Browse entries in the PDBbind-CN Database
HEADER 5ZOB_COMPLEX COMPND 5ZOB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 39 ASP MET TYR ILE GLU ARG ALA GLY ASP ILE THR TRP GLU SEQRES 2 A 39 LYS ASP ALA GLU VAL THR GLY ASN SER PRO ARG LEU ASP SEQRES 3 A 39 VAL ALA LEU ASP GLU SER GLY ASP PHE SER LEU VAL GLU SEQRES 1 B 156 LYS GLY GLU THR THR ASP GLY VAL TYR ARG VAL MET THR SEQRES 2 B 156 ARG ARG LEU LEU GLY SER THR GLN VAL GLY VAL GLY VAL SEQRES 3 B 156 MET GLN GLU GLY VAL PHE HIS THR MET TRP HIS VAL THR SEQRES 4 B 156 LYS GLY ALA ALA LEU ARG SER GLY GLU GLY ARG LEU ASP SEQRES 5 B 156 PRO TYR TRP GLY ASP VAL LYS GLN ASP LEU VAL SER TYR SEQRES 6 B 156 CYS GLY PRO TRP LYS LEU ASP ALA ALA TRP ASP GLY LEU SEQRES 7 B 156 SER GLU VAL GLN LEU LEU ALA VAL PRO PRO GLY GLU ARG SEQRES 8 B 156 ALA LYS ASN ILE GLN THR LEU PRO GLY ILE PHE LYS THR SEQRES 9 B 156 LYS ASP GLY ASP ILE GLY ALA VAL ALA LEU ASP TYR PRO SEQRES 10 B 156 ALA GLY THR SER GLY SER PRO ILE LEU ASP LYS CYS GLY SEQRES 11 B 156 ARG VAL ILE GLY LEU TYR GLY ASN GLY VAL VAL ILE LYS SEQRES 12 B 156 ASN GLY SER TYR VAL SER ALA ILE THR GLN GLY LYS ARG HET UNN A 262 121 ATOM 1 N ASP A 50 13.705 2.595 33.592 1.00 30.89 N ATOM 2 CA ASP A 50 12.789 1.621 34.173 1.00 32.33 C ATOM 3 C ASP A 50 12.242 2.119 35.507 1.00 29.94 C ATOM 4 O ASP A 50 12.933 2.084 36.525 1.00 28.01 O ATOM 5 CB ASP A 50 13.486 0.271 34.356 1.00 37.61 C ATOM 6 HN3 ASP A 50 14.501 2.752 34.243 1.00 0.00 H ATOM 7 HN2 ASP A 50 13.202 3.491 33.435 1.00 0.00 H ATOM 8 HN1 ASP A 50 14.064 2.234 32.685 1.00 0.00 H ATOM 9 N MET A 51 10.997 2.583 35.491 1.00 28.27 N ATOM 10 CA MET A 51 10.369 3.128 36.687 1.00 26.58 C ATOM 11 C MET A 51 9.210 2.260 37.162 1.00 25.35 C ATOM 12 O MET A 51 8.601 1.540 36.374 1.00 26.47 O ATOM 13 CB MET A 51 9.872 4.552 36.429 1.00 23.71 C ATOM 14 CG MET A 51 10.969 5.576 36.189 1.00 23.66 C ATOM 15 SD MET A 51 10.294 7.233 35.960 1.00 23.04 S ATOM 16 CE MET A 51 11.793 8.200 35.813 1.00 23.05 C ATOM 17 H MET A 51 10.457 2.556 34.602 1.00 0.00 H ATOM 18 N TYR A 52 8.915 2.337 38.456 1.00 25.12 N ATOM 19 CA TYR A 52 7.764 1.649 39.029 1.00 25.32 C ATOM 20 C TYR A 52 7.203 2.452 40.196 1.00 24.53 C ATOM 21 O TYR A 52 7.850 3.375 40.690 1.00 23.97 O ATOM 22 CB TYR A 52 8.137 0.233 39.483 1.00 26.43 C ATOM 23 CG TYR A 52 9.178 0.176 40.580 1.00 27.24 C ATOM 24 CD1 TYR A 52 10.533 0.154 40.278 1.00 26.72 C ATOM 25 CD2 TYR A 52 8.805 0.129 41.918 1.00 28.87 C ATOM 26 CE1 TYR A 52 11.488 0.097 41.277 1.00 27.46 C ATOM 27 CE2 TYR A 52 9.752 0.072 42.923 1.00 28.24 C ATOM 28 CZ TYR A 52 11.091 0.055 42.597 1.00 27.81 C ATOM 29 OH TYR A 52 12.036 -0.001 43.596 1.00 28.36 O ATOM 30 HH TYR A 52 11.905 -0.827 44.126 1.00 0.00 H ATOM 31 H TYR A 52 9.524 2.905 39.079 1.00 0.00 H ATOM 32 N ILE A 53 5.998 2.102 40.632 1.00 24.63 N ATOM 33 CA ILE A 53 5.368 2.796 41.748 1.00 23.91 C ATOM 34 C ILE A 53 4.902 1.828 42.833 1.00 25.32 C ATOM 35 O ILE A 53 4.685 0.643 42.577 1.00 28.30 O ATOM 36 CB ILE A 53 4.161 3.642 41.288 1.00 23.10 C ATOM 37 CG1 ILE A 53 3.038 2.742 40.769 1.00 23.71 C ATOM 38 CG2 ILE A 53 4.582 4.655 40.228 1.00 22.36 C ATOM 39 CD1 ILE A 53 1.771 3.491 40.421 1.00 23.31 C ATOM 40 H ILE A 53 5.495 1.319 40.169 1.00 0.00 H ATOM 41 N GLU A 54 4.759 2.347 44.048 1.00 23.95 N ATOM 42 CA GLU A 54 4.204 1.586 45.161 1.00 27.66 C ATOM 43 C GLU A 54 3.653 2.537 46.219 1.00 24.68 C ATOM 44 O GLU A 54 4.199 3.619 46.438 1.00 24.08 O ATOM 45 CB GLU A 54 5.254 0.644 45.757 1.00 28.65 C ATOM 46 CG GLU A 54 6.667 1.200 45.793 1.00 27.65 C ATOM 47 CD GLU A 54 7.713 0.101 45.825 1.00 28.33 C ATOM 48 OE1 GLU A 54 7.404 -1.026 45.384 1.00 28.79 O ATOM 49 OE2 GLU A 54 8.842 0.362 46.292 1.00 28.59 O ATOM 50 H GLU A 54 5.053 3.331 44.211 1.00 0.00 H ATOM 51 N ARG A 55 2.565 2.126 46.864 1.00 26.75 N ATOM 52 CA ARG A 55 1.797 3.004 47.744 1.00 27.05 C ATOM 53 C ARG A 55 2.604 3.521 48.932 1.00 27.81 C ATOM 54 O ARG A 55 3.379 2.783 49.540 1.00 28.17 O ATOM 55 CB ARG A 55 0.545 2.277 48.240 1.00 27.30 C ATOM 56 CG ARG A 55 -0.555 3.200 48.732 1.00 27.43 C ATOM 57 CD ARG A 55 -1.920 2.564 48.534 1.00 27.36 C ATOM 58 NE ARG A 55 -3.009 3.475 48.875 1.00 27.44 N ATOM 59 CZ ARG A 55 -3.614 3.500 50.057 1.00 27.99 C ATOM 60 NH1 ARG A 55 -3.235 2.662 51.011 1.00 29.25 N ATOM 61 NH2 ARG A 55 -4.596 4.361 50.286 1.00 28.05 N ATOM 62 HE ARG A 55 -3.331 4.145 48.148 1.00 0.00 H ATOM 63 HH12 ARG A 55 -3.708 2.680 51.937 1.00 0.00 H ATOM 64 HH11 ARG A 55 -2.465 1.986 50.834 1.00 0.00 H ATOM 65 HH22 ARG A 55 -5.067 4.378 51.213 1.00 0.00 H ATOM 66 HH21 ARG A 55 -4.895 5.020 49.539 1.00 0.00 H ATOM 67 H ARG A 55 2.249 1.143 46.737 1.00 0.00 H ATOM 68 N ALA A 56 2.411 4.796 49.255 1.00 27.96 N ATOM 69 CA ALA A 56 3.143 5.433 50.342 1.00 28.74 C ATOM 70 C ALA A 56 2.201 5.980 51.410 1.00 29.29 C ATOM 71 O ALA A 56 2.645 6.569 52.395 1.00 29.99 O ATOM 72 CB ALA A 56 4.030 6.544 49.802 1.00 28.71 C ATOM 73 H ALA A 56 1.718 5.354 48.717 1.00 0.00 H ATOM 74 N GLY A 57 0.901 5.789 51.210 1.00 28.99 N ATOM 75 CA GLY A 57 -0.077 6.208 52.197 1.00 29.49 C ATOM 76 C GLY A 57 -1.359 6.771 51.616 1.00 29.11 C ATOM 77 O GLY A 57 -1.437 7.087 50.428 1.00 28.48 O ATOM 78 H GLY A 57 0.580 5.332 50.333 1.00 0.00 H ATOM 79 N ASP A 58 -2.370 6.894 52.470 1.00 30.03 N ATOM 80 CA ASP A 58 -3.648 7.473 52.079 1.00 29.79 C ATOM 81 C ASP A 58 -3.528 8.981 51.896 1.00 31.03 C ATOM 82 O ASP A 58 -2.538 9.592 52.301 1.00 32.01 O ATOM 83 CB ASP A 58 -4.722 7.159 53.123 1.00 30.29 C ATOM 84 CG ASP A 58 -4.929 5.671 53.318 1.00 31.32 C ATOM 85 OD1 ASP A 58 -4.127 4.885 52.773 1.00 31.41 O ATOM 86 OD2 ASP A 58 -5.885 5.287 54.024 1.00 32.45 O ATOM 87 H ASP A 58 -2.244 6.566 53.449 1.00 0.00 H ATOM 88 N ILE A 59 -4.546 9.576 51.285 1.00 31.03 N ATOM 89 CA ILE A 59 -4.599 11.021 51.108 1.00 31.04 C ATOM 90 C ILE A 59 -5.704 11.611 51.976 1.00 31.16 C ATOM 91 O ILE A 59 -6.886 11.531 51.641 1.00 31.44 O ATOM 92 CB ILE A 59 -4.825 11.403 49.636 1.00 29.35 C ATOM 93 CG1 ILE A 59 -3.652 10.916 48.783 1.00 28.72 C ATOM 94 CG2 ILE A 59 -4.993 12.905 49.490 1.00 29.74 C ATOM 95 CD1 ILE A 59 -3.668 11.444 47.376 1.00 29.46 C ATOM 96 H ILE A 59 -5.328 8.994 50.923 1.00 0.00 H ATOM 97 N THR A 60 -5.307 12.195 53.101 1.00 31.54 N ATOM 98 CA THR A 60 -6.255 12.748 54.059 1.00 32.76 C ATOM 99 C THR A 60 -5.612 13.839 54.908 1.00 34.51 C ATOM 100 O THR A 60 -4.420 13.786 55.209 1.00 35.57 O ATOM 101 CB THR A 60 -6.822 11.653 54.982 1.00 34.35 C ATOM 102 OG1 THR A 60 -7.495 12.262 56.091 1.00 36.92 O ATOM 103 CG2 THR A 60 -5.701 10.768 55.502 1.00 34.34 C ATOM 104 HG1 THR A 60 -8.235 12.827 55.756 1.00 0.00 H ATOM 105 H THR A 60 -4.289 12.259 53.304 1.00 0.00 H ATOM 106 N TRP A 61 -6.415 14.824 55.290 1.00 34.40 N ATOM 107 CA TRP A 61 -5.944 15.953 56.083 1.00 35.79 C ATOM 108 C TRP A 61 -5.677 15.558 57.534 1.00 36.16 C ATOM 109 O TRP A 61 -6.476 14.855 58.152 1.00 36.39 O ATOM 110 CB TRP A 61 -6.971 17.089 56.024 1.00 35.85 C ATOM 111 CG TRP A 61 -6.684 18.255 56.925 1.00 36.06 C ATOM 112 CD1 TRP A 61 -7.006 18.370 58.247 1.00 37.45 C ATOM 113 CD2 TRP A 61 -6.041 19.484 56.563 1.00 36.45 C ATOM 114 NE1 TRP A 61 -6.591 19.585 58.733 1.00 39.31 N ATOM 115 CE2 TRP A 61 -5.997 20.289 57.718 1.00 38.09 C ATOM 116 CE3 TRP A 61 -5.491 19.978 55.376 1.00 35.80 C ATOM 117 CZ2 TRP A 61 -5.428 21.561 57.721 1.00 37.75 C ATOM 118 CZ3 TRP A 61 -4.932 21.243 55.380 1.00 36.57 C ATOM 119 CH2 TRP A 61 -4.901 22.018 56.545 1.00 36.72 C ATOM 120 HE1 TRP A 61 -6.708 19.917 59.712 1.00 0.00 H ATOM 121 H TRP A 61 -7.417 14.789 55.014 1.00 0.00 H ATOM 122 N GLU A 62 -4.547 16.009 58.072 1.00 35.33 N ATOM 123 CA GLU A 62 -4.263 15.839 59.492 1.00 36.64 C ATOM 124 C GLU A 62 -4.831 17.029 60.258 1.00 38.56 C ATOM 125 O GLU A 62 -4.412 18.168 60.052 1.00 39.29 O ATOM 126 CB GLU A 62 -2.760 15.700 59.744 1.00 36.01 C ATOM 127 CG GLU A 62 -2.405 15.411 61.197 1.00 36.75 C ATOM 128 CD GLU A 62 -0.914 15.247 61.416 1.00 37.00 C ATOM 129 OE1 GLU A 62 -0.161 15.245 60.420 1.00 36.36 O ATOM 130 OE2 GLU A 62 -0.495 15.123 62.586 1.00 38.82 O ATOM 131 H GLU A 62 -3.852 16.492 57.468 1.00 0.00 H ATOM 132 N LYS A 63 -5.787 16.758 61.141 1.00 40.99 N ATOM 133 CA LYS A 63 -6.561 17.811 61.792 1.00 41.22 C ATOM 134 C LYS A 63 -5.773 18.615 62.827 1.00 40.35 C ATOM 135 O LYS A 63 -6.287 19.585 63.382 1.00 40.96 O ATOM 136 CB LYS A 63 -7.806 17.208 62.450 1.00 41.54 C ATOM 137 CG LYS A 63 -8.750 16.526 61.471 1.00 41.05 C ATOM 138 CD LYS A 63 -10.017 16.045 62.161 1.00 40.09 C ATOM 139 CE LYS A 63 -9.758 14.818 63.022 1.00 39.04 C ATOM 140 NZ LYS A 63 -9.428 13.622 62.197 1.00 38.42 N ATOM 141 HZ1 LYS A 63 -10.222 13.412 61.559 1.00 0.00 H ATOM 142 HZ2 LYS A 63 -8.573 13.814 61.636 1.00 0.00 H ATOM 143 HZ3 LYS A 63 -9.259 12.808 62.821 1.00 0.00 H ATOM 144 H LYS A 63 -5.990 15.765 61.375 1.00 0.00 H ATOM 145 N ASP A 64 -4.531 18.217 63.084 1.00 38.88 N ATOM 146 CA ASP A 64 -3.685 18.935 64.034 1.00 41.71 C ATOM 147 C ASP A 64 -2.210 18.713 63.709 1.00 39.80 C ATOM 148 O ASP A 64 -1.447 18.215 64.537 1.00 39.95 O ATOM 149 CB ASP A 64 -3.993 18.492 65.468 1.00 45.28 C ATOM 150 CG ASP A 64 -3.702 19.576 66.492 1.00 45.79 C ATOM 151 OD1 ASP A 64 -4.572 20.448 66.698 1.00 45.74 O ATOM 152 OD2 ASP A 64 -2.608 19.552 67.095 1.00 45.59 O ATOM 153 H ASP A 64 -4.154 17.378 62.599 1.00 0.00 H ATOM 154 N ALA A 65 -1.816 19.094 62.497 1.00 37.86 N ATOM 155 CA ALA A 65 -0.466 18.836 62.006 1.00 37.67 C ATOM 156 C ALA A 65 0.498 19.982 62.297 1.00 38.26 C ATOM 157 O ALA A 65 0.113 21.012 62.850 1.00 38.81 O ATOM 158 CB ALA A 65 -0.500 18.557 60.511 1.00 36.61 C ATOM 159 H ALA A 65 -2.490 19.591 61.881 1.00 0.00 H ATOM 160 N GLU A 66 1.756 19.783 61.914 1.00 38.92 N ATOM 161 CA GLU A 66 2.795 20.794 62.068 1.00 39.76 C ATOM 162 C GLU A 66 2.515 22.007 61.187 1.00 40.64 C ATOM 163 O GLU A 66 2.510 21.907 59.960 1.00 40.55 O ATOM 164 CB GLU A 66 4.165 20.199 61.732 1.00 40.29 C ATOM 165 CG GLU A 66 5.299 21.209 61.675 1.00 41.09 C ATOM 166 CD GLU A 66 6.605 20.585 61.221 1.00 41.56 C ATOM 167 OE1 GLU A 66 6.668 19.341 61.121 1.00 41.53 O ATOM 168 OE2 GLU A 66 7.567 21.337 60.960 1.00 42.52 O ATOM 169 H GLU A 66 2.009 18.869 61.487 1.00 0.00 H ATOM 170 N VAL A 67 2.286 23.152 61.821 1.00 41.01 N ATOM 171 CA VAL A 67 1.945 24.372 61.101 1.00 39.05 C ATOM 172 C VAL A 67 3.149 25.306 60.984 1.00 39.77 C ATOM 173 O VAL A 67 3.719 25.728 61.990 1.00 43.19 O ATOM 174 CB VAL A 67 0.785 25.117 61.788 1.00 39.45 C ATOM 175 CG1 VAL A 67 0.339 26.292 60.943 1.00 39.18 C ATOM 176 CG2 VAL A 67 -0.379 24.170 62.035 1.00 39.50 C ATOM 177 H VAL A 67 2.352 23.178 62.859 1.00 0.00 H ATOM 178 N THR A 68 3.530 25.621 59.748 1.00 38.71 N ATOM 179 CA THR A 68 4.669 26.497 59.482 1.00 40.21 C ATOM 180 C THR A 68 4.568 27.112 58.088 1.00 39.60 C ATOM 181 O THR A 68 3.491 27.145 57.499 1.00 39.68 O ATOM 182 CB THR A 68 6.006 25.739 59.607 1.00 40.48 C ATOM 183 OG1 THR A 68 7.085 26.600 59.222 1.00 40.93 O ATOM 184 CG2 THR A 68 6.007 24.506 58.715 1.00 38.55 C ATOM 185 HG1 THR A 68 7.942 26.110 59.303 1.00 0.00 H ATOM 186 H THR A 68 2.999 25.230 58.944 1.00 0.00 H ATOM 187 N GLY A 69 5.688 27.608 57.571 1.00 39.21 N ATOM 188 CA GLY A 69 5.753 28.084 56.199 1.00 39.19 C ATOM 189 C GLY A 69 5.383 29.541 55.988 1.00 39.30 C ATOM 190 O GLY A 69 4.490 30.071 56.648 1.00 38.38 O ATOM 191 H GLY A 69 6.541 27.657 58.164 1.00 0.00 H ATOM 192 N ASN A 70 6.076 30.187 55.054 1.00 40.08 N ATOM 193 CA ASN A 70 5.794 31.575 54.702 1.00 40.02 C ATOM 194 C ASN A 70 4.717 31.673 53.626 1.00 38.64 C ATOM 195 O ASN A 70 4.211 30.658 53.150 1.00 36.98 O ATOM 196 CB ASN A 70 7.067 32.279 54.225 1.00 40.34 C ATOM 197 CG ASN A 70 8.104 32.417 55.322 1.00 41.44 C ATOM 198 OD1 ASN A 70 7.768 32.494 56.504 1.00 42.48 O ATOM 199 ND2 ASN A 70 9.374 32.452 54.935 1.00 42.70 N ATOM 200 HD22 ASN A 70 9.612 32.384 53.925 1.00 0.00 H ATOM 201 HD21 ASN A 70 10.131 32.548 55.642 1.00 0.00 H ATOM 202 H ASN A 70 6.842 29.687 54.559 1.00 0.00 H ATOM 203 N SER A 71 4.369 32.899 53.248 1.00 37.86 N ATOM 204 CA SER A 71 3.407 33.134 52.174 1.00 38.24 C ATOM 205 C SER A 71 3.864 34.283 51.278 1.00 37.26 C ATOM 206 O SER A 71 3.285 35.368 51.312 1.00 37.58 O ATOM 207 CB SER A 71 2.022 33.437 52.748 1.00 36.62 C ATOM 208 OG SER A 71 1.629 32.446 53.679 1.00 36.23 O ATOM 209 HG SER A 71 1.600 31.565 53.229 1.00 0.00 H ATOM 210 H SER A 71 4.794 33.716 53.731 1.00 0.00 H ATOM 211 N PRO A 72 4.906 34.043 50.467 1.00 37.87 N ATOM 212 CA PRO A 72 5.514 35.106 49.662 1.00 38.77 C ATOM 213 C PRO A 72 4.747 35.428 48.380 1.00 37.82 C ATOM 214 O PRO A 72 4.373 34.523 47.633 1.00 36.86 O ATOM 215 CB PRO A 72 6.896 34.537 49.334 1.00 39.28 C ATOM 216 CG PRO A 72 6.684 33.063 49.294 1.00 37.92 C ATOM 217 CD PRO A 72 5.600 32.753 50.296 1.00 37.47 C ATOM 218 N ARG A 73 4.513 36.716 48.144 1.00 38.92 N ATOM 219 CA ARG A 73 3.953 37.190 46.882 1.00 39.49 C ATOM 220 C ARG A 73 5.081 37.438 45.888 1.00 39.70 C ATOM 221 O ARG A 73 5.805 38.427 46.001 1.00 39.99 O ATOM 222 CB ARG A 73 3.148 38.474 47.087 1.00 40.40 C ATOM 223 CG ARG A 73 1.970 38.357 48.038 1.00 39.31 C ATOM 224 CD ARG A 73 1.416 39.738 48.355 1.00 38.96 C ATOM 225 NE ARG A 73 0.087 39.685 48.955 1.00 38.92 N ATOM 226 CZ ARG A 73 -0.631 40.759 49.270 1.00 40.50 C ATOM 227 NH1 ARG A 73 -0.147 41.973 49.043 1.00 39.56 N ATOM 228 NH2 ARG A 73 -1.834 40.619 49.810 1.00 40.66 N ATOM 229 HE ARG A 73 -0.324 38.749 49.148 1.00 0.00 H ATOM 230 HH12 ARG A 73 -0.710 42.812 49.290 1.00 0.00 H ATOM 231 HH11 ARG A 73 0.795 42.086 48.618 1.00 0.00 H ATOM 232 HH22 ARG A 73 -2.395 41.460 50.056 1.00 0.00 H ATOM 233 HH21 ARG A 73 -2.217 39.668 49.988 1.00 0.00 H ATOM 234 H ARG A 73 4.737 37.410 48.885 1.00 0.00 H ATOM 235 N LEU A 74 5.228 36.550 44.911 1.00 36.32 N ATOM 236 CA LEU A 74 6.375 36.608 44.010 1.00 36.66 C ATOM 237 C LEU A 74 6.002 36.934 42.564 1.00 36.58 C ATOM 238 O LEU A 74 5.136 36.288 41.976 1.00 35.60 O ATOM 239 CB LEU A 74 7.137 35.280 44.054 1.00 36.44 C ATOM 240 CG LEU A 74 7.774 34.898 45.391 1.00 37.05 C ATOM 241 CD1 LEU A 74 8.424 33.525 45.308 1.00 36.65 C ATOM 242 CD2 LEU A 74 8.790 35.946 45.815 1.00 38.24 C ATOM 243 H LEU A 74 4.516 35.803 44.786 1.00 0.00 H ATOM 244 N ASP A 75 6.663 37.941 41.999 1.00 27.42 N ATOM 245 CA ASP A 75 6.561 38.215 40.569 1.00 26.59 C ATOM 246 C ASP A 75 7.385 37.193 39.797 1.00 25.32 C ATOM 247 O ASP A 75 8.613 37.280 39.757 1.00 25.68 O ATOM 248 CB ASP A 75 7.040 39.631 40.237 1.00 27.78 C ATOM 249 CG ASP A 75 5.963 40.678 40.438 1.00 28.89 C ATOM 250 OD1 ASP A 75 4.772 40.308 40.491 1.00 28.79 O ATOM 251 OD2 ASP A 75 6.310 41.875 40.528 1.00 30.64 O ATOM 252 H ASP A 75 7.267 38.547 42.590 1.00 0.00 H ATOM 253 N VAL A 76 6.713 36.220 39.191 1.00 25.37 N ATOM 254 CA VAL A 76 7.414 35.165 38.471 1.00 25.60 C ATOM 255 C VAL A 76 6.971 35.067 37.016 1.00 25.57 C ATOM 256 O VAL A 76 5.974 35.666 36.613 1.00 27.68 O ATOM 257 CB VAL A 76 7.211 33.791 39.141 1.00 23.45 C ATOM 258 CG1 VAL A 76 7.560 33.861 40.617 1.00 23.42 C ATOM 259 CG2 VAL A 76 5.784 33.317 38.953 1.00 23.14 C ATOM 260 H VAL A 76 5.674 36.211 39.231 1.00 0.00 H ATOM 261 N ALA A 77 7.729 34.307 36.233 1.00 23.82 N ATOM 262 CA ALA A 77 7.393 34.051 34.840 1.00 24.40 C ATOM 263 C ALA A 77 7.342 32.548 34.587 1.00 25.13 C ATOM 264 O ALA A 77 7.746 31.757 35.437 1.00 27.38 O ATOM 265 CB ALA A 77 8.397 34.717 33.915 1.00 25.68 C ATOM 266 H ALA A 77 8.591 33.881 36.629 1.00 0.00 H ATOM 267 N LEU A 78 6.843 32.159 33.419 1.00 23.94 N ATOM 268 CA LEU A 78 6.749 30.749 33.059 1.00 23.01 C ATOM 269 C LEU A 78 7.141 30.545 31.600 1.00 23.27 C ATOM 270 O LEU A 78 6.459 31.023 30.694 1.00 23.55 O ATOM 271 CB LEU A 78 5.335 30.221 33.309 1.00 23.21 C ATOM 272 CG LEU A 78 5.105 28.725 33.081 1.00 23.07 C ATOM 273 CD1 LEU A 78 5.936 27.896 34.049 1.00 22.35 C ATOM 274 CD2 LEU A 78 3.628 28.382 33.208 1.00 21.99 C ATOM 275 H LEU A 78 6.511 32.878 32.745 1.00 0.00 H ATOM 276 N ASP A 79 8.241 29.833 31.379 1.00 22.72 N ATOM 277 CA ASP A 79 8.773 29.655 30.034 1.00 24.36 C ATOM 278 C ASP A 79 8.020 28.582 29.255 1.00 24.93 C ATOM 279 O ASP A 79 7.047 28.006 29.743 1.00 25.12 O ATOM 280 CB ASP A 79 10.262 29.305 30.089 1.00 23.85 C ATOM 281 CG ASP A 79 10.515 27.911 30.631 1.00 24.54 C ATOM 282 OD1 ASP A 79 9.676 27.412 31.408 1.00 26.34 O ATOM 283 OD2 ASP A 79 11.554 27.314 30.278 1.00 26.24 O ATOM 284 H ASP A 79 8.733 29.393 32.183 1.00 0.00 H ATOM 285 N GLU A 80 8.490 28.315 28.042 1.00 25.10 N ATOM 286 CA GLU A 80 7.882 27.314 27.177 1.00 24.38 C ATOM 287 C GLU A 80 8.153 25.898 27.689 1.00 24.08 C ATOM 288 O GLU A 80 7.484 24.945 27.290 1.00 23.27 O ATOM 289 CB GLU A 80 8.404 27.473 25.749 1.00 24.45 C ATOM 290 CG GLU A 80 7.657 26.660 24.709 1.00 28.40 C ATOM 291 CD GLU A 80 8.259 26.795 23.327 1.00 28.65 C ATOM 292 OE1 GLU A 80 8.067 27.855 22.695 1.00 28.49 O ATOM 293 OE2 GLU A 80 8.931 25.843 22.878 1.00 28.73 O ATOM 294 H GLU A 80 9.320 28.839 27.698 1.00 0.00 H ATOM 295 N SER A 81 9.126 25.767 28.586 1.00 24.38 N ATOM 296 CA SER A 81 9.510 24.460 29.110 1.00 24.57 C ATOM 297 C SER A 81 8.976 24.212 30.522 1.00 22.88 C ATOM 298 O SER A 81 9.366 23.247 31.179 1.00 22.74 O ATOM 299 CB SER A 81 11.032 24.314 29.094 1.00 24.93 C ATOM 300 OG SER A 81 11.537 24.433 27.775 1.00 24.75 O ATOM 301 HG SER A 81 12.522 24.335 27.790 1.00 0.00 H ATOM 302 H SER A 81 9.625 26.615 28.922 1.00 0.00 H ATOM 303 N GLY A 82 8.087 25.085 30.985 1.00 22.32 N ATOM 304 CA GLY A 82 7.419 24.890 32.261 1.00 22.27 C ATOM 305 C GLY A 82 8.223 25.268 33.492 1.00 23.00 C ATOM 306 O GLY A 82 7.872 24.885 34.608 1.00 23.45 O ATOM 307 H GLY A 82 7.864 25.929 30.420 1.00 0.00 H ATOM 308 N ASP A 83 9.299 26.022 33.297 1.00 22.60 N ATOM 309 CA ASP A 83 10.132 26.464 34.412 1.00 22.33 C ATOM 310 C ASP A 83 9.754 27.869 34.868 1.00 22.13 C ATOM 311 O ASP A 83 9.531 28.759 34.048 1.00 22.44 O ATOM 312 CB ASP A 83 11.612 26.420 34.025 1.00 23.43 C ATOM 313 CG ASP A 83 12.193 25.023 34.102 1.00 25.73 C ATOM 314 OD1 ASP A 83 11.990 24.353 35.137 1.00 26.51 O ATOM 315 OD2 ASP A 83 12.847 24.592 33.129 1.00 26.58 O ATOM 316 H ASP A 83 9.554 26.304 32.329 1.00 0.00 H ATOM 317 N PHE A 84 9.681 28.062 36.182 1.00 22.42 N ATOM 318 CA PHE A 84 9.396 29.376 36.746 1.00 22.38 C ATOM 319 C PHE A 84 10.685 30.159 36.991 1.00 23.15 C ATOM 320 O PHE A 84 11.709 29.587 37.363 1.00 24.34 O ATOM 321 CB PHE A 84 8.606 29.248 38.053 1.00 21.89 C ATOM 322 CG PHE A 84 7.185 28.785 37.870 1.00 21.58 C ATOM 323 CD1 PHE A 84 6.209 29.659 37.419 1.00 21.28 C ATOM 324 CD2 PHE A 84 6.822 27.481 38.170 1.00 21.17 C ATOM 325 CE1 PHE A 84 4.901 29.239 37.257 1.00 21.74 C ATOM 326 CE2 PHE A 84 5.515 27.056 38.011 1.00 20.91 C ATOM 327 CZ PHE A 84 4.553 27.936 37.554 1.00 20.85 C ATOM 328 H PHE A 84 9.831 27.256 36.822 1.00 0.00 H ATOM 329 N SER A 85 10.628 31.470 36.775 1.00 23.39 N ATOM 330 CA SER A 85 11.771 32.343 37.027 1.00 25.15 C ATOM 331 C SER A 85 11.301 33.661 37.632 1.00 25.07 C ATOM 332 O SER A 85 10.205 34.130 37.331 1.00 24.83 O ATOM 333 CB SER A 85 12.555 32.600 35.739 1.00 27.58 C ATOM 334 OG SER A 85 11.784 33.341 34.811 1.00 29.13 O ATOM 335 HG SER A 85 11.537 34.212 35.211 1.00 0.00 H ATOM 336 H SER A 85 9.744 31.885 36.416 1.00 0.00 H ATOM 337 N LEU A 86 12.134 34.256 38.478 1.00 25.91 N ATOM 338 CA LEU A 86 11.758 35.471 39.196 1.00 25.93 C ATOM 339 C LEU A 86 11.844 36.721 38.323 1.00 27.45 C ATOM 340 O LEU A 86 12.638 36.787 37.384 1.00 28.04 O ATOM 341 CB LEU A 86 12.635 35.653 40.439 1.00 27.29 C ATOM 342 CG LEU A 86 12.427 34.693 41.616 1.00 27.88 C ATOM 343 CD1 LEU A 86 10.944 34.497 41.907 1.00 26.83 C ATOM 344 CD2 LEU A 86 13.123 33.356 41.389 1.00 29.49 C ATOM 345 H LEU A 86 13.077 33.847 38.633 1.00 0.00 H ATOM 346 N VAL A 87 11.015 37.710 38.646 1.00 29.09 N ATOM 347 CA VAL A 87 11.030 38.995 37.957 1.00 29.57 C ATOM 348 C VAL A 87 11.336 40.118 38.942 1.00 30.41 C ATOM 349 O VAL A 87 10.677 40.244 39.974 1.00 29.01 O ATOM 350 CB VAL A 87 9.686 39.286 37.258 1.00 27.75 C ATOM 351 CG1 VAL A 87 9.744 40.622 36.533 1.00 29.75 C ATOM 352 CG2 VAL A 87 9.331 38.165 36.294 1.00 26.18 C ATOM 353 H VAL A 87 10.333 37.562 39.417 1.00 0.00 H ATOM 354 N GLU A 88 12.339 40.929 38.624 1.00 32.59 N ATOM 355 CA GLU A 88 12.733 42.029 39.495 1.00 34.31 C ATOM 356 C GLU A 88 12.540 43.378 38.811 1.00 36.01 C ATOM 357 O GLU A 88 11.680 44.166 39.203 1.00 36.82 O ATOM 358 CB GLU A 88 14.189 41.865 39.937 1.00 34.38 C ATOM 359 H GLU A 88 12.854 40.776 37.734 1.00 0.00 H TER 360 GLU A 88 ATOM 361 N LYS B 15 -3.111 -3.786 35.958 1.00 34.48 N ATOM 362 CA LYS B 15 -2.395 -2.518 36.022 1.00 32.00 C ATOM 363 C LYS B 15 -1.838 -2.268 37.419 1.00 32.48 C ATOM 364 O LYS B 15 -1.412 -1.158 37.739 1.00 33.56 O ATOM 365 CB LYS B 15 -3.309 -1.364 35.608 1.00 30.06 C ATOM 366 HN3 LYS B 15 -3.902 -3.770 36.633 1.00 0.00 H ATOM 367 HN2 LYS B 15 -2.462 -4.562 36.200 1.00 0.00 H ATOM 368 HN1 LYS B 15 -3.478 -3.927 34.995 1.00 0.00 H ATOM 369 N GLY B 16 -1.847 -3.307 38.249 1.00 33.08 N ATOM 370 CA GLY B 16 -1.337 -3.209 39.604 1.00 32.40 C ATOM 371 C GLY B 16 -2.340 -2.623 40.577 1.00 33.37 C ATOM 372 O GLY B 16 -3.530 -2.527 40.275 1.00 34.90 O ATOM 373 H GLY B 16 -2.230 -4.215 37.918 1.00 0.00 H ATOM 374 N GLU B 17 -1.857 -2.234 41.753 1.00 33.43 N ATOM 375 CA GLU B 17 -2.710 -1.631 42.771 1.00 32.39 C ATOM 376 C GLU B 17 -3.005 -0.174 42.438 1.00 31.56 C ATOM 377 O GLU B 17 -2.125 0.683 42.528 1.00 31.62 O ATOM 378 CB GLU B 17 -2.057 -1.727 44.152 1.00 31.93 C ATOM 379 CG GLU B 17 -2.943 -1.237 45.288 1.00 31.63 C ATOM 380 CD GLU B 17 -2.171 -0.975 46.568 1.00 32.27 C ATOM 381 OE1 GLU B 17 -0.956 -0.699 46.487 1.00 32.46 O ATOM 382 OE2 GLU B 17 -2.779 -1.046 47.657 1.00 32.66 O ATOM 383 H GLU B 17 -0.844 -2.363 41.952 1.00 0.00 H ATOM 384 N THR B 18 -4.247 0.103 42.056 1.00 31.27 N ATOM 385 CA THR B 18 -4.645 1.456 41.691 1.00 29.39 C ATOM 386 C THR B 18 -5.635 2.046 42.691 1.00 28.51 C ATOM 387 O THR B 18 -6.437 2.912 42.340 1.00 30.40 O ATOM 388 CB THR B 18 -5.268 1.498 40.285 1.00 30.04 C ATOM 389 OG1 THR B 18 -6.279 0.488 40.177 1.00 32.84 O ATOM 390 CG2 THR B 18 -4.204 1.255 39.226 1.00 29.88 C ATOM 391 HG1 THR B 18 -6.678 0.518 39.271 1.00 0.00 H ATOM 392 H THR B 18 -4.950 -0.662 42.017 1.00 0.00 H ATOM 393 N THR B 19 -5.580 1.574 43.933 1.00 28.73 N ATOM 394 CA THR B 19 -6.416 2.135 44.986 1.00 28.97 C ATOM 395 C THR B 19 -5.979 3.567 45.270 1.00 26.16 C ATOM 396 O THR B 19 -4.818 3.922 45.065 1.00 25.67 O ATOM 397 CB THR B 19 -6.353 1.300 46.284 1.00 32.05 C ATOM 398 OG1 THR B 19 -7.268 1.838 47.246 1.00 33.44 O ATOM 399 CG2 THR B 19 -4.949 1.315 46.866 1.00 30.46 C ATOM 400 HG1 THR B 19 -7.225 1.301 48.077 1.00 0.00 H ATOM 401 H THR B 19 -4.931 0.793 44.156 1.00 0.00 H ATOM 402 N ASP B 20 -6.917 4.390 45.728 1.00 25.93 N ATOM 403 CA ASP B 20 -6.633 5.797 45.987 1.00 25.09 C ATOM 404 C ASP B 20 -5.588 5.972 47.083 1.00 24.95 C ATOM 405 O ASP B 20 -5.551 5.210 48.049 1.00 26.78 O ATOM 406 CB ASP B 20 -7.918 6.541 46.356 1.00 25.09 C ATOM 407 CG ASP B 20 -8.796 6.818 45.151 1.00 25.03 C ATOM 408 OD1 ASP B 20 -8.666 6.097 44.140 1.00 25.25 O ATOM 409 OD2 ASP B 20 -9.616 7.757 45.216 1.00 24.85 O ATOM 410 H ASP B 20 -7.874 4.023 45.905 1.00 0.00 H ATOM 411 N GLY B 21 -4.734 6.977 46.918 1.00 24.22 N ATOM 412 CA GLY B 21 -3.668 7.241 47.866 1.00 24.08 C ATOM 413 C GLY B 21 -2.437 7.821 47.197 1.00 23.49 C ATOM 414 O GLY B 21 -2.433 8.066 45.990 1.00 23.65 O ATOM 415 H GLY B 21 -4.833 7.592 46.085 1.00 0.00 H ATOM 416 N VAL B 22 -1.387 8.039 47.982 1.00 23.41 N ATOM 417 CA VAL B 22 -0.155 8.619 47.463 1.00 22.94 C ATOM 418 C VAL B 22 0.850 7.515 47.130 1.00 23.32 C ATOM 419 O VAL B 22 0.866 6.461 47.769 1.00 23.97 O ATOM 420 CB VAL B 22 0.457 9.628 48.463 1.00 22.69 C ATOM 421 CG1 VAL B 22 1.208 8.913 49.577 1.00 23.20 C ATOM 422 CG2 VAL B 22 1.368 10.603 47.744 1.00 22.14 C ATOM 423 H VAL B 22 -1.446 7.790 48.990 1.00 0.00 H ATOM 424 N TYR B 23 1.670 7.749 46.110 1.00 23.03 N ATOM 425 CA TYR B 23 2.602 6.735 45.626 1.00 23.45 C ATOM 426 C TYR B 23 3.995 7.304 45.381 1.00 23.17 C ATOM 427 O TYR B 23 4.142 8.453 44.967 1.00 22.61 O ATOM 428 CB TYR B 23 2.076 6.098 44.334 1.00 23.66 C ATOM 429 CG TYR B 23 0.926 5.129 44.514 1.00 24.24 C ATOM 430 CD1 TYR B 23 -0.354 5.582 44.806 1.00 24.08 C ATOM 431 CD2 TYR B 23 1.117 3.762 44.362 1.00 25.04 C ATOM 432 CE1 TYR B 23 -1.406 4.698 44.965 1.00 24.70 C ATOM 433 CE2 TYR B 23 0.069 2.872 44.516 1.00 25.69 C ATOM 434 CZ TYR B 23 -1.189 3.346 44.815 1.00 25.50 C ATOM 435 OH TYR B 23 -2.236 2.466 44.968 1.00 26.22 O ATOM 436 HH TYR B 23 -3.061 2.970 45.179 1.00 0.00 H ATOM 437 H TYR B 23 1.647 8.679 45.645 1.00 0.00 H ATOM 438 N ARG B 24 5.014 6.490 45.637 1.00 23.66 N ATOM 439 CA ARG B 24 6.387 6.856 45.317 1.00 23.55 C ATOM 440 C ARG B 24 6.716 6.429 43.894 1.00 23.70 C ATOM 441 O ARG B 24 6.268 5.378 43.439 1.00 24.20 O ATOM 442 CB ARG B 24 7.375 6.208 46.289 1.00 24.43 C ATOM 443 CG ARG B 24 7.114 6.487 47.757 1.00 24.31 C ATOM 444 CD ARG B 24 8.109 5.729 48.624 1.00 25.09 C ATOM 445 NE ARG B 24 7.820 5.853 50.049 1.00 25.46 N ATOM 446 CZ ARG B 24 8.382 6.752 50.850 1.00 24.92 C ATOM 447 NH1 ARG B 24 9.266 7.613 50.365 1.00 24.95 N ATOM 448 NH2 ARG B 24 8.060 6.790 52.136 1.00 25.27 N ATOM 449 HE ARG B 24 7.130 5.195 50.464 1.00 0.00 H ATOM 450 HH12 ARG B 24 9.705 8.316 50.993 1.00 0.00 H ATOM 451 HH11 ARG B 24 9.520 7.585 49.357 1.00 0.00 H ATOM 452 HH22 ARG B 24 8.501 7.494 52.762 1.00 0.00 H ATOM 453 HH21 ARG B 24 7.367 6.116 52.519 1.00 0.00 H ATOM 454 H ARG B 24 4.826 5.567 46.078 1.00 0.00 H ATOM 455 N VAL B 25 7.497 7.245 43.194 1.00 23.36 N ATOM 456 CA VAL B 25 7.997 6.874 41.876 1.00 23.62 C ATOM 457 C VAL B 25 9.469 6.491 41.988 1.00 24.06 C ATOM 458 O VAL B 25 10.325 7.341 42.231 1.00 24.33 O ATOM 459 CB VAL B 25 7.828 8.012 40.854 1.00 23.11 C ATOM 460 CG1 VAL B 25 8.403 7.603 39.507 1.00 23.51 C ATOM 461 CG2 VAL B 25 6.360 8.385 40.715 1.00 22.77 C ATOM 462 H VAL B 25 7.757 8.169 43.595 1.00 0.00 H ATOM 463 N MET B 26 9.754 5.204 41.819 1.00 25.18 N ATOM 464 CA MET B 26 11.103 4.688 42.011 1.00 25.72 C ATOM 465 C MET B 26 11.784 4.366 40.687 1.00 27.65 C ATOM 466 O MET B 26 11.122 4.135 39.677 1.00 28.22 O ATOM 467 CB MET B 26 11.069 3.438 42.892 1.00 27.03 C ATOM 468 CG MET B 26 10.377 3.635 44.228 1.00 27.95 C ATOM 469 SD MET B 26 11.342 4.656 45.353 1.00 27.59 S ATOM 470 CE MET B 26 12.819 3.658 45.511 1.00 28.24 C ATOM 471 H MET B 26 8.995 4.549 41.543 1.00 0.00 H ATOM 472 N THR B 27 13.113 4.353 40.702 1.00 29.54 N ATOM 473 CA THR B 27 13.892 3.985 39.528 1.00 30.22 C ATOM 474 C THR B 27 14.993 3.001 39.908 1.00 31.84 C ATOM 475 O THR B 27 15.467 2.993 41.044 1.00 31.35 O ATOM 476 CB THR B 27 14.522 5.219 38.849 1.00 30.12 C ATOM 477 OG1 THR B 27 15.180 4.820 37.640 1.00 36.97 O ATOM 478 CG2 THR B 27 15.531 5.885 39.774 1.00 27.82 C ATOM 479 HG1 THR B 27 15.583 5.614 37.207 1.00 0.00 H ATOM 480 H THR B 27 13.611 4.613 41.577 1.00 0.00 H ATOM 481 N ARG B 28 15.388 2.162 38.958 1.00 34.92 N ATOM 482 CA ARG B 28 16.487 1.231 39.182 1.00 38.15 C ATOM 483 C ARG B 28 17.626 1.542 38.216 1.00 39.11 C ATOM 484 O ARG B 28 18.504 0.712 37.980 1.00 42.51 O ATOM 485 CB ARG B 28 16.019 -0.220 39.020 1.00 40.67 C ATOM 486 CG ARG B 28 14.854 -0.629 39.923 1.00 39.43 C ATOM 487 CD ARG B 28 14.623 -2.144 39.867 1.00 39.87 C ATOM 488 NE ARG B 28 13.368 -2.540 40.502 1.00 40.49 N ATOM 489 CZ ARG B 28 13.244 -2.889 41.780 1.00 40.57 C ATOM 490 NH1 ARG B 28 14.303 -2.898 42.581 1.00 41.29 N ATOM 491 NH2 ARG B 28 12.055 -3.231 42.260 1.00 39.45 N ATOM 492 HE ARG B 28 12.511 -2.550 39.913 1.00 0.00 H ATOM 493 HH12 ARG B 28 14.198 -3.172 43.579 1.00 0.00 H ATOM 494 HH11 ARG B 28 15.237 -2.631 42.211 1.00 0.00 H ATOM 495 HH22 ARG B 28 11.956 -3.504 43.259 1.00 0.00 H ATOM 496 HH21 ARG B 28 11.222 -3.226 41.638 1.00 0.00 H ATOM 497 H ARG B 28 14.905 2.169 38.037 1.00 0.00 H ATOM 498 N ARG B 29 17.603 2.753 37.668 1.00 37.69 N ATOM 499 CA ARG B 29 18.599 3.190 36.696 1.00 39.28 C ATOM 500 C ARG B 29 19.908 3.587 37.377 1.00 40.38 C ATOM 501 O ARG B 29 20.945 3.712 36.726 1.00 42.83 O ATOM 502 CB ARG B 29 18.051 4.358 35.870 1.00 37.55 C ATOM 503 CG ARG B 29 18.836 4.669 34.605 1.00 39.20 C ATOM 504 CD ARG B 29 18.923 3.459 33.684 1.00 42.71 C ATOM 505 NE ARG B 29 17.608 2.924 33.337 1.00 42.33 N ATOM 506 CZ ARG B 29 17.404 1.988 32.415 1.00 42.24 C ATOM 507 NH1 ARG B 29 16.175 1.557 32.164 1.00 41.17 N ATOM 508 NH2 ARG B 29 18.428 1.484 31.740 1.00 43.20 N ATOM 509 HE ARG B 29 16.780 3.299 33.843 1.00 0.00 H ATOM 510 HH12 ARG B 29 16.018 0.825 31.442 1.00 0.00 H ATOM 511 HH11 ARG B 29 15.368 1.951 32.689 1.00 0.00 H ATOM 512 HH22 ARG B 29 18.266 0.752 31.019 1.00 0.00 H ATOM 513 HH21 ARG B 29 19.393 1.821 31.931 1.00 0.00 H ATOM 514 H ARG B 29 16.847 3.413 37.942 1.00 0.00 H ATOM 515 N LEU B 30 19.859 3.784 38.690 1.00 39.35 N ATOM 516 CA LEU B 30 21.059 4.124 39.446 1.00 38.94 C ATOM 517 C LEU B 30 21.411 3.016 40.433 1.00 38.68 C ATOM 518 O LEU B 30 20.692 2.022 40.541 1.00 39.76 O ATOM 519 CB LEU B 30 20.882 5.459 40.176 1.00 37.15 C ATOM 520 CG LEU B 30 21.241 6.713 39.369 1.00 37.27 C ATOM 521 CD1 LEU B 30 20.197 7.023 38.300 1.00 36.62 C ATOM 522 CD2 LEU B 30 21.457 7.913 40.285 1.00 36.40 C ATOM 523 H LEU B 30 18.950 3.694 39.187 1.00 0.00 H ATOM 524 N LEU B 31 22.521 3.191 41.144 1.00 35.40 N ATOM 525 CA LEU B 31 23.007 2.191 42.091 1.00 37.99 C ATOM 526 C LEU B 31 21.955 1.814 43.144 1.00 38.48 C ATOM 527 O LEU B 31 21.495 0.672 43.178 1.00 41.35 O ATOM 528 CB LEU B 31 24.279 2.689 42.779 1.00 37.08 C ATOM 529 CG LEU B 31 25.050 1.683 43.638 1.00 36.60 C ATOM 530 CD1 LEU B 31 25.249 0.372 42.891 1.00 38.68 C ATOM 531 CD2 LEU B 31 26.392 2.260 44.069 1.00 36.89 C ATOM 532 H LEU B 31 23.062 4.071 41.021 1.00 0.00 H ATOM 533 N GLY B 32 21.570 2.762 43.996 1.00 35.90 N ATOM 534 CA GLY B 32 20.582 2.494 45.030 1.00 34.80 C ATOM 535 C GLY B 32 19.192 2.807 44.527 1.00 33.94 C ATOM 536 O GLY B 32 19.021 3.710 43.707 1.00 35.22 O ATOM 537 H GLY B 32 21.984 3.713 43.921 1.00 0.00 H ATOM 538 N SER B 33 18.194 2.069 44.994 1.00 33.71 N ATOM 539 CA SER B 33 16.853 2.310 44.500 1.00 31.80 C ATOM 540 C SER B 33 16.428 3.707 44.930 1.00 29.79 C ATOM 541 O SER B 33 16.145 3.957 46.099 1.00 29.53 O ATOM 542 CB SER B 33 15.886 1.250 45.007 1.00 31.92 C ATOM 543 OG SER B 33 16.258 -0.036 44.514 1.00 33.72 O ATOM 544 HG SER B 33 17.172 -0.256 44.825 1.00 0.00 H ATOM 545 H SER B 33 18.371 1.329 45.703 1.00 0.00 H ATOM 546 N THR B 34 16.424 4.622 43.968 1.00 28.65 N ATOM 547 CA THR B 34 16.168 6.035 44.224 1.00 27.76 C ATOM 548 C THR B 34 14.712 6.434 43.982 1.00 26.61 C ATOM 549 O THR B 34 14.090 6.012 43.001 1.00 28.11 O ATOM 550 CB THR B 34 17.067 6.933 43.342 1.00 29.12 C ATOM 551 OG1 THR B 34 18.409 6.429 43.338 1.00 30.90 O ATOM 552 CG2 THR B 34 17.067 8.368 43.866 1.00 29.64 C ATOM 553 HG1 THR B 34 18.761 6.423 44.263 1.00 0.00 H ATOM 554 H THR B 34 16.611 4.319 42.991 1.00 0.00 H ATOM 555 N GLN B 35 14.180 7.246 44.891 1.00 25.04 N ATOM 556 CA GLN B 35 12.863 7.844 44.727 1.00 24.28 C ATOM 557 C GLN B 35 12.966 9.140 43.924 1.00 25.66 C ATOM 558 O GLN B 35 13.421 10.163 44.438 1.00 25.85 O ATOM 559 CB GLN B 35 12.221 8.111 46.091 1.00 24.05 C ATOM 560 CG GLN B 35 10.863 8.804 46.011 1.00 23.42 C ATOM 561 CD GLN B 35 10.218 9.017 47.370 1.00 23.38 C ATOM 562 OE1 GLN B 35 10.388 8.214 48.288 1.00 24.35 O ATOM 563 NE2 GLN B 35 9.467 10.106 47.502 1.00 22.87 N ATOM 564 HE22 GLN B 35 9.351 10.758 46.700 1.00 0.00 H ATOM 565 HE21 GLN B 35 8.996 10.306 48.407 1.00 0.00 H ATOM 566 H GLN B 35 14.725 7.462 45.750 1.00 0.00 H ATOM 567 N VAL B 36 12.545 9.091 42.664 1.00 25.65 N ATOM 568 CA VAL B 36 12.652 10.241 41.769 1.00 24.06 C ATOM 569 C VAL B 36 11.368 11.062 41.691 1.00 22.81 C ATOM 570 O VAL B 36 11.266 11.987 40.886 1.00 22.68 O ATOM 571 CB VAL B 36 13.029 9.804 40.341 1.00 24.46 C ATOM 572 CG1 VAL B 36 14.463 9.310 40.298 1.00 26.01 C ATOM 573 CG2 VAL B 36 12.070 8.734 39.846 1.00 24.27 C ATOM 574 H VAL B 36 12.127 8.209 42.305 1.00 0.00 H ATOM 575 N GLY B 37 10.386 10.724 42.520 1.00 22.54 N ATOM 576 CA GLY B 37 9.143 11.471 42.526 1.00 22.05 C ATOM 577 C GLY B 37 8.018 10.863 43.336 1.00 21.97 C ATOM 578 O GLY B 37 8.123 9.748 43.848 1.00 22.39 O ATOM 579 H GLY B 37 10.509 9.920 43.168 1.00 0.00 H ATOM 580 N VAL B 38 6.933 11.621 43.451 1.00 21.60 N ATOM 581 CA VAL B 38 5.745 11.195 44.176 1.00 21.63 C ATOM 582 C VAL B 38 4.545 11.310 43.237 1.00 21.49 C ATOM 583 O VAL B 38 4.622 11.993 42.217 1.00 21.30 O ATOM 584 CB VAL B 38 5.526 12.047 45.446 1.00 21.45 C ATOM 585 CG1 VAL B 38 4.531 11.385 46.377 1.00 21.68 C ATOM 586 CG2 VAL B 38 6.844 12.260 46.171 1.00 21.58 C ATOM 587 H VAL B 38 6.932 12.560 43.003 1.00 0.00 H ATOM 588 N GLY B 39 3.448 10.636 43.563 1.00 21.67 N ATOM 589 CA GLY B 39 2.261 10.697 42.732 1.00 21.62 C ATOM 590 C GLY B 39 0.977 10.380 43.471 1.00 21.77 C ATOM 591 O GLY B 39 0.990 9.719 44.509 1.00 22.06 O ATOM 592 H GLY B 39 3.440 10.056 44.426 1.00 0.00 H ATOM 593 N VAL B 40 -0.130 10.824 42.898 1.00 21.67 N ATOM 594 CA VAL B 40 -1.416 10.560 43.492 1.00 21.88 C ATOM 595 C VAL B 40 -2.290 9.728 42.563 1.00 22.25 C ATOM 596 O VAL B 40 -2.570 10.116 41.428 1.00 22.16 O ATOM 597 CB VAL B 40 -2.127 11.886 43.863 1.00 21.58 C ATOM 598 CG1 VAL B 40 -3.530 11.615 44.374 1.00 22.39 C ATOM 599 CG2 VAL B 40 -1.323 12.715 44.857 1.00 21.33 C ATOM 600 H VAL B 40 -0.072 11.367 42.013 1.00 0.00 H ATOM 601 N MET B 41 -2.732 8.588 43.071 1.00 22.76 N ATOM 602 CA MET B 41 -3.655 7.736 42.336 1.00 23.25 C ATOM 603 C MET B 41 -5.078 8.056 42.770 1.00 23.37 C ATOM 604 O MET B 41 -5.424 7.905 43.940 1.00 23.56 O ATOM 605 CB MET B 41 -3.344 6.258 42.576 1.00 23.92 C ATOM 606 CG MET B 41 -4.147 5.299 41.713 1.00 24.55 C ATOM 607 SD MET B 41 -3.396 5.026 40.097 1.00 24.64 S ATOM 608 CE MET B 41 -1.886 4.181 40.561 1.00 24.92 C ATOM 609 H MET B 41 -2.412 8.295 44.016 1.00 0.00 H ATOM 610 N GLN B 42 -5.898 8.512 41.830 1.00 23.33 N ATOM 611 CA GLN B 42 -7.279 8.857 42.139 1.00 23.52 C ATOM 612 C GLN B 42 -8.192 8.545 40.960 1.00 23.90 C ATOM 613 O GLN B 42 -7.916 8.946 39.829 1.00 23.73 O ATOM 614 CB GLN B 42 -7.393 10.335 42.526 1.00 23.01 C ATOM 615 CG GLN B 42 -8.790 10.762 42.950 1.00 23.26 C ATOM 616 CD GLN B 42 -8.844 12.201 43.430 1.00 22.89 C ATOM 617 OE1 GLN B 42 -7.995 12.642 44.204 1.00 22.58 O ATOM 618 NE2 GLN B 42 -9.845 12.941 42.967 1.00 23.03 N ATOM 619 HE22 GLN B 42 -10.540 12.526 42.314 1.00 0.00 H ATOM 620 HE21 GLN B 42 -9.934 13.936 43.257 1.00 0.00 H ATOM 621 H GLN B 42 -5.548 8.625 40.857 1.00 0.00 H ATOM 622 N GLU B 43 -9.270 7.817 41.244 1.00 20.70 N ATOM 623 CA GLU B 43 -10.267 7.435 40.245 1.00 21.12 C ATOM 624 C GLU B 43 -9.663 6.615 39.105 1.00 21.50 C ATOM 625 O GLU B 43 -10.154 6.650 37.977 1.00 23.46 O ATOM 626 CB GLU B 43 -10.968 8.677 39.687 1.00 21.21 C ATOM 627 CG GLU B 43 -11.488 9.620 40.760 1.00 21.30 C ATOM 628 CD GLU B 43 -12.138 10.860 40.183 1.00 21.89 C ATOM 629 OE1 GLU B 43 -12.842 10.739 39.159 1.00 22.70 O ATOM 630 OE2 GLU B 43 -11.940 11.955 40.751 1.00 22.10 O ATOM 631 H GLU B 43 -9.410 7.504 42.226 1.00 0.00 H ATOM 632 N GLY B 44 -8.600 5.876 39.409 1.00 20.71 N ATOM 633 CA GLY B 44 -7.979 4.992 38.438 1.00 21.04 C ATOM 634 C GLY B 44 -6.871 5.637 37.628 1.00 20.93 C ATOM 635 O GLY B 44 -6.297 5.007 36.740 1.00 21.41 O ATOM 636 H GLY B 44 -8.202 5.933 40.368 1.00 0.00 H ATOM 637 N VAL B 45 -6.563 6.893 37.935 1.00 19.89 N ATOM 638 CA VAL B 45 -5.545 7.633 37.198 1.00 19.46 C ATOM 639 C VAL B 45 -4.383 8.035 38.101 1.00 19.15 C ATOM 640 O VAL B 45 -4.591 8.535 39.206 1.00 19.05 O ATOM 641 CB VAL B 45 -6.140 8.894 36.539 1.00 19.22 C ATOM 642 CG1 VAL B 45 -5.055 9.706 35.846 1.00 18.83 C ATOM 643 CG2 VAL B 45 -7.233 8.509 35.558 1.00 19.59 C ATOM 644 H VAL B 45 -7.060 7.360 38.720 1.00 0.00 H ATOM 645 N PHE B 46 -3.161 7.807 37.629 1.00 19.04 N ATOM 646 CA PHE B 46 -1.969 8.201 38.372 1.00 18.79 C ATOM 647 C PHE B 46 -1.483 9.579 37.932 1.00 18.34 C ATOM 648 O PHE B 46 -1.075 9.767 36.785 1.00 18.26 O ATOM 649 CB PHE B 46 -0.857 7.166 38.196 1.00 19.02 C ATOM 650 CG PHE B 46 0.364 7.442 39.026 1.00 19.10 C ATOM 651 CD1 PHE B 46 0.315 7.335 40.405 1.00 19.00 C ATOM 652 CD2 PHE B 46 1.560 7.803 38.429 1.00 19.32 C ATOM 653 CE1 PHE B 46 1.434 7.587 41.175 1.00 18.94 C ATOM 654 CE2 PHE B 46 2.684 8.055 39.193 1.00 18.63 C ATOM 655 CZ PHE B 46 2.621 7.946 40.567 1.00 18.75 C ATOM 656 H PHE B 46 -3.052 7.336 36.708 1.00 0.00 H ATOM 657 N HIS B 47 -1.529 10.536 38.853 1.00 18.12 N ATOM 658 CA HIS B 47 -1.118 11.906 38.567 1.00 17.76 C ATOM 659 C HIS B 47 0.261 12.196 39.150 1.00 17.61 C ATOM 660 O HIS B 47 0.543 11.841 40.295 1.00 17.72 O ATOM 661 CB HIS B 47 -2.135 12.905 39.126 1.00 17.66 C ATOM 662 CG HIS B 47 -3.562 12.542 38.849 1.00 17.91 C ATOM 663 ND1 HIS B 47 -4.220 11.539 39.527 1.00 18.23 N ATOM 664 CD2 HIS B 47 -4.459 13.056 37.975 1.00 17.95 C ATOM 665 CE1 HIS B 47 -5.460 11.447 39.079 1.00 18.44 C ATOM 666 NE2 HIS B 47 -5.630 12.357 38.137 1.00 18.28 N ATOM 667 H HIS B 47 -1.869 10.301 39.807 1.00 0.00 H ATOM 668 N THR B 48 1.114 12.841 38.361 1.00 18.04 N ATOM 669 CA THR B 48 2.437 13.248 38.825 1.00 18.55 C ATOM 670 C THR B 48 3.026 14.329 37.924 1.00 18.06 C ATOM 671 O THR B 48 2.479 14.632 36.863 1.00 17.07 O ATOM 672 CB THR B 48 3.413 12.059 38.886 1.00 19.04 C ATOM 673 OG1 THR B 48 4.657 12.490 39.451 1.00 17.69 O ATOM 674 CG2 THR B 48 3.660 11.498 37.495 1.00 19.52 C ATOM 675 HG1 THR B 48 4.501 12.836 40.365 1.00 0.00 H ATOM 676 H THR B 48 0.831 13.062 37.385 1.00 0.00 H ATOM 677 N MET B 49 4.143 14.907 38.355 1.00 18.32 N ATOM 678 CA MET B 49 4.825 15.934 37.577 1.00 17.68 C ATOM 679 C MET B 49 5.414 15.337 36.305 1.00 17.65 C ATOM 680 O MET B 49 5.731 14.149 36.258 1.00 18.17 O ATOM 681 CB MET B 49 5.928 16.593 38.406 1.00 18.16 C ATOM 682 CG MET B 49 5.491 16.998 39.801 1.00 18.42 C ATOM 683 SD MET B 49 4.225 18.278 39.797 1.00 20.11 S ATOM 684 CE MET B 49 5.192 19.707 39.327 1.00 20.44 C ATOM 685 H MET B 49 4.541 14.619 39.272 1.00 0.00 H ATOM 686 N TRP B 50 5.559 16.161 35.272 1.00 17.46 N ATOM 687 CA TRP B 50 6.131 15.688 34.019 1.00 18.10 C ATOM 688 C TRP B 50 7.624 15.414 34.168 1.00 19.62 C ATOM 689 O TRP B 50 8.118 14.388 33.706 1.00 20.75 O ATOM 690 CB TRP B 50 5.894 16.695 32.891 1.00 18.45 C ATOM 691 CG TRP B 50 6.495 16.265 31.582 1.00 18.27 C ATOM 692 CD1 TRP B 50 7.765 16.510 31.143 1.00 18.63 C ATOM 693 CD2 TRP B 50 5.854 15.508 30.546 1.00 18.40 C ATOM 694 NE1 TRP B 50 7.954 15.955 29.902 1.00 19.58 N ATOM 695 CE2 TRP B 50 6.796 15.335 29.512 1.00 18.99 C ATOM 696 CE3 TRP B 50 4.576 14.962 30.392 1.00 19.20 C ATOM 697 CZ2 TRP B 50 6.500 14.639 28.342 1.00 21.38 C ATOM 698 CZ3 TRP B 50 4.285 14.272 29.229 1.00 20.93 C ATOM 699 CH2 TRP B 50 5.243 14.117 28.219 1.00 21.43 C ATOM 700 HE1 TRP B 50 8.833 15.998 29.348 1.00 0.00 H ATOM 701 H TRP B 50 5.261 17.154 35.360 1.00 0.00 H ATOM 702 N HIS B 51 8.337 16.323 34.827 1.00 20.34 N ATOM 703 CA HIS B 51 9.791 16.223 34.930 1.00 19.06 C ATOM 704 C HIS B 51 10.239 15.045 35.795 1.00 19.50 C ATOM 705 O HIS B 51 11.434 14.769 35.908 1.00 22.26 O ATOM 706 CB HIS B 51 10.379 17.528 35.477 1.00 19.02 C ATOM 707 CG HIS B 51 10.028 17.799 36.905 1.00 18.71 C ATOM 708 ND1 HIS B 51 8.931 18.551 37.276 1.00 18.30 N ATOM 709 CD2 HIS B 51 10.630 17.426 38.059 1.00 18.79 C ATOM 710 CE1 HIS B 51 8.874 18.624 38.591 1.00 18.14 C ATOM 711 NE2 HIS B 51 9.894 17.949 39.093 1.00 18.56 N ATOM 712 H HIS B 51 7.849 17.122 35.279 1.00 0.00 H ATOM 713 N VAL B 52 9.280 14.354 36.402 1.00 18.38 N ATOM 714 CA VAL B 52 9.572 13.156 37.177 1.00 18.69 C ATOM 715 C VAL B 52 9.742 11.949 36.262 1.00 20.10 C ATOM 716 O VAL B 52 10.769 11.273 36.293 1.00 20.38 O ATOM 717 CB VAL B 52 8.461 12.853 38.200 1.00 18.55 C ATOM 718 CG1 VAL B 52 8.713 11.514 38.876 1.00 19.92 C ATOM 719 CG2 VAL B 52 8.367 13.967 39.227 1.00 18.37 C ATOM 720 H VAL B 52 8.295 14.677 36.322 1.00 0.00 H ATOM 721 N THR B 53 8.728 11.691 35.444 1.00 19.85 N ATOM 722 CA THR B 53 8.717 10.514 34.585 1.00 19.79 C ATOM 723 C THR B 53 9.129 10.846 33.152 1.00 21.11 C ATOM 724 O THR B 53 9.494 9.953 32.387 1.00 21.78 O ATOM 725 CB THR B 53 7.325 9.853 34.567 1.00 18.82 C ATOM 726 OG1 THR B 53 6.394 10.706 33.891 1.00 18.60 O ATOM 727 CG2 THR B 53 6.835 9.600 35.987 1.00 18.59 C ATOM 728 HG1 THR B 53 5.502 10.277 33.882 1.00 0.00 H ATOM 729 H THR B 53 7.921 12.346 35.416 1.00 0.00 H ATOM 730 N LYS B 54 9.069 12.130 32.804 1.00 20.23 N ATOM 731 CA LYS B 54 9.340 12.606 31.445 1.00 20.46 C ATOM 732 C LYS B 54 8.412 11.943 30.433 1.00 21.17 C ATOM 733 O LYS B 54 8.785 11.726 29.280 1.00 23.65 O ATOM 734 CB LYS B 54 10.805 12.369 31.058 1.00 20.93 C ATOM 735 CG LYS B 54 11.822 13.145 31.890 1.00 21.84 C ATOM 736 CD LYS B 54 12.174 14.499 31.272 1.00 22.92 C ATOM 737 CE LYS B 54 11.171 15.583 31.642 1.00 21.86 C ATOM 738 NZ LYS B 54 11.573 16.925 31.137 1.00 23.11 N ATOM 739 HZ1 LYS B 54 12.494 17.186 31.545 1.00 0.00 H ATOM 740 HZ2 LYS B 54 11.647 16.896 30.100 1.00 0.00 H ATOM 741 HZ3 LYS B 54 10.858 17.627 31.415 1.00 0.00 H ATOM 742 H LYS B 54 8.818 12.829 33.532 1.00 0.00 H ATOM 743 N GLY B 55 7.200 11.624 30.877 1.00 20.29 N ATOM 744 CA GLY B 55 6.200 11.018 30.018 1.00 19.87 C ATOM 745 C GLY B 55 6.372 9.523 29.825 1.00 21.28 C ATOM 746 O GLY B 55 5.531 8.875 29.202 1.00 21.10 O ATOM 747 H GLY B 55 6.961 11.815 31.871 1.00 0.00 H ATOM 748 N ALA B 56 7.457 8.970 30.357 1.00 20.99 N ATOM 749 CA ALA B 56 7.745 7.549 30.188 1.00 19.54 C ATOM 750 C ALA B 56 6.726 6.685 30.921 1.00 21.67 C ATOM 751 O ALA B 56 6.147 7.104 31.924 1.00 22.36 O ATOM 752 CB ALA B 56 9.153 7.232 30.670 1.00 19.97 C ATOM 753 H ALA B 56 8.114 9.561 30.905 1.00 0.00 H ATOM 754 N ALA B 57 6.509 5.477 30.410 1.00 22.67 N ATOM 755 CA ALA B 57 5.574 4.539 31.018 1.00 20.29 C ATOM 756 C ALA B 57 6.072 4.089 32.386 1.00 21.53 C ATOM 757 O ALA B 57 7.269 4.143 32.670 1.00 22.49 O ATOM 758 CB ALA B 57 5.357 3.339 30.110 1.00 20.92 C ATOM 759 H ALA B 57 7.022 5.193 29.551 1.00 0.00 H ATOM 760 N LEU B 58 5.146 3.644 33.229 1.00 22.37 N ATOM 761 CA LEU B 58 5.480 3.233 34.587 1.00 21.04 C ATOM 762 C LEU B 58 5.100 1.782 34.848 1.00 21.83 C ATOM 763 O LEU B 58 4.207 1.235 34.202 1.00 22.35 O ATOM 764 CB LEU B 58 4.784 4.142 35.601 1.00 20.53 C ATOM 765 CG LEU B 58 5.090 5.634 35.477 1.00 20.08 C ATOM 766 CD1 LEU B 58 4.215 6.439 36.420 1.00 19.65 C ATOM 767 CD2 LEU B 58 6.560 5.902 35.749 1.00 20.42 C ATOM 768 H LEU B 58 4.157 3.588 32.911 1.00 0.00 H ATOM 769 N ARG B 59 5.784 1.166 35.805 1.00 24.05 N ATOM 770 CA ARG B 59 5.495 -0.205 36.199 1.00 25.52 C ATOM 771 C ARG B 59 4.673 -0.209 37.485 1.00 25.41 C ATOM 772 O ARG B 59 4.749 0.725 38.282 1.00 24.80 O ATOM 773 CB ARG B 59 6.792 -0.993 36.390 1.00 26.69 C ATOM 774 CG ARG B 59 6.661 -2.503 36.312 1.00 27.79 C ATOM 775 CD ARG B 59 7.955 -3.159 36.769 1.00 30.41 C ATOM 776 NE ARG B 59 9.120 -2.361 36.391 1.00 31.90 N ATOM 777 CZ ARG B 59 10.289 -2.397 37.022 1.00 32.16 C ATOM 778 NH1 ARG B 59 10.457 -3.192 38.070 1.00 31.78 N ATOM 779 NH2 ARG B 59 11.292 -1.632 36.609 1.00 32.74 N ATOM 780 HE ARG B 59 9.028 -1.723 35.575 1.00 0.00 H ATOM 781 HH12 ARG B 59 11.373 -3.218 38.562 1.00 0.00 H ATOM 782 HH11 ARG B 59 9.673 -3.790 38.400 1.00 0.00 H ATOM 783 HH22 ARG B 59 12.206 -1.661 37.104 1.00 0.00 H ATOM 784 HH21 ARG B 59 11.164 -1.003 35.791 1.00 0.00 H ATOM 785 H ARG B 59 6.549 1.679 36.288 1.00 0.00 H ATOM 786 N SER B 60 3.883 -1.259 37.676 1.00 26.94 N ATOM 787 CA SER B 60 3.075 -1.405 38.880 1.00 28.20 C ATOM 788 C SER B 60 2.881 -2.886 39.175 1.00 28.14 C ATOM 789 O SER B 60 1.774 -3.411 39.073 1.00 27.07 O ATOM 790 CB SER B 60 1.726 -0.702 38.717 1.00 27.78 C ATOM 791 OG SER B 60 0.977 -0.740 39.921 1.00 27.45 O ATOM 792 HG SER B 60 0.813 -1.682 40.177 1.00 0.00 H ATOM 793 H SER B 60 3.840 -1.998 36.946 1.00 0.00 H ATOM 794 N GLY B 61 3.957 -3.549 39.577 1.00 28.94 N ATOM 795 CA GLY B 61 3.923 -4.982 39.748 1.00 29.64 C ATOM 796 C GLY B 61 4.048 -5.362 38.282 1.00 30.59 C ATOM 797 O GLY B 61 4.944 -4.835 37.624 1.00 32.62 O ATOM 798 H GLY B 61 4.837 -3.030 39.772 1.00 0.00 H ATOM 799 N GLU B 62 3.210 -6.244 37.748 1.00 30.09 N ATOM 800 CA GLU B 62 3.343 -6.581 36.329 1.00 29.49 C ATOM 801 C GLU B 62 2.027 -6.585 35.537 1.00 29.27 C ATOM 802 O GLU B 62 1.606 -7.635 35.056 1.00 30.77 O ATOM 803 CB GLU B 62 4.041 -7.941 36.183 1.00 31.95 C ATOM 804 CG GLU B 62 5.560 -7.883 36.159 1.00 32.80 C ATOM 805 CD GLU B 62 6.198 -9.254 36.301 1.00 34.86 C ATOM 806 OE1 GLU B 62 5.458 -10.236 36.507 1.00 35.96 O ATOM 807 OE2 GLU B 62 7.438 -9.351 36.206 1.00 35.66 O ATOM 808 H GLU B 62 2.471 -6.688 38.329 1.00 0.00 H ATOM 809 N GLY B 63 1.374 -5.433 35.374 1.00 27.61 N ATOM 810 CA GLY B 63 1.787 -4.148 35.910 1.00 26.68 C ATOM 811 C GLY B 63 2.516 -3.121 35.053 1.00 27.70 C ATOM 812 O GLY B 63 3.734 -2.988 35.116 1.00 28.69 O ATOM 813 H GLY B 63 0.496 -5.457 34.817 1.00 0.00 H ATOM 814 N ARG B 64 1.747 -2.382 34.255 1.00 26.51 N ATOM 815 CA ARG B 64 2.277 -1.298 33.427 1.00 24.68 C ATOM 816 C ARG B 64 1.233 -0.196 33.233 1.00 24.12 C ATOM 817 O ARG B 64 0.053 -0.485 33.056 1.00 24.94 O ATOM 818 CB ARG B 64 2.761 -1.801 32.065 1.00 23.89 C ATOM 819 CG ARG B 64 3.390 -0.705 31.215 1.00 24.30 C ATOM 820 CD ARG B 64 3.616 -1.140 29.775 1.00 27.51 C ATOM 821 NE ARG B 64 3.790 0.000 28.877 1.00 26.13 N ATOM 822 CZ ARG B 64 4.558 -0.009 27.792 1.00 25.31 C ATOM 823 NH1 ARG B 64 5.232 -1.100 27.459 1.00 25.94 N ATOM 824 NH2 ARG B 64 4.654 1.074 27.037 1.00 24.72 N ATOM 825 HE ARG B 64 3.279 0.877 29.102 1.00 0.00 H ATOM 826 HH12 ARG B 64 5.831 -1.102 26.609 1.00 0.00 H ATOM 827 HH11 ARG B 64 5.162 -1.955 28.047 1.00 0.00 H ATOM 828 HH22 ARG B 64 5.255 1.065 26.189 1.00 0.00 H ATOM 829 HH21 ARG B 64 4.128 1.934 27.292 1.00 0.00 H ATOM 830 H ARG B 64 0.727 -2.584 34.219 1.00 0.00 H ATOM 831 N LEU B 65 1.667 1.061 33.240 1.00 24.11 N ATOM 832 CA LEU B 65 0.754 2.178 33.023 1.00 22.42 C ATOM 833 C LEU B 65 1.233 3.049 31.867 1.00 21.63 C ATOM 834 O LEU B 65 2.346 3.568 31.894 1.00 22.51 O ATOM 835 CB LEU B 65 0.619 3.022 34.296 1.00 22.38 C ATOM 836 CG LEU B 65 0.470 2.282 35.629 1.00 22.23 C ATOM 837 CD1 LEU B 65 0.311 3.266 36.780 1.00 21.39 C ATOM 838 CD2 LEU B 65 -0.697 1.311 35.591 1.00 24.08 C ATOM 839 H LEU B 65 2.676 1.251 33.403 1.00 0.00 H ATOM 840 N ASP B 66 0.394 3.203 30.849 1.00 21.43 N ATOM 841 CA ASP B 66 0.720 4.090 29.740 1.00 22.26 C ATOM 842 C ASP B 66 0.224 5.501 30.026 1.00 20.87 C ATOM 843 O ASP B 66 -0.848 5.680 30.603 1.00 21.27 O ATOM 844 CB ASP B 66 0.121 3.571 28.429 1.00 25.00 C ATOM 845 CG ASP B 66 1.048 2.616 27.699 1.00 26.94 C ATOM 846 OD1 ASP B 66 0.981 1.399 27.970 1.00 28.43 O ATOM 847 OD2 ASP B 66 1.843 3.082 26.855 1.00 26.36 O ATOM 848 H ASP B 66 -0.507 2.684 30.843 1.00 0.00 H ATOM 849 N PRO B 67 1.011 6.512 29.631 1.00 20.04 N ATOM 850 CA PRO B 67 0.588 7.905 29.799 1.00 19.47 C ATOM 851 C PRO B 67 -0.646 8.224 28.960 1.00 22.06 C ATOM 852 O PRO B 67 -0.760 7.758 27.828 1.00 26.12 O ATOM 853 CB PRO B 67 1.804 8.703 29.320 1.00 19.75 C ATOM 854 CG PRO B 67 2.525 7.775 28.401 1.00 21.19 C ATOM 855 CD PRO B 67 2.332 6.410 28.989 1.00 20.97 C ATOM 856 N TYR B 68 -1.561 9.006 29.520 1.00 19.40 N ATOM 857 CA TYR B 68 -2.794 9.356 28.828 1.00 19.30 C ATOM 858 C TYR B 68 -2.725 10.774 28.276 1.00 19.79 C ATOM 859 O TYR B 68 -3.029 11.015 27.107 1.00 19.31 O ATOM 860 CB TYR B 68 -3.991 9.211 29.768 1.00 19.37 C ATOM 861 CG TYR B 68 -5.334 9.369 29.094 1.00 19.69 C ATOM 862 CD1 TYR B 68 -5.923 10.620 28.956 1.00 19.56 C ATOM 863 CD2 TYR B 68 -6.018 8.266 28.602 1.00 20.25 C ATOM 864 CE1 TYR B 68 -7.151 10.767 28.343 1.00 20.42 C ATOM 865 CE2 TYR B 68 -7.247 8.404 27.989 1.00 21.05 C ATOM 866 CZ TYR B 68 -7.809 9.656 27.861 1.00 20.49 C ATOM 867 OH TYR B 68 -9.033 9.794 27.250 1.00 20.86 O ATOM 868 HH TYR B 68 -9.290 10.750 27.241 1.00 0.00 H ATOM 869 H TYR B 68 -1.393 9.378 30.477 1.00 0.00 H ATOM 870 N TRP B 69 -2.326 11.709 29.131 1.00 19.00 N ATOM 871 CA TRP B 69 -2.203 13.108 28.747 1.00 18.50 C ATOM 872 C TRP B 69 -0.978 13.736 29.401 1.00 18.14 C ATOM 873 O TRP B 69 -0.646 13.423 30.545 1.00 17.97 O ATOM 874 CB TRP B 69 -3.467 13.883 29.128 1.00 18.52 C ATOM 875 CG TRP B 69 -3.276 15.367 29.176 1.00 18.64 C ATOM 876 CD1 TRP B 69 -3.325 16.237 28.124 1.00 19.83 C ATOM 877 CD2 TRP B 69 -3.005 16.159 30.337 1.00 18.00 C ATOM 878 NE1 TRP B 69 -3.100 17.519 28.558 1.00 20.23 N ATOM 879 CE2 TRP B 69 -2.901 17.499 29.914 1.00 17.98 C ATOM 880 CE3 TRP B 69 -2.839 15.865 31.694 1.00 17.79 C ATOM 881 CZ2 TRP B 69 -2.639 18.543 30.801 1.00 17.76 C ATOM 882 CZ3 TRP B 69 -2.580 16.901 32.571 1.00 17.56 C ATOM 883 CH2 TRP B 69 -2.482 18.223 32.122 1.00 17.54 C ATOM 884 HE1 TRP B 69 -3.083 18.367 27.956 1.00 0.00 H ATOM 885 H TRP B 69 -2.094 11.433 30.106 1.00 0.00 H ATOM 886 N GLY B 70 -0.305 14.617 28.670 1.00 18.09 N ATOM 887 CA GLY B 70 0.875 15.283 29.186 1.00 19.71 C ATOM 888 C GLY B 70 1.097 16.663 28.598 1.00 18.68 C ATOM 889 O GLY B 70 0.681 16.945 27.475 1.00 18.05 O ATOM 890 H GLY B 70 -0.631 14.834 27.707 1.00 0.00 H ATOM 891 N ASP B 71 1.753 17.525 29.369 1.00 17.92 N ATOM 892 CA ASP B 71 2.121 18.859 28.908 1.00 17.64 C ATOM 893 C ASP B 71 3.318 19.382 29.698 1.00 17.73 C ATOM 894 O ASP B 71 3.239 19.561 30.914 1.00 17.56 O ATOM 895 CB ASP B 71 0.940 19.825 29.029 1.00 17.65 C ATOM 896 CG ASP B 71 1.227 21.174 28.399 1.00 19.42 C ATOM 897 OD1 ASP B 71 1.008 21.319 27.177 1.00 19.88 O ATOM 898 OD2 ASP B 71 1.669 22.091 29.123 1.00 20.42 O ATOM 899 H ASP B 71 2.013 17.238 30.334 1.00 0.00 H ATOM 900 N VAL B 72 4.423 19.622 28.999 1.00 17.77 N ATOM 901 CA VAL B 72 5.661 20.066 29.634 1.00 17.87 C ATOM 902 C VAL B 72 5.507 21.429 30.303 1.00 17.81 C ATOM 903 O VAL B 72 6.005 21.646 31.409 1.00 17.78 O ATOM 904 CB VAL B 72 6.818 20.125 28.611 1.00 18.87 C ATOM 905 CG1 VAL B 72 8.006 20.894 29.172 1.00 21.13 C ATOM 906 CG2 VAL B 72 7.234 18.723 28.203 1.00 18.37 C ATOM 907 H VAL B 72 4.405 19.489 27.968 1.00 0.00 H ATOM 908 N LYS B 73 4.804 22.339 29.636 1.00 19.14 N ATOM 909 CA LYS B 73 4.633 23.694 30.149 1.00 19.47 C ATOM 910 C LYS B 73 3.872 23.698 31.473 1.00 19.34 C ATOM 911 O LYS B 73 4.206 24.454 32.385 1.00 18.16 O ATOM 912 CB LYS B 73 3.913 24.570 29.124 1.00 19.63 C ATOM 913 CG LYS B 73 4.000 26.056 29.420 1.00 20.82 C ATOM 914 CD LYS B 73 3.484 26.876 28.253 1.00 20.79 C ATOM 915 CE LYS B 73 3.711 28.359 28.482 1.00 20.59 C ATOM 916 NZ LYS B 73 3.250 29.168 27.322 1.00 21.27 N ATOM 917 HZ1 LYS B 73 3.775 28.882 26.471 1.00 0.00 H ATOM 918 HZ2 LYS B 73 2.233 29.010 27.173 1.00 0.00 H ATOM 919 HZ3 LYS B 73 3.421 30.176 27.514 1.00 0.00 H ATOM 920 H LYS B 73 4.366 22.079 28.729 1.00 0.00 H ATOM 921 N GLN B 74 2.852 22.851 31.576 1.00 17.23 N ATOM 922 CA GLN B 74 2.123 22.693 32.829 1.00 17.08 C ATOM 923 C GLN B 74 2.900 21.799 33.791 1.00 16.89 C ATOM 924 O GLN B 74 2.639 21.797 34.994 1.00 16.78 O ATOM 925 CB GLN B 74 0.727 22.109 32.585 1.00 17.17 C ATOM 926 CG GLN B 74 -0.172 22.945 31.687 1.00 17.44 C ATOM 927 CD GLN B 74 -1.573 22.368 31.569 1.00 18.66 C ATOM 928 OE1 GLN B 74 -2.070 21.723 32.493 1.00 18.58 O ATOM 929 NE2 GLN B 74 -2.213 22.593 30.427 1.00 18.07 N ATOM 930 HE22 GLN B 74 -1.754 23.144 29.673 1.00 0.00 H ATOM 931 HE21 GLN B 74 -3.173 22.219 30.286 1.00 0.00 H ATOM 932 H GLN B 74 2.569 22.291 30.747 1.00 0.00 H ATOM 933 N ASP B 75 3.850 21.043 33.243 1.00 17.92 N ATOM 934 CA ASP B 75 4.676 20.109 34.011 1.00 17.82 C ATOM 935 C ASP B 75 3.816 19.083 34.744 1.00 17.15 C ATOM 936 O ASP B 75 4.017 18.814 35.928 1.00 16.70 O ATOM 937 CB ASP B 75 5.572 20.864 35.000 1.00 17.66 C ATOM 938 CG ASP B 75 6.715 20.012 35.521 1.00 17.21 C ATOM 939 OD1 ASP B 75 7.212 19.151 34.765 1.00 18.23 O ATOM 940 OD2 ASP B 75 7.117 20.207 36.686 1.00 17.61 O ATOM 941 H ASP B 75 4.013 21.120 32.219 1.00 0.00 H ATOM 942 N LEU B 76 2.851 18.518 34.025 1.00 16.86 N ATOM 943 CA LEU B 76 1.965 17.503 34.580 1.00 16.89 C ATOM 944 C LEU B 76 1.789 16.347 33.603 1.00 21.91 C ATOM 945 O LEU B 76 2.052 16.488 32.409 1.00 31.37 O ATOM 946 CB LEU B 76 0.602 18.105 34.925 1.00 16.91 C ATOM 947 CG LEU B 76 0.571 19.137 36.049 1.00 16.80 C ATOM 948 CD1 LEU B 76 -0.832 19.689 36.221 1.00 16.90 C ATOM 949 CD2 LEU B 76 1.072 18.522 37.345 1.00 16.74 C ATOM 950 H LEU B 76 2.724 18.810 33.035 1.00 0.00 H ATOM 951 N VAL B 77 1.337 15.208 34.114 1.00 20.84 N ATOM 952 CA VAL B 77 1.085 14.045 33.275 1.00 19.83 C ATOM 953 C VAL B 77 0.139 13.080 33.989 1.00 19.66 C ATOM 954 O VAL B 77 0.153 12.977 35.217 1.00 17.50 O ATOM 955 CB VAL B 77 2.409 13.329 32.893 1.00 18.63 C ATOM 956 CG1 VAL B 77 3.083 12.747 34.125 1.00 19.68 C ATOM 957 CG2 VAL B 77 2.167 12.255 31.839 1.00 17.79 C ATOM 958 H VAL B 77 1.159 15.145 35.137 1.00 0.00 H ATOM 959 N SER B 78 -0.701 12.397 33.218 1.00 19.92 N ATOM 960 CA SER B 78 -1.646 11.439 33.780 1.00 18.52 C ATOM 961 C SER B 78 -1.477 10.066 33.138 1.00 19.34 C ATOM 962 O SER B 78 -1.076 9.956 31.979 1.00 20.21 O ATOM 963 CB SER B 78 -3.082 11.933 33.600 1.00 18.16 C ATOM 964 OG SER B 78 -3.424 12.020 32.227 1.00 18.34 O ATOM 965 HG SER B 78 -3.342 11.126 31.810 1.00 0.00 H ATOM 966 H SER B 78 -0.684 12.549 32.189 1.00 0.00 H ATOM 967 N TYR B 79 -1.785 9.020 33.899 1.00 18.64 N ATOM 968 CA TYR B 79 -1.654 7.653 33.410 1.00 19.05 C ATOM 969 C TYR B 79 -2.983 6.907 33.488 1.00 19.44 C ATOM 970 O TYR B 79 -3.750 7.087 34.435 1.00 19.43 O ATOM 971 CB TYR B 79 -0.577 6.903 34.199 1.00 19.13 C ATOM 972 CG TYR B 79 0.837 7.345 33.884 1.00 18.91 C ATOM 973 CD1 TYR B 79 1.344 8.535 34.391 1.00 21.01 C ATOM 974 CD2 TYR B 79 1.666 6.571 33.083 1.00 19.25 C ATOM 975 CE1 TYR B 79 2.633 8.944 34.106 1.00 19.79 C ATOM 976 CE2 TYR B 79 2.958 6.970 32.793 1.00 19.27 C ATOM 977 CZ TYR B 79 3.436 8.156 33.306 1.00 19.36 C ATOM 978 OH TYR B 79 4.720 8.557 33.019 1.00 19.03 O ATOM 979 HH TYR B 79 5.359 7.876 33.349 1.00 0.00 H ATOM 980 H TYR B 79 -2.128 9.181 34.867 1.00 0.00 H ATOM 981 N CYS B 80 -3.242 6.088 32.470 1.00 21.01 N ATOM 982 CA CYS B 80 -4.437 5.243 32.370 1.00 21.94 C ATOM 983 C CYS B 80 -5.741 6.028 32.214 1.00 21.29 C ATOM 984 O CYS B 80 -6.817 5.434 32.140 1.00 23.15 O ATOM 985 CB CYS B 80 -4.545 4.316 33.587 1.00 24.60 C ATOM 986 SG CYS B 80 -3.131 3.217 33.817 1.00 25.27 S ATOM 987 H CYS B 80 -2.551 6.045 31.694 1.00 0.00 H ATOM 988 N GLY B 81 -5.653 7.352 32.151 1.00 19.86 N ATOM 989 CA GLY B 81 -6.845 8.167 32.000 1.00 19.90 C ATOM 990 C GLY B 81 -6.601 9.656 32.138 1.00 19.44 C ATOM 991 O GLY B 81 -5.493 10.084 32.457 1.00 20.51 O ATOM 992 H GLY B 81 -4.721 7.809 32.210 1.00 0.00 H ATOM 993 N PRO B 82 -7.648 10.458 31.899 1.00 19.53 N ATOM 994 CA PRO B 82 -7.569 11.922 31.961 1.00 19.21 C ATOM 995 C PRO B 82 -7.352 12.444 33.381 1.00 18.90 C ATOM 996 O PRO B 82 -7.502 11.697 34.349 1.00 18.98 O ATOM 997 CB PRO B 82 -8.930 12.368 31.419 1.00 19.56 C ATOM 998 CG PRO B 82 -9.840 11.226 31.705 1.00 19.98 C ATOM 999 CD PRO B 82 -9.003 9.991 31.558 1.00 20.03 C ATOM 1000 N TRP B 83 -6.996 13.721 33.491 1.00 18.60 N ATOM 1001 CA TRP B 83 -6.753 14.350 34.784 1.00 18.34 C ATOM 1002 C TRP B 83 -8.026 14.353 35.627 1.00 18.57 C ATOM 1003 O TRP B 83 -9.108 14.661 35.129 1.00 18.85 O ATOM 1004 CB TRP B 83 -6.233 15.776 34.590 1.00 18.08 C ATOM 1005 CG TRP B 83 -5.572 16.354 35.804 1.00 17.80 C ATOM 1006 CD1 TRP B 83 -6.136 17.181 36.731 1.00 17.79 C ATOM 1007 CD2 TRP B 83 -4.215 16.151 36.221 1.00 17.54 C ATOM 1008 NE1 TRP B 83 -5.215 17.505 37.698 1.00 17.54 N ATOM 1009 CE2 TRP B 83 -4.028 16.885 37.409 1.00 17.39 C ATOM 1010 CE3 TRP B 83 -3.141 15.419 35.704 1.00 17.48 C ATOM 1011 CZ2 TRP B 83 -2.812 16.909 38.089 1.00 17.20 C ATOM 1012 CZ3 TRP B 83 -1.934 15.444 36.381 1.00 17.29 C ATOM 1013 CH2 TRP B 83 -1.780 16.184 37.561 1.00 17.15 C ATOM 1014 HE1 TRP B 83 -5.391 18.121 38.517 1.00 0.00 H ATOM 1015 H TRP B 83 -6.887 14.289 32.627 1.00 0.00 H ATOM 1016 N LYS B 84 -7.888 14.007 36.903 1.00 18.51 N ATOM 1017 CA LYS B 84 -9.041 13.841 37.783 1.00 18.79 C ATOM 1018 C LYS B 84 -9.073 14.864 38.916 1.00 18.63 C ATOM 1019 O LYS B 84 -10.096 15.034 39.579 1.00 18.88 O ATOM 1020 CB LYS B 84 -9.052 12.429 38.374 1.00 19.02 C ATOM 1021 CG LYS B 84 -9.083 11.314 37.342 1.00 19.27 C ATOM 1022 CD LYS B 84 -10.474 11.131 36.759 1.00 19.72 C ATOM 1023 CE LYS B 84 -10.533 9.909 35.856 1.00 20.11 C ATOM 1024 NZ LYS B 84 -11.916 9.619 35.391 1.00 22.67 N ATOM 1025 HZ1 LYS B 84 -12.527 9.443 36.214 1.00 0.00 H ATOM 1026 HZ2 LYS B 84 -12.279 10.434 34.856 1.00 0.00 H ATOM 1027 HZ3 LYS B 84 -11.906 8.778 34.779 1.00 0.00 H ATOM 1028 H LYS B 84 -6.933 13.850 37.285 1.00 0.00 H ATOM 1029 N LEU B 85 -7.951 15.541 39.136 1.00 18.44 N ATOM 1030 CA LEU B 85 -7.827 16.473 40.252 1.00 18.14 C ATOM 1031 C LEU B 85 -8.400 17.841 39.890 1.00 18.17 C ATOM 1032 O LEU B 85 -7.831 18.566 39.075 1.00 18.00 O ATOM 1033 CB LEU B 85 -6.363 16.599 40.674 1.00 17.82 C ATOM 1034 CG LEU B 85 -5.601 15.274 40.743 1.00 17.83 C ATOM 1035 CD1 LEU B 85 -4.152 15.504 41.139 1.00 18.17 C ATOM 1036 CD2 LEU B 85 -6.274 14.305 41.705 1.00 18.14 C ATOM 1037 H LEU B 85 -7.142 15.403 38.497 1.00 0.00 H ATOM 1038 N ASP B 86 -9.526 18.188 40.507 1.00 18.44 N ATOM 1039 CA ASP B 86 -10.259 19.394 40.140 1.00 19.73 C ATOM 1040 C ASP B 86 -10.333 20.430 41.260 1.00 19.41 C ATOM 1041 O ASP B 86 -10.786 21.554 41.040 1.00 20.45 O ATOM 1042 CB ASP B 86 -11.674 19.023 39.690 1.00 21.50 C ATOM 1043 CG ASP B 86 -12.316 17.983 40.587 1.00 23.74 C ATOM 1044 OD1 ASP B 86 -11.573 17.239 41.262 1.00 23.66 O ATOM 1045 OD2 ASP B 86 -13.563 17.903 40.614 1.00 25.11 O ATOM 1046 H ASP B 86 -9.893 17.584 41.270 1.00 0.00 H ATOM 1047 N ALA B 87 -9.891 20.058 42.457 1.00 19.07 N ATOM 1048 CA ALA B 87 -9.939 20.968 43.597 1.00 18.94 C ATOM 1049 C ALA B 87 -8.969 22.134 43.419 1.00 19.22 C ATOM 1050 O ALA B 87 -7.990 22.032 42.680 1.00 20.14 O ATOM 1051 CB ALA B 87 -9.638 20.222 44.886 1.00 18.61 C ATOM 1052 H ALA B 87 -9.504 19.101 42.584 1.00 0.00 H ATOM 1053 N ALA B 88 -9.251 23.240 44.100 1.00 19.12 N ATOM 1054 CA ALA B 88 -8.431 24.441 43.982 1.00 19.80 C ATOM 1055 C ALA B 88 -8.311 25.173 45.314 1.00 20.23 C ATOM 1056 O ALA B 88 -9.227 25.145 46.135 1.00 21.68 O ATOM 1057 CB ALA B 88 -9.005 25.368 42.922 1.00 22.24 C ATOM 1058 H ALA B 88 -10.076 23.250 44.733 1.00 0.00 H ATOM 1059 N TRP B 89 -7.174 25.831 45.515 1.00 20.92 N ATOM 1060 CA TRP B 89 -6.918 26.599 46.728 1.00 22.73 C ATOM 1061 C TRP B 89 -7.819 27.830 46.790 1.00 23.96 C ATOM 1062 O TRP B 89 -7.956 28.553 45.804 1.00 25.92 O ATOM 1063 CB TRP B 89 -5.442 27.005 46.788 1.00 22.47 C ATOM 1064 CG TRP B 89 -5.071 27.827 47.983 1.00 21.30 C ATOM 1065 CD1 TRP B 89 -5.312 27.525 49.291 1.00 21.65 C ATOM 1066 CD2 TRP B 89 -4.365 29.075 47.982 1.00 21.41 C ATOM 1067 NE1 TRP B 89 -4.814 28.514 50.104 1.00 22.30 N ATOM 1068 CE2 TRP B 89 -4.227 29.476 49.326 1.00 22.36 C ATOM 1069 CE3 TRP B 89 -3.844 29.895 46.976 1.00 20.67 C ATOM 1070 CZ2 TRP B 89 -3.588 30.661 49.690 1.00 22.04 C ATOM 1071 CZ3 TRP B 89 -3.210 31.070 47.340 1.00 21.01 C ATOM 1072 CH2 TRP B 89 -3.088 31.442 48.684 1.00 21.39 C ATOM 1073 HE1 TRP B 89 -4.873 28.530 51.142 1.00 0.00 H ATOM 1074 H TRP B 89 -6.439 25.797 44.780 1.00 0.00 H ATOM 1075 N ASP B 90 -8.431 28.072 47.947 1.00 22.63 N ATOM 1076 CA ASP B 90 -9.377 29.179 48.079 1.00 23.32 C ATOM 1077 C ASP B 90 -8.682 30.538 48.151 1.00 22.76 C ATOM 1078 O ASP B 90 -9.342 31.576 48.204 1.00 23.78 O ATOM 1079 CB ASP B 90 -10.276 28.980 49.310 1.00 23.41 C ATOM 1080 CG ASP B 90 -9.490 28.716 50.584 1.00 23.19 C ATOM 1081 OD1 ASP B 90 -8.288 29.052 50.644 1.00 23.18 O ATOM 1082 OD2 ASP B 90 -10.086 28.174 51.538 1.00 22.95 O ATOM 1083 H ASP B 90 -8.234 27.465 48.768 1.00 0.00 H ATOM 1084 N GLY B 91 -7.353 30.526 48.159 1.00 22.44 N ATOM 1085 CA GLY B 91 -6.592 31.756 48.237 1.00 22.98 C ATOM 1086 C GLY B 91 -6.761 32.450 49.575 1.00 25.50 C ATOM 1087 O GLY B 91 -6.500 33.647 49.694 1.00 26.84 O ATOM 1088 H GLY B 91 -6.850 29.617 48.108 1.00 0.00 H ATOM 1089 N LEU B 92 -7.195 31.699 50.586 1.00 25.17 N ATOM 1090 CA LEU B 92 -7.390 32.259 51.923 1.00 26.00 C ATOM 1091 C LEU B 92 -6.919 31.343 53.055 1.00 25.18 C ATOM 1092 O LEU B 92 -6.403 31.820 54.069 1.00 25.96 O ATOM 1093 CB LEU B 92 -8.863 32.602 52.143 1.00 25.76 C ATOM 1094 CG LEU B 92 -9.449 33.699 51.262 1.00 24.19 C ATOM 1095 CD1 LEU B 92 -10.966 33.640 51.285 1.00 24.05 C ATOM 1096 CD2 LEU B 92 -8.959 35.064 51.717 1.00 24.51 C ATOM 1097 H LEU B 92 -7.400 30.693 50.421 1.00 0.00 H ATOM 1098 N SER B 93 -7.112 30.037 52.892 1.00 24.83 N ATOM 1099 CA SER B 93 -6.829 29.087 53.962 1.00 22.00 C ATOM 1100 C SER B 93 -5.422 28.513 53.877 1.00 21.20 C ATOM 1101 O SER B 93 -4.749 28.640 52.856 1.00 22.75 O ATOM 1102 CB SER B 93 -7.845 27.946 53.936 1.00 21.86 C ATOM 1103 OG SER B 93 -9.169 28.444 53.934 1.00 23.42 O ATOM 1104 HG SER B 93 -9.306 29.010 53.133 1.00 0.00 H ATOM 1105 H SER B 93 -7.472 29.686 51.982 1.00 0.00 H ATOM 1106 N GLU B 94 -4.984 27.879 54.960 1.00 26.80 N ATOM 1107 CA GLU B 94 -3.715 27.162 54.963 1.00 27.03 C ATOM 1108 C GLU B 94 -3.881 25.787 54.332 1.00 26.96 C ATOM 1109 O GLU B 94 -4.985 25.243 54.289 1.00 26.61 O ATOM 1110 CB GLU B 94 -3.167 27.021 56.382 1.00 28.03 C ATOM 1111 CG GLU B 94 -2.626 28.307 56.972 1.00 29.53 C ATOM 1112 CD GLU B 94 -1.808 28.064 58.221 1.00 30.92 C ATOM 1113 OE1 GLU B 94 -1.957 26.980 58.822 1.00 31.08 O ATOM 1114 OE2 GLU B 94 -1.012 28.949 58.597 1.00 30.40 O ATOM 1115 H GLU B 94 -5.560 27.895 55.826 1.00 0.00 H ATOM 1116 N VAL B 95 -2.778 25.229 53.844 1.00 27.53 N ATOM 1117 CA VAL B 95 -2.801 23.921 53.205 1.00 25.76 C ATOM 1118 C VAL B 95 -1.745 22.997 53.799 1.00 26.29 C ATOM 1119 O VAL B 95 -0.771 23.456 54.396 1.00 26.99 O ATOM 1120 CB VAL B 95 -2.566 24.030 51.686 1.00 24.95 C ATOM 1121 CG1 VAL B 95 -3.583 24.969 51.055 1.00 24.62 C ATOM 1122 CG2 VAL B 95 -1.149 24.499 51.403 1.00 25.24 C ATOM 1123 H VAL B 95 -1.875 25.740 53.921 1.00 0.00 H ATOM 1124 N GLN B 96 -1.946 21.694 53.631 1.00 27.72 N ATOM 1125 CA GLN B 96 -0.988 20.701 54.102 1.00 28.15 C ATOM 1126 C GLN B 96 -0.283 20.014 52.938 1.00 27.62 C ATOM 1127 O GLN B 96 -0.928 19.494 52.028 1.00 28.36 O ATOM 1128 CB GLN B 96 -1.681 19.655 54.980 1.00 28.17 C ATOM 1129 CG GLN B 96 -1.883 20.087 56.423 1.00 28.35 C ATOM 1130 CD GLN B 96 -2.643 19.061 57.241 1.00 28.43 C ATOM 1131 OE1 GLN B 96 -2.909 17.953 56.777 1.00 27.83 O ATOM 1132 NE2 GLN B 96 -2.999 19.429 58.466 1.00 31.29 N ATOM 1133 HE22 GLN B 96 -2.752 20.377 58.817 1.00 0.00 H ATOM 1134 HE21 GLN B 96 -3.524 18.770 59.075 1.00 0.00 H ATOM 1135 H GLN B 96 -2.811 21.374 53.150 1.00 0.00 H ATOM 1136 N LEU B 97 1.045 20.017 52.972 1.00 27.10 N ATOM 1137 CA LEU B 97 1.832 19.318 51.967 1.00 27.89 C ATOM 1138 C LEU B 97 2.115 17.890 52.417 1.00 28.09 C ATOM 1139 O LEU B 97 2.874 17.666 53.360 1.00 29.30 O ATOM 1140 CB LEU B 97 3.143 20.060 51.689 1.00 28.36 C ATOM 1141 CG LEU B 97 4.238 19.312 50.918 1.00 27.09 C ATOM 1142 CD1 LEU B 97 3.735 18.812 49.574 1.00 26.34 C ATOM 1143 CD2 LEU B 97 5.462 20.196 50.736 1.00 27.90 C ATOM 1144 H LEU B 97 1.533 20.530 53.734 1.00 0.00 H ATOM 1145 N LEU B 98 1.489 16.930 51.745 1.00 27.04 N ATOM 1146 CA LEU B 98 1.732 15.521 52.026 1.00 28.13 C ATOM 1147 C LEU B 98 3.080 15.126 51.436 1.00 28.85 C ATOM 1148 O LEU B 98 3.154 14.518 50.368 1.00 27.73 O ATOM 1149 CB LEU B 98 0.610 14.648 51.458 1.00 27.60 C ATOM 1150 CG LEU B 98 0.179 13.427 52.276 1.00 28.91 C ATOM 1151 CD1 LEU B 98 -1.038 12.765 51.648 1.00 27.55 C ATOM 1152 CD2 LEU B 98 1.313 12.424 52.424 1.00 30.84 C ATOM 1153 H LEU B 98 0.810 17.190 51.001 1.00 0.00 H ATOM 1154 N ALA B 99 4.145 15.486 52.144 1.00 28.05 N ATOM 1155 CA ALA B 99 5.502 15.258 51.669 1.00 28.50 C ATOM 1156 C ALA B 99 5.891 13.789 51.764 1.00 30.10 C ATOM 1157 O ALA B 99 5.767 13.170 52.820 1.00 31.46 O ATOM 1158 CB ALA B 99 6.484 16.113 52.454 1.00 29.45 C ATOM 1159 H ALA B 99 4.005 15.945 53.067 1.00 0.00 H ATOM 1160 N VAL B 100 6.359 13.237 50.650 1.00 28.27 N ATOM 1161 CA VAL B 100 6.872 11.874 50.627 1.00 28.04 C ATOM 1162 C VAL B 100 8.329 11.887 50.165 1.00 28.22 C ATOM 1163 O VAL B 100 8.617 11.652 48.993 1.00 27.83 O ATOM 1164 CB VAL B 100 6.033 10.964 49.709 1.00 27.57 C ATOM 1165 CG1 VAL B 100 6.458 9.513 49.863 1.00 27.99 C ATOM 1166 CG2 VAL B 100 4.552 11.115 50.023 1.00 27.27 C ATOM 1167 H VAL B 100 6.359 13.793 49.771 1.00 0.00 H ATOM 1168 N PRO B 101 9.254 12.186 51.091 1.00 30.14 N ATOM 1169 CA PRO B 101 10.683 12.267 50.773 1.00 30.71 C ATOM 1170 C PRO B 101 11.306 10.888 50.573 1.00 30.87 C ATOM 1171 O PRO B 101 10.782 9.907 51.102 1.00 31.31 O ATOM 1172 CB PRO B 101 11.282 12.962 52.006 1.00 32.08 C ATOM 1173 CG PRO B 101 10.109 13.497 52.781 1.00 31.70 C ATOM 1174 CD PRO B 101 8.991 12.558 52.489 1.00 31.09 C ATOM 1175 N PRO B 102 12.411 10.815 49.812 1.00 30.24 N ATOM 1176 CA PRO B 102 13.119 9.555 49.558 1.00 29.30 C ATOM 1177 C PRO B 102 13.518 8.823 50.838 1.00 32.31 C ATOM 1178 O PRO B 102 14.193 9.395 51.693 1.00 34.13 O ATOM 1179 CB PRO B 102 14.362 10.005 48.786 1.00 28.85 C ATOM 1180 CG PRO B 102 13.942 11.261 48.112 1.00 28.60 C ATOM 1181 CD PRO B 102 13.013 11.941 49.077 1.00 29.35 C ATOM 1182 N GLY B 103 13.091 7.570 50.962 1.00 31.32 N ATOM 1183 CA GLY B 103 13.436 6.748 52.109 1.00 30.56 C ATOM 1184 C GLY B 103 12.810 7.213 53.410 1.00 31.83 C ATOM 1185 O GLY B 103 13.204 6.771 54.489 1.00 34.28 O ATOM 1186 H GLY B 103 12.491 7.166 50.215 1.00 0.00 H ATOM 1187 N GLU B 104 11.828 8.104 53.308 1.00 31.19 N ATOM 1188 CA GLU B 104 11.172 8.661 54.484 1.00 32.89 C ATOM 1189 C GLU B 104 9.655 8.536 54.386 1.00 33.24 C ATOM 1190 O GLU B 104 9.089 8.542 53.293 1.00 31.36 O ATOM 1191 CB GLU B 104 11.576 10.125 54.676 1.00 31.51 C ATOM 1192 CG GLU B 104 13.057 10.316 54.964 1.00 31.31 C ATOM 1193 CD GLU B 104 13.446 11.772 55.128 1.00 33.23 C ATOM 1194 OE1 GLU B 104 14.621 12.039 55.458 1.00 35.51 O ATOM 1195 OE2 GLU B 104 12.581 12.649 54.925 1.00 35.32 O ATOM 1196 H GLU B 104 11.520 8.412 52.363 1.00 0.00 H ATOM 1197 N ARG B 105 9.007 8.425 55.540 1.00 33.86 N ATOM 1198 CA ARG B 105 7.566 8.212 55.611 1.00 31.99 C ATOM 1199 C ARG B 105 6.785 9.434 55.134 1.00 31.26 C ATOM 1200 O ARG B 105 7.308 10.549 55.123 1.00 30.92 O ATOM 1201 CB ARG B 105 7.166 7.852 57.044 1.00 32.69 C ATOM 1202 CG ARG B 105 5.825 7.150 57.180 1.00 33.03 C ATOM 1203 CD ARG B 105 5.659 6.549 58.568 1.00 34.00 C ATOM 1204 NE ARG B 105 6.661 5.521 58.842 1.00 35.59 N ATOM 1205 CZ ARG B 105 7.737 5.705 59.602 1.00 36.54 C ATOM 1206 NH1 ARG B 105 7.956 6.880 60.175 1.00 37.83 N ATOM 1207 NH2 ARG B 105 8.594 4.710 59.791 1.00 35.94 N ATOM 1208 HE ARG B 105 6.524 4.583 58.414 1.00 0.00 H ATOM 1209 HH12 ARG B 105 8.798 7.020 60.769 1.00 0.00 H ATOM 1210 HH11 ARG B 105 7.285 7.662 60.031 1.00 0.00 H ATOM 1211 HH22 ARG B 105 9.435 4.854 60.385 1.00 0.00 H ATOM 1212 HH21 ARG B 105 8.425 3.786 59.345 1.00 0.00 H ATOM 1213 H ARG B 105 9.547 8.492 56.426 1.00 0.00 H ATOM 1214 N ALA B 106 5.537 9.210 54.732 1.00 31.36 N ATOM 1215 CA ALA B 106 4.642 10.292 54.336 1.00 29.76 C ATOM 1216 C ALA B 106 4.468 11.276 55.485 1.00 31.15 C ATOM 1217 O ALA B 106 4.300 10.873 56.636 1.00 34.13 O ATOM 1218 CB ALA B 106 3.297 9.739 53.897 1.00 28.76 C ATOM 1219 H ALA B 106 5.188 8.231 54.699 1.00 0.00 H ATOM 1220 N LYS B 107 4.507 12.566 55.172 1.00 32.08 N ATOM 1221 CA LYS B 107 4.546 13.588 56.209 1.00 33.41 C ATOM 1222 C LYS B 107 3.728 14.821 55.836 1.00 31.73 C ATOM 1223 O LYS B 107 3.939 15.424 54.785 1.00 29.66 O ATOM 1224 CB LYS B 107 5.999 13.978 56.485 1.00 33.95 C ATOM 1225 CG LYS B 107 6.231 14.693 57.801 1.00 34.09 C ATOM 1226 CD LYS B 107 7.591 14.320 58.373 1.00 35.68 C ATOM 1227 CE LYS B 107 8.693 14.459 57.332 1.00 36.25 C ATOM 1228 NZ LYS B 107 9.986 13.888 57.804 1.00 36.17 N ATOM 1229 HZ1 LYS B 107 10.289 14.385 58.666 1.00 0.00 H ATOM 1230 HZ2 LYS B 107 9.862 12.877 58.012 1.00 0.00 H ATOM 1231 HZ3 LYS B 107 10.706 14.005 57.063 1.00 0.00 H ATOM 1232 H LYS B 107 4.510 12.851 54.172 1.00 0.00 H ATOM 1233 N ASN B 108 2.791 15.187 56.707 1.00 32.18 N ATOM 1234 CA ASN B 108 1.950 16.359 56.492 1.00 30.20 C ATOM 1235 C ASN B 108 2.550 17.622 57.100 1.00 30.63 C ATOM 1236 O ASN B 108 2.896 17.651 58.282 1.00 32.97 O ATOM 1237 CB ASN B 108 0.551 16.130 57.067 1.00 29.86 C ATOM 1238 CG ASN B 108 -0.312 15.258 56.176 1.00 30.87 C ATOM 1239 OD1 ASN B 108 0.189 14.386 55.466 1.00 33.43 O ATOM 1240 ND2 ASN B 108 -1.619 15.495 56.205 1.00 30.20 N ATOM 1241 HD22 ASN B 108 -1.998 16.242 56.821 1.00 0.00 H ATOM 1242 HD21 ASN B 108 -2.263 14.933 55.612 1.00 0.00 H ATOM 1243 H ASN B 108 2.654 14.620 57.568 1.00 0.00 H ATOM 1244 N ILE B 109 2.670 18.666 56.285 1.00 29.41 N ATOM 1245 CA ILE B 109 3.192 19.949 56.743 1.00 29.68 C ATOM 1246 C ILE B 109 2.228 21.072 56.377 1.00 29.05 C ATOM 1247 O ILE B 109 2.069 21.403 55.203 1.00 29.83 O ATOM 1248 CB ILE B 109 4.576 20.248 56.138 1.00 31.43 C ATOM 1249 CG1 ILE B 109 5.554 19.114 56.450 1.00 31.87 C ATOM 1250 CG2 ILE B 109 5.113 21.571 56.660 1.00 33.90 C ATOM 1251 CD1 ILE B 109 5.861 18.956 57.920 1.00 33.70 C ATOM 1252 H ILE B 109 2.383 18.565 55.291 1.00 0.00 H ATOM 1253 N GLN B 110 1.588 21.656 57.386 1.00 29.45 N ATOM 1254 CA GLN B 110 0.586 22.692 57.157 1.00 29.09 C ATOM 1255 C GLN B 110 1.231 24.053 56.905 1.00 30.68 C ATOM 1256 O GLN B 110 2.170 24.442 57.598 1.00 32.05 O ATOM 1257 CB GLN B 110 -0.377 22.775 58.343 1.00 29.73 C ATOM 1258 CG GLN B 110 -1.554 23.713 58.124 1.00 31.10 C ATOM 1259 CD GLN B 110 -2.735 23.386 59.016 1.00 32.03 C ATOM 1260 OE1 GLN B 110 -2.835 22.282 59.553 1.00 31.51 O ATOM 1261 NE2 GLN B 110 -3.640 24.344 59.177 1.00 32.43 N ATOM 1262 HE22 GLN B 110 -3.515 25.262 58.704 1.00 0.00 H ATOM 1263 HE21 GLN B 110 -4.474 24.177 59.776 1.00 0.00 H ATOM 1264 H GLN B 110 1.807 21.368 58.361 1.00 0.00 H ATOM 1265 N THR B 111 0.718 24.771 55.909 1.00 29.43 N ATOM 1266 CA THR B 111 1.277 26.065 55.532 1.00 28.69 C ATOM 1267 C THR B 111 0.284 26.951 54.788 1.00 28.06 C ATOM 1268 O THR B 111 -0.620 26.461 54.112 1.00 27.29 O ATOM 1269 CB THR B 111 2.531 25.897 54.649 1.00 28.52 C ATOM 1270 OG1 THR B 111 3.007 27.187 54.246 1.00 29.85 O ATOM 1271 CG2 THR B 111 2.206 25.075 53.412 1.00 28.11 C ATOM 1272 HG1 THR B 111 3.812 27.078 53.679 1.00 0.00 H ATOM 1273 H THR B 111 -0.101 24.401 55.386 1.00 0.00 H ATOM 1274 N LEU B 112 0.465 28.261 54.921 1.00 28.43 N ATOM 1275 CA LEU B 112 -0.325 29.230 54.173 1.00 28.15 C ATOM 1276 C LEU B 112 0.404 29.605 52.889 1.00 27.95 C ATOM 1277 O LEU B 112 1.456 30.241 52.936 1.00 27.98 O ATOM 1278 CB LEU B 112 -0.592 30.480 55.013 1.00 29.00 C ATOM 1279 CG LEU B 112 -1.449 31.563 54.357 1.00 28.17 C ATOM 1280 CD1 LEU B 112 -2.879 31.082 54.170 1.00 27.52 C ATOM 1281 CD2 LEU B 112 -1.411 32.845 55.171 1.00 29.16 C ATOM 1282 H LEU B 112 1.193 28.605 55.579 1.00 0.00 H ATOM 1283 N PRO B 113 -0.152 29.209 51.735 1.00 26.57 N ATOM 1284 CA PRO B 113 0.491 29.432 50.434 1.00 26.98 C ATOM 1285 C PRO B 113 0.667 30.906 50.087 1.00 28.63 C ATOM 1286 O PRO B 113 -0.176 31.732 50.435 1.00 29.41 O ATOM 1287 CB PRO B 113 -0.474 28.768 49.445 1.00 25.96 C ATOM 1288 CG PRO B 113 -1.304 27.847 50.261 1.00 25.15 C ATOM 1289 CD PRO B 113 -1.429 28.489 51.602 1.00 25.97 C ATOM 1290 N GLY B 114 1.761 31.221 49.402 1.00 28.76 N ATOM 1291 CA GLY B 114 1.971 32.553 48.872 1.00 27.83 C ATOM 1292 C GLY B 114 1.271 32.685 47.536 1.00 27.95 C ATOM 1293 O GLY B 114 0.272 32.012 47.285 1.00 27.87 O ATOM 1294 H GLY B 114 2.486 30.492 49.242 1.00 0.00 H ATOM 1295 N ILE B 115 1.795 33.547 46.672 1.00 28.53 N ATOM 1296 CA ILE B 115 1.202 33.752 45.356 1.00 27.89 C ATOM 1297 C ILE B 115 2.264 34.007 44.288 1.00 27.81 C ATOM 1298 O ILE B 115 3.123 34.876 44.442 1.00 29.72 O ATOM 1299 CB ILE B 115 0.193 34.924 45.371 1.00 27.93 C ATOM 1300 CG1 ILE B 115 -1.164 34.451 45.899 1.00 26.63 C ATOM 1301 CG2 ILE B 115 0.017 35.509 43.981 1.00 29.33 C ATOM 1302 CD1 ILE B 115 -2.238 35.513 45.875 1.00 27.61 C ATOM 1303 H ILE B 115 2.644 34.085 46.939 1.00 0.00 H ATOM 1304 N PHE B 116 2.203 33.225 43.214 1.00 27.08 N ATOM 1305 CA PHE B 116 3.042 33.447 42.042 1.00 28.83 C ATOM 1306 C PHE B 116 2.357 34.421 41.090 1.00 28.69 C ATOM 1307 O PHE B 116 1.482 34.034 40.316 1.00 30.01 O ATOM 1308 CB PHE B 116 3.339 32.129 41.323 1.00 29.90 C ATOM 1309 CG PHE B 116 4.512 31.376 41.887 1.00 28.37 C ATOM 1310 CD1 PHE B 116 5.243 31.890 42.946 1.00 27.59 C ATOM 1311 CD2 PHE B 116 4.895 30.160 41.345 1.00 26.55 C ATOM 1312 CE1 PHE B 116 6.324 31.200 43.459 1.00 27.89 C ATOM 1313 CE2 PHE B 116 5.977 29.467 41.854 1.00 27.17 C ATOM 1314 CZ PHE B 116 6.691 29.987 42.912 1.00 28.15 C ATOM 1315 H PHE B 116 1.534 32.428 43.210 1.00 0.00 H ATOM 1316 N LYS B 117 2.755 35.687 41.155 1.00 29.56 N ATOM 1317 CA LYS B 117 2.155 36.718 40.318 1.00 29.69 C ATOM 1318 C LYS B 117 2.696 36.657 38.894 1.00 31.20 C ATOM 1319 O LYS B 117 3.785 37.156 38.611 1.00 33.02 O ATOM 1320 CB LYS B 117 2.401 38.103 40.919 1.00 31.30 C ATOM 1321 CG LYS B 117 1.691 38.342 42.245 1.00 33.00 C ATOM 1322 CD LYS B 117 2.186 39.614 42.913 1.00 34.58 C ATOM 1323 CE LYS B 117 3.630 39.468 43.375 1.00 35.41 C ATOM 1324 NZ LYS B 117 4.250 40.779 43.725 1.00 37.37 N ATOM 1325 HZ1 LYS B 117 4.240 41.400 42.890 1.00 0.00 H ATOM 1326 HZ2 LYS B 117 3.709 41.222 44.495 1.00 0.00 H ATOM 1327 HZ3 LYS B 117 5.231 40.626 44.033 1.00 0.00 H ATOM 1328 H LYS B 117 3.512 35.948 41.818 1.00 0.00 H ATOM 1329 N THR B 118 1.926 36.040 38.003 1.00 32.55 N ATOM 1330 CA THR B 118 2.325 35.891 36.608 1.00 31.56 C ATOM 1331 C THR B 118 1.562 36.858 35.711 1.00 32.22 C ATOM 1332 O THR B 118 0.674 37.576 36.169 1.00 32.04 O ATOM 1333 CB THR B 118 2.093 34.454 36.102 1.00 29.69 C ATOM 1334 OG1 THR B 118 0.688 34.214 35.965 1.00 29.52 O ATOM 1335 CG2 THR B 118 2.687 33.442 37.068 1.00 28.93 C ATOM 1336 HG1 THR B 118 0.247 34.329 36.844 1.00 0.00 H ATOM 1337 H THR B 118 1.011 35.652 38.310 1.00 0.00 H ATOM 1338 N LYS B 119 1.909 36.865 34.428 1.00 33.49 N ATOM 1339 CA LYS B 119 1.228 37.712 33.458 1.00 32.79 C ATOM 1340 C LYS B 119 -0.146 37.144 33.115 1.00 31.66 C ATOM 1341 O LYS B 119 -1.024 37.859 32.633 1.00 31.15 O ATOM 1342 CB LYS B 119 2.075 37.863 32.192 1.00 32.68 C ATOM 1343 CG LYS B 119 2.216 36.585 31.382 1.00 33.20 C ATOM 1344 CD LYS B 119 3.297 36.720 30.323 1.00 34.63 C ATOM 1345 CE LYS B 119 3.021 35.809 29.138 1.00 35.10 C ATOM 1346 NZ LYS B 119 1.799 36.238 28.399 1.00 34.94 N ATOM 1347 HZ1 LYS B 119 0.980 36.207 29.039 1.00 0.00 H ATOM 1348 HZ2 LYS B 119 1.930 37.208 28.048 1.00 0.00 H ATOM 1349 HZ3 LYS B 119 1.638 35.597 27.596 1.00 0.00 H ATOM 1350 H LYS B 119 2.685 36.251 34.109 1.00 0.00 H ATOM 1351 N ASP B 120 -0.321 35.851 33.372 1.00 33.15 N ATOM 1352 CA ASP B 120 -1.590 35.176 33.126 1.00 31.54 C ATOM 1353 C ASP B 120 -2.190 34.661 34.428 1.00 30.11 C ATOM 1354 O ASP B 120 -2.154 33.463 34.708 1.00 31.19 O ATOM 1355 CB ASP B 120 -1.402 34.021 32.141 1.00 30.21 C ATOM 1356 CG ASP B 120 -0.977 34.491 30.765 1.00 30.45 C ATOM 1357 OD1 ASP B 120 -1.635 35.400 30.217 1.00 30.47 O ATOM 1358 OD2 ASP B 120 0.020 33.957 30.234 1.00 31.22 O ATOM 1359 H ASP B 120 0.473 35.303 33.761 1.00 0.00 H ATOM 1360 N GLY B 121 -2.737 35.573 35.224 1.00 29.20 N ATOM 1361 CA GLY B 121 -3.319 35.211 36.502 1.00 29.06 C ATOM 1362 C GLY B 121 -2.260 34.931 37.549 1.00 30.74 C ATOM 1363 O GLY B 121 -1.063 34.969 37.263 1.00 31.77 O ATOM 1364 H GLY B 121 -2.748 36.569 34.924 1.00 0.00 H ATOM 1365 N ASP B 122 -2.701 34.647 38.769 1.00 29.95 N ATOM 1366 CA ASP B 122 -1.781 34.373 39.864 1.00 28.38 C ATOM 1367 C ASP B 122 -1.896 32.924 40.324 1.00 27.74 C ATOM 1368 O ASP B 122 -2.975 32.333 40.277 1.00 27.39 O ATOM 1369 CB ASP B 122 -2.042 35.327 41.030 1.00 29.78 C ATOM 1370 CG ASP B 122 -2.095 36.778 40.591 1.00 33.07 C ATOM 1371 OD1 ASP B 122 -1.021 37.367 40.346 1.00 34.70 O ATOM 1372 OD2 ASP B 122 -3.210 37.331 40.495 1.00 35.34 O ATOM 1373 H ASP B 122 -3.725 34.620 38.946 1.00 0.00 H ATOM 1374 N ILE B 123 -0.777 32.358 40.765 1.00 27.40 N ATOM 1375 CA ILE B 123 -0.730 30.962 41.193 1.00 26.90 C ATOM 1376 C ILE B 123 -0.301 30.849 42.652 1.00 26.82 C ATOM 1377 O ILE B 123 0.614 31.544 43.091 1.00 28.04 O ATOM 1378 CB ILE B 123 0.243 30.139 40.324 1.00 26.14 C ATOM 1379 CG1 ILE B 123 0.064 30.478 38.841 1.00 27.64 C ATOM 1380 CG2 ILE B 123 0.053 28.648 40.565 1.00 25.15 C ATOM 1381 CD1 ILE B 123 1.048 29.771 37.935 1.00 28.99 C ATOM 1382 H ILE B 123 0.093 32.927 40.807 1.00 0.00 H ATOM 1383 N GLY B 124 -0.962 29.971 43.400 1.00 24.81 N ATOM 1384 CA GLY B 124 -0.578 29.707 44.775 1.00 25.11 C ATOM 1385 C GLY B 124 0.798 29.074 44.845 1.00 25.63 C ATOM 1386 O GLY B 124 1.252 28.451 43.884 1.00 25.54 O ATOM 1387 H GLY B 124 -1.772 29.462 42.991 1.00 0.00 H ATOM 1388 N ALA B 125 1.466 29.228 45.983 1.00 25.16 N ATOM 1389 CA ALA B 125 2.831 28.735 46.126 1.00 25.69 C ATOM 1390 C ALA B 125 3.193 28.439 47.578 1.00 27.43 C ATOM 1391 O ALA B 125 3.023 29.283 48.456 1.00 28.53 O ATOM 1392 CB ALA B 125 3.811 29.737 45.537 1.00 26.33 C ATOM 1393 H ALA B 125 1.008 29.708 46.784 1.00 0.00 H ATOM 1394 N VAL B 126 3.703 27.235 47.819 1.00 27.76 N ATOM 1395 CA VAL B 126 4.138 26.839 49.153 1.00 27.52 C ATOM 1396 C VAL B 126 5.642 27.056 49.322 1.00 28.73 C ATOM 1397 O VAL B 126 6.443 26.605 48.503 1.00 28.78 O ATOM 1398 CB VAL B 126 3.782 25.365 49.447 1.00 27.02 C ATOM 1399 CG1 VAL B 126 2.295 25.227 49.728 1.00 25.53 C ATOM 1400 CG2 VAL B 126 4.190 24.467 48.287 1.00 27.08 C ATOM 1401 H VAL B 126 3.794 26.558 47.035 1.00 0.00 H ATOM 1402 N ALA B 127 6.019 27.760 50.384 1.00 29.18 N ATOM 1403 CA ALA B 127 7.424 28.056 50.643 1.00 30.88 C ATOM 1404 C ALA B 127 8.059 26.980 51.517 1.00 31.37 C ATOM 1405 O ALA B 127 8.420 27.233 52.667 1.00 30.43 O ATOM 1406 CB ALA B 127 7.569 29.423 51.291 1.00 31.43 C ATOM 1407 H ALA B 127 5.296 28.108 51.046 1.00 0.00 H ATOM 1408 N LEU B 128 8.191 25.779 50.963 1.00 31.75 N ATOM 1409 CA LEU B 128 8.769 24.654 51.688 1.00 31.47 C ATOM 1410 C LEU B 128 9.818 23.944 50.839 1.00 30.72 C ATOM 1411 O LEU B 128 9.618 23.728 49.643 1.00 29.02 O ATOM 1412 CB LEU B 128 7.674 23.671 52.109 1.00 30.07 C ATOM 1413 CG LEU B 128 6.618 24.197 53.083 1.00 28.71 C ATOM 1414 CD1 LEU B 128 5.483 23.197 53.239 1.00 28.24 C ATOM 1415 CD2 LEU B 128 7.247 24.506 54.431 1.00 29.84 C ATOM 1416 H LEU B 128 7.872 25.638 49.983 1.00 0.00 H ATOM 1417 N ASP B 129 10.936 23.581 51.461 1.00 31.85 N ATOM 1418 CA ASP B 129 12.026 22.927 50.747 1.00 32.13 C ATOM 1419 C ASP B 129 12.143 21.457 51.138 1.00 31.47 C ATOM 1420 O ASP B 129 12.034 21.101 52.312 1.00 32.19 O ATOM 1421 CB ASP B 129 13.349 23.652 51.010 1.00 33.44 C ATOM 1422 CG ASP B 129 14.416 23.321 49.977 1.00 32.55 C ATOM 1423 OD1 ASP B 129 14.508 22.149 49.556 1.00 31.22 O ATOM 1424 OD2 ASP B 129 15.163 24.241 49.581 1.00 32.63 O ATOM 1425 H ASP B 129 11.035 23.768 52.479 1.00 0.00 H ATOM 1426 N TYR B 130 12.371 20.612 50.139 1.00 31.20 N ATOM 1427 CA TYR B 130 12.521 19.179 50.345 1.00 29.97 C ATOM 1428 C TYR B 130 13.570 18.632 49.380 1.00 30.43 C ATOM 1429 O TYR B 130 13.862 19.264 48.368 1.00 30.74 O ATOM 1430 CB TYR B 130 11.176 18.469 50.165 1.00 30.33 C ATOM 1431 CG TYR B 130 10.361 18.405 51.438 1.00 32.00 C ATOM 1432 CD1 TYR B 130 10.531 17.361 52.337 1.00 34.02 C ATOM 1433 CD2 TYR B 130 9.435 19.392 51.748 1.00 31.80 C ATOM 1434 CE1 TYR B 130 9.798 17.296 53.504 1.00 34.07 C ATOM 1435 CE2 TYR B 130 8.695 19.337 52.916 1.00 31.32 C ATOM 1436 CZ TYR B 130 8.883 18.285 53.790 1.00 32.37 C ATOM 1437 OH TYR B 130 8.156 18.214 54.953 1.00 32.68 O ATOM 1438 HH TYR B 130 8.417 17.402 55.455 1.00 0.00 H ATOM 1439 H TYR B 130 12.445 20.989 49.172 1.00 0.00 H ATOM 1440 N PRO B 131 14.162 17.468 49.698 1.00 31.38 N ATOM 1441 CA PRO B 131 15.190 16.911 48.812 1.00 31.94 C ATOM 1442 C PRO B 131 14.653 16.547 47.430 1.00 30.46 C ATOM 1443 O PRO B 131 13.463 16.264 47.282 1.00 28.67 O ATOM 1444 CB PRO B 131 15.658 15.656 49.560 1.00 31.55 C ATOM 1445 CG PRO B 131 14.529 15.312 50.473 1.00 31.33 C ATOM 1446 CD PRO B 131 13.960 16.630 50.893 1.00 30.63 C ATOM 1447 N ALA B 132 15.532 16.563 46.432 1.00 30.66 N ATOM 1448 CA ALA B 132 15.155 16.229 45.063 1.00 30.29 C ATOM 1449 C ALA B 132 14.640 14.797 44.972 1.00 29.64 C ATOM 1450 O ALA B 132 15.387 13.842 45.186 1.00 30.33 O ATOM 1451 CB ALA B 132 16.335 16.431 44.125 1.00 31.63 C ATOM 1452 H ALA B 132 16.519 16.822 46.634 1.00 0.00 H ATOM 1453 N GLY B 133 13.358 14.658 44.651 1.00 26.91 N ATOM 1454 CA GLY B 133 12.716 13.358 44.596 1.00 26.68 C ATOM 1455 C GLY B 133 11.365 13.399 45.284 1.00 26.66 C ATOM 1456 O GLY B 133 10.676 12.384 45.388 1.00 26.57 O ATOM 1457 H GLY B 133 12.798 15.507 44.433 1.00 0.00 H ATOM 1458 N THR B 134 10.991 14.585 45.752 1.00 26.38 N ATOM 1459 CA THR B 134 9.731 14.777 46.459 1.00 26.34 C ATOM 1460 C THR B 134 8.677 15.352 45.515 1.00 26.81 C ATOM 1461 O THR B 134 7.537 15.599 45.910 1.00 27.39 O ATOM 1462 CB THR B 134 9.908 15.710 47.678 1.00 26.86 C ATOM 1463 OG1 THR B 134 11.201 15.503 48.259 1.00 27.42 O ATOM 1464 CG2 THR B 134 8.839 15.440 48.730 1.00 26.97 C ATOM 1465 HG1 THR B 134 11.900 15.704 47.587 1.00 0.00 H ATOM 1466 H THR B 134 11.618 15.403 45.609 1.00 0.00 H ATOM 1467 N SER B 135 9.070 15.559 44.261 1.00 26.38 N ATOM 1468 CA SER B 135 8.165 16.094 43.248 1.00 25.10 C ATOM 1469 C SER B 135 6.945 15.204 43.056 1.00 25.32 C ATOM 1470 O SER B 135 7.053 13.979 43.046 1.00 27.73 O ATOM 1471 CB SER B 135 8.893 16.268 41.915 1.00 24.96 C ATOM 1472 OG SER B 135 9.456 17.560 41.804 1.00 27.40 O ATOM 1473 HG SER B 135 9.920 17.643 40.933 1.00 0.00 H ATOM 1474 H SER B 135 10.050 15.333 43.995 1.00 0.00 H ATOM 1475 N GLY B 136 5.783 15.830 42.908 1.00 23.83 N ATOM 1476 CA GLY B 136 4.548 15.099 42.707 1.00 23.40 C ATOM 1477 C GLY B 136 3.734 14.950 43.975 1.00 23.53 C ATOM 1478 O GLY B 136 2.616 14.437 43.942 1.00 23.15 O ATOM 1479 H GLY B 136 5.759 16.869 42.937 1.00 0.00 H ATOM 1480 N SER B 137 4.293 15.393 45.097 1.00 23.75 N ATOM 1481 CA SER B 137 3.581 15.340 46.368 1.00 24.05 C ATOM 1482 C SER B 137 2.352 16.239 46.314 1.00 23.40 C ATOM 1483 O SER B 137 2.450 17.410 45.950 1.00 22.91 O ATOM 1484 CB SER B 137 4.496 15.750 47.524 1.00 24.68 C ATOM 1485 OG SER B 137 5.560 14.827 47.685 1.00 25.47 O ATOM 1486 HG SER B 137 6.096 14.794 46.853 1.00 0.00 H ATOM 1487 H SER B 137 5.256 15.785 45.067 1.00 0.00 H ATOM 1488 N PRO B 138 1.183 15.686 46.666 1.00 23.48 N ATOM 1489 CA PRO B 138 -0.090 16.406 46.559 1.00 22.99 C ATOM 1490 C PRO B 138 -0.280 17.473 47.633 1.00 23.14 C ATOM 1491 O PRO B 138 0.021 17.242 48.805 1.00 23.84 O ATOM 1492 CB PRO B 138 -1.129 15.293 46.718 1.00 24.24 C ATOM 1493 CG PRO B 138 -0.446 14.272 47.558 1.00 24.30 C ATOM 1494 CD PRO B 138 1.001 14.307 47.150 1.00 25.01 C ATOM 1495 N ILE B 139 -0.773 18.637 47.224 1.00 22.60 N ATOM 1496 CA ILE B 139 -1.141 19.687 48.163 1.00 22.80 C ATOM 1497 C ILE B 139 -2.606 19.512 48.541 1.00 22.95 C ATOM 1498 O ILE B 139 -3.454 19.311 47.671 1.00 22.54 O ATOM 1499 CB ILE B 139 -0.923 21.092 47.572 1.00 22.30 C ATOM 1500 CG1 ILE B 139 0.399 21.157 46.804 1.00 22.09 C ATOM 1501 CG2 ILE B 139 -0.962 22.141 48.670 1.00 22.71 C ATOM 1502 CD1 ILE B 139 1.622 21.044 47.681 1.00 22.69 C ATOM 1503 H ILE B 139 -0.900 18.803 46.205 1.00 0.00 H ATOM 1504 N LEU B 140 -2.908 19.586 49.833 1.00 23.64 N ATOM 1505 CA LEU B 140 -4.262 19.308 50.299 1.00 24.51 C ATOM 1506 C LEU B 140 -4.910 20.485 51.018 1.00 25.14 C ATOM 1507 O LEU B 140 -4.235 21.276 51.678 1.00 27.41 O ATOM 1508 CB LEU B 140 -4.262 18.093 51.228 1.00 26.79 C ATOM 1509 CG LEU B 140 -3.656 16.804 50.677 1.00 27.43 C ATOM 1510 CD1 LEU B 140 -3.843 15.664 51.665 1.00 28.59 C ATOM 1511 CD2 LEU B 140 -4.262 16.460 49.328 1.00 26.46 C ATOM 1512 H LEU B 140 -2.171 19.845 50.519 1.00 0.00 H ATOM 1513 N ASP B 141 -6.229 20.585 50.883 1.00 24.41 N ATOM 1514 CA ASP B 141 -7.013 21.548 51.646 1.00 26.44 C ATOM 1515 C ASP B 141 -7.611 20.864 52.876 1.00 28.85 C ATOM 1516 O ASP B 141 -7.411 19.666 53.082 1.00 28.41 O ATOM 1517 CB ASP B 141 -8.112 22.173 50.778 1.00 25.35 C ATOM 1518 CG ASP B 141 -8.960 21.137 50.053 1.00 24.17 C ATOM 1519 OD1 ASP B 141 -9.077 19.995 50.541 1.00 25.22 O ATOM 1520 OD2 ASP B 141 -9.520 21.475 48.989 1.00 23.66 O ATOM 1521 H ASP B 141 -6.716 19.957 50.212 1.00 0.00 H ATOM 1522 N LYS B 142 -8.356 21.617 53.680 1.00 29.69 N ATOM 1523 CA LYS B 142 -8.888 21.102 54.941 1.00 30.11 C ATOM 1524 C LYS B 142 -10.151 20.264 54.735 1.00 30.16 C ATOM 1525 O LYS B 142 -10.980 20.131 55.641 1.00 34.06 O ATOM 1526 CB LYS B 142 -9.174 22.257 55.903 1.00 31.33 C ATOM 1527 H LYS B 142 -8.566 22.598 53.405 1.00 0.00 H ATOM 1528 N CYS B 143 -10.274 19.703 53.533 1.00 28.28 N ATOM 1529 CA CYS B 143 -11.380 18.835 53.146 1.00 29.58 C ATOM 1530 C CYS B 143 -10.841 17.510 52.605 1.00 31.64 C ATOM 1531 O CYS B 143 -11.606 16.616 52.246 1.00 32.44 O ATOM 1532 CB CYS B 143 -12.259 19.511 52.091 1.00 29.48 C ATOM 1533 SG CYS B 143 -13.332 20.831 52.712 1.00 32.67 S ATOM 1534 H CYS B 143 -9.535 19.896 52.827 1.00 0.00 H ATOM 1535 N GLY B 144 -9.516 17.403 52.536 1.00 30.61 N ATOM 1536 CA GLY B 144 -8.856 16.194 52.071 1.00 29.39 C ATOM 1537 C GLY B 144 -8.682 16.088 50.562 1.00 26.64 C ATOM 1538 O GLY B 144 -8.229 15.058 50.062 1.00 27.76 O ATOM 1539 H GLY B 144 -8.932 18.213 52.825 1.00 0.00 H ATOM 1540 N ARG B 145 -9.033 17.145 49.835 1.00 25.73 N ATOM 1541 CA ARG B 145 -8.934 17.135 48.376 1.00 25.64 C ATOM 1542 C ARG B 145 -7.563 17.594 47.872 1.00 23.29 C ATOM 1543 O ARG B 145 -6.916 18.442 48.484 1.00 23.34 O ATOM 1544 CB ARG B 145 -10.024 18.018 47.763 1.00 26.21 C ATOM 1545 CG ARG B 145 -11.437 17.706 48.222 1.00 26.84 C ATOM 1546 CD ARG B 145 -12.435 18.630 47.541 1.00 25.91 C ATOM 1547 NE ARG B 145 -12.239 20.026 47.924 1.00 26.11 N ATOM 1548 CZ ARG B 145 -13.151 20.760 48.553 1.00 28.03 C ATOM 1549 NH1 ARG B 145 -14.328 20.235 48.864 1.00 29.94 N ATOM 1550 NH2 ARG B 145 -12.891 22.023 48.865 1.00 29.08 N ATOM 1551 HE ARG B 145 -11.330 20.473 47.690 1.00 0.00 H ATOM 1552 HH12 ARG B 145 -15.041 20.811 49.356 1.00 0.00 H ATOM 1553 HH11 ARG B 145 -14.539 19.247 48.616 1.00 0.00 H ATOM 1554 HH22 ARG B 145 -13.607 22.595 49.357 1.00 0.00 H ATOM 1555 HH21 ARG B 145 -11.972 22.441 48.617 1.00 0.00 H ATOM 1556 H ARG B 145 -9.386 17.998 50.315 1.00 0.00 H ATOM 1557 N VAL B 146 -7.132 17.035 46.744 1.00 22.82 N ATOM 1558 CA VAL B 146 -5.861 17.420 46.135 1.00 22.34 C ATOM 1559 C VAL B 146 -6.038 18.683 45.296 1.00 21.75 C ATOM 1560 O VAL B 146 -6.757 18.678 44.298 1.00 21.47 O ATOM 1561 CB VAL B 146 -5.286 16.296 45.252 1.00 22.24 C ATOM 1562 CG1 VAL B 146 -3.973 16.732 44.628 1.00 21.86 C ATOM 1563 CG2 VAL B 146 -5.097 15.023 46.065 1.00 22.94 C ATOM 1564 H VAL B 146 -7.714 16.306 46.285 1.00 0.00 H ATOM 1565 N ILE B 147 -5.382 19.765 45.706 1.00 21.67 N ATOM 1566 CA ILE B 147 -5.536 21.050 45.032 1.00 21.25 C ATOM 1567 C ILE B 147 -4.332 21.383 44.159 1.00 20.85 C ATOM 1568 O ILE B 147 -4.235 22.481 43.612 1.00 20.59 O ATOM 1569 CB ILE B 147 -5.748 22.191 46.041 1.00 21.55 C ATOM 1570 CG1 ILE B 147 -4.518 22.354 46.931 1.00 21.82 C ATOM 1571 CG2 ILE B 147 -6.986 21.931 46.883 1.00 22.08 C ATOM 1572 CD1 ILE B 147 -4.627 23.491 47.919 1.00 22.22 C ATOM 1573 H ILE B 147 -4.745 19.694 46.525 1.00 0.00 H ATOM 1574 N GLY B 148 -3.416 20.430 44.032 1.00 20.91 N ATOM 1575 CA GLY B 148 -2.228 20.629 43.224 1.00 20.68 C ATOM 1576 C GLY B 148 -1.085 19.726 43.639 1.00 21.02 C ATOM 1577 O GLY B 148 -1.203 18.950 44.588 1.00 21.45 O ATOM 1578 H GLY B 148 -3.553 19.523 44.522 1.00 0.00 H ATOM 1579 N LEU B 149 0.029 19.834 42.923 1.00 20.93 N ATOM 1580 CA LEU B 149 1.188 18.994 43.185 1.00 21.35 C ATOM 1581 C LEU B 149 2.425 19.823 43.517 1.00 21.52 C ATOM 1582 O LEU B 149 2.587 20.943 43.034 1.00 21.28 O ATOM 1583 CB LEU B 149 1.473 18.091 41.984 1.00 21.33 C ATOM 1584 CG LEU B 149 0.394 17.073 41.612 1.00 21.32 C ATOM 1585 CD1 LEU B 149 0.859 16.193 40.461 1.00 21.46 C ATOM 1586 CD2 LEU B 149 0.010 16.230 42.819 1.00 22.10 C ATOM 1587 H LEU B 149 0.074 20.536 42.157 1.00 0.00 H ATOM 1588 N TYR B 150 3.311 19.236 44.308 1.00 22.09 N ATOM 1589 CA TYR B 150 4.553 19.870 44.715 1.00 22.42 C ATOM 1590 C TYR B 150 5.697 19.431 43.798 1.00 22.61 C ATOM 1591 O TYR B 150 5.720 18.296 43.335 1.00 23.14 O ATOM 1592 CB TYR B 150 4.846 19.497 46.173 1.00 23.12 C ATOM 1593 CG TYR B 150 6.206 19.900 46.693 1.00 23.69 C ATOM 1594 CD1 TYR B 150 7.283 19.033 46.615 1.00 24.27 C ATOM 1595 CD2 TYR B 150 6.404 21.136 47.289 1.00 24.35 C ATOM 1596 CE1 TYR B 150 8.525 19.390 47.100 1.00 24.91 C ATOM 1597 CE2 TYR B 150 7.642 21.503 47.778 1.00 26.00 C ATOM 1598 CZ TYR B 150 8.700 20.626 47.681 1.00 25.79 C ATOM 1599 OH TYR B 150 9.936 20.984 48.164 1.00 26.88 O ATOM 1600 HH TYR B 150 10.575 20.243 48.014 1.00 0.00 H ATOM 1601 H TYR B 150 3.108 18.276 44.654 1.00 0.00 H ATOM 1602 N GLY B 151 6.647 20.327 43.548 1.00 22.69 N ATOM 1603 CA GLY B 151 7.795 20.016 42.710 1.00 23.05 C ATOM 1604 C GLY B 151 8.245 20.983 41.626 1.00 23.77 C ATOM 1605 O GLY B 151 9.394 20.903 41.204 1.00 25.85 O ATOM 1606 H GLY B 151 6.567 21.277 43.963 1.00 0.00 H ATOM 1607 N ASN B 152 7.397 21.910 41.194 1.00 22.55 N ATOM 1608 CA ASN B 152 7.832 22.908 40.223 1.00 22.64 C ATOM 1609 C ASN B 152 7.661 24.327 40.747 1.00 22.61 C ATOM 1610 O ASN B 152 6.546 24.765 41.024 1.00 22.14 O ATOM 1611 CB ASN B 152 7.063 22.743 38.911 1.00 22.23 C ATOM 1612 CG ASN B 152 7.627 23.597 37.794 1.00 22.50 C ATOM 1613 OD1 ASN B 152 8.807 23.945 37.798 1.00 23.05 O ATOM 1614 ND2 ASN B 152 6.783 23.937 36.827 1.00 22.18 N ATOM 1615 HD22 ASN B 152 5.793 23.620 36.865 1.00 0.00 H ATOM 1616 HD21 ASN B 152 7.112 24.521 36.031 1.00 0.00 H ATOM 1617 H ASN B 152 6.420 21.924 41.549 1.00 0.00 H ATOM 1618 N GLY B 153 8.770 25.045 40.880 1.00 23.52 N ATOM 1619 CA GLY B 153 8.725 26.404 41.383 1.00 24.20 C ATOM 1620 C GLY B 153 10.057 27.115 41.277 1.00 25.58 C ATOM 1621 O GLY B 153 10.770 26.982 40.282 1.00 25.21 O ATOM 1622 H GLY B 153 9.685 24.626 40.619 1.00 0.00 H ATOM 1623 N VAL B 154 10.391 27.879 42.310 1.00 28.01 N ATOM 1624 CA VAL B 154 11.631 28.643 42.319 1.00 27.28 C ATOM 1625 C VAL B 154 12.348 28.592 43.656 1.00 27.33 C ATOM 1626 O VAL B 154 11.800 28.138 44.661 1.00 27.81 O ATOM 1627 CB VAL B 154 11.386 30.127 41.984 1.00 25.81 C ATOM 1628 CG1 VAL B 154 11.013 30.300 40.524 1.00 25.46 C ATOM 1629 CG2 VAL B 154 10.316 30.708 42.899 1.00 24.56 C ATOM 1630 H VAL B 154 9.754 27.933 43.130 1.00 0.00 H ATOM 1631 N VAL B 155 13.586 29.068 43.650 1.00 29.65 N ATOM 1632 CA VAL B 155 14.301 29.351 44.882 1.00 30.59 C ATOM 1633 C VAL B 155 14.620 30.847 44.921 1.00 30.08 C ATOM 1634 O VAL B 155 15.035 31.434 43.920 1.00 28.93 O ATOM 1635 CB VAL B 155 15.591 28.513 45.021 1.00 31.78 C ATOM 1636 CG1 VAL B 155 15.246 27.039 45.176 1.00 31.98 C ATOM 1637 CG2 VAL B 155 16.520 28.722 43.832 1.00 31.64 C ATOM 1638 H VAL B 155 14.057 29.243 42.739 1.00 0.00 H ATOM 1639 N ILE B 156 14.398 31.457 46.083 1.00 30.27 N ATOM 1640 CA ILE B 156 14.609 32.889 46.280 1.00 30.88 C ATOM 1641 C ILE B 156 16.020 33.241 46.756 1.00 32.95 C ATOM 1642 O ILE B 156 16.953 32.442 46.635 1.00 34.68 O ATOM 1643 CB ILE B 156 13.602 33.466 47.294 1.00 30.89 C ATOM 1644 CG1 ILE B 156 13.576 32.601 48.558 1.00 31.13 C ATOM 1645 CG2 ILE B 156 12.227 33.597 46.654 1.00 31.30 C ATOM 1646 CD1 ILE B 156 12.481 32.927 49.542 1.00 31.15 C ATOM 1647 H ILE B 156 14.059 30.889 46.886 1.00 0.00 H ATOM 1648 N LYS B 157 16.149 34.453 47.294 1.00 34.64 N ATOM 1649 CA LYS B 157 17.424 35.004 47.748 1.00 34.67 C ATOM 1650 C LYS B 157 18.143 34.039 48.678 1.00 35.43 C ATOM 1651 O LYS B 157 19.344 33.812 48.548 1.00 36.14 O ATOM 1652 CB LYS B 157 17.204 36.340 48.456 1.00 33.41 C ATOM 1653 H LYS B 157 15.296 35.039 47.396 1.00 0.00 H ATOM 1654 N ASN B 158 17.349 33.502 49.593 1.00 34.71 N ATOM 1655 CA ASN B 158 17.745 32.482 50.522 1.00 34.39 C ATOM 1656 C ASN B 158 17.545 31.219 49.691 1.00 34.71 C ATOM 1657 O ASN B 158 16.807 31.230 48.710 1.00 34.75 O ATOM 1658 CB ASN B 158 16.832 32.519 51.755 1.00 34.39 C ATOM 1659 CG ASN B 158 16.599 31.150 52.372 1.00 35.64 C ATOM 1660 OD1 ASN B 158 17.402 30.234 52.204 1.00 36.26 O ATOM 1661 ND2 ASN B 158 15.489 31.007 53.085 1.00 36.37 N ATOM 1662 HD22 ASN B 158 14.838 31.810 53.201 1.00 0.00 H ATOM 1663 HD21 ASN B 158 15.270 30.092 53.528 1.00 0.00 H ATOM 1664 H ASN B 158 16.368 33.844 49.641 1.00 0.00 H ATOM 1665 N GLY B 159 18.189 30.134 50.081 1.00 34.72 N ATOM 1666 CA GLY B 159 18.065 28.881 49.366 1.00 34.28 C ATOM 1667 C GLY B 159 16.682 28.250 49.372 1.00 33.98 C ATOM 1668 O GLY B 159 16.373 27.441 48.506 1.00 33.34 O ATOM 1669 H GLY B 159 18.800 30.181 50.922 1.00 0.00 H ATOM 1670 N SER B 160 15.863 28.585 50.365 1.00 34.71 N ATOM 1671 CA SER B 160 14.538 27.977 50.508 1.00 33.43 C ATOM 1672 C SER B 160 13.731 27.849 49.216 1.00 31.51 C ATOM 1673 O SER B 160 13.715 28.750 48.379 1.00 29.36 O ATOM 1674 CB SER B 160 13.718 28.752 51.540 1.00 32.15 C ATOM 1675 OG SER B 160 13.451 30.067 51.090 1.00 31.10 O ATOM 1676 HG SER B 160 12.941 30.027 50.243 1.00 0.00 H ATOM 1677 H SER B 160 16.171 29.297 51.058 1.00 0.00 H ATOM 1678 N TYR B 161 13.061 26.706 49.081 1.00 30.21 N ATOM 1679 CA TYR B 161 12.259 26.395 47.897 1.00 27.25 C ATOM 1680 C TYR B 161 10.834 26.932 48.007 1.00 26.17 C ATOM 1681 O TYR B 161 10.182 26.783 49.042 1.00 26.73 O ATOM 1682 CB TYR B 161 12.234 24.879 47.660 1.00 28.11 C ATOM 1683 CG TYR B 161 11.719 24.443 46.304 1.00 27.62 C ATOM 1684 CD1 TYR B 161 12.318 24.891 45.134 1.00 28.17 C ATOM 1685 CD2 TYR B 161 10.654 23.559 46.196 1.00 26.20 C ATOM 1686 CE1 TYR B 161 11.857 24.485 43.890 1.00 28.07 C ATOM 1687 CE2 TYR B 161 10.188 23.145 44.957 1.00 25.15 C ATOM 1688 CZ TYR B 161 10.792 23.612 43.809 1.00 27.81 C ATOM 1689 OH TYR B 161 10.332 23.206 42.576 1.00 30.09 O ATOM 1690 HH TYR B 161 10.874 23.633 41.866 1.00 0.00 H ATOM 1691 H TYR B 161 13.110 26.006 49.848 1.00 0.00 H ATOM 1692 N VAL B 162 10.366 27.568 46.934 1.00 25.92 N ATOM 1693 CA VAL B 162 8.980 28.017 46.836 1.00 26.28 C ATOM 1694 C VAL B 162 8.287 27.335 45.656 1.00 24.53 C ATOM 1695 O VAL B 162 8.259 27.869 44.546 1.00 24.00 O ATOM 1696 CB VAL B 162 8.879 29.546 46.670 1.00 27.23 C ATOM 1697 CG1 VAL B 162 7.422 29.992 46.719 1.00 25.20 C ATOM 1698 CG2 VAL B 162 9.690 30.254 47.743 1.00 28.82 C ATOM 1699 H VAL B 162 11.010 27.751 46.138 1.00 0.00 H ATOM 1700 N SER B 163 7.735 26.151 45.900 1.00 24.53 N ATOM 1701 CA SER B 163 7.039 25.397 44.864 1.00 23.91 C ATOM 1702 C SER B 163 5.675 25.996 44.549 1.00 23.88 C ATOM 1703 O SER B 163 4.992 26.497 45.438 1.00 22.49 O ATOM 1704 CB SER B 163 6.872 23.938 45.291 1.00 23.18 C ATOM 1705 OG SER B 163 6.070 23.216 44.368 1.00 22.55 O ATOM 1706 HG SER B 163 5.174 23.633 44.315 1.00 0.00 H ATOM 1707 H SER B 163 7.801 25.751 46.858 1.00 0.00 H ATOM 1708 N ALA B 164 5.279 25.940 43.282 1.00 24.51 N ATOM 1709 CA ALA B 164 3.942 26.362 42.895 1.00 22.63 C ATOM 1710 C ALA B 164 2.941 25.262 43.221 1.00 21.55 C ATOM 1711 O ALA B 164 3.301 24.087 43.292 1.00 22.91 O ATOM 1712 CB ALA B 164 3.891 26.707 41.415 1.00 22.34 C ATOM 1713 H ALA B 164 5.935 25.589 42.556 1.00 0.00 H ATOM 1714 N ILE B 165 1.688 25.646 43.432 1.00 21.37 N ATOM 1715 CA ILE B 165 0.619 24.669 43.595 1.00 21.51 C ATOM 1716 C ILE B 165 0.103 24.306 42.207 1.00 22.05 C ATOM 1717 O ILE B 165 -0.904 24.840 41.740 1.00 21.79 O ATOM 1718 CB ILE B 165 -0.519 25.200 44.482 1.00 20.86 C ATOM 1719 CG1 ILE B 165 0.047 25.736 45.802 1.00 21.36 C ATOM 1720 CG2 ILE B 165 -1.544 24.109 44.753 1.00 20.88 C ATOM 1721 CD1 ILE B 165 -1.007 26.187 46.786 1.00 21.69 C ATOM 1722 H ILE B 165 1.466 26.661 43.482 1.00 0.00 H ATOM 1723 N THR B 166 0.818 23.399 41.548 1.00 20.51 N ATOM 1724 CA THR B 166 0.543 23.054 40.158 1.00 20.12 C ATOM 1725 C THR B 166 -0.661 22.128 40.021 1.00 20.02 C ATOM 1726 O THR B 166 -0.614 20.966 40.425 1.00 20.20 O ATOM 1727 CB THR B 166 1.766 22.389 39.501 1.00 20.31 C ATOM 1728 OG1 THR B 166 2.914 23.234 39.653 1.00 20.51 O ATOM 1729 CG2 THR B 166 1.511 22.151 38.023 1.00 20.21 C ATOM 1730 HG1 THR B 166 3.094 23.374 40.616 1.00 0.00 H ATOM 1731 H THR B 166 1.599 22.920 42.040 1.00 0.00 H ATOM 1732 N GLN B 167 -1.735 22.654 39.442 1.00 19.84 N ATOM 1733 CA GLN B 167 -2.944 21.876 39.201 1.00 19.83 C ATOM 1734 C GLN B 167 -3.345 21.949 37.731 1.00 19.75 C ATOM 1735 O GLN B 167 -3.200 22.990 37.090 1.00 19.70 O ATOM 1736 CB GLN B 167 -4.090 22.372 40.091 1.00 19.88 C ATOM 1737 CG GLN B 167 -5.428 21.668 39.876 1.00 19.97 C ATOM 1738 CD GLN B 167 -5.446 20.244 40.408 1.00 20.18 C ATOM 1739 OE1 GLN B 167 -4.693 19.383 39.949 1.00 20.21 O ATOM 1740 NE2 GLN B 167 -6.313 19.989 41.381 1.00 20.45 N ATOM 1741 HE22 GLN B 167 -6.930 20.746 41.739 1.00 0.00 H ATOM 1742 HE21 GLN B 167 -6.375 19.033 41.785 1.00 0.00 H ATOM 1743 H GLN B 167 -1.712 23.652 39.152 1.00 0.00 H ATOM 1744 N GLY B 168 -3.840 20.836 37.198 1.00 19.90 N ATOM 1745 CA GLY B 168 -4.315 20.796 35.827 1.00 19.92 C ATOM 1746 C GLY B 168 -5.769 21.214 35.731 1.00 20.76 C ATOM 1747 O GLY B 168 -6.152 22.276 36.222 1.00 22.39 O ATOM 1748 H GLY B 168 -3.888 19.974 37.777 1.00 0.00 H ATOM 1749 N LYS B 169 -6.580 20.374 35.098 1.00 24.30 N ATOM 1750 CA LYS B 169 -8.007 20.638 34.962 1.00 25.87 C ATOM 1751 C LYS B 169 -8.762 19.357 34.629 1.00 26.74 C ATOM 1752 O LYS B 169 -8.368 18.611 33.733 1.00 25.81 O ATOM 1753 CB LYS B 169 -8.262 21.695 33.885 1.00 24.80 C ATOM 1754 H LYS B 169 -6.186 19.503 34.688 1.00 0.00 H ATOM 1755 N ARG B 170 -9.846 19.103 35.353 1.00 26.45 N ATOM 1756 CA ARG B 170 -10.646 17.907 35.121 1.00 25.85 C ATOM 1757 C ARG B 170 -11.573 18.089 33.923 1.00 25.64 C ATOM 1758 O ARG B 170 -11.289 17.608 32.828 1.00 26.09 O ATOM 1759 CB ARG B 170 -11.461 17.555 36.364 1.00 26.42 C ATOM 1760 CG ARG B 170 -12.176 16.222 36.263 1.00 26.26 C ATOM 1761 CD ARG B 170 -13.115 16.008 37.435 1.00 25.57 C ATOM 1762 NE ARG B 170 -13.726 14.684 37.396 1.00 26.76 N ATOM 1763 CZ ARG B 170 -13.276 13.634 38.075 1.00 27.46 C ATOM 1764 NH1 ARG B 170 -12.211 13.754 38.857 1.00 27.70 N ATOM 1765 NH2 ARG B 170 -13.893 12.466 37.977 1.00 28.01 N ATOM 1766 HE ARG B 170 -14.567 14.553 36.799 1.00 0.00 H ATOM 1767 HH12 ARG B 170 -11.860 12.931 39.388 1.00 0.00 H ATOM 1768 HH11 ARG B 170 -11.727 14.671 38.939 1.00 0.00 H ATOM 1769 HH22 ARG B 170 -13.540 11.645 38.509 1.00 0.00 H ATOM 1770 HH21 ARG B 170 -14.731 12.370 37.368 1.00 0.00 H ATOM 1771 H ARG B 170 -10.129 19.770 36.099 1.00 0.00 H TER 1772 ARG B 170 HETATM 1773 O HOH 1 4.231 6.222 54.139 1.00 25.80 O HETATM 1774 O HOH 2 11.672 -0.465 45.958 1.00 32.00 O HETATM 1775 O HOH 3 4.292 28.471 52.079 1.00 31.86 O HETATM 1776 O HOH 4 -1.961 43.719 48.386 1.00 36.25 O HETATM 1777 O HOH 5 -8.976 14.478 54.839 1.00 32.04 O HETATM 1778 O HOH 6 9.408 42.734 39.371 1.00 38.09 O HETATM 1779 O HOH 7 -5.401 14.383 62.431 1.00 28.88 O HETATM 1780 O HOH 8 -6.523 8.198 49.864 1.00 26.79 O HETATM 1781 O HOH 9 4.767 36.022 34.052 1.00 25.07 O HETATM 1782 O HOH 10 1.279 37.242 52.129 1.00 25.25 O HETATM 1783 O HOH 11 8.969 30.857 26.782 1.00 26.41 O HETATM 1784 O HOH 12 12.160 36.223 34.084 1.00 26.93 O HETATM 1785 O HOH 13 10.871 31.185 32.852 1.00 27.41 O HETATM 1786 O HOH 14 4.500 33.994 32.450 1.00 31.97 O HETATM 1787 O HOH 15 0.921 6.248 55.372 1.00 26.48 O HETATM 1788 O HOH 16 -7.536 4.772 41.670 1.00 24.57 O HETATM 1789 O HOH 17 20.419 7.111 44.197 1.00 32.56 O HETATM 1790 O HOH 18 10.272 25.744 37.687 1.00 22.62 O HETATM 1791 O HOH 19 20.047 -0.169 40.089 1.00 37.71 O HETATM 1792 O HOH 20 -8.403 13.136 48.618 1.00 22.14 O HETATM 1793 O HOH 21 -5.711 24.606 36.830 1.00 27.59 O HETATM 1794 O HOH 22 0.377 22.992 25.459 1.00 27.15 O HETATM 1795 O HOH 23 -1.111 17.075 52.803 1.00 35.35 O HETATM 1796 O HOH 24 -8.776 17.214 43.747 1.00 25.94 O HETATM 1797 O HOH 25 4.720 38.705 36.807 1.00 30.60 O HETATM 1798 O HOH 26 4.610 22.463 41.421 1.00 25.88 O HETATM 1799 O HOH 27 -5.003 24.926 43.223 1.00 25.01 O HETATM 1800 O HOH 28 -2.117 2.597 30.625 1.00 34.85 O HETATM 1801 O HOH 29 17.936 -1.888 43.771 1.00 30.60 O HETATM 1802 O HOH 30 -9.768 24.047 48.531 1.00 27.15 O HETATM 1803 O HOH 31 13.732 6.202 48.810 1.00 32.59 O HETATM 1804 O HOH 32 -10.025 5.680 35.499 1.00 26.50 O HETATM 1805 O HOH 33 4.079 23.779 36.715 1.00 20.29 O HETATM 1806 O HOH 34 7.976 19.948 32.288 1.00 18.22 O HETATM 1807 O HOH 35 -2.787 -5.927 38.541 1.00 40.70 O HETATM 1808 O HOH 36 -4.651 20.619 32.463 1.00 32.68 O HETATM 1809 O HOH 37 -3.187 31.211 36.137 1.00 34.26 O HETATM 1810 O HOH 38 11.328 -0.944 33.823 1.00 30.60 O HETATM 1811 O HOH 39 -7.080 10.384 45.760 1.00 30.60 O HETATM 1812 O HOH 40 -6.897 2.259 36.048 1.00 23.55 O HETATM 1813 O HOH 41 -7.560 24.709 53.045 1.00 27.37 O HETATM 1814 O HOH 42 -6.618 15.013 30.883 1.00 17.24 O HETATM 1815 O HOH 43 -8.006 25.794 49.759 1.00 26.61 O HETATM 1816 O HOH 44 1.960 -0.727 45.926 1.00 28.78 O HETATM 1817 O HOH 45 -9.188 5.117 30.361 1.00 24.36 O HETATM 1818 O HOH 46 -9.202 15.310 45.071 1.00 20.94 O HETATM 1819 O HOH 47 -1.844 25.574 38.525 1.00 26.45 O HETATM 1820 O HOH 48 3.589 25.575 35.183 1.00 22.60 O HETATM 1821 O HOH 49 -11.660 24.732 49.698 1.00 25.27 O HETATM 1822 O HOH 50 3.563 39.328 36.356 1.00 26.89 O HETATM 1823 O HOH 51 16.404 7.710 47.113 1.00 35.26 O HETATM 1824 O HOH 52 -0.562 24.007 35.636 1.00 21.78 O HETATM 1825 O HOH 53 2.547 32.870 31.838 1.00 31.72 O HETATM 1826 O HOH 54 -14.054 16.826 31.425 1.00 30.95 O HETATM 1827 O HOH 55 -9.749 12.939 27.479 1.00 24.10 O HETATM 1828 O HOH 56 -5.028 27.995 59.156 1.00 27.02 O HETATM 1829 O HOH 57 -1.619 -7.606 35.544 1.00 25.76 O HETATM 1830 O HOH 58 10.181 9.655 27.056 1.00 28.46 O HETATM 1831 O HOH 59 13.688 -2.360 33.823 1.00 30.60 O HETATM 1832 O HOH 60 -3.337 1.303 31.994 1.00 33.41 O HETATM 1833 O HOH 61 -15.018 18.562 53.670 1.00 25.53 O HETATM 1834 O HOH 62 2.832 12.272 26.859 1.00 30.60 O HETATM 1835 O HOH 63 -6.199 23.366 31.902 1.00 32.46 O HETATM 1836 O HOH 64 8.024 -0.472 31.833 1.00 30.60 O HETATM 1837 O HOH 65 0.696 26.078 35.773 1.00 27.02 O HETATM 1838 O HOH 66 -3.273 28.402 35.844 1.00 29.45 O HETATM 1839 C1 UNN A 67 17.159 23.306 41.866 1.00 0.07 C HETATM 1840 C2 UNN A 67 15.755 23.905 41.994 1.00 0.19 C HETATM 1841 O1 UNN A 67 15.261 24.138 43.096 1.00 -0.39 O HETATM 1842 N UNN A 67 15.139 24.145 40.827 1.00 -0.26 N HETATM 1843 CA UNN A 67 13.784 24.713 40.756 1.00 0.13 C HETATM 1844 C UNN A 67 12.775 23.569 40.649 1.00 0.20 C HETATM 1845 O UNN A 67 11.565 23.777 40.735 1.00 -0.39 O HETATM 1846 N UNN A 67 13.320 22.356 40.470 1.00 -0.26 N HETATM 1847 CA UNN A 67 12.507 21.134 40.373 1.00 0.13 C HETATM 1848 C UNN A 67 13.023 20.113 41.387 1.00 0.20 C HETATM 1849 O UNN A 67 14.230 19.938 41.555 1.00 -0.39 O HETATM 1850 N UNN A 67 12.068 19.459 42.061 1.00 -0.26 N HETATM 1851 CA UNN A 67 12.385 18.455 43.088 1.00 0.13 C HETATM 1852 C UNN A 67 12.253 17.049 42.505 1.00 0.20 C HETATM 1853 O UNN A 67 11.970 16.093 43.223 1.00 -0.39 O HETATM 1854 N23 UNN A 67 12.457 16.963 41.184 1.00 -0.27 N HETATM 1855 C16 UNN A 67 12.378 15.685 40.465 1.00 0.06 C HETATM 1856 C17 UNN A 67 13.641 15.109 40.456 1.00 -0.02 C HETATM 1857 C22 UNN A 67 14.766 15.921 40.375 1.00 -0.06 C HETATM 1858 C21 UNN A 67 16.034 15.351 40.369 1.00 -0.06 C HETATM 1859 C24 UNN A 67 16.174 13.970 40.446 1.00 0.02 C HETATM 1860 C27 UNN A 67 17.442 13.402 40.441 1.00 0.23 C HETATM 1861 N35 UNN A 67 18.496 14.210 40.377 1.00 -0.27 N HETATM 1862 H58 UNN A 67 19.448 13.816 40.372 1.00 0.32 H HETATM 1863 H59 UNN A 67 18.361 15.230 40.333 1.00 0.32 H HETATM 1864 N34 UNN A 67 17.540 12.077 40.511 1.00 -0.27 N HETATM 1865 H60 UNN A 67 16.689 11.499 40.559 1.00 0.32 H HETATM 1866 H61 UNN A 67 18.467 11.629 40.518 1.00 0.32 H HETATM 1867 C19 UNN A 67 15.050 13.159 40.529 1.00 -0.06 C HETATM 1868 C18 UNN A 67 13.782 13.729 40.535 1.00 -0.06 C HETATM 1869 H63 UNN A 67 12.904 13.097 40.601 1.00 0.06 H HETATM 1870 H62 UNN A 67 15.161 12.082 40.589 1.00 0.06 H HETATM 1871 H57 UNN A 67 16.913 15.983 40.304 1.00 0.06 H HETATM 1872 H56 UNN A 67 14.655 16.998 40.317 1.00 0.06 H HETATM 1873 H54 UNN A 67 12.042 15.860 39.432 1.00 0.07 H HETATM 1874 H55 UNN A 67 11.668 15.016 40.973 1.00 0.07 H HETATM 1875 H53 UNN A 67 12.670 17.795 40.672 1.00 0.19 H HETATM 1876 CB UNN A 67 11.424 18.623 44.268 1.00 -0.01 C HETATM 1877 CG UNN A 67 11.760 19.927 44.991 1.00 -0.02 C HETATM 1878 CD UNN A 67 13.234 19.897 45.394 1.00 0.06 C HETATM 1879 NE UNN A 67 13.918 21.106 44.918 1.00 -0.27 N HETATM 1880 CZ UNN A 67 14.353 22.081 45.726 1.00 0.29 C HETATM 1881 NH1 UNN A 67 14.976 23.150 45.213 1.00 -0.28 N HETATM 1882 H49 UNN A 67 15.310 23.899 45.836 1.00 0.26 H HETATM 1883 H50 UNN A 67 15.121 23.223 44.196 1.00 0.26 H HETATM 1884 NH2 UNN A 67 14.162 21.989 47.049 1.00 -0.28 N HETATM 1885 H51 UNN A 67 13.683 21.167 47.444 1.00 0.26 H HETATM 1886 H52 UNN A 67 14.494 22.740 47.671 1.00 0.26 H HETATM 1887 H48 UNN A 67 14.072 21.210 43.905 1.00 0.26 H HETATM 1888 H46 UNN A 67 13.713 19.011 44.951 1.00 0.07 H HETATM 1889 H47 UNN A 67 13.309 19.846 46.490 1.00 0.07 H HETATM 1890 H44 UNN A 67 11.133 20.025 45.889 1.00 0.03 H HETATM 1891 H45 UNN A 67 11.577 20.780 44.321 1.00 0.03 H HETATM 1892 H42 UNN A 67 11.537 17.776 44.961 1.00 0.03 H HETATM 1893 H43 UNN A 67 10.388 18.660 43.900 1.00 0.03 H HETATM 1894 H41 UNN A 67 13.418 18.605 43.436 1.00 0.08 H HETATM 1895 H40 UNN A 67 11.109 19.660 41.860 1.00 0.19 H HETATM 1896 CB UNN A 67 12.582 20.554 38.959 1.00 -0.01 C HETATM 1897 CG UNN A 67 11.391 21.070 38.151 1.00 -0.02 C HETATM 1898 CD UNN A 67 11.870 21.591 36.797 1.00 0.06 C HETATM 1899 NE UNN A 67 10.725 22.168 36.079 1.00 -0.27 N HETATM 1900 CZ UNN A 67 10.298 21.744 34.882 1.00 0.29 C HETATM 1901 NH1 UNN A 67 9.241 22.329 34.303 1.00 -0.28 N HETATM 1902 H36 UNN A 67 8.912 22.003 33.383 1.00 0.26 H HETATM 1903 H37 UNN A 67 8.757 23.104 34.778 1.00 0.26 H HETATM 1904 NH2 UNN A 67 10.930 20.737 34.264 1.00 -0.28 N HETATM 1905 H38 UNN A 67 11.743 20.288 34.710 1.00 0.26 H HETATM 1906 H39 UNN A 67 10.603 20.412 33.343 1.00 0.26 H HETATM 1907 H35 UNN A 67 10.219 22.947 36.524 1.00 0.26 H HETATM 1908 H33 UNN A 67 12.294 20.762 36.211 1.00 0.07 H HETATM 1909 H34 UNN A 67 12.638 22.363 36.949 1.00 0.07 H HETATM 1910 H31 UNN A 67 10.901 21.885 38.703 1.00 0.03 H HETATM 1911 H32 UNN A 67 10.674 20.251 37.994 1.00 0.03 H HETATM 1912 H29 UNN A 67 12.548 19.456 39.008 1.00 0.03 H HETATM 1913 H30 UNN A 67 13.520 20.871 38.479 1.00 0.03 H HETATM 1914 H28 UNN A 67 11.460 21.377 40.604 1.00 0.08 H HETATM 1915 H27 UNN A 67 14.315 22.280 40.400 1.00 0.19 H HETATM 1916 CB UNN A 67 13.673 25.631 39.537 1.00 -0.01 C HETATM 1917 CG UNN A 67 14.058 24.855 38.277 1.00 -0.02 C HETATM 1918 CD UNN A 67 14.888 25.755 37.360 1.00 0.06 C HETATM 1919 NE UNN A 67 14.024 26.789 36.773 1.00 -0.27 N HETATM 1920 CZ UNN A 67 14.474 27.814 36.038 1.00 0.29 C HETATM 1921 NH1 UNN A 67 15.786 27.944 35.801 1.00 -0.28 N HETATM 1922 H23 UNN A 67 16.131 28.733 35.236 1.00 0.26 H HETATM 1923 H24 UNN A 67 16.449 27.255 36.184 1.00 0.26 H HETATM 1924 NH2 UNN A 67 13.612 28.710 35.541 1.00 -0.28 N HETATM 1925 H25 UNN A 67 12.603 28.610 35.723 1.00 0.26 H HETATM 1926 H26 UNN A 67 13.958 29.499 34.977 1.00 0.26 H HETATM 1927 H22 UNN A 67 13.009 26.721 36.937 1.00 0.26 H HETATM 1928 H20 UNN A 67 15.332 25.149 36.556 1.00 0.07 H HETATM 1929 H21 UNN A 67 15.688 26.234 37.943 1.00 0.07 H HETATM 1930 H18 UNN A 67 13.147 24.535 37.750 1.00 0.03 H HETATM 1931 H19 UNN A 67 14.650 23.971 38.557 1.00 0.03 H HETATM 1932 H16 UNN A 67 14.351 26.488 39.661 1.00 0.03 H HETATM 1933 H17 UNN A 67 12.638 25.992 39.443 1.00 0.03 H HETATM 1934 H15 UNN A 67 13.581 25.295 41.667 1.00 0.08 H HETATM 1935 H14 UNN A 67 15.617 23.930 39.976 1.00 0.19 H HETATM 1936 C3 UNN A 67 17.623 22.892 43.112 1.00 -0.03 C HETATM 1937 C4 UNN A 67 18.381 23.760 43.889 1.00 -0.06 C HETATM 1938 C6 UNN A 67 18.850 23.352 45.131 1.00 -0.06 C HETATM 1939 C7 UNN A 67 18.562 22.076 45.601 1.00 -0.01 C HETATM 1940 C8 UNN A 67 17.805 21.205 44.823 1.00 -0.06 C HETATM 1941 C5 UNN A 67 17.337 21.613 43.578 1.00 -0.06 C HETATM 1942 H9 UNN A 67 16.749 20.934 42.971 1.00 0.05 H HETATM 1943 H11 UNN A 67 17.580 20.209 45.187 1.00 0.05 H HETATM 1944 C9 UNN A 67 19.036 21.675 46.846 1.00 0.09 C HETATM 1945 N1 UNN A 67 17.973 20.989 47.594 1.00 -0.26 N HETATM 1946 C10 UNN A 67 17.787 21.115 48.916 1.00 0.29 C HETATM 1947 N2 UNN A 67 18.597 21.904 49.635 1.00 -0.28 N HETATM 1948 H4 UNN A 67 18.454 22.000 50.650 1.00 0.26 H HETATM 1949 H5 UNN A 67 19.363 22.414 49.172 1.00 0.26 H HETATM 1950 N3 UNN A 67 16.792 20.452 49.520 1.00 -0.28 N HETATM 1951 H6 UNN A 67 16.169 19.845 48.969 1.00 0.26 H HETATM 1952 H7 UNN A 67 16.651 20.549 50.536 1.00 0.26 H HETATM 1953 H3 UNN A 67 17.332 20.375 47.071 1.00 0.27 H HETATM 1954 H12 UNN A 67 19.885 20.989 46.708 1.00 0.08 H HETATM 1955 H13 UNN A 67 19.366 22.559 47.411 1.00 0.08 H HETATM 1956 H10 UNN A 67 19.442 24.030 45.735 1.00 0.05 H HETATM 1957 H8 UNN A 67 18.606 24.756 43.525 1.00 0.05 H HETATM 1958 H1 UNN A 67 17.842 24.066 41.459 1.00 0.06 H HETATM 1959 H2 UNN A 67 17.124 22.442 41.186 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 361 362 366 367 368 CONECT 366 361 CONECT 367 361 CONECT 368 361 CONECT 1839 1840 1936 1958 1959 CONECT 1840 1839 1841 1842 CONECT 1841 1840 CONECT 1842 1840 1843 1935 CONECT 1843 1842 1844 1916 1934 CONECT 1844 1843 1845 1846 CONECT 1845 1844 CONECT 1846 1844 1847 1915 CONECT 1847 1846 1848 1896 1914 CONECT 1848 1847 1849 1850 CONECT 1849 1848 CONECT 1850 1848 1851 1895 CONECT 1851 1850 1852 1876 1894 CONECT 1852 1851 1853 1854 CONECT 1853 1852 CONECT 1854 1852 1855 1875 CONECT 1855 1854 1856 1873 1874 CONECT 1856 1855 1857 1868 CONECT 1857 1856 1858 1872 CONECT 1858 1857 1859 1871 CONECT 1859 1858 1860 1867 CONECT 1860 1859 1861 1864 CONECT 1861 1860 1862 1863 CONECT 1862 1861 CONECT 1863 1861 CONECT 1864 1860 1865 1866 CONECT 1865 1864 CONECT 1866 1864 CONECT 1867 1859 1868 1870 CONECT 1868 1856 1867 1869 CONECT 1869 1868 CONECT 1870 1867 CONECT 1871 1858 CONECT 1872 1857 CONECT 1873 1855 CONECT 1874 1855 CONECT 1875 1854 CONECT 1876 1851 1877 1892 1893 CONECT 1877 1876 1878 1890 1891 CONECT 1878 1877 1879 1888 1889 CONECT 1879 1878 1880 1887 CONECT 1880 1879 1881 1884 CONECT 1881 1880 1882 1883 CONECT 1882 1881 CONECT 1883 1881 CONECT 1884 1880 1885 1886 CONECT 1885 1884 CONECT 1886 1884 CONECT 1887 1879 CONECT 1888 1878 CONECT 1889 1878 CONECT 1890 1877 CONECT 1891 1877 CONECT 1892 1876 CONECT 1893 1876 CONECT 1894 1851 CONECT 1895 1850 CONECT 1896 1847 1897 1912 1913 CONECT 1897 1896 1898 1910 1911 CONECT 1898 1897 1899 1908 1909 CONECT 1899 1898 1900 1907 CONECT 1900 1899 1901 1904 CONECT 1901 1900 1902 1903 CONECT 1902 1901 CONECT 1903 1901 CONECT 1904 1900 1905 1906 CONECT 1905 1904 CONECT 1906 1904 CONECT 1907 1899 CONECT 1908 1898 CONECT 1909 1898 CONECT 1910 1897 CONECT 1911 1897 CONECT 1912 1896 CONECT 1913 1896 CONECT 1914 1847 CONECT 1915 1846 CONECT 1916 1843 1917 1932 1933 CONECT 1917 1916 1918 1930 1931 CONECT 1918 1917 1919 1928 1929 CONECT 1919 1918 1920 1927 CONECT 1920 1919 1921 1924 CONECT 1921 1920 1922 1923 CONECT 1922 1921 CONECT 1923 1921 CONECT 1924 1920 1925 1926 CONECT 1925 1924 CONECT 1926 1924 CONECT 1927 1919 CONECT 1928 1918 CONECT 1929 1918 CONECT 1930 1917 CONECT 1931 1917 CONECT 1932 1916 CONECT 1933 1916 CONECT 1934 1843 CONECT 1935 1842 CONECT 1936 1839 1937 1941 CONECT 1937 1936 1938 1957 CONECT 1938 1937 1939 1956 CONECT 1939 1938 1940 1944 CONECT 1940 1939 1941 1943 CONECT 1941 1936 1940 1942 CONECT 1942 1941 CONECT 1943 1940 CONECT 1944 1939 1945 1954 1955 CONECT 1945 1944 1946 1953 CONECT 1946 1945 1947 1950 CONECT 1947 1946 1948 1949 CONECT 1948 1947 CONECT 1949 1947 CONECT 1950 1946 1951 1952 CONECT 1951 1950 CONECT 1952 1950 CONECT 1953 1945 CONECT 1954 1944 CONECT 1955 1944 CONECT 1956 1938 CONECT 1957 1937 CONECT 1958 1839 CONECT 1959 1839 MASTER 0 0 0 0 0 0 0 0 1957 2 129 15 END
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PDBbind
5-mer
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RCSB PDB
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5-mer
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PDBbind
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7lpr
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Entry Information
PDB ID
5zob
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Zika NS3 protease
Ligand Name
5-mer
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
IC50=1.1uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Antiviral Res. Vol. 160: pp. 17-24
Ligand Properties
Formula
C
3
6
H
6
3
N
1
8
O
4
Molecular Weight
812.004
Exact Mass
811.528
No. of atoms
121
No. of bonds
122
Polar Surface Area
432.05
LOGP Value
5.90 (
Computed with XLOGP3
)
-5.41 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 29
No. of Nitrogen and Oxygen Atoms: 22
No. of Rings: 2
Canonical SMILES
NC(=[NH+]CCC[C@@H](C(=O)N[C@H](C(=O)NCc1ccc(cc1)C(=[NH2+])N)CCC[NH+]=C(N)N)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)C[NH+]=C(N)N)CCC[NH+]=C(N)N)N
InChI String
InChI=1S/C36H58N18O4/c37-29(38)24-13-11-23(12-14-24)19-50-30(56)25(4-1-15-47-33(39)40)53-32(58)27(6-3-17-49-35(43)44)54-31(57)26(5-2-16-48-34(41)42)52-28(55)18-21-7-9-22(10-8-21)20-51-36(45)46/h7-14,25-27H,1-6,15-20H2,(H3,37,38)(H,50,56)(H,52,55)(H,53,58)(H,54,57)(H4,39,40,47)(H4,41,42,48)(H4,43,44,49)(H4,45,46,51)/p+5/t25-,26-,27-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
Q32ZE1
Entrez Gene ID
NCBI Entrez Gene ID:
7751225
ASD
Information of known allosteric effects of PDB entries
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