Browse entries in the PDBbind-CN Database
HEADER 4M8X_COMPLEX COMPND 4M8X_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP GLN ARG PRO PHE VAL THR VAL SEQRES 2 A 99 LYS ILE ALA GLY GLN LEU MET GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR ILE LEU GLU GLU MET SER LEU PRO SEQRES 4 A 99 GLY ARG TRP THR PRO LYS VAL VAL GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE MET LYS VAL ARG GLN TYR ASP GLN ILE LEU VAL 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 ALA ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP GLN ARG PRO PHE VAL THR VAL SEQRES 2 B 99 LYS ILE ALA GLY GLN LEU MET GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR ILE LEU GLU GLU MET SER LEU PRO SEQRES 4 B 99 GLY ARG TRP THR PRO LYS VAL VAL GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE MET LYS VAL ARG GLN TYR ASP GLN ILE LEU VAL 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 ALA ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET KGQ A 273 98 ATOM 1 N PRO A 1 8.829 61.980 0.536 1.00 78.75 N ATOM 2 CA PRO A 1 8.663 62.109 1.992 1.00 78.10 C ATOM 3 C PRO A 1 8.425 60.774 2.733 1.00 75.74 C ATOM 4 O PRO A 1 7.902 59.816 2.178 1.00 73.54 O ATOM 5 CB PRO A 1 7.432 63.034 2.128 1.00 77.35 C ATOM 6 CG PRO A 1 7.429 63.860 0.861 1.00 78.82 C ATOM 7 CD PRO A 1 7.983 62.934 -0.215 1.00 78.65 C ATOM 8 HN2 PRO A 1 8.572 61.012 0.255 1.00 0.00 H ATOM 9 HN1 PRO A 1 9.825 62.156 0.296 1.00 0.00 H ATOM 10 N GLN A 2 8.844 60.706 3.984 1.00 75.56 N ATOM 11 CA GLN A 2 8.377 59.639 4.852 1.00 73.80 C ATOM 12 C GLN A 2 7.397 60.322 5.812 1.00 71.56 C ATOM 13 O GLN A 2 7.695 61.398 6.325 1.00 73.35 O ATOM 14 CB GLN A 2 9.548 58.942 5.570 1.00 75.67 C ATOM 15 CG GLN A 2 9.107 57.856 6.575 1.00 76.57 C ATOM 16 CD GLN A 2 10.266 57.024 7.130 1.00 81.38 C ATOM 17 OE1 GLN A 2 11.159 57.551 7.809 1.00 84.90 O ATOM 18 NE2 GLN A 2 10.246 55.715 6.855 1.00 81.37 N ATOM 19 HE22 GLN A 2 9.476 55.316 6.281 1.00 0.00 H ATOM 20 HE21 GLN A 2 11.000 55.096 7.215 1.00 0.00 H ATOM 21 H GLN A 2 9.509 61.418 4.348 1.00 0.00 H ATOM 22 N ILE A 3 6.213 59.741 6.018 1.00 68.05 N ATOM 23 CA ILE A 3 5.228 60.372 6.901 1.00 66.25 C ATOM 24 C ILE A 3 4.755 59.393 7.984 1.00 64.40 C ATOM 25 O ILE A 3 4.393 58.250 7.679 1.00 62.96 O ATOM 26 CB ILE A 3 4.032 61.047 6.123 1.00 65.62 C ATOM 27 CG1 ILE A 3 3.093 60.040 5.456 1.00 64.13 C ATOM 28 CG2 ILE A 3 4.556 62.037 5.049 1.00 66.23 C ATOM 29 CD1 ILE A 3 1.752 60.650 5.059 1.00 64.89 C ATOM 30 H ILE A 3 5.989 58.839 5.551 1.00 0.00 H ATOM 31 N THR A 4 4.777 59.835 9.244 1.00 63.57 N ATOM 32 CA THR A 4 4.222 59.030 10.343 1.00 62.17 C ATOM 33 C THR A 4 2.686 59.151 10.361 1.00 59.79 C ATOM 34 O THR A 4 2.105 59.956 9.614 1.00 58.58 O ATOM 35 CB THR A 4 4.841 59.416 11.722 1.00 64.39 C ATOM 36 OG1 THR A 4 4.614 60.804 11.980 1.00 66.00 O ATOM 37 CG2 THR A 4 6.350 59.109 11.734 1.00 65.85 C ATOM 38 HG1 THR A 4 3.640 60.981 11.996 1.00 0.00 H ATOM 39 H THR A 4 5.194 60.765 9.452 1.00 0.00 H ATOM 40 N LEU A 5 2.033 58.352 11.215 1.00 57.82 N ATOM 41 CA LEU A 5 0.577 58.190 11.154 1.00 55.99 C ATOM 42 C LEU A 5 -0.152 58.658 12.430 1.00 56.06 C ATOM 43 O LEU A 5 -1.296 58.280 12.647 1.00 54.68 O ATOM 44 CB LEU A 5 0.211 56.726 10.783 1.00 54.73 C ATOM 45 CG LEU A 5 0.535 56.303 9.350 1.00 52.96 C ATOM 46 CD1 LEU A 5 0.387 54.804 9.174 1.00 50.56 C ATOM 47 CD2 LEU A 5 -0.353 57.051 8.351 1.00 52.45 C ATOM 48 H LEU A 5 2.572 57.834 11.939 1.00 0.00 H ATOM 49 N TRP A 6 0.508 59.506 13.231 1.00 57.92 N ATOM 50 CA TRP A 6 -0.117 60.164 14.417 1.00 59.42 C ATOM 51 C TRP A 6 -1.236 61.134 14.004 1.00 59.34 C ATOM 52 O TRP A 6 -2.187 61.348 14.760 1.00 60.80 O ATOM 53 CB TRP A 6 0.933 60.901 15.273 1.00 61.74 C ATOM 54 CG TRP A 6 1.989 59.989 15.739 1.00 64.22 C ATOM 55 CD1 TRP A 6 3.224 59.804 15.187 1.00 65.39 C ATOM 56 CD2 TRP A 6 1.889 59.074 16.826 1.00 68.35 C ATOM 57 NE1 TRP A 6 3.905 58.827 15.873 1.00 68.15 N ATOM 58 CE2 TRP A 6 3.107 58.360 16.884 1.00 68.71 C ATOM 59 CE3 TRP A 6 0.891 58.801 17.773 1.00 70.72 C ATOM 60 CZ2 TRP A 6 3.361 57.390 17.857 1.00 72.65 C ATOM 61 CZ3 TRP A 6 1.137 57.828 18.738 1.00 72.89 C ATOM 62 CH2 TRP A 6 2.367 57.134 18.771 1.00 73.54 C ATOM 63 HE1 TRP A 6 4.868 58.497 15.660 1.00 0.00 H ATOM 64 H TRP A 6 1.504 59.716 13.016 1.00 0.00 H ATOM 65 N GLN A 7 -1.131 61.720 12.813 1.00 58.07 N ATOM 66 CA GLN A 7 -2.259 62.472 12.236 1.00 58.13 C ATOM 67 C GLN A 7 -2.646 61.915 10.866 1.00 55.18 C ATOM 68 O GLN A 7 -1.873 61.147 10.255 1.00 52.67 O ATOM 69 CB GLN A 7 -1.954 63.980 12.188 1.00 60.86 C ATOM 70 CG GLN A 7 -0.609 64.369 11.519 1.00 63.38 C ATOM 71 CD GLN A 7 0.061 65.651 12.101 1.00 68.48 C ATOM 72 OE1 GLN A 7 -0.441 66.289 13.045 1.00 71.08 O ATOM 73 NE2 GLN A 7 1.214 66.005 11.531 1.00 69.82 N ATOM 74 HE22 GLN A 7 1.599 65.444 10.744 1.00 0.00 H ATOM 75 HE21 GLN A 7 1.728 66.842 11.873 1.00 0.00 H ATOM 76 H GLN A 7 -0.240 61.646 12.282 1.00 0.00 H ATOM 77 N ARG A 8 -3.846 62.278 10.402 1.00 54.69 N ATOM 78 CA ARG A 8 -4.357 61.799 9.096 1.00 54.30 C ATOM 79 C ARG A 8 -3.357 62.217 8.010 1.00 52.70 C ATOM 80 O ARG A 8 -2.872 63.345 8.056 1.00 53.07 O ATOM 81 CB ARG A 8 -5.727 62.400 8.785 1.00 56.05 C ATOM 82 CG ARG A 8 -6.876 61.948 9.688 1.00 59.87 C ATOM 83 CD ARG A 8 -7.957 63.046 9.750 1.00 67.62 C ATOM 84 NE ARG A 8 -9.312 62.548 10.039 1.00 74.43 N ATOM 85 CZ ARG A 8 -9.943 62.597 11.226 1.00 81.81 C ATOM 86 NH1 ARG A 8 -11.192 62.116 11.334 1.00 84.93 N ATOM 87 NH2 ARG A 8 -9.353 63.101 12.324 1.00 84.09 N ATOM 88 HE ARG A 8 -9.832 62.116 9.248 1.00 0.00 H ATOM 89 HH12 ARG A 8 -11.685 62.151 12.249 1.00 0.00 H ATOM 90 HH11 ARG A 8 -11.666 61.709 10.503 1.00 0.00 H ATOM 91 HH22 ARG A 8 -9.868 63.124 13.227 1.00 0.00 H ATOM 92 HH21 ARG A 8 -8.381 63.467 12.270 1.00 0.00 H ATOM 93 H ARG A 8 -4.438 62.914 10.974 1.00 0.00 H ATOM 94 N PRO A 9 -2.997 61.295 7.081 1.00 51.05 N ATOM 95 CA PRO A 9 -1.990 61.543 6.037 1.00 50.43 C ATOM 96 C PRO A 9 -2.516 62.292 4.779 1.00 50.49 C ATOM 97 O PRO A 9 -2.682 61.699 3.693 1.00 48.85 O ATOM 98 CB PRO A 9 -1.498 60.134 5.710 1.00 49.84 C ATOM 99 CG PRO A 9 -2.645 59.305 5.899 1.00 48.80 C ATOM 100 CD PRO A 9 -3.337 59.862 7.129 1.00 50.10 C ATOM 101 N PHE A 10 -2.823 63.571 4.980 1.00 53.69 N ATOM 102 CA PHE A 10 -3.258 64.474 3.932 1.00 54.13 C ATOM 103 C PHE A 10 -2.084 64.977 3.136 1.00 54.41 C ATOM 104 O PHE A 10 -1.021 65.283 3.707 1.00 55.08 O ATOM 105 CB PHE A 10 -4.014 65.671 4.519 1.00 55.31 C ATOM 106 CG PHE A 10 -5.414 65.345 4.936 1.00 56.61 C ATOM 107 CD1 PHE A 10 -6.396 65.132 3.979 1.00 57.92 C ATOM 108 CD2 PHE A 10 -5.750 65.250 6.287 1.00 62.05 C ATOM 109 CE1 PHE A 10 -7.693 64.830 4.347 1.00 60.56 C ATOM 110 CE2 PHE A 10 -7.053 64.936 6.680 1.00 62.82 C ATOM 111 CZ PHE A 10 -8.022 64.716 5.713 1.00 61.68 C ATOM 112 H PHE A 10 -2.746 63.946 5.947 1.00 0.00 H ATOM 113 N VAL A 11 -2.297 65.056 1.824 1.00 52.91 N ATOM 114 CA VAL A 11 -1.391 65.674 0.892 1.00 53.52 C ATOM 115 C VAL A 11 -2.179 66.669 0.028 1.00 53.81 C ATOM 116 O VAL A 11 -3.385 66.527 -0.178 1.00 53.06 O ATOM 117 CB VAL A 11 -0.689 64.605 -0.032 1.00 53.14 C ATOM 118 CG1 VAL A 11 0.281 63.755 0.803 1.00 55.36 C ATOM 119 CG2 VAL A 11 -1.711 63.736 -0.777 1.00 51.63 C ATOM 120 H VAL A 11 -3.175 64.644 1.448 1.00 0.00 H ATOM 121 N THR A 12 -1.512 67.698 -0.471 1.00 54.89 N ATOM 122 CA THR A 12 -2.177 68.620 -1.395 1.00 55.59 C ATOM 123 C THR A 12 -2.145 67.979 -2.778 1.00 55.22 C ATOM 124 O THR A 12 -1.135 67.390 -3.172 1.00 55.52 O ATOM 125 CB THR A 12 -1.546 70.040 -1.359 1.00 56.51 C ATOM 126 OG1 THR A 12 -1.684 70.568 -0.039 1.00 58.33 O ATOM 127 CG2 THR A 12 -2.277 71.006 -2.345 1.00 58.46 C ATOM 128 HG1 THR A 12 -1.285 71.473 -0.004 1.00 0.00 H ATOM 129 H THR A 12 -0.518 67.852 -0.207 1.00 0.00 H ATOM 130 N VAL A 13 -3.279 68.031 -3.471 1.00 54.84 N ATOM 131 CA VAL A 13 -3.386 67.510 -4.823 1.00 54.71 C ATOM 132 C VAL A 13 -4.006 68.602 -5.704 1.00 54.73 C ATOM 133 O VAL A 13 -4.833 69.393 -5.240 1.00 54.58 O ATOM 134 CB VAL A 13 -4.251 66.208 -4.877 1.00 54.64 C ATOM 135 CG1 VAL A 13 -3.727 65.165 -3.823 1.00 53.92 C ATOM 136 CG2 VAL A 13 -5.677 66.516 -4.585 1.00 55.63 C ATOM 137 H VAL A 13 -4.118 68.459 -3.030 1.00 0.00 H ATOM 138 N LYS A 14 -3.564 68.649 -6.951 1.00 55.08 N ATOM 139 CA LYS A 14 -4.086 69.559 -7.974 1.00 56.56 C ATOM 140 C LYS A 14 -4.671 68.742 -9.150 1.00 57.71 C ATOM 141 O LYS A 14 -3.969 67.916 -9.743 1.00 56.95 O ATOM 142 CB LYS A 14 -2.955 70.463 -8.468 1.00 57.02 C ATOM 143 CG LYS A 14 -3.391 71.579 -9.405 1.00 58.66 C ATOM 144 CD LYS A 14 -2.196 72.371 -9.927 1.00 62.85 C ATOM 145 CE LYS A 14 -2.600 73.218 -11.167 1.00 66.62 C ATOM 146 NZ LYS A 14 -1.444 73.689 -12.010 1.00 71.21 N ATOM 147 HZ1 LYS A 14 -0.814 74.281 -11.432 1.00 0.00 H ATOM 148 HZ2 LYS A 14 -0.918 72.866 -12.366 1.00 0.00 H ATOM 149 HZ3 LYS A 14 -1.805 74.244 -12.812 1.00 0.00 H ATOM 150 H LYS A 14 -2.798 67.999 -7.222 1.00 0.00 H ATOM 151 N ILE A 15 -5.946 68.978 -9.473 1.00 59.50 N ATOM 152 CA ILE A 15 -6.684 68.185 -10.476 1.00 61.64 C ATOM 153 C ILE A 15 -7.584 69.126 -11.284 1.00 62.85 C ATOM 154 O ILE A 15 -8.517 69.726 -10.736 1.00 63.19 O ATOM 155 CB ILE A 15 -7.571 67.066 -9.828 1.00 62.06 C ATOM 156 CG1 ILE A 15 -6.777 66.291 -8.793 1.00 63.78 C ATOM 157 CG2 ILE A 15 -8.105 66.092 -10.921 1.00 63.60 C ATOM 158 CD1 ILE A 15 -7.599 65.269 -8.026 1.00 66.74 C ATOM 159 H ILE A 15 -6.442 69.757 -8.995 1.00 0.00 H ATOM 160 N ALA A 16 -7.267 69.278 -12.571 1.00 63.72 N ATOM 161 CA ALA A 16 -7.981 70.193 -13.474 1.00 64.87 C ATOM 162 C ALA A 16 -7.865 71.635 -12.974 1.00 64.53 C ATOM 163 O ALA A 16 -8.869 72.352 -12.919 1.00 65.64 O ATOM 164 CB ALA A 16 -9.459 69.778 -13.618 1.00 66.41 C ATOM 165 H ALA A 16 -6.476 68.722 -12.954 1.00 0.00 H ATOM 166 N GLY A 17 -6.643 72.031 -12.582 1.00 62.78 N ATOM 167 CA GLY A 17 -6.351 73.390 -12.100 1.00 61.79 C ATOM 168 C GLY A 17 -6.901 73.719 -10.709 1.00 61.05 C ATOM 169 O GLY A 17 -6.752 74.840 -10.257 1.00 61.34 O ATOM 170 H GLY A 17 -5.864 71.343 -12.621 1.00 0.00 H ATOM 171 N GLN A 18 -7.561 72.763 -10.046 1.00 60.24 N ATOM 172 CA GLN A 18 -8.130 72.958 -8.695 1.00 59.92 C ATOM 173 C GLN A 18 -7.254 72.311 -7.625 1.00 57.70 C ATOM 174 O GLN A 18 -6.818 71.163 -7.771 1.00 55.06 O ATOM 175 CB GLN A 18 -9.497 72.292 -8.592 1.00 60.94 C ATOM 176 CG GLN A 18 -10.574 72.881 -9.430 1.00 65.67 C ATOM 177 CD GLN A 18 -11.853 72.058 -9.331 1.00 69.86 C ATOM 178 OE1 GLN A 18 -12.427 71.908 -8.246 1.00 72.01 O ATOM 179 NE2 GLN A 18 -12.298 71.516 -10.466 1.00 73.26 N ATOM 180 HE22 GLN A 18 -11.780 71.671 -11.354 1.00 0.00 H ATOM 181 HE21 GLN A 18 -13.163 70.939 -10.462 1.00 0.00 H ATOM 182 H GLN A 18 -7.680 71.837 -10.503 1.00 0.00 H ATOM 183 N LEU A 19 -7.096 73.009 -6.506 1.00 58.05 N ATOM 184 CA LEU A 19 -6.340 72.487 -5.362 1.00 57.23 C ATOM 185 C LEU A 19 -7.264 71.896 -4.295 1.00 57.74 C ATOM 186 O LEU A 19 -8.354 72.401 -4.055 1.00 58.70 O ATOM 187 CB LEU A 19 -5.484 73.587 -4.739 1.00 57.84 C ATOM 188 CG LEU A 19 -4.563 74.341 -5.701 1.00 58.23 C ATOM 189 CD1 LEU A 19 -3.856 75.496 -4.985 1.00 60.48 C ATOM 190 CD2 LEU A 19 -3.569 73.365 -6.302 1.00 56.08 C ATOM 191 H LEU A 19 -7.522 73.956 -6.439 1.00 0.00 H ATOM 192 N MET A 20 -6.828 70.811 -3.666 1.00 57.01 N ATOM 193 CA MET A 20 -7.581 70.234 -2.547 1.00 58.10 C ATOM 194 C MET A 20 -6.654 69.345 -1.748 1.00 56.69 C ATOM 195 O MET A 20 -5.513 69.064 -2.133 1.00 55.04 O ATOM 196 CB MET A 20 -8.833 69.461 -3.030 1.00 58.52 C ATOM 197 CG MET A 20 -8.540 68.215 -3.891 1.00 59.27 C ATOM 198 SD MET A 20 -9.848 67.833 -5.103 1.00 66.43 S ATOM 199 CE MET A 20 -9.485 69.016 -6.405 1.00 58.45 C ATOM 200 H MET A 20 -5.940 70.364 -3.971 1.00 0.00 H ATOM 201 N GLU A 21 -7.146 68.947 -0.600 1.00 57.38 N ATOM 202 CA GLU A 21 -6.430 68.018 0.230 1.00 57.46 C ATOM 203 C GLU A 21 -7.076 66.677 0.093 1.00 55.93 C ATOM 204 O GLU A 21 -8.288 66.598 -0.056 1.00 56.01 O ATOM 205 CB GLU A 21 -6.446 68.493 1.652 1.00 59.25 C ATOM 206 CG GLU A 21 -5.697 69.776 1.765 1.00 64.11 C ATOM 207 CD GLU A 21 -4.670 69.705 2.835 1.00 69.13 C ATOM 208 OE1 GLU A 21 -4.798 70.485 3.796 1.00 75.23 O ATOM 209 OE2 GLU A 21 -3.760 68.846 2.726 1.00 72.45 O ATOM 210 H GLU A 21 -8.069 69.309 -0.285 1.00 0.00 H ATOM 211 N ALA A 22 -6.240 65.635 0.109 1.00 54.93 N ATOM 212 CA ALA A 22 -6.659 64.248 -0.034 1.00 52.94 C ATOM 213 C ALA A 22 -5.822 63.362 0.880 1.00 52.68 C ATOM 214 O ALA A 22 -4.639 63.596 1.111 1.00 52.51 O ATOM 215 CB ALA A 22 -6.530 63.785 -1.473 1.00 52.09 C ATOM 216 H ALA A 22 -5.225 65.827 0.231 1.00 0.00 H ATOM 217 N LEU A 23 -6.483 62.323 1.370 1.00 52.35 N ATOM 218 CA LEU A 23 -5.945 61.370 2.276 1.00 52.66 C ATOM 219 C LEU A 23 -5.222 60.266 1.508 1.00 51.74 C ATOM 220 O LEU A 23 -5.789 59.636 0.607 1.00 51.50 O ATOM 221 CB LEU A 23 -7.159 60.820 3.054 1.00 54.13 C ATOM 222 CG LEU A 23 -7.059 60.309 4.442 1.00 56.83 C ATOM 223 CD1 LEU A 23 -6.516 61.397 5.396 1.00 58.30 C ATOM 224 CD2 LEU A 23 -8.461 59.824 4.799 1.00 59.47 C ATOM 225 H LEU A 23 -7.470 62.196 1.068 1.00 0.00 H ATOM 226 N LEU A 24 -3.946 60.065 1.804 1.00 51.80 N ATOM 227 CA LEU A 24 -3.237 58.893 1.290 1.00 51.89 C ATOM 228 C LEU A 24 -3.792 57.663 2.014 1.00 51.40 C ATOM 229 O LEU A 24 -3.614 57.513 3.237 1.00 52.71 O ATOM 230 CB LEU A 24 -1.732 58.993 1.516 1.00 52.81 C ATOM 231 CG LEU A 24 -1.072 60.235 0.904 1.00 53.40 C ATOM 232 CD1 LEU A 24 0.396 60.297 1.413 1.00 55.04 C ATOM 233 CD2 LEU A 24 -1.221 60.309 -0.634 1.00 52.36 C ATOM 234 H LEU A 24 -3.444 60.747 2.408 1.00 0.00 H ATOM 235 N ASP A 25 -4.454 56.787 1.258 1.00 50.44 N ATOM 236 CA ASP A 25 -5.343 55.763 1.848 1.00 50.28 C ATOM 237 C ASP A 25 -5.032 54.379 1.269 1.00 49.74 C ATOM 238 O ASP A 25 -5.555 53.992 0.199 1.00 50.12 O ATOM 239 CB ASP A 25 -6.784 56.174 1.580 1.00 50.62 C ATOM 240 CG ASP A 25 -7.793 55.361 2.350 1.00 53.35 C ATOM 241 OD1 ASP A 25 -7.438 54.391 3.044 1.00 57.70 O ATOM 242 OD2 ASP A 25 -8.979 55.725 2.266 1.00 58.63 O ATOM 243 H ASP A 25 -4.342 56.825 0.225 1.00 0.00 H ATOM 244 N THR A 26 -4.140 53.666 1.955 1.00 49.81 N ATOM 245 CA THR A 26 -3.736 52.306 1.578 1.00 49.96 C ATOM 246 C THR A 26 -4.912 51.311 1.625 1.00 50.15 C ATOM 247 O THR A 26 -4.878 50.297 0.928 1.00 50.22 O ATOM 248 CB THR A 26 -2.613 51.792 2.466 1.00 50.85 C ATOM 249 OG1 THR A 26 -3.055 51.804 3.833 1.00 51.57 O ATOM 250 CG2 THR A 26 -1.340 52.665 2.337 1.00 51.24 C ATOM 251 HG1 THR A 26 -3.849 51.221 3.927 1.00 0.00 H ATOM 252 H THR A 26 -3.709 54.094 2.799 1.00 0.00 H ATOM 253 N GLY A 27 -5.975 51.633 2.379 1.00 49.61 N ATOM 254 CA GLY A 27 -7.195 50.798 2.428 1.00 49.70 C ATOM 255 C GLY A 27 -8.232 50.977 1.327 1.00 49.88 C ATOM 256 O GLY A 27 -9.263 50.284 1.345 1.00 50.02 O ATOM 257 H GLY A 27 -5.939 52.502 2.950 1.00 0.00 H ATOM 258 N ALA A 28 -7.945 51.887 0.362 1.00 49.33 N ATOM 259 CA ALA A 28 -8.827 52.291 -0.683 1.00 49.69 C ATOM 260 C ALA A 28 -8.266 51.738 -1.985 1.00 50.98 C ATOM 261 O ALA A 28 -7.120 52.027 -2.328 1.00 50.00 O ATOM 262 CB ALA A 28 -8.888 53.831 -0.768 1.00 49.11 C ATOM 263 H ALA A 28 -7.003 52.327 0.387 1.00 0.00 H ATOM 264 N ASP A 29 -9.038 50.921 -2.704 1.00 52.40 N ATOM 265 CA ASP A 29 -8.564 50.439 -4.007 1.00 53.93 C ATOM 266 C ASP A 29 -8.548 51.585 -5.011 1.00 54.71 C ATOM 267 O ASP A 29 -7.703 51.617 -5.901 1.00 55.02 O ATOM 268 CB ASP A 29 -9.461 49.353 -4.609 1.00 55.14 C ATOM 269 CG ASP A 29 -9.675 48.170 -3.706 1.00 56.87 C ATOM 270 OD1 ASP A 29 -8.828 47.855 -2.796 1.00 59.69 O ATOM 271 OD2 ASP A 29 -10.745 47.549 -3.923 1.00 58.43 O ATOM 272 H ASP A 29 -9.969 50.628 -2.344 1.00 0.00 H ATOM 273 N ASP A 30 -9.500 52.511 -4.845 1.00 55.65 N ATOM 274 CA ASP A 30 -9.822 53.545 -5.839 1.00 57.07 C ATOM 275 C ASP A 30 -9.701 54.937 -5.240 1.00 55.23 C ATOM 276 O ASP A 30 -9.853 55.129 -4.024 1.00 55.21 O ATOM 277 CB ASP A 30 -11.280 53.403 -6.329 1.00 58.78 C ATOM 278 CG ASP A 30 -11.546 52.095 -7.074 1.00 64.37 C ATOM 279 OD1 ASP A 30 -10.706 51.650 -7.913 1.00 69.28 O ATOM 280 OD2 ASP A 30 -12.647 51.537 -6.844 1.00 72.23 O ATOM 281 H ASP A 30 -10.045 52.498 -3.959 1.00 0.00 H ATOM 282 N THR A 31 -9.443 55.899 -6.122 1.00 54.29 N ATOM 283 CA THR A 31 -9.383 57.306 -5.771 1.00 52.90 C ATOM 284 C THR A 31 -10.783 57.918 -5.902 1.00 54.43 C ATOM 285 O THR A 31 -11.453 57.765 -6.937 1.00 53.17 O ATOM 286 CB THR A 31 -8.333 58.060 -6.663 1.00 52.17 C ATOM 287 OG1 THR A 31 -7.021 57.610 -6.293 1.00 50.11 O ATOM 288 CG2 THR A 31 -8.438 59.583 -6.487 1.00 47.74 C ATOM 289 HG1 THR A 31 -6.954 56.633 -6.441 1.00 0.00 H ATOM 290 H THR A 31 -9.276 55.629 -7.112 1.00 0.00 H ATOM 291 N ILE A 32 -11.218 58.585 -4.835 1.00 54.99 N ATOM 292 CA ILE A 32 -12.555 59.171 -4.760 1.00 58.05 C ATOM 293 C ILE A 32 -12.428 60.600 -4.285 1.00 60.11 C ATOM 294 O ILE A 32 -11.837 60.873 -3.238 1.00 59.26 O ATOM 295 CB ILE A 32 -13.539 58.405 -3.810 1.00 58.96 C ATOM 296 CG1 ILE A 32 -13.550 56.895 -4.138 1.00 58.38 C ATOM 297 CG2 ILE A 32 -14.945 59.054 -3.900 1.00 58.36 C ATOM 298 CD1 ILE A 32 -14.112 56.026 -3.093 1.00 57.34 C ATOM 299 H ILE A 32 -10.580 58.694 -4.021 1.00 0.00 H ATOM 300 N LEU A 33 -12.997 61.506 -5.063 1.00 58.12 N ATOM 301 CA LEU A 33 -12.941 62.928 -4.791 1.00 63.03 C ATOM 302 C LEU A 33 -14.327 63.534 -4.538 1.00 67.50 C ATOM 303 O LEU A 33 -15.327 63.090 -5.083 1.00 66.73 O ATOM 304 CB LEU A 33 -12.263 63.664 -5.965 1.00 63.08 C ATOM 305 CG LEU A 33 -10.784 63.322 -6.216 1.00 62.91 C ATOM 306 CD1 LEU A 33 -10.356 64.027 -7.468 1.00 65.89 C ATOM 307 CD2 LEU A 33 -9.875 63.682 -5.021 1.00 63.44 C ATOM 308 H LEU A 33 -13.508 61.183 -5.909 1.00 0.00 H ATOM 309 N GLU A 34 -14.340 64.570 -3.710 1.00 74.03 N ATOM 310 CA GLU A 34 -15.554 65.267 -3.303 1.00 80.43 C ATOM 311 C GLU A 34 -16.097 66.053 -4.482 1.00 85.24 C ATOM 312 O GLU A 34 -15.366 66.312 -5.452 1.00 85.08 O ATOM 313 CB GLU A 34 -15.263 66.211 -2.120 1.00 83.33 C ATOM 314 CG GLU A 34 -16.094 65.936 -0.870 1.00 86.00 C ATOM 315 CD GLU A 34 -15.495 66.550 0.396 1.00 90.22 C ATOM 316 OE1 GLU A 34 -14.820 67.606 0.317 1.00 93.14 O ATOM 317 OE2 GLU A 34 -15.710 65.973 1.480 1.00 91.21 O ATOM 318 H GLU A 34 -13.432 64.904 -3.329 1.00 0.00 H ATOM 319 N GLU A 35 -17.376 66.421 -4.384 1.00 91.59 N ATOM 320 CA GLU A 35 -18.093 67.095 -5.479 1.00 97.38 C ATOM 321 C GLU A 35 -17.219 68.194 -6.115 1.00100.00 C ATOM 322 O GLU A 35 -16.918 69.203 -5.471 1.00102.21 O ATOM 323 CB GLU A 35 -19.444 67.690 -4.999 1.00101.89 C ATOM 324 CG GLU A 35 -20.413 66.720 -4.251 1.00103.58 C ATOM 325 CD GLU A 35 -21.089 65.673 -5.146 1.00104.84 C ATOM 326 OE1 GLU A 35 -20.715 65.530 -6.335 1.00105.53 O ATOM 327 OE2 GLU A 35 -22.007 64.984 -4.645 1.00105.59 O ATOM 328 H GLU A 35 -17.886 66.224 -3.499 1.00 0.00 H ATOM 329 N MET A 36 -16.794 67.958 -7.360 1.00100.85 N ATOM 330 CA MET A 36 -15.969 68.901 -8.114 1.00103.51 C ATOM 331 C MET A 36 -16.390 68.871 -9.579 1.00106.65 C ATOM 332 O MET A 36 -16.962 67.875 -10.035 1.00105.85 O ATOM 333 CB MET A 36 -14.480 68.545 -7.983 1.00100.15 C ATOM 334 CG MET A 36 -14.025 67.352 -8.844 1.00 96.56 C ATOM 335 SD MET A 36 -12.252 67.004 -8.804 1.00 90.58 S ATOM 336 CE MET A 36 -11.545 68.567 -9.339 1.00 94.34 C ATOM 337 H MET A 36 -17.063 67.062 -7.814 1.00 0.00 H ATOM 338 N SER A 37 -16.102 69.957 -10.305 1.00111.35 N ATOM 339 CA SER A 37 -16.414 70.051 -11.739 1.00115.02 C ATOM 340 C SER A 37 -15.226 69.563 -12.581 1.00112.87 C ATOM 341 O SER A 37 -14.149 70.183 -12.589 1.00112.29 O ATOM 342 CB SER A 37 -16.820 71.483 -12.135 1.00120.38 C ATOM 343 OG SER A 37 -15.732 72.386 -12.042 1.00120.90 O ATOM 344 HG SER A 37 -15.007 72.090 -12.647 1.00 0.00 H ATOM 345 H SER A 37 -15.641 70.764 -9.838 1.00 0.00 H ATOM 346 N LEU A 38 -15.436 68.438 -13.269 1.00112.45 N ATOM 347 CA LEU A 38 -14.418 67.809 -14.111 1.00110.92 C ATOM 348 C LEU A 38 -14.999 67.685 -15.515 1.00115.49 C ATOM 349 O LEU A 38 -16.173 67.341 -15.671 1.00117.71 O ATOM 350 CB LEU A 38 -14.047 66.419 -13.569 1.00106.87 C ATOM 351 CG LEU A 38 -12.566 66.038 -13.474 1.00101.95 C ATOM 352 CD1 LEU A 38 -11.819 66.987 -12.561 1.00 99.20 C ATOM 353 CD2 LEU A 38 -12.426 64.611 -12.978 1.00 97.51 C ATOM 354 H LEU A 38 -16.370 67.986 -13.203 1.00 0.00 H ATOM 355 N PRO A 39 -14.189 67.985 -16.544 1.00117.94 N ATOM 356 CA PRO A 39 -14.732 67.940 -17.900 1.00122.81 C ATOM 357 C PRO A 39 -14.723 66.532 -18.514 1.00123.00 C ATOM 358 O PRO A 39 -13.965 65.665 -18.075 1.00119.30 O ATOM 359 CB PRO A 39 -13.807 68.882 -18.668 1.00123.85 C ATOM 360 CG PRO A 39 -12.497 68.814 -17.934 1.00118.99 C ATOM 361 CD PRO A 39 -12.784 68.447 -16.514 1.00115.81 C ATOM 362 N GLY A 40 -15.587 66.318 -19.506 1.00128.26 N ATOM 363 CA GLY A 40 -15.578 65.104 -20.319 1.00129.78 C ATOM 364 C GLY A 40 -16.669 64.096 -20.012 1.00131.30 C ATOM 365 O GLY A 40 -17.600 64.363 -19.248 1.00131.83 O ATOM 366 H GLY A 40 -16.299 67.048 -19.711 1.00 0.00 H ATOM 367 N ARG A 41 -16.538 62.928 -20.630 1.00132.43 N ATOM 368 CA ARG A 41 -17.476 61.830 -20.452 1.00134.10 C ATOM 369 C ARG A 41 -17.134 61.032 -19.174 1.00127.18 C ATOM 370 O ARG A 41 -15.982 61.037 -18.724 1.00122.85 O ATOM 371 CB ARG A 41 -17.428 60.928 -21.690 1.00138.76 C ATOM 372 CG ARG A 41 -18.628 60.015 -21.847 1.00147.08 C ATOM 373 CD ARG A 41 -18.329 58.810 -22.722 1.00155.31 C ATOM 374 NE ARG A 41 -19.163 57.672 -22.327 1.00160.32 N ATOM 375 CZ ARG A 41 -18.796 56.691 -21.497 1.00160.01 C ATOM 376 NH1 ARG A 41 -17.584 56.662 -20.947 1.00156.29 N ATOM 377 NH2 ARG A 41 -19.655 55.715 -21.213 1.00162.85 N ATOM 378 HE ARG A 41 -20.122 57.624 -22.726 1.00 0.00 H ATOM 379 HH12 ARG A 41 -17.323 55.887 -20.304 1.00 0.00 H ATOM 380 HH11 ARG A 41 -16.898 57.414 -21.160 1.00 0.00 H ATOM 381 HH22 ARG A 41 -19.376 54.948 -20.568 1.00 0.00 H ATOM 382 HH21 ARG A 41 -20.605 55.719 -21.636 1.00 0.00 H ATOM 383 H ARG A 41 -15.729 62.792 -21.270 1.00 0.00 H ATOM 384 N TRP A 42 -18.143 60.369 -18.597 1.00125.57 N ATOM 385 CA TRP A 42 -17.965 59.474 -17.436 1.00119.91 C ATOM 386 C TRP A 42 -18.816 58.188 -17.477 1.00119.68 C ATOM 387 O TRP A 42 -19.805 58.097 -18.213 1.00123.79 O ATOM 388 CB TRP A 42 -18.234 60.225 -16.123 1.00117.50 C ATOM 389 CG TRP A 42 -19.530 61.018 -16.048 1.00121.93 C ATOM 390 CD1 TRP A 42 -19.680 62.358 -16.274 1.00125.27 C ATOM 391 CD2 TRP A 42 -20.832 60.530 -15.675 1.00125.44 C ATOM 392 NE1 TRP A 42 -20.989 62.731 -16.084 1.00129.11 N ATOM 393 CE2 TRP A 42 -21.718 61.631 -15.715 1.00129.56 C ATOM 394 CE3 TRP A 42 -21.336 59.272 -15.321 1.00125.69 C ATOM 395 CZ2 TRP A 42 -23.080 61.509 -15.419 1.00133.39 C ATOM 396 CZ3 TRP A 42 -22.694 59.153 -15.027 1.00129.04 C ATOM 397 CH2 TRP A 42 -23.547 60.266 -15.078 1.00132.86 C ATOM 398 HE1 TRP A 42 -21.366 63.693 -16.201 1.00 0.00 H ATOM 399 H TRP A 42 -19.100 60.490 -18.986 1.00 0.00 H ATOM 400 N THR A 43 -18.406 57.197 -16.678 1.00114.04 N ATOM 401 CA THR A 43 -19.139 55.939 -16.536 1.00113.09 C ATOM 402 C THR A 43 -19.816 55.876 -15.165 1.00108.53 C ATOM 403 O THR A 43 -19.137 55.994 -14.137 1.00103.89 O ATOM 404 CB THR A 43 -18.206 54.723 -16.652 1.00112.29 C ATOM 405 OG1 THR A 43 -17.435 54.811 -17.852 1.00114.36 O ATOM 406 CG2 THR A 43 -19.009 53.448 -16.680 1.00115.12 C ATOM 407 HG1 THR A 43 -16.838 54.024 -17.918 1.00 0.00 H ATOM 408 H THR A 43 -17.529 57.326 -16.135 1.00 0.00 H ATOM 409 N PRO A 44 -21.156 55.700 -15.138 1.00108.60 N ATOM 410 CA PRO A 44 -21.824 55.530 -13.840 1.00104.15 C ATOM 411 C PRO A 44 -21.358 54.273 -13.130 1.00 98.40 C ATOM 412 O PRO A 44 -21.182 53.228 -13.746 1.00 99.21 O ATOM 413 CB PRO A 44 -23.315 55.438 -14.193 1.00108.81 C ATOM 414 CG PRO A 44 -23.368 55.175 -15.656 1.00114.57 C ATOM 415 CD PRO A 44 -22.118 55.712 -16.259 1.00114.04 C ATOM 416 N LYS A 45 -21.148 54.398 -11.830 1.00 91.32 N ATOM 417 CA LYS A 45 -20.587 53.323 -11.039 1.00 86.53 C ATOM 418 C LYS A 45 -21.015 53.524 -9.572 1.00 81.24 C ATOM 419 O LYS A 45 -21.430 54.610 -9.184 1.00 79.71 O ATOM 420 CB LYS A 45 -19.056 53.317 -11.223 1.00 85.06 C ATOM 421 CG LYS A 45 -18.318 52.213 -10.487 1.00 84.57 C ATOM 422 CD LYS A 45 -16.902 51.989 -11.005 1.00 85.63 C ATOM 423 CE LYS A 45 -16.883 50.800 -11.964 1.00 90.35 C ATOM 424 NZ LYS A 45 -15.611 50.649 -12.733 1.00 92.05 N ATOM 425 HZ1 LYS A 45 -15.449 51.503 -13.304 1.00 0.00 H ATOM 426 HZ2 LYS A 45 -14.820 50.518 -12.070 1.00 0.00 H ATOM 427 HZ3 LYS A 45 -15.682 49.821 -13.358 1.00 0.00 H ATOM 428 H LYS A 45 -21.393 55.294 -11.363 1.00 0.00 H ATOM 429 N VAL A 46 -20.963 52.457 -8.779 1.00 77.55 N ATOM 430 CA VAL A 46 -21.259 52.506 -7.325 1.00 72.97 C ATOM 431 C VAL A 46 -20.021 51.941 -6.607 1.00 69.27 C ATOM 432 O VAL A 46 -19.443 50.953 -7.086 1.00 69.68 O ATOM 433 CB VAL A 46 -22.555 51.691 -6.985 1.00 74.22 C ATOM 434 CG1 VAL A 46 -22.947 51.866 -5.569 1.00 72.11 C ATOM 435 CG2 VAL A 46 -23.725 52.123 -7.876 1.00 76.87 C ATOM 436 H VAL A 46 -20.702 51.542 -9.199 1.00 0.00 H ATOM 437 N VAL A 47 -19.589 52.588 -5.513 1.00 64.74 N ATOM 438 CA VAL A 47 -18.493 52.089 -4.650 1.00 62.88 C ATOM 439 C VAL A 47 -19.011 51.738 -3.250 1.00 61.27 C ATOM 440 O VAL A 47 -19.937 52.368 -2.744 1.00 60.10 O ATOM 441 CB VAL A 47 -17.318 53.113 -4.482 1.00 61.93 C ATOM 442 CG1 VAL A 47 -16.811 53.558 -5.825 1.00 61.71 C ATOM 443 CG2 VAL A 47 -17.755 54.335 -3.628 1.00 62.02 C ATOM 444 H VAL A 47 -20.047 53.486 -5.258 1.00 0.00 H ATOM 445 N GLY A 48 -18.394 50.735 -2.636 1.00 60.76 N ATOM 446 CA GLY A 48 -18.848 50.205 -1.370 1.00 61.11 C ATOM 447 C GLY A 48 -17.827 50.451 -0.260 1.00 61.46 C ATOM 448 O GLY A 48 -16.608 50.417 -0.499 1.00 63.59 O ATOM 449 H GLY A 48 -17.553 50.316 -3.082 1.00 0.00 H ATOM 450 N GLY A 49 -18.312 50.682 0.947 1.00 60.33 N ATOM 451 CA GLY A 49 -17.437 50.990 2.062 1.00 60.84 C ATOM 452 C GLY A 49 -18.113 50.609 3.335 1.00 61.19 C ATOM 453 O GLY A 49 -19.078 49.846 3.298 1.00 60.64 O ATOM 454 H GLY A 49 -19.340 50.642 1.100 1.00 0.00 H ATOM 455 N ILE A 50 -17.596 51.140 4.458 1.00 62.94 N ATOM 456 CA ILE A 50 -18.268 51.095 5.778 1.00 64.13 C ATOM 457 C ILE A 50 -19.562 51.901 5.636 1.00 63.24 C ATOM 458 O ILE A 50 -19.553 53.023 5.123 1.00 63.61 O ATOM 459 CB ILE A 50 -17.381 51.709 6.952 1.00 66.52 C ATOM 460 CG1 ILE A 50 -16.609 50.621 7.713 1.00 69.42 C ATOM 461 CG2 ILE A 50 -18.233 52.387 8.022 1.00 67.11 C ATOM 462 CD1 ILE A 50 -15.504 49.974 6.957 1.00 71.68 C ATOM 463 H ILE A 50 -16.670 51.610 4.396 1.00 0.00 H ATOM 464 N GLY A 51 -20.685 51.350 6.052 1.00 63.65 N ATOM 465 CA GLY A 51 -21.943 52.092 5.917 1.00 63.05 C ATOM 466 C GLY A 51 -22.742 51.843 4.644 1.00 61.52 C ATOM 467 O GLY A 51 -23.877 52.290 4.544 1.00 62.44 O ATOM 468 H GLY A 51 -20.679 50.399 6.472 1.00 0.00 H ATOM 469 N GLY A 52 -22.172 51.145 3.665 1.00 59.84 N ATOM 470 CA GLY A 52 -22.930 50.690 2.515 1.00 58.87 C ATOM 471 C GLY A 52 -22.295 51.181 1.240 1.00 58.44 C ATOM 472 O GLY A 52 -21.068 51.133 1.098 1.00 57.89 O ATOM 473 H GLY A 52 -21.158 50.920 3.726 1.00 0.00 H ATOM 474 N PHE A 53 -23.120 51.707 0.341 1.00 58.08 N ATOM 475 CA PHE A 53 -22.663 52.040 -0.987 1.00 58.40 C ATOM 476 C PHE A 53 -22.961 53.490 -1.359 1.00 59.53 C ATOM 477 O PHE A 53 -23.844 54.131 -0.789 1.00 60.88 O ATOM 478 CB PHE A 53 -23.339 51.125 -2.018 1.00 59.86 C ATOM 479 CG PHE A 53 -24.825 51.370 -2.187 1.00 62.53 C ATOM 480 CD1 PHE A 53 -25.742 50.776 -1.330 1.00 64.35 C ATOM 481 CD2 PHE A 53 -25.303 52.166 -3.222 1.00 65.58 C ATOM 482 CE1 PHE A 53 -27.106 50.988 -1.492 1.00 67.14 C ATOM 483 CE2 PHE A 53 -26.664 52.374 -3.389 1.00 68.49 C ATOM 484 CZ PHE A 53 -27.563 51.787 -2.521 1.00 68.86 C ATOM 485 H PHE A 53 -24.112 51.882 0.599 1.00 0.00 H ATOM 486 N MET A 54 -22.236 53.971 -2.357 1.00 59.70 N ATOM 487 CA MET A 54 -22.331 55.356 -2.803 1.00 61.80 C ATOM 488 C MET A 54 -22.221 55.432 -4.313 1.00 62.90 C ATOM 489 O MET A 54 -21.309 54.861 -4.889 1.00 61.39 O ATOM 490 CB MET A 54 -21.173 56.146 -2.176 1.00 60.45 C ATOM 491 CG MET A 54 -21.035 57.564 -2.618 1.00 62.80 C ATOM 492 SD MET A 54 -19.585 58.290 -1.847 1.00 64.41 S ATOM 493 CE MET A 54 -18.298 57.817 -3.025 1.00 60.18 C ATOM 494 H MET A 54 -21.572 53.335 -2.843 1.00 0.00 H ATOM 495 N LYS A 55 -23.118 56.173 -4.945 1.00 67.06 N ATOM 496 CA LYS A 55 -23.046 56.400 -6.389 1.00 70.29 C ATOM 497 C LYS A 55 -21.945 57.430 -6.721 1.00 69.29 C ATOM 498 O LYS A 55 -21.854 58.477 -6.081 1.00 69.00 O ATOM 499 CB LYS A 55 -24.411 56.847 -6.940 1.00 74.41 C ATOM 500 CG LYS A 55 -25.534 55.854 -6.679 1.00 79.54 C ATOM 501 CD LYS A 55 -26.830 56.288 -7.373 1.00 88.12 C ATOM 502 CE LYS A 55 -27.942 55.254 -7.188 1.00 92.48 C ATOM 503 NZ LYS A 55 -29.093 55.494 -8.130 1.00 99.34 N ATOM 504 HZ1 LYS A 55 -29.492 56.438 -7.954 1.00 0.00 H ATOM 505 HZ2 LYS A 55 -28.754 55.437 -9.111 1.00 0.00 H ATOM 506 HZ3 LYS A 55 -29.825 54.772 -7.972 1.00 0.00 H ATOM 507 H LYS A 55 -23.893 56.604 -4.402 1.00 0.00 H ATOM 508 N VAL A 56 -21.110 57.092 -7.706 1.00 69.49 N ATOM 509 CA VAL A 56 -20.040 57.968 -8.219 1.00 69.16 C ATOM 510 C VAL A 56 -20.040 58.073 -9.777 1.00 72.78 C ATOM 511 O VAL A 56 -20.569 57.193 -10.483 1.00 74.64 O ATOM 512 CB VAL A 56 -18.646 57.462 -7.821 1.00 66.24 C ATOM 513 CG1 VAL A 56 -18.432 57.506 -6.264 1.00 63.60 C ATOM 514 CG2 VAL A 56 -18.417 56.066 -8.429 1.00 65.11 C ATOM 515 H VAL A 56 -21.221 56.153 -8.139 1.00 0.00 H ATOM 516 N ARG A 57 -19.423 59.147 -10.286 1.00 73.98 N ATOM 517 CA ARG A 57 -19.054 59.278 -11.701 1.00 77.13 C ATOM 518 C ARG A 57 -17.595 58.853 -11.907 1.00 73.94 C ATOM 519 O ARG A 57 -16.678 59.386 -11.241 1.00 71.76 O ATOM 520 CB ARG A 57 -19.238 60.722 -12.171 1.00 80.16 C ATOM 521 CG ARG A 57 -20.695 61.190 -12.207 1.00 89.14 C ATOM 522 CD ARG A 57 -20.824 62.700 -12.546 1.00 98.34 C ATOM 523 NE ARG A 57 -20.822 63.537 -11.331 1.00103.19 N ATOM 524 CZ ARG A 57 -19.876 64.415 -10.953 1.00106.25 C ATOM 525 NH1 ARG A 57 -18.789 64.654 -11.696 1.00106.52 N ATOM 526 NH2 ARG A 57 -20.028 65.085 -9.806 1.00107.82 N ATOM 527 HE ARG A 57 -21.641 63.437 -10.698 1.00 0.00 H ATOM 528 HH12 ARG A 57 -18.078 65.340 -11.372 1.00 0.00 H ATOM 529 HH11 ARG A 57 -18.655 64.154 -12.598 1.00 0.00 H ATOM 530 HH22 ARG A 57 -19.304 65.767 -9.502 1.00 0.00 H ATOM 531 HH21 ARG A 57 -20.870 64.924 -9.218 1.00 0.00 H ATOM 532 H ARG A 57 -19.192 59.932 -9.643 1.00 0.00 H ATOM 533 N GLN A 58 -17.390 57.856 -12.781 1.00 74.48 N ATOM 534 CA GLN A 58 -16.049 57.380 -13.099 1.00 73.58 C ATOM 535 C GLN A 58 -15.444 58.151 -14.273 1.00 75.16 C ATOM 536 O GLN A 58 -15.993 58.115 -15.394 1.00 77.67 O ATOM 537 CB GLN A 58 -16.056 55.888 -13.451 1.00 74.77 C ATOM 538 CG GLN A 58 -14.725 55.450 -14.061 1.00 76.76 C ATOM 539 CD GLN A 58 -14.592 53.950 -14.204 1.00 81.41 C ATOM 540 OE1 GLN A 58 -15.176 53.179 -13.433 1.00 86.18 O ATOM 541 NE2 GLN A 58 -13.788 53.518 -15.172 1.00 84.85 N ATOM 542 HE22 GLN A 58 -13.316 54.200 -15.799 1.00 0.00 H ATOM 543 HE21 GLN A 58 -13.632 52.498 -15.302 1.00 0.00 H ATOM 544 H GLN A 58 -18.208 57.411 -13.244 1.00 0.00 H ATOM 545 N TYR A 59 -14.310 58.818 -14.014 1.00 73.66 N ATOM 546 CA TYR A 59 -13.516 59.495 -15.063 1.00 74.88 C ATOM 547 C TYR A 59 -12.164 58.803 -15.206 1.00 74.06 C ATOM 548 O TYR A 59 -11.462 58.562 -14.206 1.00 71.14 O ATOM 549 CB TYR A 59 -13.267 60.967 -14.706 1.00 74.23 C ATOM 550 CG TYR A 59 -14.500 61.848 -14.649 1.00 77.49 C ATOM 551 CD1 TYR A 59 -15.244 61.975 -13.469 1.00 76.83 C ATOM 552 CD2 TYR A 59 -14.908 62.588 -15.775 1.00 81.14 C ATOM 553 CE1 TYR A 59 -16.371 62.788 -13.417 1.00 79.24 C ATOM 554 CE2 TYR A 59 -16.021 63.408 -15.725 1.00 83.70 C ATOM 555 CZ TYR A 59 -16.748 63.507 -14.551 1.00 83.59 C ATOM 556 OH TYR A 59 -17.851 64.320 -14.512 1.00 86.31 O ATOM 557 HH TYR A 59 -18.256 64.281 -13.610 1.00 0.00 H ATOM 558 H TYR A 59 -13.973 58.861 -13.031 1.00 0.00 H ATOM 559 N ASP A 60 -11.793 58.502 -16.448 1.00 76.25 N ATOM 560 CA ASP A 60 -10.532 57.815 -16.775 1.00 76.42 C ATOM 561 C ASP A 60 -9.467 58.778 -17.279 1.00 74.82 C ATOM 562 O ASP A 60 -9.772 59.904 -17.701 1.00 75.36 O ATOM 563 CB ASP A 60 -10.778 56.737 -17.849 1.00 80.34 C ATOM 564 CG ASP A 60 -11.682 55.608 -17.352 1.00 82.35 C ATOM 565 OD1 ASP A 60 -11.986 55.577 -16.133 1.00 82.32 O ATOM 566 OD2 ASP A 60 -12.080 54.751 -18.172 1.00 86.44 O ATOM 567 H ASP A 60 -12.427 58.766 -17.229 1.00 0.00 H ATOM 568 N GLN A 61 -8.215 58.328 -17.194 1.00 72.98 N ATOM 569 CA GLN A 61 -7.081 59.073 -17.744 1.00 72.30 C ATOM 570 C GLN A 61 -7.120 60.534 -17.268 1.00 70.13 C ATOM 571 O GLN A 61 -6.982 61.457 -18.065 1.00 71.16 O ATOM 572 CB GLN A 61 -7.078 58.973 -19.295 1.00 75.43 C ATOM 573 CG GLN A 61 -5.833 59.550 -20.060 1.00 76.01 C ATOM 574 CD GLN A 61 -4.654 58.578 -20.168 1.00 76.40 C ATOM 575 OE1 GLN A 61 -3.744 58.786 -20.966 1.00 76.21 O ATOM 576 NE2 GLN A 61 -4.673 57.519 -19.362 1.00 75.71 N ATOM 577 HE22 GLN A 61 -5.464 57.383 -18.701 1.00 0.00 H ATOM 578 HE21 GLN A 61 -3.896 56.828 -19.393 1.00 0.00 H ATOM 579 H GLN A 61 -8.038 57.418 -16.722 1.00 0.00 H ATOM 580 N ILE A 62 -7.302 60.742 -15.960 1.00 67.02 N ATOM 581 CA ILE A 62 -7.282 62.098 -15.355 1.00 64.32 C ATOM 582 C ILE A 62 -5.929 62.359 -14.737 1.00 61.51 C ATOM 583 O ILE A 62 -5.437 61.560 -13.911 1.00 60.21 O ATOM 584 CB ILE A 62 -8.382 62.313 -14.249 1.00 64.20 C ATOM 585 CG1 ILE A 62 -9.782 62.199 -14.839 1.00 66.56 C ATOM 586 CG2 ILE A 62 -8.247 63.678 -13.578 1.00 64.41 C ATOM 587 CD1 ILE A 62 -10.023 62.992 -16.182 1.00 69.19 C ATOM 588 H ILE A 62 -7.464 59.922 -15.342 1.00 0.00 H ATOM 589 N LEU A 63 -5.347 63.500 -15.117 1.00 63.46 N ATOM 590 CA LEU A 63 -4.083 63.959 -14.578 1.00 61.01 C ATOM 591 C LEU A 63 -4.280 64.520 -13.155 1.00 59.27 C ATOM 592 O LEU A 63 -5.102 65.422 -12.901 1.00 59.64 O ATOM 593 CB LEU A 63 -3.443 65.004 -15.502 1.00 60.92 C ATOM 594 CG LEU A 63 -2.165 65.681 -14.999 1.00 59.48 C ATOM 595 CD1 LEU A 63 -0.991 64.706 -14.904 1.00 57.40 C ATOM 596 CD2 LEU A 63 -1.807 66.872 -15.900 1.00 58.61 C ATOM 597 H LEU A 63 -5.823 64.086 -15.833 1.00 0.00 H ATOM 598 N VAL A 64 -3.502 63.966 -12.242 1.00 57.80 N ATOM 599 CA VAL A 64 -3.533 64.339 -10.835 1.00 56.58 C ATOM 600 C VAL A 64 -2.096 64.670 -10.452 1.00 56.50 C ATOM 601 O VAL A 64 -1.175 63.946 -10.813 1.00 56.34 O ATOM 602 CB VAL A 64 -4.126 63.189 -9.961 1.00 55.69 C ATOM 603 CG1 VAL A 64 -4.058 63.543 -8.468 1.00 53.19 C ATOM 604 CG2 VAL A 64 -5.551 62.878 -10.394 1.00 55.28 C ATOM 605 H VAL A 64 -2.835 63.227 -12.543 1.00 0.00 H ATOM 606 N GLU A 65 -1.893 65.791 -9.781 1.00 57.77 N ATOM 607 CA GLU A 65 -0.575 66.144 -9.263 1.00 60.15 C ATOM 608 C GLU A 65 -0.623 66.046 -7.750 1.00 61.05 C ATOM 609 O GLU A 65 -1.264 66.883 -7.126 1.00 59.79 O ATOM 610 CB GLU A 65 -0.188 67.559 -9.673 1.00 61.20 C ATOM 611 CG GLU A 65 0.160 67.678 -11.100 1.00 65.73 C ATOM 612 CD GLU A 65 0.608 69.089 -11.492 1.00 71.82 C ATOM 613 OE1 GLU A 65 1.397 69.711 -10.716 1.00 75.78 O ATOM 614 OE2 GLU A 65 0.169 69.551 -12.583 1.00 75.13 O ATOM 615 H GLU A 65 -2.692 66.437 -9.618 1.00 0.00 H ATOM 616 N ILE A 66 0.030 65.010 -7.192 1.00 63.21 N ATOM 617 CA ILE A 66 0.001 64.663 -5.748 1.00 64.78 C ATOM 618 C ILE A 66 1.391 65.013 -5.206 1.00 67.33 C ATOM 619 O ILE A 66 2.391 64.413 -5.642 1.00 67.93 O ATOM 620 CB ILE A 66 -0.236 63.135 -5.496 1.00 64.73 C ATOM 621 CG1 ILE A 66 -1.392 62.563 -6.322 1.00 64.86 C ATOM 622 CG2 ILE A 66 -0.451 62.826 -3.993 1.00 64.27 C ATOM 623 CD1 ILE A 66 -1.507 60.993 -6.197 1.00 65.06 C ATOM 624 H ILE A 66 0.598 64.406 -7.820 1.00 0.00 H ATOM 625 N CYS A 67 1.469 65.968 -4.272 1.00 69.76 N ATOM 626 CA CYS A 67 2.774 66.548 -3.831 1.00 72.28 C ATOM 627 C CYS A 67 3.680 66.943 -5.042 1.00 72.75 C ATOM 628 O CYS A 67 4.917 66.719 -5.039 1.00 74.44 O ATOM 629 CB CYS A 67 3.504 65.610 -2.828 1.00 73.57 C ATOM 630 SG CYS A 67 3.142 65.898 -1.013 1.00 78.36 S ATOM 631 H CYS A 67 0.591 66.319 -3.838 1.00 0.00 H ATOM 632 N GLY A 68 3.056 67.517 -6.079 1.00 71.51 N ATOM 633 CA GLY A 68 3.788 67.967 -7.276 1.00 72.10 C ATOM 634 C GLY A 68 4.122 66.909 -8.323 1.00 71.73 C ATOM 635 O GLY A 68 4.326 67.246 -9.503 1.00 72.93 O ATOM 636 H GLY A 68 2.025 67.649 -6.038 1.00 0.00 H ATOM 637 N HIS A 69 4.196 65.638 -7.903 1.00 70.73 N ATOM 638 CA HIS A 69 4.457 64.486 -8.776 1.00 70.49 C ATOM 639 C HIS A 69 3.207 64.176 -9.607 1.00 68.72 C ATOM 640 O HIS A 69 2.136 64.004 -9.029 1.00 68.20 O ATOM 641 CB HIS A 69 4.791 63.272 -7.886 1.00 71.11 C ATOM 642 CG HIS A 69 5.248 62.056 -8.633 1.00 72.87 C ATOM 643 ND1 HIS A 69 6.536 61.566 -8.532 1.00 75.68 N ATOM 644 CD2 HIS A 69 4.586 61.218 -9.470 1.00 73.11 C ATOM 645 CE1 HIS A 69 6.651 60.487 -9.285 1.00 76.38 C ATOM 646 NE2 HIS A 69 5.483 60.257 -9.869 1.00 74.51 N ATOM 647 H HIS A 69 4.059 65.455 -6.888 1.00 0.00 H ATOM 648 N LYS A 70 3.344 64.061 -10.929 1.00 67.25 N ATOM 649 CA LYS A 70 2.211 63.837 -11.835 1.00 64.92 C ATOM 650 C LYS A 70 1.912 62.353 -12.037 1.00 63.11 C ATOM 651 O LYS A 70 2.811 61.527 -12.221 1.00 63.98 O ATOM 652 CB LYS A 70 2.477 64.535 -13.179 1.00 65.86 C ATOM 653 CG LYS A 70 2.506 66.048 -13.081 1.00 66.71 C ATOM 654 CD LYS A 70 3.328 66.677 -14.195 1.00 70.61 C ATOM 655 CE LYS A 70 3.081 68.180 -14.308 1.00 72.17 C ATOM 656 NZ LYS A 70 3.804 68.949 -13.278 1.00 73.55 N ATOM 657 HZ1 LYS A 70 3.491 68.642 -12.335 1.00 0.00 H ATOM 658 HZ2 LYS A 70 4.826 68.783 -13.377 1.00 0.00 H ATOM 659 HZ3 LYS A 70 3.603 69.962 -13.399 1.00 0.00 H ATOM 660 H LYS A 70 4.298 64.133 -11.337 1.00 0.00 H ATOM 661 N VAL A 71 0.632 62.025 -11.943 1.00 60.51 N ATOM 662 CA VAL A 71 0.121 60.683 -12.186 1.00 59.05 C ATOM 663 C VAL A 71 -1.167 60.820 -13.001 1.00 58.78 C ATOM 664 O VAL A 71 -1.814 61.872 -13.001 1.00 57.47 O ATOM 665 CB VAL A 71 -0.100 59.839 -10.859 1.00 58.42 C ATOM 666 CG1 VAL A 71 1.192 59.775 -10.041 1.00 57.73 C ATOM 667 CG2 VAL A 71 -1.280 60.355 -10.017 1.00 55.19 C ATOM 668 H VAL A 71 -0.047 62.768 -11.681 1.00 0.00 H ATOM 669 N ILE A 72 -1.491 59.767 -13.739 1.00 59.86 N ATOM 670 CA ILE A 72 -2.689 59.695 -14.563 1.00 60.91 C ATOM 671 C ILE A 72 -3.419 58.394 -14.193 1.00 61.41 C ATOM 672 O ILE A 72 -2.810 57.333 -14.042 1.00 62.15 O ATOM 673 CB ILE A 72 -2.370 59.738 -16.116 1.00 62.32 C ATOM 674 CG1 ILE A 72 -2.019 61.158 -16.573 1.00 63.38 C ATOM 675 CG2 ILE A 72 -3.545 59.233 -16.919 1.00 62.66 C ATOM 676 CD1 ILE A 72 -1.742 61.278 -18.095 1.00 66.28 C ATOM 677 H ILE A 72 -0.853 58.946 -13.729 1.00 0.00 H ATOM 678 N GLY A 73 -4.724 58.483 -14.022 1.00 61.71 N ATOM 679 CA GLY A 73 -5.513 57.308 -13.727 1.00 62.06 C ATOM 680 C GLY A 73 -6.982 57.612 -13.586 1.00 62.09 C ATOM 681 O GLY A 73 -7.439 58.720 -13.855 1.00 60.67 O ATOM 682 H GLY A 73 -5.191 59.409 -14.100 1.00 0.00 H ATOM 683 N THR A 74 -7.725 56.602 -13.143 1.00 62.91 N ATOM 684 CA THR A 74 -9.159 56.759 -12.913 1.00 63.46 C ATOM 685 C THR A 74 -9.421 57.491 -11.572 1.00 62.05 C ATOM 686 O THR A 74 -8.814 57.170 -10.537 1.00 59.85 O ATOM 687 CB THR A 74 -9.847 55.388 -12.973 1.00 64.83 C ATOM 688 OG1 THR A 74 -9.678 54.867 -14.290 1.00 66.22 O ATOM 689 CG2 THR A 74 -11.347 55.471 -12.609 1.00 65.56 C ATOM 690 HG1 THR A 74 -10.090 55.486 -14.944 1.00 0.00 H ATOM 691 H THR A 74 -7.276 55.682 -12.957 1.00 0.00 H ATOM 692 N VAL A 75 -10.299 58.492 -11.648 1.00 62.09 N ATOM 693 CA VAL A 75 -10.781 59.254 -10.506 1.00 61.92 C ATOM 694 C VAL A 75 -12.318 59.094 -10.444 1.00 63.36 C ATOM 695 O VAL A 75 -13.019 59.334 -11.429 1.00 64.00 O ATOM 696 CB VAL A 75 -10.404 60.763 -10.619 1.00 61.51 C ATOM 697 CG1 VAL A 75 -11.068 61.565 -9.511 1.00 62.29 C ATOM 698 CG2 VAL A 75 -8.867 60.961 -10.569 1.00 60.69 C ATOM 699 H VAL A 75 -10.664 58.745 -12.588 1.00 0.00 H ATOM 700 N LEU A 76 -12.836 58.671 -9.295 1.00 62.93 N ATOM 701 CA LEU A 76 -14.292 58.626 -9.057 1.00 64.82 C ATOM 702 C LEU A 76 -14.713 59.873 -8.251 1.00 65.32 C ATOM 703 O LEU A 76 -14.023 60.279 -7.311 1.00 64.27 O ATOM 704 CB LEU A 76 -14.696 57.316 -8.351 1.00 64.69 C ATOM 705 CG LEU A 76 -14.086 55.997 -8.879 1.00 63.93 C ATOM 706 CD1 LEU A 76 -14.335 54.808 -7.891 1.00 61.70 C ATOM 707 CD2 LEU A 76 -14.604 55.673 -10.313 1.00 64.90 C ATOM 708 H LEU A 76 -12.193 58.361 -8.538 1.00 0.00 H ATOM 709 N VAL A 77 -15.817 60.498 -8.640 1.00 67.78 N ATOM 710 CA VAL A 77 -16.250 61.761 -8.039 1.00 69.17 C ATOM 711 C VAL A 77 -17.626 61.521 -7.422 1.00 71.77 C ATOM 712 O VAL A 77 -18.472 60.877 -8.032 1.00 73.83 O ATOM 713 CB VAL A 77 -16.281 62.923 -9.119 1.00 70.12 C ATOM 714 CG1 VAL A 77 -16.686 64.253 -8.491 1.00 71.11 C ATOM 715 CG2 VAL A 77 -14.922 63.051 -9.811 1.00 67.57 C ATOM 716 H VAL A 77 -16.393 60.077 -9.396 1.00 0.00 H ATOM 717 N GLY A 78 -17.850 62.015 -6.211 1.00 73.27 N ATOM 718 CA GLY A 78 -19.150 61.859 -5.573 1.00 76.27 C ATOM 719 C GLY A 78 -19.148 62.233 -4.112 1.00 77.38 C ATOM 720 O GLY A 78 -18.101 62.611 -3.571 1.00 76.53 O ATOM 721 H GLY A 78 -17.089 62.519 -5.712 1.00 0.00 H ATOM 722 N PRO A 79 -20.312 62.086 -3.442 1.00 80.43 N ATOM 723 CA PRO A 79 -20.536 62.587 -2.078 1.00 80.86 C ATOM 724 C PRO A 79 -19.709 61.894 -0.981 1.00 78.64 C ATOM 725 O PRO A 79 -20.250 61.532 0.070 1.00 79.92 O ATOM 726 CB PRO A 79 -22.037 62.369 -1.870 1.00 83.99 C ATOM 727 CG PRO A 79 -22.394 61.268 -2.786 1.00 84.86 C ATOM 728 CD PRO A 79 -21.513 61.414 -3.980 1.00 82.83 C ATOM 729 N THR A 80 -18.404 61.743 -1.229 1.00 75.34 N ATOM 730 CA THR A 80 -17.482 61.171 -0.272 1.00 72.77 C ATOM 731 C THR A 80 -17.283 62.196 0.849 1.00 73.21 C ATOM 732 O THR A 80 -17.293 63.399 0.589 1.00 74.17 O ATOM 733 CB THR A 80 -16.110 60.771 -0.940 1.00 70.56 C ATOM 734 OG1 THR A 80 -15.254 60.185 0.046 1.00 67.60 O ATOM 735 CG2 THR A 80 -15.393 61.969 -1.580 1.00 67.33 C ATOM 736 HG1 THR A 80 -14.393 59.934 -0.373 1.00 0.00 H ATOM 737 H THR A 80 -18.035 62.051 -2.151 1.00 0.00 H ATOM 738 N PRO A 81 -17.158 61.732 2.101 1.00 73.06 N ATOM 739 CA PRO A 81 -16.805 62.583 3.260 1.00 73.04 C ATOM 740 C PRO A 81 -15.303 62.966 3.400 1.00 70.60 C ATOM 741 O PRO A 81 -14.942 63.741 4.290 1.00 71.26 O ATOM 742 CB PRO A 81 -17.255 61.739 4.452 1.00 74.14 C ATOM 743 CG PRO A 81 -17.202 60.335 3.956 1.00 73.93 C ATOM 744 CD PRO A 81 -17.544 60.370 2.516 1.00 73.70 C ATOM 745 N ALA A 82 -14.446 62.412 2.536 1.00 67.70 N ATOM 746 CA ALA A 82 -13.043 62.817 2.440 1.00 65.32 C ATOM 747 C ALA A 82 -12.539 62.551 1.026 1.00 62.70 C ATOM 748 O ALA A 82 -12.912 61.564 0.379 1.00 62.72 O ATOM 749 CB ALA A 82 -12.154 62.077 3.516 1.00 64.81 C ATOM 750 H ALA A 82 -14.791 61.661 1.905 1.00 0.00 H ATOM 751 N ASN A 83 -11.713 63.445 0.508 1.00 61.12 N ATOM 752 CA ASN A 83 -10.965 63.110 -0.710 1.00 58.71 C ATOM 753 C ASN A 83 -9.970 61.972 -0.341 1.00 56.34 C ATOM 754 O ASN A 83 -9.241 62.079 0.662 1.00 55.89 O ATOM 755 CB ASN A 83 -10.237 64.341 -1.265 1.00 58.45 C ATOM 756 CG ASN A 83 -11.203 65.459 -1.711 1.00 61.18 C ATOM 757 OD1 ASN A 83 -12.213 65.209 -2.380 1.00 61.20 O ATOM 758 ND2 ASN A 83 -10.875 66.696 -1.349 1.00 60.33 N ATOM 759 HD22 ASN A 83 -10.017 66.863 -0.786 1.00 0.00 H ATOM 760 HD21 ASN A 83 -11.477 67.497 -1.629 1.00 0.00 H ATOM 761 H ASN A 83 -11.595 64.375 0.959 1.00 0.00 H ATOM 762 N ILE A 84 -9.998 60.881 -1.108 1.00 54.36 N ATOM 763 CA ILE A 84 -9.166 59.707 -0.865 1.00 53.79 C ATOM 764 C ILE A 84 -8.275 59.463 -2.092 1.00 51.61 C ATOM 765 O ILE A 84 -8.764 59.396 -3.189 1.00 51.13 O ATOM 766 CB ILE A 84 -10.038 58.424 -0.701 1.00 54.71 C ATOM 767 CG1 ILE A 84 -11.010 58.517 0.465 1.00 56.94 C ATOM 768 CG2 ILE A 84 -9.165 57.193 -0.559 1.00 55.57 C ATOM 769 CD1 ILE A 84 -12.181 57.521 0.278 1.00 59.43 C ATOM 770 H ILE A 84 -10.646 60.866 -1.921 1.00 0.00 H ATOM 771 N ILE A 85 -6.974 59.289 -1.887 1.00 49.99 N ATOM 772 CA ILE A 85 -6.075 58.801 -2.940 1.00 48.74 C ATOM 773 C ILE A 85 -5.867 57.309 -2.676 1.00 48.42 C ATOM 774 O ILE A 85 -5.237 56.949 -1.698 1.00 47.97 O ATOM 775 CB ILE A 85 -4.720 59.541 -2.923 1.00 48.41 C ATOM 776 CG1 ILE A 85 -4.949 61.050 -2.962 1.00 48.31 C ATOM 777 CG2 ILE A 85 -3.799 59.014 -4.072 1.00 46.65 C ATOM 778 CD1 ILE A 85 -5.647 61.553 -4.231 1.00 48.95 C ATOM 779 H ILE A 85 -6.579 59.506 -0.950 1.00 0.00 H ATOM 780 N GLY A 86 -6.439 56.468 -3.536 1.00 49.36 N ATOM 781 CA GLY A 86 -6.372 55.022 -3.420 1.00 49.31 C ATOM 782 C GLY A 86 -5.190 54.407 -4.140 1.00 49.68 C ATOM 783 O GLY A 86 -4.372 55.105 -4.759 1.00 49.95 O ATOM 784 H GLY A 86 -6.965 56.871 -4.338 1.00 0.00 H ATOM 785 N ARG A 87 -5.100 53.083 -4.063 1.00 50.07 N ATOM 786 CA ARG A 87 -3.897 52.362 -4.526 1.00 50.78 C ATOM 787 C ARG A 87 -3.609 52.496 -6.036 1.00 51.69 C ATOM 788 O ARG A 87 -2.439 52.421 -6.440 1.00 52.43 O ATOM 789 CB ARG A 87 -3.945 50.889 -4.138 1.00 50.82 C ATOM 790 CG ARG A 87 -3.820 50.667 -2.641 1.00 48.61 C ATOM 791 CD ARG A 87 -3.857 49.167 -2.236 1.00 48.58 C ATOM 792 NE ARG A 87 -5.050 48.466 -2.740 1.00 49.11 N ATOM 793 CZ ARG A 87 -5.112 47.759 -3.868 1.00 51.31 C ATOM 794 NH1 ARG A 87 -6.249 47.206 -4.229 1.00 54.48 N ATOM 795 NH2 ARG A 87 -4.051 47.568 -4.638 1.00 52.12 N ATOM 796 HE ARG A 87 -5.916 48.528 -2.168 1.00 0.00 H ATOM 797 HH12 ARG A 87 -6.302 46.653 -5.108 1.00 0.00 H ATOM 798 HH11 ARG A 87 -7.095 47.321 -3.635 1.00 0.00 H ATOM 799 HH22 ARG A 87 -4.136 47.010 -5.512 1.00 0.00 H ATOM 800 HH21 ARG A 87 -3.133 47.976 -4.369 1.00 0.00 H ATOM 801 H ARG A 87 -5.895 52.542 -3.667 1.00 0.00 H ATOM 802 N ASN A 88 -4.645 52.696 -6.845 1.00 52.16 N ATOM 803 CA ASN A 88 -4.455 52.992 -8.281 1.00 53.42 C ATOM 804 C ASN A 88 -3.526 54.200 -8.559 1.00 53.18 C ATOM 805 O ASN A 88 -2.779 54.206 -9.530 1.00 54.80 O ATOM 806 CB ASN A 88 -5.822 53.150 -9.000 1.00 54.42 C ATOM 807 CG ASN A 88 -6.496 54.507 -8.761 1.00 54.11 C ATOM 808 OD1 ASN A 88 -6.786 54.867 -7.644 1.00 54.21 O ATOM 809 ND2 ASN A 88 -6.759 55.246 -9.835 1.00 54.11 N ATOM 810 HD22 ASN A 88 -6.494 54.902 -10.780 1.00 0.00 H ATOM 811 HD21 ASN A 88 -7.230 56.167 -9.730 1.00 0.00 H ATOM 812 H ASN A 88 -5.609 52.643 -6.459 1.00 0.00 H ATOM 813 N LEU A 89 -3.549 55.212 -7.688 1.00 52.79 N ATOM 814 CA LEU A 89 -2.674 56.371 -7.848 1.00 52.28 C ATOM 815 C LEU A 89 -1.431 56.249 -6.958 1.00 51.95 C ATOM 816 O LEU A 89 -0.360 56.725 -7.349 1.00 53.15 O ATOM 817 CB LEU A 89 -3.432 57.693 -7.595 1.00 52.06 C ATOM 818 CG LEU A 89 -4.543 58.069 -8.590 1.00 53.74 C ATOM 819 CD1 LEU A 89 -4.989 59.528 -8.353 1.00 53.85 C ATOM 820 CD2 LEU A 89 -4.126 57.850 -10.081 1.00 52.77 C ATOM 821 H LEU A 89 -4.203 55.174 -6.880 1.00 0.00 H ATOM 822 N LEU A 90 -1.564 55.581 -5.805 1.00 50.14 N ATOM 823 CA LEU A 90 -0.463 55.455 -4.846 1.00 50.05 C ATOM 824 C LEU A 90 0.701 54.653 -5.482 1.00 51.26 C ATOM 825 O LEU A 90 1.864 55.006 -5.296 1.00 50.98 O ATOM 826 CB LEU A 90 -0.926 54.825 -3.505 1.00 48.43 C ATOM 827 CG LEU A 90 -1.867 55.595 -2.547 1.00 46.30 C ATOM 828 CD1 LEU A 90 -2.362 54.687 -1.421 1.00 44.11 C ATOM 829 CD2 LEU A 90 -1.168 56.832 -1.989 1.00 44.82 C ATOM 830 H LEU A 90 -2.478 55.137 -5.583 1.00 0.00 H ATOM 831 N THR A 91 0.391 53.612 -6.256 1.00 52.52 N ATOM 832 CA THR A 91 1.444 52.832 -6.918 1.00 54.94 C ATOM 833 C THR A 91 2.298 53.668 -7.884 1.00 57.34 C ATOM 834 O THR A 91 3.493 53.387 -8.032 1.00 58.85 O ATOM 835 CB THR A 91 0.886 51.609 -7.686 1.00 56.30 C ATOM 836 OG1 THR A 91 -0.101 52.033 -8.638 1.00 54.90 O ATOM 837 CG2 THR A 91 0.294 50.597 -6.702 1.00 54.95 C ATOM 838 HG1 THR A 91 -0.843 52.485 -8.163 1.00 0.00 H ATOM 839 H THR A 91 -0.606 53.350 -6.392 1.00 0.00 H ATOM 840 N GLN A 92 1.692 54.690 -8.510 1.00 58.21 N ATOM 841 CA GLN A 92 2.396 55.630 -9.410 1.00 60.21 C ATOM 842 C GLN A 92 3.283 56.671 -8.750 1.00 60.59 C ATOM 843 O GLN A 92 4.138 57.263 -9.408 1.00 62.09 O ATOM 844 CB GLN A 92 1.399 56.350 -10.315 1.00 60.57 C ATOM 845 CG GLN A 92 0.744 55.410 -11.280 1.00 63.84 C ATOM 846 CD GLN A 92 -0.221 56.134 -12.165 1.00 68.41 C ATOM 847 OE1 GLN A 92 0.175 56.942 -13.048 1.00 72.35 O ATOM 848 NE2 GLN A 92 -1.508 55.875 -11.942 1.00 70.43 N ATOM 849 HE22 GLN A 92 -1.782 55.199 -11.200 1.00 0.00 H ATOM 850 HE21 GLN A 92 -2.240 56.349 -12.509 1.00 0.00 H ATOM 851 H GLN A 92 0.673 54.828 -8.354 1.00 0.00 H ATOM 852 N ILE A 93 3.065 56.942 -7.468 1.00 60.17 N ATOM 853 CA ILE A 93 3.976 57.808 -6.756 1.00 61.38 C ATOM 854 C ILE A 93 4.989 56.997 -5.938 1.00 62.47 C ATOM 855 O ILE A 93 5.633 57.541 -5.026 1.00 64.28 O ATOM 856 CB ILE A 93 3.227 58.888 -5.920 1.00 60.39 C ATOM 857 CG1 ILE A 93 2.405 58.282 -4.769 1.00 58.82 C ATOM 858 CG2 ILE A 93 2.336 59.733 -6.848 1.00 61.24 C ATOM 859 CD1 ILE A 93 1.757 59.314 -3.868 1.00 56.94 C ATOM 860 H ILE A 93 2.243 56.533 -6.980 1.00 0.00 H ATOM 861 N GLY A 94 5.128 55.703 -6.253 1.00 62.86 N ATOM 862 CA GLY A 94 6.055 54.829 -5.543 1.00 63.50 C ATOM 863 C GLY A 94 5.768 54.691 -4.048 1.00 62.75 C ATOM 864 O GLY A 94 6.693 54.516 -3.250 1.00 63.80 O ATOM 865 H GLY A 94 4.557 55.309 -7.028 1.00 0.00 H ATOM 866 N CYS A 95 4.491 54.756 -3.664 1.00 61.00 N ATOM 867 CA CYS A 95 4.111 54.701 -2.244 1.00 59.98 C ATOM 868 C CYS A 95 4.290 53.298 -1.660 1.00 59.71 C ATOM 869 O CYS A 95 3.820 52.314 -2.245 1.00 59.06 O ATOM 870 CB CYS A 95 2.660 55.157 -2.044 1.00 58.21 C ATOM 871 SG CYS A 95 2.273 55.488 -0.309 1.00 60.11 S ATOM 872 H CYS A 95 3.748 54.848 -4.386 1.00 0.00 H ATOM 873 N THR A 96 4.988 53.226 -0.519 1.00 59.36 N ATOM 874 CA THR A 96 5.143 51.993 0.256 1.00 59.53 C ATOM 875 C THR A 96 4.757 52.220 1.743 1.00 58.57 C ATOM 876 O THR A 96 4.909 53.314 2.288 1.00 57.69 O ATOM 877 CB THR A 96 6.607 51.411 0.201 1.00 61.25 C ATOM 878 OG1 THR A 96 7.506 52.286 0.896 1.00 62.15 O ATOM 879 CG2 THR A 96 7.097 51.176 -1.237 1.00 61.73 C ATOM 880 HG1 THR A 96 7.221 52.367 1.841 1.00 0.00 H ATOM 881 H THR A 96 5.444 54.091 -0.165 1.00 0.00 H ATOM 882 N LEU A 97 4.246 51.175 2.374 1.00 58.97 N ATOM 883 CA LEU A 97 4.064 51.147 3.833 1.00 59.57 C ATOM 884 C LEU A 97 5.309 50.505 4.435 1.00 62.18 C ATOM 885 O LEU A 97 5.766 49.466 3.950 1.00 63.05 O ATOM 886 CB LEU A 97 2.855 50.304 4.214 1.00 58.92 C ATOM 887 CG LEU A 97 1.476 50.934 4.204 1.00 57.28 C ATOM 888 CD1 LEU A 97 0.395 49.848 4.155 1.00 54.97 C ATOM 889 CD2 LEU A 97 1.332 51.797 5.415 1.00 56.88 C ATOM 890 H LEU A 97 3.963 50.343 1.818 1.00 0.00 H ATOM 891 N ASN A 98 5.870 51.134 5.461 1.00 64.26 N ATOM 892 CA ASN A 98 7.025 50.590 6.166 1.00 67.34 C ATOM 893 C ASN A 98 6.712 50.459 7.658 1.00 68.26 C ATOM 894 O ASN A 98 6.304 51.418 8.300 1.00 66.54 O ATOM 895 CB ASN A 98 8.258 51.486 6.002 1.00 69.33 C ATOM 896 CG ASN A 98 8.831 51.487 4.583 1.00 71.06 C ATOM 897 OD1 ASN A 98 8.104 51.614 3.607 1.00 73.88 O ATOM 898 ND2 ASN A 98 10.149 51.404 4.481 1.00 76.44 N ATOM 899 HD22 ASN A 98 10.731 51.297 5.336 1.00 0.00 H ATOM 900 HD21 ASN A 98 10.602 51.446 3.546 1.00 0.00 H ATOM 901 H ASN A 98 5.473 52.044 5.772 1.00 0.00 H ATOM 902 N PHE A 99 6.956 49.270 8.204 1.00 71.01 N ATOM 903 CA PHE A 99 6.572 48.944 9.569 1.00 72.39 C ATOM 904 C PHE A 99 7.424 47.776 10.082 1.00 75.55 C ATOM 905 O PHE A 99 8.234 47.197 9.328 1.00 77.18 O ATOM 906 CB PHE A 99 5.070 48.604 9.630 1.00 71.14 C ATOM 907 CG PHE A 99 4.675 47.408 8.792 1.00 72.25 C ATOM 908 CD1 PHE A 99 4.453 47.541 7.429 1.00 73.40 C ATOM 909 CD2 PHE A 99 4.532 46.142 9.379 1.00 75.38 C ATOM 910 CE1 PHE A 99 4.100 46.428 6.649 1.00 74.92 C ATOM 911 CE2 PHE A 99 4.176 45.030 8.621 1.00 76.33 C ATOM 912 CZ PHE A 99 3.958 45.171 7.251 1.00 76.59 C ATOM 913 OXT PHE A 99 7.345 47.381 11.269 1.00 77.41 O ATOM 914 H PHE A 99 7.439 48.547 7.634 1.00 0.00 H TER 915 PHE A 99 ATOM 916 N PRO B 1 9.018 45.048 7.594 1.00 79.75 N ATOM 917 CA PRO B 1 8.894 44.875 6.142 1.00 79.01 C ATOM 918 C PRO B 1 8.509 46.162 5.399 1.00 76.19 C ATOM 919 O PRO B 1 7.951 47.086 5.976 1.00 73.88 O ATOM 920 CB PRO B 1 7.788 43.811 5.997 1.00 78.61 C ATOM 921 CG PRO B 1 7.755 43.084 7.353 1.00 80.32 C ATOM 922 CD PRO B 1 8.126 44.148 8.358 1.00 79.76 C ATOM 923 HN2 PRO B 1 8.781 46.032 7.833 1.00 0.00 H ATOM 924 HN1 PRO B 1 10.002 44.853 7.869 1.00 0.00 H ATOM 925 N GLN B 2 8.840 46.221 4.120 1.00 75.63 N ATOM 926 CA GLN B 2 8.377 47.307 3.273 1.00 73.47 C ATOM 927 C GLN B 2 7.386 46.698 2.278 1.00 71.10 C ATOM 928 O GLN B 2 7.703 45.695 1.652 1.00 73.07 O ATOM 929 CB GLN B 2 9.567 47.976 2.568 1.00 75.17 C ATOM 930 CG GLN B 2 9.171 49.058 1.561 1.00 75.57 C ATOM 931 CD GLN B 2 10.364 49.843 0.996 1.00 79.99 C ATOM 932 OE1 GLN B 2 10.386 51.076 1.047 1.00 81.56 O ATOM 933 NE2 GLN B 2 11.350 49.131 0.458 1.00 82.66 N ATOM 934 HE22 GLN B 2 11.290 48.093 0.436 1.00 0.00 H ATOM 935 HE21 GLN B 2 12.181 49.612 0.059 1.00 0.00 H ATOM 936 H GLN B 2 9.442 45.477 3.713 1.00 0.00 H ATOM 937 N ILE B 3 6.186 47.272 2.129 1.00 67.41 N ATOM 938 CA ILE B 3 5.193 46.658 1.244 1.00 65.32 C ATOM 939 C ILE B 3 4.737 47.647 0.177 1.00 62.88 C ATOM 940 O ILE B 3 4.439 48.813 0.469 1.00 60.94 O ATOM 941 CB ILE B 3 3.993 45.962 2.009 1.00 64.89 C ATOM 942 CG1 ILE B 3 2.995 46.953 2.604 1.00 64.03 C ATOM 943 CG2 ILE B 3 4.526 45.043 3.155 1.00 66.51 C ATOM 944 CD1 ILE B 3 1.750 46.278 3.191 1.00 64.92 C ATOM 945 H ILE B 3 5.960 48.150 2.639 1.00 0.00 H ATOM 946 N THR B 4 4.713 47.178 -1.070 1.00 62.04 N ATOM 947 CA THR B 4 4.172 47.981 -2.169 1.00 60.47 C ATOM 948 C THR B 4 2.646 47.814 -2.190 1.00 58.18 C ATOM 949 O THR B 4 2.083 46.978 -1.468 1.00 57.08 O ATOM 950 CB THR B 4 4.824 47.635 -3.538 1.00 62.28 C ATOM 951 OG1 THR B 4 4.564 46.268 -3.866 1.00 64.56 O ATOM 952 CG2 THR B 4 6.339 47.891 -3.495 1.00 63.87 C ATOM 953 HG1 THR B 4 3.586 46.124 -3.922 1.00 0.00 H ATOM 954 H THR B 4 5.084 46.227 -1.266 1.00 0.00 H ATOM 955 N LEU B 5 1.978 48.617 -3.023 1.00 56.24 N ATOM 956 CA LEU B 5 0.533 48.752 -2.939 1.00 54.68 C ATOM 957 C LEU B 5 -0.170 48.284 -4.215 1.00 55.35 C ATOM 958 O LEU B 5 -1.326 48.640 -4.422 1.00 54.68 O ATOM 959 CB LEU B 5 0.149 50.197 -2.554 1.00 53.27 C ATOM 960 CG LEU B 5 0.528 50.629 -1.120 1.00 51.96 C ATOM 961 CD1 LEU B 5 0.374 52.130 -0.961 1.00 50.13 C ATOM 962 CD2 LEU B 5 -0.302 49.866 -0.073 1.00 51.32 C ATOM 963 H LEU B 5 2.501 49.155 -3.744 1.00 0.00 H ATOM 964 N TRP B 6 0.515 47.465 -5.034 1.00 56.64 N ATOM 965 CA TRP B 6 -0.120 46.806 -6.202 1.00 58.35 C ATOM 966 C TRP B 6 -1.213 45.822 -5.774 1.00 58.47 C ATOM 967 O TRP B 6 -2.175 45.617 -6.503 1.00 59.73 O ATOM 968 CB TRP B 6 0.914 46.095 -7.107 1.00 60.55 C ATOM 969 CG TRP B 6 1.907 47.024 -7.640 1.00 62.50 C ATOM 970 CD1 TRP B 6 3.141 47.287 -7.125 1.00 64.13 C ATOM 971 CD2 TRP B 6 1.739 47.884 -8.758 1.00 66.39 C ATOM 972 NE1 TRP B 6 3.763 48.253 -7.862 1.00 66.65 N ATOM 973 CE2 TRP B 6 2.928 48.640 -8.879 1.00 66.76 C ATOM 974 CE3 TRP B 6 0.713 48.069 -9.697 1.00 69.20 C ATOM 975 CZ2 TRP B 6 3.122 49.578 -9.899 1.00 70.43 C ATOM 976 CZ3 TRP B 6 0.898 49.014 -10.711 1.00 70.71 C ATOM 977 CH2 TRP B 6 2.099 49.759 -10.800 1.00 70.80 C ATOM 978 HE1 TRP B 6 4.714 48.633 -7.682 1.00 0.00 H ATOM 979 H TRP B 6 1.522 47.288 -4.842 1.00 0.00 H ATOM 980 N GLN B 7 -1.084 45.216 -4.598 1.00 57.53 N ATOM 981 CA GLN B 7 -2.175 44.419 -4.057 1.00 58.23 C ATOM 982 C GLN B 7 -2.598 45.045 -2.744 1.00 55.90 C ATOM 983 O GLN B 7 -1.880 45.902 -2.190 1.00 54.34 O ATOM 984 CB GLN B 7 -1.745 42.963 -3.859 1.00 60.42 C ATOM 985 CG GLN B 7 -1.293 42.265 -5.170 1.00 63.89 C ATOM 986 CD GLN B 7 -0.662 40.882 -4.925 1.00 67.39 C ATOM 987 OE1 GLN B 7 0.211 40.720 -4.071 1.00 66.64 O ATOM 988 NE2 GLN B 7 -1.105 39.896 -5.693 1.00 69.63 N ATOM 989 HE22 GLN B 7 -1.844 40.080 -6.401 1.00 0.00 H ATOM 990 HE21 GLN B 7 -0.713 38.938 -5.587 1.00 0.00 H ATOM 991 H GLN B 7 -0.198 45.312 -4.061 1.00 0.00 H ATOM 992 N ARG B 8 -3.755 44.626 -2.246 1.00 55.58 N ATOM 993 CA ARG B 8 -4.266 45.124 -0.964 1.00 54.86 C ATOM 994 C ARG B 8 -3.279 44.734 0.130 1.00 53.28 C ATOM 995 O ARG B 8 -2.806 43.598 0.105 1.00 53.91 O ATOM 996 CB ARG B 8 -5.604 44.491 -0.664 1.00 56.68 C ATOM 997 CG ARG B 8 -6.722 44.887 -1.604 1.00 60.31 C ATOM 998 CD ARG B 8 -7.988 44.198 -1.140 1.00 67.55 C ATOM 999 NE ARG B 8 -9.122 44.454 -2.007 1.00 75.17 N ATOM 1000 CZ ARG B 8 -10.307 43.850 -1.909 1.00 82.63 C ATOM 1001 NH1 ARG B 8 -11.271 44.160 -2.791 1.00 86.41 N ATOM 1002 NH2 ARG B 8 -10.537 42.946 -0.940 1.00 84.45 N ATOM 1003 HE ARG B 8 -9.002 45.161 -2.761 1.00 0.00 H ATOM 1004 HH12 ARG B 8 -12.201 43.698 -2.729 1.00 0.00 H ATOM 1005 HH11 ARG B 8 -11.088 44.862 -3.536 1.00 0.00 H ATOM 1006 HH22 ARG B 8 -11.465 42.481 -0.872 1.00 0.00 H ATOM 1007 HH21 ARG B 8 -9.787 42.712 -0.258 1.00 0.00 H ATOM 1008 H ARG B 8 -4.313 43.928 -2.778 1.00 0.00 H ATOM 1009 N PRO B 9 -2.947 45.669 1.059 1.00 51.16 N ATOM 1010 CA PRO B 9 -1.964 45.450 2.156 1.00 50.72 C ATOM 1011 C PRO B 9 -2.515 44.689 3.393 1.00 50.86 C ATOM 1012 O PRO B 9 -2.627 45.248 4.504 1.00 49.32 O ATOM 1013 CB PRO B 9 -1.521 46.874 2.518 1.00 49.38 C ATOM 1014 CG PRO B 9 -2.719 47.704 2.248 1.00 48.45 C ATOM 1015 CD PRO B 9 -3.381 47.080 1.014 1.00 49.91 C ATOM 1016 N PHE B 10 -2.854 43.422 3.158 1.00 54.38 N ATOM 1017 CA PHE B 10 -3.319 42.512 4.194 1.00 54.52 C ATOM 1018 C PHE B 10 -2.167 41.987 5.015 1.00 54.13 C ATOM 1019 O PHE B 10 -1.109 41.682 4.469 1.00 55.39 O ATOM 1020 CB PHE B 10 -4.066 41.337 3.563 1.00 55.77 C ATOM 1021 CG PHE B 10 -5.487 41.646 3.225 1.00 57.28 C ATOM 1022 CD1 PHE B 10 -6.421 41.820 4.232 1.00 57.62 C ATOM 1023 CD2 PHE B 10 -5.898 41.742 1.898 1.00 62.18 C ATOM 1024 CE1 PHE B 10 -7.752 42.103 3.934 1.00 61.16 C ATOM 1025 CE2 PHE B 10 -7.229 42.019 1.580 1.00 62.99 C ATOM 1026 CZ PHE B 10 -8.151 42.213 2.582 1.00 62.53 C ATOM 1027 H PHE B 10 -2.783 43.065 2.184 1.00 0.00 H ATOM 1028 N VAL B 11 -2.375 41.893 6.325 1.00 53.06 N ATOM 1029 CA VAL B 11 -1.436 41.253 7.224 1.00 53.31 C ATOM 1030 C VAL B 11 -2.228 40.275 8.114 1.00 53.53 C ATOM 1031 O VAL B 11 -3.421 40.440 8.327 1.00 52.67 O ATOM 1032 CB VAL B 11 -0.644 42.305 8.110 1.00 52.89 C ATOM 1033 CG1 VAL B 11 0.356 43.092 7.254 1.00 55.29 C ATOM 1034 CG2 VAL B 11 -1.596 43.230 8.849 1.00 51.88 C ATOM 1035 H VAL B 11 -3.248 42.296 6.721 1.00 0.00 H ATOM 1036 N THR B 12 -1.559 39.249 8.631 1.00 54.50 N ATOM 1037 CA THR B 12 -2.185 38.356 9.598 1.00 55.24 C ATOM 1038 C THR B 12 -2.171 39.034 10.967 1.00 54.56 C ATOM 1039 O THR B 12 -1.181 39.683 11.344 1.00 55.13 O ATOM 1040 CB THR B 12 -1.492 36.969 9.646 1.00 56.46 C ATOM 1041 OG1 THR B 12 -1.558 36.381 8.347 1.00 57.31 O ATOM 1042 CG2 THR B 12 -2.214 36.029 10.642 1.00 57.68 C ATOM 1043 HG1 THR B 12 -1.118 35.494 8.365 1.00 0.00 H ATOM 1044 H THR B 12 -0.574 39.081 8.341 1.00 0.00 H ATOM 1045 N VAL B 13 -3.301 38.930 11.661 1.00 53.76 N ATOM 1046 CA VAL B 13 -3.455 39.450 13.007 1.00 54.10 C ATOM 1047 C VAL B 13 -4.038 38.323 13.871 1.00 54.05 C ATOM 1048 O VAL B 13 -4.816 37.489 13.393 1.00 53.77 O ATOM 1049 CB VAL B 13 -4.330 40.762 13.039 1.00 54.12 C ATOM 1050 CG1 VAL B 13 -3.826 41.772 11.986 1.00 52.78 C ATOM 1051 CG2 VAL B 13 -5.753 40.471 12.757 1.00 55.48 C ATOM 1052 H VAL B 13 -4.112 38.454 11.218 1.00 0.00 H ATOM 1053 N LYS B 14 -3.578 38.271 15.111 1.00 53.99 N ATOM 1054 CA LYS B 14 -4.071 37.351 16.135 1.00 55.73 C ATOM 1055 C LYS B 14 -4.630 38.209 17.291 1.00 56.59 C ATOM 1056 O LYS B 14 -3.912 39.053 17.852 1.00 56.12 O ATOM 1057 CB LYS B 14 -2.926 36.458 16.620 1.00 56.20 C ATOM 1058 CG LYS B 14 -3.328 35.352 17.583 1.00 58.80 C ATOM 1059 CD LYS B 14 -2.092 34.597 18.059 1.00 62.72 C ATOM 1060 CE LYS B 14 -2.433 33.703 19.234 1.00 67.13 C ATOM 1061 NZ LYS B 14 -1.196 33.160 19.930 1.00 71.19 N ATOM 1062 HZ1 LYS B 14 -0.636 32.602 19.254 1.00 0.00 H ATOM 1063 HZ2 LYS B 14 -0.624 33.952 20.285 1.00 0.00 H ATOM 1064 HZ3 LYS B 14 -1.485 32.555 20.725 1.00 0.00 H ATOM 1065 H LYS B 14 -2.816 38.928 15.374 1.00 0.00 H ATOM 1066 N ILE B 15 -5.905 37.994 17.614 1.00 58.11 N ATOM 1067 CA ILE B 15 -6.653 38.810 18.566 1.00 60.33 C ATOM 1068 C ILE B 15 -7.556 37.859 19.376 1.00 61.88 C ATOM 1069 O ILE B 15 -8.439 37.181 18.822 1.00 61.46 O ATOM 1070 CB ILE B 15 -7.492 39.924 17.848 1.00 60.72 C ATOM 1071 CG1 ILE B 15 -6.614 40.682 16.857 1.00 62.49 C ATOM 1072 CG2 ILE B 15 -8.077 40.926 18.882 1.00 61.76 C ATOM 1073 CD1 ILE B 15 -7.366 41.457 15.781 1.00 66.00 C ATOM 1074 H ILE B 15 -6.397 37.197 17.161 1.00 0.00 H ATOM 1075 N ALA B 16 -7.282 37.770 20.677 1.00 63.08 N ATOM 1076 CA ALA B 16 -8.026 36.867 21.590 1.00 64.85 C ATOM 1077 C ALA B 16 -7.900 35.388 21.162 1.00 64.77 C ATOM 1078 O ALA B 16 -8.896 34.663 21.154 1.00 66.57 O ATOM 1079 CB ALA B 16 -9.521 37.292 21.682 1.00 66.09 C ATOM 1080 H ALA B 16 -6.517 38.356 21.068 1.00 0.00 H ATOM 1081 N GLY B 17 -6.682 34.970 20.783 1.00 63.19 N ATOM 1082 CA GLY B 17 -6.409 33.612 20.302 1.00 62.16 C ATOM 1083 C GLY B 17 -6.933 33.266 18.906 1.00 61.45 C ATOM 1084 O GLY B 17 -6.747 32.138 18.458 1.00 61.72 O ATOM 1085 H GLY B 17 -5.891 35.644 20.833 1.00 0.00 H ATOM 1086 N GLN B 18 -7.608 34.210 18.240 1.00 60.46 N ATOM 1087 CA GLN B 18 -8.151 34.021 16.869 1.00 60.27 C ATOM 1088 C GLN B 18 -7.290 34.699 15.784 1.00 57.76 C ATOM 1089 O GLN B 18 -6.891 35.858 15.925 1.00 55.36 O ATOM 1090 CB GLN B 18 -9.554 34.621 16.766 1.00 61.48 C ATOM 1091 CG GLN B 18 -10.567 34.028 17.695 1.00 65.83 C ATOM 1092 CD GLN B 18 -11.745 34.959 17.938 1.00 70.15 C ATOM 1093 OE1 GLN B 18 -12.006 35.363 19.090 1.00 73.62 O ATOM 1094 NE2 GLN B 18 -12.450 35.321 16.862 1.00 70.91 N ATOM 1095 HE22 GLN B 18 -12.191 34.956 15.923 1.00 0.00 H ATOM 1096 HE21 GLN B 18 -13.258 35.968 16.963 1.00 0.00 H ATOM 1097 H GLN B 18 -7.761 35.126 18.707 1.00 0.00 H ATOM 1098 N LEU B 19 -7.077 33.987 14.682 1.00 58.03 N ATOM 1099 CA LEU B 19 -6.320 34.516 13.522 1.00 57.38 C ATOM 1100 C LEU B 19 -7.256 35.068 12.456 1.00 57.66 C ATOM 1101 O LEU B 19 -8.336 34.536 12.225 1.00 58.64 O ATOM 1102 CB LEU B 19 -5.443 33.431 12.890 1.00 58.00 C ATOM 1103 CG LEU B 19 -4.475 32.666 13.798 1.00 59.14 C ATOM 1104 CD1 LEU B 19 -3.749 31.584 12.988 1.00 61.37 C ATOM 1105 CD2 LEU B 19 -3.478 33.628 14.445 1.00 58.63 C ATOM 1106 H LEU B 19 -7.457 33.020 14.631 1.00 0.00 H ATOM 1107 N MET B 20 -6.843 36.145 11.805 1.00 57.01 N ATOM 1108 CA MET B 20 -7.631 36.715 10.696 1.00 57.89 C ATOM 1109 C MET B 20 -6.708 37.570 9.845 1.00 56.31 C ATOM 1110 O MET B 20 -5.558 37.813 10.209 1.00 54.71 O ATOM 1111 CB MET B 20 -8.834 37.532 11.221 1.00 58.37 C ATOM 1112 CG MET B 20 -8.486 38.664 12.230 1.00 58.94 C ATOM 1113 SD MET B 20 -9.844 39.156 13.352 1.00 64.97 S ATOM 1114 CE MET B 20 -9.648 37.903 14.650 1.00 59.83 C ATOM 1115 H MET B 20 -5.948 36.597 12.081 1.00 0.00 H ATOM 1116 N GLU B 21 -7.194 37.989 8.694 1.00 57.04 N ATOM 1117 CA GLU B 21 -6.459 38.949 7.894 1.00 56.60 C ATOM 1118 C GLU B 21 -7.097 40.300 7.966 1.00 54.86 C ATOM 1119 O GLU B 21 -8.302 40.402 8.123 1.00 55.53 O ATOM 1120 CB GLU B 21 -6.340 38.457 6.491 1.00 58.81 C ATOM 1121 CG GLU B 21 -5.520 37.216 6.482 1.00 63.23 C ATOM 1122 CD GLU B 21 -4.594 37.182 5.341 1.00 68.51 C ATOM 1123 OE1 GLU B 21 -3.842 38.162 5.136 1.00 71.94 O ATOM 1124 OE2 GLU B 21 -4.636 36.174 4.632 1.00 75.66 O ATOM 1125 H GLU B 21 -8.110 37.629 8.358 1.00 0.00 H ATOM 1126 N ALA B 22 -6.260 41.332 7.897 1.00 53.35 N ATOM 1127 CA ALA B 22 -6.674 42.714 8.086 1.00 51.89 C ATOM 1128 C ALA B 22 -5.806 43.632 7.255 1.00 51.65 C ATOM 1129 O ALA B 22 -4.614 43.404 7.084 1.00 52.27 O ATOM 1130 CB ALA B 22 -6.617 43.132 9.587 1.00 50.11 C ATOM 1131 H ALA B 22 -5.257 41.141 7.698 1.00 0.00 H ATOM 1132 N LEU B 23 -6.445 44.689 6.773 1.00 51.33 N ATOM 1133 CA LEU B 23 -5.909 45.617 5.846 1.00 51.79 C ATOM 1134 C LEU B 23 -5.204 46.717 6.624 1.00 50.97 C ATOM 1135 O LEU B 23 -5.777 47.329 7.541 1.00 50.56 O ATOM 1136 CB LEU B 23 -7.119 46.145 5.051 1.00 53.56 C ATOM 1137 CG LEU B 23 -7.022 46.594 3.632 1.00 57.21 C ATOM 1138 CD1 LEU B 23 -6.524 45.469 2.727 1.00 58.39 C ATOM 1139 CD2 LEU B 23 -8.410 47.132 3.237 1.00 60.70 C ATOM 1140 H LEU B 23 -7.418 44.850 7.102 1.00 0.00 H ATOM 1141 N LEU B 24 -3.924 46.918 6.360 1.00 51.24 N ATOM 1142 CA LEU B 24 -3.235 48.081 6.930 1.00 51.39 C ATOM 1143 C LEU B 24 -3.790 49.324 6.223 1.00 51.18 C ATOM 1144 O LEU B 24 -3.603 49.486 5.014 1.00 52.38 O ATOM 1145 CB LEU B 24 -1.727 47.990 6.734 1.00 52.57 C ATOM 1146 CG LEU B 24 -1.072 46.750 7.352 1.00 52.51 C ATOM 1147 CD1 LEU B 24 0.382 46.716 6.871 1.00 54.18 C ATOM 1148 CD2 LEU B 24 -1.225 46.696 8.873 1.00 50.37 C ATOM 1149 H LEU B 24 -3.407 46.253 5.750 1.00 0.00 H ATOM 1150 N ASP B 25 -4.509 50.168 6.964 1.00 50.23 N ATOM 1151 CA ASP B 25 -5.347 51.215 6.357 1.00 50.36 C ATOM 1152 C ASP B 25 -5.029 52.609 6.918 1.00 49.96 C ATOM 1153 O ASP B 25 -5.553 53.026 7.962 1.00 50.15 O ATOM 1154 CB ASP B 25 -6.810 50.855 6.587 1.00 50.96 C ATOM 1155 CG ASP B 25 -7.779 51.726 5.792 1.00 54.18 C ATOM 1156 OD1 ASP B 25 -7.361 52.645 5.032 1.00 58.54 O ATOM 1157 OD2 ASP B 25 -8.990 51.451 5.908 1.00 57.93 O ATOM 1158 H ASP B 25 -4.477 50.084 8.000 1.00 0.00 H ATOM 1159 N THR B 26 -4.161 53.322 6.207 1.00 50.45 N ATOM 1160 CA THR B 26 -3.765 54.677 6.575 1.00 50.93 C ATOM 1161 C THR B 26 -4.938 55.681 6.546 1.00 50.82 C ATOM 1162 O THR B 26 -4.903 56.671 7.264 1.00 51.70 O ATOM 1163 CB THR B 26 -2.620 55.159 5.699 1.00 51.72 C ATOM 1164 OG1 THR B 26 -3.058 55.178 4.331 1.00 53.71 O ATOM 1165 CG2 THR B 26 -1.379 54.237 5.847 1.00 51.90 C ATOM 1166 HG1 THR B 26 -3.830 55.791 4.241 1.00 0.00 H ATOM 1167 H THR B 26 -3.747 52.896 5.353 1.00 0.00 H ATOM 1168 N GLY B 27 -6.002 55.391 5.792 1.00 50.32 N ATOM 1169 CA GLY B 27 -7.214 56.230 5.786 1.00 50.26 C ATOM 1170 C GLY B 27 -8.253 55.997 6.871 1.00 50.43 C ATOM 1171 O GLY B 27 -9.277 56.683 6.879 1.00 51.16 O ATOM 1172 H GLY B 27 -5.974 54.544 5.189 1.00 0.00 H ATOM 1173 N ALA B 28 -7.963 55.060 7.801 1.00 49.27 N ATOM 1174 CA ALA B 28 -8.829 54.634 8.875 1.00 50.03 C ATOM 1175 C ALA B 28 -8.286 55.229 10.191 1.00 50.84 C ATOM 1176 O ALA B 28 -7.137 54.986 10.560 1.00 50.04 O ATOM 1177 CB ALA B 28 -8.842 53.065 8.963 1.00 48.72 C ATOM 1178 H ALA B 28 -7.030 54.604 7.737 1.00 0.00 H ATOM 1179 N ASP B 29 -9.070 56.034 10.895 1.00 52.78 N ATOM 1180 CA ASP B 29 -8.588 56.563 12.178 1.00 54.13 C ATOM 1181 C ASP B 29 -8.538 55.428 13.184 1.00 55.21 C ATOM 1182 O ASP B 29 -7.683 55.410 14.086 1.00 55.99 O ATOM 1183 CB ASP B 29 -9.494 57.649 12.762 1.00 55.57 C ATOM 1184 CG ASP B 29 -9.701 58.835 11.849 1.00 56.89 C ATOM 1185 OD1 ASP B 29 -8.880 59.131 10.910 1.00 56.62 O ATOM 1186 OD2 ASP B 29 -10.741 59.483 12.107 1.00 60.02 O ATOM 1187 H ASP B 29 -10.015 56.288 10.543 1.00 0.00 H ATOM 1188 N ASP B 30 -9.476 54.491 13.032 1.00 56.50 N ATOM 1189 CA ASP B 30 -9.716 53.433 14.014 1.00 57.05 C ATOM 1190 C ASP B 30 -9.658 52.047 13.390 1.00 55.22 C ATOM 1191 O ASP B 30 -9.831 51.867 12.187 1.00 55.08 O ATOM 1192 CB ASP B 30 -11.111 53.580 14.635 1.00 58.85 C ATOM 1193 CG ASP B 30 -11.280 54.859 15.436 1.00 64.46 C ATOM 1194 OD1 ASP B 30 -10.304 55.350 16.080 1.00 69.94 O ATOM 1195 OD2 ASP B 30 -12.432 55.343 15.466 1.00 72.34 O ATOM 1196 H ASP B 30 -10.064 54.514 12.175 1.00 0.00 H ATOM 1197 N THR B 31 -9.446 51.073 14.268 1.00 54.37 N ATOM 1198 CA THR B 31 -9.376 49.670 13.918 1.00 52.85 C ATOM 1199 C THR B 31 -10.779 49.073 14.057 1.00 54.51 C ATOM 1200 O THR B 31 -11.435 49.236 15.095 1.00 53.83 O ATOM 1201 CB THR B 31 -8.327 48.945 14.842 1.00 51.69 C ATOM 1202 OG1 THR B 31 -7.023 49.416 14.490 1.00 48.72 O ATOM 1203 CG2 THR B 31 -8.396 47.397 14.710 1.00 47.18 C ATOM 1204 HG1 THR B 31 -6.979 50.395 14.627 1.00 0.00 H ATOM 1205 H THR B 31 -9.323 51.334 15.267 1.00 0.00 H ATOM 1206 N ILE B 32 -11.236 48.419 12.992 1.00 55.09 N ATOM 1207 CA ILE B 32 -12.564 47.800 12.965 1.00 58.32 C ATOM 1208 C ILE B 32 -12.424 46.372 12.478 1.00 59.99 C ATOM 1209 O ILE B 32 -11.821 46.132 11.440 1.00 59.00 O ATOM 1210 CB ILE B 32 -13.584 48.515 12.027 1.00 59.32 C ATOM 1211 CG1 ILE B 32 -13.601 50.050 12.257 1.00 59.20 C ATOM 1212 CG2 ILE B 32 -14.975 47.860 12.203 1.00 59.33 C ATOM 1213 CD1 ILE B 32 -14.121 50.865 11.061 1.00 58.15 C ATOM 1214 H ILE B 32 -10.630 48.345 12.150 1.00 0.00 H ATOM 1215 N LEU B 33 -12.984 45.438 13.236 1.00 59.29 N ATOM 1216 CA LEU B 33 -12.913 44.016 12.930 1.00 65.26 C ATOM 1217 C LEU B 33 -14.310 43.417 12.744 1.00 69.93 C ATOM 1218 O LEU B 33 -15.272 43.865 13.356 1.00 67.95 O ATOM 1219 CB LEU B 33 -12.137 43.258 14.038 1.00 65.73 C ATOM 1220 CG LEU B 33 -10.669 43.688 14.246 1.00 65.63 C ATOM 1221 CD1 LEU B 33 -10.109 42.949 15.436 1.00 68.95 C ATOM 1222 CD2 LEU B 33 -9.785 43.507 12.989 1.00 67.77 C ATOM 1223 H LEU B 33 -13.498 45.736 14.090 1.00 0.00 H ATOM 1224 N GLU B 34 -14.396 42.407 11.880 1.00 77.91 N ATOM 1225 CA GLU B 34 -15.653 41.742 11.563 1.00 85.40 C ATOM 1226 C GLU B 34 -16.219 41.084 12.815 1.00 90.45 C ATOM 1227 O GLU B 34 -15.551 41.049 13.893 1.00 89.33 O ATOM 1228 CB GLU B 34 -15.461 40.712 10.439 1.00 90.46 C ATOM 1229 CG GLU B 34 -15.438 41.320 9.020 1.00 92.13 C ATOM 1230 CD GLU B 34 -15.059 40.308 7.927 1.00 99.31 C ATOM 1231 OE1 GLU B 34 -14.967 39.076 8.203 1.00104.99 O ATOM 1232 OE2 GLU B 34 -14.850 40.757 6.778 1.00100.51 O ATOM 1233 H GLU B 34 -13.528 42.079 11.411 1.00 0.00 H ATOM 1234 N GLU B 35 -17.467 40.587 12.684 1.00 98.15 N ATOM 1235 CA GLU B 35 -18.129 40.002 13.838 1.00104.31 C ATOM 1236 C GLU B 35 -17.344 38.808 14.379 1.00108.66 C ATOM 1237 O GLU B 35 -17.309 37.713 13.774 1.00113.88 O ATOM 1238 CB GLU B 35 -19.603 39.694 13.522 1.00109.54 C ATOM 1239 CG GLU B 35 -20.435 41.008 13.622 1.00109.14 C ATOM 1240 CD GLU B 35 -21.546 41.085 12.591 1.00114.45 C ATOM 1241 OE1 GLU B 35 -22.731 41.108 13.002 1.00119.62 O ATOM 1242 OE2 GLU B 35 -21.240 41.152 11.374 1.00115.13 O ATOM 1243 H GLU B 35 -17.951 40.622 11.764 1.00 0.00 H ATOM 1244 N MET B 36 -16.684 39.073 15.516 1.00108.12 N ATOM 1245 CA MET B 36 -15.926 38.079 16.261 1.00112.03 C ATOM 1246 C MET B 36 -16.339 38.177 17.730 1.00114.36 C ATOM 1247 O MET B 36 -16.923 39.185 18.142 1.00112.21 O ATOM 1248 CB MET B 36 -14.411 38.319 16.077 1.00108.45 C ATOM 1249 CG MET B 36 -13.856 39.572 16.818 1.00102.58 C ATOM 1250 SD MET B 36 -12.049 39.558 16.832 1.00 99.97 S ATOM 1251 CE MET B 36 -11.722 38.827 18.464 1.00102.38 C ATOM 1252 H MET B 36 -16.716 40.044 15.886 1.00 0.00 H ATOM 1253 N SER B 37 -16.048 37.128 18.505 1.00120.19 N ATOM 1254 CA SER B 37 -16.383 37.097 19.935 1.00123.49 C ATOM 1255 C SER B 37 -15.186 37.550 20.780 1.00120.14 C ATOM 1256 O SER B 37 -14.181 36.832 20.904 1.00120.73 O ATOM 1257 CB SER B 37 -16.833 35.695 20.367 1.00131.21 C ATOM 1258 OG SER B 37 -15.842 34.686 19.999 1.00133.45 O ATOM 1259 HG SER B 37 -15.718 34.690 19.017 1.00 0.00 H ATOM 1260 H SER B 37 -15.569 36.307 18.082 1.00 0.00 H ATOM 1261 N LEU B 38 -15.297 38.759 21.331 1.00117.68 N ATOM 1262 CA LEU B 38 -14.319 39.302 22.271 1.00115.43 C ATOM 1263 C LEU B 38 -14.979 39.326 23.632 1.00120.36 C ATOM 1264 O LEU B 38 -16.205 39.424 23.723 1.00123.50 O ATOM 1265 CB LEU B 38 -13.916 40.741 21.908 1.00109.89 C ATOM 1266 CG LEU B 38 -12.778 41.012 20.927 1.00104.25 C ATOM 1267 CD1 LEU B 38 -12.697 42.502 20.646 1.00 98.78 C ATOM 1268 CD2 LEU B 38 -11.466 40.518 21.465 1.00102.12 C ATOM 1269 H LEU B 38 -16.119 39.344 21.080 1.00 0.00 H ATOM 1270 N PRO B 39 -14.173 39.220 24.699 1.00122.47 N ATOM 1271 CA PRO B 39 -14.641 39.578 26.034 1.00126.60 C ATOM 1272 C PRO B 39 -14.097 40.984 26.402 1.00123.93 C ATOM 1273 O PRO B 39 -13.078 41.397 25.831 1.00119.71 O ATOM 1274 CB PRO B 39 -14.014 38.489 26.907 1.00129.68 C ATOM 1275 CG PRO B 39 -12.713 38.149 26.202 1.00125.42 C ATOM 1276 CD PRO B 39 -12.856 38.546 24.752 1.00121.48 C ATOM 1277 N GLY B 40 -14.736 41.742 27.300 1.00127.62 N ATOM 1278 CA GLY B 40 -16.046 41.442 27.885 1.00134.26 C ATOM 1279 C GLY B 40 -16.947 42.668 27.872 1.00135.58 C ATOM 1280 O GLY B 40 -18.019 42.644 27.263 1.00137.35 O ATOM 1281 H GLY B 40 -14.264 42.616 27.608 1.00 0.00 H ATOM 1282 N ARG B 41 -16.513 43.743 28.531 1.00135.38 N ATOM 1283 CA ARG B 41 -17.302 44.979 28.603 1.00137.50 C ATOM 1284 C ARG B 41 -16.965 45.948 27.442 1.00129.80 C ATOM 1285 O ARG B 41 -15.824 46.003 26.979 1.00124.68 O ATOM 1286 CB ARG B 41 -17.112 45.640 29.977 1.00142.74 C ATOM 1287 CG ARG B 41 -18.117 46.740 30.294 1.00151.93 C ATOM 1288 CD ARG B 41 -17.521 48.120 30.068 1.00154.77 C ATOM 1289 NE ARG B 41 -18.529 49.075 29.582 1.00160.53 N ATOM 1290 CZ ARG B 41 -18.660 50.339 30.026 1.00167.17 C ATOM 1291 NH1 ARG B 41 -17.840 50.859 30.988 1.00170.29 N ATOM 1292 NH2 ARG B 41 -19.623 51.101 29.488 1.00170.28 N ATOM 1293 HE ARG B 41 -19.186 48.751 28.844 1.00 0.00 H ATOM 1294 HH12 ARG B 41 -17.970 51.840 31.307 1.00 0.00 H ATOM 1295 HH11 ARG B 41 -17.086 50.273 31.401 1.00 0.00 H ATOM 1296 HH22 ARG B 41 -19.750 52.082 29.809 1.00 0.00 H ATOM 1297 HH21 ARG B 41 -20.243 50.711 28.749 1.00 0.00 H ATOM 1298 H ARG B 41 -15.589 43.705 29.007 1.00 0.00 H ATOM 1299 N TRP B 42 -17.974 46.693 26.979 1.00128.79 N ATOM 1300 CA TRP B 42 -17.851 47.587 25.819 1.00122.50 C ATOM 1301 C TRP B 42 -18.769 48.821 25.880 1.00123.32 C ATOM 1302 O TRP B 42 -19.721 48.858 26.661 1.00129.07 O ATOM 1303 CB TRP B 42 -18.142 46.807 24.536 1.00119.90 C ATOM 1304 CG TRP B 42 -19.439 46.012 24.510 1.00125.68 C ATOM 1305 CD1 TRP B 42 -19.621 44.725 24.944 1.00130.33 C ATOM 1306 CD2 TRP B 42 -20.707 46.430 23.967 1.00129.76 C ATOM 1307 NE1 TRP B 42 -20.920 44.321 24.723 1.00135.45 N ATOM 1308 CE2 TRP B 42 -21.608 45.345 24.124 1.00135.45 C ATOM 1309 CE3 TRP B 42 -21.170 47.615 23.370 1.00129.35 C ATOM 1310 CZ2 TRP B 42 -22.946 45.412 23.712 1.00140.33 C ATOM 1311 CZ3 TRP B 42 -22.506 47.680 22.960 1.00133.52 C ATOM 1312 CH2 TRP B 42 -23.374 46.583 23.133 1.00139.00 C ATOM 1313 HE1 TRP B 42 -21.314 43.391 24.970 1.00 0.00 H ATOM 1314 H TRP B 42 -18.892 46.637 27.464 1.00 0.00 H ATOM 1315 N THR B 43 -18.478 49.835 25.059 1.00117.23 N ATOM 1316 CA THR B 43 -19.359 51.001 24.937 1.00117.60 C ATOM 1317 C THR B 43 -19.863 51.142 23.499 1.00112.10 C ATOM 1318 O THR B 43 -19.096 50.979 22.550 1.00106.39 O ATOM 1319 CB THR B 43 -18.666 52.296 25.397 1.00118.47 C ATOM 1320 OG1 THR B 43 -17.309 52.319 24.932 1.00114.06 O ATOM 1321 CG2 THR B 43 -18.667 52.381 26.917 1.00124.72 C ATOM 1322 HG1 THR B 43 -16.872 53.155 25.233 1.00 0.00 H ATOM 1323 H THR B 43 -17.606 49.796 24.493 1.00 0.00 H ATOM 1324 N PRO B 44 -21.167 51.422 23.332 1.00112.95 N ATOM 1325 CA PRO B 44 -21.734 51.520 21.995 1.00108.11 C ATOM 1326 C PRO B 44 -21.241 52.771 21.283 1.00102.02 C ATOM 1327 O PRO B 44 -21.152 53.836 21.896 1.00104.08 O ATOM 1328 CB PRO B 44 -23.236 51.592 22.259 1.00114.32 C ATOM 1329 CG PRO B 44 -23.336 52.210 23.578 1.00120.98 C ATOM 1330 CD PRO B 44 -22.176 51.702 24.369 1.00120.23 C ATOM 1331 N LYS B 45 -20.896 52.616 20.005 1.00 93.71 N ATOM 1332 CA LYS B 45 -20.382 53.699 19.182 1.00 88.39 C ATOM 1333 C LYS B 45 -20.952 53.495 17.748 1.00 83.13 C ATOM 1334 O LYS B 45 -21.455 52.427 17.413 1.00 81.40 O ATOM 1335 CB LYS B 45 -18.826 53.678 19.199 1.00 85.53 C ATOM 1336 CG LYS B 45 -18.121 55.064 19.159 1.00 87.20 C ATOM 1337 CD LYS B 45 -16.652 54.995 18.649 1.00 85.66 C ATOM 1338 CE LYS B 45 -15.986 56.391 18.516 1.00 88.28 C ATOM 1339 NZ LYS B 45 -16.336 57.132 17.255 1.00 88.96 N ATOM 1340 HZ1 LYS B 45 -16.035 56.573 16.431 1.00 0.00 H ATOM 1341 HZ2 LYS B 45 -17.364 57.282 17.217 1.00 0.00 H ATOM 1342 HZ3 LYS B 45 -15.850 58.051 17.248 1.00 0.00 H ATOM 1343 H LYS B 45 -20.999 51.675 19.575 1.00 0.00 H ATOM 1344 N VAL B 46 -20.917 54.534 16.920 1.00 79.13 N ATOM 1345 CA VAL B 46 -21.154 54.381 15.462 1.00 74.34 C ATOM 1346 C VAL B 46 -19.967 55.039 14.757 1.00 69.69 C ATOM 1347 O VAL B 46 -19.469 56.079 15.218 1.00 70.05 O ATOM 1348 CB VAL B 46 -22.518 54.992 14.987 1.00 76.44 C ATOM 1349 CG1 VAL B 46 -23.681 54.526 15.873 1.00 79.89 C ATOM 1350 CG2 VAL B 46 -22.456 56.489 14.998 1.00 78.47 C ATOM 1351 H VAL B 46 -20.718 55.480 17.304 1.00 0.00 H ATOM 1352 N VAL B 47 -19.511 54.412 13.665 1.00 65.21 N ATOM 1353 CA VAL B 47 -18.435 54.935 12.804 1.00 62.70 C ATOM 1354 C VAL B 47 -18.944 55.225 11.395 1.00 61.33 C ATOM 1355 O VAL B 47 -19.836 54.533 10.881 1.00 60.48 O ATOM 1356 CB VAL B 47 -17.247 53.933 12.671 1.00 61.45 C ATOM 1357 CG1 VAL B 47 -16.502 53.808 13.981 1.00 60.35 C ATOM 1358 CG2 VAL B 47 -17.758 52.559 12.227 1.00 62.11 C ATOM 1359 H VAL B 47 -19.942 53.501 13.409 1.00 0.00 H ATOM 1360 N GLY B 48 -18.347 56.238 10.767 1.00 60.67 N ATOM 1361 CA GLY B 48 -18.825 56.757 9.504 1.00 61.31 C ATOM 1362 C GLY B 48 -17.818 56.538 8.374 1.00 61.31 C ATOM 1363 O GLY B 48 -16.590 56.606 8.578 1.00 63.33 O ATOM 1364 H GLY B 48 -17.507 56.671 11.201 1.00 0.00 H ATOM 1365 N GLY B 49 -18.326 56.296 7.184 1.00 60.10 N ATOM 1366 CA GLY B 49 -17.463 56.044 6.061 1.00 60.55 C ATOM 1367 C GLY B 49 -18.167 56.418 4.796 1.00 61.27 C ATOM 1368 O GLY B 49 -19.162 57.147 4.841 1.00 60.99 O ATOM 1369 H GLY B 49 -19.358 56.287 7.055 1.00 0.00 H ATOM 1370 N ILE B 50 -17.628 55.909 3.675 1.00 63.25 N ATOM 1371 CA ILE B 50 -18.268 55.958 2.347 1.00 64.92 C ATOM 1372 C ILE B 50 -19.549 55.133 2.411 1.00 64.61 C ATOM 1373 O ILE B 50 -19.522 53.976 2.812 1.00 65.59 O ATOM 1374 CB ILE B 50 -17.321 55.405 1.234 1.00 67.45 C ATOM 1375 CG1 ILE B 50 -16.383 56.528 0.772 1.00 70.12 C ATOM 1376 CG2 ILE B 50 -18.115 54.854 0.036 1.00 69.22 C ATOM 1377 CD1 ILE B 50 -15.358 56.115 -0.246 1.00 75.33 C ATOM 1378 H ILE B 50 -16.698 55.450 3.749 1.00 0.00 H ATOM 1379 N GLY B 51 -20.682 55.710 2.043 1.00 65.20 N ATOM 1380 CA GLY B 51 -21.944 54.976 2.196 1.00 64.73 C ATOM 1381 C GLY B 51 -22.722 55.197 3.494 1.00 63.16 C ATOM 1382 O GLY B 51 -23.863 54.777 3.582 1.00 64.54 O ATOM 1383 H GLY B 51 -20.678 56.673 1.650 1.00 0.00 H ATOM 1384 N GLY B 52 -22.134 55.840 4.505 1.00 61.12 N ATOM 1385 CA GLY B 52 -22.902 56.276 5.663 1.00 60.52 C ATOM 1386 C GLY B 52 -22.322 55.729 6.938 1.00 59.60 C ATOM 1387 O GLY B 52 -21.105 55.758 7.139 1.00 58.87 O ATOM 1388 H GLY B 52 -21.113 56.032 4.465 1.00 0.00 H ATOM 1389 N PHE B 53 -23.173 55.189 7.795 1.00 59.81 N ATOM 1390 CA PHE B 53 -22.719 54.847 9.136 1.00 59.78 C ATOM 1391 C PHE B 53 -23.013 53.402 9.498 1.00 60.73 C ATOM 1392 O PHE B 53 -23.886 52.743 8.911 1.00 62.63 O ATOM 1393 CB PHE B 53 -23.396 55.756 10.169 1.00 61.90 C ATOM 1394 CG PHE B 53 -24.896 55.551 10.284 1.00 66.11 C ATOM 1395 CD1 PHE B 53 -25.769 56.178 9.401 1.00 68.42 C ATOM 1396 CD2 PHE B 53 -25.428 54.753 11.287 1.00 69.92 C ATOM 1397 CE1 PHE B 53 -27.138 55.999 9.506 1.00 72.89 C ATOM 1398 CE2 PHE B 53 -26.802 54.576 11.400 1.00 74.80 C ATOM 1399 CZ PHE B 53 -27.655 55.201 10.506 1.00 75.85 C ATOM 1400 H PHE B 53 -24.158 55.010 7.513 1.00 0.00 H ATOM 1401 N MET B 54 -22.275 52.932 10.488 1.00 60.39 N ATOM 1402 CA MET B 54 -22.356 51.546 10.928 1.00 62.79 C ATOM 1403 C MET B 54 -22.237 51.476 12.451 1.00 63.81 C ATOM 1404 O MET B 54 -21.317 52.038 13.021 1.00 61.43 O ATOM 1405 CB MET B 54 -21.209 50.768 10.259 1.00 61.10 C ATOM 1406 CG MET B 54 -21.100 49.315 10.626 1.00 64.21 C ATOM 1407 SD MET B 54 -19.585 48.598 9.960 1.00 65.11 S ATOM 1408 CE MET B 54 -18.402 49.041 11.256 1.00 60.95 C ATOM 1409 H MET B 54 -21.613 53.574 10.970 1.00 0.00 H ATOM 1410 N LYS B 55 -23.147 50.766 13.102 1.00 69.01 N ATOM 1411 CA LYS B 55 -23.075 50.590 14.569 1.00 72.62 C ATOM 1412 C LYS B 55 -21.988 49.561 14.942 1.00 70.97 C ATOM 1413 O LYS B 55 -21.912 48.485 14.349 1.00 71.10 O ATOM 1414 CB LYS B 55 -24.446 50.201 15.142 1.00 78.39 C ATOM 1415 CG LYS B 55 -25.535 51.221 14.825 1.00 84.52 C ATOM 1416 CD LYS B 55 -26.920 50.811 15.348 1.00 95.31 C ATOM 1417 CE LYS B 55 -28.004 51.704 14.720 1.00100.19 C ATOM 1418 NZ LYS B 55 -29.390 51.382 15.183 1.00109.49 N ATOM 1419 HZ1 LYS B 55 -29.617 50.398 14.936 1.00 0.00 H ATOM 1420 HZ2 LYS B 55 -29.447 51.503 16.214 1.00 0.00 H ATOM 1421 HZ3 LYS B 55 -30.066 52.022 14.720 1.00 0.00 H ATOM 1422 H LYS B 55 -23.926 50.325 12.572 1.00 0.00 H ATOM 1423 N VAL B 56 -21.139 49.929 15.906 1.00 70.52 N ATOM 1424 CA VAL B 56 -20.057 49.069 16.412 1.00 69.61 C ATOM 1425 C VAL B 56 -20.041 48.951 17.976 1.00 73.29 C ATOM 1426 O VAL B 56 -20.554 49.825 18.701 1.00 75.04 O ATOM 1427 CB VAL B 56 -18.667 49.559 15.944 1.00 65.82 C ATOM 1428 CG1 VAL B 56 -18.537 49.500 14.400 1.00 62.36 C ATOM 1429 CG2 VAL B 56 -18.407 50.960 16.477 1.00 64.78 C ATOM 1430 H VAL B 56 -21.249 50.876 16.322 1.00 0.00 H ATOM 1431 N ARG B 57 -19.444 47.859 18.460 1.00 74.70 N ATOM 1432 CA ARG B 57 -19.054 47.699 19.878 1.00 78.14 C ATOM 1433 C ARG B 57 -17.595 48.136 20.083 1.00 74.12 C ATOM 1434 O ARG B 57 -16.679 47.608 19.405 1.00 71.38 O ATOM 1435 CB ARG B 57 -19.247 46.249 20.325 1.00 81.72 C ATOM 1436 CG ARG B 57 -20.725 45.818 20.318 1.00 92.06 C ATOM 1437 CD ARG B 57 -20.921 44.355 20.805 1.00103.14 C ATOM 1438 NE ARG B 57 -20.983 43.402 19.677 1.00108.69 N ATOM 1439 CZ ARG B 57 -20.058 42.481 19.352 1.00111.85 C ATOM 1440 NH1 ARG B 57 -18.939 42.312 20.070 1.00111.32 N ATOM 1441 NH2 ARG B 57 -20.261 41.701 18.285 1.00114.91 N ATOM 1442 HE ARG B 57 -21.828 43.448 19.073 1.00 0.00 H ATOM 1443 HH12 ARG B 57 -18.245 41.590 19.789 1.00 0.00 H ATOM 1444 HH11 ARG B 57 -18.764 42.903 20.908 1.00 0.00 H ATOM 1445 HH22 ARG B 57 -19.554 40.985 18.022 1.00 0.00 H ATOM 1446 HH21 ARG B 57 -21.126 41.811 17.718 1.00 0.00 H ATOM 1447 H ARG B 57 -19.242 47.078 17.804 1.00 0.00 H ATOM 1448 N GLN B 58 -17.401 49.140 20.977 1.00 74.82 N ATOM 1449 CA GLN B 58 -16.063 49.626 21.283 1.00 73.47 C ATOM 1450 C GLN B 58 -15.458 48.840 22.457 1.00 75.13 C ATOM 1451 O GLN B 58 -16.007 48.855 23.585 1.00 77.88 O ATOM 1452 CB GLN B 58 -16.078 51.130 21.620 1.00 75.26 C ATOM 1453 CG GLN B 58 -14.685 51.611 22.042 1.00 76.61 C ATOM 1454 CD GLN B 58 -14.569 53.114 22.209 1.00 81.49 C ATOM 1455 OE1 GLN B 58 -15.024 53.901 21.354 1.00 84.75 O ATOM 1456 NE2 GLN B 58 -13.918 53.536 23.295 1.00 84.73 N ATOM 1457 HE22 GLN B 58 -13.554 52.847 23.984 1.00 0.00 H ATOM 1458 HE21 GLN B 58 -13.774 54.554 23.452 1.00 0.00 H ATOM 1459 H GLN B 58 -18.222 49.569 21.451 1.00 0.00 H ATOM 1460 N TYR B 59 -14.339 48.150 22.178 1.00 73.07 N ATOM 1461 CA TYR B 59 -13.564 47.421 23.201 1.00 74.50 C ATOM 1462 C TYR B 59 -12.221 48.121 23.388 1.00 73.49 C ATOM 1463 O TYR B 59 -11.488 48.364 22.411 1.00 70.27 O ATOM 1464 CB TYR B 59 -13.298 45.975 22.764 1.00 73.93 C ATOM 1465 CG TYR B 59 -14.506 45.062 22.746 1.00 77.99 C ATOM 1466 CD1 TYR B 59 -15.234 44.875 21.572 1.00 77.63 C ATOM 1467 CD2 TYR B 59 -14.902 44.348 23.903 1.00 81.91 C ATOM 1468 CE1 TYR B 59 -16.327 44.037 21.542 1.00 81.15 C ATOM 1469 CE2 TYR B 59 -15.993 43.494 23.871 1.00 85.12 C ATOM 1470 CZ TYR B 59 -16.698 43.344 22.688 1.00 85.29 C ATOM 1471 OH TYR B 59 -17.779 42.517 22.609 1.00 89.11 O ATOM 1472 HH TYR B 59 -17.502 41.592 22.829 1.00 0.00 H ATOM 1473 H TYR B 59 -14.003 48.129 21.194 1.00 0.00 H ATOM 1474 N ASP B 60 -11.898 48.427 24.643 1.00 75.99 N ATOM 1475 CA ASP B 60 -10.672 49.147 24.991 1.00 76.61 C ATOM 1476 C ASP B 60 -9.555 48.197 25.417 1.00 75.47 C ATOM 1477 O ASP B 60 -9.815 47.065 25.863 1.00 75.78 O ATOM 1478 CB ASP B 60 -10.976 50.179 26.088 1.00 81.09 C ATOM 1479 CG ASP B 60 -12.024 51.202 25.645 1.00 83.23 C ATOM 1480 OD1 ASP B 60 -12.385 51.196 24.448 1.00 82.21 O ATOM 1481 OD2 ASP B 60 -12.485 52.009 26.473 1.00 88.53 O ATOM 1482 H ASP B 60 -12.543 48.143 25.407 1.00 0.00 H ATOM 1483 N GLN B 61 -8.312 48.652 25.231 1.00 74.02 N ATOM 1484 CA GLN B 61 -7.151 47.925 25.710 1.00 73.68 C ATOM 1485 C GLN B 61 -7.158 46.448 25.271 1.00 70.70 C ATOM 1486 O GLN B 61 -6.925 45.560 26.080 1.00 72.33 O ATOM 1487 CB GLN B 61 -7.073 48.025 27.262 1.00 77.50 C ATOM 1488 CG GLN B 61 -6.084 49.075 27.813 1.00 81.70 C ATOM 1489 CD GLN B 61 -5.411 48.614 29.120 1.00 86.70 C ATOM 1490 OE1 GLN B 61 -4.315 48.029 29.102 1.00 86.66 O ATOM 1491 NE2 GLN B 61 -6.066 48.885 30.255 1.00 92.77 N ATOM 1492 HE22 GLN B 61 -6.982 49.377 30.222 1.00 0.00 H ATOM 1493 HE21 GLN B 61 -5.659 48.604 31.170 1.00 0.00 H ATOM 1494 H GLN B 61 -8.173 49.552 24.729 1.00 0.00 H ATOM 1495 N ILE B 62 -7.423 46.180 23.997 1.00 67.27 N ATOM 1496 CA ILE B 62 -7.331 44.812 23.450 1.00 65.07 C ATOM 1497 C ILE B 62 -5.923 44.592 22.909 1.00 63.10 C ATOM 1498 O ILE B 62 -5.391 45.431 22.180 1.00 60.92 O ATOM 1499 CB ILE B 62 -8.382 44.543 22.320 1.00 64.61 C ATOM 1500 CG1 ILE B 62 -9.800 44.652 22.852 1.00 66.24 C ATOM 1501 CG2 ILE B 62 -8.223 43.136 21.699 1.00 66.36 C ATOM 1502 CD1 ILE B 62 -10.136 43.617 23.957 1.00 71.02 C ATOM 1503 H ILE B 62 -7.704 46.958 23.366 1.00 0.00 H ATOM 1504 N LEU B 63 -5.331 43.454 23.281 1.00 62.26 N ATOM 1505 CA LEU B 63 -4.056 43.027 22.736 1.00 59.95 C ATOM 1506 C LEU B 63 -4.251 42.472 21.309 1.00 57.98 C ATOM 1507 O LEU B 63 -5.060 41.553 21.054 1.00 56.99 O ATOM 1508 CB LEU B 63 -3.387 41.986 23.639 1.00 60.26 C ATOM 1509 CG LEU B 63 -2.116 41.250 23.183 1.00 58.92 C ATOM 1510 CD1 LEU B 63 -0.900 42.176 23.073 1.00 56.94 C ATOM 1511 CD2 LEU B 63 -1.820 40.083 24.138 1.00 58.52 C ATOM 1512 H LEU B 63 -5.801 42.852 23.987 1.00 0.00 H ATOM 1513 N VAL B 64 -3.488 43.054 20.396 1.00 56.48 N ATOM 1514 CA VAL B 64 -3.475 42.651 18.989 1.00 55.29 C ATOM 1515 C VAL B 64 -2.035 42.325 18.611 1.00 55.33 C ATOM 1516 O VAL B 64 -1.107 43.058 18.936 1.00 55.12 O ATOM 1517 CB VAL B 64 -4.061 43.761 18.082 1.00 54.17 C ATOM 1518 CG1 VAL B 64 -3.985 43.350 16.590 1.00 52.48 C ATOM 1519 CG2 VAL B 64 -5.493 44.075 18.514 1.00 53.88 C ATOM 1520 H VAL B 64 -2.868 43.835 20.693 1.00 0.00 H ATOM 1521 N GLU B 65 -1.858 41.199 17.953 1.00 56.64 N ATOM 1522 CA GLU B 65 -0.559 40.758 17.487 1.00 59.38 C ATOM 1523 C GLU B 65 -0.566 40.868 15.955 1.00 60.42 C ATOM 1524 O GLU B 65 -1.180 40.033 15.286 1.00 59.01 O ATOM 1525 CB GLU B 65 -0.375 39.322 17.950 1.00 60.51 C ATOM 1526 CG GLU B 65 1.018 38.913 18.278 1.00 65.97 C ATOM 1527 CD GLU B 65 1.047 37.716 19.238 1.00 71.72 C ATOM 1528 OE1 GLU B 65 1.816 36.768 18.949 1.00 77.25 O ATOM 1529 OE2 GLU B 65 0.312 37.725 20.275 1.00 76.06 O ATOM 1530 H GLU B 65 -2.686 40.600 17.759 1.00 0.00 H ATOM 1531 N ILE B 66 0.090 41.915 15.424 1.00 62.60 N ATOM 1532 CA ILE B 66 0.032 42.286 13.988 1.00 64.48 C ATOM 1533 C ILE B 66 1.371 41.961 13.341 1.00 66.91 C ATOM 1534 O ILE B 66 2.402 42.560 13.701 1.00 67.32 O ATOM 1535 CB ILE B 66 -0.210 43.808 13.761 1.00 64.41 C ATOM 1536 CG1 ILE B 66 -1.462 44.319 14.483 1.00 64.79 C ATOM 1537 CG2 ILE B 66 -0.291 44.133 12.252 1.00 64.45 C ATOM 1538 CD1 ILE B 66 -1.674 45.856 14.327 1.00 64.77 C ATOM 1539 H ILE B 66 0.672 42.499 16.057 1.00 0.00 H ATOM 1540 N CYS B 67 1.371 41.016 12.396 1.00 69.06 N ATOM 1541 CA CYS B 67 2.637 40.468 11.878 1.00 71.63 C ATOM 1542 C CYS B 67 3.570 40.065 13.079 1.00 72.42 C ATOM 1543 O CYS B 67 4.785 40.339 13.088 1.00 73.93 O ATOM 1544 CB CYS B 67 3.291 41.495 10.910 1.00 72.88 C ATOM 1545 SG CYS B 67 4.185 40.832 9.414 1.00 77.97 S ATOM 1546 H CYS B 67 0.467 40.663 12.022 1.00 0.00 H ATOM 1547 N GLY B 68 2.992 39.432 14.105 1.00 71.56 N ATOM 1548 CA GLY B 68 3.776 38.980 15.266 1.00 72.37 C ATOM 1549 C GLY B 68 4.104 40.003 16.363 1.00 72.38 C ATOM 1550 O GLY B 68 4.317 39.596 17.526 1.00 73.82 O ATOM 1551 H GLY B 68 1.967 39.255 14.082 1.00 0.00 H ATOM 1552 N HIS B 69 4.157 41.306 16.009 1.00 71.38 N ATOM 1553 CA HIS B 69 4.460 42.366 16.978 1.00 71.16 C ATOM 1554 C HIS B 69 3.220 42.759 17.780 1.00 69.19 C ATOM 1555 O HIS B 69 2.143 42.986 17.219 1.00 68.20 O ATOM 1556 CB HIS B 69 5.054 43.601 16.290 1.00 72.08 C ATOM 1557 CG HIS B 69 6.537 43.525 16.101 1.00 74.64 C ATOM 1558 ND1 HIS B 69 7.350 42.754 16.904 1.00 76.47 N ATOM 1559 CD2 HIS B 69 7.356 44.148 15.221 1.00 76.63 C ATOM 1560 CE1 HIS B 69 8.603 42.891 16.516 1.00 78.69 C ATOM 1561 NE2 HIS B 69 8.635 43.732 15.498 1.00 78.42 N ATOM 1562 H HIS B 69 3.977 41.566 15.018 1.00 0.00 H ATOM 1563 N LYS B 70 3.383 42.854 19.100 1.00 67.79 N ATOM 1564 CA LYS B 70 2.264 43.128 20.010 1.00 65.31 C ATOM 1565 C LYS B 70 1.981 44.626 20.221 1.00 63.46 C ATOM 1566 O LYS B 70 2.886 45.456 20.464 1.00 64.33 O ATOM 1567 CB LYS B 70 2.479 42.394 21.351 1.00 66.39 C ATOM 1568 CG LYS B 70 2.798 40.923 21.168 1.00 67.34 C ATOM 1569 CD LYS B 70 2.556 40.119 22.422 1.00 71.28 C ATOM 1570 CE LYS B 70 3.118 38.716 22.317 1.00 72.71 C ATOM 1571 NZ LYS B 70 4.576 38.766 22.558 1.00 75.72 N ATOM 1572 HZ1 LYS B 70 5.023 39.379 21.847 1.00 0.00 H ATOM 1573 HZ2 LYS B 70 4.756 39.148 23.509 1.00 0.00 H ATOM 1574 HZ3 LYS B 70 4.971 37.806 22.488 1.00 0.00 H ATOM 1575 H LYS B 70 4.336 42.730 19.499 1.00 0.00 H ATOM 1576 N VAL B 71 0.700 44.954 20.095 1.00 60.59 N ATOM 1577 CA VAL B 71 0.179 46.290 20.341 1.00 59.46 C ATOM 1578 C VAL B 71 -1.102 46.178 21.194 1.00 59.15 C ATOM 1579 O VAL B 71 -1.761 45.138 21.227 1.00 58.00 O ATOM 1580 CB VAL B 71 -0.060 47.103 19.003 1.00 58.40 C ATOM 1581 CG1 VAL B 71 1.247 47.214 18.213 1.00 57.76 C ATOM 1582 CG2 VAL B 71 -1.212 46.504 18.146 1.00 55.52 C ATOM 1583 H VAL B 71 0.031 44.213 19.804 1.00 0.00 H ATOM 1584 N ILE B 72 -1.416 47.238 21.923 1.00 60.35 N ATOM 1585 CA ILE B 72 -2.640 47.302 22.730 1.00 61.54 C ATOM 1586 C ILE B 72 -3.403 48.562 22.318 1.00 61.66 C ATOM 1587 O ILE B 72 -2.814 49.607 22.071 1.00 62.68 O ATOM 1588 CB ILE B 72 -2.355 47.288 24.288 1.00 62.89 C ATOM 1589 CG1 ILE B 72 -1.769 45.942 24.714 1.00 64.06 C ATOM 1590 CG2 ILE B 72 -3.630 47.544 25.071 1.00 63.51 C ATOM 1591 CD1 ILE B 72 -1.735 45.713 26.236 1.00 68.03 C ATOM 1592 H ILE B 72 -0.772 48.055 21.924 1.00 0.00 H ATOM 1593 N GLY B 73 -4.714 48.457 22.208 1.00 62.03 N ATOM 1594 CA GLY B 73 -5.516 49.601 21.824 1.00 62.33 C ATOM 1595 C GLY B 73 -6.987 49.288 21.714 1.00 62.42 C ATOM 1596 O GLY B 73 -7.435 48.179 22.036 1.00 60.57 O ATOM 1597 H GLY B 73 -5.176 47.545 22.399 1.00 0.00 H ATOM 1598 N THR B 74 -7.725 50.278 21.203 1.00 63.35 N ATOM 1599 CA THR B 74 -9.179 50.160 21.023 1.00 63.86 C ATOM 1600 C THR B 74 -9.494 49.469 19.691 1.00 62.31 C ATOM 1601 O THR B 74 -8.979 49.867 18.642 1.00 60.55 O ATOM 1602 CB THR B 74 -9.870 51.547 21.141 1.00 65.10 C ATOM 1603 OG1 THR B 74 -9.746 51.997 22.495 1.00 66.95 O ATOM 1604 CG2 THR B 74 -11.360 51.485 20.763 1.00 65.34 C ATOM 1605 HG1 THR B 74 -8.787 52.074 22.730 1.00 0.00 H ATOM 1606 H THR B 74 -7.254 51.162 20.923 1.00 0.00 H ATOM 1607 N VAL B 75 -10.332 48.438 19.782 1.00 62.44 N ATOM 1608 CA VAL B 75 -10.831 47.674 18.651 1.00 62.10 C ATOM 1609 C VAL B 75 -12.364 47.817 18.577 1.00 63.73 C ATOM 1610 O VAL B 75 -13.070 47.575 19.554 1.00 65.04 O ATOM 1611 CB VAL B 75 -10.457 46.179 18.803 1.00 61.80 C ATOM 1612 CG1 VAL B 75 -11.158 45.319 17.758 1.00 62.27 C ATOM 1613 CG2 VAL B 75 -8.935 45.994 18.726 1.00 60.80 C ATOM 1614 H VAL B 75 -10.653 48.159 20.731 1.00 0.00 H ATOM 1615 N LEU B 76 -12.877 48.238 17.429 1.00 63.57 N ATOM 1616 CA LEU B 76 -14.335 48.302 17.194 1.00 65.57 C ATOM 1617 C LEU B 76 -14.760 47.064 16.402 1.00 65.95 C ATOM 1618 O LEU B 76 -14.109 46.696 15.416 1.00 64.53 O ATOM 1619 CB LEU B 76 -14.728 49.596 16.457 1.00 65.46 C ATOM 1620 CG LEU B 76 -14.193 50.939 16.999 1.00 64.76 C ATOM 1621 CD1 LEU B 76 -14.416 52.110 15.957 1.00 62.39 C ATOM 1622 CD2 LEU B 76 -14.804 51.266 18.387 1.00 66.17 C ATOM 1623 H LEU B 76 -12.232 48.533 16.668 1.00 0.00 H ATOM 1624 N VAL B 77 -15.827 46.402 16.848 1.00 68.37 N ATOM 1625 CA VAL B 77 -16.287 45.172 16.211 1.00 69.72 C ATOM 1626 C VAL B 77 -17.658 45.433 15.626 1.00 72.55 C ATOM 1627 O VAL B 77 -18.485 46.075 16.258 1.00 74.27 O ATOM 1628 CB VAL B 77 -16.347 43.971 17.223 1.00 70.67 C ATOM 1629 CG1 VAL B 77 -16.876 42.711 16.538 1.00 71.53 C ATOM 1630 CG2 VAL B 77 -14.974 43.723 17.846 1.00 68.73 C ATOM 1631 H VAL B 77 -16.345 46.771 17.671 1.00 0.00 H ATOM 1632 N GLY B 78 -17.904 44.941 14.422 1.00 74.20 N ATOM 1633 CA GLY B 78 -19.203 45.128 13.793 1.00 77.77 C ATOM 1634 C GLY B 78 -19.191 44.769 12.331 1.00 78.85 C ATOM 1635 O GLY B 78 -18.135 44.398 11.796 1.00 77.86 O ATOM 1636 H GLY B 78 -17.161 44.415 13.920 1.00 0.00 H ATOM 1637 N PRO B 79 -20.353 44.919 11.657 1.00 82.26 N ATOM 1638 CA PRO B 79 -20.564 44.411 10.292 1.00 82.94 C ATOM 1639 C PRO B 79 -19.710 45.052 9.180 1.00 80.41 C ATOM 1640 O PRO B 79 -20.231 45.312 8.094 1.00 81.90 O ATOM 1641 CB PRO B 79 -22.067 44.647 10.057 1.00 86.42 C ATOM 1642 CG PRO B 79 -22.433 45.727 10.982 1.00 87.34 C ATOM 1643 CD PRO B 79 -21.573 45.558 12.192 1.00 85.02 C ATOM 1644 N THR B 80 -18.410 45.259 9.443 1.00 76.74 N ATOM 1645 CA THR B 80 -17.473 45.807 8.453 1.00 73.88 C ATOM 1646 C THR B 80 -17.258 44.793 7.320 1.00 74.46 C ATOM 1647 O THR B 80 -17.225 43.584 7.572 1.00 75.50 O ATOM 1648 CB THR B 80 -16.082 46.220 9.098 1.00 71.14 C ATOM 1649 OG1 THR B 80 -15.231 46.790 8.091 1.00 67.54 O ATOM 1650 CG2 THR B 80 -15.377 45.026 9.763 1.00 67.39 C ATOM 1651 HG1 THR B 80 -14.366 47.046 8.498 1.00 0.00 H ATOM 1652 H THR B 80 -18.050 45.021 10.389 1.00 0.00 H ATOM 1653 N PRO B 81 -17.151 45.274 6.070 1.00 74.46 N ATOM 1654 CA PRO B 81 -16.836 44.433 4.904 1.00 74.59 C ATOM 1655 C PRO B 81 -15.343 44.057 4.742 1.00 71.86 C ATOM 1656 O PRO B 81 -14.989 43.328 3.811 1.00 72.66 O ATOM 1657 CB PRO B 81 -17.294 45.300 3.731 1.00 75.96 C ATOM 1658 CG PRO B 81 -17.158 46.695 4.236 1.00 75.36 C ATOM 1659 CD PRO B 81 -17.512 46.651 5.667 1.00 75.00 C ATOM 1660 N ALA B 82 -14.483 44.586 5.619 1.00 68.55 N ATOM 1661 CA ALA B 82 -13.091 44.147 5.737 1.00 65.80 C ATOM 1662 C ALA B 82 -12.577 44.441 7.142 1.00 62.76 C ATOM 1663 O ALA B 82 -12.960 45.431 7.775 1.00 62.31 O ATOM 1664 CB ALA B 82 -12.177 44.818 4.655 1.00 65.51 C ATOM 1665 H ALA B 82 -14.818 45.345 6.246 1.00 0.00 H ATOM 1666 N ASN B 83 -11.722 43.561 7.647 1.00 60.95 N ATOM 1667 CA ASN B 83 -10.970 43.873 8.861 1.00 58.41 C ATOM 1668 C ASN B 83 -9.969 44.987 8.466 1.00 55.86 C ATOM 1669 O ASN B 83 -9.275 44.865 7.441 1.00 55.38 O ATOM 1670 CB ASN B 83 -10.248 42.633 9.426 1.00 58.25 C ATOM 1671 CG ASN B 83 -11.216 41.499 9.853 1.00 60.68 C ATOM 1672 OD1 ASN B 83 -12.297 41.733 10.392 1.00 61.95 O ATOM 1673 ND2 ASN B 83 -10.797 40.269 9.624 1.00 60.58 N ATOM 1674 HD22 ASN B 83 -9.877 40.110 9.166 1.00 0.00 H ATOM 1675 HD21 ASN B 83 -11.387 39.459 9.902 1.00 0.00 H ATOM 1676 H ASN B 83 -11.586 42.644 7.176 1.00 0.00 H ATOM 1677 N ILE B 84 -9.936 46.050 9.273 1.00 53.88 N ATOM 1678 CA ILE B 84 -9.194 47.276 9.020 1.00 53.22 C ATOM 1679 C ILE B 84 -8.322 47.558 10.251 1.00 50.56 C ATOM 1680 O ILE B 84 -8.810 47.634 11.363 1.00 49.46 O ATOM 1681 CB ILE B 84 -10.174 48.489 8.811 1.00 54.26 C ATOM 1682 CG1 ILE B 84 -10.892 48.424 7.467 1.00 57.16 C ATOM 1683 CG2 ILE B 84 -9.452 49.829 8.959 1.00 56.11 C ATOM 1684 CD1 ILE B 84 -12.184 49.331 7.454 1.00 59.72 C ATOM 1685 H ILE B 84 -10.485 45.998 10.154 1.00 0.00 H ATOM 1686 N ILE B 85 -7.018 47.684 10.047 1.00 48.57 N ATOM 1687 CA ILE B 85 -6.123 48.200 11.077 1.00 47.02 C ATOM 1688 C ILE B 85 -5.950 49.691 10.799 1.00 47.19 C ATOM 1689 O ILE B 85 -5.455 50.069 9.739 1.00 47.69 O ATOM 1690 CB ILE B 85 -4.736 47.518 11.085 1.00 46.48 C ATOM 1691 CG1 ILE B 85 -4.892 45.991 11.085 1.00 47.19 C ATOM 1692 CG2 ILE B 85 -3.863 48.101 12.280 1.00 44.35 C ATOM 1693 CD1 ILE B 85 -5.712 45.405 12.288 1.00 48.31 C ATOM 1694 H ILE B 85 -6.622 47.407 9.126 1.00 0.00 H ATOM 1695 N GLY B 86 -6.369 50.519 11.747 1.00 47.67 N ATOM 1696 CA GLY B 86 -6.319 51.958 11.617 1.00 47.86 C ATOM 1697 C GLY B 86 -5.139 52.570 12.329 1.00 48.20 C ATOM 1698 O GLY B 86 -4.323 51.877 12.945 1.00 47.66 O ATOM 1699 H GLY B 86 -6.751 50.114 12.625 1.00 0.00 H ATOM 1700 N ARG B 87 -5.044 53.886 12.231 1.00 48.79 N ATOM 1701 CA ARG B 87 -3.878 54.624 12.744 1.00 49.80 C ATOM 1702 C ARG B 87 -3.626 54.486 14.254 1.00 51.08 C ATOM 1703 O ARG B 87 -2.467 54.590 14.674 1.00 51.72 O ATOM 1704 CB ARG B 87 -3.940 56.100 12.345 1.00 50.13 C ATOM 1705 CG ARG B 87 -3.755 56.301 10.832 1.00 48.44 C ATOM 1706 CD ARG B 87 -3.828 57.780 10.401 1.00 48.32 C ATOM 1707 NE ARG B 87 -5.067 58.429 10.854 1.00 48.37 N ATOM 1708 CZ ARG B 87 -5.190 59.167 11.963 1.00 52.03 C ATOM 1709 NH1 ARG B 87 -6.359 59.678 12.278 1.00 54.66 N ATOM 1710 NH2 ARG B 87 -4.167 59.405 12.768 1.00 51.98 N ATOM 1711 HE ARG B 87 -5.915 58.304 10.265 1.00 0.00 H ATOM 1712 HH12 ARG B 87 -6.460 60.253 13.139 1.00 0.00 H ATOM 1713 HH11 ARG B 87 -7.183 59.508 11.666 1.00 0.00 H ATOM 1714 HH22 ARG B 87 -4.301 59.984 13.622 1.00 0.00 H ATOM 1715 HH21 ARG B 87 -3.229 59.013 12.547 1.00 0.00 H ATOM 1716 H ARG B 87 -5.816 54.415 11.778 1.00 0.00 H ATOM 1717 N ASN B 88 -4.680 54.271 15.050 1.00 51.69 N ATOM 1718 CA ASN B 88 -4.509 53.959 16.479 1.00 52.96 C ATOM 1719 C ASN B 88 -3.567 52.757 16.757 1.00 52.76 C ATOM 1720 O ASN B 88 -2.851 52.740 17.770 1.00 54.27 O ATOM 1721 CB ASN B 88 -5.877 53.802 17.190 1.00 53.79 C ATOM 1722 CG ASN B 88 -6.552 52.477 16.914 1.00 53.25 C ATOM 1723 OD1 ASN B 88 -6.805 52.133 15.774 1.00 53.35 O ATOM 1724 ND2 ASN B 88 -6.866 51.731 17.969 1.00 52.61 N ATOM 1725 HD22 ASN B 88 -6.632 52.061 18.927 1.00 0.00 H ATOM 1726 HD21 ASN B 88 -7.345 50.818 17.836 1.00 0.00 H ATOM 1727 H ASN B 88 -5.639 54.325 14.651 1.00 0.00 H ATOM 1728 N LEU B 89 -3.543 51.766 15.854 1.00 51.83 N ATOM 1729 CA LEU B 89 -2.650 50.616 15.999 1.00 50.95 C ATOM 1730 C LEU B 89 -1.425 50.722 15.090 1.00 50.83 C ATOM 1731 O LEU B 89 -0.356 50.245 15.468 1.00 51.69 O ATOM 1732 CB LEU B 89 -3.408 49.289 15.794 1.00 50.49 C ATOM 1733 CG LEU B 89 -4.566 49.010 16.768 1.00 52.52 C ATOM 1734 CD1 LEU B 89 -5.056 47.555 16.658 1.00 52.90 C ATOM 1735 CD2 LEU B 89 -4.195 49.360 18.246 1.00 50.87 C ATOM 1736 H LEU B 89 -4.175 51.816 15.030 1.00 0.00 H ATOM 1737 N LEU B 90 -1.564 51.368 13.924 1.00 49.27 N ATOM 1738 CA LEU B 90 -0.451 51.514 12.963 1.00 49.23 C ATOM 1739 C LEU B 90 0.718 52.336 13.567 1.00 50.63 C ATOM 1740 O LEU B 90 1.879 52.023 13.308 1.00 50.15 O ATOM 1741 CB LEU B 90 -0.921 52.132 11.652 1.00 47.88 C ATOM 1742 CG LEU B 90 -1.878 51.318 10.735 1.00 46.07 C ATOM 1743 CD1 LEU B 90 -2.387 52.197 9.609 1.00 43.28 C ATOM 1744 CD2 LEU B 90 -1.189 50.049 10.198 1.00 42.77 C ATOM 1745 H LEU B 90 -2.488 51.781 13.687 1.00 0.00 H ATOM 1746 N THR B 91 0.405 53.338 14.397 1.00 51.99 N ATOM 1747 CA THR B 91 1.444 54.126 15.075 1.00 54.94 C ATOM 1748 C THR B 91 2.313 53.279 16.009 1.00 57.50 C ATOM 1749 O THR B 91 3.519 53.540 16.133 1.00 59.25 O ATOM 1750 CB THR B 91 0.853 55.324 15.888 1.00 56.06 C ATOM 1751 OG1 THR B 91 -0.260 54.882 16.694 1.00 55.19 O ATOM 1752 CG2 THR B 91 0.417 56.446 14.945 1.00 54.25 C ATOM 1753 HG1 THR B 91 -0.965 54.511 16.106 1.00 0.00 H ATOM 1754 H THR B 91 -0.596 53.564 14.566 1.00 0.00 H ATOM 1755 N GLN B 92 1.693 52.279 16.657 1.00 58.83 N ATOM 1756 CA GLN B 92 2.369 51.360 17.611 1.00 60.85 C ATOM 1757 C GLN B 92 3.249 50.278 16.990 1.00 61.23 C ATOM 1758 O GLN B 92 4.049 49.637 17.688 1.00 62.48 O ATOM 1759 CB GLN B 92 1.335 50.668 18.492 1.00 60.79 C ATOM 1760 CG GLN B 92 0.608 51.623 19.388 1.00 63.57 C ATOM 1761 CD GLN B 92 -0.281 50.879 20.321 1.00 67.46 C ATOM 1762 OE1 GLN B 92 0.197 50.143 21.223 1.00 73.45 O ATOM 1763 NE2 GLN B 92 -1.586 51.028 20.123 1.00 68.99 N ATOM 1764 HE22 GLN B 92 -1.929 51.649 19.363 1.00 0.00 H ATOM 1765 HE21 GLN B 92 -2.265 50.524 20.728 1.00 0.00 H ATOM 1766 H GLN B 92 0.678 52.139 16.481 1.00 0.00 H ATOM 1767 N ILE B 93 3.065 50.041 15.696 1.00 60.80 N ATOM 1768 CA ILE B 93 3.956 49.159 14.979 1.00 61.99 C ATOM 1769 C ILE B 93 4.989 49.964 14.199 1.00 62.93 C ATOM 1770 O ILE B 93 5.701 49.404 13.371 1.00 64.96 O ATOM 1771 CB ILE B 93 3.188 48.104 14.115 1.00 60.83 C ATOM 1772 CG1 ILE B 93 2.276 48.742 13.058 1.00 59.13 C ATOM 1773 CG2 ILE B 93 2.373 47.169 15.042 1.00 61.41 C ATOM 1774 CD1 ILE B 93 1.804 47.741 11.955 1.00 57.60 C ATOM 1775 H ILE B 93 2.274 50.494 15.196 1.00 0.00 H ATOM 1776 N GLY B 94 5.078 51.271 14.465 1.00 63.50 N ATOM 1777 CA GLY B 94 6.036 52.141 13.782 1.00 64.36 C ATOM 1778 C GLY B 94 5.782 52.286 12.288 1.00 63.61 C ATOM 1779 O GLY B 94 6.724 52.467 11.508 1.00 64.85 O ATOM 1780 H GLY B 94 4.446 51.683 15.181 1.00 0.00 H ATOM 1781 N CYS B 95 4.510 52.235 11.881 1.00 61.83 N ATOM 1782 CA CYS B 95 4.152 52.273 10.454 1.00 60.63 C ATOM 1783 C CYS B 95 4.308 53.676 9.854 1.00 60.40 C ATOM 1784 O CYS B 95 3.894 54.690 10.460 1.00 60.03 O ATOM 1785 CB CYS B 95 2.719 51.756 10.245 1.00 59.02 C ATOM 1786 SG CYS B 95 2.286 51.474 8.521 1.00 61.68 S ATOM 1787 H CYS B 95 3.753 52.167 12.591 1.00 0.00 H ATOM 1788 N THR B 96 4.938 53.723 8.676 1.00 59.87 N ATOM 1789 CA THR B 96 5.106 54.960 7.928 1.00 60.23 C ATOM 1790 C THR B 96 4.767 54.749 6.437 1.00 58.92 C ATOM 1791 O THR B 96 4.934 53.665 5.872 1.00 58.18 O ATOM 1792 CB THR B 96 6.565 55.542 8.014 1.00 61.80 C ATOM 1793 OG1 THR B 96 7.474 54.635 7.380 1.00 63.73 O ATOM 1794 CG2 THR B 96 7.019 55.819 9.454 1.00 62.63 C ATOM 1795 HG1 THR B 96 7.438 53.759 7.839 1.00 0.00 H ATOM 1796 H THR B 96 5.323 52.842 8.279 1.00 0.00 H ATOM 1797 N LEU B 97 4.291 55.812 5.816 1.00 59.15 N ATOM 1798 CA LEU B 97 4.075 55.838 4.369 1.00 59.55 C ATOM 1799 C LEU B 97 5.325 56.468 3.779 1.00 61.81 C ATOM 1800 O LEU B 97 5.809 57.489 4.290 1.00 63.00 O ATOM 1801 CB LEU B 97 2.879 56.716 4.032 1.00 58.74 C ATOM 1802 CG LEU B 97 1.512 56.095 4.145 1.00 57.27 C ATOM 1803 CD1 LEU B 97 0.451 57.206 4.208 1.00 54.06 C ATOM 1804 CD2 LEU B 97 1.316 55.183 2.955 1.00 56.59 C ATOM 1805 H LEU B 97 4.062 56.659 6.374 1.00 0.00 H ATOM 1806 N ASN B 98 5.875 55.840 2.749 1.00 63.54 N ATOM 1807 CA ASN B 98 7.024 56.397 2.048 1.00 66.23 C ATOM 1808 C ASN B 98 6.686 56.506 0.574 1.00 66.87 C ATOM 1809 O ASN B 98 6.312 55.536 -0.068 1.00 65.48 O ATOM 1810 CB ASN B 98 8.278 55.541 2.209 1.00 67.72 C ATOM 1811 CG ASN B 98 8.616 55.236 3.661 1.00 70.39 C ATOM 1812 OD1 ASN B 98 9.574 55.774 4.203 1.00 73.91 O ATOM 1813 ND2 ASN B 98 7.839 54.343 4.288 1.00 72.17 N ATOM 1814 HD22 ASN B 98 7.036 53.911 3.788 1.00 0.00 H ATOM 1815 HD21 ASN B 98 8.039 54.082 5.274 1.00 0.00 H ATOM 1816 H ASN B 98 5.478 54.931 2.435 1.00 0.00 H ATOM 1817 N PHE B 99 6.851 57.703 0.044 1.00 69.33 N ATOM 1818 CA PHE B 99 6.592 57.957 -1.359 1.00 70.64 C ATOM 1819 C PHE B 99 7.627 58.985 -1.795 1.00 73.41 C ATOM 1820 O PHE B 99 7.817 60.020 -1.134 1.00 74.84 O ATOM 1821 CB PHE B 99 5.138 58.417 -1.580 1.00 69.55 C ATOM 1822 CG PHE B 99 4.702 59.549 -0.688 1.00 71.00 C ATOM 1823 CD1 PHE B 99 4.451 59.335 0.668 1.00 73.04 C ATOM 1824 CD2 PHE B 99 4.527 60.832 -1.208 1.00 73.95 C ATOM 1825 CE1 PHE B 99 4.050 60.385 1.497 1.00 74.47 C ATOM 1826 CE2 PHE B 99 4.126 61.888 -0.395 1.00 75.00 C ATOM 1827 CZ PHE B 99 3.886 61.668 0.960 1.00 75.78 C ATOM 1828 OXT PHE B 99 8.359 58.757 -2.774 1.00 75.90 O ATOM 1829 H PHE B 99 7.175 58.484 0.649 1.00 0.00 H TER 1830 PHE B 99 HETATM 1831 O HOH 1 5.151 51.181 -6.447 1.00 62.95 O HETATM 1832 O HOH 2 -25.197 57.002 -3.518 1.00 81.81 O HETATM 1833 O HOH 3 -6.317 48.482 -0.385 1.00 48.33 O HETATM 1834 O HOH 4 -9.240 47.691 -0.129 1.00 58.22 O HETATM 1835 O HOH 5 5.134 62.900 9.602 1.00 74.12 O HETATM 1836 O HOH 6 0.841 63.820 7.868 1.00 63.49 O HETATM 1837 O HOH 7 4.165 65.250 2.946 1.00101.04 O HETATM 1838 O HOH 8 -3.938 48.880 -8.023 1.00 79.14 O HETATM 1839 O HOH 9 -6.234 54.085 -12.483 1.00 66.30 O HETATM 1840 O HOH 10 -5.435 65.122 11.751 1.00 67.70 O HETATM 1841 O HOH 11 -9.044 75.369 -6.178 1.00 69.21 O HETATM 1842 O HOH 12 -3.900 70.884 -13.072 1.00 55.88 O HETATM 1843 O HOH 13 -10.806 66.049 2.249 1.00 70.48 O HETATM 1844 O HOH 14 -31.012 53.831 -8.985 1.00104.20 O HETATM 1845 O HOH 15 0.313 61.452 8.526 1.00 58.27 O HETATM 1846 O HOH 16 2.022 61.997 11.833 1.00 70.30 O HETATM 1847 O HOH 17 -3.209 65.868 9.107 1.00 70.99 O HETATM 1848 O HOH 18 5.796 63.076 -12.518 1.00 71.86 O HETATM 1849 O HOH 19 -11.147 61.141 7.809 1.00 70.27 O HETATM 1850 O HOH 20 -26.407 52.331 1.039 1.00 80.96 O HETATM 1851 O HOH 21 -10.374 55.409 -8.901 1.00 57.46 O HETATM 1852 O HOH 22 -13.825 63.344 10.948 1.00 79.84 O HETATM 1853 O HOH 23 9.428 45.944 11.505 1.00 74.72 O HETATM 1854 O HOH 24 -2.765 68.002 7.097 1.00 76.41 O HETATM 1855 O HOH 25 -7.979 61.277 14.767 1.00 81.62 O HETATM 1856 O HOH 26 -6.466 65.242 -16.998 1.00 71.12 O HETATM 1857 O HOH 27 -3.485 68.424 -12.391 1.00 73.07 O HETATM 1858 O HOH 28 9.146 52.836 8.891 1.00 70.16 O HETATM 1859 O HOH 29 3.371 56.285 12.475 1.00 56.88 O HETATM 1860 O HOH 30 5.735 55.823 14.004 1.00 70.88 O HETATM 1861 O HOH 31 0.289 38.286 13.753 1.00 69.47 O HETATM 1862 O HOH 32 -3.085 38.432 20.498 1.00 67.16 O HETATM 1863 O HOH 33 -5.334 38.613 24.661 1.00 69.72 O HETATM 1864 O HOH 34 -6.608 41.531 25.085 1.00 72.78 O HETATM 1865 O HOH 35 -8.507 31.331 14.369 1.00 67.56 O HETATM 1866 O HOH 36 -11.175 32.123 14.576 1.00 85.25 O HETATM 1867 O HOH 37 -15.872 34.396 17.448 1.00 93.71 O HETATM 1868 O HOH 38 -17.508 35.375 23.694 1.00131.43 O HETATM 1869 O HOH 39 -18.222 40.892 24.657 1.00101.01 O HETATM 1870 O HOH 40 -22.390 50.114 27.445 1.00127.02 O HETATM 1871 O HOH 41 -14.838 41.593 32.270 1.00 95.76 O HETATM 1872 O HOH 42 -10.426 51.468 17.045 1.00 56.93 O HETATM 1873 O HOH 43 -12.243 54.507 18.899 1.00 74.16 O HETATM 1874 O HOH 44 -12.809 38.136 10.771 1.00 79.34 O HETATM 1875 O HOH 45 -10.561 40.827 5.994 1.00 68.51 O HETATM 1876 O HOH 46 -9.444 36.681 7.745 1.00 59.67 O HETATM 1877 O HOH 47 -0.923 38.175 5.210 1.00 72.67 O HETATM 1878 O HOH 48 1.544 39.187 7.891 1.00 63.36 O HETATM 1879 O HOH 49 -3.063 41.312 -0.974 1.00 69.86 O HETATM 1880 O HOH 50 0.040 45.528 -0.454 1.00 60.50 O HETATM 1881 O HOH 51 5.353 44.027 -1.165 1.00 76.01 O HETATM 1882 O HOH 52 5.322 38.705 25.230 1.00 69.57 O HETATM 1883 O HOH 53 -15.775 53.446 4.081 1.00 47.56 O HETATM 1884 O HOH 54 -16.488 57.693 12.344 1.00 69.29 O HETATM 1885 O HOH 55 7.257 61.281 -4.079 1.00 87.36 O HETATM 1886 O HOH 56 -6.321 58.524 8.525 1.00 47.75 O HETATM 1887 O HOH 57 -9.133 59.267 8.212 1.00 53.51 O HETATM 1888 O HOH 58 -6.208 52.703 20.523 1.00 56.92 O HETATM 1889 O HOH 59 -6.197 57.235 15.549 1.00 73.43 O HETATM 1890 O HOH 60 -25.311 49.922 11.682 1.00 79.35 O HETATM 1891 O HOH 61 -5.379 41.891 -3.685 1.00 64.24 O HETATM 1892 O HOH 62 -3.725 58.422 16.227 1.00 76.92 O HETATM 1893 O HOH 63 -25.964 54.639 6.909 1.00 78.60 O HETATM 1894 O HOH 64 -14.436 48.341 26.659 1.00 84.53 O HETATM 1895 O HOH 65 11.047 42.074 14.914 1.00 86.02 O HETATM 1896 O HOH 66 -11.216 45.782 0.395 1.00 70.04 O HETATM 1897 O HOH 67 -18.943 41.306 8.968 1.00 90.60 O HETATM 1898 O HOH 68 1.901 44.999 -3.903 1.00 76.02 O HETATM 1899 O HOH 69 -7.772 51.000 24.345 1.00 82.60 O HETATM 1900 O HOH 70 -17.099 37.486 11.161 1.00103.29 O HETATM 1901 O HOH 71 -5.057 52.312 24.662 1.00 83.06 O HETATM 1902 O HOH 72 -22.390 45.763 16.571 1.00 84.71 O HETATM 1903 O HOH 73 -10.995 49.062 -1.262 1.00 62.35 O HETATM 1904 O HOH 74 -11.073 57.773 9.088 1.00 80.53 O HETATM 1905 N KGQ A 75 -11.856 52.458 2.311 1.00 -0.26 N HETATM 1906 C6 KGQ A 75 -11.946 52.551 3.802 1.00 0.08 C HETATM 1907 C8 KGQ A 75 -11.540 51.158 4.360 1.00 0.00 C HETATM 1908 C9 KGQ A 75 -12.427 50.051 3.758 1.00 -0.05 C HETATM 1909 C11 KGQ A 75 -11.869 48.990 3.026 1.00 -0.07 C HETATM 1910 C13 KGQ A 75 -12.679 48.005 2.467 1.00 -0.04 C HETATM 1911 C14 KGQ A 75 -14.062 48.088 2.633 1.00 0.09 C HETATM 1912 O KGQ A 75 -14.872 47.144 2.077 1.00 -0.30 O HETATM 1913 C15 KGQ A 75 -15.851 47.839 1.298 1.00 0.19 C HETATM 1914 P KGQ A 75 -16.700 46.630 0.205 1.00 0.30 P HETATM 1915 O3 KGQ A 75 -18.327 46.804 0.277 1.00 -0.23 O HETATM 1916 C18 KGQ A 75 -19.218 46.068 1.140 1.00 0.09 C HETATM 1917 C19 KGQ A 75 -20.097 47.059 1.953 1.00 -0.04 C HETATM 1918 H KGQ A 75 -20.775 46.494 2.610 1.00 0.03 H HETATM 1919 H KGQ A 75 -20.688 47.678 1.261 1.00 0.03 H HETATM 1920 H KGQ A 75 -19.451 47.707 2.563 1.00 0.03 H HETATM 1921 H KGQ A 75 -18.628 45.450 1.833 1.00 0.06 H HETATM 1922 H KGQ A 75 -19.865 45.420 0.530 1.00 0.06 H HETATM 1923 O2 KGQ A 75 -16.217 47.106 -1.270 1.00 -0.53 O HETATM 1924 O1 KGQ A 75 -16.084 45.144 0.405 1.00 -0.23 O HETATM 1925 C16 KGQ A 75 -14.843 44.811 -0.245 1.00 0.09 C HETATM 1926 C17 KGQ A 75 -14.570 43.307 -0.126 1.00 -0.04 C HETATM 1927 H KGQ A 75 -13.620 43.066 -0.626 1.00 0.03 H HETATM 1928 H KGQ A 75 -15.388 42.747 -0.603 1.00 0.03 H HETATM 1929 H KGQ A 75 -14.506 43.029 0.936 1.00 0.03 H HETATM 1930 H KGQ A 75 -14.023 45.368 0.231 1.00 0.06 H HETATM 1931 H KGQ A 75 -14.904 45.086 -1.308 1.00 0.06 H HETATM 1932 H KGQ A 75 -15.359 48.609 0.686 1.00 0.09 H HETATM 1933 H KGQ A 75 -16.585 48.315 1.965 1.00 0.09 H HETATM 1934 C12 KGQ A 75 -14.623 49.148 3.346 1.00 -0.04 C HETATM 1935 C10 KGQ A 75 -13.808 50.121 3.922 1.00 -0.07 C HETATM 1936 H KGQ A 75 -14.248 50.929 4.495 1.00 0.05 H HETATM 1937 H KGQ A 75 -15.700 49.215 3.453 1.00 0.05 H HETATM 1938 H KGQ A 75 -12.241 47.184 1.910 1.00 0.05 H HETATM 1939 H KGQ A 75 -10.794 48.937 2.895 1.00 0.05 H HETATM 1940 H KGQ A 75 -11.656 51.159 5.454 1.00 0.04 H HETATM 1941 H KGQ A 75 -10.489 50.958 4.103 1.00 0.04 H HETATM 1942 C7 KGQ A 75 -10.919 53.574 4.266 1.00 0.10 C HETATM 1943 O8 KGQ A 75 -9.688 52.854 4.221 1.00 -0.39 O HETATM 1944 H KGQ A 75 -8.979 53.423 4.499 1.00 0.21 H HETATM 1945 C20 KGQ A 75 -11.129 54.159 5.694 1.00 0.06 C HETATM 1946 N1 KGQ A 75 -12.362 54.988 5.871 1.00 -0.23 N HETATM 1947 C21 KGQ A 75 -12.877 55.439 4.551 1.00 0.03 C HETATM 1948 C22 KGQ A 75 -12.664 56.936 4.305 1.00 -0.03 C HETATM 1949 C30 KGQ A 75 -11.173 57.240 4.188 1.00 -0.06 C HETATM 1950 H KGQ A 75 -11.031 58.316 4.012 1.00 0.02 H HETATM 1951 H KGQ A 75 -10.748 56.672 3.348 1.00 0.02 H HETATM 1952 H KGQ A 75 -10.666 56.951 5.120 1.00 0.02 H HETATM 1953 C29 KGQ A 75 -13.308 57.764 5.416 1.00 -0.06 C HETATM 1954 H KGQ A 75 -14.380 57.525 5.477 1.00 0.02 H HETATM 1955 H KGQ A 75 -13.183 58.834 5.195 1.00 0.02 H HETATM 1956 H KGQ A 75 -12.825 57.529 6.376 1.00 0.02 H HETATM 1957 H KGQ A 75 -13.147 57.203 3.354 1.00 0.03 H HETATM 1958 H KGQ A 75 -13.955 55.226 4.504 1.00 0.05 H HETATM 1959 H KGQ A 75 -12.357 54.877 3.761 1.00 0.05 H HETATM 1960 S KGQ A 75 -13.538 54.111 6.767 1.00 0.07 S HETATM 1961 O10 KGQ A 75 -14.937 54.479 6.346 1.00 -0.15 O HETATM 1962 O9 KGQ A 75 -13.350 52.605 6.682 1.00 -0.15 O HETATM 1963 C23 KGQ A 75 -13.309 54.419 8.519 1.00 0.10 C HETATM 1964 C28 KGQ A 75 -12.394 53.636 9.243 1.00 -0.04 C HETATM 1965 C27 KGQ A 75 -12.199 53.887 10.600 1.00 -0.03 C HETATM 1966 C26 KGQ A 75 -12.928 54.905 11.237 1.00 0.09 C HETATM 1967 O5 KGQ A 75 -12.768 55.163 12.572 1.00 -0.32 O HETATM 1968 C31 KGQ A 75 -12.976 56.549 12.854 1.00 0.06 C HETATM 1969 H KGQ A 75 -12.842 56.728 13.931 1.00 0.06 H HETATM 1970 H KGQ A 75 -13.997 56.834 12.559 1.00 0.06 H HETATM 1971 H KGQ A 75 -12.250 57.151 12.289 1.00 0.06 H HETATM 1972 C25 KGQ A 75 -13.834 55.667 10.519 1.00 -0.03 C HETATM 1973 C24 KGQ A 75 -14.027 55.429 9.158 1.00 -0.04 C HETATM 1974 H KGQ A 75 -14.735 56.029 8.598 1.00 0.06 H HETATM 1975 H KGQ A 75 -14.395 56.450 11.016 1.00 0.05 H HETATM 1976 H KGQ A 75 -11.485 53.297 11.164 1.00 0.05 H HETATM 1977 H KGQ A 75 -11.844 52.843 8.750 1.00 0.06 H HETATM 1978 H KGQ A 75 -10.259 54.788 5.935 1.00 0.05 H HETATM 1979 H KGQ A 75 -11.181 53.318 6.401 1.00 0.05 H HETATM 1980 H KGQ A 75 -10.900 54.413 3.555 1.00 0.06 H HETATM 1981 H KGQ A 75 -12.959 52.832 4.127 1.00 0.06 H HETATM 1982 C4 KGQ A 75 -12.753 52.858 1.386 1.00 0.32 C HETATM 1983 O7 KGQ A 75 -13.875 53.364 1.596 1.00 -0.38 O HETATM 1984 O6 KGQ A 75 -12.354 52.603 0.088 1.00 -0.26 O HETATM 1985 C5 KGQ A 75 -13.438 52.453 -0.874 1.00 0.12 C HETATM 1986 C KGQ A 75 -13.677 51.018 -1.399 1.00 0.04 C HETATM 1987 C32 KGQ A 75 -12.593 50.815 -2.457 1.00 0.16 C HETATM 1988 O4 KGQ A 75 -12.045 52.152 -2.724 1.00 -0.35 O HETATM 1989 C3 KGQ A 75 -12.947 53.128 -2.136 1.00 0.08 C HETATM 1990 H KGQ A 75 -12.414 54.061 -1.899 1.00 0.06 H HETATM 1991 H KGQ A 75 -13.785 53.346 -2.815 1.00 0.06 H HETATM 1992 O11 KGQ A 75 -11.590 49.951 -1.831 1.00 -0.35 O HETATM 1993 C2 KGQ A 75 -12.275 49.099 -0.882 1.00 0.05 C HETATM 1994 C1 KGQ A 75 -13.450 49.902 -0.365 1.00 -0.02 C HETATM 1995 H KGQ A 75 -14.344 49.266 -0.284 1.00 0.03 H HETATM 1996 H KGQ A 75 -13.217 50.333 0.620 1.00 0.03 H HETATM 1997 H KGQ A 75 -11.602 48.832 -0.054 1.00 0.06 H HETATM 1998 H KGQ A 75 -12.628 48.183 -1.378 1.00 0.06 H HETATM 1999 H KGQ A 75 -12.989 50.359 -3.376 1.00 0.09 H HETATM 2000 H KGQ A 75 -14.689 50.935 -1.823 1.00 0.04 H HETATM 2001 H KGQ A 75 -14.365 52.891 -0.475 1.00 0.07 H HETATM 2002 H KGQ A 75 -11.019 52.044 1.952 1.00 0.19 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 916 917 922 923 924 CONECT 923 916 CONECT 924 916 CONECT 1905 1906 1982 2002 CONECT 1906 1905 1907 1942 1981 CONECT 1907 1906 1908 1940 1941 CONECT 1908 1907 1909 1935 CONECT 1909 1908 1910 1939 CONECT 1910 1909 1911 1938 CONECT 1911 1910 1912 1934 CONECT 1912 1911 1913 CONECT 1913 1912 1914 1932 1933 CONECT 1914 1913 1915 1923 1924 CONECT 1915 1914 1916 CONECT 1916 1915 1917 1921 1922 CONECT 1917 1916 1918 1919 1920 CONECT 1918 1917 CONECT 1919 1917 CONECT 1920 1917 CONECT 1921 1916 CONECT 1922 1916 CONECT 1923 1914 CONECT 1924 1914 1925 CONECT 1925 1924 1926 1930 1931 CONECT 1926 1925 1927 1928 1929 CONECT 1927 1926 CONECT 1928 1926 CONECT 1929 1926 CONECT 1930 1925 CONECT 1931 1925 CONECT 1932 1913 CONECT 1933 1913 CONECT 1934 1911 1935 1937 CONECT 1935 1908 1934 1936 CONECT 1936 1935 CONECT 1937 1934 CONECT 1938 1910 CONECT 1939 1909 CONECT 1940 1907 CONECT 1941 1907 CONECT 1942 1906 1943 1945 1980 CONECT 1943 1942 1944 CONECT 1944 1943 CONECT 1945 1942 1946 1978 1979 CONECT 1946 1945 1947 1960 CONECT 1947 1946 1948 1958 1959 CONECT 1948 1947 1949 1953 1957 CONECT 1949 1948 1950 1951 1952 CONECT 1950 1949 CONECT 1951 1949 CONECT 1952 1949 CONECT 1953 1948 1954 1955 1956 CONECT 1954 1953 CONECT 1955 1953 CONECT 1956 1953 CONECT 1957 1948 CONECT 1958 1947 CONECT 1959 1947 CONECT 1960 1946 1961 1962 1963 CONECT 1961 1960 CONECT 1962 1960 CONECT 1963 1960 1964 1973 CONECT 1964 1963 1965 1977 CONECT 1965 1964 1966 1976 CONECT 1966 1965 1967 1972 CONECT 1967 1966 1968 CONECT 1968 1967 1969 1970 1971 CONECT 1969 1968 CONECT 1970 1968 CONECT 1971 1968 CONECT 1972 1966 1973 1975 CONECT 1973 1963 1972 1974 CONECT 1974 1973 CONECT 1975 1972 CONECT 1976 1965 CONECT 1977 1964 CONECT 1978 1945 CONECT 1979 1945 CONECT 1980 1942 CONECT 1981 1906 CONECT 1982 1905 1983 1984 CONECT 1983 1982 CONECT 1984 1982 1985 CONECT 1985 1984 1986 1989 2001 CONECT 1986 1985 1987 1994 2000 CONECT 1987 1986 1988 1992 1999 CONECT 1988 1987 1989 CONECT 1989 1985 1988 1990 1991 CONECT 1990 1989 CONECT 1991 1989 CONECT 1992 1987 1993 CONECT 1993 1992 1994 1997 1998 CONECT 1994 1986 1993 1995 1996 CONECT 1995 1994 CONECT 1996 1994 CONECT 1997 1993 CONECT 1998 1993 CONECT 1999 1987 CONECT 2000 1986 CONECT 2001 1985 CONECT 2002 1905 MASTER 0 0 0 0 0 0 0 0 2000 2 104 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4m8x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2rkf
RCSB PDB
PDBbind
99aa, >2RKF_1|Chains... at 100%
2rkg
RCSB PDB
PDBbind
100aa, >2RKG_1|Chains... *
4m8y
RCSB PDB
PDBbind
100aa, >4M8Y_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2i4w
RCSB PDB
PDBbind
KGQ
2i4x
RCSB PDB
PDBbind
KGQ
4m8y
RCSB PDB
PDBbind
KGQ
Entry Information
PDB ID
4m8x
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
HIV-1 Protease, PR2 (VPR2)
Ligand Name
KGQ
EC.Number
E.C.3.4.23.16
Resolution
2.05(Å)
Affinity (Kd/Ki/IC50)
Ki=0.063nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Virol. Vol. 88: pp. 3586-3590
Ligand Properties
Formula
C
3
3
H
4
9
N
2
O
1
2
PS
Molecular Weight
728.787
Exact Mass
728.274
No. of atoms
98
No. of bonds
101
Polar Surface Area
186.58
LOGP Value
3.64 (
Computed with XLOGP3
)
5.88 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 4
Canonical SMILES
CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(S(=O)(=O)c1ccc(cc1)OC)CC(C)C)O)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)OCC
InChI String
InChI=1S/C33H49N2O12PS/c1-6-45-48(38,46-7-2)22-44-26-10-8-24(9-11-26)18-29(34-33(37)47-31-21-43-32-28(31)16-17-42-32)30(36)20-35(19-23(3)4)49(39,40)27-14-12-25(41-5)13-15-27/h8-15,23,28-32,36H,6-7,16-22H2,1-5H3,(H,34,37)/t28-,29-,30+,31-,32+/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):
Q90JJ9
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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