.65 O ATOM 325 OE2 GLU A 34 -10.658 11.884 6.561 1.00 43.91 O ATOM 326 H GLU A 34 -15.950 11.394 9.012 1.00 0.00 H ATOM 327 N ASP A 35 -13.201 13.750 10.923 1.00 19.00 N ATOM 328 CA ASP A 35 -13.149 15.203 11.261 1.00 21.41 C ATOM 329 C ASP A 35 -14.280 15.629 12.173 1.00 21.58 C ATOM 330 O ASP A 35 -15.061 16.649 11.890 1.00 22.80 O ATOM 331 CB ASP A 35 -13.189 16.094 10.002 1.00 22.89 C ATOM 332 CG ASP A 35 -12.058 15.812 9.049 1.00 28.20 C ATOM 333 OD1 ASP A 35 -12.366 15.909 7.803 1.00 35.22 O ATOM 334 OD2 ASP A 35 -10.934 15.397 9.529 1.00 31.00 O ATOM 335 H ASP A 35 -12.396 13.143 11.176 1.00 0.00 H ATOM 336 N ILE A 36 -14.464 14.826 13.228 1.00 17.28 N ATOM 337 CA ILE A 36 -15.354 15.295 14.261 1.00 15.73 C ATOM 338 C ILE A 36 -14.633 15.166 15.534 1.00 16.38 C ATOM 339 O ILE A 36 -13.702 14.332 15.700 1.00 18.98 O ATOM 340 CB ILE A 36 -16.701 14.522 14.324 1.00 15.70 C ATOM 341 CG1 ILE A 36 -16.559 13.036 14.572 1.00 15.81 C ATOM 342 CG2 ILE A 36 -17.587 14.868 13.113 1.00 18.48 C ATOM 343 CD1 ILE A 36 -17.865 12.364 14.930 1.00 17.56 C ATOM 344 H ILE A 36 -13.986 13.905 13.299 1.00 0.00 H ATOM 345 N ASN A 37 -15.092 15.987 16.463 1.00 14.91 N ATOM 346 CA ASN A 37 -14.522 15.970 17.803 1.00 18.34 C ATOM 347 C ASN A 37 -15.529 15.520 18.810 1.00 17.11 C ATOM 348 O ASN A 37 -16.678 16.045 18.899 1.00 15.12 O ATOM 349 CB ASN A 37 -13.911 17.267 18.243 1.00 20.82 C ATOM 350 CG ASN A 37 -14.603 18.390 17.708 1.00 21.57 C ATOM 351 OD1 ASN A 37 -14.172 19.008 16.693 1.00 30.54 O ATOM 352 ND2 ASN A 37 -15.693 18.733 18.330 1.00 28.33 N ATOM 353 HD22 ASN A 37 -16.009 18.194 19.162 1.00 0.00 H ATOM 354 HD21 ASN A 37 -16.249 19.546 17.996 1.00 0.00 H ATOM 355 H ASN A 37 -15.863 16.647 16.236 1.00 0.00 H ATOM 356 N LEU A 38 -15.108 14.501 19.555 1.00 18.39 N ATOM 357 CA LEU A 38 -16.017 13.964 20.523 1.00 16.02 C ATOM 358 C LEU A 38 -15.311 13.920 21.863 1.00 16.12 C ATOM 359 O LEU A 38 -14.087 13.741 21.942 1.00 17.98 O ATOM 360 CB LEU A 38 -16.387 12.517 20.109 1.00 16.04 C ATOM 361 CG LEU A 38 -17.242 12.486 18.858 1.00 15.27 C ATOM 362 CD1 LEU A 38 -17.451 10.994 18.491 1.00 17.04 C ATOM 363 CD2 LEU A 38 -18.584 13.167 19.050 1.00 16.10 C ATOM 364 H LEU A 38 -14.152 14.108 19.438 1.00 0.00 H ATOM 365 N PRO A 39 -16.076 14.078 22.936 1.00 15.55 N ATOM 366 CA PRO A 39 -15.450 14.091 24.275 1.00 16.97 C ATOM 367 C PRO A 39 -15.300 12.698 24.877 1.00 15.87 C ATOM 368 O PRO A 39 -15.932 11.741 24.453 1.00 18.14 O ATOM 369 CB PRO A 39 -16.497 14.861 25.107 1.00 20.34 C ATOM 370 CG PRO A 39 -17.815 14.454 24.453 1.00 18.25 C ATOM 371 CD PRO A 39 -17.515 14.347 22.976 1.00 16.36 C ATOM 372 N GLY A 40 -14.476 12.580 25.891 1.00 16.18 N ATOM 373 CA GLY A 40 -14.391 11.367 26.682 1.00 19.03 C ATOM 374 C GLY A 40 -13.420 10.372 26.150 1.00 18.29 C ATOM 375 O GLY A 40 -12.669 10.589 25.209 1.00 19.28 O ATOM 376 H GLY A 40 -13.863 13.383 26.136 1.00 0.00 H ATOM 377 N ARG A 41 -13.400 9.251 26.864 1.00 22.68 N ATOM 378 CA ARG A 41 -12.557 8.133 26.507 1.00 23.46 C ATOM 379 C ARG A 41 -12.970 7.426 25.243 1.00 22.96 C ATOM 380 O ARG A 41 -14.146 7.419 24.882 1.00 23.64 O ATOM 381 CB ARG A 41 -12.601 7.124 27.636 1.00 26.32 C ATOM 382 CG ARG A 41 -12.099 7.692 28.963 1.00 33.99 C ATOM 383 CD ARG A 41 -10.738 8.414 28.807 1.00 43.23 C ATOM 384 NE ARG A 41 -9.629 7.508 28.490 1.00 47.78 N ATOM 385 CZ ARG A 41 -8.997 6.744 29.371 1.00 49.16 C ATOM 386 NH1 ARG A 41 -9.349 6.754 30.666 1.00 50.29 N ATOM 387 NH2 ARG A 41 -7.992 5.977 28.969 1.00 50.83 N ATOM 388 HE ARG A 41 -9.314 7.461 27.500 1.00 0.00 H ATOM 389 HH12 ARG A 41 -8.845 6.150 31.346 1.00 0.00 H ATOM 390 HH11 ARG A 41 -10.126 7.366 30.989 1.00 0.00 H ATOM 391 HH22 ARG A 41 -7.491 5.375 29.653 1.00 0.00 H ATOM 392 HH21 ARG A 41 -7.705 5.978 27.969 1.00 0.00 H ATOM 393 H ARG A 41 -14.009 9.176 27.704 1.00 0.00 H ATOM 394 N TRP A 42 -11.990 6.849 24.586 1.00 23.94 N ATOM 395 CA TRP A 42 -12.274 6.050 23.424 1.00 22.86 C ATOM 396 C TRP A 42 -11.465 4.784 23.486 1.00 23.97 C ATOM 397 O TRP A 42 -10.532 4.662 24.270 1.00 27.18 O ATOM 398 CB TRP A 42 -11.952 6.839 22.149 1.00 24.40 C ATOM 399 CG TRP A 42 -10.611 7.462 22.134 1.00 27.75 C ATOM 400 CD1 TRP A 42 -10.284 8.740 22.630 1.00 31.55 C ATOM 401 CD2 TRP A 42 -9.414 6.911 21.631 1.00 31.99 C ATOM 402 NE1 TRP A 42 -8.935 8.972 22.452 1.00 35.29 N ATOM 403 CE2 TRP A 42 -8.368 7.872 21.872 1.00 35.26 C ATOM 404 CE3 TRP A 42 -9.091 5.689 21.034 1.00 34.07 C ATOM 405 CZ2 TRP A 42 -7.034 7.637 21.523 1.00 40.47 C ATOM 406 CZ3 TRP A 42 -7.721 5.428 20.718 1.00 38.10 C ATOM 407 CH2 TRP A 42 -6.729 6.421 20.938 1.00 42.41 C ATOM 408 HE1 TRP A 42 -8.432 9.843 22.716 1.00 0.00 H ATOM 409 H TRP A 42 -11.008 6.970 24.906 1.00 0.00 H ATOM 410 N LYS A 43 -11.847 3.830 22.671 1.00 22.75 N ATOM 411 CA LYS A 43 -11.164 2.553 22.531 1.00 25.25 C ATOM 412 C LYS A 43 -10.621 2.418 21.089 1.00 23.73 C ATOM 413 O LYS A 43 -11.254 2.804 20.075 1.00 22.53 O ATOM 414 CB LYS A 43 -12.157 1.416 22.840 1.00 28.65 C ATOM 415 CG LYS A 43 -12.537 1.222 24.300 1.00 33.97 C ATOM 416 CD LYS A 43 -11.330 0.923 25.199 1.00 41.51 C ATOM 417 CE LYS A 43 -11.725 0.439 26.615 1.00 43.46 C ATOM 418 NZ LYS A 43 -11.322 -1.025 26.824 1.00 44.56 N ATOM 419 HZ1 LYS A 43 -11.804 -1.620 26.120 1.00 0.00 H ATOM 420 HZ2 LYS A 43 -10.292 -1.119 26.713 1.00 0.00 H ATOM 421 HZ3 LYS A 43 -11.597 -1.326 27.781 1.00 0.00 H ATOM 422 H LYS A 43 -12.692 3.997 22.088 1.00 0.00 H ATOM 423 N PRO A 44 -9.358 1.951 20.863 1.00 25.55 N ATOM 424 CA PRO A 44 -8.867 1.910 19.439 1.00 24.17 C ATOM 425 C PRO A 44 -9.537 0.804 18.521 1.00 24.54 C ATOM 426 O PRO A 44 -9.924 -0.271 19.046 1.00 27.47 O ATOM 427 CB PRO A 44 -7.351 1.587 19.568 1.00 25.46 C ATOM 428 CG PRO A 44 -7.178 1.166 20.931 1.00 27.76 C ATOM 429 CD PRO A 44 -8.259 1.719 21.816 1.00 25.95 C ATOM 430 N LYS A 45 -9.616 0.995 17.197 1.00 21.67 N ATOM 431 CA LYS A 45 -10.047 -0.134 16.316 1.00 22.20 C ATOM 432 C LYS A 45 -9.703 -0.011 14.868 1.00 21.38 C ATOM 433 O LYS A 45 -9.232 1.016 14.437 1.00 19.65 O ATOM 434 CB LYS A 45 -11.512 -0.493 16.496 1.00 23.34 C ATOM 435 CG LYS A 45 -11.841 -0.692 17.950 1.00 24.96 C ATOM 436 CD LYS A 45 -13.260 -1.117 18.235 1.00 28.45 C ATOM 437 CE LYS A 45 -13.565 -2.474 17.654 1.00 30.38 C ATOM 438 NZ LYS A 45 -14.767 -3.069 18.280 1.00 29.06 N ATOM 439 HZ1 LYS A 45 -14.608 -3.174 19.302 1.00 0.00 H ATOM 440 HZ2 LYS A 45 -15.585 -2.447 18.117 1.00 0.00 H ATOM 441 HZ3 LYS A 45 -14.950 -4.002 17.859 1.00 0.00 H ATOM 442 H LYS A 45 -9.380 1.920 16.786 1.00 0.00 H ATOM 443 N MET A 46 -9.939 -1.076 14.089 1.00 24.34 N ATOM 444 CA MET A 46 -9.684 -1.080 12.683 1.00 24.67 C ATOM 445 C MET A 46 -10.977 -1.535 11.994 1.00 23.71 C ATOM 446 O MET A 46 -11.703 -2.394 12.539 1.00 28.77 O ATOM 447 CB MET A 46 -8.606 -2.091 12.382 1.00 27.20 C ATOM 448 CG MET A 46 -7.943 -2.711 13.632 1.00 31.99 C ATOM 449 SD MET A 46 -6.615 -1.552 13.965 1.00 39.12 S ATOM 450 CE MET A 46 -5.348 -2.186 12.900 1.00 25.68 C ATOM 451 H MET A 46 -10.324 -1.937 14.527 1.00 0.00 H ATOM 452 N VAL A 47 -11.202 -1.015 10.767 1.00 19.61 N ATOM 453 CA VAL A 47 -12.270 -1.420 9.822 1.00 19.52 C ATOM 454 C VAL A 47 -11.714 -1.764 8.441 1.00 17.30 C ATOM 455 O VAL A 47 -10.769 -1.152 7.952 1.00 17.79 O ATOM 456 CB VAL A 47 -13.351 -0.308 9.764 1.00 20.11 C ATOM 457 CG1 VAL A 47 -14.442 -0.691 10.686 1.00 19.34 C ATOM 458 CG2 VAL A 47 -12.674 1.074 10.297 1.00 22.92 C ATOM 459 H VAL A 47 -10.563 -0.256 10.455 1.00 0.00 H ATOM 460 N GLY A 48 -12.284 -2.782 7.826 1.00 16.68 N ATOM 461 CA GLY A 48 -11.764 -3.293 6.577 1.00 15.82 C ATOM 462 C GLY A 48 -12.691 -3.089 5.420 1.00 14.89 C ATOM 463 O GLY A 48 -13.893 -3.245 5.555 1.00 15.65 O ATOM 464 H GLY A 48 -13.124 -3.226 8.248 1.00 0.00 H ATOM 465 N GLY A 49 -12.145 -2.678 4.273 1.00 14.31 N ATOM 466 CA GLY A 49 -12.993 -2.603 3.111 1.00 16.35 C ATOM 467 C GLY A 49 -12.218 -2.907 1.870 1.00 15.22 C ATOM 468 O GLY A 49 -11.170 -3.543 1.863 1.00 17.28 O ATOM 469 H GLY A 49 -11.139 -2.420 4.220 1.00 0.00 H ATOM 470 N ILE A 50 -12.776 -2.462 0.770 1.00 16.14 N ATOM 471 CA ILE A 50 -12.155 -2.512 -0.521 1.00 21.08 C ATOM 472 C ILE A 50 -10.898 -1.699 -0.403 1.00 23.71 C ATOM 473 O ILE A 50 -10.896 -0.489 0.022 1.00 26.38 O ATOM 474 CB ILE A 50 -13.087 -2.002 -1.640 1.00 18.79 C ATOM 475 CG1 ILE A 50 -14.090 -3.100 -1.985 1.00 23.13 C ATOM 476 CG2 ILE A 50 -12.378 -1.650 -2.903 1.00 22.00 C ATOM 477 CD1 ILE A 50 -15.328 -2.557 -2.608 1.00 22.08 C ATOM 478 H ILE A 50 -13.727 -2.047 0.838 1.00 0.00 H ATOM 479 N GLY A 51 -9.855 -2.439 -0.743 1.00 24.43 N ATOM 480 CA GLY A 51 -8.483 -2.079 -0.606 1.00 26.09 C ATOM 481 C GLY A 51 -7.737 -1.727 0.667 1.00 25.28 C ATOM 482 O GLY A 51 -6.665 -1.082 0.588 1.00 26.77 O ATOM 483 H GLY A 51 -10.056 -3.375 -1.150 1.00 0.00 H ATOM 484 N GLY A 52 -8.207 -2.139 1.830 1.00 22.15 N ATOM 485 CA GLY A 52 -7.437 -1.836 3.056 1.00 24.80 C ATOM 486 C GLY A 52 -8.233 -1.782 4.366 1.00 23.23 C ATOM 487 O GLY A 52 -9.473 -1.729 4.278 1.00 24.85 O ATOM 488 H GLY A 52 -9.102 -2.667 1.883 1.00 0.00 H ATOM 489 N PHE A 53 -7.542 -1.922 5.552 1.00 26.48 N ATOM 490 CA PHE A 53 -8.074 -1.626 6.931 1.00 24.51 C ATOM 491 C PHE A 53 -7.653 -0.188 7.342 1.00 25.05 C ATOM 492 O PHE A 53 -6.628 0.391 6.891 1.00 24.92 O ATOM 493 CB PHE A 53 -7.716 -2.643 8.081 1.00 20.96 C ATOM 494 CG PHE A 53 -8.675 -3.969 8.264 1.00 23.23 C ATOM 495 CD1 PHE A 53 -8.637 -5.101 7.355 1.00 21.43 C ATOM 496 CD2 PHE A 53 -9.478 -4.136 9.447 1.00 19.49 C ATOM 497 CE1 PHE A 53 -9.528 -6.246 7.602 1.00 17.96 C ATOM 498 CE2 PHE A 53 -10.373 -5.294 9.693 1.00 15.58 C ATOM 499 CZ PHE A 53 -10.422 -6.310 8.709 1.00 18.22 C ATOM 500 H PHE A 53 -6.562 -2.264 5.489 1.00 0.00 H ATOM 501 N LEU A 54 -8.461 0.404 8.191 1.00 25.65 N ATOM 502 CA LEU A 54 -8.194 1.743 8.623 1.00 27.02 C ATOM 503 C LEU A 54 -8.181 1.741 10.105 1.00 27.38 C ATOM 504 O LEU A 54 -8.667 0.843 10.814 1.00 28.45 O ATOM 505 CB LEU A 54 -9.275 2.692 8.071 1.00 26.56 C ATOM 506 CG LEU A 54 -9.624 3.990 8.820 1.00 28.53 C ATOM 507 CD1 LEU A 54 -8.964 5.194 8.186 1.00 27.85 C ATOM 508 CD2 LEU A 54 -11.124 4.237 8.825 1.00 28.84 C ATOM 509 H LEU A 54 -9.296 -0.100 8.550 1.00 0.00 H ATOM 510 N LYS A 55 -7.598 2.785 10.582 1.00 26.83 N ATOM 511 CA LYS A 55 -7.479 2.922 12.016 1.00 28.86 C ATOM 512 C LYS A 55 -8.492 3.935 12.441 1.00 26.41 C ATOM 513 O LYS A 55 -8.603 5.040 11.836 1.00 29.31 O ATOM 514 CB LYS A 55 -6.070 3.394 12.412 1.00 31.19 C ATOM 515 CG LYS A 55 -5.018 2.188 12.221 1.00 33.50 C ATOM 516 CD LYS A 55 -3.681 2.330 13.031 1.00 40.94 C ATOM 517 CE LYS A 55 -3.880 2.131 14.582 1.00 46.02 C ATOM 518 NZ LYS A 55 -5.042 1.221 15.020 1.00 50.51 N ATOM 519 HZ1 LYS A 55 -5.939 1.612 14.668 1.00 0.00 H ATOM 520 HZ2 LYS A 55 -4.901 0.268 14.629 1.00 0.00 H ATOM 521 HZ3 LYS A 55 -5.068 1.170 16.058 1.00 0.00 H ATOM 522 H LYS A 55 -7.220 3.517 9.947 1.00 0.00 H ATOM 523 N VAL A 56 -9.273 3.516 13.447 1.00 24.51 N ATOM 524 CA VAL A 56 -10.317 4.387 14.037 1.00 21.75 C ATOM 525 C VAL A 56 -10.299 4.452 15.583 1.00 22.23 C ATOM 526 O VAL A 56 -9.707 3.612 16.265 1.00 23.06 O ATOM 527 CB VAL A 56 -11.698 3.978 13.536 1.00 23.47 C ATOM 528 CG1 VAL A 56 -11.850 4.036 11.959 1.00 25.69 C ATOM 529 CG2 VAL A 56 -12.030 2.664 14.113 1.00 20.36 C ATOM 530 H VAL A 56 -9.143 2.555 13.823 1.00 0.00 H ATOM 531 N ARG A 57 -11.052 5.423 16.102 1.00 20.21 N ATOM 532 CA ARG A 57 -11.283 5.617 17.531 1.00 18.33 C ATOM 533 C ARG A 57 -12.772 5.343 17.820 1.00 16.03 C ATOM 534 O ARG A 57 -13.641 5.987 17.205 1.00 15.95 O ATOM 535 CB ARG A 57 -10.905 7.060 17.921 1.00 18.57 C ATOM 536 CG ARG A 57 -9.570 7.541 17.332 1.00 19.98 C ATOM 537 CD ARG A 57 -9.129 9.013 17.713 1.00 22.96 C ATOM 538 NE ARG A 57 -10.098 10.132 17.590 1.00 26.80 N ATOM 539 CZ ARG A 57 -10.033 11.170 16.722 1.00 26.81 C ATOM 540 NH1 ARG A 57 -9.072 11.264 15.808 1.00 26.28 N ATOM 541 NH2 ARG A 57 -10.953 12.136 16.745 1.00 25.77 N ATOM 542 HE ARG A 57 -10.911 10.117 18.238 1.00 0.00 H ATOM 543 HH12 ARG A 57 -9.051 12.074 15.157 1.00 0.00 H ATOM 544 HH11 ARG A 57 -8.341 10.527 15.744 1.00 0.00 H ATOM 545 HH22 ARG A 57 -10.892 12.928 16.074 1.00 0.00 H ATOM 546 HH21 ARG A 57 -11.731 12.097 17.434 1.00 0.00 H ATOM 547 H ARG A 57 -11.506 6.088 15.444 1.00 0.00 H ATOM 548 N GLU A 58 -13.074 4.399 18.719 1.00 14.32 N ATOM 549 CA GLU A 58 -14.449 4.133 19.042 1.00 14.17 C ATOM 550 C GLU A 58 -14.857 4.938 20.243 1.00 14.75 C ATOM 551 O GLU A 58 -14.297 4.738 21.308 1.00 17.29 O ATOM 552 CB GLU A 58 -14.710 2.612 19.249 1.00 16.71 C ATOM 553 CG GLU A 58 -16.192 2.402 19.468 1.00 20.19 C ATOM 554 CD GLU A 58 -16.637 0.951 19.484 1.00 26.65 C ATOM 555 OE1 GLU A 58 -16.990 0.343 18.425 1.00 31.29 O ATOM 556 OE2 GLU A 58 -16.710 0.387 20.570 1.00 26.68 O ATOM 557 H GLU A 58 -12.316 3.859 19.183 1.00 0.00 H ATOM 558 N TYR A 59 -16.030 5.562 20.060 1.00 13.66 N ATOM 559 CA TYR A 59 -16.874 6.202 21.073 1.00 13.63 C ATOM 560 C TYR A 59 -18.219 5.532 21.227 1.00 14.90 C ATOM 561 O TYR A 59 -18.945 5.300 20.265 1.00 14.38 O ATOM 562 CB TYR A 59 -17.080 7.672 20.738 1.00 13.19 C ATOM 563 CG TYR A 59 -15.804 8.496 20.794 1.00 11.96 C ATOM 564 CD1 TYR A 59 -14.949 8.579 19.699 1.00 13.50 C ATOM 565 CD2 TYR A 59 -15.448 9.165 21.968 1.00 13.35 C ATOM 566 CE1 TYR A 59 -13.812 9.322 19.718 1.00 12.25 C ATOM 567 CE2 TYR A 59 -14.303 9.913 21.991 1.00 12.34 C ATOM 568 CZ TYR A 59 -13.492 10.006 20.877 1.00 13.56 C ATOM 569 OH TYR A 59 -12.360 10.787 20.987 1.00 14.49 O ATOM 570 HH TYR A 59 -12.622 11.717 21.204 1.00 0.00 H ATOM 571 H TYR A 59 -16.383 5.596 19.082 1.00 0.00 H ATOM 572 N ASP A 60 -18.555 5.198 22.456 1.00 17.13 N ATOM 573 CA ASP A 60 -19.824 4.492 22.749 1.00 19.23 C ATOM 574 C ASP A 60 -20.975 5.378 23.163 1.00 21.34 C ATOM 575 O ASP A 60 -22.149 4.934 23.080 1.00 23.24 O ATOM 576 CB ASP A 60 -19.629 3.386 23.813 1.00 21.23 C ATOM 577 CG ASP A 60 -18.886 2.218 23.265 1.00 23.33 C ATOM 578 OD1 ASP A 60 -18.838 2.125 22.019 1.00 27.91 O ATOM 579 OD2 ASP A 60 -18.386 1.438 24.073 1.00 30.37 O ATOM 580 H ASP A 60 -17.914 5.436 23.240 1.00 0.00 H ATOM 581 N GLN A 61 -20.707 6.545 23.716 1.00 21.87 N ATOM 582 CA GLN A 61 -21.899 7.396 23.910 1.00 24.80 C ATOM 583 C GLN A 61 -22.377 8.112 22.599 1.00 24.00 C ATOM 584 O GLN A 61 -23.033 7.580 21.762 1.00 23.07 O ATOM 585 CB GLN A 61 -21.737 8.329 25.160 1.00 26.57 C ATOM 586 CG GLN A 61 -20.679 7.885 26.240 1.00 31.47 C ATOM 587 CD GLN A 61 -21.237 7.284 27.547 1.00 33.17 C ATOM 588 OE1 GLN A 61 -20.833 6.186 27.965 1.00 34.73 O ATOM 589 NE2 GLN A 61 -22.126 8.031 28.220 1.00 34.07 N ATOM 590 HE22 GLN A 61 -22.437 8.945 27.832 1.00 0.00 H ATOM 591 HE21 GLN A 61 -22.504 7.696 29.129 1.00 0.00 H ATOM 592 H GLN A 61 -19.747 6.838 23.990 1.00 0.00 H ATOM 593 N VAL A 62 -22.044 9.363 22.413 1.00 21.67 N ATOM 594 CA VAL A 62 -22.314 10.061 21.182 1.00 17.17 C ATOM 595 C VAL A 62 -23.773 10.090 20.651 1.00 13.40 C ATOM 596 O VAL A 62 -24.315 9.064 20.228 1.00 14.00 O ATOM 597 CB VAL A 62 -21.405 9.613 20.029 1.00 15.39 C ATOM 598 CG1 VAL A 62 -21.358 10.746 19.004 1.00 17.07 C ATOM 599 CG2 VAL A 62 -19.998 9.256 20.483 1.00 18.15 C ATOM 600 H VAL A 62 -21.566 9.873 23.183 1.00 0.00 H ATOM 601 N PRO A 63 -24.372 11.270 20.656 1.00 12.95 N ATOM 602 CA PRO A 63 -25.678 11.492 20.095 1.00 12.65 C ATOM 603 C PRO A 63 -25.623 11.647 18.574 1.00 12.41 C ATOM 604 O PRO A 63 -24.773 12.372 18.016 1.00 13.23 O ATOM 605 CB PRO A 63 -26.159 12.817 20.750 1.00 13.01 C ATOM 606 CG PRO A 63 -24.902 13.542 20.987 1.00 13.93 C ATOM 607 CD PRO A 63 -23.840 12.475 21.343 1.00 14.35 C ATOM 608 N ILE A 64 -26.629 11.094 17.919 1.00 12.27 N ATOM 609 CA ILE A 64 -26.774 11.091 16.470 1.00 13.01 C ATOM 610 C ILE A 64 -28.225 11.401 16.157 1.00 12.72 C ATOM 611 O ILE A 64 -29.107 10.579 16.423 1.00 12.49 O ATOM 612 CB ILE A 64 -26.517 9.714 15.885 1.00 14.16 C ATOM 613 CG1 ILE A 64 -25.099 9.241 16.162 1.00 15.65 C ATOM 614 CG2 ILE A 64 -26.677 9.867 14.406 1.00 14.06 C ATOM 615 CD1 ILE A 64 -24.658 8.291 15.065 1.00 18.36 C ATOM 616 H ILE A 64 -27.371 10.627 18.479 1.00 0.00 H ATOM 617 N GLU A 65 -28.456 12.569 15.572 1.00 13.75 N ATOM 618 CA GLU A 65 -29.798 13.010 15.121 1.00 14.35 C ATOM 619 C GLU A 65 -29.837 12.684 13.630 1.00 13.83 C ATOM 620 O GLU A 65 -29.021 13.199 12.816 1.00 15.85 O ATOM 621 CB GLU A 65 -30.003 14.463 15.346 1.00 16.63 C ATOM 622 CG GLU A 65 -29.905 14.854 16.795 1.00 20.96 C ATOM 623 CD GLU A 65 -30.234 16.286 17.059 1.00 25.65 C ATOM 624 OE1 GLU A 65 -30.595 17.021 16.063 1.00 26.80 O ATOM 625 OE2 GLU A 65 -30.004 16.675 18.232 1.00 30.29 O ATOM 626 H GLU A 65 -27.652 13.211 15.421 1.00 0.00 H ATOM 627 N ILE A 66 -30.792 11.833 13.276 1.00 15.82 N ATOM 628 CA ILE A 66 -30.871 11.307 11.927 1.00 16.34 C ATOM 629 C ILE A 66 -32.359 11.001 11.607 1.00 17.05 C ATOM 630 O ILE A 66 -33.042 10.347 12.362 1.00 17.44 O ATOM 631 CB ILE A 66 -29.965 10.063 11.772 1.00 14.81 C ATOM 632 CG1 ILE A 66 -30.196 9.492 10.385 1.00 17.83 C ATOM 633 CG2 ILE A 66 -30.277 8.967 12.852 1.00 16.41 C ATOM 634 CD1 ILE A 66 -29.149 8.438 10.001 1.00 17.04 C ATOM 635 H ILE A 66 -31.498 11.537 13.980 1.00 0.00 H ATOM 636 N CYS A 67 -32.779 11.601 10.498 1.00 18.05 N ATOM 637 CA CYS A 67 -34.081 11.328 9.889 1.00 21.54 C ATOM 638 C CYS A 67 -35.204 11.538 10.894 1.00 21.88 C ATOM 639 O CYS A 67 -36.211 10.751 10.922 1.00 23.41 O ATOM 640 CB CYS A 67 -34.134 9.866 9.307 1.00 22.44 C ATOM 641 H CYS A 67 -32.154 12.296 10.042 1.00 0.00 H ATOM 642 N GLY A 68 -35.037 12.566 11.712 1.00 21.91 N ATOM 643 CA GLY A 68 -36.091 12.916 12.691 1.00 23.11 C ATOM 644 C GLY A 68 -36.037 12.107 13.991 1.00 22.32 C ATOM 645 O GLY A 68 -36.842 12.291 14.914 1.00 27.22 O ATOM 646 H GLY A 68 -34.164 13.129 11.667 1.00 0.00 H ATOM 647 N HIS A 69 -35.025 11.252 14.114 1.00 20.93 N ATOM 648 CA HIS A 69 -34.834 10.460 15.321 1.00 22.26 C ATOM 649 C HIS A 69 -33.589 10.881 16.022 1.00 21.03 C ATOM 650 O HIS A 69 -32.722 11.482 15.411 1.00 21.94 O ATOM 651 CB HIS A 69 -34.688 8.984 14.968 1.00 23.92 C ATOM 652 CG HIS A 69 -35.857 8.442 14.228 1.00 26.40 C ATOM 653 ND1 HIS A 69 -37.123 8.343 14.770 1.00 35.61 N ATOM 654 CD2 HIS A 69 -35.955 8.043 12.949 1.00 28.41 C ATOM 655 CE1 HIS A 69 -37.935 7.831 13.856 1.00 34.66 C ATOM 656 NE2 HIS A 69 -37.240 7.625 12.749 1.00 31.97 N ATOM 657 H HIS A 69 -34.353 11.147 13.328 1.00 0.00 H ATOM 658 N LYS A 70 -33.448 10.540 17.259 1.00 23.41 N ATOM 659 CA LYS A 70 -32.279 10.797 18.015 1.00 23.69 C ATOM 660 C LYS A 70 -31.897 9.496 18.604 1.00 21.02 C ATOM 661 O LYS A 70 -32.770 8.837 19.232 1.00 24.33 O ATOM 662 CB LYS A 70 -32.545 11.925 19.060 1.00 25.91 C ATOM 663 CG LYS A 70 -33.113 13.218 18.370 1.00 32.71 C ATOM 664 CD LYS A 70 -33.236 14.416 19.273 1.00 40.58 C ATOM 665 CE LYS A 70 -34.652 14.974 19.243 1.00 43.90 C ATOM 666 NZ LYS A 70 -35.261 14.981 20.626 1.00 49.27 N ATOM 667 HZ1 LYS A 70 -35.293 14.009 20.994 1.00 0.00 H ATOM 668 HZ2 LYS A 70 -34.682 15.573 21.255 1.00 0.00 H ATOM 669 HZ3 LYS A 70 -36.226 15.366 20.577 1.00 0.00 H ATOM 670 H LYS A 70 -34.237 10.049 17.726 1.00 0.00 H ATOM 671 N VAL A 71 -30.734 9.005 18.381 1.00 19.59 N ATOM 672 CA VAL A 71 -30.532 7.709 18.927 1.00 19.32 C ATOM 673 C VAL A 71 -29.246 8.022 19.632 1.00 17.87 C ATOM 674 O VAL A 71 -28.744 9.202 19.559 1.00 15.53 O ATOM 675 CB VAL A 71 -30.448 6.692 17.809 1.00 19.57 C ATOM 676 CG1 VAL A 71 -31.812 6.630 17.087 1.00 20.63 C ATOM 677 CG2 VAL A 71 -29.285 7.064 16.836 1.00 17.67 C ATOM 678 H VAL A 71 -30.001 9.512 17.846 1.00 0.00 H ATOM 679 N ILE A 72 -28.804 7.003 20.374 1.00 19.04 N ATOM 680 CA ILE A 72 -27.499 6.980 21.012 1.00 19.52 C ATOM 681 C ILE A 72 -26.808 5.765 20.406 1.00 19.23 C ATOM 682 O ILE A 72 -27.358 4.666 20.397 1.00 20.91 O ATOM 683 CB ILE A 72 -27.625 6.824 22.561 1.00 20.61 C ATOM 684 CG1 ILE A 72 -28.458 7.964 23.144 1.00 22.66 C ATOM 685 CG2 ILE A 72 -26.218 6.747 23.198 1.00 23.93 C ATOM 686 CD1 ILE A 72 -27.863 9.299 22.917 1.00 20.77 C ATOM 687 H ILE A 72 -29.428 6.181 20.502 1.00 0.00 H ATOM 688 N GLY A 73 -25.595 5.942 19.892 1.00 17.43 N ATOM 689 CA GLY A 73 -25.026 4.893 19.087 1.00 18.25 C ATOM 690 C GLY A 73 -23.555 4.858 19.341 1.00 16.12 C ATOM 691 O GLY A 73 -23.026 5.769 19.962 1.00 17.14 O ATOM 692 H GLY A 73 -25.068 6.821 20.068 1.00 0.00 H ATOM 693 N THR A 74 -22.890 3.825 18.836 1.00 15.15 N ATOM 694 CA THR A 74 -21.418 3.780 18.687 1.00 15.48 C ATOM 695 C THR A 74 -20.946 4.478 17.420 1.00 13.57 C ATOM 696 O THR A 74 -21.508 4.266 16.354 1.00 13.96 O ATOM 697 CB THR A 74 -20.839 2.376 18.579 1.00 16.28 C ATOM 698 OG1 THR A 74 -20.823 1.794 19.844 1.00 18.09 O ATOM 699 CG2 THR A 74 -19.443 2.329 17.777 1.00 19.68 C ATOM 700 HG1 THR A 74 -20.263 2.341 20.451 1.00 0.00 H ATOM 701 H THR A 74 -23.437 2.997 18.526 1.00 0.00 H ATOM 702 N VAL A 75 -19.943 5.321 17.575 1.00 11.98 N ATOM 703 CA VAL A 75 -19.399 6.021 16.477 1.00 12.47 C ATOM 704 C VAL A 75 -17.973 5.765 16.488 1.00 12.13 C ATOM 705 O VAL A 75 -17.268 5.846 17.501 1.00 12.96 O ATOM 706 CB VAL A 75 -19.751 7.515 16.541 1.00 11.12 C ATOM 707 CG1 VAL A 75 -19.134 8.200 15.393 1.00 14.86 C ATOM 708 CG2 VAL A 75 -21.274 7.642 16.576 1.00 15.26 C ATOM 709 H VAL A 75 -19.546 5.472 18.524 1.00 0.00 H ATOM 710 N LEU A 76 -17.524 5.371 15.324 1.00 12.10 N ATOM 711 CA LEU A 76 -16.117 5.305 15.006 1.00 12.25 C ATOM 712 C LEU A 76 -15.677 6.602 14.331 1.00 12.49 C ATOM 713 O LEU A 76 -16.451 7.231 13.586 1.00 14.30 O ATOM 714 CB LEU A 76 -15.817 4.172 14.012 1.00 13.49 C ATOM 715 CG LEU A 76 -16.359 2.814 14.526 1.00 13.67 C ATOM 716 CD1 LEU A 76 -16.148 1.797 13.366 1.00 16.31 C ATOM 717 CD2 LEU A 76 -15.636 2.387 15.796 1.00 15.18 C ATOM 718 H LEU A 76 -18.211 5.093 14.595 1.00 0.00 H ATOM 719 N VAL A 77 -14.492 7.074 14.715 1.00 13.14 N ATOM 720 CA VAL A 77 -13.924 8.258 14.104 1.00 13.49 C ATOM 721 C VAL A 77 -12.597 7.927 13.486 1.00 15.78 C ATOM 722 O VAL A 77 -11.681 7.413 14.164 1.00 17.35 O ATOM 723 CB VAL A 77 -13.710 9.383 15.172 1.00 14.76 C ATOM 724 CG1 VAL A 77 -13.105 10.636 14.474 1.00 17.00 C ATOM 725 CG2 VAL A 77 -15.034 9.717 15.833 1.00 15.65 C ATOM 726 H VAL A 77 -13.966 6.584 15.466 1.00 0.00 H ATOM 727 N GLY A 78 -12.444 8.278 12.220 1.00 15.08 N ATOM 728 CA GLY A 78 -11.139 8.050 11.529 1.00 18.80 C ATOM 729 C GLY A 78 -11.261 8.506 10.089 1.00 18.42 C ATOM 730 O GLY A 78 -12.338 8.978 9.650 1.00 18.95 O ATOM 731 H GLY A 78 -13.235 8.714 11.704 1.00 0.00 H ATOM 732 N PRO A 79 -10.168 8.432 9.326 1.00 19.87 N ATOM 733 CA PRO A 79 -10.046 9.194 8.036 1.00 22.19 C ATOM 734 C PRO A 79 -10.745 8.555 6.798 1.00 22.08 C ATOM 735 O PRO A 79 -10.149 8.322 5.753 1.00 24.97 O ATOM 736 CB PRO A 79 -8.523 9.395 7.898 1.00 24.43 C ATOM 737 CG PRO A 79 -7.925 8.169 8.668 1.00 22.83 C ATOM 738 CD PRO A 79 -8.872 7.899 9.805 1.00 22.29 C ATOM 739 N THR A 80 -12.005 8.213 6.943 1.00 19.75 N ATOM 740 CA THR A 80 -12.767 7.558 5.922 1.00 17.74 C ATOM 741 C THR A 80 -12.952 8.587 4.815 1.00 18.67 C ATOM 742 O THR A 80 -13.118 9.776 5.089 1.00 19.25 O ATOM 743 CB THR A 80 -14.163 7.089 6.492 1.00 16.28 C ATOM 744 OG1 THR A 80 -14.931 6.593 5.416 1.00 18.20 O ATOM 745 CG2 THR A 80 -14.884 8.259 7.215 1.00 17.40 C ATOM 746 HG1 THR A 80 -15.059 7.310 4.745 1.00 0.00 H ATOM 747 H THR A 80 -12.474 8.429 7.846 1.00 0.00 H ATOM 748 N PRO A 81 -13.061 8.109 3.553 1.00 19.66 N ATOM 749 CA PRO A 81 -13.228 9.088 2.469 1.00 21.12 C ATOM 750 C PRO A 81 -14.579 9.763 2.412 1.00 18.60 C ATOM 751 O PRO A 81 -14.750 10.870 1.917 1.00 19.26 O ATOM 752 CB PRO A 81 -13.050 8.199 1.188 1.00 23.01 C ATOM 753 CG PRO A 81 -12.482 7.073 1.599 1.00 25.53 C ATOM 754 CD PRO A 81 -12.707 6.784 3.032 1.00 21.57 C ATOM 755 N VAL A 82 -15.579 9.066 2.938 1.00 16.38 N ATOM 756 CA VAL A 82 -16.881 9.660 3.120 1.00 14.79 C ATOM 757 C VAL A 82 -17.360 9.165 4.469 1.00 13.02 C ATOM 758 O VAL A 82 -16.960 8.092 4.978 1.00 13.10 O ATOM 759 CB VAL A 82 -17.869 9.255 1.949 1.00 17.59 C ATOM 760 CG1 VAL A 82 -18.191 7.835 2.064 1.00 17.12 C ATOM 761 CG2 VAL A 82 -19.086 10.020 1.965 1.00 20.62 C ATOM 762 H VAL A 82 -15.422 8.078 3.223 1.00 0.00 H ATOM 763 N ASN A 83 -18.252 9.941 5.045 1.00 12.07 N ATOM 764 CA ASN A 83 -18.836 9.509 6.313 1.00 11.22 C ATOM 765 C ASN A 83 -19.928 8.488 5.978 1.00 10.26 C ATOM 766 O ASN A 83 -20.636 8.635 4.978 1.00 11.30 O ATOM 767 CB ASN A 83 -19.464 10.699 7.020 1.00 12.46 C ATOM 768 CG ASN A 83 -18.435 11.779 7.353 1.00 11.89 C ATOM 769 OD1 ASN A 83 -17.297 11.439 7.722 1.00 14.81 O ATOM 770 ND2 ASN A 83 -18.845 13.028 7.211 1.00 14.76 N ATOM 771 HD22 ASN A 83 -19.817 13.224 6.897 1.00 0.00 H ATOM 772 HD21 ASN A 83 -18.196 13.815 7.414 1.00 0.00 H ATOM 773 H ASN A 83 -18.535 10.841 4.608 1.00 0.00 H ATOM 774 N VAL A 84 -20.096 7.437 6.775 1.00 10.44 N ATOM 775 CA VAL A 84 -21.175 6.470 6.449 1.00 9.74 C ATOM 776 C VAL A 84 -21.942 6.226 7.705 1.00 9.85 C ATOM 777 O VAL A 84 -21.391 6.248 8.805 1.00 10.59 O ATOM 778 CB VAL A 84 -20.622 5.098 5.896 1.00 9.49 C ATOM 779 CG1 VAL A 84 -19.989 5.316 4.544 1.00 12.04 C ATOM 780 CG2 VAL A 84 -19.628 4.496 6.875 1.00 10.50 C ATOM 781 H VAL A 84 -19.487 7.296 7.606 1.00 0.00 H ATOM 782 N ILE A 85 -23.204 5.962 7.499 1.00 10.52 N ATOM 783 CA ILE A 85 -24.161 5.489 8.512 1.00 10.22 C ATOM 784 C ILE A 85 -24.309 4.004 8.260 1.00 10.05 C ATOM 785 O ILE A 85 -24.763 3.574 7.199 1.00 11.34 O ATOM 786 CB ILE A 85 -25.527 6.190 8.366 1.00 11.53 C ATOM 787 CG1 ILE A 85 -25.460 7.726 8.398 1.00 13.45 C ATOM 788 CG2 ILE A 85 -26.479 5.653 9.418 1.00 13.24 C ATOM 789 CD1 ILE A 85 -24.678 8.291 9.613 1.00 14.49 C ATOM 790 H ILE A 85 -23.565 6.098 6.533 1.00 0.00 H ATOM 791 N GLY A 86 -23.916 3.196 9.247 1.00 10.35 N ATOM 792 CA GLY A 86 -23.954 1.775 9.085 1.00 10.95 C ATOM 793 C GLY A 86 -25.193 1.139 9.697 1.00 9.90 C ATOM 794 O GLY A 86 -26.111 1.815 10.202 1.00 10.41 O ATOM 795 H GLY A 86 -23.579 3.603 10.143 1.00 0.00 H ATOM 796 N ARG A 87 -25.197 -0.193 9.705 1.00 10.21 N ATOM 797 CA ARG A 87 -26.372 -0.920 10.163 1.00 10.29 C ATOM 798 C ARG A 87 -26.602 -0.756 11.649 1.00 10.27 C ATOM 799 O ARG A 87 -27.740 -0.833 12.096 1.00 11.32 O ATOM 800 CB ARG A 87 -26.209 -2.388 9.818 1.00 10.69 C ATOM 801 CG ARG A 87 -26.222 -2.668 8.315 1.00 11.05 C ATOM 802 CD ARG A 87 -26.275 -4.145 7.955 1.00 11.08 C ATOM 803 NE ARG A 87 -25.149 -4.872 8.494 1.00 12.66 N ATOM 804 CZ ARG A 87 -25.072 -5.586 9.623 1.00 12.37 C ATOM 805 NH1 ARG A 87 -26.149 -5.821 10.423 1.00 12.81 N ATOM 806 NH2 ARG A 87 -23.857 -6.036 9.981 1.00 14.78 N ATOM 807 HE ARG A 87 -24.278 -4.835 7.926 1.00 0.00 H ATOM 808 HH12 ARG A 87 -26.039 -6.382 11.292 1.00 0.00 H ATOM 809 HH11 ARG A 87 -27.081 -5.439 10.165 1.00 0.00 H ATOM 810 HH22 ARG A 87 -23.745 -6.596 10.850 1.00 0.00 H ATOM 811 HH21 ARG A 87 -23.029 -5.824 9.389 1.00 0.00 H ATOM 812 H ARG A 87 -24.357 -0.716 9.383 1.00 0.00 H ATOM 813 N ASP A 88 -25.548 -0.511 12.417 1.00 11.08 N ATOM 814 CA ASP A 88 -25.751 -0.219 13.848 1.00 12.84 C ATOM 815 C ASP A 88 -26.684 0.936 14.080 1.00 13.43 C ATOM 816 O ASP A 88 -27.579 0.856 14.907 1.00 18.94 O ATOM 817 CB ASP A 88 -24.422 -0.018 14.548 1.00 15.05 C ATOM 818 CG ASP A 88 -23.554 1.101 13.977 1.00 16.25 C ATOM 819 OD1 ASP A 88 -23.769 1.608 12.849 1.00 15.31 O ATOM 820 OD2 ASP A 88 -22.590 1.492 14.703 1.00 23.99 O ATOM 821 H ASP A 88 -24.589 -0.525 12.014 1.00 0.00 H ATOM 822 N THR A 89 -26.550 1.993 13.323 1.00 11.63 N ATOM 823 CA THR A 89 -27.406 3.112 13.474 1.00 12.02 C ATOM 824 C THR A 89 -28.744 2.881 12.727 1.00 10.85 C ATOM 825 O THR A 89 -29.837 3.249 13.215 1.00 12.49 O ATOM 826 CB THR A 89 -26.762 4.393 12.894 1.00 13.47 C ATOM 827 OG1 THR A 89 -25.530 4.608 13.550 1.00 13.06 O ATOM 828 CG2 THR A 89 -27.651 5.605 13.062 1.00 14.31 C ATOM 829 HG1 THR A 89 -24.936 3.831 13.398 1.00 0.00 H ATOM 830 H THR A 89 -25.804 2.013 12.599 1.00 0.00 H ATOM 831 N MET A 90 -28.716 2.320 11.519 1.00 10.82 N ATOM 832 CA MET A 90 -29.921 2.162 10.710 1.00 11.05 C ATOM 833 C MET A 90 -30.913 1.222 11.394 1.00 11.35 C ATOM 834 O MET A 90 -32.132 1.467 11.286 1.00 12.53 O ATOM 835 CB MET A 90 -29.605 1.669 9.296 1.00 12.71 C ATOM 836 CG MET A 90 -28.949 2.795 8.451 1.00 15.21 C ATOM 837 SD MET A 90 -28.887 2.467 6.718 1.00 15.46 S ATOM 838 CE MET A 90 -27.530 1.420 6.734 1.00 14.33 C ATOM 839 H MET A 90 -27.807 1.984 11.140 1.00 0.00 H ATOM 840 N THR A 91 -30.451 0.202 12.075 1.00 10.89 N ATOM 841 CA THR A 91 -31.410 -0.647 12.777 1.00 12.38 C ATOM 842 C THR A 91 -32.108 0.104 13.874 1.00 14.26 C ATOM 843 O THR A 91 -33.299 -0.236 14.180 1.00 16.00 O ATOM 844 CB THR A 91 -30.716 -1.905 13.364 1.00 11.42 C ATOM 845 OG1 THR A 91 -29.640 -1.514 14.195 1.00 14.47 O ATOM 846 CG2 THR A 91 -30.330 -2.880 12.329 1.00 13.24 C ATOM 847 HG1 THR A 91 -28.985 -0.996 13.663 1.00 0.00 H ATOM 848 H THR A 91 -29.431 0.003 12.114 1.00 0.00 H ATOM 849 N GLN A 92 -31.473 1.098 14.481 1.00 14.06 N ATOM 850 CA GLN A 92 -32.103 1.864 15.565 1.00 15.33 C ATOM 851 C GLN A 92 -33.221 2.729 15.077 1.00 16.29 C ATOM 852 O GLN A 92 -34.011 3.210 15.887 1.00 20.85 O ATOM 853 CB GLN A 92 -31.062 2.710 16.262 1.00 17.95 C ATOM 854 CG GLN A 92 -30.120 1.839 17.049 1.00 21.51 C ATOM 855 CD GLN A 92 -29.289 2.544 17.977 1.00 28.81 C ATOM 856 OE1 GLN A 92 -29.709 2.779 19.122 1.00 35.30 O ATOM 857 NE2 GLN A 92 -28.064 2.869 17.552 1.00 36.11 N ATOM 858 HE22 GLN A 92 -27.774 2.643 16.579 1.00 0.00 H ATOM 859 HE21 GLN A 92 -27.401 3.347 18.194 1.00 0.00 H ATOM 860 H GLN A 92 -30.507 1.341 14.183 1.00 0.00 H ATOM 861 N ILE A 93 -33.247 3.063 13.785 1.00 16.08 N ATOM 862 CA ILE A 93 -34.325 3.827 13.196 1.00 17.41 C ATOM 863 C ILE A 93 -35.225 2.961 12.334 1.00 17.38 C ATOM 864 O ILE A 93 -36.137 3.507 11.656 1.00 20.99 O ATOM 865 CB ILE A 93 -33.794 5.078 12.453 1.00 18.56 C ATOM 866 CG1 ILE A 93 -33.018 4.695 11.198 1.00 17.63 C ATOM 867 CG2 ILE A 93 -32.949 5.930 13.406 1.00 21.08 C ATOM 868 CD1 ILE A 93 -32.651 5.875 10.307 1.00 18.32 C ATOM 869 H ILE A 93 -32.459 2.761 13.176 1.00 0.00 H ATOM 870 N GLY A 94 -35.093 1.637 12.397 1.00 15.80 N ATOM 871 CA GLY A 94 -36.021 0.771 11.726 1.00 17.50 C ATOM 872 C GLY A 94 -35.902 0.808 10.213 1.00 15.80 C ATOM 873 O GLY A 94 -36.874 0.514 9.471 1.00 19.22 O ATOM 874 H GLY A 94 -34.307 1.225 12.940 1.00 0.00 H ATOM 875 N CYS A 95 -34.742 1.111 9.668 1.00 15.26 N ATOM 876 CA CYS A 95 -34.603 1.131 8.185 1.00 14.04 C ATOM 877 C CYS A 95 -34.755 -0.227 7.515 1.00 14.36 C ATOM 878 O CYS A 95 -34.379 -1.251 8.101 1.00 15.65 O ATOM 879 CB CYS A 95 -33.194 1.707 7.868 1.00 15.13 C ATOM 880 H CYS A 95 -33.925 1.336 10.271 1.00 0.00 H ATOM 881 N THR A 96 -35.305 -0.238 6.288 1.00 13.64 N ATOM 882 CA THR A 96 -35.474 -1.470 5.559 1.00 13.99 C ATOM 883 C THR A 96 -35.028 -1.232 4.119 1.00 13.69 C ATOM 884 O THR A 96 -35.055 -0.099 3.592 1.00 14.49 O ATOM 885 CB THR A 96 -36.963 -1.930 5.581 1.00 15.35 C ATOM 886 OG1 THR A 96 -37.817 -0.914 5.021 1.00 17.72 O ATOM 887 CG2 THR A 96 -37.415 -2.380 6.988 1.00 18.92 C ATOM 888 HG1 THR A 96 -37.730 -0.082 5.551 1.00 0.00 H ATOM 889 H THR A 96 -35.614 0.657 5.858 1.00 0.00 H ATOM 890 N LEU A 97 -34.537 -2.310 3.513 1.00 13.13 N ATOM 891 CA LEU A 97 -34.395 -2.422 2.028 1.00 13.55 C ATOM 892 C LEU A 97 -35.597 -3.077 1.386 1.00 13.68 C ATOM 893 O LEU A 97 -36.122 -4.069 1.882 1.00 13.35 O ATOM 894 CB LEU A 97 -33.168 -3.287 1.665 1.00 14.24 C ATOM 895 CG LEU A 97 -31.876 -2.504 1.689 1.00 12.77 C ATOM 896 CD1 LEU A 97 -30.669 -3.426 1.690 1.00 13.39 C ATOM 897 CD2 LEU A 97 -31.713 -1.390 0.640 1.00 14.72 C ATOM 898 H LEU A 97 -34.237 -3.114 4.100 1.00 0.00 H ATOM 899 N ASN A 98 -36.006 -2.541 0.263 1.00 14.51 N ATOM 900 CA ASN A 98 -37.037 -3.216 -0.552 1.00 15.84 C ATOM 901 C ASN A 98 -36.385 -3.486 -1.866 1.00 17.05 C ATOM 902 O ASN A 98 -35.808 -2.585 -2.479 1.00 18.41 O ATOM 903 CB ASN A 98 -38.210 -2.241 -0.834 1.00 17.70 C ATOM 904 CG ASN A 98 -38.802 -1.635 0.392 1.00 24.91 C ATOM 905 OD1 ASN A 98 -39.005 -0.385 0.409 1.00 36.74 O ATOM 906 ND2 ASN A 98 -39.230 -2.407 1.289 1.00 23.34 N ATOM 907 HD22 ASN A 98 -39.038 -3.428 1.232 1.00 0.00 H ATOM 908 HD21 ASN A 98 -39.776 -2.024 2.087 1.00 0.00 H ATOM 909 H ASN A 98 -35.603 -1.637 -0.056 1.00 0.00 H ATOM 910 N PHE A 99 -36.513 -4.722 -2.360 1.00 20.18 N ATOM 911 CA PHE A 99 -35.919 -5.072 -3.690 1.00 22.59 C ATOM 912 C PHE A 99 -36.686 -6.229 -4.323 1.00 26.40 C ATOM 913 O PHE A 99 -36.261 -6.751 -5.372 1.00 29.26 O ATOM 914 CB PHE A 99 -34.426 -5.436 -3.531 1.00 22.84 C ATOM 915 CG PHE A 99 -34.150 -6.608 -2.620 1.00 21.11 C ATOM 916 CD1 PHE A 99 -34.146 -6.447 -1.210 1.00 20.31 C ATOM 917 CD2 PHE A 99 -33.857 -7.852 -3.123 1.00 20.99 C ATOM 918 CE1 PHE A 99 -33.887 -7.531 -0.377 1.00 25.69 C ATOM 919 CE2 PHE A 99 -33.608 -8.954 -2.250 1.00 23.26 C ATOM 920 CZ PHE A 99 -33.614 -8.790 -0.897 1.00 25.29 C ATOM 921 OXT PHE A 99 -37.742 -6.610 -3.764 1.00 26.90 O ATOM 922 H PHE A 99 -37.028 -5.445 -1.818 1.00 0.00 H TER 923 PHE A 99 ATOM 924 N PRO B 1 -38.468 -8.717 -2.068 1.00 27.65 N ATOM 925 CA PRO B 1 -38.594 -8.807 -0.589 1.00 25.67 C ATOM 926 C PRO B 1 -38.379 -7.459 0.140 1.00 22.26 C ATOM 927 O PRO B 1 -37.841 -6.553 -0.468 1.00 22.21 O ATOM 928 CB PRO B 1 -37.414 -9.752 -0.197 1.00 29.35 C ATOM 929 CG PRO B 1 -37.075 -10.511 -1.527 1.00 30.26 C ATOM 930 CD PRO B 1 -37.251 -9.406 -2.558 1.00 31.26 C ATOM 931 HN2 PRO B 1 -38.422 -7.715 -2.342 1.00 0.00 H ATOM 932 HN1 PRO B 1 -39.303 -9.156 -2.505 1.00 0.00 H ATOM 933 N GLN B 2 -38.805 -7.358 1.393 1.00 20.37 N ATOM 934 CA GLN B 2 -38.452 -6.243 2.264 1.00 17.60 C ATOM 935 C GLN B 2 -37.593 -6.881 3.348 1.00 16.82 C ATOM 936 O GLN B 2 -37.998 -7.907 3.909 1.00 17.92 O ATOM 937 CB GLN B 2 -39.681 -5.504 2.808 1.00 18.86 C ATOM 938 CG GLN B 2 -39.272 -4.374 3.789 1.00 20.62 C ATOM 939 CD GLN B 2 -40.400 -3.475 4.247 1.00 20.84 C ATOM 940 OE1 GLN B 2 -40.760 -2.470 3.557 1.00 28.37 O ATOM 941 NE2 GLN B 2 -40.970 -3.806 5.366 1.00 20.06 N ATOM 942 HE22 GLN B 2 -40.637 -4.639 5.893 1.00 0.00 H ATOM 943 HE21 GLN B 2 -41.759 -3.238 5.735 1.00 0.00 H ATOM 944 H GLN B 2 -39.418 -8.108 1.771 1.00 0.00 H ATOM 945 N ILE B 3 -36.453 -6.293 3.687 1.00 13.98 N ATOM 946 CA ILE B 3 -35.596 -6.828 4.732 1.00 14.23 C ATOM 947 C ILE B 3 -35.247 -5.735 5.698 1.00 12.64 C ATOM 948 O ILE B 3 -35.078 -4.565 5.341 1.00 14.77 O ATOM 949 CB ILE B 3 -34.334 -7.504 4.200 1.00 15.06 C ATOM 950 CG1 ILE B 3 -33.462 -6.546 3.381 1.00 14.91 C ATOM 951 CG2 ILE B 3 -34.650 -8.777 3.393 1.00 18.18 C ATOM 952 CD1 ILE B 3 -32.177 -7.181 2.921 1.00 17.68 C ATOM 953 H ILE B 3 -36.165 -5.425 3.191 1.00 0.00 H ATOM 954 N THR B 4 -35.083 -6.113 6.969 1.00 13.68 N ATOM 955 CA THR B 4 -34.427 -5.229 7.940 1.00 13.36 C ATOM 956 C THR B 4 -32.922 -5.434 7.887 1.00 13.18 C ATOM 957 O THR B 4 -32.394 -6.216 7.050 1.00 14.26 O ATOM 958 CB THR B 4 -34.977 -5.538 9.347 1.00 12.71 C ATOM 959 OG1 THR B 4 -34.777 -6.937 9.584 1.00 14.83 O ATOM 960 CG2 THR B 4 -36.469 -5.207 9.477 1.00 15.89 C ATOM 961 HG1 THR B 4 -33.810 -7.144 9.535 1.00 0.00 H ATOM 962 H THR B 4 -35.425 -7.046 7.275 1.00 0.00 H ATOM 963 N LEU B 5 -32.192 -4.769 8.781 1.00 12.20 N ATOM 964 CA LEU B 5 -30.719 -4.638 8.667 1.00 12.15 C ATOM 965 C LEU B 5 -30.001 -5.198 9.879 1.00 11.59 C ATOM 966 O LEU B 5 -28.872 -4.869 10.158 1.00 12.23 O ATOM 967 CB LEU B 5 -30.308 -3.216 8.306 1.00 12.43 C ATOM 968 CG LEU B 5 -30.764 -2.774 6.936 1.00 13.56 C ATOM 969 CD1 LEU B 5 -30.620 -1.263 6.831 1.00 15.02 C ATOM 970 CD2 LEU B 5 -29.996 -3.490 5.804 1.00 15.54 C ATOM 971 H LEU B 5 -32.673 -4.325 9.589 1.00 0.00 H ATOM 972 N TRP B 6 -30.696 -6.062 10.644 1.00 13.27 N ATOM 973 CA TRP B 6 -30.105 -6.683 11.807 1.00 13.28 C ATOM 974 C TRP B 6 -28.982 -7.620 11.449 1.00 15.25 C ATOM 975 O TRP B 6 -28.106 -7.867 12.260 1.00 19.22 O ATOM 976 CB TRP B 6 -31.182 -7.419 12.635 1.00 14.50 C ATOM 977 CG TRP B 6 -32.171 -6.418 13.185 1.00 14.13 C ATOM 978 CD1 TRP B 6 -33.376 -6.091 12.628 1.00 19.04 C ATOM 979 CD2 TRP B 6 -32.014 -5.567 14.305 1.00 13.80 C ATOM 980 NE1 TRP B 6 -34.002 -5.134 13.363 1.00 18.01 N ATOM 981 CE2 TRP B 6 -33.194 -4.791 14.408 1.00 15.78 C ATOM 982 CE3 TRP B 6 -31.010 -5.393 15.281 1.00 14.80 C ATOM 983 CZ2 TRP B 6 -33.402 -3.847 15.421 1.00 15.82 C ATOM 984 CZ3 TRP B 6 -31.224 -4.445 16.286 1.00 17.27 C ATOM 985 CH2 TRP B 6 -32.414 -3.689 16.339 1.00 15.92 C ATOM 986 HE1 TRP B 6 -34.939 -4.731 13.163 1.00 0.00 H ATOM 987 H TRP B 6 -31.680 -6.287 10.392 1.00 0.00 H ATOM 988 N LYS B 7 -29.034 -8.207 10.261 1.00 16.42 N ATOM 989 CA LYS B 7 -27.915 -8.997 9.760 1.00 19.14 C ATOM 990 C LYS B 7 -27.357 -8.330 8.473 1.00 16.08 C ATOM 991 O LYS B 7 -28.052 -7.530 7.825 1.00 15.81 O ATOM 992 CB LYS B 7 -28.166 -10.475 9.566 1.00 21.62 C ATOM 993 CG LYS B 7 -29.122 -10.771 8.566 1.00 23.26 C ATOM 994 CD LYS B 7 -29.353 -12.318 8.496 1.00 28.65 C ATOM 995 CE LYS B 7 -29.231 -12.956 7.110 1.00 36.44 C ATOM 996 NZ LYS B 7 -28.077 -12.538 6.223 1.00 39.33 N ATOM 997 HZ1 LYS B 7 -28.133 -11.515 6.042 1.00 0.00 H ATOM 998 HZ2 LYS B 7 -27.179 -12.758 6.698 1.00 0.00 H ATOM 999 HZ3 LYS B 7 -28.130 -13.054 5.322 1.00 0.00 H ATOM 1000 H LYS B 7 -29.888 -8.102 9.676 1.00 0.00 H ATOM 1001 N ARG B 8 -26.168 -8.737 8.040 1.00 16.61 N ATOM 1002 CA ARG B 8 -25.646 -8.264 6.742 1.00 15.05 C ATOM 1003 C ARG B 8 -26.633 -8.663 5.669 1.00 15.18 C ATOM 1004 O ARG B 8 -27.038 -9.825 5.627 1.00 16.21 O ATOM 1005 CB ARG B 8 -24.314 -8.910 6.449 1.00 16.74 C ATOM 1006 CG ARG B 8 -23.231 -8.485 7.459 1.00 18.88 C ATOM 1007 CD ARG B 8 -21.783 -8.816 7.008 1.00 22.27 C ATOM 1008 NE ARG B 8 -21.490 -10.259 7.193 1.00 32.04 N ATOM 1009 CZ ARG B 8 -20.360 -10.894 6.836 1.00 33.84 C ATOM 1010 NH1 ARG B 8 -19.323 -10.231 6.309 1.00 36.68 N ATOM 1011 NH2 ARG B 8 -20.262 -12.212 7.034 1.00 35.62 N ATOM 1012 HE ARG B 8 -22.230 -10.835 7.642 1.00 0.00 H ATOM 1013 HH12 ARG B 8 -18.459 -10.745 6.041 1.00 0.00 H ATOM 1014 HH11 ARG B 8 -19.381 -9.202 6.168 1.00 0.00 H ATOM 1015 HH22 ARG B 8 -19.393 -12.715 6.762 1.00 0.00 H ATOM 1016 HH21 ARG B 8 -21.054 -12.734 7.460 1.00 0.00 H ATOM 1017 H ARG B 8 -25.603 -9.391 8.618 1.00 0.00 H ATOM 1018 N PRO B 9 -26.991 -7.794 4.737 1.00 14.08 N ATOM 1019 CA PRO B 9 -28.017 -8.084 3.704 1.00 12.62 C ATOM 1020 C PRO B 9 -27.467 -8.849 2.486 1.00 14.34 C ATOM 1021 O PRO B 9 -27.350 -8.329 1.394 1.00 15.52 O ATOM 1022 CB PRO B 9 -28.564 -6.695 3.324 1.00 14.49 C ATOM 1023 CG PRO B 9 -27.338 -5.799 3.518 1.00 14.27 C ATOM 1024 CD PRO B 9 -26.708 -6.340 4.817 1.00 13.21 C ATOM 1025 N PHE B 10 -27.074 -10.086 2.729 1.00 15.02 N ATOM 1026 CA PHE B 10 -26.615 -10.966 1.624 1.00 14.50 C ATOM 1027 C PHE B 10 -27.763 -11.420 0.797 1.00 15.48 C ATOM 1028 O PHE B 10 -28.847 -11.799 1.338 1.00 17.65 O ATOM 1029 CB PHE B 10 -25.873 -12.137 2.178 1.00 16.75 C ATOM 1030 CG PHE B 10 -24.461 -11.792 2.553 1.00 18.31 C ATOM 1031 CD1 PHE B 10 -23.533 -11.573 1.533 1.00 19.23 C ATOM 1032 CD2 PHE B 10 -24.062 -11.683 3.906 1.00 21.50 C ATOM 1033 CE1 PHE B 10 -22.201 -11.289 1.788 1.00 19.43 C ATOM 1034 CE2 PHE B 10 -22.726 -11.351 4.194 1.00 24.54 C ATOM 1035 CZ PHE B 10 -21.809 -11.162 3.110 1.00 24.73 C ATOM 1036 H PHE B 10 -27.086 -10.448 3.704 1.00 0.00 H ATOM 1037 N VAL B 11 -27.508 -11.545 -0.509 1.00 14.43 N ATOM 1038 CA VAL B 11 -28.437 -12.192 -1.442 1.00 15.10 C ATOM 1039 C VAL B 11 -27.623 -13.191 -2.283 1.00 12.70 C ATOM 1040 O VAL B 11 -26.421 -13.070 -2.480 1.00 14.50 O ATOM 1041 CB VAL B 11 -29.139 -11.155 -2.373 1.00 17.93 C ATOM 1042 CG1 VAL B 11 -30.220 -10.361 -1.509 1.00 20.93 C ATOM 1043 CG2 VAL B 11 -28.163 -10.293 -3.184 1.00 17.35 C ATOM 1044 H VAL B 11 -26.613 -11.167 -0.880 1.00 0.00 H ATOM 1045 N THR B 12 -28.354 -14.191 -2.755 1.00 14.01 N ATOM 1046 CA THR B 12 -27.803 -15.176 -3.677 1.00 13.48 C ATOM 1047 C THR B 12 -28.035 -14.720 -5.097 1.00 14.30 C ATOM 1048 O THR B 12 -29.152 -14.321 -5.455 1.00 17.59 O ATOM 1049 CB THR B 12 -28.371 -16.563 -3.374 1.00 17.44 C ATOM 1050 OG1 THR B 12 -28.121 -16.899 -2.005 1.00 18.03 O ATOM 1051 CG2 THR B 12 -27.776 -17.567 -4.222 1.00 21.89 C ATOM 1052 HG1 THR B 12 -28.555 -16.231 -1.418 1.00 0.00 H ATOM 1053 H THR B 12 -29.348 -14.275 -2.459 1.00 0.00 H ATOM 1054 N VAL B 13 -26.974 -14.750 -5.898 1.00 12.86 N ATOM 1055 CA VAL B 13 -27.050 -14.325 -7.282 1.00 13.60 C ATOM 1056 C VAL B 13 -26.408 -15.343 -8.188 1.00 13.24 C ATOM 1057 O VAL B 13 -25.618 -16.193 -7.729 1.00 13.67 O ATOM 1058 CB VAL B 13 -26.481 -12.973 -7.508 1.00 15.24 C ATOM 1059 CG1 VAL B 13 -27.173 -11.946 -6.616 1.00 17.66 C ATOM 1060 CG2 VAL B 13 -25.060 -12.995 -7.248 1.00 17.02 C ATOM 1061 H VAL B 13 -26.065 -15.087 -5.521 1.00 0.00 H ATOM 1062 N LYS B 14 -26.709 -15.241 -9.458 1.00 13.17 N ATOM 1063 CA LYS B 14 -25.999 -16.005 -10.456 1.00 12.42 C ATOM 1064 C LYS B 14 -25.408 -14.983 -11.412 1.00 12.74 C ATOM 1065 O LYS B 14 -26.129 -14.165 -11.986 1.00 15.55 O ATOM 1066 CB LYS B 14 -26.921 -16.985 -11.167 1.00 16.52 C ATOM 1067 CG LYS B 14 -26.182 -17.878 -12.146 1.00 19.18 C ATOM 1068 CD LYS B 14 -27.078 -19.100 -12.557 1.00 26.44 C ATOM 1069 CE LYS B 14 -27.812 -18.909 -13.746 1.00 34.12 C ATOM 1070 NZ LYS B 14 -28.269 -20.308 -14.138 1.00 31.01 N ATOM 1071 HZ1 LYS B 14 -27.437 -20.914 -14.287 1.00 0.00 H ATOM 1072 HZ2 LYS B 14 -28.857 -20.705 -13.377 1.00 0.00 H ATOM 1073 HZ3 LYS B 14 -28.824 -20.257 -15.016 1.00 0.00 H ATOM 1074 H LYS B 14 -27.472 -14.599 -9.753 1.00 0.00 H ATOM 1075 N VAL B 15 -24.067 -14.941 -11.501 1.00 10.94 N ATOM 1076 CA VAL B 15 -23.359 -13.903 -12.259 1.00 12.25 C ATOM 1077 C VAL B 15 -22.501 -14.656 -13.264 1.00 12.45 C ATOM 1078 O VAL B 15 -21.626 -15.479 -12.913 1.00 12.56 O ATOM 1079 CB VAL B 15 -22.523 -12.937 -11.365 1.00 13.06 C ATOM 1080 CG1 VAL B 15 -21.673 -13.674 -10.366 1.00 14.87 C ATOM 1081 CG2 VAL B 15 -21.783 -11.922 -12.283 1.00 15.34 C ATOM 1082 H VAL B 15 -23.510 -15.672 -11.014 1.00 0.00 H ATOM 1083 N GLY B 16 -22.729 -14.359 -14.571 1.00 14.24 N ATOM 1084 CA GLY B 16 -21.989 -15.117 -15.609 1.00 15.00 C ATOM 1085 C GLY B 16 -22.044 -16.642 -15.409 1.00 14.44 C ATOM 1086 O GLY B 16 -21.055 -17.339 -15.607 1.00 15.19 O ATOM 1087 H GLY B 16 -23.407 -13.617 -14.837 1.00 0.00 H ATOM 1088 N GLY B 17 -23.180 -17.129 -14.970 1.00 16.23 N ATOM 1089 CA GLY B 17 -23.353 -18.593 -14.774 1.00 14.90 C ATOM 1090 C GLY B 17 -22.833 -19.148 -13.492 1.00 14.55 C ATOM 1091 O GLY B 17 -23.016 -20.357 -13.265 1.00 16.52 O ATOM 1092 H GLY B 17 -23.968 -16.485 -14.757 1.00 0.00 H ATOM 1093 N GLN B 18 -22.241 -18.335 -12.597 1.00 11.60 N ATOM 1094 CA GLN B 18 -21.667 -18.781 -11.360 1.00 11.93 C ATOM 1095 C GLN B 18 -22.459 -18.350 -10.181 1.00 11.89 C ATOM 1096 O GLN B 18 -22.934 -17.210 -10.158 1.00 12.60 O ATOM 1097 CB GLN B 18 -20.225 -18.207 -11.287 1.00 12.98 C ATOM 1098 CG GLN B 18 -19.344 -18.890 -12.332 1.00 15.00 C ATOM 1099 CD GLN B 18 -18.269 -17.934 -12.943 1.00 14.04 C ATOM 1100 OE1 GLN B 18 -18.524 -17.206 -13.972 1.00 20.89 O ATOM 1101 NE2 GLN B 18 -17.175 -17.881 -12.317 1.00 14.14 N ATOM 1102 HE22 GLN B 18 -17.019 -18.492 -11.490 1.00 0.00 H ATOM 1103 HE21 GLN B 18 -16.429 -17.226 -12.628 1.00 0.00 H ATOM 1104 H GLN B 18 -22.197 -17.319 -12.816 1.00 0.00 H ATOM 1105 N LEU B 19 -22.640 -19.194 -9.189 1.00 12.41 N ATOM 1106 CA LEU B 19 -23.471 -18.873 -8.042 1.00 12.16 C ATOM 1107 C LEU B 19 -22.617 -18.208 -7.034 1.00 11.98 C ATOM 1108 O LEU B 19 -21.529 -18.709 -6.672 1.00 14.81 O ATOM 1109 CB LEU B 19 -24.060 -20.144 -7.420 1.00 13.53 C ATOM 1110 CG LEU B 19 -24.807 -21.050 -8.411 1.00 16.76 C ATOM 1111 CD1 LEU B 19 -25.360 -22.251 -7.635 1.00 18.67 C ATOM 1112 CD2 LEU B 19 -25.870 -20.267 -9.115 1.00 22.16 C ATOM 1113 H LEU B 19 -22.173 -20.122 -9.227 1.00 0.00 H ATOM 1114 N LYS B 20 -23.071 -17.065 -6.525 1.00 12.35 N ATOM 1115 CA LYS B 20 -22.330 -16.323 -5.510 1.00 12.65 C ATOM 1116 C LYS B 20 -23.263 -15.700 -4.508 1.00 13.61 C ATOM 1117 O LYS B 20 -24.408 -15.493 -4.818 1.00 15.47 O ATOM 1118 CB LYS B 20 -21.515 -15.161 -6.192 1.00 15.60 C ATOM 1119 CG LYS B 20 -20.448 -15.590 -7.122 1.00 17.94 C ATOM 1120 CD LYS B 20 -19.309 -16.412 -6.293 1.00 22.37 C ATOM 1121 CE LYS B 20 -18.159 -16.912 -7.132 1.00 31.25 C ATOM 1122 NZ LYS B 20 -17.035 -17.554 -6.365 1.00 31.70 N ATOM 1123 HZ1 LYS B 20 -16.636 -16.865 -5.696 1.00 0.00 H ATOM 1124 HZ2 LYS B 20 -17.399 -18.376 -5.842 1.00 0.00 H ATOM 1125 HZ3 LYS B 20 -16.296 -17.863 -7.029 1.00 0.00 H ATOM 1126 H LYS B 20 -23.981 -16.689 -6.861 1.00 0.00 H ATOM 1127 N GLU B 21 -22.693 -15.371 -3.342 1.00 12.55 N ATOM 1128 CA GLU B 21 -23.376 -14.559 -2.327 1.00 12.66 C ATOM 1129 C GLU B 21 -22.825 -13.127 -2.394 1.00 12.28 C ATOM 1130 O GLU B 21 -21.605 -12.965 -2.627 1.00 13.59 O ATOM 1131 CB GLU B 21 -23.131 -15.170 -0.955 1.00 11.72 C ATOM 1132 CG GLU B 21 -23.858 -16.471 -0.865 1.00 17.10 C ATOM 1133 CD GLU B 21 -24.073 -16.920 0.518 1.00 19.89 C ATOM 1134 OE1 GLU B 21 -24.933 -16.335 1.137 1.00 21.49 O ATOM 1135 OE2 GLU B 21 -23.411 -17.864 0.974 1.00 22.86 O ATOM 1136 H GLU B 21 -21.727 -15.704 -3.147 1.00 0.00 H ATOM 1137 N ALA B 22 -23.686 -12.110 -2.276 1.00 12.02 N ATOM 1138 CA ALA B 22 -23.155 -10.742 -2.365 1.00 10.93 C ATOM 1139 C ALA B 22 -23.997 -9.859 -1.470 1.00 12.10 C ATOM 1140 O ALA B 22 -25.192 -10.111 -1.277 1.00 13.76 O ATOM 1141 CB ALA B 22 -23.144 -10.228 -3.779 1.00 12.44 C ATOM 1142 H ALA B 22 -24.701 -12.282 -2.126 1.00 0.00 H ATOM 1143 N LEU B 23 -23.331 -8.841 -0.934 1.00 11.89 N ATOM 1144 CA LEU B 23 -23.891 -7.912 0.017 1.00 11.44 C ATOM 1145 C LEU B 23 -24.706 -6.798 -0.732 1.00 10.74 C ATOM 1146 O LEU B 23 -24.009 -6.130 -1.566 1.00 9.61 O ATOM 1147 CB LEU B 23 -22.638 -7.319 0.737 1.00 12.33 C ATOM 1148 CG LEU B 23 -22.925 -6.316 1.867 1.00 11.48 C ATOM 1149 CD1 LEU B 23 -23.672 -7.071 2.942 1.00 13.90 C ATOM 1150 CD2 LEU B 23 -21.650 -5.776 2.373 1.00 12.51 C ATOM 1151 H LEU B 23 -22.340 -8.705 -1.219 1.00 0.00 H ATOM 1152 N LEU B 24 -26.086 -6.595 -0.504 1.00 13.51 N ATOM 1153 CA LEU B 24 -26.822 -5.440 -1.072 1.00 14.31 C ATOM 1154 C LEU B 24 -26.233 -4.232 -0.379 1.00 14.38 C ATOM 1155 O LEU B 24 -26.432 -4.029 0.816 1.00 17.58 O ATOM 1156 CB LEU B 24 -28.275 -5.546 -0.768 1.00 16.83 C ATOM 1157 CG LEU B 24 -28.943 -6.696 -1.468 1.00 17.03 C ATOM 1158 CD1 LEU B 24 -30.398 -6.719 -0.969 1.00 22.38 C ATOM 1159 CD2 LEU B 24 -28.914 -6.458 -2.991 1.00 20.63 C ATOM 1160 H LEU B 24 -26.604 -7.280 0.083 1.00 0.00 H ATOM 1161 N ASP B 25 -25.470 -3.405 -1.133 1.00 12.52 N ATOM 1162 CA ASP B 25 -24.666 -2.370 -0.524 1.00 12.71 C ATOM 1163 C ASP B 25 -24.982 -1.001 -1.097 1.00 11.21 C ATOM 1164 O ASP B 25 -24.454 -0.593 -2.145 1.00 11.40 O ATOM 1165 CB ASP B 25 -23.265 -2.736 -0.799 1.00 12.22 C ATOM 1166 CG ASP B 25 -22.354 -1.930 -0.060 1.00 14.20 C ATOM 1167 OD1 ASP B 25 -22.854 -0.911 0.546 1.00 16.70 O ATOM 1168 OD2 ASP B 25 -21.156 -2.191 -0.055 1.00 15.83 O ATOM 1169 H ASP B 25 -25.463 -3.517 -2.167 1.00 0.00 H ATOM 1170 N THR B 26 -25.827 -0.228 -0.382 1.00 10.46 N ATOM 1171 CA THR B 26 -26.235 1.072 -0.887 1.00 10.12 C ATOM 1172 C THR B 26 -25.096 2.069 -0.854 1.00 9.92 C ATOM 1173 O THR B 26 -25.161 3.095 -1.536 1.00 10.56 O ATOM 1174 CB THR B 26 -27.381 1.635 -0.036 1.00 10.36 C ATOM 1175 OG1 THR B 26 -26.995 1.682 1.340 1.00 10.09 O ATOM 1176 CG2 THR B 26 -28.649 0.733 -0.154 1.00 11.33 C ATOM 1177 HG1 THR B 26 -26.200 2.264 1.439 1.00 0.00 H ATOM 1178 H THR B 26 -26.187 -0.564 0.534 1.00 0.00 H ATOM 1179 N GLY B 27 -23.992 1.754 -0.141 1.00 10.46 N ATOM 1180 CA GLY B 27 -22.811 2.623 -0.177 1.00 11.32 C ATOM 1181 C GLY B 27 -21.854 2.319 -1.333 1.00 11.97 C ATOM 1182 O GLY B 27 -20.823 2.984 -1.447 1.00 12.74 O ATOM 1183 H GLY B 27 -23.980 0.890 0.437 1.00 0.00 H ATOM 1184 N ALA B 28 -22.169 1.300 -2.173 1.00 10.58 N ATOM 1185 CA ALA B 28 -21.321 0.936 -3.281 1.00 11.90 C ATOM 1186 C ALA B 28 -21.908 1.464 -4.564 1.00 11.15 C ATOM 1187 O ALA B 28 -23.060 1.150 -4.927 1.00 11.53 O ATOM 1188 CB ALA B 28 -21.182 -0.580 -3.363 1.00 14.43 C ATOM 1189 H ALA B 28 -23.047 0.767 -2.013 1.00 0.00 H ATOM 1190 N ASP B 29 -21.110 2.231 -5.319 1.00 10.59 N ATOM 1191 CA ASP B 29 -21.593 2.734 -6.594 1.00 11.34 C ATOM 1192 C ASP B 29 -21.736 1.574 -7.583 1.00 10.87 C ATOM 1193 O ASP B 29 -22.644 1.604 -8.435 1.00 12.20 O ATOM 1194 CB ASP B 29 -20.626 3.728 -7.190 1.00 13.57 C ATOM 1195 CG ASP B 29 -20.462 5.019 -6.345 1.00 15.93 C ATOM 1196 OD1 ASP B 29 -21.363 5.410 -5.583 1.00 15.29 O ATOM 1197 OD2 ASP B 29 -19.422 5.676 -6.592 1.00 23.15 O ATOM 1198 H ASP B 29 -20.150 2.465 -4.994 1.00 0.00 H ATOM 1199 N ASN B 30 -20.874 0.553 -7.551 1.00 11.09 N ATOM 1200 CA ASN B 30 -20.935 -0.485 -8.607 1.00 11.34 C ATOM 1201 C ASN B 30 -20.597 -1.832 -7.999 1.00 9.52 C ATOM 1202 O ASN B 30 -19.864 -2.014 -7.073 1.00 10.97 O ATOM 1203 CB ASN B 30 -19.922 -0.260 -9.766 1.00 12.25 C ATOM 1204 CG ASN B 30 -20.196 0.995 -10.473 1.00 11.95 C ATOM 1205 OD1 ASN B 30 -19.626 2.002 -10.089 1.00 16.23 O ATOM 1206 ND2 ASN B 30 -21.035 0.969 -11.491 1.00 17.71 N ATOM 1207 HD22 ASN B 30 -21.489 0.075 -11.768 1.00 0.00 H ATOM 1208 HD21 ASN B 30 -21.242 1.842 -12.016 1.00 0.00 H ATOM 1209 H ASN B 30 -20.167 0.488 -6.792 1.00 0.00 H ATOM 1210 N THR B 31 -21.170 -2.793 -8.594 1.00 13.93 N ATOM 1211 CA THR B 31 -21.093 -4.198 -8.248 1.00 12.17 C ATOM 1212 C THR B 31 -19.690 -4.768 -8.493 1.00 12.31 C ATOM 1213 O THR B 31 -19.083 -4.529 -9.548 1.00 12.52 O ATOM 1214 CB THR B 31 -22.148 -4.926 -9.098 1.00 13.82 C ATOM 1215 OG1 THR B 31 -23.434 -4.484 -8.626 1.00 15.50 O ATOM 1216 CG2 THR B 31 -22.080 -6.423 -8.984 1.00 13.18 C ATOM 1217 HG1 THR B 31 -24.147 -4.930 -9.148 1.00 0.00 H ATOM 1218 H THR B 31 -21.757 -2.548 -9.417 1.00 0.00 H ATOM 1219 N ILE B 32 -19.214 -5.548 -7.521 1.00 10.31 N ATOM 1220 CA ILE B 32 -17.871 -6.134 -7.561 1.00 10.38 C ATOM 1221 C ILE B 32 -17.989 -7.554 -7.096 1.00 10.87 C ATOM 1222 O ILE B 32 -18.652 -7.848 -6.072 1.00 10.58 O ATOM 1223 CB ILE B 32 -16.866 -5.462 -6.606 1.00 9.50 C ATOM 1224 CG1 ILE B 32 -16.848 -3.955 -6.841 1.00 9.92 C ATOM 1225 CG2 ILE B 32 -15.478 -6.051 -6.815 1.00 11.22 C ATOM 1226 CD1 ILE B 32 -15.916 -3.182 -5.964 1.00 13.19 C ATOM 1227 H ILE B 32 -19.821 -5.749 -6.701 1.00 0.00 H ATOM 1228 N PHE B 33 -17.337 -8.462 -7.851 1.00 11.66 N ATOM 1229 CA PHE B 33 -17.127 -9.860 -7.373 1.00 11.81 C ATOM 1230 C PHE B 33 -15.651 -10.207 -7.398 1.00 12.36 C ATOM 1231 O PHE B 33 -14.909 -9.735 -8.259 1.00 14.23 O ATOM 1232 CB PHE B 33 -17.854 -10.851 -8.311 1.00 12.79 C ATOM 1233 CG PHE B 33 -19.341 -10.775 -8.222 1.00 12.46 C ATOM 1234 CD1 PHE B 33 -20.044 -11.568 -7.307 1.00 13.63 C ATOM 1235 CD2 PHE B 33 -20.026 -9.949 -9.044 1.00 15.78 C ATOM 1236 CE1 PHE B 33 -21.412 -11.441 -7.195 1.00 15.48 C ATOM 1237 CE2 PHE B 33 -21.403 -9.806 -8.979 1.00 17.86 C ATOM 1238 CZ PHE B 33 -22.100 -10.557 -8.003 1.00 17.46 C ATOM 1239 H PHE B 33 -16.974 -8.182 -8.784 1.00 0.00 H ATOM 1240 N GLU B 34 -15.295 -11.136 -6.519 1.00 14.26 N ATOM 1241 CA GLU B 34 -13.999 -11.823 -6.541 1.00 14.80 C ATOM 1242 C GLU B 34 -14.245 -13.231 -7.079 1.00 16.19 C ATOM 1243 O GLU B 34 -15.326 -13.806 -6.955 1.00 17.73 O ATOM 1244 CB GLU B 34 -13.395 -11.813 -5.146 1.00 18.45 C ATOM 1245 CG GLU B 34 -12.099 -12.444 -5.055 1.00 27.28 C ATOM 1246 CD GLU B 34 -11.672 -12.529 -3.582 1.00 34.24 C ATOM 1247 OE1 GLU B 34 -10.682 -11.837 -3.250 1.00 44.35 O ATOM 1248 OE2 GLU B 34 -12.343 -13.246 -2.757 1.00 34.26 O ATOM 1249 H GLU B 34 -15.973 -11.391 -5.773 1.00 0.00 H ATOM 1250 N ASP B 35 -13.227 -13.771 -7.696 1.00 19.24 N ATOM 1251 CA ASP B 35 -13.163 -15.236 -8.006 1.00 21.28 C ATOM 1252 C ASP B 35 -14.289 -15.634 -8.919 1.00 21.07 C ATOM 1253 O ASP B 35 -15.039 -16.641 -8.652 1.00 22.69 O ATOM 1254 CB ASP B 35 -13.222 -16.097 -6.737 1.00 23.02 C ATOM 1255 CG ASP B 35 -12.072 -15.825 -5.788 1.00 26.74 C ATOM 1256 OD1 ASP B 35 -10.937 -15.394 -6.237 1.00 31.35 O ATOM 1257 OD2 ASP B 35 -12.351 -15.983 -4.557 1.00 36.76 O ATOM 1258 H ASP B 35 -12.433 -13.163 -7.982 1.00 0.00 H ATOM 1259 N ILE B 36 -14.474 -14.842 -9.993 1.00 17.80 N ATOM 1260 CA ILE B 36 -15.366 -15.269 -11.068 1.00 16.12 C ATOM 1261 C ILE B 36 -14.652 -15.150 -12.317 1.00 16.49 C ATOM 1262 O ILE B 36 -13.703 -14.333 -12.478 1.00 19.25 O ATOM 1263 CB ILE B 36 -16.704 -14.531 -11.147 1.00 15.30 C ATOM 1264 CG1 ILE B 36 -16.543 -13.050 -11.385 1.00 15.08 C ATOM 1265 CG2 ILE B 36 -17.619 -14.851 -9.927 1.00 18.85 C ATOM 1266 CD1 ILE B 36 -17.913 -12.367 -11.702 1.00 17.64 C ATOM 1267 H ILE B 36 -13.982 -13.928 -10.057 1.00 0.00 H ATOM 1268 N ASN B 37 -14.981 -16.000 -13.277 1.00 15.69 N ATOM 1269 CA ASN B 37 -14.342 -15.811 -14.581 1.00 18.60 C ATOM 1270 C ASN B 37 -15.407 -15.530 -15.582 1.00 18.13 C ATOM 1271 O ASN B 37 -16.488 -16.125 -15.606 1.00 17.97 O ATOM 1272 CB ASN B 37 -13.544 -17.004 -15.011 1.00 21.83 C ATOM 1273 CG ASN B 37 -14.194 -18.228 -14.547 1.00 20.55 C ATOM 1274 OD1 ASN B 37 -15.239 -18.547 -15.029 1.00 26.30 O ATOM 1275 ND2 ASN B 37 -13.606 -18.907 -13.547 1.00 30.61 N ATOM 1276 HD22 ASN B 37 -12.694 -18.584 -13.165 1.00 0.00 H ATOM 1277 HD21 ASN B 37 -14.063 -19.755 -13.156 1.00 0.00 H ATOM 1278 H ASN B 37 -15.663 -16.768 -13.112 1.00 0.00 H ATOM 1279 N LEU B 38 -15.099 -14.520 -16.341 1.00 18.29 N ATOM 1280 CA LEU B 38 -15.996 -13.962 -17.294 1.00 16.49 C ATOM 1281 C LEU B 38 -15.309 -13.891 -18.642 1.00 15.88 C ATOM 1282 O LEU B 38 -14.084 -13.702 -18.732 1.00 18.80 O ATOM 1283 CB LEU B 38 -16.372 -12.544 -16.868 1.00 15.74 C ATOM 1284 CG LEU B 38 -17.244 -12.481 -15.597 1.00 15.19 C ATOM 1285 CD1 LEU B 38 -17.484 -10.980 -15.280 1.00 17.22 C ATOM 1286 CD2 LEU B 38 -18.574 -13.179 -15.802 1.00 17.00 C ATOM 1287 H LEU B 38 -14.152 -14.100 -16.247 1.00 0.00 H ATOM 1288 N PRO B 39 -16.056 -14.078 -19.704 1.00 15.45 N ATOM 1289 CA PRO B 39 -15.440 -14.106 -21.042 1.00 15.75 C ATOM 1290 C PRO B 39 -15.287 -12.693 -21.637 1.00 16.25 C ATOM 1291 O PRO B 39 -15.977 -11.737 -21.224 1.00 18.39 O ATOM 1292 CB PRO B 39 -16.472 -14.887 -21.845 1.00 19.47 C ATOM 1293 CG PRO B 39 -17.798 -14.432 -21.257 1.00 17.46 C ATOM 1294 CD PRO B 39 -17.494 -14.332 -19.758 1.00 16.26 C ATOM 1295 N GLY B 40 -14.478 -12.601 -22.650 1.00 16.48 N ATOM 1296 CA GLY B 40 -14.394 -11.430 -23.470 1.00 19.52 C ATOM 1297 C GLY B 40 -13.483 -10.359 -22.913 1.00 18.94 C ATOM 1298 O GLY B 40 -12.674 -10.574 -22.024 1.00 19.86 O ATOM 1299 H GLY B 40 -13.866 -13.412 -22.874 1.00 0.00 H ATOM 1300 N ARG B 41 -13.493 -9.246 -23.635 1.00 22.51 N ATOM 1301 CA ARG B 41 -12.633 -8.129 -23.328 1.00 24.43 C ATOM 1302 C ARG B 41 -13.037 -7.452 -22.037 1.00 23.11 C ATOM 1303 O ARG B 41 -14.180 -7.447 -21.645 1.00 24.18 O ATOM 1304 CB ARG B 41 -12.752 -7.102 -24.471 1.00 26.11 C ATOM 1305 CG ARG B 41 -12.595 -7.678 -25.892 1.00 34.00 C ATOM 1306 CD ARG B 41 -12.703 -6.586 -26.925 1.00 41.15 C ATOM 1307 NE ARG B 41 -11.354 -6.245 -27.377 1.00 49.44 N ATOM 1308 CZ ARG B 41 -10.469 -7.141 -27.835 1.00 51.75 C ATOM 1309 NH1 ARG B 41 -10.788 -8.439 -27.895 1.00 52.50 N ATOM 1310 NH2 ARG B 41 -9.251 -6.748 -28.214 1.00 54.09 N ATOM 1311 HE ARG B 41 -11.064 -5.247 -27.341 1.00 0.00 H ATOM 1312 HH12 ARG B 41 -10.096 -9.129 -28.252 1.00 0.00 H ATOM 1313 HH11 ARG B 41 -11.728 -8.758 -27.585 1.00 0.00 H ATOM 1314 HH22 ARG B 41 -8.566 -7.446 -28.569 1.00 0.00 H ATOM 1315 HH21 ARG B 41 -8.987 -5.744 -28.154 1.00 0.00 H ATOM 1316 H ARG B 41 -14.140 -9.177 -24.446 1.00 0.00 H ATOM 1317 N TRP B 42 -12.048 -6.866 -21.402 1.00 23.84 N ATOM 1318 CA TRP B 42 -12.338 -6.031 -20.211 1.00 22.99 C ATOM 1319 C TRP B 42 -11.492 -4.784 -20.252 1.00 24.18 C ATOM 1320 O TRP B 42 -10.548 -4.655 -21.044 1.00 26.89 O ATOM 1321 CB TRP B 42 -12.030 -6.806 -18.950 1.00 25.20 C ATOM 1322 CG TRP B 42 -10.704 -7.448 -18.962 1.00 29.12 C ATOM 1323 CD1 TRP B 42 -10.365 -8.728 -19.484 1.00 30.22 C ATOM 1324 CD2 TRP B 42 -9.516 -6.893 -18.469 1.00 33.01 C ATOM 1325 NE1 TRP B 42 -9.028 -8.952 -19.274 1.00 35.34 N ATOM 1326 CE2 TRP B 42 -8.470 -7.844 -18.691 1.00 34.06 C ATOM 1327 CE3 TRP B 42 -9.222 -5.690 -17.833 1.00 33.37 C ATOM 1328 CZ2 TRP B 42 -7.138 -7.584 -18.336 1.00 39.85 C ATOM 1329 CZ3 TRP B 42 -7.868 -5.404 -17.535 1.00 36.99 C ATOM 1330 CH2 TRP B 42 -6.866 -6.367 -17.743 1.00 40.69 C ATOM 1331 HE1 TRP B 42 -8.518 -9.825 -19.519 1.00 0.00 H ATOM 1332 H TRP B 42 -11.069 -6.987 -21.732 1.00 0.00 H ATOM 1333 N LYS B 43 -11.778 -3.863 -19.355 1.00 23.54 N ATOM 1334 CA LYS B 43 -11.080 -2.564 -19.252 1.00 25.83 C ATOM 1335 C LYS B 43 -10.585 -2.431 -17.856 1.00 24.27 C ATOM 1336 O LYS B 43 -11.236 -2.792 -16.861 1.00 22.15 O ATOM 1337 CB LYS B 43 -12.090 -1.460 -19.508 1.00 28.49 C ATOM 1338 CG LYS B 43 -12.343 -1.284 -20.996 1.00 33.11 C ATOM 1339 CD LYS B 43 -13.160 -0.022 -21.245 1.00 40.23 C ATOM 1340 CE LYS B 43 -14.621 -0.111 -20.685 1.00 40.80 C ATOM 1341 NZ LYS B 43 -15.201 1.260 -20.248 1.00 42.09 N ATOM 1342 HZ1 LYS B 43 -14.604 1.665 -19.499 1.00 0.00 H ATOM 1343 HZ2 LYS B 43 -15.219 1.904 -21.065 1.00 0.00 H ATOM 1344 HZ3 LYS B 43 -16.168 1.127 -19.889 1.00 0.00 H ATOM 1345 H LYS B 43 -12.542 -4.062 -18.678 1.00 0.00 H ATOM 1346 N PRO B 44 -9.447 -1.766 -17.721 1.00 27.91 N ATOM 1347 CA PRO B 44 -8.859 -1.681 -16.396 1.00 26.27 C ATOM 1348 C PRO B 44 -9.615 -0.543 -15.626 1.00 27.04 C ATOM 1349 O PRO B 44 -10.018 0.486 -16.321 1.00 29.45 O ATOM 1350 CB PRO B 44 -7.418 -1.234 -16.706 1.00 29.36 C ATOM 1351 CG PRO B 44 -7.624 -0.343 -18.012 1.00 29.97 C ATOM 1352 CD PRO B 44 -8.646 -1.131 -18.792 1.00 29.68 C ATOM 1353 N LYS B 45 -9.651 -0.776 -14.256 1.00 25.16 N ATOM 1354 CA LYS B 45 -10.016 0.181 -13.095 1.00 23.78 C ATOM 1355 C LYS B 45 -9.564 -0.044 -11.605 1.00 22.80 C ATOM 1356 O LYS B 45 -9.094 -1.097 -11.221 1.00 23.98 O ATOM 1357 CB LYS B 45 -11.497 0.281 -13.037 1.00 24.89 C ATOM 1358 CG LYS B 45 -12.012 0.498 -14.388 1.00 24.83 C ATOM 1359 CD LYS B 45 -13.457 0.784 -14.283 1.00 27.09 C ATOM 1360 CE LYS B 45 -13.794 2.004 -15.107 1.00 34.45 C ATOM 1361 NZ LYS B 45 -15.095 2.537 -14.592 1.00 34.84 N ATOM 1362 HZ1 LYS B 45 -15.831 1.810 -14.695 1.00 0.00 H ATOM 1363 HZ2 LYS B 45 -14.992 2.789 -13.588 1.00 0.00 H ATOM 1364 HZ3 LYS B 45 -15.362 3.382 -15.137 1.00 0.00 H ATOM 1365 H LYS B 45 -9.393 -1.741 -13.967 1.00 0.00 H ATOM 1366 N MET B 46 -9.795 0.959 -10.706 1.00 20.28 N ATOM 1367 CA MET B 46 -9.639 0.854 -9.213 1.00 20.62 C ATOM 1368 C MET B 46 -10.834 1.460 -8.477 1.00 18.43 C ATOM 1369 O MET B 46 -11.359 2.509 -8.879 1.00 21.16 O ATOM 1370 CB MET B 46 -8.436 1.636 -8.733 1.00 20.41 C ATOM 1371 CG MET B 46 -7.938 2.511 -9.856 1.00 27.52 C ATOM 1372 SD MET B 46 -6.659 1.580 -10.723 1.00 33.63 S ATOM 1373 CE MET B 46 -5.251 2.149 -9.814 1.00 27.71 C ATOM 1374 H MET B 46 -10.106 1.875 -11.087 1.00 0.00 H ATOM 1375 N VAL B 47 -11.226 0.889 -7.355 1.00 15.46 N ATOM 1376 CA VAL B 47 -12.204 1.484 -6.488 1.00 16.44 C ATOM 1377 C VAL B 47 -11.672 1.790 -5.153 1.00 13.99 C ATOM 1378 O VAL B 47 -10.716 1.145 -4.708 1.00 17.17 O ATOM 1379 CB VAL B 47 -13.435 0.663 -6.375 1.00 15.33 C ATOM 1380 CG1 VAL B 47 -14.065 0.616 -7.726 1.00 18.77 C ATOM 1381 CG2 VAL B 47 -13.140 -0.648 -5.748 1.00 17.57 C ATOM 1382 H VAL B 47 -10.811 -0.027 -7.088 1.00 0.00 H ATOM 1383 N GLY B 48 -12.284 2.793 -4.532 1.00 15.29 N ATOM 1384 CA GLY B 48 -11.761 3.250 -3.298 1.00 15.92 C ATOM 1385 C GLY B 48 -12.715 3.078 -2.149 1.00 12.58 C ATOM 1386 O GLY B 48 -13.916 3.282 -2.339 1.00 16.44 O ATOM 1387 H GLY B 48 -13.131 3.234 -4.944 1.00 0.00 H ATOM 1388 N GLY B 49 -12.194 2.692 -0.956 1.00 12.60 N ATOM 1389 CA GLY B 49 -13.040 2.699 0.222 1.00 14.82 C ATOM 1390 C GLY B 49 -12.251 2.912 1.469 1.00 15.23 C ATOM 1391 O GLY B 49 -11.190 3.543 1.447 1.00 16.24 O ATOM 1392 H GLY B 49 -11.200 2.395 -0.888 1.00 0.00 H ATOM 1393 N ILE B 50 -12.798 2.465 2.588 1.00 16.65 N ATOM 1394 CA ILE B 50 -12.076 2.342 3.807 1.00 17.73 C ATOM 1395 C ILE B 50 -10.874 1.436 3.592 1.00 19.69 C ATOM 1396 O ILE B 50 -10.933 0.298 2.958 1.00 20.90 O ATOM 1397 CB ILE B 50 -13.012 1.968 4.990 1.00 17.07 C ATOM 1398 CG1 ILE B 50 -13.952 3.131 5.281 1.00 18.68 C ATOM 1399 CG2 ILE B 50 -12.268 1.690 6.227 1.00 19.67 C ATOM 1400 CD1 ILE B 50 -15.273 2.685 5.707 1.00 19.22 C ATOM 1401 H ILE B 50 -13.801 2.191 2.575 1.00 0.00 H ATOM 1402 N GLY B 51 -9.768 2.035 3.990 1.00 21.61 N ATOM 1403 CA GLY B 51 -8.469 1.517 3.414 1.00 24.34 C ATOM 1404 C GLY B 51 -7.778 1.875 2.037 1.00 23.62 C ATOM 1405 O GLY B 51 -6.580 1.606 1.920 1.00 25.02 O ATOM 1406 H GLY B 51 -9.788 2.825 4.667 1.00 0.00 H ATOM 1407 N GLY B 52 -8.451 2.458 1.034 1.00 22.31 N ATOM 1408 CA GLY B 52 -7.931 2.933 -0.249 1.00 23.13 C ATOM 1409 C GLY B 52 -8.418 2.357 -1.614 1.00 22.50 C ATOM 1410 O GLY B 52 -9.566 2.440 -1.926 1.00 25.62 O ATOM 1411 H GLY B 52 -9.471 2.589 1.187 1.00 0.00 H ATOM 1412 N PHE B 53 -7.561 1.791 -2.458 1.00 24.89 N ATOM 1413 CA PHE B 53 -8.046 1.298 -3.727 1.00 22.98 C ATOM 1414 C PHE B 53 -7.756 -0.206 -4.033 1.00 23.48 C ATOM 1415 O PHE B 53 -6.618 -0.718 -4.002 1.00 24.50 O ATOM 1416 CB PHE B 53 -7.614 2.231 -4.873 1.00 20.70 C ATOM 1417 CG PHE B 53 -8.301 3.583 -4.891 1.00 25.30 C ATOM 1418 CD1 PHE B 53 -9.070 3.946 -6.000 1.00 26.41 C ATOM 1419 CD2 PHE B 53 -8.115 4.528 -3.858 1.00 23.50 C ATOM 1420 CE1 PHE B 53 -9.675 5.103 -6.071 1.00 22.14 C ATOM 1421 CE2 PHE B 53 -8.743 5.754 -3.961 1.00 20.33 C ATOM 1422 CZ PHE B 53 -9.520 6.029 -5.059 1.00 26.36 C ATOM 1423 H PHE B 53 -6.555 1.704 -2.208 1.00 0.00 H ATOM 1424 N LEU B 54 -8.862 -0.922 -4.224 1.00 20.88 N ATOM 1425 CA LEU B 54 -8.876 -2.270 -4.792 1.00 20.18 C ATOM 1426 C LEU B 54 -8.684 -2.092 -6.284 1.00 18.90 C ATOM 1427 O LEU B 54 -9.392 -1.249 -6.895 1.00 19.96 O ATOM 1428 CB LEU B 54 -10.255 -2.887 -4.566 1.00 20.75 C ATOM 1429 CG LEU B 54 -10.441 -4.340 -5.112 1.00 20.62 C ATOM 1430 CD1 LEU B 54 -9.624 -5.325 -4.356 1.00 24.21 C ATOM 1431 CD2 LEU B 54 -11.945 -4.672 -5.027 1.00 20.56 C ATOM 1432 H LEU B 54 -9.772 -0.497 -3.953 1.00 0.00 H ATOM 1433 N LYS B 55 -7.833 -2.926 -6.874 1.00 19.02 N ATOM 1434 CA LYS B 55 -7.673 -3.014 -8.319 1.00 19.92 C ATOM 1435 C LYS B 55 -8.676 -3.976 -8.957 1.00 19.91 C ATOM 1436 O LYS B 55 -8.778 -5.127 -8.455 1.00 19.56 O ATOM 1437 CB LYS B 55 -6.257 -3.481 -8.653 1.00 20.61 C ATOM 1438 CG LYS B 55 -5.275 -2.397 -8.251 1.00 23.44 C ATOM 1439 CD LYS B 55 -3.998 -2.379 -9.025 1.00 27.75 C ATOM 1440 CE LYS B 55 -3.078 -1.313 -8.430 1.00 29.86 C ATOM 1441 NZ LYS B 55 -2.278 -0.678 -9.528 1.00 32.53 N ATOM 1442 HZ1 LYS B 55 -1.707 -1.405 -10.004 1.00 0.00 H ATOM 1443 HZ2 LYS B 55 -2.923 -0.238 -10.215 1.00 0.00 H ATOM 1444 HZ3 LYS B 55 -1.652 0.047 -9.124 1.00 0.00 H ATOM 1445 H LYS B 55 -7.253 -3.546 -6.274 1.00 0.00 H ATOM 1446 N VAL B 56 -9.328 -3.546 -10.071 1.00 23.26 N ATOM 1447 CA VAL B 56 -10.350 -4.410 -10.723 1.00 21.19 C ATOM 1448 C VAL B 56 -10.302 -4.453 -12.297 1.00 22.61 C ATOM 1449 O VAL B 56 -9.715 -3.614 -12.961 1.00 24.55 O ATOM 1450 CB VAL B 56 -11.703 -4.018 -10.223 1.00 22.33 C ATOM 1451 CG1 VAL B 56 -11.791 -4.045 -8.633 1.00 25.57 C ATOM 1452 CG2 VAL B 56 -12.054 -2.698 -10.846 1.00 19.84 C ATOM 1453 H VAL B 56 -9.112 -2.610 -10.469 1.00 0.00 H ATOM 1454 N ARG B 57 -10.959 -5.457 -12.903 1.00 21.47 N ATOM 1455 CA ARG B 57 -11.273 -5.499 -14.334 1.00 19.26 C ATOM 1456 C ARG B 57 -12.731 -5.187 -14.506 1.00 14.95 C ATOM 1457 O ARG B 57 -13.553 -5.737 -13.766 1.00 16.70 O ATOM 1458 CB ARG B 57 -11.063 -6.924 -14.833 1.00 19.60 C ATOM 1459 CG ARG B 57 -9.611 -7.399 -14.914 1.00 26.55 C ATOM 1460 CD ARG B 57 -9.643 -8.848 -15.393 1.00 31.54 C ATOM 1461 NE ARG B 57 -8.364 -9.543 -15.522 1.00 39.25 N ATOM 1462 CZ ARG B 57 -8.184 -10.724 -16.149 1.00 40.67 C ATOM 1463 NH1 ARG B 57 -9.216 -11.339 -16.736 1.00 41.71 N ATOM 1464 NH2 ARG B 57 -6.960 -11.277 -16.243 1.00 42.85 N ATOM 1465 HE ARG B 57 -7.528 -9.093 -15.098 1.00 0.00 H ATOM 1466 HH12 ARG B 57 -9.073 -12.249 -17.218 1.00 0.00 H ATOM 1467 HH11 ARG B 57 -10.162 -10.907 -16.710 1.00 0.00 H ATOM 1468 HH22 ARG B 57 -6.837 -12.188 -16.729 1.00 0.00 H ATOM 1469 HH21 ARG B 57 -6.138 -10.793 -15.829 1.00 0.00 H ATOM 1470 H ARG B 57 -11.266 -6.259 -12.316 1.00 0.00 H ATOM 1471 N GLU B 58 -13.074 -4.410 -15.511 1.00 14.23 N ATOM 1472 CA GLU B 58 -14.448 -4.166 -15.792 1.00 14.69 C ATOM 1473 C GLU B 58 -14.855 -4.950 -16.992 1.00 14.84 C ATOM 1474 O GLU B 58 -14.313 -4.755 -18.087 1.00 17.45 O ATOM 1475 CB GLU B 58 -14.677 -2.661 -15.979 1.00 17.77 C ATOM 1476 CG GLU B 58 -16.085 -2.318 -16.322 1.00 21.01 C ATOM 1477 CD GLU B 58 -16.053 -0.868 -16.948 1.00 31.03 C ATOM 1478 OE1 GLU B 58 -14.945 -0.285 -17.082 1.00 41.97 O ATOM 1479 OE2 GLU B 58 -16.990 -0.236 -17.331 1.00 28.28 O ATOM 1480 H GLU B 58 -12.339 -3.973 -16.102 1.00 0.00 H ATOM 1481 N TYR B 59 -16.024 -5.593 -16.805 1.00 14.09 N ATOM 1482 CA TYR B 59 -16.833 -6.216 -17.850 1.00 13.46 C ATOM 1483 C TYR B 59 -18.194 -5.565 -18.035 1.00 14.64 C ATOM 1484 O TYR B 59 -18.929 -5.300 -17.079 1.00 14.05 O ATOM 1485 CB TYR B 59 -17.073 -7.668 -17.499 1.00 13.15 C ATOM 1486 CG TYR B 59 -15.835 -8.499 -17.558 1.00 11.45 C ATOM 1487 CD1 TYR B 59 -14.949 -8.506 -16.495 1.00 12.78 C ATOM 1488 CD2 TYR B 59 -15.487 -9.176 -18.739 1.00 11.44 C ATOM 1489 CE1 TYR B 59 -13.829 -9.298 -16.514 1.00 12.56 C ATOM 1490 CE2 TYR B 59 -14.322 -9.947 -18.778 1.00 12.71 C ATOM 1491 CZ TYR B 59 -13.500 -9.996 -17.680 1.00 13.23 C ATOM 1492 OH TYR B 59 -12.343 -10.781 -17.753 1.00 14.74 O ATOM 1493 HH TYR B 59 -12.595 -11.723 -17.926 1.00 0.00 H ATOM 1494 H TYR B 59 -16.382 -5.651 -15.830 1.00 0.00 H ATOM 1495 N ASP B 60 -18.517 -5.276 -19.281 1.00 17.36 N ATOM 1496 CA ASP B 60 -19.827 -4.650 -19.599 1.00 19.93 C ATOM 1497 C ASP B 60 -20.954 -5.598 -19.985 1.00 21.47 C ATOM 1498 O ASP B 60 -22.139 -5.234 -19.868 1.00 22.80 O ATOM 1499 CB ASP B 60 -19.675 -3.575 -20.709 1.00 21.27 C ATOM 1500 CG ASP B 60 -18.830 -2.415 -20.271 1.00 22.99 C ATOM 1501 OD1 ASP B 60 -18.729 -2.216 -19.030 1.00 26.53 O ATOM 1502 OD2 ASP B 60 -18.295 -1.695 -21.175 1.00 27.53 O ATOM 1503 H ASP B 60 -17.848 -5.488 -20.049 1.00 0.00 H ATOM 1504 N GLN B 61 -20.680 -6.779 -20.508 1.00 23.07 N ATOM 1505 CA GLN B 61 -21.925 -7.629 -20.633 1.00 24.67 C ATOM 1506 C GLN B 61 -22.402 -8.237 -19.305 1.00 23.73 C ATOM 1507 O GLN B 61 -23.007 -7.643 -18.475 1.00 21.51 O ATOM 1508 CB GLN B 61 -21.841 -8.674 -21.816 1.00 26.70 C ATOM 1509 CG GLN B 61 -22.540 -10.095 -21.628 1.00 30.94 C ATOM 1510 CD GLN B 61 -23.958 -10.259 -22.255 1.00 34.07 C ATOM 1511 OE1 GLN B 61 -24.414 -9.441 -23.060 1.00 36.64 O ATOM 1512 NE2 GLN B 61 -24.637 -11.355 -21.897 1.00 33.52 N ATOM 1513 HE22 GLN B 61 -24.223 -12.024 -21.216 1.00 0.00 H ATOM 1514 HE21 GLN B 61 -25.578 -11.538 -22.300 1.00 0.00 H ATOM 1515 H GLN B 61 -19.729 -7.086 -20.797 1.00 0.00 H ATOM 1516 N VAL B 62 -22.167 -9.507 -19.153 1.00 20.31 N ATOM 1517 CA VAL B 62 -22.334 -10.146 -17.890 1.00 16.40 C ATOM 1518 C VAL B 62 -23.767 -10.106 -17.380 1.00 12.51 C ATOM 1519 O VAL B 62 -24.258 -9.080 -16.899 1.00 13.38 O ATOM 1520 CB VAL B 62 -21.375 -9.625 -16.802 1.00 15.40 C ATOM 1521 CG1 VAL B 62 -21.310 -10.683 -15.698 1.00 17.08 C ATOM 1522 CG2 VAL B 62 -19.964 -9.377 -17.339 1.00 16.51 C ATOM 1523 H VAL B 62 -21.851 -10.068 -19.970 1.00 0.00 H ATOM 1524 N PRO B 63 -24.401 -11.253 -17.446 1.00 12.81 N ATOM 1525 CA PRO B 63 -25.698 -11.488 -16.887 1.00 12.57 C ATOM 1526 C PRO B 63 -25.631 -11.647 -15.360 1.00 11.74 C ATOM 1527 O PRO B 63 -24.784 -12.359 -14.805 1.00 12.05 O ATOM 1528 CB PRO B 63 -26.125 -12.800 -17.570 1.00 12.06 C ATOM 1529 CG PRO B 63 -24.890 -13.503 -17.808 1.00 15.16 C ATOM 1530 CD PRO B 63 -23.866 -12.439 -18.174 1.00 12.88 C ATOM 1531 N ILE B 64 -26.593 -11.062 -14.686 1.00 11.89 N ATOM 1532 CA ILE B 64 -26.751 -11.082 -13.233 1.00 13.13 C ATOM 1533 C ILE B 64 -28.214 -11.412 -12.913 1.00 13.28 C ATOM 1534 O ILE B 64 -29.093 -10.598 -13.184 1.00 13.63 O ATOM 1535 CB ILE B 64 -26.441 -9.703 -12.638 1.00 13.52 C ATOM 1536 CG1 ILE B 64 -24.970 -9.333 -12.806 1.00 14.96 C ATOM 1537 CG2 ILE B 64 -26.685 -9.834 -11.168 1.00 16.23 C ATOM 1538 CD1 ILE B 64 -24.595 -8.434 -11.660 1.00 18.37 C ATOM 1539 H ILE B 64 -27.305 -10.538 -15.234 1.00 0.00 H ATOM 1540 N GLU B 65 -28.453 -12.595 -12.360 1.00 13.94 N ATOM 1541 CA GLU B 65 -29.793 -13.017 -11.890 1.00 15.37 C ATOM 1542 C GLU B 65 -29.827 -12.682 -10.416 1.00 14.51 C ATOM 1543 O GLU B 65 -29.016 -13.200 -9.611 1.00 16.15 O ATOM 1544 CB GLU B 65 -30.028 -14.491 -12.122 1.00 16.86 C ATOM 1545 CG GLU B 65 -29.878 -14.859 -13.559 1.00 20.77 C ATOM 1546 CD GLU B 65 -30.232 -16.274 -13.842 1.00 27.26 C ATOM 1547 OE1 GLU B 65 -30.579 -16.999 -12.832 1.00 27.43 O ATOM 1548 OE2 GLU B 65 -30.073 -16.664 -15.026 1.00 33.28 O ATOM 1549 H GLU B 65 -27.660 -13.259 -12.251 1.00 0.00 H ATOM 1550 N ILE B 66 -30.745 -11.782 -10.051 1.00 17.53 N ATOM 1551 CA ILE B 66 -30.876 -11.243 -8.679 1.00 19.07 C ATOM 1552 C ILE B 66 -32.363 -11.054 -8.378 1.00 19.62 C ATOM 1553 O ILE B 66 -33.074 -10.429 -9.158 1.00 19.55 O ATOM 1554 CB ILE B 66 -30.332 -9.774 -8.522 1.00 21.34 C ATOM 1555 CG1 ILE B 66 -29.913 -9.131 -9.869 1.00 22.49 C ATOM 1556 CG2 ILE B 66 -29.410 -9.634 -7.319 1.00 25.93 C ATOM 1557 CD1 ILE B 66 -30.861 -9.381 -11.040 1.00 25.86 C ATOM 1558 H ILE B 66 -31.408 -11.439 -10.775 1.00 0.00 H ATOM 1559 N CYS B 67 -32.808 -11.599 -7.256 1.00 18.61 N ATOM 1560 CA CYS B 67 -34.138 -11.284 -6.676 1.00 20.83 C ATOM 1561 C CYS B 67 -35.242 -11.509 -7.672 1.00 21.67 C ATOM 1562 O CYS B 67 -36.228 -10.720 -7.707 1.00 25.13 O ATOM 1563 CB CYS B 67 -34.175 -9.835 -6.131 1.00 22.88 C ATOM 1564 H CYS B 67 -32.198 -12.279 -6.758 1.00 0.00 H ATOM 1565 N GLY B 68 -35.071 -12.524 -8.510 1.00 22.12 N ATOM 1566 CA GLY B 68 -36.101 -12.899 -9.486 1.00 23.29 C ATOM 1567 C GLY B 68 -36.059 -12.090 -10.777 1.00 23.43 C ATOM 1568 O GLY B 68 -36.953 -12.226 -11.641 1.00 27.80 O ATOM 1569 H GLY B 68 -34.185 -13.067 -8.474 1.00 0.00 H ATOM 1570 N HIS B 69 -34.999 -11.283 -10.949 1.00 20.33 N ATOM 1571 CA HIS B 69 -34.845 -10.456 -12.115 1.00 22.30 C ATOM 1572 C HIS B 69 -33.588 -10.872 -12.818 1.00 19.84 C ATOM 1573 O HIS B 69 -32.695 -11.460 -12.202 1.00 21.86 O ATOM 1574 CB HIS B 69 -34.620 -8.970 -11.727 1.00 24.12 C ATOM 1575 CG HIS B 69 -35.804 -8.289 -11.136 1.00 27.02 C ATOM 1576 ND1 HIS B 69 -36.079 -8.309 -9.784 1.00 31.18 N ATOM 1577 CD2 HIS B 69 -36.730 -7.478 -11.701 1.00 33.44 C ATOM 1578 CE1 HIS B 69 -37.168 -7.605 -9.546 1.00 30.78 C ATOM 1579 NE2 HIS B 69 -37.581 -7.079 -10.686 1.00 34.63 N ATOM 1580 H HIS B 69 -34.264 -11.255 -10.213 1.00 0.00 H ATOM 1581 N LYS B 70 -33.452 -10.517 -14.073 1.00 23.25 N ATOM 1582 CA LYS B 70 -32.276 -10.761 -14.835 1.00 23.68 C ATOM 1583 C LYS B 70 -31.902 -9.450 -15.396 1.00 21.71 C ATOM 1584 O LYS B 70 -32.757 -8.785 -16.044 1.00 24.77 O ATOM 1585 CB LYS B 70 -32.528 -11.846 -15.895 1.00 27.14 C ATOM 1586 CG LYS B 70 -32.727 -13.242 -15.275 1.00 33.74 C ATOM 1587 CD LYS B 70 -34.135 -13.612 -14.914 1.00 42.51 C ATOM 1588 CE LYS B 70 -34.178 -15.041 -14.345 1.00 46.93 C ATOM 1589 NZ LYS B 70 -35.550 -15.324 -13.876 1.00 50.44 N ATOM 1590 HZ1 LYS B 70 -35.810 -14.641 -13.136 1.00 0.00 H ATOM 1591 HZ2 LYS B 70 -36.212 -15.241 -14.674 1.00 0.00 H ATOM 1592 HZ3 LYS B 70 -35.591 -16.288 -13.489 1.00 0.00 H ATOM 1593 H LYS B 70 -34.246 -10.031 -14.536 1.00 0.00 H ATOM 1594 N VAL B 71 -30.720 -8.998 -15.026 1.00 20.07 N ATOM 1595 CA VAL B 71 -30.211 -7.677 -15.369 1.00 20.67 C ATOM 1596 C VAL B 71 -29.141 -8.085 -16.319 1.00 18.02 C ATOM 1597 O VAL B 71 -28.672 -9.259 -16.294 1.00 14.49 O ATOM 1598 CB VAL B 71 -29.516 -6.952 -14.146 1.00 19.97 C ATOM 1599 CG1 VAL B 71 -28.824 -5.591 -14.510 1.00 21.48 C ATOM 1600 CG2 VAL B 71 -30.541 -6.721 -13.069 1.00 22.70 C ATOM 1601 H VAL B 71 -30.115 -9.622 -14.455 1.00 0.00 H ATOM 1602 N ILE B 72 -28.804 -7.110 -17.151 1.00 18.62 N ATOM 1603 CA ILE B 72 -27.496 -7.071 -17.767 1.00 18.77 C ATOM 1604 C ILE B 72 -26.822 -5.822 -17.207 1.00 18.80 C ATOM 1605 O ILE B 72 -27.369 -4.726 -17.285 1.00 21.47 O ATOM 1606 CB ILE B 72 -27.515 -7.028 -19.332 1.00 20.78 C ATOM 1607 CG1 ILE B 72 -28.365 -8.156 -19.963 1.00 22.05 C ATOM 1608 CG2 ILE B 72 -26.042 -7.011 -19.865 1.00 20.31 C ATOM 1609 CD1 ILE B 72 -27.897 -9.554 -19.676 1.00 22.36 C ATOM 1610 H ILE B 72 -29.492 -6.360 -17.365 1.00 0.00 H ATOM 1611 N GLY B 73 -25.650 -5.977 -16.588 1.00 17.45 N ATOM 1612 CA GLY B 73 -25.025 -4.841 -15.959 1.00 18.94 C ATOM 1613 C GLY B 73 -23.534 -4.879 -16.139 1.00 16.41 C ATOM 1614 O GLY B 73 -22.977 -5.841 -16.658 1.00 18.51 O ATOM 1615 H GLY B 73 -25.191 -6.910 -16.560 1.00 0.00 H ATOM 1616 N THR B 74 -22.880 -3.873 -15.593 1.00 15.70 N ATOM 1617 CA THR B 74 -21.431 -3.804 -15.503 1.00 16.24 C ATOM 1618 C THR B 74 -20.887 -4.512 -14.336 1.00 14.83 C ATOM 1619 O THR B 74 -21.440 -4.267 -13.168 1.00 15.09 O ATOM 1620 CB THR B 74 -20.791 -2.401 -15.489 1.00 16.32 C ATOM 1621 OG1 THR B 74 -21.035 -1.824 -16.699 1.00 18.72 O ATOM 1622 CG2 THR B 74 -19.220 -2.511 -15.540 1.00 20.80 C ATOM 1623 HG1 THR B 74 -22.013 -1.756 -16.840 1.00 0.00 H ATOM 1624 H THR B 74 -23.433 -3.083 -15.204 1.00 0.00 H ATOM 1625 N VAL B 75 -19.835 -5.367 -14.633 1.00 16.24 N ATOM 1626 CA VAL B 75 -19.437 -5.942 -13.397 1.00 15.58 C ATOM 1627 C VAL B 75 -17.975 -5.749 -13.287 1.00 13.07 C ATOM 1628 O VAL B 75 -17.184 -5.937 -14.247 1.00 14.10 O ATOM 1629 CB VAL B 75 -19.835 -7.449 -13.397 1.00 15.79 C ATOM 1630 CG1 VAL B 75 -19.169 -8.203 -12.221 1.00 22.70 C ATOM 1631 CG2 VAL B 75 -21.339 -7.663 -13.378 1.00 21.46 C ATOM 1632 H VAL B 75 -19.422 -5.549 -15.570 1.00 0.00 H ATOM 1633 N LEU B 76 -17.513 -5.361 -12.104 1.00 12.62 N ATOM 1634 CA LEU B 76 -16.116 -5.317 -11.779 1.00 12.33 C ATOM 1635 C LEU B 76 -15.695 -6.614 -11.112 1.00 12.52 C ATOM 1636 O LEU B 76 -16.445 -7.218 -10.372 1.00 13.83 O ATOM 1637 CB LEU B 76 -15.842 -4.177 -10.787 1.00 13.23 C ATOM 1638 CG LEU B 76 -16.352 -2.826 -11.289 1.00 13.49 C ATOM 1639 CD1 LEU B 76 -16.139 -1.816 -10.130 1.00 16.07 C ATOM 1640 CD2 LEU B 76 -15.615 -2.397 -12.536 1.00 15.96 C ATOM 1641 H LEU B 76 -18.198 -5.074 -11.376 1.00 0.00 H ATOM 1642 N VAL B 77 -14.498 -7.065 -11.465 1.00 13.41 N ATOM 1643 CA VAL B 77 -13.915 -8.285 -10.904 1.00 14.07 C ATOM 1644 C VAL B 77 -12.592 -7.938 -10.276 1.00 15.61 C ATOM 1645 O VAL B 77 -11.678 -7.392 -10.943 1.00 17.31 O ATOM 1646 CB VAL B 77 -13.716 -9.345 -12.002 1.00 14.86 C ATOM 1647 CG1 VAL B 77 -13.122 -10.609 -11.320 1.00 17.74 C ATOM 1648 CG2 VAL B 77 -15.060 -9.724 -12.591 1.00 15.66 C ATOM 1649 H VAL B 77 -13.951 -6.530 -12.169 1.00 0.00 H ATOM 1650 N GLY B 78 -12.439 -8.271 -8.999 1.00 15.59 N ATOM 1651 CA GLY B 78 -11.122 -8.033 -8.308 1.00 18.52 C ATOM 1652 C GLY B 78 -11.222 -8.508 -6.883 1.00 18.80 C ATOM 1653 O GLY B 78 -12.297 -8.960 -6.425 1.00 18.22 O ATOM 1654 H GLY B 78 -13.230 -8.697 -8.475 1.00 0.00 H ATOM 1655 N PRO B 79 -10.133 -8.429 -6.121 1.00 20.61 N ATOM 1656 CA PRO B 79 -10.049 -9.143 -4.820 1.00 22.51 C ATOM 1657 C PRO B 79 -10.726 -8.503 -3.607 1.00 22.14 C ATOM 1658 O PRO B 79 -10.118 -8.289 -2.578 1.00 24.57 O ATOM 1659 CB PRO B 79 -8.557 -9.334 -4.627 1.00 25.36 C ATOM 1660 CG PRO B 79 -7.904 -8.196 -5.420 1.00 23.51 C ATOM 1661 CD PRO B 79 -8.825 -7.923 -6.581 1.00 23.16 C ATOM 1662 N THR B 80 -11.989 -8.187 -3.735 1.00 19.68 N ATOM 1663 CA THR B 80 -12.801 -7.585 -2.709 1.00 18.29 C ATOM 1664 C THR B 80 -12.961 -8.618 -1.584 1.00 19.42 C ATOM 1665 O THR B 80 -13.135 -9.805 -1.859 1.00 20.00 O ATOM 1666 CB THR B 80 -14.162 -7.105 -3.287 1.00 15.31 C ATOM 1667 OG1 THR B 80 -14.913 -6.601 -2.172 1.00 18.17 O ATOM 1668 CG2 THR B 80 -14.906 -8.272 -3.950 1.00 16.57 C ATOM 1669 HG1 THR B 80 -15.042 -7.324 -1.508 1.00 0.00 H ATOM 1670 H THR B 80 -12.442 -8.386 -4.650 1.00 0.00 H ATOM 1671 N PRO B 81 -13.055 -8.150 -0.320 1.00 19.92 N ATOM 1672 CA PRO B 81 -13.207 -9.130 0.775 1.00 20.68 C ATOM 1673 C PRO B 81 -14.574 -9.785 0.795 1.00 18.26 C ATOM 1674 O PRO B 81 -14.743 -10.885 1.271 1.00 19.51 O ATOM 1675 CB PRO B 81 -13.108 -8.213 2.043 1.00 22.69 C ATOM 1676 CG PRO B 81 -12.415 -7.167 1.621 1.00 24.81 C ATOM 1677 CD PRO B 81 -12.737 -6.822 0.207 1.00 21.36 C ATOM 1678 N VAL B 82 -15.578 -9.090 0.251 1.00 15.97 N ATOM 1679 CA VAL B 82 -16.906 -9.661 0.127 1.00 14.32 C ATOM 1680 C VAL B 82 -17.500 -9.105 -1.151 1.00 12.98 C ATOM 1681 O VAL B 82 -17.335 -7.916 -1.502 1.00 12.81 O ATOM 1682 CB VAL B 82 -17.839 -9.218 1.324 1.00 16.97 C ATOM 1683 CG1 VAL B 82 -18.100 -7.818 1.151 1.00 18.95 C ATOM 1684 CG2 VAL B 82 -19.082 -9.943 1.339 1.00 18.27 C ATOM 1685 H VAL B 82 -15.404 -8.123 -0.089 1.00 0.00 H ATOM 1686 N ASN B 83 -18.222 -9.947 -1.836 1.00 11.84 N ATOM 1687 CA ASN B 83 -18.845 -9.521 -3.103 1.00 11.00 C ATOM 1688 C ASN B 83 -19.930 -8.491 -2.759 1.00 10.52 C ATOM 1689 O ASN B 83 -20.659 -8.645 -1.745 1.00 11.49 O ATOM 1690 CB ASN B 83 -19.467 -10.729 -3.788 1.00 11.48 C ATOM 1691 CG ASN B 83 -18.454 -11.766 -4.114 1.00 11.95 C ATOM 1692 OD1 ASN B 83 -17.317 -11.453 -4.499 1.00 14.99 O ATOM 1693 ND2 ASN B 83 -18.837 -13.028 -3.963 1.00 14.32 N ATOM 1694 HD22 ASN B 83 -19.801 -13.243 -3.638 1.00 0.00 H ATOM 1695 HD21 ASN B 83 -18.173 -13.801 -4.170 1.00 0.00 H ATOM 1696 H ASN B 83 -18.358 -10.918 -1.489 1.00 0.00 H ATOM 1697 N VAL B 84 -20.096 -7.435 -3.567 1.00 10.20 N ATOM 1698 CA VAL B 84 -21.179 -6.458 -3.271 1.00 9.75 C ATOM 1699 C VAL B 84 -21.939 -6.165 -4.519 1.00 10.03 C ATOM 1700 O VAL B 84 -21.359 -6.009 -5.624 1.00 11.39 O ATOM 1701 CB VAL B 84 -20.696 -5.102 -2.689 1.00 9.40 C ATOM 1702 CG1 VAL B 84 -20.083 -5.320 -1.300 1.00 12.49 C ATOM 1703 CG2 VAL B 84 -19.668 -4.489 -3.678 1.00 9.74 C ATOM 1704 H VAL B 84 -19.476 -7.300 -4.391 1.00 0.00 H ATOM 1705 N ILE B 85 -23.214 -5.992 -4.292 1.00 10.18 N ATOM 1706 CA ILE B 85 -24.160 -5.486 -5.273 1.00 10.01 C ATOM 1707 C ILE B 85 -24.320 -3.997 -5.047 1.00 9.86 C ATOM 1708 O ILE B 85 -24.776 -3.584 -3.989 1.00 11.27 O ATOM 1709 CB ILE B 85 -25.527 -6.198 -5.145 1.00 11.71 C ATOM 1710 CG1 ILE B 85 -25.451 -7.712 -5.175 1.00 12.89 C ATOM 1711 CG2 ILE B 85 -26.473 -5.666 -6.206 1.00 12.71 C ATOM 1712 CD1 ILE B 85 -24.684 -8.297 -6.426 1.00 14.33 C ATOM 1713 H ILE B 85 -23.576 -6.232 -3.347 1.00 0.00 H ATOM 1714 N GLY B 86 -23.910 -3.209 -6.040 1.00 10.15 N ATOM 1715 CA GLY B 86 -23.978 -1.785 -5.875 1.00 10.90 C ATOM 1716 C GLY B 86 -25.186 -1.149 -6.492 1.00 9.47 C ATOM 1717 O GLY B 86 -26.128 -1.825 -6.972 1.00 10.41 O ATOM 1718 H GLY B 86 -23.546 -3.620 -6.923 1.00 0.00 H ATOM 1719 N ARG B 87 -25.195 0.196 -6.489 1.00 10.11 N ATOM 1720 CA ARG B 87 -26.362 0.943 -6.937 1.00 9.66 C ATOM 1721 C ARG B 87 -26.602 0.764 -8.423 1.00 10.61 C ATOM 1722 O ARG B 87 -27.747 0.844 -8.873 1.00 11.67 O ATOM 1723 CB ARG B 87 -26.199 2.401 -6.608 1.00 10.85 C ATOM 1724 CG ARG B 87 -26.210 2.668 -5.087 1.00 11.69 C ATOM 1725 CD ARG B 87 -26.289 4.158 -4.755 1.00 11.43 C ATOM 1726 NE ARG B 87 -25.154 4.886 -5.289 1.00 12.80 N ATOM 1727 CZ ARG B 87 -25.085 5.583 -6.424 1.00 11.84 C ATOM 1728 NH1 ARG B 87 -26.157 5.811 -7.220 1.00 13.20 N ATOM 1729 NH2 ARG B 87 -23.898 6.055 -6.747 1.00 14.28 N ATOM 1730 HE ARG B 87 -24.286 4.862 -4.716 1.00 0.00 H ATOM 1731 HH12 ARG B 87 -26.047 6.362 -8.095 1.00 0.00 H ATOM 1732 HH11 ARG B 87 -27.090 5.435 -6.956 1.00 0.00 H ATOM 1733 HH22 ARG B 87 -23.778 6.607 -7.620 1.00 0.00 H ATOM 1734 HH21 ARG B 87 -23.081 5.876 -6.129 1.00 0.00 H ATOM 1735 H ARG B 87 -24.354 0.712 -6.161 1.00 0.00 H ATOM 1736 N ASP B 88 -25.554 0.507 -9.199 1.00 11.19 N ATOM 1737 CA ASP B 88 -25.728 0.223 -10.634 1.00 12.90 C ATOM 1738 C ASP B 88 -26.692 -0.928 -10.848 1.00 14.04 C ATOM 1739 O ASP B 88 -27.595 -0.858 -11.686 1.00 18.83 O ATOM 1740 CB ASP B 88 -24.422 0.005 -11.348 1.00 15.38 C ATOM 1741 CG ASP B 88 -23.542 -1.123 -10.756 1.00 16.37 C ATOM 1742 OD1 ASP B 88 -23.788 -1.624 -9.625 1.00 15.46 O ATOM 1743 OD2 ASP B 88 -22.524 -1.473 -11.458 1.00 24.02 O ATOM 1744 H ASP B 88 -24.599 0.506 -8.788 1.00 0.00 H ATOM 1745 N THR B 89 -26.576 -2.017 -10.103 1.00 12.28 N ATOM 1746 CA THR B 89 -27.435 -3.140 -10.229 1.00 11.65 C ATOM 1747 C THR B 89 -28.758 -2.906 -9.495 1.00 11.46 C ATOM 1748 O THR B 89 -29.831 -3.244 -10.009 1.00 12.59 O ATOM 1749 CB THR B 89 -26.761 -4.384 -9.668 1.00 12.74 C ATOM 1750 OG1 THR B 89 -25.523 -4.600 -10.313 1.00 13.02 O ATOM 1751 CG2 THR B 89 -27.660 -5.603 -9.831 1.00 15.25 C ATOM 1752 HG1 THR B 89 -25.675 -4.722 -11.284 1.00 0.00 H ATOM 1753 H THR B 89 -25.819 -2.051 -9.391 1.00 0.00 H ATOM 1754 N MET B 90 -28.728 -2.320 -8.287 1.00 10.77 N ATOM 1755 CA MET B 90 -29.915 -2.160 -7.488 1.00 11.08 C ATOM 1756 C MET B 90 -30.950 -1.244 -8.160 1.00 10.76 C ATOM 1757 O MET B 90 -32.162 -1.457 -8.059 1.00 12.43 O ATOM 1758 CB MET B 90 -29.589 -1.660 -6.093 1.00 12.41 C ATOM 1759 CG MET B 90 -28.966 -2.806 -5.226 1.00 15.13 C ATOM 1760 SD MET B 90 -28.878 -2.465 -3.489 1.00 15.65 S ATOM 1761 CE MET B 90 -27.545 -1.391 -3.521 1.00 13.80 C ATOM 1762 H MET B 90 -27.820 -1.971 -7.918 1.00 0.00 H ATOM 1763 N THR B 91 -30.488 -0.221 -8.848 1.00 10.76 N ATOM 1764 CA THR B 91 -31.407 0.648 -9.562 1.00 12.25 C ATOM 1765 C THR B 91 -32.102 -0.105 -10.646 1.00 13.14 C ATOM 1766 O THR B 91 -33.266 0.202 -10.947 1.00 15.76 O ATOM 1767 CB THR B 91 -30.736 1.908 -10.166 1.00 11.51 C ATOM 1768 OG1 THR B 91 -29.641 1.516 -10.990 1.00 14.11 O ATOM 1769 CG2 THR B 91 -30.342 2.904 -9.144 1.00 13.69 C ATOM 1770 HG1 THR B 91 -28.980 1.019 -10.445 1.00 0.00 H ATOM 1771 H THR B 91 -29.465 -0.035 -8.880 1.00 0.00 H ATOM 1772 N GLN B 92 -31.449 -1.068 -11.264 1.00 14.11 N ATOM 1773 CA GLN B 92 -32.132 -1.785 -12.351 1.00 15.64 C ATOM 1774 C GLN B 92 -33.272 -2.656 -11.861 1.00 16.00 C ATOM 1775 O GLN B 92 -34.137 -2.982 -12.678 1.00 17.06 O ATOM 1776 CB GLN B 92 -31.128 -2.533 -13.216 1.00 16.30 C ATOM 1777 CG GLN B 92 -30.228 -1.568 -14.065 1.00 18.30 C ATOM 1778 CD GLN B 92 -30.965 -0.785 -15.193 1.00 21.76 C ATOM 1779 OE1 GLN B 92 -31.709 -1.364 -15.990 1.00 26.99 O ATOM 1780 NE2 GLN B 92 -30.705 0.534 -15.279 1.00 26.32 N ATOM 1781 HE22 GLN B 92 -30.072 0.985 -14.588 1.00 0.00 H ATOM 1782 HE21 GLN B 92 -31.137 1.101 -16.036 1.00 0.00 H ATOM 1783 H GLN B 92 -30.476 -1.314 -10.990 1.00 0.00 H ATOM 1784 N ILE B 93 -33.262 -3.058 -10.568 1.00 15.60 N ATOM 1785 CA ILE B 93 -34.335 -3.824 -9.960 1.00 17.24 C ATOM 1786 C ILE B 93 -35.244 -2.969 -9.120 1.00 16.87 C ATOM 1787 O ILE B 93 -36.153 -3.519 -8.444 1.00 21.68 O ATOM 1788 CB ILE B 93 -33.816 -5.089 -9.235 1.00 18.28 C ATOM 1789 CG1 ILE B 93 -33.003 -4.720 -7.988 1.00 17.93 C ATOM 1790 CG2 ILE B 93 -32.995 -5.947 -10.223 1.00 20.51 C ATOM 1791 CD1 ILE B 93 -32.619 -5.912 -7.090 1.00 19.56 C ATOM 1792 H ILE B 93 -32.443 -2.805 -9.980 1.00 0.00 H ATOM 1793 N GLY B 94 -35.098 -1.655 -9.161 1.00 15.25 N ATOM 1794 CA GLY B 94 -36.038 -0.818 -8.476 1.00 16.90 C ATOM 1795 C GLY B 94 -35.920 -0.840 -6.979 1.00 15.40 C ATOM 1796 O GLY B 94 -36.885 -0.552 -6.246 1.00 18.90 O ATOM 1797 H GLY B 94 -34.306 -1.232 -9.687 1.00 0.00 H ATOM 1798 N CYS B 95 -34.733 -1.115 -6.455 1.00 15.35 N ATOM 1799 CA CYS B 95 -34.599 -1.158 -4.958 1.00 14.55 C ATOM 1800 C CYS B 95 -34.734 0.221 -4.314 1.00 15.02 C ATOM 1801 O CYS B 95 -34.369 1.246 -4.909 1.00 15.57 O ATOM 1802 CB CYS B 95 -33.222 -1.732 -4.597 1.00 15.55 C ATOM 1803 H CYS B 95 -33.912 -1.297 -7.067 1.00 0.00 H ATOM 1804 N THR B 96 -35.300 0.235 -3.097 1.00 14.24 N ATOM 1805 CA THR B 96 -35.459 1.456 -2.338 1.00 14.58 C ATOM 1806 C THR B 96 -35.029 1.216 -0.907 1.00 13.18 C ATOM 1807 O THR B 96 -35.071 0.090 -0.375 1.00 14.12 O ATOM 1808 CB THR B 96 -36.963 1.955 -2.331 1.00 15.27 C ATOM 1809 OG1 THR B 96 -37.824 0.958 -1.808 1.00 17.97 O ATOM 1810 CG2 THR B 96 -37.402 2.371 -3.714 1.00 18.84 C ATOM 1811 HG1 THR B 96 -37.761 0.143 -2.367 1.00 0.00 H ATOM 1812 H THR B 96 -35.635 -0.660 -2.687 1.00 0.00 H ATOM 1813 N LEU B 97 -34.537 2.300 -0.306 1.00 12.88 N ATOM 1814 CA LEU B 97 -34.377 2.420 1.175 1.00 12.91 C ATOM 1815 C LEU B 97 -35.596 3.075 1.825 1.00 13.13 C ATOM 1816 O LEU B 97 -36.102 4.094 1.316 1.00 13.79 O ATOM 1817 CB LEU B 97 -33.131 3.268 1.519 1.00 13.99 C ATOM 1818 CG LEU B 97 -31.801 2.498 1.515 1.00 12.09 C ATOM 1819 CD1 LEU B 97 -30.629 3.446 1.516 1.00 12.73 C ATOM 1820 CD2 LEU B 97 -31.644 1.500 2.670 1.00 13.75 C ATOM 1821 H LEU B 97 -34.249 3.104 -0.899 1.00 0.00 H ATOM 1822 N ASN B 98 -36.004 2.542 2.953 1.00 14.28 N ATOM 1823 CA ASN B 98 -37.008 3.190 3.800 1.00 15.17 C ATOM 1824 C ASN B 98 -36.343 3.508 5.091 1.00 16.63 C ATOM 1825 O ASN B 98 -35.778 2.613 5.732 1.00 17.87 O ATOM 1826 CB ASN B 98 -38.185 2.262 4.049 1.00 17.58 C ATOM 1827 CG ASN B 98 -38.727 1.695 2.781 1.00 25.69 C ATOM 1828 OD1 ASN B 98 -39.249 2.409 1.969 1.00 24.74 O ATOM 1829 ND2 ASN B 98 -38.622 0.362 2.627 1.00 34.67 N ATOM 1830 HD22 ASN B 98 -38.160 -0.212 3.361 1.00 0.00 H ATOM 1831 HD21 ASN B 98 -39.003 -0.094 1.774 1.00 0.00 H ATOM 1832 H ASN B 98 -35.602 1.632 3.255 1.00 0.00 H ATOM 1833 N PHE B 99 -36.510 4.750 5.570 1.00 20.27 N ATOM 1834 CA PHE B 99 -35.902 5.101 6.899 1.00 22.05 C ATOM 1835 C PHE B 99 -36.663 6.273 7.513 1.00 24.92 C ATOM 1836 O PHE B 99 -37.732 6.612 6.956 1.00 25.73 O ATOM 1837 CB PHE B 99 -34.401 5.455 6.761 1.00 21.39 C ATOM 1838 CG PHE B 99 -34.133 6.598 5.840 1.00 21.46 C ATOM 1839 CD1 PHE B 99 -34.157 6.413 4.431 1.00 21.73 C ATOM 1840 CD2 PHE B 99 -33.875 7.833 6.332 1.00 22.21 C ATOM 1841 CE1 PHE B 99 -33.917 7.471 3.569 1.00 27.00 C ATOM 1842 CE2 PHE B 99 -33.648 8.915 5.480 1.00 23.38 C ATOM 1843 CZ PHE B 99 -33.654 8.756 4.102 1.00 24.00 C ATOM 1844 OXT PHE B 99 -36.213 6.816 8.575 1.00 28.73 O ATOM 1845 H PHE B 99 -37.050 5.457 5.032 1.00 0.00 H TER 1846 PHE B 99 HETATM 1847 NA NA A 1 -25.427 3.986 16.201 1.00 38.09 NA HETATM 1848 O HOH 2 -21.268 8.563 -7.585 1.00 31.92 O HETATM 1849 O HOH 3 -14.903 19.737 19.942 1.00 15.03 O HETATM 1850 O HOH 4 -12.244 15.367 5.499 1.00 11.22 O HETATM 1851 O HOH 5 -10.375 -5.568 4.237 1.00 97.91 O HETATM 1852 O HOH 6 -10.487 -3.796 15.530 1.00 36.32 O HETATM 1853 O HOH 7 -30.387 5.141 21.305 1.00 33.84 O HETATM 1854 O HOH 8 -16.599 19.200 13.361 1.00 29.23 O HETATM 1855 O HOH 9 -9.263 6.844 3.739 1.00 41.23 O HETATM 1856 O HOH 10 -9.410 8.724 14.672 1.00 38.40 O HETATM 1857 O HOH 11 -12.022 12.441 23.379 1.00 24.42 O HETATM 1858 O HOH 12 -30.619 17.138 4.232 1.00 26.33 O HETATM 1859 O HOH 13 -19.121 16.655 20.583 1.00 19.51 O HETATM 1860 O HOH 14 -22.979 12.537 -4.516 1.00 41.76 O HETATM 1861 O HOH 15 -33.357 -2.566 10.251 1.00 13.94 O HETATM 1862 O HOH 16 -30.631 17.168 13.347 1.00 27.21 O HETATM 1863 O HOH 17 -41.438 1.931 -4.083 1.00 36.06 O HETATM 1864 O HOH 18 -8.395 -2.787 19.394 1.00 38.57 O HETATM 1865 O HOH 19 -38.082 -1.751 10.445 1.00 37.19 O HETATM 1866 O HOH 20 -17.034 -1.914 16.130 1.00 48.57 O HETATM 1867 O HOH 21 -32.377 8.506 -6.231 1.00 17.67 O HETATM 1868 O HOH 22 -14.634 21.200 19.281 1.00 21.98 O HETATM 1869 O HOH 23 -31.173 10.342 0.959 1.00 36.51 O HETATM 1870 O HOH 24 -37.311 10.647 -1.445 1.00 48.70 O HETATM 1871 O HOH 25 -10.673 17.087 5.740 1.00 29.24 O HETATM 1872 O HOH 26 -21.113 21.735 12.628 1.00 23.57 O HETATM 1873 O HOH 27 -15.367 11.753 5.204 1.00 26.67 O HETATM 1874 O HOH 28 -23.752 15.556 -0.698 1.00 93.90 O HETATM 1875 O HOH 29 -31.149 14.298 4.887 1.00 23.25 O HETATM 1876 O HOH 30 -39.588 10.936 14.824 1.00 49.03 O HETATM 1877 O HOH 31 -35.365 9.171 -3.943 1.00 17.84 O HETATM 1878 O HOH 32 -30.623 15.441 11.344 1.00 30.56 O HETATM 1879 O HOH 33 -12.338 -6.390 5.232 1.00 38.52 O HETATM 1880 O HOH 34 -28.104 14.476 -1.258 1.00 43.84 O HETATM 1881 O HOH 35 -10.455 11.711 11.170 1.00 23.67 O HETATM 1882 O HOH 36 -8.769 -4.434 17.253 1.00 28.84 O HETATM 1883 O HOH 37 -25.025 5.789 29.711 1.00 44.84 O HETATM 1884 O HOH 38 -36.271 12.566 7.442 1.00 36.38 O HETATM 1885 O HOH 39 -20.701 15.436 22.357 1.00 27.12 O HETATM 1886 O HOH 40 -30.986 10.135 -1.845 1.00 22.88 O HETATM 1887 O HOH 41 -43.100 5.302 1.280 1.00 45.26 O HETATM 1888 O HOH 42 -33.124 11.783 1.525 1.00 49.32 O HETATM 1889 O HOH 43 -33.497 12.791 6.191 1.00 29.61 O HETATM 1890 O HOH 44 -18.387 21.084 12.241 1.00 31.69 O HETATM 1891 O HOH 45 -23.630 -4.979 6.131 1.00 16.76 O HETATM 1892 O HOH 46 -19.850 16.380 5.978 1.00 20.88 O HETATM 1893 O HOH 47 -25.640 15.522 18.003 1.00 21.04 O HETATM 1894 O HOH 48 -20.127 2.933 14.911 1.00 23.92 O HETATM 1895 O HOH 49 -20.949 -5.571 6.007 1.00 18.32 O HETATM 1896 O HOH 50 -30.346 7.768 -3.007 1.00 19.11 O HETATM 1897 O HOH 51 -16.510 14.810 7.990 1.00 24.72 O HETATM 1898 O HOH 52 -31.213 12.690 8.419 1.00 25.78 O HETATM 1899 O HOH 53 -14.550 -0.052 1.069 1.00 10.46 O HETATM 1900 O HOH 54 -19.426 12.398 3.846 1.00 23.02 O HETATM 1901 O HOH 55 -18.207 11.046 23.019 1.00 20.53 O HETATM 1902 O HOH 56 -28.990 -1.834 16.807 1.00 33.44 O HETATM 1903 O HOH 57 -23.724 -3.771 12.978 1.00 26.62 O HETATM 1904 O HOH 58 -18.445 0.255 15.971 1.00 35.85 O HETATM 1905 O HOH 59 -14.339 -4.333 9.436 1.00 33.54 O HETATM 1906 O HOH 60 -26.122 -3.517 14.081 1.00 23.36 O HETATM 1907 O HOH 61 -23.581 2.240 17.121 1.00 97.71 O HETATM 1908 O HOH 62 -25.494 -6.278 13.217 1.00 48.62 O HETATM 1909 O HOH 63 -9.278 7.199 25.972 1.00 38.43 O HETATM 1910 O HOH 64 -32.925 10.149 -3.830 1.00 31.01 O HETATM 1911 O HOH 65 -38.620 0.891 7.370 1.00 24.71 O HETATM 1912 O HOH 66 -26.826 -0.523 17.491 1.00 35.21 O HETATM 1913 O HOH 67 -39.901 0.162 6.235 1.00 22.89 O HETATM 1914 O HOH 68 -19.923 19.820 7.975 1.00 36.51 O HETATM 1915 O HOH 69 -33.170 14.724 12.147 1.00 33.96 O HETATM 1916 O HOH 70 -26.512 12.291 -3.424 1.00 45.47 O HETATM 1917 O HOH 71 -19.059 3.338 -3.585 1.00 16.62 O HETATM 1918 O HOH 72 -20.598 12.508 22.803 1.00 28.72 O HETATM 1919 O HOH 73 -16.366 8.963 24.920 1.00 36.80 O HETATM 1920 O HOH 74 -33.398 14.156 14.551 1.00 36.92 O HETATM 1921 O HOH 75 -15.463 3.576 23.604 1.00 38.21 O HETATM 1922 O HOH 76 -10.708 4.053 27.061 1.00 50.36 O HETATM 1923 O HOH 77 -28.973 12.139 -1.019 1.00 36.01 O HETATM 1924 O HOH 78 -12.519 13.364 18.983 1.00 41.59 O HETATM 1925 O HOH 79 -11.334 13.542 13.857 1.00 55.81 O HETATM 1926 O HOH 80 -19.064 -3.289 6.752 1.00 16.97 O HETATM 1927 O HOH 81 -14.578 0.007 2.166 1.00 11.02 O HETATM 1928 O HOH 82 -14.592 3.617 25.889 1.00 29.12 O HETATM 1929 O HOH 83 -22.372 -3.037 16.085 1.00 42.84 O HETATM 1930 O HOH 84 -15.215 -1.815 13.877 1.00 36.55 O HETATM 1931 O HOH 85 -27.578 16.115 19.745 1.00 33.69 O HETATM 1932 O HOH 86 -22.771 5.864 23.393 1.00 31.35 O HETATM 1933 O HOH 87 -26.978 -4.489 13.979 1.00 27.63 O HETATM 1934 O HOH 88 -19.162 7.772 -2.363 1.00 38.00 O HETATM 1935 O HOH 89 -24.657 1.526 17.983 1.00 29.48 O HETATM 1936 O HOH 90 -15.294 8.870 29.176 1.00 37.67 O HETATM 1937 O HOH 91 -28.060 -15.039 0.517 1.00 26.56 O HETATM 1938 O HOH 92 -12.239 -15.360 -2.270 1.00 15.31 O HETATM 1939 O HOH 93 -19.108 -7.883 5.540 1.00 35.62 O HETATM 1940 O HOH 94 -10.545 -15.215 -3.014 1.00 17.66 O HETATM 1941 O HOH 95 -10.337 3.982 -11.657 1.00140.90 O HETATM 1942 O HOH 96 -16.618 -19.209 -10.152 1.00 28.71 O HETATM 1943 O HOH 97 -17.029 2.062 -12.908 1.00 47.44 O HETATM 1944 O HOH 98 -30.384 -5.170 -18.086 1.00 37.04 O HETATM 1945 O HOH 99 -9.805 5.502 -0.850 1.00 54.04 O HETATM 1946 O HOH 100 -29.028 -15.256 2.149 1.00 51.90 O HETATM 1947 O HOH 101 -33.371 2.572 -7.032 1.00 14.03 O HETATM 1948 O HOH 102 -19.089 -16.661 -17.327 1.00 19.60 O HETATM 1949 O HOH 103 -22.642 -22.580 -11.722 1.00 39.52 O HETATM 1950 O HOH 104 -12.015 -12.465 -20.137 1.00 24.98 O HETATM 1951 O HOH 105 -10.493 -16.943 -2.764 1.00 24.68 O HETATM 1952 O HOH 106 -31.157 -13.370 0.979 1.00 37.73 O HETATM 1953 O HOH 107 -39.272 -10.623 -11.759 1.00 55.41 O HETATM 1954 O HOH 108 -19.740 4.698 -10.968 1.00 44.26 O HETATM 1955 O HOH 109 -32.391 -8.506 9.420 1.00 18.12 O HETATM 1956 O HOH 110 -27.680 -6.568 14.780 1.00 43.73 O HETATM 1957 O HOH 111 -23.314 -12.389 7.864 1.00 24.52 O HETATM 1958 O HOH 112 -14.630 -21.159 -16.090 1.00 17.89 O HETATM 1959 O HOH 113 -15.349 -11.728 -2.037 1.00 25.79 O HETATM 1960 O HOH 114 -31.180 -14.289 -1.714 1.00 23.57 O HETATM 1961 O HOH 115 -24.827 -21.397 -15.447 1.00137.07 O HETATM 1962 O HOH 116 -35.328 -9.158 7.179 1.00 17.75 O HETATM 1963 O HOH 117 -35.741 -3.003 12.012 1.00 13.23 O HETATM 1964 O HOH 118 -30.595 -15.412 -8.155 1.00 29.47 O HETATM 1965 O HOH 119 -41.429 -8.854 2.081 1.00 52.18 O HETATM 1966 O HOH 120 -23.535 -15.752 3.865 1.00 47.29 O HETATM 1967 O HOH 121 -23.527 -19.765 3.484 1.00 41.04 O HETATM 1968 O HOH 122 -37.148 -10.639 5.384 1.00 40.30 O HETATM 1969 O HOH 123 -12.065 6.299 -2.058 1.00 35.01 O HETATM 1970 O HOH 124 -7.741 -14.879 -5.845 1.00 18.54 O HETATM 1971 O HOH 125 -10.437 -11.682 -7.814 1.00 22.61 O HETATM 1972 O HOH 126 -32.844 -10.086 7.166 1.00 35.39 O HETATM 1973 O HOH 127 -31.006 -10.147 5.093 1.00 24.18 O HETATM 1974 O HOH 128 -20.673 -15.455 -19.160 1.00 26.95 O HETATM 1975 O HOH 129 -11.144 -15.304 -21.475 1.00 34.87 O HETATM 1976 O HOH 130 -33.536 -12.876 -3.012 1.00 28.79 O HETATM 1977 O HOH 131 -33.507 -11.667 1.467 1.00 60.77 O HETATM 1978 O HOH 132 -34.717 -12.091 9.981 1.00 31.14 O HETATM 1979 O HOH 133 -27.598 -15.260 -19.727 1.00 46.72 O HETATM 1980 O HOH 134 -20.131 -2.928 -11.726 1.00 22.81 O HETATM 1981 O HOH 135 -23.670 5.005 -2.888 1.00 16.83 O HETATM 1982 O HOH 136 -19.863 -16.353 -2.748 1.00 20.62 O HETATM 1983 O HOH 137 -20.956 5.537 -2.798 1.00 17.55 O HETATM 1984 O HOH 138 -30.339 -7.804 6.207 1.00 19.33 O HETATM 1985 O HOH 139 -16.539 -14.858 -4.761 1.00 26.06 O HETATM 1986 O HOH 140 -21.119 -21.733 -9.430 1.00 23.49 O HETATM 1987 O HOH 141 -25.653 -15.504 -14.772 1.00 22.39 O HETATM 1988 O HOH 142 -19.402 -12.370 -0.630 1.00 24.11 O HETATM 1989 O HOH 143 -31.235 -12.657 -5.182 1.00 23.15 O HETATM 1990 O HOH 144 -24.843 -3.606 -12.823 1.00 33.57 O HETATM 1991 O HOH 145 -18.211 -11.086 -19.757 1.00 19.69 O HETATM 1992 O HOH 146 -16.439 -8.972 -21.770 1.00 36.74 O HETATM 1993 O HOH 147 -23.727 3.776 -9.756 1.00 25.89 O HETATM 1994 O HOH 148 -9.325 -8.745 -11.442 1.00 37.33 O HETATM 1995 O HOH 149 -20.556 -12.519 -19.595 1.00 30.86 O HETATM 1996 O HOH 150 -38.633 -1.081 -4.217 1.00 29.14 O HETATM 1997 O HOH 151 -18.323 -0.141 -12.831 1.00 36.09 O HETATM 1998 O HOH 152 -14.408 4.374 -6.123 1.00 23.61 O HETATM 1999 O HOH 153 -29.919 -11.877 -16.935 1.00 44.11 O HETATM 2000 O HOH 154 -37.584 8.972 9.337 1.00 39.87 O HETATM 2001 O HOH 155 -33.217 -14.608 -8.954 1.00 35.01 O HETATM 2002 O HOH 156 -26.804 0.534 -14.299 1.00 33.80 O HETATM 2003 O HOH 157 -18.275 -21.102 -9.031 1.00 29.10 O HETATM 2004 O HOH 158 -19.950 -19.657 -4.716 1.00 41.76 O HETATM 2005 O HOH 159 -28.993 1.791 -13.591 1.00 35.93 O HETATM 2006 O HOH 160 -12.445 -13.297 -15.780 1.00 48.68 O HETATM 2007 O HOH 161 -9.306 -7.232 -22.798 1.00 44.83 O HETATM 2008 O HOH 162 -29.065 -12.163 4.249 1.00 34.06 O HETATM 2009 O HOH 163 -31.155 -10.389 2.338 1.00 39.03 O HETATM 2010 O HOH 164 -11.356 -13.723 -11.022 1.00 48.16 O HETATM 2011 O HOH 165 -10.414 -12.103 -13.253 1.00 45.36 O HETATM 2012 O HOH 166 -39.922 -0.167 -2.995 1.00 19.63 O HETATM 2013 O HOH 167 -22.118 5.911 -10.131 1.00 40.09 O HETATM 2014 O HOH 168 -23.830 -1.639 -17.630 1.00 39.14 O HETATM 2015 O HOH 169 -18.707 -8.656 -20.765 1.00 28.07 O HETATM 2016 O HOH 170 -5.070 -15.150 -5.974 1.00 47.95 O HETATM 2017 O HOH 171 -16.220 4.306 -2.897 1.00 28.52 O HETATM 2018 O HOH 172 -17.249 2.007 -8.605 1.00 15.03 O HETATM 2019 O HOH 173 -14.849 -3.491 -22.646 1.00 42.95 O HETATM 2020 O HOH 174 -26.050 -12.186 6.812 1.00 37.91 O HETATM 2021 O HOH 175 -25.829 -4.850 -12.969 1.00 19.63 O HETATM 2022 O HOH 176 -3.362 -0.602 -4.501 1.00 38.57 O HETATM 2023 N1 G A 10 -18.023 0.085 -6.492 1.00 -0.34 N HETATM 2024 C2 G A 10 -17.638 0.022 -5.185 1.00 0.04 C HETATM 2025 C3 G A 10 -18.038 -1.048 -4.397 1.00 -0.04 C HETATM 2026 C4 G A 10 -17.686 -1.133 -3.048 1.00 -0.05 C HETATM 2027 C5 G A 10 -16.866 -0.174 -2.435 1.00 0.09 C HETATM 2028 C6 G A 10 -16.489 0.910 -3.250 1.00 -0.05 C HETATM 2029 C7 G A 10 -16.857 1.024 -4.628 1.00 -0.04 C HETATM 2030 H6 G A 10 -16.534 1.872 -5.221 1.00 0.05 H HETATM 2031 H5 G A 10 -15.889 1.699 -2.811 1.00 0.06 H HETATM 2032 S8 G A 10 -16.484 -0.217 -0.815 1.00 0.06 S HETATM 2033 O9 G A 10 -16.581 -1.576 -0.358 1.00 -0.15 O HETATM 2034 O10 G A 10 -15.229 0.464 -0.602 1.00 -0.15 O HETATM 2035 N11 G A 10 -17.561 0.581 -0.008 1.00 -0.23 N HETATM 2036 C12 G A 10 -17.550 2.070 -0.141 1.00 0.03 C HETATM 2037 C13 G A 10 -18.015 2.866 1.059 1.00 -0.03 C HETATM 2038 C14 G A 10 -16.978 2.729 2.181 1.00 -0.06 C HETATM 2039 H10 G A 10 -17.308 3.305 3.058 1.00 0.02 H HETATM 2040 H11 G A 10 -16.008 3.115 1.833 1.00 0.02 H HETATM 2041 H12 G A 10 -16.874 1.669 2.457 1.00 0.02 H HETATM 2042 C15 G A 10 -18.173 4.362 0.804 1.00 -0.06 C HETATM 2043 H13 G A 10 -18.910 4.522 0.003 1.00 0.02 H HETATM 2044 H14 G A 10 -17.205 4.787 0.501 1.00 0.02 H HETATM 2045 H15 G A 10 -18.518 4.856 1.724 1.00 0.02 H HETATM 2046 H9 G A 10 -18.982 2.459 1.390 1.00 0.03 H HETATM 2047 H7 G A 10 -18.201 2.333 -0.988 1.00 0.05 H HETATM 2048 H8 G A 10 -16.517 2.377 -0.364 1.00 0.05 H HETATM 2049 C16 G A 10 -18.838 -0.116 0.296 1.00 0.06 C HETATM 2050 C17 G A 10 -19.098 -0.414 1.760 1.00 0.10 C HETATM 2051 O18 G A 10 -20.492 -0.760 1.894 1.00 -0.39 O HETATM 2052 H19 G A 10 -20.680 -1.524 1.362 1.00 0.21 H HETATM 2053 C19 G A 10 -18.227 -1.568 2.244 1.00 0.08 C HETATM 2054 N20 G A 10 -18.323 -1.666 3.723 1.00 -0.26 N HETATM 2055 C21 G A 10 -17.373 -1.141 4.541 1.00 0.32 C HETATM 2056 O22 G A 10 -16.331 -0.633 4.270 1.00 -0.38 O HETATM 2057 O23 G A 10 -17.711 -1.324 5.889 1.00 -0.26 O HETATM 2058 C24 G A 10 -16.747 -1.107 6.928 1.00 0.12 C HETATM 2059 C25 G A 10 -17.453 -0.256 7.973 1.00 0.08 C HETATM 2060 O26 G A 10 -18.242 -1.217 8.690 1.00 -0.35 O HETATM 2061 C27 G A 10 -17.587 -2.488 8.683 1.00 0.17 C HETATM 2062 O28 G A 10 -18.487 -3.423 8.023 1.00 -0.34 O HETATM 2063 C29 G A 10 -17.990 -3.980 6.811 1.00 0.11 C HETATM 2064 C30 G A 10 -16.509 -3.674 6.841 1.00 0.28 C HETATM 2065 C31 G A 10 -16.426 -2.402 7.714 1.00 0.11 C HETATM 2066 H28 G A 10 -15.450 -2.337 8.217 1.00 0.04 H HETATM 2067 F39 G A 10 -15.997 -3.495 5.603 1.00 -0.20 F HETATM 2068 F40 G A 10 -15.704 -4.500 7.453 1.00 -0.20 F HETATM 2069 H26 G A 10 -18.468 -3.508 5.940 1.00 0.06 H HETATM 2070 H27 G A 10 -18.163 -5.066 6.781 1.00 0.06 H HETATM 2071 H25 G A 10 -17.287 -2.809 9.691 1.00 0.09 H HETATM 2072 H23 G A 10 -18.091 0.505 7.499 1.00 0.06 H HETATM 2073 H24 G A 10 -16.728 0.236 8.638 1.00 0.06 H HETATM 2074 H22 G A 10 -15.836 -0.636 6.530 1.00 0.07 H HETATM 2075 H21 G A 10 -19.109 -2.132 4.129 1.00 0.19 H HETATM 2076 C32 G A 10 -18.605 -2.968 1.700 1.00 0.01 C HETATM 2077 C38 G A 10 -17.629 -3.993 2.276 1.00 -0.04 C HETATM 2078 C33 G A 10 -18.117 -4.934 3.209 1.00 -0.06 C HETATM 2079 C34 G A 10 -17.313 -5.915 3.779 1.00 -0.07 C HETATM 2080 C35 G A 10 -15.957 -5.893 3.461 1.00 -0.07 C HETATM 2081 C36 G A 10 -15.430 -4.945 2.573 1.00 -0.07 C HETATM 2082 C37 G A 10 -16.279 -3.969 1.998 1.00 -0.06 C HETATM 2083 H35 G A 10 -15.870 -3.208 1.343 1.00 0.06 H HETATM 2084 H34 G A 10 -14.374 -4.959 2.327 1.00 0.06 H HETATM 2085 H33 G A 10 -15.295 -6.625 3.910 1.00 0.06 H HETATM 2086 H32 G A 10 -17.725 -6.666 4.444 1.00 0.06 H HETATM 2087 H31 G A 10 -19.162 -4.890 3.493 1.00 0.06 H HETATM 2088 H29 G A 10 -18.539 -2.969 0.602 1.00 0.04 H HETATM 2089 H30 G A 10 -19.631 -3.220 2.006 1.00 0.04 H HETATM 2090 H20 G A 10 -17.189 -1.351 1.953 1.00 0.06 H HETATM 2091 H18 G A 10 -18.878 0.480 2.362 1.00 0.06 H HETATM 2092 H16 G A 10 -18.838 -1.072 -0.248 1.00 0.05 H HETATM 2093 H17 G A 10 -19.662 0.514 -0.071 1.00 0.05 H HETATM 2094 H4 G A 10 -18.057 -1.963 -2.458 1.00 0.06 H HETATM 2095 H3 G A 10 -18.637 -1.836 -4.839 1.00 0.05 H HETATM 2096 H1 G A 10 -18.603 -0.665 -6.895 1.00 0.17 H HETATM 2097 H2 G A 10 -17.734 0.882 -7.076 1.00 0.17 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 827 826 829 1847 CONECT 924 925 930 931 932 CONECT 931 924 CONECT 932 924 CONECT 1847 827 CONECT 2023 2024 2096 2097 CONECT 2024 2023 2025 2029 CONECT 2025 2024 2026 2095 CONECT 2026 2025 2027 2094 CONECT 2027 2026 2028 2032 CONECT 2028 2027 2029 2031 CONECT 2029 2024 2028 2030 CONECT 2030 2029 CONECT 2031 2028 CONECT 2032 2027 2033 2034 2035 CONECT 2033 2032 CONECT 2034 2032 CONECT 2035 2032 2036 2049 CONECT 2036 2035 2037 2047 2048 CONECT 2037 2036 2038 2042 2046 CONECT 2038 2037 2039 2040 2041 CONECT 2039 2038 CONECT 2040 2038 CONECT 2041 2038 CONECT 2042 2037 2043 2044 2045 CONECT 2043 2042 CONECT 2044 2042 CONECT 2045 2042 CONECT 2046 2037 CONECT 2047 2036 CONECT 2048 2036 CONECT 2049 2035 2050 2092 2093 CONECT 2050 2049 2051 2053 2091 CONECT 2051 2050 2052 CONECT 2052 2051 CONECT 2053 2050 2054 2076 2090 CONECT 2054 2053 2055 2075 CONECT 2055 2054 2056 2057 CONECT 2056 2055 CONECT 2057 2055 2058 CONECT 2058 2057 2059 2065 2074 CONECT 2059 2058 2060 2072 2073 CONECT 2060 2059 2061 CONECT 2061 2060 2062 2065 2071 CONECT 2062 2061 2063 CONECT 2063 2062 2064 2069 2070 CONECT 2064 2063 2065 2067 2068 CONECT 2065 2058 2061 2064 2066 CONECT 2066 2065 CONECT 2067 2064 CONECT 2068 2064 CONECT 2069 2063 CONECT 2070 2063 CONECT 2071 2061 CONECT 2072 2059 CONECT 2073 2059 CONECT 2074 2058 CONECT 2075 2054 CONECT 2076 2053 2077 2088 2089 CONECT 2077 2076 2078 2082 CONECT 2078 2077 2079 2087 CONECT 2079 2078 2080 2086 CONECT 2080 2079 2081 2085 CONECT 2081 2080 2082 2084 CONECT 2082 2077 2081 2083 CONECT 2083 2082 CONECT 2084 2081 CONECT 2085 2080 CONECT 2086 2079 CONECT 2087 2078 CONECT 2088 2076 CONECT 2089 2076 CONECT 2090 2053 CONECT 2091 2050 CONECT 2092 2049 CONECT 2093 2049 CONECT 2094 2026 CONECT 2095 2025 CONECT 2096 2023 CONECT 2097 2023 MASTER 0 0 0 0 0 0 0 0 2095 2 83 16 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 4yhq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4ye3
RCSB PDB
PDBbind
99aa, >4YE3_1|Chains... *
6prf
RCSB PDB
PDBbind
99aa, >6PRF_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4u8w
RCSB PDB
PDBbind
G10
6dj7
RCSB PDB
PDBbind
G10
Entry Information
PDB ID
4yhq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Multidrug Resistant HIV-1 Protease Clinical Isolate PR20
Ligand Name
G10
EC.Number
E.C.3.4.23.16
Resolution
1.3(Å)
Affinity (Kd/Ki/IC50)
Ki=1.7nM
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
7
H
3
5
F
2
N
3
O
7
S
Molecular Weight
583.645
Exact Mass
583.216
No. of atoms
75
No. of bonds
78
Polar Surface Area
148.8
LOGP Value
3.25 (
Computed with XLOGP3
)
4.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1C(F)(F)CO2)O)C
InChI String
InChI=1S/C27H35F2N3O7S/c1-17(2)13-32(40(35,36)20-10-8-19(30)9-11-20)14-22(33)21(12-18-6-4-3-5-7-18)31-26(34)39-23-15-37-25-24(23)27(28,29)16-38-25/h3-11,17,21-25,33H,12-16,30H2,1-2H3,(H,31,34)/t21-,22+,23-,24-,25-/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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