Browse entries in the PDBbind-CN Database
HEADER 6I8Y_COMPLEX COMPND 6I8Y_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 69 ARG ASN ILE VAL GLY CYS ARG ILE GLN HIS GLY TRP LYS SEQRES 2 A 69 GLU GLY ASN GLY PRO VAL THR GLN TRP LYS GLY THR VAL SEQRES 3 A 69 LEU ASP GLN VAL PRO VAL ASN PRO SER LEU TYR LEU ILE SEQRES 4 A 69 LYS TYR ASP GLY PHE ASP CYS VAL TYR GLY LEU GLU LEU SEQRES 5 A 69 ASN LYS ASP GLU ARG VAL SER ALA LEU GLU VAL LEU PRO SEQRES 6 A 69 ASP ARG VAL ALA SEQRES 1 A 67 LEU ALA ASP THR MET ILE GLY LYS ALA VAL GLU HIS MET SEQRES 2 A 67 PHE GLU THR GLU ASP GLY SER LYS ASP GLU TRP ARG GLY SEQRES 3 A 67 MET VAL LEU ALA ARG ALA PRO VAL MET ASN THR TRP PHE SEQRES 4 A 67 TYR ILE THR TYR GLU LYS ASP PRO VAL LEU TYR MET TYR SEQRES 5 A 67 GLN LEU LEU ASP ASP TYR LYS GLU GLY ASP LEU ARG ILE SEQRES 6 A 67 MET PRO SEQRES 1 A 11 SER LEU VAL GLY LYS GLN VAL GLU TYR ALA LYS SEQRES 1 A 43 LYS ARG THR GLY MET VAL ILE HIS GLN VAL GLU ALA LYS SEQRES 2 A 43 PRO SER VAL TYR PHE ILE LYS PHE ASP ASP ASP PHE HIS SEQRES 3 A 43 ILE TYR VAL TYR ASP LEU VAL LYS THR SER ALA GLU ASN SEQRES 4 A 43 LEU TYR PHE GLN HET NA A 1 1 HET MOL A 299 53 ATOM 1 N ARG A 51 38.927 14.243 3.734 1.00 50.77 N ATOM 2 CA ARG A 51 38.963 13.390 4.924 1.00 52.84 C ATOM 3 C ARG A 51 38.105 12.134 4.762 1.00 55.58 C ATOM 4 O ARG A 51 37.547 11.617 5.722 1.00 55.57 O ATOM 5 CB ARG A 51 38.508 14.179 6.145 1.00 53.11 C ATOM 6 CG ARG A 51 39.018 15.607 6.145 1.00 53.93 C ATOM 7 CD ARG A 51 38.655 16.319 7.413 1.00 63.36 C ATOM 8 NE ARG A 51 39.515 15.899 8.513 1.00 71.05 N ATOM 9 CZ ARG A 51 39.823 16.677 9.544 1.00 79.86 C ATOM 10 NH1 ARG A 51 39.344 17.914 9.607 1.00 83.02 N ATOM 11 NH2 ARG A 51 40.617 16.223 10.504 1.00 84.01 N ATOM 12 HE ARG A 51 39.909 14.937 8.489 1.00 0.00 H ATOM 13 HH12 ARG A 51 39.585 18.524 10.414 1.00 0.00 H ATOM 14 HH11 ARG A 51 38.728 18.272 8.849 1.00 0.00 H ATOM 15 HH22 ARG A 51 40.858 16.833 11.311 1.00 0.00 H ATOM 16 HH21 ARG A 51 40.999 15.257 10.450 1.00 0.00 H ATOM 17 HN3 ARG A 51 37.947 14.542 3.553 1.00 0.00 H ATOM 18 HN2 ARG A 51 39.285 13.710 2.916 1.00 0.00 H ATOM 19 HN1 ARG A 51 39.523 15.081 3.891 1.00 0.00 H ATOM 20 N ASN A 52 38.036 11.637 3.536 1.00 54.03 N ATOM 21 CA ASN A 52 37.190 10.500 3.200 1.00 54.14 C ATOM 22 C ASN A 52 37.863 9.176 3.546 1.00 51.78 C ATOM 23 O ASN A 52 39.056 8.993 3.291 1.00 40.03 O ATOM 24 CB ASN A 52 36.888 10.522 1.702 1.00 53.25 C ATOM 25 CG ASN A 52 38.161 10.665 0.869 1.00 42.64 C ATOM 26 OD1 ASN A 52 38.826 11.698 0.924 1.00 42.92 O ATOM 27 ND2 ASN A 52 38.508 9.639 0.122 1.00 36.49 N ATOM 28 HD22 ASN A 52 37.916 8.784 0.105 1.00 0.00 H ATOM 29 HD21 ASN A 52 39.374 9.683 -0.452 1.00 0.00 H ATOM 30 H ASN A 52 38.607 12.075 2.785 1.00 0.00 H ATOM 31 N ILE A 53 37.074 8.239 4.083 1.00 66.45 N ATOM 32 CA ILE A 53 37.479 6.830 4.143 1.00 59.80 C ATOM 33 C ILE A 53 37.182 6.127 2.823 1.00 46.08 C ATOM 34 O ILE A 53 38.061 5.541 2.188 1.00 34.92 O ATOM 35 CB ILE A 53 36.756 6.105 5.290 1.00 56.07 C ATOM 36 CG1 ILE A 53 36.827 6.897 6.602 1.00 49.46 C ATOM 37 CG2 ILE A 53 37.297 4.699 5.409 1.00 47.55 C ATOM 38 CD1 ILE A 53 38.214 7.088 7.170 1.00 41.67 C ATOM 39 H ILE A 53 36.149 8.517 4.468 1.00 0.00 H ATOM 40 N VAL A 54 35.915 6.097 2.440 1.00 44.29 N ATOM 41 CA VAL A 54 35.528 5.579 1.139 1.00 42.01 C ATOM 42 C VAL A 54 36.350 6.375 0.126 1.00 37.60 C ATOM 43 O VAL A 54 36.283 7.610 0.089 1.00 36.45 O ATOM 44 CB VAL A 54 34.005 5.719 0.926 1.00 44.73 C ATOM 45 H VAL A 54 35.180 6.452 3.085 1.00 0.00 H ATOM 46 N GLY A 55 37.150 5.696 -0.679 1.00 39.19 N ATOM 47 CA GLY A 55 37.955 6.375 -1.667 1.00 42.03 C ATOM 48 C GLY A 55 39.367 6.679 -1.252 1.00 35.43 C ATOM 49 O GLY A 55 40.130 7.160 -2.092 1.00 37.99 O ATOM 50 H GLY A 55 37.200 4.660 -0.599 1.00 0.00 H ATOM 51 N CYS A 56 39.736 6.400 0.000 1.00 32.14 N ATOM 52 CA CYS A 56 41.132 6.403 0.403 1.00 39.12 C ATOM 53 C CYS A 56 41.928 5.431 -0.460 1.00 21.02 C ATOM 54 O CYS A 56 41.478 4.321 -0.731 1.00 19.88 O ATOM 55 CB CYS A 56 41.246 5.970 1.864 1.00 55.13 C ATOM 56 SG CYS A 56 42.640 6.619 2.668 1.00 62.29 S ATOM 57 H CYS A 56 39.006 6.175 0.705 1.00 0.00 H ATOM 58 N ARG A 57 43.124 5.825 -0.868 1.00 18.66 N ATOM 59 CA ARG A 57 44.088 4.893 -1.446 1.00 17.09 C ATOM 60 C ARG A 57 45.080 4.434 -0.394 1.00 15.62 C ATOM 61 O ARG A 57 45.503 5.231 0.459 1.00 16.85 O ATOM 62 CB ARG A 57 44.854 5.544 -2.601 1.00 20.07 C ATOM 63 CG ARG A 57 44.010 6.126 -3.725 1.00 29.49 C ATOM 64 CD ARG A 57 43.891 5.271 -4.934 1.00 28.71 C ATOM 65 NE ARG A 57 45.185 4.771 -5.432 1.00 23.79 N ATOM 66 CZ ARG A 57 45.345 3.579 -5.987 1.00 24.65 C ATOM 67 NH1 ARG A 57 44.301 2.751 -6.122 1.00 22.17 N ATOM 68 NH2 ARG A 57 46.563 3.190 -6.380 1.00 25.17 N ATOM 69 HE ARG A 57 46.018 5.388 -5.343 1.00 0.00 H ATOM 70 HH12 ARG A 57 44.432 1.816 -6.558 1.00 0.00 H ATOM 71 HH11 ARG A 57 43.360 3.043 -5.790 1.00 0.00 H ATOM 72 HH22 ARG A 57 46.695 2.255 -6.816 1.00 0.00 H ATOM 73 HH21 ARG A 57 47.378 3.822 -6.249 1.00 0.00 H ATOM 74 H ARG A 57 43.385 6.827 -0.774 1.00 0.00 H ATOM 75 N ILE A 58 45.384 3.129 -0.407 1.00 14.61 N ATOM 76 CA ILE A 58 46.269 2.560 0.601 1.00 14.19 C ATOM 77 C ILE A 58 47.323 1.700 -0.074 1.00 14.71 C ATOM 78 O ILE A 58 47.151 1.236 -1.206 1.00 14.18 O ATOM 79 CB ILE A 58 45.528 1.728 1.658 1.00 14.68 C ATOM 80 CG1 ILE A 58 44.763 0.602 1.001 1.00 15.50 C ATOM 81 CG2 ILE A 58 44.592 2.620 2.464 1.00 17.39 C ATOM 82 CD1 ILE A 58 44.224 -0.411 2.004 1.00 17.70 C ATOM 83 H ILE A 58 44.984 2.515 -1.145 1.00 0.00 H ATOM 84 N GLN A 59 48.440 1.520 0.617 1.00 15.23 N ATOM 85 CA GLN A 59 49.409 0.491 0.234 1.00 15.62 C ATOM 86 C GLN A 59 49.838 -0.253 1.494 1.00 13.71 C ATOM 87 O GLN A 59 49.859 0.305 2.597 1.00 15.37 O ATOM 88 CB GLN A 59 50.633 1.023 -0.524 1.00 21.34 C ATOM 89 CG GLN A 59 51.423 2.032 0.069 1.00 31.59 C ATOM 90 CD GLN A 59 52.631 2.359 -0.841 1.00 44.37 C ATOM 91 OE1 GLN A 59 52.620 2.077 -2.066 1.00 35.35 O ATOM 92 NE2 GLN A 59 53.659 2.942 -0.255 1.00 61.72 N ATOM 93 HE22 GLN A 59 53.625 3.157 0.762 1.00 0.00 H ATOM 94 HE21 GLN A 59 54.504 3.187 -0.810 1.00 0.00 H ATOM 95 H GLN A 59 48.631 2.120 1.445 1.00 0.00 H ATOM 96 N HIS A 60 50.227 -1.524 1.304 1.00 14.00 N ATOM 97 CA HIS A 60 50.701 -2.295 2.439 1.00 14.90 C ATOM 98 C HIS A 60 51.457 -3.515 1.935 1.00 15.36 C ATOM 99 O HIS A 60 51.304 -3.933 0.789 1.00 14.24 O ATOM 100 CB HIS A 60 49.555 -2.714 3.362 1.00 13.24 C ATOM 101 CG HIS A 60 48.553 -3.660 2.773 1.00 13.81 C ATOM 102 ND1 HIS A 60 48.728 -5.028 2.756 1.00 14.70 N ATOM 103 CD2 HIS A 60 47.341 -3.425 2.189 1.00 14.55 C ATOM 104 CE1 HIS A 60 47.675 -5.598 2.182 1.00 15.64 C ATOM 105 NE2 HIS A 60 46.824 -4.645 1.827 1.00 14.32 N ATOM 106 H HIS A 60 50.189 -1.950 0.356 1.00 0.00 H ATOM 107 N GLY A 61 52.242 -4.092 2.856 1.00 15.39 N ATOM 108 CA GLY A 61 52.821 -5.402 2.640 1.00 14.83 C ATOM 109 C GLY A 61 51.886 -6.504 3.106 1.00 15.94 C ATOM 110 O GLY A 61 50.984 -6.274 3.929 1.00 15.36 O ATOM 111 H GLY A 61 52.439 -3.588 3.744 1.00 0.00 H ATOM 112 N TRP A 62 52.154 -7.714 2.607 1.00 16.23 N ATOM 113 CA TRP A 62 51.366 -8.896 2.917 1.00 16.02 C ATOM 114 C TRP A 62 52.334 -10.051 3.093 1.00 17.63 C ATOM 115 O TRP A 62 53.223 -10.238 2.257 1.00 18.39 O ATOM 116 CB TRP A 62 50.357 -9.195 1.810 1.00 15.62 C ATOM 117 CG TRP A 62 49.473 -10.339 2.060 1.00 15.06 C ATOM 118 CD1 TRP A 62 49.612 -11.597 1.576 1.00 17.90 C ATOM 119 CD2 TRP A 62 48.274 -10.335 2.837 1.00 16.01 C ATOM 120 NE1 TRP A 62 48.582 -12.389 2.031 1.00 19.33 N ATOM 121 CE2 TRP A 62 47.726 -11.624 2.763 1.00 18.01 C ATOM 122 CE3 TRP A 62 47.603 -9.371 3.573 1.00 15.64 C ATOM 123 CZ2 TRP A 62 46.547 -11.961 3.442 1.00 18.42 C ATOM 124 CZ3 TRP A 62 46.441 -9.710 4.239 1.00 17.14 C ATOM 125 CH2 TRP A 62 45.917 -10.990 4.140 1.00 20.50 C ATOM 126 HE1 TRP A 62 48.475 -13.407 1.846 1.00 0.00 H ATOM 127 H TRP A 62 52.966 -7.815 1.965 1.00 0.00 H ATOM 128 N LYS A 63 52.132 -10.848 4.143 1.00 16.61 N ATOM 129 CA LYS A 63 52.972 -12.004 4.418 1.00 19.21 C ATOM 130 C LYS A 63 52.139 -13.112 5.040 1.00 19.39 C ATOM 131 O LYS A 63 51.439 -12.872 6.035 1.00 20.75 O ATOM 132 CB LYS A 63 54.111 -11.647 5.375 1.00 18.88 C ATOM 133 CG LYS A 63 55.108 -12.790 5.617 1.00 20.88 C ATOM 134 CD LYS A 63 56.218 -12.354 6.588 1.00 24.63 C ATOM 135 CE LYS A 63 57.208 -13.461 7.017 1.00 33.27 C ATOM 136 NZ LYS A 63 58.053 -13.895 5.897 1.00 43.19 N ATOM 137 HZ1 LYS A 63 57.452 -14.269 5.135 1.00 0.00 H ATOM 138 HZ2 LYS A 63 58.600 -13.084 5.542 1.00 0.00 H ATOM 139 HZ3 LYS A 63 58.704 -14.638 6.223 1.00 0.00 H ATOM 140 H LYS A 63 51.345 -10.636 4.789 1.00 0.00 H ATOM 141 N GLU A 64 52.222 -14.306 4.457 1.00 22.33 N ATOM 142 CA GLU A 64 51.543 -15.501 4.970 1.00 28.34 C ATOM 143 C GLU A 64 52.586 -16.466 5.526 1.00 25.99 C ATOM 144 O GLU A 64 53.498 -16.880 4.799 1.00 25.89 O ATOM 145 CB GLU A 64 50.725 -16.190 3.882 1.00 51.27 C ATOM 146 CG GLU A 64 49.941 -15.250 2.984 1.00 71.41 C ATOM 147 CD GLU A 64 48.488 -15.649 2.827 1.00 85.22 C ATOM 148 OE1 GLU A 64 47.958 -16.365 3.710 1.00 88.81 O ATOM 149 OE2 GLU A 64 47.878 -15.234 1.816 1.00 88.56 O ATOM 150 H GLU A 64 52.797 -14.396 3.595 1.00 0.00 H ATOM 151 N GLY A 65 52.481 -16.783 6.808 1.00 28.13 N ATOM 152 CA GLY A 65 53.432 -17.728 7.393 1.00 30.31 C ATOM 153 C GLY A 65 54.869 -17.250 7.254 1.00 27.63 C ATOM 154 O GLY A 65 55.186 -16.086 7.525 1.00 29.15 O ATOM 155 H GLY A 65 51.730 -16.364 7.393 1.00 0.00 H ATOM 156 N ASN A 66 55.743 -18.118 6.755 1.00 26.93 N ATOM 157 CA ASN A 66 57.129 -17.756 6.511 1.00 25.71 C ATOM 158 C ASN A 66 57.381 -17.361 5.063 1.00 23.98 C ATOM 159 O ASN A 66 58.540 -17.337 4.642 1.00 26.63 O ATOM 160 CB ASN A 66 58.056 -18.915 6.885 1.00 42.39 C ATOM 161 CG ASN A 66 57.934 -19.308 8.351 1.00 90.81 C ATOM 162 OD1 ASN A 66 57.814 -20.487 8.684 1.00102.44 O ATOM 163 ND2 ASN A 66 57.955 -18.313 9.235 1.00111.69 N ATOM 164 HD22 ASN A 66 58.058 -17.331 8.910 1.00 0.00 H ATOM 165 HD21 ASN A 66 57.868 -18.518 10.251 1.00 0.00 H ATOM 166 H ASN A 66 55.426 -19.083 6.533 1.00 0.00 H ATOM 167 N GLY A 67 56.330 -17.022 4.315 1.00 23.35 N ATOM 168 CA GLY A 67 56.459 -16.673 2.916 1.00 21.07 C ATOM 169 C GLY A 67 57.041 -15.296 2.717 1.00 19.91 C ATOM 170 O GLY A 67 57.235 -14.535 3.659 1.00 22.00 O ATOM 171 H GLY A 67 55.386 -17.008 4.751 1.00 0.00 H ATOM 172 N PRO A 68 57.324 -14.933 1.466 1.00 20.22 N ATOM 173 CA PRO A 68 57.842 -13.592 1.182 1.00 18.69 C ATOM 174 C PRO A 68 56.794 -12.511 1.379 1.00 17.09 C ATOM 175 O PRO A 68 55.588 -12.747 1.364 1.00 17.68 O ATOM 176 CB PRO A 68 58.243 -13.680 -0.289 1.00 21.55 C ATOM 177 CG PRO A 68 57.380 -14.664 -0.841 1.00 22.53 C ATOM 178 CD PRO A 68 57.086 -15.696 0.225 1.00 21.22 C ATOM 179 N VAL A 69 57.277 -11.313 1.611 1.00 17.08 N ATOM 180 CA VAL A 69 56.395 -10.139 1.712 1.00 17.05 C ATOM 181 C VAL A 69 56.113 -9.621 0.311 1.00 16.77 C ATOM 182 O VAL A 69 57.042 -9.360 -0.466 1.00 17.76 O ATOM 183 CB VAL A 69 57.031 -9.041 2.567 1.00 20.11 C ATOM 184 CG1 VAL A 69 56.092 -7.831 2.671 1.00 20.51 C ATOM 185 CG2 VAL A 69 57.373 -9.580 3.929 1.00 23.81 C ATOM 186 H VAL A 69 58.303 -11.191 1.726 1.00 0.00 H ATOM 187 N THR A 70 54.832 -9.473 -0.031 1.00 15.27 N ATOM 188 CA THR A 70 54.421 -8.889 -1.301 1.00 15.82 C ATOM 189 C THR A 70 53.805 -7.515 -1.018 1.00 15.38 C ATOM 190 O THR A 70 53.245 -7.288 0.057 1.00 16.22 O ATOM 191 CB THR A 70 53.448 -9.780 -2.066 1.00 16.55 C ATOM 192 OG1 THR A 70 52.352 -10.182 -1.236 1.00 15.28 O ATOM 193 CG2 THR A 70 54.136 -11.064 -2.532 1.00 18.32 C ATOM 194 HG1 THR A 70 52.697 -10.686 -0.457 1.00 0.00 H ATOM 195 H THR A 70 54.098 -9.787 0.635 1.00 0.00 H ATOM 196 N GLN A 71 53.899 -6.610 -1.998 1.00 13.97 N ATOM 197 CA GLN A 71 53.451 -5.216 -1.874 1.00 13.90 C ATOM 198 C GLN A 71 52.177 -4.992 -2.688 1.00 14.30 C ATOM 199 O GLN A 71 52.058 -5.439 -3.849 1.00 14.18 O ATOM 200 CB GLN A 71 54.539 -4.255 -2.357 1.00 16.86 C ATOM 201 CG GLN A 71 55.905 -4.513 -1.777 1.00 22.42 C ATOM 202 CD GLN A 71 55.972 -4.408 -0.280 1.00 24.92 C ATOM 203 OE1 GLN A 71 55.222 -3.648 0.361 1.00 24.72 O ATOM 204 NE2 GLN A 71 56.886 -5.170 0.300 1.00 25.77 N ATOM 205 HE22 GLN A 71 57.490 -5.789 -0.278 1.00 0.00 H ATOM 206 HE21 GLN A 71 57.000 -5.149 1.333 1.00 0.00 H ATOM 207 H GLN A 71 54.314 -6.911 -2.903 1.00 0.00 H ATOM 208 N TRP A 72 51.241 -4.231 -2.109 1.00 13.31 N ATOM 209 CA TRP A 72 49.888 -4.103 -2.641 1.00 14.07 C ATOM 210 C TRP A 72 49.437 -2.651 -2.559 1.00 14.03 C ATOM 211 O TRP A 72 49.692 -1.984 -1.560 1.00 14.88 O ATOM 212 CB TRP A 72 48.883 -4.971 -1.881 1.00 14.59 C ATOM 213 CG TRP A 72 49.229 -6.413 -1.968 1.00 13.47 C ATOM 214 CD1 TRP A 72 50.058 -7.109 -1.120 1.00 11.71 C ATOM 215 CD2 TRP A 72 48.839 -7.329 -2.997 1.00 14.15 C ATOM 216 NE1 TRP A 72 50.149 -8.412 -1.519 1.00 12.56 N ATOM 217 CE2 TRP A 72 49.460 -8.566 -2.705 1.00 14.49 C ATOM 218 CE3 TRP A 72 48.038 -7.235 -4.159 1.00 16.25 C ATOM 219 CZ2 TRP A 72 49.296 -9.686 -3.530 1.00 17.88 C ATOM 220 CZ3 TRP A 72 47.917 -8.349 -4.960 1.00 16.62 C ATOM 221 CH2 TRP A 72 48.500 -9.576 -4.606 1.00 20.30 C ATOM 222 HE1 TRP A 72 50.655 -9.166 -1.012 1.00 0.00 H ATOM 223 H TRP A 72 51.488 -3.709 -1.244 1.00 0.00 H ATOM 224 N LYS A 73 48.704 -2.201 -3.575 1.00 13.99 N ATOM 225 CA LYS A 73 48.063 -0.878 -3.596 1.00 14.15 C ATOM 226 C LYS A 73 46.588 -1.085 -3.929 1.00 14.65 C ATOM 227 O LYS A 73 46.232 -1.902 -4.784 1.00 14.74 O ATOM 228 CB LYS A 73 48.688 0.088 -4.631 1.00 20.87 C ATOM 229 CG LYS A 73 50.068 0.560 -4.367 1.00 38.12 C ATOM 230 CD LYS A 73 50.375 1.677 -5.363 1.00 56.67 C ATOM 231 CE LYS A 73 51.693 2.342 -5.077 1.00 80.17 C ATOM 232 NZ LYS A 73 51.880 3.547 -5.929 1.00 98.00 N ATOM 233 HZ1 LYS A 73 51.857 3.269 -6.931 1.00 0.00 H ATOM 234 HZ2 LYS A 73 51.116 4.226 -5.739 1.00 0.00 H ATOM 235 HZ3 LYS A 73 52.797 3.986 -5.710 1.00 0.00 H ATOM 236 H LYS A 73 48.578 -2.820 -4.401 1.00 0.00 H ATOM 237 N GLY A 74 45.725 -0.298 -3.299 1.00 13.81 N ATOM 238 CA GLY A 74 44.298 -0.447 -3.526 1.00 15.65 C ATOM 239 C GLY A 74 43.516 0.755 -3.058 1.00 15.55 C ATOM 240 O GLY A 74 44.072 1.738 -2.548 1.00 15.33 O ATOM 241 H GLY A 74 46.072 0.428 -2.640 1.00 0.00 H ATOM 242 N THR A 75 42.210 0.636 -3.237 1.00 14.00 N ATOM 243 CA THR A 75 41.254 1.699 -2.936 1.00 14.78 C ATOM 244 C THR A 75 40.272 1.158 -1.923 1.00 14.93 C ATOM 245 O THR A 75 39.674 0.096 -2.137 1.00 14.04 O ATOM 246 CB THR A 75 40.519 2.162 -4.185 1.00 15.44 C ATOM 247 OG1 THR A 75 41.451 2.577 -5.174 1.00 17.12 O ATOM 248 CG2 THR A 75 39.580 3.324 -3.894 1.00 18.18 C ATOM 249 HG1 THR A 75 42.043 1.818 -5.407 1.00 0.00 H ATOM 250 H THR A 75 41.845 -0.263 -3.612 1.00 0.00 H ATOM 251 N VAL A 76 40.069 1.867 -0.828 1.00 15.28 N ATOM 252 CA VAL A 76 39.087 1.436 0.142 1.00 12.83 C ATOM 253 C VAL A 76 37.682 1.793 -0.331 1.00 14.65 C ATOM 254 O VAL A 76 37.385 2.971 -0.573 1.00 18.68 O ATOM 255 CB VAL A 76 39.364 2.097 1.501 1.00 15.32 C ATOM 256 CG1 VAL A 76 38.301 1.726 2.531 1.00 15.58 C ATOM 257 CG2 VAL A 76 40.731 1.734 1.966 1.00 18.29 C ATOM 258 H VAL A 76 40.616 2.736 -0.663 1.00 0.00 H ATOM 259 N LEU A 77 36.792 0.806 -0.393 1.00 14.69 N ATOM 260 CA LEU A 77 35.422 0.990 -0.857 1.00 14.27 C ATOM 261 C LEU A 77 34.400 1.206 0.230 1.00 16.22 C ATOM 262 O LEU A 77 33.418 1.918 -0.004 1.00 20.44 O ATOM 263 CB LEU A 77 35.000 -0.260 -1.652 1.00 15.73 C ATOM 264 CG LEU A 77 35.956 -0.637 -2.764 1.00 17.61 C ATOM 265 CD1 LEU A 77 35.435 -1.957 -3.361 1.00 21.86 C ATOM 266 CD2 LEU A 77 36.071 0.414 -3.852 1.00 18.44 C ATOM 267 H LEU A 77 37.089 -0.145 -0.095 1.00 0.00 H ATOM 268 N ASP A 78 34.579 0.587 1.392 1.00 16.46 N ATOM 269 CA ASP A 78 33.503 0.519 2.364 1.00 21.87 C ATOM 270 C ASP A 78 34.112 0.089 3.688 1.00 20.92 C ATOM 271 O ASP A 78 35.057 -0.698 3.712 1.00 17.78 O ATOM 272 CB ASP A 78 32.447 -0.490 1.896 1.00 37.71 C ATOM 273 CG ASP A 78 31.204 -0.531 2.782 1.00 54.42 C ATOM 274 OD1 ASP A 78 30.855 0.488 3.412 1.00 59.05 O ATOM 275 OD2 ASP A 78 30.572 -1.608 2.809 1.00 59.61 O ATOM 276 H ASP A 78 35.497 0.148 1.607 1.00 0.00 H ATOM 277 N GLN A 79 33.603 0.650 4.777 1.00 20.18 N ATOM 278 CA GLN A 79 33.791 0.133 6.117 1.00 19.23 C ATOM 279 C GLN A 79 32.463 -0.506 6.533 1.00 19.33 C ATOM 280 O GLN A 79 31.419 0.144 6.457 1.00 22.59 O ATOM 281 CB GLN A 79 34.174 1.285 7.035 1.00 21.44 C ATOM 282 CG GLN A 79 34.434 0.866 8.433 1.00 23.80 C ATOM 283 CD GLN A 79 34.863 2.012 9.304 1.00 30.97 C ATOM 284 OE1 GLN A 79 34.641 3.181 8.988 1.00 36.03 O ATOM 285 NE2 GLN A 79 35.495 1.689 10.413 1.00 34.28 N ATOM 286 HE22 GLN A 79 35.663 0.689 10.644 1.00 0.00 H ATOM 287 HE21 GLN A 79 35.827 2.434 11.058 1.00 0.00 H ATOM 288 H GLN A 79 33.035 1.513 4.662 1.00 0.00 H ATOM 289 N VAL A 80 32.465 -1.810 6.737 1.00 15.07 N ATOM 290 CA VAL A 80 31.216 -2.576 6.840 1.00 16.15 C ATOM 291 C VAL A 80 30.454 -2.149 8.089 1.00 17.84 C ATOM 292 O VAL A 80 30.982 -2.272 9.204 1.00 19.22 O ATOM 293 CB VAL A 80 31.490 -4.087 6.836 1.00 18.37 C ATOM 294 CG1 VAL A 80 30.207 -4.946 7.082 1.00 18.89 C ATOM 295 CG2 VAL A 80 32.114 -4.455 5.468 1.00 17.57 C ATOM 296 H VAL A 80 33.374 -2.308 6.827 1.00 0.00 H ATOM 297 N PRO A 81 29.211 -1.671 7.973 1.00 17.78 N ATOM 298 CA PRO A 81 28.489 -1.231 9.181 1.00 18.92 C ATOM 299 C PRO A 81 28.365 -2.271 10.287 1.00 18.32 C ATOM 300 O PRO A 81 28.490 -1.904 11.461 1.00 20.78 O ATOM 301 CB PRO A 81 27.116 -0.826 8.626 1.00 20.24 C ATOM 302 CG PRO A 81 27.414 -0.385 7.203 1.00 21.78 C ATOM 303 CD PRO A 81 28.527 -1.271 6.722 1.00 21.78 C ATOM 304 N VAL A 82 28.124 -3.545 9.973 1.00 18.38 N ATOM 305 CA VAL A 82 27.939 -4.524 11.046 1.00 19.89 C ATOM 306 C VAL A 82 29.260 -5.024 11.596 1.00 20.38 C ATOM 307 O VAL A 82 29.269 -5.752 12.590 1.00 21.55 O ATOM 308 CB VAL A 82 27.093 -5.749 10.629 1.00 20.59 C ATOM 309 CG1 VAL A 82 25.650 -5.344 10.406 1.00 22.88 C ATOM 310 CG2 VAL A 82 27.675 -6.432 9.419 1.00 23.07 C ATOM 311 H VAL A 82 28.068 -3.840 8.977 1.00 0.00 H ATOM 312 N ASN A 83 30.381 -4.642 10.986 1.00 17.46 N ATOM 313 CA ASN A 83 31.693 -4.974 11.522 1.00 18.54 C ATOM 314 C ASN A 83 32.651 -3.920 11.051 1.00 17.10 C ATOM 315 O ASN A 83 33.299 -4.081 10.011 1.00 16.22 O ATOM 316 CB ASN A 83 32.184 -6.329 11.054 1.00 18.31 C ATOM 317 CG ASN A 83 33.581 -6.607 11.537 1.00 20.35 C ATOM 318 OD1 ASN A 83 34.130 -5.848 12.357 1.00 22.64 O ATOM 319 ND2 ASN A 83 34.137 -7.716 11.102 1.00 23.47 N ATOM 320 HD22 ASN A 83 33.635 -8.315 10.416 1.00 0.00 H ATOM 321 HD21 ASN A 83 35.079 -7.994 11.444 1.00 0.00 H ATOM 322 H ASN A 83 30.317 -4.093 10.105 1.00 0.00 H ATOM 323 N PRO A 84 32.739 -2.806 11.777 1.00 17.76 N ATOM 324 CA PRO A 84 33.544 -1.661 11.314 1.00 19.30 C ATOM 325 C PRO A 84 35.021 -1.928 11.232 1.00 19.17 C ATOM 326 O PRO A 84 35.735 -1.110 10.652 1.00 21.24 O ATOM 327 CB PRO A 84 33.240 -0.570 12.346 1.00 27.54 C ATOM 328 CG PRO A 84 32.043 -0.998 13.076 1.00 24.15 C ATOM 329 CD PRO A 84 31.924 -2.479 12.965 1.00 19.93 C ATOM 330 N SER A 85 35.512 -3.052 11.732 1.00 15.81 N ATOM 331 CA SER A 85 36.899 -3.451 11.516 1.00 15.74 C ATOM 332 C SER A 85 37.145 -3.932 10.124 1.00 15.84 C ATOM 333 O SER A 85 38.296 -3.976 9.690 1.00 17.99 O ATOM 334 CB SER A 85 37.316 -4.609 12.427 1.00 18.04 C ATOM 335 OG SER A 85 37.418 -4.191 13.782 1.00 23.49 O ATOM 336 HG SER A 85 36.540 -3.850 14.088 1.00 0.00 H ATOM 337 H SER A 85 34.891 -3.668 12.295 1.00 0.00 H ATOM 338 N LEU A 86 36.096 -4.344 9.441 1.00 14.71 N ATOM 339 CA LEU A 86 36.198 -4.939 8.121 1.00 13.81 C ATOM 340 C LEU A 86 36.089 -3.876 7.036 1.00 13.27 C ATOM 341 O LEU A 86 35.051 -3.207 6.926 1.00 15.31 O ATOM 342 CB LEU A 86 35.097 -5.998 7.968 1.00 14.60 C ATOM 343 CG LEU A 86 35.009 -6.734 6.618 1.00 14.49 C ATOM 344 CD1 LEU A 86 36.289 -7.500 6.399 1.00 15.15 C ATOM 345 CD2 LEU A 86 33.774 -7.659 6.606 1.00 17.85 C ATOM 346 H LEU A 86 35.153 -4.238 9.867 1.00 0.00 H ATOM 347 N TYR A 87 37.139 -3.773 6.213 1.00 14.40 N ATOM 348 CA TYR A 87 37.188 -2.876 5.075 1.00 14.42 C ATOM 349 C TYR A 87 37.086 -3.702 3.813 1.00 15.22 C ATOM 350 O TYR A 87 37.702 -4.761 3.704 1.00 14.66 O ATOM 351 CB TYR A 87 38.480 -2.049 5.080 1.00 14.95 C ATOM 352 CG TYR A 87 38.577 -1.011 6.137 1.00 20.12 C ATOM 353 CD1 TYR A 87 38.056 0.256 5.918 1.00 35.33 C ATOM 354 CD2 TYR A 87 39.146 -1.307 7.364 1.00 25.31 C ATOM 355 CE1 TYR A 87 38.138 1.233 6.888 1.00 46.08 C ATOM 356 CE2 TYR A 87 39.236 -0.319 8.327 1.00 34.02 C ATOM 357 CZ TYR A 87 38.727 0.935 8.078 1.00 48.83 C ATOM 358 OH TYR A 87 38.795 1.923 9.032 1.00 63.08 O ATOM 359 HH TYR A 87 38.382 2.750 8.679 1.00 0.00 H ATOM 360 H TYR A 87 37.969 -4.371 6.401 1.00 0.00 H ATOM 361 N LEU A 88 36.273 -3.232 2.862 1.00 15.56 N ATOM 362 CA LEU A 88 36.251 -3.798 1.522 1.00 14.73 C ATOM 363 C LEU A 88 37.170 -2.948 0.662 1.00 12.36 C ATOM 364 O LEU A 88 37.153 -1.714 0.733 1.00 14.43 O ATOM 365 CB LEU A 88 34.843 -3.794 0.944 1.00 15.86 C ATOM 366 CG LEU A 88 33.795 -4.477 1.812 1.00 22.29 C ATOM 367 CD1 LEU A 88 32.488 -4.534 1.036 1.00 26.02 C ATOM 368 CD2 LEU A 88 34.279 -5.864 2.223 1.00 21.51 C ATOM 369 H LEU A 88 35.638 -2.439 3.086 1.00 0.00 H ATOM 370 N ILE A 89 37.994 -3.633 -0.128 1.00 12.99 N ATOM 371 CA ILE A 89 39.120 -3.026 -0.839 1.00 12.73 C ATOM 372 C ILE A 89 39.165 -3.566 -2.259 1.00 13.25 C ATOM 373 O ILE A 89 39.023 -4.773 -2.479 1.00 12.71 O ATOM 374 CB ILE A 89 40.452 -3.329 -0.138 1.00 14.47 C ATOM 375 CG1 ILE A 89 40.438 -2.907 1.358 1.00 15.46 C ATOM 376 CG2 ILE A 89 41.672 -2.712 -0.904 1.00 14.94 C ATOM 377 CD1 ILE A 89 41.570 -3.562 2.187 1.00 16.18 C ATOM 378 H ILE A 89 37.829 -4.653 -0.246 1.00 0.00 H ATOM 379 N LYS A 90 39.439 -2.656 -3.237 1.00 12.16 N ATOM 380 CA LYS A 90 39.717 -3.022 -4.631 1.00 13.88 C ATOM 381 C LYS A 90 41.198 -2.808 -4.835 1.00 14.33 C ATOM 382 O LYS A 90 41.684 -1.676 -4.785 1.00 14.81 O ATOM 383 CB LYS A 90 38.875 -2.193 -5.631 1.00 17.04 C ATOM 384 CG LYS A 90 39.169 -2.497 -7.088 1.00 20.71 C ATOM 385 CD LYS A 90 38.632 -3.801 -7.566 1.00 24.35 C ATOM 386 CE LYS A 90 38.611 -3.795 -9.122 1.00 26.94 C ATOM 387 NZ LYS A 90 39.985 -3.535 -9.720 1.00 25.31 N ATOM 388 HZ1 LYS A 90 40.331 -2.608 -9.400 1.00 0.00 H ATOM 389 HZ2 LYS A 90 40.643 -4.278 -9.410 1.00 0.00 H ATOM 390 HZ3 LYS A 90 39.917 -3.541 -10.758 1.00 0.00 H ATOM 391 H LYS A 90 39.452 -1.648 -2.981 1.00 0.00 H ATOM 392 N TYR A 91 41.931 -3.880 -5.085 1.00 12.49 N ATOM 393 CA TYR A 91 43.348 -3.777 -5.354 1.00 12.96 C ATOM 394 C TYR A 91 43.576 -3.504 -6.832 1.00 13.70 C ATOM 395 O TYR A 91 42.873 -4.047 -7.705 1.00 14.95 O ATOM 396 CB TYR A 91 44.048 -5.070 -4.928 1.00 14.62 C ATOM 397 CG TYR A 91 44.143 -5.159 -3.400 1.00 12.98 C ATOM 398 CD1 TYR A 91 45.192 -4.571 -2.727 1.00 11.72 C ATOM 399 CD2 TYR A 91 43.164 -5.801 -2.642 1.00 14.94 C ATOM 400 CE1 TYR A 91 45.252 -4.604 -1.357 1.00 12.76 C ATOM 401 CE2 TYR A 91 43.244 -5.852 -1.287 1.00 14.71 C ATOM 402 CZ TYR A 91 44.277 -5.269 -0.668 1.00 14.77 C ATOM 403 OH TYR A 91 44.361 -5.322 0.733 1.00 15.17 O ATOM 404 HH TYR A 91 45.177 -4.847 1.032 1.00 0.00 H ATOM 405 H TYR A 91 41.479 -4.817 -5.088 1.00 0.00 H ATOM 406 N ASP A 92 44.579 -2.661 -7.132 1.00 13.87 N ATOM 407 CA ASP A 92 44.864 -2.290 -8.489 1.00 16.96 C ATOM 408 C ASP A 92 45.166 -3.545 -9.289 1.00 18.76 C ATOM 409 O ASP A 92 46.045 -4.319 -8.907 1.00 19.86 O ATOM 410 CB ASP A 92 46.097 -1.359 -8.545 1.00 18.17 C ATOM 411 CG ASP A 92 45.870 0.004 -7.900 1.00 21.59 C ATOM 412 OD1 ASP A 92 44.745 0.273 -7.441 1.00 22.21 O ATOM 413 OD2 ASP A 92 46.856 0.809 -7.861 1.00 20.67 O ATOM 414 H ASP A 92 45.161 -2.269 -6.364 1.00 0.00 H ATOM 415 N GLY A 93 44.506 -3.692 -10.437 1.00 19.31 N ATOM 416 CA GLY A 93 44.785 -4.782 -11.351 1.00 21.47 C ATOM 417 C GLY A 93 44.057 -6.074 -11.053 1.00 20.98 C ATOM 418 O GLY A 93 44.173 -7.027 -11.843 1.00 23.84 O ATOM 419 H GLY A 93 43.767 -3.003 -10.685 1.00 0.00 H ATOM 420 N PHE A 94 43.364 -6.167 -9.936 1.00 16.16 N ATOM 421 CA PHE A 94 42.665 -7.385 -9.558 1.00 15.72 C ATOM 422 C PHE A 94 41.161 -7.105 -9.482 1.00 16.32 C ATOM 423 O PHE A 94 40.733 -6.076 -8.961 1.00 16.20 O ATOM 424 CB PHE A 94 43.207 -7.919 -8.215 1.00 15.30 C ATOM 425 CG PHE A 94 44.601 -8.473 -8.322 1.00 16.60 C ATOM 426 CD1 PHE A 94 45.687 -7.640 -8.242 1.00 17.04 C ATOM 427 CD2 PHE A 94 44.821 -9.813 -8.594 1.00 18.06 C ATOM 428 CE1 PHE A 94 46.983 -8.154 -8.405 1.00 20.27 C ATOM 429 CE2 PHE A 94 46.122 -10.306 -8.771 1.00 18.56 C ATOM 430 CZ PHE A 94 47.166 -9.476 -8.683 1.00 19.53 C ATOM 431 H PHE A 94 43.315 -5.342 -9.304 1.00 0.00 H ATOM 432 N ASP A 95 40.351 -8.004 -10.041 1.00 15.03 N ATOM 433 CA ASP A 95 38.958 -7.683 -10.280 1.00 15.36 C ATOM 434 C ASP A 95 38.018 -7.999 -9.112 1.00 17.36 C ATOM 435 O ASP A 95 36.904 -7.450 -9.075 1.00 16.56 O ATOM 436 CB ASP A 95 38.491 -8.443 -11.539 1.00 16.74 C ATOM 437 CG ASP A 95 39.298 -8.118 -12.780 1.00 20.92 C ATOM 438 OD1 ASP A 95 39.793 -6.967 -12.914 1.00 20.83 O ATOM 439 OD2 ASP A 95 39.396 -9.019 -13.680 1.00 20.92 O ATOM 440 H ASP A 95 40.720 -8.939 -10.307 1.00 0.00 H ATOM 441 N CYS A 96 38.410 -8.861 -8.174 1.00 15.83 N ATOM 442 CA CYS A 96 37.545 -9.194 -7.042 1.00 15.24 C ATOM 443 C CYS A 96 37.575 -8.110 -5.972 1.00 14.17 C ATOM 444 O CYS A 96 38.561 -7.359 -5.848 1.00 14.96 O ATOM 445 CB CYS A 96 37.971 -10.504 -6.431 1.00 15.86 C ATOM 446 SG CYS A 96 37.657 -11.897 -7.492 1.00 19.24 S ATOM 447 H CYS A 96 39.348 -9.305 -8.248 1.00 0.00 H ATOM 448 N VAL A 97 36.504 -8.027 -5.181 1.00 13.72 N ATOM 449 CA VAL A 97 36.479 -7.190 -3.985 1.00 14.55 C ATOM 450 C VAL A 97 36.959 -8.040 -2.817 1.00 14.75 C ATOM 451 O VAL A 97 36.467 -9.153 -2.579 1.00 15.54 O ATOM 452 CB VAL A 97 35.061 -6.636 -3.742 1.00 14.95 C ATOM 453 CG1 VAL A 97 34.989 -5.840 -2.416 1.00 15.56 C ATOM 454 CG2 VAL A 97 34.631 -5.739 -4.939 1.00 17.10 C ATOM 455 H VAL A 97 35.657 -8.578 -5.425 1.00 0.00 H ATOM 456 N TYR A 98 37.890 -7.507 -2.049 1.00 14.38 N ATOM 457 CA TYR A 98 38.430 -8.203 -0.902 1.00 13.35 C ATOM 458 C TYR A 98 38.048 -7.553 0.419 1.00 14.16 C ATOM 459 O TYR A 98 37.749 -6.366 0.475 1.00 15.66 O ATOM 460 CB TYR A 98 39.952 -8.291 -1.015 1.00 14.34 C ATOM 461 CG TYR A 98 40.377 -9.120 -2.184 1.00 13.52 C ATOM 462 CD1 TYR A 98 40.590 -8.513 -3.389 1.00 15.19 C ATOM 463 CD2 TYR A 98 40.552 -10.478 -2.066 1.00 17.33 C ATOM 464 CE1 TYR A 98 40.962 -9.274 -4.508 1.00 15.93 C ATOM 465 CE2 TYR A 98 40.896 -11.248 -3.150 1.00 19.37 C ATOM 466 CZ TYR A 98 41.127 -10.629 -4.352 1.00 17.17 C ATOM 467 OH TYR A 98 41.492 -11.383 -5.460 1.00 18.52 O ATOM 468 HH TYR A 98 41.619 -10.784 -6.238 1.00 0.00 H ATOM 469 H TYR A 98 38.247 -6.557 -2.275 1.00 0.00 H ATOM 470 N GLY A 99 37.908 -8.388 1.447 1.00 14.03 N ATOM 471 CA GLY A 99 37.622 -7.892 2.783 1.00 13.80 C ATOM 472 C GLY A 99 38.765 -8.199 3.724 1.00 15.46 C ATOM 473 O GLY A 99 39.176 -9.364 3.817 1.00 14.14 O ATOM 474 H GLY A 99 38.005 -9.412 1.291 1.00 0.00 H ATOM 475 N LEU A 100 39.289 -7.183 4.432 1.00 15.43 N ATOM 476 CA LEU A 100 40.327 -7.384 5.441 1.00 14.40 C ATOM 477 C LEU A 100 39.992 -6.632 6.706 1.00 15.84 C ATOM 478 O LEU A 100 39.519 -5.504 6.637 1.00 15.38 O ATOM 479 CB LEU A 100 41.674 -6.850 4.999 1.00 13.67 C ATOM 480 CG LEU A 100 42.401 -7.556 3.841 1.00 16.83 C ATOM 481 CD1 LEU A 100 43.684 -6.883 3.430 1.00 17.34 C ATOM 482 CD2 LEU A 100 42.635 -9.011 4.173 1.00 19.47 C ATOM 483 H LEU A 100 38.943 -6.218 4.255 1.00 0.00 H ATOM 484 N GLU A 101 40.243 -7.242 7.843 1.00 15.72 N ATOM 485 CA GLU A 101 40.156 -6.532 9.133 1.00 16.11 C ATOM 486 C GLU A 101 41.529 -5.925 9.359 1.00 16.73 C ATOM 487 O GLU A 101 42.392 -6.528 9.985 1.00 18.42 O ATOM 488 CB GLU A 101 39.731 -7.451 10.272 1.00 19.22 C ATOM 489 CG GLU A 101 38.320 -7.981 10.086 1.00 22.07 C ATOM 490 CD GLU A 101 37.885 -8.865 11.233 1.00 32.95 C ATOM 491 OE1 GLU A 101 38.615 -9.833 11.548 1.00 40.19 O ATOM 492 OE2 GLU A 101 36.850 -8.559 11.838 1.00 36.20 O ATOM 493 H GLU A 101 40.509 -8.247 7.833 1.00 0.00 H ATOM 494 N LEU A 102 41.748 -4.728 8.812 1.00 16.58 N ATOM 495 CA LEU A 102 43.090 -4.150 8.802 1.00 16.60 C ATOM 496 C LEU A 102 43.652 -3.958 10.210 1.00 18.86 C ATOM 497 O LEU A 102 44.879 -4.009 10.367 1.00 23.14 O ATOM 498 CB LEU A 102 43.052 -2.812 8.063 1.00 17.59 C ATOM 499 CG LEU A 102 42.739 -2.913 6.570 1.00 16.70 C ATOM 500 CD1 LEU A 102 42.616 -1.538 5.959 1.00 18.06 C ATOM 501 CD2 LEU A 102 43.851 -3.632 5.868 1.00 16.84 C ATOM 502 H LEU A 102 40.957 -4.202 8.389 1.00 0.00 H ATOM 503 N ASN A 103 42.800 -3.743 11.209 1.00 17.75 N ATOM 504 CA ASN A 103 43.285 -3.460 12.553 1.00 18.80 C ATOM 505 C ASN A 103 43.746 -4.692 13.307 1.00 21.77 C ATOM 506 O ASN A 103 44.346 -4.538 14.384 1.00 27.18 O ATOM 507 CB ASN A 103 42.204 -2.730 13.354 1.00 18.93 C ATOM 508 CG ASN A 103 40.920 -3.519 13.541 1.00 23.72 C ATOM 509 OD1 ASN A 103 40.742 -4.580 12.978 1.00 27.31 O ATOM 510 ND2 ASN A 103 39.977 -2.931 14.265 1.00 26.28 N ATOM 511 HD22 ASN A 103 40.171 -2.022 14.731 1.00 0.00 H ATOM 512 HD21 ASN A 103 39.044 -3.379 14.366 1.00 0.00 H ATOM 513 H ASN A 103 41.776 -3.777 11.028 1.00 0.00 H ATOM 514 N LYS A 104 43.412 -5.896 12.825 1.00 19.17 N ATOM 515 CA LYS A 104 43.665 -7.140 13.519 1.00 22.56 C ATOM 516 C LYS A 104 44.472 -8.153 12.729 1.00 20.05 C ATOM 517 O LYS A 104 44.976 -9.122 13.329 1.00 23.71 O ATOM 518 CB LYS A 104 42.333 -7.817 13.896 1.00 30.62 C ATOM 519 CG LYS A 104 41.463 -7.031 14.827 1.00 43.91 C ATOM 520 CD LYS A 104 40.090 -7.721 14.993 1.00 50.83 C ATOM 521 CE LYS A 104 38.924 -6.881 14.510 1.00 58.07 C ATOM 522 NZ LYS A 104 38.111 -6.365 15.638 1.00 68.10 N ATOM 523 HZ1 LYS A 104 37.733 -7.164 16.186 1.00 0.00 H ATOM 524 HZ2 LYS A 104 38.707 -5.774 16.252 1.00 0.00 H ATOM 525 HZ3 LYS A 104 37.324 -5.796 15.265 1.00 0.00 H ATOM 526 H LYS A 104 42.943 -5.939 11.898 1.00 0.00 H ATOM 527 N ASP A 105 44.618 -7.982 11.406 1.00 19.13 N ATOM 528 CA ASP A 105 45.154 -9.028 10.544 1.00 18.90 C ATOM 529 C ASP A 105 46.670 -8.888 10.508 1.00 18.95 C ATOM 530 O ASP A 105 47.207 -7.930 9.926 1.00 18.51 O ATOM 531 CB ASP A 105 44.542 -8.911 9.156 1.00 17.89 C ATOM 532 CG ASP A 105 44.805 -10.125 8.289 1.00 20.36 C ATOM 533 OD1 ASP A 105 45.872 -10.745 8.483 1.00 21.12 O ATOM 534 OD2 ASP A 105 43.916 -10.464 7.471 1.00 21.11 O ATOM 535 H ASP A 105 44.340 -7.074 10.982 1.00 0.00 H ATOM 536 N GLU A 106 47.345 -9.840 11.149 1.00 21.79 N ATOM 537 CA GLU A 106 48.776 -9.711 11.329 1.00 24.87 C ATOM 538 C GLU A 106 49.516 -9.937 10.029 1.00 20.48 C ATOM 539 O GLU A 106 50.727 -9.700 9.975 1.00 19.09 O ATOM 540 CB GLU A 106 49.272 -10.711 12.379 1.00 36.53 C ATOM 541 CG GLU A 106 48.588 -10.554 13.730 1.00 50.00 C ATOM 542 CD GLU A 106 49.015 -9.300 14.462 1.00 55.75 C ATOM 543 H GLU A 106 46.846 -10.674 11.519 1.00 0.00 H ATOM 544 N ARG A 107 48.812 -10.337 8.977 1.00 17.65 N ATOM 545 CA ARG A 107 49.464 -10.518 7.683 1.00 17.04 C ATOM 546 C ARG A 107 49.725 -9.184 6.994 1.00 16.13 C ATOM 547 O ARG A 107 50.548 -9.123 6.062 1.00 16.93 O ATOM 548 CB ARG A 107 48.607 -11.427 6.801 1.00 16.87 C ATOM 549 CG ARG A 107 48.505 -12.836 7.318 1.00 18.84 C ATOM 550 CD ARG A 107 47.479 -13.679 6.620 1.00 19.45 C ATOM 551 NE ARG A 107 46.131 -13.110 6.706 1.00 21.73 N ATOM 552 CZ ARG A 107 45.043 -13.626 6.134 1.00 24.26 C ATOM 553 NH1 ARG A 107 45.080 -14.773 5.447 1.00 26.28 N ATOM 554 NH2 ARG A 107 43.894 -12.978 6.256 1.00 21.95 N ATOM 555 HE ARG A 107 46.014 -12.235 7.256 1.00 0.00 H ATOM 556 HH12 ARG A 107 44.212 -15.148 5.013 1.00 0.00 H ATOM 557 HH11 ARG A 107 45.977 -15.290 5.347 1.00 0.00 H ATOM 558 HH22 ARG A 107 43.032 -13.361 5.818 1.00 0.00 H ATOM 559 HH21 ARG A 107 43.854 -12.086 6.789 1.00 0.00 H ATOM 560 H ARG A 107 47.793 -10.522 9.075 1.00 0.00 H ATOM 561 N VAL A 108 49.080 -8.112 7.453 1.00 15.01 N ATOM 562 CA VAL A 108 49.227 -6.765 6.910 1.00 14.73 C ATOM 563 C VAL A 108 50.356 -6.062 7.625 1.00 17.27 C ATOM 564 O VAL A 108 50.386 -6.044 8.876 1.00 18.55 O ATOM 565 CB VAL A 108 47.919 -5.967 7.096 1.00 14.19 C ATOM 566 CG1 VAL A 108 48.111 -4.544 6.677 1.00 18.71 C ATOM 567 CG2 VAL A 108 46.775 -6.633 6.355 1.00 17.38 C ATOM 568 H VAL A 108 48.428 -8.244 8.252 1.00 0.00 H ATOM 569 N SER A 109 51.257 -5.454 6.865 1.00 15.72 N ATOM 570 CA SER A 109 52.328 -4.670 7.437 1.00 17.22 C ATOM 571 C SER A 109 52.488 -3.353 6.708 1.00 16.32 C ATOM 572 O SER A 109 52.065 -3.199 5.559 1.00 15.31 O ATOM 573 CB SER A 109 53.643 -5.455 7.407 1.00 19.03 C ATOM 574 OG SER A 109 54.090 -5.742 6.091 1.00 20.42 O ATOM 575 HG SER A 109 53.406 -6.283 5.622 1.00 0.00 H ATOM 576 H SER A 109 51.191 -5.544 5.831 1.00 0.00 H ATOM 577 N ALA A 110 53.112 -2.380 7.383 1.00 18.19 N ATOM 578 CA ALA A 110 53.532 -1.162 6.701 1.00 18.15 C ATOM 579 C ALA A 110 52.350 -0.503 5.971 1.00 15.36 C ATOM 580 O ALA A 110 52.443 -0.086 4.807 1.00 16.25 O ATOM 581 CB ALA A 110 54.692 -1.453 5.764 1.00 21.63 C ATOM 582 H ALA A 110 53.298 -2.494 8.400 1.00 0.00 H ATOM 583 N LEU A 111 51.223 -0.431 6.660 1.00 14.90 N ATOM 584 CA LEU A 111 50.017 0.171 6.087 1.00 13.44 C ATOM 585 C LEU A 111 50.194 1.665 5.981 1.00 14.43 C ATOM 586 O LEU A 111 50.479 2.346 6.975 1.00 15.56 O ATOM 587 CB LEU A 111 48.798 -0.166 6.917 1.00 16.76 C ATOM 588 CG LEU A 111 47.520 0.452 6.399 1.00 15.26 C ATOM 589 CD1 LEU A 111 47.073 -0.164 5.061 1.00 14.80 C ATOM 590 CD2 LEU A 111 46.426 0.279 7.416 1.00 16.24 C ATOM 591 H LEU A 111 51.193 -0.810 7.628 1.00 0.00 H ATOM 592 N GLU A 112 49.999 2.192 4.755 1.00 13.78 N ATOM 593 CA GLU A 112 50.167 3.596 4.443 1.00 15.29 C ATOM 594 C GLU A 112 48.950 4.105 3.680 1.00 15.73 C ATOM 595 O GLU A 112 48.413 3.410 2.806 1.00 17.22 O ATOM 596 CB GLU A 112 51.427 3.846 3.584 1.00 25.51 C ATOM 597 CG GLU A 112 52.731 3.473 4.223 1.00 45.99 C ATOM 598 CD GLU A 112 53.906 3.688 3.272 1.00 62.25 C ATOM 599 OE1 GLU A 112 54.073 2.880 2.333 1.00 68.99 O ATOM 600 OE2 GLU A 112 54.640 4.679 3.448 1.00 68.17 O ATOM 601 H GLU A 112 49.711 1.552 3.988 1.00 0.00 H ATOM 602 N VAL A 113 48.571 5.342 3.953 1.00 16.08 N ATOM 603 CA VAL A 113 47.611 6.084 3.146 1.00 17.44 C ATOM 604 C VAL A 113 48.380 6.783 2.040 1.00 17.80 C ATOM 605 O VAL A 113 49.340 7.521 2.301 1.00 18.52 O ATOM 606 CB VAL A 113 46.858 7.105 4.015 1.00 20.17 C ATOM 607 CG1 VAL A 113 45.938 7.962 3.152 1.00 20.07 C ATOM 608 CG2 VAL A 113 46.099 6.404 5.125 1.00 21.75 C ATOM 609 H VAL A 113 48.979 5.810 4.787 1.00 0.00 H ATOM 610 N LEU A 114 47.955 6.572 0.779 1.00 17.85 N ATOM 611 CA LEU A 114 48.612 7.199 -0.344 1.00 18.09 C ATOM 612 C LEU A 114 48.045 8.573 -0.577 1.00 19.87 C ATOM 613 O LEU A 114 46.920 8.875 -0.135 1.00 19.05 O ATOM 614 CB LEU A 114 48.458 6.384 -1.623 1.00 21.01 C ATOM 615 CG LEU A 114 49.097 4.991 -1.558 1.00 23.84 C ATOM 616 CD1 LEU A 114 48.661 4.137 -2.742 1.00 25.13 C ATOM 617 CD2 LEU A 114 50.613 5.133 -1.545 1.00 29.97 C ATOM 618 H LEU A 114 47.140 5.947 0.612 1.00 0.00 H ATOM 619 N PRO A 115 48.808 9.428 -1.249 1.00 24.57 N ATOM 620 CA PRO A 115 48.333 10.771 -1.539 1.00 26.39 C ATOM 621 C PRO A 115 46.966 10.721 -2.204 1.00 29.54 C ATOM 622 O PRO A 115 46.688 9.843 -3.025 1.00 29.62 O ATOM 623 CB PRO A 115 49.408 11.328 -2.480 1.00 31.62 C ATOM 624 CG PRO A 115 50.661 10.614 -2.083 1.00 32.28 C ATOM 625 CD PRO A 115 50.216 9.239 -1.651 1.00 30.45 C ATOM 626 N ASP A 116 46.118 11.686 -1.852 1.00 29.32 N ATOM 627 CA ASP A 116 44.705 11.601 -2.161 1.00 35.10 C ATOM 628 C ASP A 116 44.494 11.969 -3.622 1.00 36.71 C ATOM 629 O ASP A 116 45.086 12.932 -4.108 1.00 38.28 O ATOM 630 CB ASP A 116 43.909 12.524 -1.244 1.00 39.74 C ATOM 631 CG ASP A 116 43.735 11.937 0.149 1.00 34.50 C ATOM 632 OD1 ASP A 116 42.980 10.941 0.274 1.00 31.13 O ATOM 633 OD2 ASP A 116 44.389 12.462 1.081 1.00 32.47 O ATOM 634 H ASP A 116 46.478 12.519 -1.344 1.00 0.00 H ATOM 635 N ARG A 117 43.704 11.158 -4.316 1.00 34.48 N ATOM 636 CA ARG A 117 43.291 11.490 -5.673 1.00 35.32 C ATOM 637 C ARG A 117 42.640 12.864 -5.700 1.00 41.26 C ATOM 638 O ARG A 117 41.963 13.270 -4.750 1.00 43.19 O ATOM 639 CB ARG A 117 42.298 10.453 -6.193 1.00 37.68 C ATOM 640 CG ARG A 117 42.858 9.081 -6.408 1.00 47.02 C ATOM 641 CD ARG A 117 41.905 8.042 -5.821 1.00 55.52 C ATOM 642 NE ARG A 117 40.575 8.085 -6.422 1.00 65.45 N ATOM 643 CZ ARG A 117 39.478 7.620 -5.828 1.00 76.29 C ATOM 644 NH1 ARG A 117 38.302 7.685 -6.441 1.00 77.91 N ATOM 645 NH2 ARG A 117 39.559 7.102 -4.612 1.00 80.53 N ATOM 646 HE ARG A 117 40.479 8.503 -7.369 1.00 0.00 H ATOM 647 HH12 ARG A 117 37.449 7.320 -5.971 1.00 0.00 H ATOM 648 HH11 ARG A 117 38.233 8.101 -7.392 1.00 0.00 H ATOM 649 HH22 ARG A 117 38.705 6.738 -4.144 1.00 0.00 H ATOM 650 HH21 ARG A 117 40.477 7.060 -4.125 1.00 0.00 H ATOM 651 H ARG A 117 43.375 10.271 -3.884 1.00 0.00 H ATOM 652 N VAL A 118 42.833 13.576 -6.806 1.00 50.56 N ATOM 653 CA VAL A 118 42.185 14.863 -7.034 1.00 46.47 C ATOM 654 C VAL A 118 40.893 14.630 -7.803 1.00 46.18 C ATOM 655 O VAL A 118 40.924 14.190 -8.958 1.00 40.74 O ATOM 656 CB VAL A 118 43.101 15.812 -7.814 1.00 35.99 C ATOM 657 CG1 VAL A 118 42.434 17.166 -7.984 1.00 34.76 C ATOM 658 CG2 VAL A 118 44.418 16.002 -7.099 1.00 42.03 C ATOM 659 H VAL A 118 43.471 13.201 -7.537 1.00 0.00 H ATOM 660 N ALA A 119 39.762 14.960 -7.184 1.00 52.57 N ATOM 661 CA ALA A 119 38.460 14.778 -7.829 1.00 63.85 C ATOM 662 C ALA A 119 38.303 15.682 -9.052 1.00 67.47 C ATOM 663 O ALA A 119 38.534 16.889 -8.973 1.00 70.95 O ATOM 664 CB ALA A 119 37.343 15.042 -6.835 1.00 68.20 C ATOM 665 H ALA A 119 39.804 15.355 -6.223 1.00 0.00 H TER 666 ALA A 119 ATOM 667 N LEU A 128 23.289 7.741 -17.849 1.00 92.10 N ATOM 668 CA LEU A 128 23.812 6.684 -16.997 1.00 87.52 C ATOM 669 C LEU A 128 23.086 5.362 -17.260 1.00 89.72 C ATOM 670 O LEU A 128 22.165 5.299 -18.075 1.00 89.68 O ATOM 671 CB LEU A 128 23.691 7.084 -15.524 1.00 78.25 C ATOM 672 CG LEU A 128 22.322 7.540 -15.025 1.00 70.99 C ATOM 673 CD1 LEU A 128 21.380 6.367 -14.748 1.00 66.92 C ATOM 674 CD2 LEU A 128 22.510 8.406 -13.770 1.00 66.40 C ATOM 675 HN3 LEU A 128 22.275 7.871 -17.656 1.00 0.00 H ATOM 676 HN2 LEU A 128 23.422 7.478 -18.846 1.00 0.00 H ATOM 677 HN1 LEU A 128 23.797 8.627 -17.652 1.00 0.00 H ATOM 678 N ALA A 129 23.507 4.309 -16.561 1.00 82.68 N ATOM 679 CA ALA A 129 22.969 2.967 -16.747 1.00 76.29 C ATOM 680 C ALA A 129 22.689 2.311 -15.405 1.00 70.93 C ATOM 681 O ALA A 129 23.077 1.171 -15.143 1.00 63.88 O ATOM 682 CB ALA A 129 23.921 2.108 -17.566 1.00 78.04 C ATOM 683 H ALA A 129 24.253 4.451 -15.851 1.00 0.00 H ATOM 684 N ASP A 130 21.997 3.029 -14.523 1.00 74.65 N ATOM 685 CA ASP A 130 21.354 2.351 -13.411 1.00 76.78 C ATOM 686 C ASP A 130 20.359 1.310 -13.902 1.00 64.70 C ATOM 687 O ASP A 130 19.947 0.451 -13.119 1.00 61.93 O ATOM 688 CB ASP A 130 20.659 3.368 -12.499 1.00 90.08 C ATOM 689 CG ASP A 130 21.638 4.121 -11.604 1.00 92.97 C ATOM 690 OD1 ASP A 130 22.810 3.700 -11.504 1.00 91.31 O ATOM 691 OD2 ASP A 130 21.235 5.135 -10.997 1.00 94.85 O ATOM 692 H ASP A 130 21.918 4.061 -14.629 1.00 0.00 H ATOM 693 N THR A 131 19.985 1.355 -15.183 1.00 56.03 N ATOM 694 CA THR A 131 19.120 0.332 -15.755 1.00 48.05 C ATOM 695 C THR A 131 19.776 -1.052 -15.750 1.00 40.01 C ATOM 696 O THR A 131 19.080 -2.064 -15.871 1.00 39.89 O ATOM 697 CB THR A 131 18.730 0.717 -17.196 1.00 49.05 C ATOM 698 OG1 THR A 131 19.829 0.482 -18.084 1.00 54.49 O ATOM 699 CG2 THR A 131 18.332 2.205 -17.304 1.00 45.58 C ATOM 700 HG1 THR A 131 19.567 0.733 -19.005 1.00 0.00 H ATOM 701 H THR A 131 20.318 2.136 -15.784 1.00 0.00 H ATOM 702 N MET A 132 21.092 -1.126 -15.637 1.00 37.71 N ATOM 703 CA MET A 132 21.756 -2.422 -15.646 1.00 35.07 C ATOM 704 C MET A 132 21.650 -3.147 -14.313 1.00 31.28 C ATOM 705 O MET A 132 21.828 -4.366 -14.272 1.00 26.99 O ATOM 706 CB MET A 132 23.230 -2.264 -15.965 1.00 34.73 C ATOM 707 CG MET A 132 23.540 -1.827 -17.391 1.00 40.72 C ATOM 708 SD MET A 132 25.326 -1.722 -17.651 1.00 45.05 S ATOM 709 CE MET A 132 25.904 -2.804 -16.369 1.00 40.66 C ATOM 710 H MET A 132 21.654 -0.256 -15.541 1.00 0.00 H ATOM 711 N ILE A 133 21.361 -2.427 -13.230 1.00 30.66 N ATOM 712 CA ILE A 133 21.365 -3.047 -11.908 1.00 28.47 C ATOM 713 C ILE A 133 20.274 -4.104 -11.825 1.00 25.72 C ATOM 714 O ILE A 133 19.113 -3.840 -12.142 1.00 28.28 O ATOM 715 CB ILE A 133 21.170 -1.970 -10.826 1.00 33.21 C ATOM 716 CG1 ILE A 133 22.235 -0.873 -10.931 1.00 41.52 C ATOM 717 CG2 ILE A 133 21.158 -2.587 -9.418 1.00 33.07 C ATOM 718 CD1 ILE A 133 23.627 -1.363 -10.976 1.00 51.86 C ATOM 719 H ILE A 133 21.131 -1.417 -13.327 1.00 0.00 H ATOM 720 N GLY A 134 20.628 -5.294 -11.359 1.00 26.01 N ATOM 721 CA GLY A 134 19.632 -6.344 -11.249 1.00 27.84 C ATOM 722 C GLY A 134 19.494 -7.220 -12.466 1.00 30.08 C ATOM 723 O GLY A 134 18.751 -8.211 -12.412 1.00 37.10 O ATOM 724 H GLY A 134 21.612 -5.474 -11.074 1.00 0.00 H ATOM 725 N LYS A 135 20.185 -6.896 -13.560 1.00 27.79 N ATOM 726 CA LYS A 135 20.028 -7.606 -14.818 1.00 31.56 C ATOM 727 C LYS A 135 20.929 -8.834 -14.883 1.00 28.25 C ATOM 728 O LYS A 135 22.068 -8.814 -14.395 1.00 25.20 O ATOM 729 CB LYS A 135 20.355 -6.683 -15.995 1.00 34.47 C ATOM 730 CG LYS A 135 19.409 -5.491 -16.172 1.00 40.32 C ATOM 731 CD LYS A 135 18.081 -5.924 -16.678 1.00 45.35 C ATOM 732 CE LYS A 135 17.298 -4.736 -17.245 1.00 50.97 C ATOM 733 NZ LYS A 135 16.998 -3.730 -16.188 1.00 54.49 N ATOM 734 HZ1 LYS A 135 16.429 -4.175 -15.439 1.00 0.00 H ATOM 735 HZ2 LYS A 135 17.889 -3.377 -15.784 1.00 0.00 H ATOM 736 HZ3 LYS A 135 16.467 -2.939 -16.605 1.00 0.00 H ATOM 737 H LYS A 135 20.860 -6.107 -13.511 1.00 0.00 H ATOM 738 N ALA A 136 20.391 -9.902 -15.486 1.00 29.30 N ATOM 739 CA ALA A 136 21.205 -11.018 -15.933 1.00 25.82 C ATOM 740 C ALA A 136 21.998 -10.575 -17.151 1.00 24.86 C ATOM 741 O ALA A 136 21.468 -9.891 -18.041 1.00 28.03 O ATOM 742 CB ALA A 136 20.325 -12.220 -16.300 1.00 27.38 C ATOM 743 H ALA A 136 19.363 -9.933 -15.638 1.00 0.00 H ATOM 744 N VAL A 137 23.289 -10.932 -17.175 1.00 23.05 N ATOM 745 CA VAL A 137 24.172 -10.523 -18.262 1.00 23.20 C ATOM 746 C VAL A 137 25.059 -11.673 -18.722 1.00 20.85 C ATOM 747 O VAL A 137 25.299 -12.642 -18.001 1.00 23.29 O ATOM 748 CB VAL A 137 25.084 -9.336 -17.854 1.00 22.34 C ATOM 749 CG1 VAL A 137 24.292 -8.107 -17.548 1.00 23.52 C ATOM 750 CG2 VAL A 137 25.973 -9.707 -16.706 1.00 23.74 C ATOM 751 H VAL A 137 23.670 -11.514 -16.402 1.00 0.00 H ATOM 752 N GLU A 138 25.538 -11.556 -19.956 1.00 21.29 N ATOM 753 CA GLU A 138 26.601 -12.405 -20.449 1.00 21.56 C ATOM 754 C GLU A 138 27.798 -11.488 -20.661 1.00 20.01 C ATOM 755 O GLU A 138 27.698 -10.550 -21.455 1.00 21.81 O ATOM 756 CB GLU A 138 26.184 -13.058 -21.765 1.00 26.63 C ATOM 757 CG GLU A 138 27.162 -14.028 -22.338 1.00 30.05 C ATOM 758 CD GLU A 138 26.530 -14.821 -23.465 1.00 39.64 C ATOM 759 OE1 GLU A 138 26.335 -14.246 -24.547 1.00 41.21 O ATOM 760 OE2 GLU A 138 26.187 -15.996 -23.252 1.00 38.85 O ATOM 761 H GLU A 138 25.137 -10.833 -20.586 1.00 0.00 H ATOM 762 N HIS A 139 28.906 -11.774 -19.994 1.00 19.77 N ATOM 763 CA HIS A 139 30.058 -10.871 -19.934 1.00 18.80 C ATOM 764 C HIS A 139 31.244 -11.516 -20.646 1.00 18.18 C ATOM 765 O HIS A 139 31.770 -12.526 -20.176 1.00 20.19 O ATOM 766 CB HIS A 139 30.351 -10.570 -18.481 1.00 18.41 C ATOM 767 CG HIS A 139 31.204 -9.362 -18.264 1.00 17.08 C ATOM 768 ND1 HIS A 139 31.652 -9.020 -17.000 1.00 17.67 N ATOM 769 CD2 HIS A 139 31.671 -8.413 -19.113 1.00 19.59 C ATOM 770 CE1 HIS A 139 32.367 -7.907 -17.091 1.00 17.84 C ATOM 771 NE2 HIS A 139 32.415 -7.532 -18.359 1.00 17.72 N ATOM 772 H HIS A 139 28.961 -12.682 -19.489 1.00 0.00 H ATOM 773 N MET A 140 31.645 -10.941 -21.785 1.00 20.34 N ATOM 774 CA MET A 140 32.692 -11.517 -22.628 1.00 24.25 C ATOM 775 C MET A 140 34.076 -10.999 -22.253 1.00 23.70 C ATOM 776 O MET A 140 34.226 -9.848 -21.838 1.00 25.09 O ATOM 777 CB MET A 140 32.415 -11.195 -24.114 1.00 36.22 C ATOM 778 CG MET A 140 33.390 -11.830 -25.081 1.00 53.05 C ATOM 779 SD MET A 140 32.626 -12.166 -26.695 1.00 66.65 S ATOM 780 CE MET A 140 31.779 -10.605 -27.031 1.00 73.99 C ATOM 781 H MET A 140 31.196 -10.051 -22.082 1.00 0.00 H ATOM 782 N PHE A 141 35.090 -11.862 -22.394 1.00 23.58 N ATOM 783 CA PHE A 141 36.460 -11.496 -22.039 1.00 22.66 C ATOM 784 C PHE A 141 37.442 -12.316 -22.863 1.00 25.24 C ATOM 785 O PHE A 141 37.103 -13.348 -23.440 1.00 27.00 O ATOM 786 CB PHE A 141 36.735 -11.684 -20.539 1.00 22.86 C ATOM 787 CG PHE A 141 36.512 -13.110 -20.064 1.00 22.60 C ATOM 788 CD1 PHE A 141 35.243 -13.541 -19.779 1.00 22.44 C ATOM 789 CD2 PHE A 141 37.561 -14.008 -19.952 1.00 23.13 C ATOM 790 CE1 PHE A 141 35.008 -14.844 -19.345 1.00 20.73 C ATOM 791 CE2 PHE A 141 37.346 -15.306 -19.567 1.00 23.64 C ATOM 792 CZ PHE A 141 36.058 -15.734 -19.257 1.00 23.41 C ATOM 793 H PHE A 141 34.898 -12.815 -22.765 1.00 0.00 H ATOM 794 N GLU A 142 38.680 -11.842 -22.890 1.00 29.67 N ATOM 795 CA GLU A 142 39.748 -12.492 -23.635 1.00 34.31 C ATOM 796 C GLU A 142 40.545 -13.400 -22.713 1.00 30.98 C ATOM 797 O GLU A 142 40.778 -13.052 -21.554 1.00 28.61 O ATOM 798 CB GLU A 142 40.660 -11.434 -24.266 1.00 45.86 C ATOM 799 CG GLU A 142 41.700 -11.982 -25.227 1.00 58.07 C ATOM 800 CD GLU A 142 42.548 -10.894 -25.885 1.00 64.58 C ATOM 801 OE1 GLU A 142 42.436 -9.702 -25.515 1.00 63.84 O ATOM 802 OE2 GLU A 142 43.340 -11.242 -26.785 1.00 70.43 O ATOM 803 H GLU A 142 38.896 -10.974 -22.359 1.00 0.00 H ATOM 804 N THR A 143 40.955 -14.567 -23.221 1.00 35.02 N ATOM 805 CA THR A 143 41.817 -15.470 -22.467 1.00 39.14 C ATOM 806 C THR A 143 43.271 -15.280 -22.892 1.00 44.63 C ATOM 807 O THR A 143 43.587 -14.512 -23.805 1.00 45.34 O ATOM 808 CB THR A 143 41.412 -16.937 -22.648 1.00 40.01 C ATOM 809 OG1 THR A 143 41.812 -17.393 -23.942 1.00 38.51 O ATOM 810 CG2 THR A 143 39.914 -17.126 -22.472 1.00 46.55 C ATOM 811 HG1 THR A 143 42.795 -17.311 -24.030 1.00 0.00 H ATOM 812 H THR A 143 40.651 -14.838 -24.178 1.00 0.00 H ATOM 813 N GLU A 144 44.165 -16.021 -22.219 1.00 48.86 N ATOM 814 CA GLU A 144 45.603 -15.824 -22.393 1.00 52.81 C ATOM 815 C GLU A 144 46.037 -16.090 -23.826 1.00 59.82 C ATOM 816 O GLU A 144 46.959 -15.437 -24.328 1.00 61.22 O ATOM 817 CB GLU A 144 46.377 -16.730 -21.434 1.00 51.75 C ATOM 818 H GLU A 144 43.827 -16.751 -21.560 1.00 0.00 H ATOM 819 N ASP A 145 45.402 -17.051 -24.498 1.00 65.56 N ATOM 820 CA ASP A 145 45.751 -17.377 -25.875 1.00 65.48 C ATOM 821 C ASP A 145 45.030 -16.502 -26.889 1.00 58.16 C ATOM 822 O ASP A 145 45.202 -16.701 -28.097 1.00 58.38 O ATOM 823 CB ASP A 145 45.460 -18.858 -26.171 1.00 70.30 C ATOM 824 CG ASP A 145 43.988 -19.208 -26.079 1.00 69.05 C ATOM 825 OD1 ASP A 145 43.145 -18.290 -26.042 1.00 67.19 O ATOM 826 OD2 ASP A 145 43.673 -20.417 -26.045 1.00 69.88 O ATOM 827 H ASP A 145 44.640 -17.580 -24.028 1.00 0.00 H ATOM 828 N GLY A 146 44.223 -15.546 -26.433 1.00 52.70 N ATOM 829 CA GLY A 146 43.543 -14.637 -27.325 1.00 46.58 C ATOM 830 C GLY A 146 42.149 -15.062 -27.721 1.00 44.97 C ATOM 831 O GLY A 146 41.460 -14.291 -28.406 1.00 43.15 O ATOM 832 H GLY A 146 44.079 -15.452 -25.407 1.00 0.00 H ATOM 833 N SER A 147 41.697 -16.243 -27.302 1.00 47.60 N ATOM 834 CA SER A 147 40.354 -16.682 -27.646 1.00 44.18 C ATOM 835 C SER A 147 39.332 -16.066 -26.694 1.00 39.98 C ATOM 836 O SER A 147 39.645 -15.699 -25.556 1.00 40.34 O ATOM 837 CB SER A 147 40.257 -18.210 -27.635 1.00 44.33 C ATOM 838 OG SER A 147 40.596 -18.757 -26.381 1.00 45.87 O ATOM 839 HG SER A 147 41.526 -18.506 -26.153 1.00 0.00 H ATOM 840 H SER A 147 42.309 -16.855 -26.725 1.00 0.00 H ATOM 841 N LYS A 148 38.103 -15.927 -27.186 1.00 37.06 N ATOM 842 CA LYS A 148 37.030 -15.278 -26.450 1.00 33.53 C ATOM 843 C LYS A 148 36.301 -16.296 -25.589 1.00 30.43 C ATOM 844 O LYS A 148 36.124 -17.461 -25.977 1.00 32.70 O ATOM 845 CB LYS A 148 36.036 -14.615 -27.408 1.00 40.26 C ATOM 846 CG LYS A 148 36.664 -13.749 -28.517 1.00 44.89 C ATOM 847 H LYS A 148 37.902 -16.298 -28.136 1.00 0.00 H ATOM 848 N ASP A 149 35.896 -15.859 -24.399 1.00 27.63 N ATOM 849 CA ASP A 149 35.045 -16.681 -23.551 1.00 26.65 C ATOM 850 C ASP A 149 34.013 -15.754 -22.929 1.00 23.64 C ATOM 851 O ASP A 149 34.054 -14.530 -23.096 1.00 23.93 O ATOM 852 CB ASP A 149 35.882 -17.457 -22.518 1.00 28.26 C ATOM 853 CG ASP A 149 35.122 -18.612 -21.870 1.00 36.54 C ATOM 854 OD1 ASP A 149 33.968 -18.905 -22.261 1.00 38.83 O ATOM 855 OD2 ASP A 149 35.696 -19.242 -20.946 1.00 41.19 O ATOM 856 H ASP A 149 36.191 -14.918 -24.070 1.00 0.00 H ATOM 857 N GLU A 150 33.034 -16.337 -22.241 1.00 22.46 N ATOM 858 CA GLU A 150 31.991 -15.508 -21.648 1.00 26.24 C ATOM 859 C GLU A 150 31.485 -16.185 -20.399 1.00 22.00 C ATOM 860 O GLU A 150 31.370 -17.413 -20.370 1.00 25.27 O ATOM 861 CB GLU A 150 30.807 -15.283 -22.619 1.00 42.20 C ATOM 862 CG GLU A 150 29.988 -16.536 -22.960 1.00 62.51 C ATOM 863 CD GLU A 150 29.034 -17.014 -21.849 1.00 73.19 C ATOM 864 OE1 GLU A 150 28.664 -18.205 -21.849 1.00 74.78 O ATOM 865 OE2 GLU A 150 28.659 -16.208 -20.974 1.00 76.10 O ATOM 866 H GLU A 150 33.013 -17.371 -22.128 1.00 0.00 H ATOM 867 N TRP A 151 31.172 -15.379 -19.376 1.00 18.70 N ATOM 868 CA TRP A 151 30.523 -15.848 -18.160 1.00 18.50 C ATOM 869 C TRP A 151 29.182 -15.160 -17.979 1.00 20.93 C ATOM 870 O TRP A 151 29.068 -13.936 -18.155 1.00 23.78 O ATOM 871 CB TRP A 151 31.361 -15.550 -16.920 1.00 21.54 C ATOM 872 CG TRP A 151 32.548 -16.389 -16.704 1.00 19.23 C ATOM 873 CD1 TRP A 151 33.053 -17.326 -17.519 1.00 22.28 C ATOM 874 CD2 TRP A 151 33.383 -16.362 -15.539 1.00 20.32 C ATOM 875 NE1 TRP A 151 34.167 -17.923 -16.939 1.00 23.89 N ATOM 876 CE2 TRP A 151 34.395 -17.328 -15.729 1.00 22.14 C ATOM 877 CE3 TRP A 151 33.359 -15.628 -14.357 1.00 20.53 C ATOM 878 CZ2 TRP A 151 35.381 -17.577 -14.750 1.00 25.53 C ATOM 879 CZ3 TRP A 151 34.357 -15.855 -13.399 1.00 21.25 C ATOM 880 CH2 TRP A 151 35.332 -16.826 -13.598 1.00 22.77 C ATOM 881 HE1 TRP A 151 34.731 -18.692 -17.355 1.00 0.00 H ATOM 882 H TRP A 151 31.404 -14.368 -19.454 1.00 0.00 H ATOM 883 N ARG A 152 28.190 -15.935 -17.529 1.00 20.42 N ATOM 884 CA ARG A 152 26.885 -15.383 -17.222 1.00 21.74 C ATOM 885 C ARG A 152 26.857 -15.005 -15.749 1.00 21.97 C ATOM 886 O ARG A 152 27.399 -15.713 -14.889 1.00 21.14 O ATOM 887 CB ARG A 152 25.777 -16.370 -17.577 1.00 24.15 C ATOM 888 CG ARG A 152 25.745 -16.480 -19.123 1.00 25.32 C ATOM 889 CD ARG A 152 24.698 -17.316 -19.553 1.00 27.41 C ATOM 890 NE ARG A 152 24.676 -17.206 -21.022 1.00 28.56 N ATOM 891 CZ ARG A 152 23.620 -17.524 -21.722 1.00 31.01 C ATOM 892 NH1 ARG A 152 23.627 -17.398 -23.040 1.00 28.86 N ATOM 893 NH2 ARG A 152 22.551 -18.032 -21.114 1.00 35.41 N ATOM 894 HE ARG A 152 25.526 -16.865 -21.516 1.00 0.00 H ATOM 895 HH12 ARG A 152 22.783 -17.653 -23.591 1.00 0.00 H ATOM 896 HH11 ARG A 152 24.477 -17.044 -23.524 1.00 0.00 H ATOM 897 HH22 ARG A 152 21.709 -18.286 -21.669 1.00 0.00 H ATOM 898 HH21 ARG A 152 22.558 -18.175 -20.084 1.00 0.00 H ATOM 899 H ARG A 152 28.358 -16.953 -17.397 1.00 0.00 H ATOM 900 N GLY A 153 26.254 -13.876 -15.469 1.00 20.23 N ATOM 901 CA GLY A 153 26.164 -13.408 -14.109 1.00 20.19 C ATOM 902 C GLY A 153 25.053 -12.400 -13.924 1.00 19.10 C ATOM 903 O GLY A 153 24.152 -12.283 -14.749 1.00 21.69 O ATOM 904 H GLY A 153 25.836 -13.312 -16.236 1.00 0.00 H ATOM 905 N MET A 154 25.151 -11.635 -12.827 1.00 18.40 N ATOM 906 CA MET A 154 24.088 -10.712 -12.438 1.00 20.93 C ATOM 907 C MET A 154 24.773 -9.431 -11.972 1.00 20.36 C ATOM 908 O MET A 154 25.700 -9.474 -11.145 1.00 20.59 O ATOM 909 CB MET A 154 23.205 -11.285 -11.299 1.00 25.80 C ATOM 910 CG MET A 154 22.218 -10.302 -10.758 1.00 33.58 C ATOM 911 SD MET A 154 21.464 -10.959 -9.230 1.00 41.19 S ATOM 912 CE MET A 154 19.810 -11.150 -9.878 1.00 56.49 C ATOM 913 H MET A 154 26.006 -11.701 -12.238 1.00 0.00 H ATOM 914 N VAL A 155 24.339 -8.297 -12.521 1.00 20.00 N ATOM 915 CA VAL A 155 24.756 -6.994 -12.031 1.00 18.52 C ATOM 916 C VAL A 155 24.059 -6.721 -10.707 1.00 18.85 C ATOM 917 O VAL A 155 22.827 -6.693 -10.642 1.00 18.94 O ATOM 918 CB VAL A 155 24.446 -5.884 -13.033 1.00 18.80 C ATOM 919 CG1 VAL A 155 24.974 -4.523 -12.575 1.00 19.01 C ATOM 920 CG2 VAL A 155 25.027 -6.204 -14.392 1.00 18.27 C ATOM 921 H VAL A 155 23.681 -8.346 -13.325 1.00 0.00 H ATOM 922 N LEU A 156 24.846 -6.451 -9.654 1.00 18.65 N ATOM 923 CA LEU A 156 24.301 -6.346 -8.310 1.00 19.85 C ATOM 924 C LEU A 156 24.000 -4.918 -7.863 1.00 20.94 C ATOM 925 O LEU A 156 22.957 -4.697 -7.231 1.00 21.93 O ATOM 926 CB LEU A 156 25.287 -6.987 -7.329 1.00 18.89 C ATOM 927 CG LEU A 156 25.621 -8.465 -7.533 1.00 19.41 C ATOM 928 CD1 LEU A 156 26.886 -8.814 -6.786 1.00 19.47 C ATOM 929 CD2 LEU A 156 24.432 -9.310 -7.177 1.00 20.66 C ATOM 930 H LEU A 156 25.866 -6.314 -9.802 1.00 0.00 H ATOM 931 N ALA A 157 24.882 -3.952 -8.171 1.00 19.80 N ATOM 932 CA ALA A 157 24.740 -2.587 -7.659 1.00 21.02 C ATOM 933 C ALA A 157 25.854 -1.757 -8.271 1.00 20.63 C ATOM 934 O ALA A 157 26.808 -2.303 -8.826 1.00 20.86 O ATOM 935 CB ALA A 157 24.869 -2.540 -6.143 1.00 22.53 C ATOM 936 H ALA A 157 25.687 -4.180 -8.789 1.00 0.00 H ATOM 937 N ARG A 158 25.731 -0.427 -8.146 1.00 22.30 N ATOM 938 CA ARG A 158 26.852 0.466 -8.402 1.00 25.77 C ATOM 939 C ARG A 158 27.840 0.354 -7.252 1.00 23.99 C ATOM 940 O ARG A 158 27.441 0.263 -6.096 1.00 26.29 O ATOM 941 CB ARG A 158 26.359 1.910 -8.526 1.00 40.67 C ATOM 942 CG ARG A 158 27.289 2.858 -9.252 1.00 60.54 C ATOM 943 CD ARG A 158 27.035 2.841 -10.756 1.00 79.52 C ATOM 944 NE ARG A 158 25.979 3.767 -11.167 1.00100.12 N ATOM 945 CZ ARG A 158 26.160 5.068 -11.369 1.00120.59 C ATOM 946 NH1 ARG A 158 27.356 5.610 -11.184 1.00123.57 N ATOM 947 NH2 ARG A 158 25.143 5.831 -11.752 1.00133.81 N ATOM 948 HE ARG A 158 25.024 3.382 -11.310 1.00 0.00 H ATOM 949 HH12 ARG A 158 27.496 6.628 -11.343 1.00 0.00 H ATOM 950 HH11 ARG A 158 28.154 5.017 -10.880 1.00 0.00 H ATOM 951 HH22 ARG A 158 25.287 6.849 -11.909 1.00 0.00 H ATOM 952 HH21 ARG A 158 24.202 5.411 -11.895 1.00 0.00 H ATOM 953 H ARG A 158 24.815 -0.025 -7.860 1.00 0.00 H ATOM 954 N ALA A 159 29.140 0.326 -7.565 1.00 22.79 N ATOM 955 CA ALA A 159 30.134 0.295 -6.490 1.00 28.53 C ATOM 956 C ALA A 159 30.219 1.651 -5.788 1.00 30.39 C ATOM 957 O ALA A 159 30.070 2.696 -6.423 1.00 30.46 O ATOM 958 CB ALA A 159 31.506 -0.080 -7.040 1.00 27.40 C ATOM 959 H ALA A 159 29.442 0.326 -8.560 1.00 0.00 H ATOM 960 N PRO A 160 30.508 1.657 -4.474 1.00 29.42 N ATOM 961 CA PRO A 160 30.367 2.879 -3.673 1.00 35.41 C ATOM 962 C PRO A 160 31.296 4.035 -3.972 1.00 42.50 C ATOM 963 O PRO A 160 30.893 5.198 -3.877 1.00 51.68 O ATOM 964 CB PRO A 160 30.625 2.388 -2.244 1.00 35.67 C ATOM 965 CG PRO A 160 31.132 1.023 -2.324 1.00 35.58 C ATOM 966 CD PRO A 160 30.743 0.456 -3.663 1.00 32.45 C ATOM 967 N VAL A 161 32.555 3.766 -4.228 1.00 44.89 N ATOM 968 CA VAL A 161 33.508 4.868 -4.228 1.00 56.84 C ATOM 969 C VAL A 161 33.932 5.140 -5.654 1.00 56.73 C ATOM 970 O VAL A 161 33.940 6.284 -6.124 1.00 54.64 O ATOM 971 CB VAL A 161 34.732 4.533 -3.369 1.00 75.66 C ATOM 972 CG1 VAL A 161 35.886 5.404 -3.750 1.00 86.32 C ATOM 973 CG2 VAL A 161 34.409 4.681 -1.889 1.00 82.34 C ATOM 974 H VAL A 161 32.864 2.793 -4.425 1.00 0.00 H ATOM 975 N MET A 162 34.387 4.090 -6.306 1.00 66.75 N ATOM 976 CA MET A 162 34.758 4.182 -7.698 1.00 79.52 C ATOM 977 C MET A 162 33.457 4.225 -8.503 1.00 85.61 C ATOM 978 O MET A 162 32.894 3.189 -8.865 1.00 87.13 O ATOM 979 CB MET A 162 35.705 3.021 -8.024 1.00 78.16 C ATOM 980 CG MET A 162 36.906 2.959 -7.047 1.00 63.41 C ATOM 981 SD MET A 162 38.031 1.538 -7.159 1.00 41.03 S ATOM 982 CE MET A 162 38.767 1.750 -8.765 1.00 33.83 C ATOM 983 H MET A 162 34.480 3.181 -5.810 1.00 0.00 H ATOM 984 N ASN A 163 32.965 5.446 -8.748 1.00 92.86 N ATOM 985 CA ASN A 163 31.586 5.660 -9.192 1.00 85.65 C ATOM 986 C ASN A 163 31.231 4.859 -10.446 1.00 72.44 C ATOM 987 O ASN A 163 30.188 4.195 -10.494 1.00 71.94 O ATOM 988 CB ASN A 163 31.356 7.152 -9.443 1.00 87.08 C ATOM 989 H ASN A 163 33.584 6.272 -8.618 1.00 0.00 H ATOM 990 N THR A 164 32.090 4.910 -11.474 1.00 56.70 N ATOM 991 CA THR A 164 31.834 4.331 -12.795 1.00 42.04 C ATOM 992 C THR A 164 31.928 2.799 -12.788 1.00 30.64 C ATOM 993 O THR A 164 31.905 2.119 -13.831 1.00 28.01 O ATOM 994 CB THR A 164 32.820 4.925 -13.806 1.00 51.11 C ATOM 995 OG1 THR A 164 34.055 4.207 -13.774 1.00 48.50 O ATOM 996 CG2 THR A 164 33.126 6.397 -13.483 1.00 65.77 C ATOM 997 HG1 THR A 164 33.890 3.258 -14.002 1.00 0.00 H ATOM 998 H THR A 164 32.999 5.393 -11.324 1.00 0.00 H ATOM 999 N TRP A 165 31.998 2.226 -11.605 1.00 27.38 N ATOM 1000 CA TRP A 165 32.223 0.809 -11.424 1.00 25.64 C ATOM 1001 C TRP A 165 30.972 0.149 -10.855 1.00 20.59 C ATOM 1002 O TRP A 165 30.183 0.775 -10.140 1.00 22.80 O ATOM 1003 CB TRP A 165 33.372 0.589 -10.458 1.00 29.47 C ATOM 1004 CG TRP A 165 34.661 1.059 -10.936 1.00 27.87 C ATOM 1005 CD1 TRP A 165 35.105 2.355 -11.020 1.00 33.82 C ATOM 1006 CD2 TRP A 165 35.715 0.239 -11.388 1.00 23.89 C ATOM 1007 NE1 TRP A 165 36.395 2.375 -11.485 1.00 33.39 N ATOM 1008 CE2 TRP A 165 36.786 1.082 -11.726 1.00 26.97 C ATOM 1009 CE3 TRP A 165 35.858 -1.136 -11.548 1.00 21.97 C ATOM 1010 CZ2 TRP A 165 37.974 0.590 -12.204 1.00 26.16 C ATOM 1011 CZ3 TRP A 165 37.020 -1.598 -11.994 1.00 23.59 C ATOM 1012 CH2 TRP A 165 38.070 -0.757 -12.314 1.00 24.77 C ATOM 1013 HE1 TRP A 165 36.977 3.225 -11.630 1.00 0.00 H ATOM 1014 H TRP A 165 31.886 2.821 -10.760 1.00 0.00 H ATOM 1015 N PHE A 166 30.786 -1.106 -11.202 1.00 18.83 N ATOM 1016 CA PHE A 166 29.634 -1.883 -10.763 1.00 19.22 C ATOM 1017 C PHE A 166 30.077 -3.170 -10.102 1.00 19.91 C ATOM 1018 O PHE A 166 31.079 -3.761 -10.494 1.00 19.38 O ATOM 1019 CB PHE A 166 28.736 -2.251 -11.948 1.00 20.23 C ATOM 1020 CG PHE A 166 28.055 -1.098 -12.584 1.00 23.37 C ATOM 1021 CD1 PHE A 166 28.734 -0.306 -13.487 1.00 24.28 C ATOM 1022 CD2 PHE A 166 26.714 -0.849 -12.346 1.00 27.88 C ATOM 1023 CE1 PHE A 166 28.108 0.763 -14.103 1.00 27.81 C ATOM 1024 CE2 PHE A 166 26.071 0.216 -12.978 1.00 32.34 C ATOM 1025 CZ PHE A 166 26.780 1.017 -13.860 1.00 26.90 C ATOM 1026 H PHE A 166 31.491 -1.563 -11.815 1.00 0.00 H ATOM 1027 N TYR A 167 29.351 -3.560 -9.053 1.00 18.10 N ATOM 1028 CA TYR A 167 29.427 -4.875 -8.443 1.00 17.19 C ATOM 1029 C TYR A 167 28.677 -5.896 -9.287 1.00 17.70 C ATOM 1030 O TYR A 167 27.538 -5.651 -9.704 1.00 17.79 O ATOM 1031 CB TYR A 167 28.787 -4.827 -7.055 1.00 16.83 C ATOM 1032 CG TYR A 167 29.563 -4.152 -5.929 1.00 19.45 C ATOM 1033 CD1 TYR A 167 30.892 -3.868 -6.033 1.00 18.26 C ATOM 1034 CD2 TYR A 167 28.935 -3.877 -4.728 1.00 21.94 C ATOM 1035 CE1 TYR A 167 31.596 -3.257 -4.974 1.00 20.71 C ATOM 1036 CE2 TYR A 167 29.601 -3.300 -3.671 1.00 21.76 C ATOM 1037 CZ TYR A 167 30.936 -3.001 -3.787 1.00 23.50 C ATOM 1038 OH TYR A 167 31.562 -2.428 -2.670 1.00 27.00 O ATOM 1039 HH TYR A 167 31.494 -3.048 -1.901 1.00 0.00 H ATOM 1040 H TYR A 167 28.684 -2.874 -8.644 1.00 0.00 H ATOM 1041 N ILE A 168 29.299 -7.057 -9.491 1.00 15.09 N ATOM 1042 CA ILE A 168 28.738 -8.109 -10.313 1.00 16.07 C ATOM 1043 C ILE A 168 29.240 -9.439 -9.754 1.00 16.98 C ATOM 1044 O ILE A 168 30.304 -9.496 -9.132 1.00 16.17 O ATOM 1045 CB ILE A 168 29.125 -7.872 -11.813 1.00 13.99 C ATOM 1046 CG1 ILE A 168 28.634 -9.031 -12.709 1.00 16.29 C ATOM 1047 CG2 ILE A 168 30.624 -7.694 -11.998 1.00 17.12 C ATOM 1048 CD1 ILE A 168 28.635 -8.603 -14.233 1.00 17.90 C ATOM 1049 H ILE A 168 30.224 -7.214 -9.042 1.00 0.00 H ATOM 1050 N THR A 169 28.467 -10.500 -9.942 1.00 16.73 N ATOM 1051 CA THR A 169 28.930 -11.834 -9.620 1.00 16.71 C ATOM 1052 C THR A 169 28.494 -12.805 -10.702 1.00 17.34 C ATOM 1053 O THR A 169 27.684 -12.472 -11.573 1.00 18.21 O ATOM 1054 CB THR A 169 28.449 -12.272 -8.212 1.00 17.65 C ATOM 1055 OG1 THR A 169 29.145 -13.460 -7.842 1.00 18.13 O ATOM 1056 CG2 THR A 169 26.963 -12.554 -8.210 1.00 17.05 C ATOM 1057 HG1 THR A 169 30.118 -13.279 -7.825 1.00 0.00 H ATOM 1058 H THR A 169 27.510 -10.372 -10.328 1.00 0.00 H ATOM 1059 N TYR A 170 29.052 -14.025 -10.660 1.00 16.36 N ATOM 1060 CA TYR A 170 28.922 -14.972 -11.760 1.00 15.99 C ATOM 1061 C TYR A 170 28.618 -16.368 -11.234 1.00 18.49 C ATOM 1062 O TYR A 170 29.120 -16.763 -10.183 1.00 18.63 O ATOM 1063 CB TYR A 170 30.198 -15.018 -12.580 1.00 17.05 C ATOM 1064 CG TYR A 170 30.619 -13.670 -13.079 1.00 17.18 C ATOM 1065 CD1 TYR A 170 30.129 -13.190 -14.276 1.00 16.82 C ATOM 1066 CD2 TYR A 170 31.552 -12.913 -12.396 1.00 15.82 C ATOM 1067 CE1 TYR A 170 30.503 -11.929 -14.711 1.00 15.55 C ATOM 1068 CE2 TYR A 170 31.948 -11.669 -12.820 1.00 15.47 C ATOM 1069 CZ TYR A 170 31.443 -11.203 -14.040 1.00 16.71 C ATOM 1070 OH TYR A 170 31.861 -9.978 -14.463 1.00 16.59 O ATOM 1071 HH TYR A 170 31.435 -9.767 -15.331 1.00 0.00 H ATOM 1072 H TYR A 170 29.594 -14.303 -9.817 1.00 0.00 H ATOM 1073 N GLU A 171 27.827 -17.123 -11.981 1.00 21.41 N ATOM 1074 CA GLU A 171 27.555 -18.490 -11.578 1.00 20.81 C ATOM 1075 C GLU A 171 28.844 -19.300 -11.466 1.00 20.02 C ATOM 1076 O GLU A 171 28.972 -20.130 -10.551 1.00 24.13 O ATOM 1077 CB GLU A 171 26.594 -19.148 -12.581 1.00 23.16 C ATOM 1078 CG GLU A 171 25.170 -18.624 -12.468 1.00 28.37 C ATOM 1079 CD GLU A 171 24.252 -19.266 -13.493 1.00 33.01 C ATOM 1080 OE1 GLU A 171 24.175 -18.738 -14.620 1.00 31.43 O ATOM 1081 OE2 GLU A 171 23.638 -20.306 -13.166 1.00 38.13 O ATOM 1082 H GLU A 171 27.404 -16.739 -12.850 1.00 0.00 H ATOM 1083 N LYS A 172 29.800 -19.081 -12.383 1.00 19.97 N ATOM 1084 CA LYS A 172 31.047 -19.846 -12.382 1.00 22.30 C ATOM 1085 C LYS A 172 32.006 -19.433 -11.259 1.00 22.90 C ATOM 1086 O LYS A 172 32.989 -20.149 -11.010 1.00 24.41 O ATOM 1087 CB LYS A 172 31.717 -19.689 -13.723 1.00 24.61 C ATOM 1088 CG LYS A 172 31.002 -20.554 -14.776 1.00 34.04 C ATOM 1089 CD LYS A 172 31.746 -20.563 -16.106 1.00 47.87 C ATOM 1090 CE LYS A 172 31.070 -21.505 -17.076 1.00 63.54 C ATOM 1091 NZ LYS A 172 31.921 -21.799 -18.264 1.00 73.59 N ATOM 1092 HZ1 LYS A 172 32.130 -20.913 -18.767 1.00 0.00 H ATOM 1093 HZ2 LYS A 172 32.810 -22.240 -17.952 1.00 0.00 H ATOM 1094 HZ3 LYS A 172 31.415 -22.448 -18.899 1.00 0.00 H ATOM 1095 H LYS A 172 29.651 -18.352 -13.110 1.00 0.00 H ATOM 1096 N ASP A 173 31.746 -18.322 -10.588 1.00 22.00 N ATOM 1097 CA ASP A 173 32.621 -17.873 -9.496 1.00 19.45 C ATOM 1098 C ASP A 173 31.837 -16.875 -8.667 1.00 20.09 C ATOM 1099 O ASP A 173 31.925 -15.658 -8.913 1.00 18.74 O ATOM 1100 CB ASP A 173 33.907 -17.233 -10.038 1.00 19.80 C ATOM 1101 CG ASP A 173 34.983 -17.063 -8.978 1.00 24.20 C ATOM 1102 OD1 ASP A 173 34.857 -17.702 -7.917 1.00 24.31 O ATOM 1103 OD2 ASP A 173 35.963 -16.293 -9.249 1.00 25.03 O ATOM 1104 H ASP A 173 30.909 -17.758 -10.838 1.00 0.00 H ATOM 1105 N PRO A 174 31.012 -17.360 -7.750 1.00 18.44 N ATOM 1106 CA PRO A 174 30.036 -16.519 -7.038 1.00 18.01 C ATOM 1107 C PRO A 174 30.647 -15.770 -5.860 1.00 17.26 C ATOM 1108 O PRO A 174 30.191 -15.864 -4.711 1.00 18.43 O ATOM 1109 CB PRO A 174 28.968 -17.545 -6.625 1.00 22.56 C ATOM 1110 CG PRO A 174 29.724 -18.792 -6.459 1.00 23.56 C ATOM 1111 CD PRO A 174 30.716 -18.794 -7.576 1.00 22.05 C ATOM 1112 N VAL A 175 31.683 -14.994 -6.173 1.00 16.40 N ATOM 1113 CA VAL A 175 32.248 -14.002 -5.272 1.00 15.44 C ATOM 1114 C VAL A 175 32.031 -12.634 -5.893 1.00 16.04 C ATOM 1115 O VAL A 175 31.602 -12.499 -7.054 1.00 15.97 O ATOM 1116 CB VAL A 175 33.742 -14.269 -4.982 1.00 17.61 C ATOM 1117 CG1 VAL A 175 33.907 -15.607 -4.274 1.00 20.20 C ATOM 1118 CG2 VAL A 175 34.615 -14.240 -6.221 1.00 17.18 C ATOM 1119 H VAL A 175 32.112 -15.103 -7.114 1.00 0.00 H ATOM 1120 N LEU A 176 32.359 -11.605 -5.125 1.00 14.88 N ATOM 1121 CA LEU A 176 32.082 -10.247 -5.551 1.00 13.96 C ATOM 1122 C LEU A 176 33.187 -9.743 -6.452 1.00 14.06 C ATOM 1123 O LEU A 176 34.353 -9.761 -6.069 1.00 14.00 O ATOM 1124 CB LEU A 176 31.962 -9.372 -4.317 1.00 14.83 C ATOM 1125 CG LEU A 176 31.513 -7.933 -4.540 1.00 18.17 C ATOM 1126 CD1 LEU A 176 30.157 -7.866 -5.274 1.00 18.73 C ATOM 1127 CD2 LEU A 176 31.452 -7.177 -3.214 1.00 16.51 C ATOM 1128 H LEU A 176 32.820 -11.773 -4.208 1.00 0.00 H ATOM 1129 N TYR A 177 32.825 -9.313 -7.657 1.00 13.82 N ATOM 1130 CA TYR A 177 33.691 -8.650 -8.615 1.00 13.88 C ATOM 1131 C TYR A 177 33.258 -7.203 -8.832 1.00 14.16 C ATOM 1132 O TYR A 177 32.124 -6.826 -8.516 1.00 14.52 O ATOM 1133 CB TYR A 177 33.605 -9.386 -9.954 1.00 15.14 C ATOM 1134 CG TYR A 177 34.337 -10.710 -10.064 1.00 14.90 C ATOM 1135 CD1 TYR A 177 33.787 -11.906 -9.617 1.00 14.41 C ATOM 1136 CD2 TYR A 177 35.578 -10.753 -10.675 1.00 18.32 C ATOM 1137 CE1 TYR A 177 34.499 -13.111 -9.757 1.00 16.26 C ATOM 1138 CE2 TYR A 177 36.284 -11.962 -10.831 1.00 17.77 C ATOM 1139 CZ TYR A 177 35.736 -13.124 -10.368 1.00 18.17 C ATOM 1140 OH TYR A 177 36.522 -14.246 -10.560 1.00 22.13 O ATOM 1141 HH TYR A 177 36.055 -15.041 -10.199 1.00 0.00 H ATOM 1142 H TYR A 177 31.835 -9.465 -7.938 1.00 0.00 H ATOM 1143 N MET A 178 34.150 -6.435 -9.457 1.00 16.04 N ATOM 1144 CA MET A 178 33.930 -5.027 -9.740 1.00 16.47 C ATOM 1145 C MET A 178 34.501 -4.743 -11.121 1.00 16.56 C ATOM 1146 O MET A 178 35.686 -4.992 -11.334 1.00 17.96 O ATOM 1147 CB MET A 178 34.627 -4.184 -8.675 1.00 22.47 C ATOM 1148 CG MET A 178 34.234 -2.894 -8.540 1.00 26.52 C ATOM 1149 SD MET A 178 35.092 -2.394 -6.985 1.00 24.26 S ATOM 1150 CE MET A 178 35.287 -0.785 -7.532 1.00 28.49 C ATOM 1151 H MET A 178 35.048 -6.865 -9.757 1.00 0.00 H ATOM 1152 N TYR A 179 33.684 -4.175 -12.005 1.00 15.11 N ATOM 1153 CA TYR A 179 34.102 -3.830 -13.362 1.00 15.88 C ATOM 1154 C TYR A 179 33.429 -2.538 -13.817 1.00 18.04 C ATOM 1155 O TYR A 179 32.329 -2.213 -13.370 1.00 18.45 O ATOM 1156 CB TYR A 179 33.738 -4.951 -14.374 1.00 18.15 C ATOM 1157 CG TYR A 179 34.561 -6.226 -14.295 1.00 16.13 C ATOM 1158 CD1 TYR A 179 35.887 -6.246 -14.737 1.00 16.53 C ATOM 1159 CD2 TYR A 179 34.016 -7.406 -13.769 1.00 16.66 C ATOM 1160 CE1 TYR A 179 36.631 -7.412 -14.645 1.00 16.26 C ATOM 1161 CE2 TYR A 179 34.731 -8.566 -13.741 1.00 14.13 C ATOM 1162 CZ TYR A 179 36.042 -8.571 -14.159 1.00 15.06 C ATOM 1163 OH TYR A 179 36.753 -9.733 -14.077 1.00 17.01 O ATOM 1164 HH TYR A 179 37.672 -9.580 -14.412 1.00 0.00 H ATOM 1165 H TYR A 179 32.706 -3.968 -11.718 1.00 0.00 H ATOM 1166 N GLN A 180 34.040 -1.901 -14.836 1.00 18.86 N ATOM 1167 CA GLN A 180 33.495 -0.700 -15.470 1.00 20.28 C ATOM 1168 C GLN A 180 32.569 -1.168 -16.589 1.00 18.07 C ATOM 1169 O GLN A 180 32.904 -1.163 -17.796 1.00 19.44 O ATOM 1170 CB GLN A 180 34.611 0.197 -15.982 1.00 22.94 C ATOM 1171 CG GLN A 180 35.411 0.812 -14.878 1.00 24.99 C ATOM 1172 CD GLN A 180 36.453 1.771 -15.402 1.00 31.59 C ATOM 1173 OE1 GLN A 180 37.424 1.370 -16.037 1.00 35.82 O ATOM 1174 NE2 GLN A 180 36.235 3.047 -15.161 1.00 32.39 N ATOM 1175 HE22 GLN A 180 35.397 3.338 -14.618 1.00 0.00 H ATOM 1176 HE21 GLN A 180 36.901 3.764 -15.514 1.00 0.00 H ATOM 1177 H GLN A 180 34.942 -2.281 -15.188 1.00 0.00 H ATOM 1178 N LEU A 181 31.376 -1.630 -16.175 1.00 17.96 N ATOM 1179 CA LEU A 181 30.515 -2.377 -17.095 1.00 18.03 C ATOM 1180 C LEU A 181 29.951 -1.508 -18.208 1.00 21.49 C ATOM 1181 O LEU A 181 29.554 -2.036 -19.256 1.00 21.42 O ATOM 1182 CB LEU A 181 29.360 -3.007 -16.362 1.00 20.64 C ATOM 1183 CG LEU A 181 29.703 -4.101 -15.358 1.00 20.18 C ATOM 1184 CD1 LEU A 181 28.396 -4.541 -14.770 1.00 21.18 C ATOM 1185 CD2 LEU A 181 30.425 -5.260 -16.031 1.00 20.27 C ATOM 1186 H LEU A 181 31.064 -1.456 -15.198 1.00 0.00 H ATOM 1187 N LEU A 182 29.825 -0.199 -17.996 1.00 21.61 N ATOM 1188 CA LEU A 182 29.305 0.631 -19.074 1.00 26.66 C ATOM 1189 C LEU A 182 30.330 0.743 -20.196 1.00 23.73 C ATOM 1190 O LEU A 182 29.973 0.755 -21.378 1.00 23.81 O ATOM 1191 CB LEU A 182 28.928 2.015 -18.551 1.00 41.00 C ATOM 1192 CG LEU A 182 28.366 2.957 -19.619 1.00 53.67 C ATOM 1193 CD1 LEU A 182 27.065 2.408 -20.192 1.00 54.38 C ATOM 1194 CD2 LEU A 182 28.166 4.364 -19.067 1.00 57.51 C ATOM 1195 H LEU A 182 30.092 0.220 -17.082 1.00 0.00 H ATOM 1196 N ASP A 183 31.618 0.789 -19.849 1.00 22.51 N ATOM 1197 CA ASP A 183 32.650 0.720 -20.877 1.00 22.98 C ATOM 1198 C ASP A 183 32.568 -0.613 -21.614 1.00 19.81 C ATOM 1199 O ASP A 183 32.620 -0.650 -22.860 1.00 21.00 O ATOM 1200 CB ASP A 183 34.030 0.907 -20.260 1.00 30.66 C ATOM 1201 CG ASP A 183 34.371 2.363 -19.995 1.00 54.06 C ATOM 1202 OD1 ASP A 183 33.594 3.257 -20.392 1.00 60.45 O ATOM 1203 OD2 ASP A 183 35.436 2.611 -19.388 1.00 67.12 O ATOM 1204 H ASP A 183 31.885 0.874 -18.847 1.00 0.00 H ATOM 1205 N ASP A 184 32.506 -1.725 -20.852 1.00 18.43 N ATOM 1206 CA ASP A 184 32.420 -3.037 -21.480 1.00 20.48 C ATOM 1207 C ASP A 184 31.196 -3.127 -22.394 1.00 22.49 C ATOM 1208 O ASP A 184 31.262 -3.714 -23.477 1.00 23.32 O ATOM 1209 CB ASP A 184 32.397 -4.145 -20.414 1.00 19.37 C ATOM 1210 CG ASP A 184 33.736 -4.358 -19.774 1.00 22.62 C ATOM 1211 OD1 ASP A 184 34.704 -3.639 -20.143 1.00 25.43 O ATOM 1212 OD2 ASP A 184 33.824 -5.245 -18.883 1.00 22.87 O ATOM 1213 H ASP A 184 32.520 -1.645 -19.815 1.00 0.00 H ATOM 1214 N TYR A 185 30.075 -2.539 -21.981 1.00 19.07 N ATOM 1215 CA TYR A 185 28.863 -2.565 -22.804 1.00 20.13 C ATOM 1216 C TYR A 185 29.079 -1.817 -24.125 1.00 21.27 C ATOM 1217 O TYR A 185 28.734 -2.309 -25.220 1.00 21.93 O ATOM 1218 CB TYR A 185 27.691 -1.963 -22.021 1.00 20.87 C ATOM 1219 CG TYR A 185 26.432 -1.878 -22.844 1.00 22.57 C ATOM 1220 CD1 TYR A 185 25.604 -2.972 -22.984 1.00 25.60 C ATOM 1221 CD2 TYR A 185 26.079 -0.708 -23.475 1.00 25.78 C ATOM 1222 CE1 TYR A 185 24.464 -2.912 -23.731 1.00 29.31 C ATOM 1223 CE2 TYR A 185 24.944 -0.636 -24.254 1.00 33.23 C ATOM 1224 CZ TYR A 185 24.131 -1.745 -24.365 1.00 34.52 C ATOM 1225 OH TYR A 185 22.985 -1.706 -25.111 1.00 38.02 O ATOM 1226 HH TYR A 185 22.537 -2.588 -25.072 1.00 0.00 H ATOM 1227 H TYR A 185 30.059 -2.054 -21.061 1.00 0.00 H ATOM 1228 N LYS A 186 29.674 -0.624 -24.062 1.00 21.58 N ATOM 1229 CA LYS A 186 29.920 0.149 -25.277 1.00 23.85 C ATOM 1230 C LYS A 186 30.859 -0.570 -26.208 1.00 23.45 C ATOM 1231 O LYS A 186 30.813 -0.336 -27.428 1.00 24.60 O ATOM 1232 CB LYS A 186 30.501 1.523 -24.916 1.00 27.82 C ATOM 1233 CG LYS A 186 29.502 2.414 -24.163 1.00 37.70 C ATOM 1234 CD LYS A 186 30.126 3.715 -23.708 1.00 54.91 C ATOM 1235 CE LYS A 186 29.074 4.681 -23.186 1.00 75.11 C ATOM 1236 NZ LYS A 186 29.673 5.963 -22.729 1.00 88.07 N ATOM 1237 HZ1 LYS A 186 30.350 5.774 -21.963 1.00 0.00 H ATOM 1238 HZ2 LYS A 186 30.166 6.417 -23.524 1.00 0.00 H ATOM 1239 HZ3 LYS A 186 28.921 6.591 -22.381 1.00 0.00 H ATOM 1240 H LYS A 186 29.965 -0.241 -23.140 1.00 0.00 H ATOM 1241 N GLU A 187 31.742 -1.395 -25.673 1.00 21.36 N ATOM 1242 CA GLU A 187 32.684 -2.144 -26.501 1.00 25.09 C ATOM 1243 C GLU A 187 32.122 -3.448 -27.025 1.00 23.81 C ATOM 1244 O GLU A 187 32.851 -4.169 -27.714 1.00 25.39 O ATOM 1245 CB GLU A 187 33.948 -2.460 -25.706 1.00 26.97 C ATOM 1246 CG GLU A 187 34.732 -1.254 -25.277 1.00 34.75 C ATOM 1247 CD GLU A 187 35.379 -0.540 -26.466 1.00 45.85 C ATOM 1248 OE1 GLU A 187 35.677 -1.211 -27.473 1.00 45.52 O ATOM 1249 OE2 GLU A 187 35.573 0.686 -26.389 1.00 49.34 O ATOM 1250 H GLU A 187 31.767 -1.514 -24.640 1.00 0.00 H ATOM 1251 N GLY A 188 30.868 -3.779 -26.717 1.00 23.00 N ATOM 1252 CA GLY A 188 30.232 -4.980 -27.217 1.00 23.42 C ATOM 1253 C GLY A 188 30.528 -6.224 -26.430 1.00 23.30 C ATOM 1254 O GLY A 188 30.285 -7.336 -26.926 1.00 26.42 O ATOM 1255 H GLY A 188 30.325 -3.149 -26.093 1.00 0.00 H ATOM 1256 N ASP A 189 31.027 -6.074 -25.206 1.00 20.44 N ATOM 1257 CA ASP A 189 31.407 -7.211 -24.381 1.00 19.13 C ATOM 1258 C ASP A 189 30.410 -7.503 -23.258 1.00 19.18 C ATOM 1259 O ASP A 189 30.720 -8.285 -22.361 1.00 21.98 O ATOM 1260 CB ASP A 189 32.793 -6.954 -23.791 1.00 24.11 C ATOM 1261 CG ASP A 189 33.887 -6.965 -24.840 1.00 30.24 C ATOM 1262 OD1 ASP A 189 33.717 -7.688 -25.828 1.00 32.20 O ATOM 1263 OD2 ASP A 189 34.901 -6.238 -24.687 1.00 35.15 O ATOM 1264 H ASP A 189 31.149 -5.113 -24.827 1.00 0.00 H ATOM 1265 N LEU A 190 29.211 -6.924 -23.297 1.00 20.57 N ATOM 1266 CA LEU A 190 28.250 -7.171 -22.225 1.00 21.72 C ATOM 1267 C LEU A 190 26.887 -7.260 -22.864 1.00 23.40 C ATOM 1268 O LEU A 190 26.404 -6.265 -23.413 1.00 27.32 O ATOM 1269 CB LEU A 190 28.289 -6.058 -21.184 1.00 21.82 C ATOM 1270 CG LEU A 190 27.412 -6.339 -19.967 1.00 21.80 C ATOM 1271 CD1 LEU A 190 28.096 -7.401 -19.133 1.00 21.91 C ATOM 1272 CD2 LEU A 190 27.260 -5.037 -19.140 1.00 24.17 C ATOM 1273 H LEU A 190 28.960 -6.298 -24.088 1.00 0.00 H ATOM 1274 N ARG A 191 26.287 -8.439 -22.836 1.00 22.52 N ATOM 1275 CA ARG A 191 24.931 -8.607 -23.308 1.00 24.77 C ATOM 1276 C ARG A 191 23.969 -8.608 -22.129 1.00 27.40 C ATOM 1277 O ARG A 191 24.153 -9.363 -21.178 1.00 28.59 O ATOM 1278 CB ARG A 191 24.793 -9.903 -24.121 1.00 36.54 C ATOM 1279 CG ARG A 191 25.507 -9.865 -25.487 1.00 55.43 C ATOM 1280 CD ARG A 191 26.303 -11.142 -25.789 1.00 65.77 C ATOM 1281 H ARG A 191 26.802 -9.263 -22.466 1.00 0.00 H ATOM 1282 N ILE A 192 22.932 -7.782 -22.214 1.00 29.64 N ATOM 1283 CA ILE A 192 21.942 -7.646 -21.151 1.00 32.46 C ATOM 1284 C ILE A 192 20.727 -8.474 -21.542 1.00 33.37 C ATOM 1285 O ILE A 192 20.194 -8.320 -22.646 1.00 35.31 O ATOM 1286 CB ILE A 192 21.583 -6.167 -20.917 1.00 38.79 C ATOM 1287 CG1 ILE A 192 22.853 -5.395 -20.518 1.00 43.23 C ATOM 1288 CG2 ILE A 192 20.491 -6.027 -19.840 1.00 38.60 C ATOM 1289 CD1 ILE A 192 22.673 -3.912 -20.448 1.00 49.18 C ATOM 1290 H ILE A 192 22.821 -7.208 -23.074 1.00 0.00 H ATOM 1291 N MET A 193 20.315 -9.362 -20.659 1.00 36.33 N ATOM 1292 CA MET A 193 19.184 -10.256 -20.902 1.00 47.14 C ATOM 1293 C MET A 193 17.876 -9.602 -20.471 1.00 62.33 C ATOM 1294 O MET A 193 17.871 -8.593 -19.765 1.00 62.09 O ATOM 1295 CB MET A 193 19.379 -11.555 -20.128 1.00 49.40 C ATOM 1296 CG MET A 193 20.777 -12.150 -20.142 1.00 49.46 C ATOM 1297 SD MET A 193 21.095 -13.190 -21.563 1.00 51.24 S ATOM 1298 CE MET A 193 22.350 -14.251 -20.890 1.00 45.91 C ATOM 1299 H MET A 193 20.816 -9.429 -19.750 1.00 0.00 H ATOM 1300 N PRO A 194 16.717 -10.175 -20.872 1.00 83.76 N ATOM 1301 CA PRO A 194 15.374 -9.835 -20.382 1.00 88.80 C ATOM 1302 C PRO A 194 15.285 -9.077 -19.062 1.00 81.51 C ATOM 1303 O PRO A 194 14.160 -8.812 -18.632 1.00 77.34 O ATOM 1304 CB PRO A 194 14.737 -11.219 -20.226 1.00 95.10 C ATOM 1305 CG PRO A 194 15.473 -12.103 -21.263 1.00 95.91 C ATOM 1306 CD PRO A 194 16.595 -11.265 -21.853 1.00 92.60 C TER 1307 PRO A 194 ATOM 1308 N SER A 212 15.632 -8.640 7.088 1.00 64.36 N ATOM 1309 CA SER A 212 16.975 -8.778 6.530 1.00 58.67 C ATOM 1310 C SER A 212 17.901 -9.511 7.511 1.00 46.48 C ATOM 1311 O SER A 212 17.864 -9.272 8.708 1.00 40.62 O ATOM 1312 CB SER A 212 17.545 -7.398 6.187 1.00 60.68 C ATOM 1313 OG SER A 212 18.935 -7.461 5.927 1.00 58.76 O ATOM 1314 HG SER A 212 19.270 -6.555 5.709 1.00 0.00 H ATOM 1315 HN3 SER A 212 15.680 -8.097 7.974 1.00 0.00 H ATOM 1316 HN2 SER A 212 15.239 -9.584 7.279 1.00 0.00 H ATOM 1317 HN1 SER A 212 15.024 -8.142 6.407 1.00 0.00 H ATOM 1318 N LEU A 213 18.743 -10.385 6.975 1.00 35.84 N ATOM 1319 CA LEU A 213 19.662 -11.195 7.766 1.00 30.84 C ATOM 1320 C LEU A 213 21.001 -10.506 8.029 1.00 28.86 C ATOM 1321 O LEU A 213 21.928 -11.147 8.529 1.00 24.30 O ATOM 1322 CB LEU A 213 19.923 -12.492 7.003 1.00 25.32 C ATOM 1323 CG LEU A 213 18.689 -13.362 6.731 1.00 35.14 C ATOM 1324 CD1 LEU A 213 19.101 -14.485 5.792 1.00 35.68 C ATOM 1325 CD2 LEU A 213 18.136 -13.895 8.029 1.00 41.74 C ATOM 1326 H LEU A 213 18.748 -10.498 5.941 1.00 0.00 H ATOM 1327 N VAL A 214 21.160 -9.252 7.611 1.00 24.42 N ATOM 1328 CA VAL A 214 22.460 -8.591 7.723 1.00 21.40 C ATOM 1329 C VAL A 214 22.846 -8.500 9.191 1.00 22.26 C ATOM 1330 O VAL A 214 22.053 -8.076 10.037 1.00 23.82 O ATOM 1331 CB VAL A 214 22.409 -7.212 7.059 1.00 22.87 C ATOM 1332 CG1 VAL A 214 23.721 -6.450 7.228 1.00 25.03 C ATOM 1333 CG2 VAL A 214 22.104 -7.357 5.604 1.00 24.23 C ATOM 1334 H VAL A 214 20.354 -8.738 7.202 1.00 0.00 H ATOM 1335 N GLY A 215 24.078 -8.898 9.485 1.00 22.17 N ATOM 1336 CA GLY A 215 24.607 -8.918 10.820 1.00 22.10 C ATOM 1337 C GLY A 215 24.511 -10.262 11.489 1.00 24.14 C ATOM 1338 O GLY A 215 25.128 -10.442 12.545 1.00 26.01 O ATOM 1339 H GLY A 215 24.693 -9.212 8.707 1.00 0.00 H ATOM 1340 N LYS A 216 23.786 -11.209 10.893 1.00 25.11 N ATOM 1341 CA LYS A 216 23.659 -12.526 11.499 1.00 24.11 C ATOM 1342 C LYS A 216 24.912 -13.360 11.216 1.00 21.17 C ATOM 1343 O LYS A 216 25.601 -13.164 10.211 1.00 22.75 O ATOM 1344 CB LYS A 216 22.410 -13.258 10.970 1.00 28.77 C ATOM 1345 CG LYS A 216 21.082 -12.521 11.294 1.00 40.67 C ATOM 1346 CD LYS A 216 20.156 -13.284 12.231 1.00 58.68 C ATOM 1347 CE LYS A 216 18.863 -12.504 12.519 1.00 72.93 C ATOM 1348 NZ LYS A 216 19.100 -11.155 13.110 1.00 80.10 N ATOM 1349 HZ1 LYS A 216 19.610 -11.257 14.011 1.00 0.00 H ATOM 1350 HZ2 LYS A 216 19.668 -10.584 12.452 1.00 0.00 H ATOM 1351 HZ3 LYS A 216 18.187 -10.686 13.278 1.00 0.00 H ATOM 1352 H LYS A 216 23.309 -11.006 9.991 1.00 0.00 H ATOM 1353 N GLN A 217 25.202 -14.272 12.130 1.00 20.26 N ATOM 1354 CA GLN A 217 26.245 -15.252 11.919 1.00 20.37 C ATOM 1355 C GLN A 217 25.747 -16.324 10.974 1.00 19.61 C ATOM 1356 O GLN A 217 24.552 -16.606 10.899 1.00 20.79 O ATOM 1357 CB GLN A 217 26.655 -15.903 13.228 1.00 24.27 C ATOM 1358 CG GLN A 217 27.417 -15.006 14.159 1.00 30.19 C ATOM 1359 CD GLN A 217 27.485 -15.606 15.537 1.00 34.24 C ATOM 1360 OE1 GLN A 217 26.801 -15.164 16.444 1.00 35.08 O ATOM 1361 NE2 GLN A 217 28.262 -16.671 15.678 1.00 38.85 N ATOM 1362 HE22 GLN A 217 28.828 -17.012 14.875 1.00 0.00 H ATOM 1363 HE21 GLN A 217 28.305 -17.166 16.592 1.00 0.00 H ATOM 1364 H GLN A 217 24.667 -14.285 13.022 1.00 0.00 H ATOM 1365 N VAL A 218 26.666 -16.885 10.202 1.00 19.41 N ATOM 1366 CA VAL A 218 26.322 -17.943 9.265 1.00 19.76 C ATOM 1367 C VAL A 218 27.302 -19.079 9.463 1.00 21.96 C ATOM 1368 O VAL A 218 28.443 -18.861 9.865 1.00 24.67 O ATOM 1369 CB VAL A 218 26.335 -17.396 7.800 1.00 23.13 C ATOM 1370 CG1 VAL A 218 27.655 -16.854 7.392 1.00 26.92 C ATOM 1371 CG2 VAL A 218 25.954 -18.493 6.793 1.00 26.20 C ATOM 1372 H VAL A 218 27.653 -16.563 10.267 1.00 0.00 H ATOM 1373 N GLU A 219 26.839 -20.314 9.263 1.00 24.51 N ATOM 1374 CA GLU A 219 27.748 -21.438 9.113 1.00 28.70 C ATOM 1375 C GLU A 219 27.257 -22.359 8.003 1.00 27.62 C ATOM 1376 O GLU A 219 26.049 -22.462 7.749 1.00 25.00 O ATOM 1377 CB GLU A 219 27.907 -22.217 10.432 1.00 40.84 C ATOM 1378 CG GLU A 219 26.672 -22.878 10.884 1.00 45.45 C ATOM 1379 CD GLU A 219 26.459 -24.227 10.222 1.00 62.51 C ATOM 1380 OE1 GLU A 219 25.303 -24.555 9.892 1.00 72.41 O ATOM 1381 OE2 GLU A 219 27.444 -24.959 10.014 1.00 63.62 O ATOM 1382 H GLU A 219 25.813 -20.475 9.214 1.00 0.00 H ATOM 1383 N TYR A 220 28.188 -23.066 7.352 1.00 28.07 N ATOM 1384 CA TYR A 220 27.772 -24.291 6.663 1.00 33.27 C ATOM 1385 C TYR A 220 28.744 -25.421 6.918 1.00 32.50 C ATOM 1386 O TYR A 220 29.862 -25.209 7.360 1.00 29.91 O ATOM 1387 CB TYR A 220 27.586 -24.101 5.148 1.00 44.32 C ATOM 1388 CG TYR A 220 28.843 -23.891 4.318 1.00 50.92 C ATOM 1389 CD1 TYR A 220 29.619 -24.968 3.900 1.00 54.51 C ATOM 1390 CD2 TYR A 220 29.216 -22.624 3.925 1.00 60.17 C ATOM 1391 CE1 TYR A 220 30.744 -24.779 3.129 1.00 66.15 C ATOM 1392 CE2 TYR A 220 30.339 -22.420 3.148 1.00 69.60 C ATOM 1393 CZ TYR A 220 31.102 -23.497 2.750 1.00 72.18 C ATOM 1394 OH TYR A 220 32.222 -23.279 1.976 1.00 73.37 O ATOM 1395 HH TYR A 220 32.657 -24.145 1.776 1.00 0.00 H ATOM 1396 H TYR A 220 29.180 -22.755 7.335 1.00 0.00 H ATOM 1397 N ALA A 221 28.285 -26.648 6.647 1.00 36.72 N ATOM 1398 CA ALA A 221 29.104 -27.847 6.845 1.00 50.19 C ATOM 1399 C ALA A 221 30.055 -28.082 5.666 1.00 66.51 C ATOM 1400 O ALA A 221 29.613 -28.193 4.517 1.00 66.18 O ATOM 1401 CB ALA A 221 28.203 -29.067 7.032 1.00 55.01 C ATOM 1402 H ALA A 221 27.316 -26.754 6.284 1.00 0.00 H ATOM 1403 N LYS A 222 31.355 -28.199 5.953 1.00 87.28 N ATOM 1404 CA LYS A 222 32.348 -28.517 4.918 1.00 91.45 C ATOM 1405 C LYS A 222 32.216 -29.960 4.431 1.00 96.95 C ATOM 1406 O LYS A 222 32.540 -30.904 5.152 1.00100.30 O ATOM 1407 CB LYS A 222 33.769 -28.278 5.436 1.00 84.90 C ATOM 1408 CG LYS A 222 34.178 -26.813 5.472 1.00 74.38 C ATOM 1409 H LYS A 222 31.672 -28.061 6.934 1.00 0.00 H TER 1410 LYS A 222 ATOM 1411 N LYS A 227 33.120 -27.221 9.737 1.00 38.49 N ATOM 1412 CA LYS A 227 32.233 -26.078 9.928 1.00 42.91 C ATOM 1413 C LYS A 227 32.891 -24.768 9.480 1.00 38.46 C ATOM 1414 O LYS A 227 33.819 -24.303 10.151 1.00 42.69 O ATOM 1415 CB LYS A 227 31.827 -25.981 11.408 1.00 56.65 C ATOM 1416 CG LYS A 227 30.772 -24.933 11.706 1.00 65.19 C ATOM 1417 CD LYS A 227 30.495 -24.813 13.197 1.00 69.56 C ATOM 1418 CE LYS A 227 29.430 -23.761 13.476 1.00 71.02 C ATOM 1419 NZ LYS A 227 29.208 -23.575 14.941 1.00 73.52 N ATOM 1420 HZ1 LYS A 227 28.898 -24.475 15.360 1.00 0.00 H ATOM 1421 HZ2 LYS A 227 30.096 -23.270 15.389 1.00 0.00 H ATOM 1422 HZ3 LYS A 227 28.476 -22.851 15.090 1.00 0.00 H ATOM 1423 HN3 LYS A 227 33.987 -27.082 10.294 1.00 0.00 H ATOM 1424 HN2 LYS A 227 33.364 -27.305 8.729 1.00 0.00 H ATOM 1425 HN1 LYS A 227 32.639 -28.088 10.052 1.00 0.00 H ATOM 1426 N ARG A 228 32.430 -24.175 8.362 1.00 31.27 N ATOM 1427 CA ARG A 228 32.884 -22.850 7.947 1.00 30.01 C ATOM 1428 C ARG A 228 31.978 -21.778 8.555 1.00 27.74 C ATOM 1429 O ARG A 228 30.758 -21.859 8.436 1.00 28.77 O ATOM 1430 CB ARG A 228 32.892 -22.765 6.420 1.00 32.77 C ATOM 1431 CG ARG A 228 33.616 -21.628 5.883 1.00 31.68 C ATOM 1432 CD ARG A 228 33.717 -21.719 4.354 1.00 35.01 C ATOM 1433 NE ARG A 228 34.770 -20.834 3.885 1.00 33.45 N ATOM 1434 CZ ARG A 228 34.917 -20.440 2.626 1.00 35.86 C ATOM 1435 NH1 ARG A 228 34.077 -20.857 1.675 1.00 36.29 N ATOM 1436 NH2 ARG A 228 35.918 -19.626 2.334 1.00 35.84 N ATOM 1437 HE ARG A 228 35.456 -20.485 4.584 1.00 0.00 H ATOM 1438 HH12 ARG A 228 34.205 -20.540 0.693 1.00 0.00 H ATOM 1439 HH11 ARG A 228 33.295 -21.499 1.917 1.00 0.00 H ATOM 1440 HH22 ARG A 228 36.056 -19.302 1.356 1.00 0.00 H ATOM 1441 HH21 ARG A 228 36.567 -19.310 3.083 1.00 0.00 H ATOM 1442 H ARG A 228 31.730 -24.675 7.777 1.00 0.00 H ATOM 1443 N THR A 229 32.564 -20.763 9.211 1.00 24.13 N ATOM 1444 CA THR A 229 31.769 -19.755 9.902 1.00 21.47 C ATOM 1445 C THR A 229 31.996 -18.370 9.312 1.00 22.01 C ATOM 1446 O THR A 229 33.080 -18.054 8.802 1.00 24.09 O ATOM 1447 CB THR A 229 32.111 -19.693 11.381 1.00 25.21 C ATOM 1448 OG1 THR A 229 33.519 -19.547 11.517 1.00 28.48 O ATOM 1449 CG2 THR A 229 31.694 -20.964 12.061 1.00 24.78 C ATOM 1450 HG1 THR A 229 33.808 -18.713 11.069 1.00 0.00 H ATOM 1451 H THR A 229 33.602 -20.695 9.226 1.00 0.00 H ATOM 1452 N GLY A 230 30.978 -17.533 9.407 1.00 20.44 N ATOM 1453 CA GLY A 230 31.091 -16.181 8.883 1.00 19.08 C ATOM 1454 C GLY A 230 29.954 -15.273 9.304 1.00 19.74 C ATOM 1455 O GLY A 230 29.255 -15.539 10.278 1.00 19.83 O ATOM 1456 H GLY A 230 30.093 -17.842 9.858 1.00 0.00 H ATOM 1457 N MET A 231 29.814 -14.147 8.594 1.00 17.26 N ATOM 1458 CA MET A 231 28.806 -13.131 8.907 1.00 18.96 C ATOM 1459 C MET A 231 28.174 -12.631 7.618 1.00 17.76 C ATOM 1460 O MET A 231 28.843 -12.471 6.587 1.00 18.38 O ATOM 1461 CB MET A 231 29.391 -11.924 9.696 1.00 22.54 C ATOM 1462 CG MET A 231 28.376 -10.887 10.081 1.00 32.62 C ATOM 1463 SD MET A 231 29.204 -9.553 11.005 1.00 39.52 S ATOM 1464 CE MET A 231 29.875 -10.428 12.415 1.00 57.06 C ATOM 1465 H MET A 231 30.448 -13.986 7.785 1.00 0.00 H ATOM 1466 N VAL A 232 26.881 -12.344 7.678 1.00 17.57 N ATOM 1467 CA VAL A 232 26.175 -11.706 6.574 1.00 15.81 C ATOM 1468 C VAL A 232 26.459 -10.208 6.677 1.00 17.23 C ATOM 1469 O VAL A 232 26.133 -9.582 7.684 1.00 19.01 O ATOM 1470 CB VAL A 232 24.661 -11.975 6.642 1.00 17.86 C ATOM 1471 CG1 VAL A 232 24.007 -11.304 5.488 1.00 19.21 C ATOM 1472 CG2 VAL A 232 24.336 -13.473 6.641 1.00 17.07 C ATOM 1473 H VAL A 232 26.353 -12.582 8.542 1.00 0.00 H ATOM 1474 N ILE A 233 27.095 -9.626 5.654 1.00 17.12 N ATOM 1475 CA ILE A 233 27.519 -8.231 5.724 1.00 15.86 C ATOM 1476 C ILE A 233 26.697 -7.253 4.874 1.00 18.29 C ATOM 1477 O ILE A 233 26.752 -6.042 5.142 1.00 20.12 O ATOM 1478 CB ILE A 233 29.011 -8.089 5.380 1.00 16.56 C ATOM 1479 CG1 ILE A 233 29.363 -8.461 3.951 1.00 18.99 C ATOM 1480 CG2 ILE A 233 29.844 -8.866 6.417 1.00 17.43 C ATOM 1481 CD1 ILE A 233 30.801 -8.009 3.521 1.00 22.02 C ATOM 1482 H ILE A 233 27.291 -10.177 4.794 1.00 0.00 H ATOM 1483 N HIS A 234 25.977 -7.706 3.850 1.00 18.36 N ATOM 1484 CA HIS A 234 25.168 -6.782 3.057 1.00 19.06 C ATOM 1485 C HIS A 234 24.022 -7.555 2.407 1.00 19.16 C ATOM 1486 O HIS A 234 24.148 -8.748 2.096 1.00 19.27 O ATOM 1487 CB HIS A 234 25.985 -6.055 1.960 1.00 19.20 C ATOM 1488 CG HIS A 234 26.832 -4.906 2.460 1.00 20.22 C ATOM 1489 ND1 HIS A 234 26.319 -3.853 3.189 1.00 22.06 N ATOM 1490 CD2 HIS A 234 28.153 -4.643 2.310 1.00 22.67 C ATOM 1491 CE1 HIS A 234 27.283 -3.002 3.480 1.00 22.08 C ATOM 1492 NE2 HIS A 234 28.410 -3.456 2.959 1.00 23.21 N ATOM 1493 H HIS A 234 25.990 -8.719 3.614 1.00 0.00 H ATOM 1494 N GLN A 235 22.907 -6.850 2.189 1.00 21.34 N ATOM 1495 CA GLN A 235 21.774 -7.326 1.404 1.00 24.50 C ATOM 1496 C GLN A 235 21.709 -6.537 0.096 1.00 23.54 C ATOM 1497 O GLN A 235 21.881 -5.318 0.087 1.00 26.89 O ATOM 1498 CB GLN A 235 20.473 -7.156 2.174 1.00 25.34 C ATOM 1499 CG GLN A 235 19.254 -7.726 1.456 1.00 27.77 C ATOM 1500 CD GLN A 235 17.962 -7.452 2.195 1.00 32.70 C ATOM 1501 OE1 GLN A 235 17.753 -6.366 2.719 1.00 38.21 O ATOM 1502 NE2 GLN A 235 17.076 -8.450 2.225 1.00 33.27 N ATOM 1503 HE22 GLN A 235 17.298 -9.356 1.765 1.00 0.00 H ATOM 1504 HE21 GLN A 235 16.164 -8.321 2.708 1.00 0.00 H ATOM 1505 H GLN A 235 22.844 -5.900 2.607 1.00 0.00 H ATOM 1506 N VAL A 236 21.473 -7.222 -1.017 1.00 22.31 N ATOM 1507 CA VAL A 236 21.421 -6.554 -2.316 1.00 23.83 C ATOM 1508 C VAL A 236 20.046 -5.920 -2.470 1.00 23.04 C ATOM 1509 O VAL A 236 19.036 -6.617 -2.531 1.00 24.88 O ATOM 1510 CB VAL A 236 21.721 -7.531 -3.456 1.00 23.16 C ATOM 1511 CG1 VAL A 236 21.564 -6.832 -4.825 1.00 25.39 C ATOM 1512 CG2 VAL A 236 23.110 -8.101 -3.291 1.00 21.75 C ATOM 1513 H VAL A 236 21.323 -8.250 -0.963 1.00 0.00 H ATOM 1514 N GLU A 237 20.003 -4.588 -2.526 1.00 24.78 N ATOM 1515 CA GLU A 237 18.712 -3.906 -2.609 1.00 28.46 C ATOM 1516 C GLU A 237 17.910 -4.382 -3.814 1.00 28.34 C ATOM 1517 O GLU A 237 16.683 -4.514 -3.740 1.00 30.80 O ATOM 1518 CB GLU A 237 18.936 -2.393 -2.666 1.00 34.65 C ATOM 1519 CG GLU A 237 17.656 -1.566 -2.788 1.00 42.72 C ATOM 1520 H GLU A 237 20.885 -4.036 -2.511 1.00 0.00 H ATOM 1521 N ALA A 238 18.574 -4.628 -4.952 1.00 29.80 N ATOM 1522 CA ALA A 238 17.820 -4.964 -6.155 1.00 33.05 C ATOM 1523 C ALA A 238 17.281 -6.389 -6.154 1.00 35.51 C ATOM 1524 O ALA A 238 16.360 -6.690 -6.923 1.00 38.11 O ATOM 1525 CB ALA A 238 18.689 -4.755 -7.398 1.00 39.54 C ATOM 1526 H ALA A 238 19.613 -4.580 -4.977 1.00 0.00 H ATOM 1527 N LYS A 239 17.819 -7.270 -5.315 1.00 30.38 N ATOM 1528 CA LYS A 239 17.379 -8.664 -5.262 1.00 32.70 C ATOM 1529 C LYS A 239 17.513 -9.126 -3.826 1.00 28.00 C ATOM 1530 O LYS A 239 18.519 -9.726 -3.446 1.00 28.27 O ATOM 1531 CB LYS A 239 18.220 -9.543 -6.185 1.00 41.77 C ATOM 1532 CG LYS A 239 18.527 -8.902 -7.533 1.00 50.06 C ATOM 1533 H LYS A 239 18.577 -6.957 -4.676 1.00 0.00 H ATOM 1534 N PRO A 240 16.525 -8.831 -2.985 1.00 28.62 N ATOM 1535 CA PRO A 240 16.731 -8.951 -1.526 1.00 29.10 C ATOM 1536 C PRO A 240 16.967 -10.358 -0.995 1.00 28.49 C ATOM 1537 O PRO A 240 17.324 -10.466 0.190 1.00 29.78 O ATOM 1538 CB PRO A 240 15.438 -8.366 -0.941 1.00 34.93 C ATOM 1539 CG PRO A 240 14.486 -8.367 -2.058 1.00 38.41 C ATOM 1540 CD PRO A 240 15.255 -8.156 -3.288 1.00 35.53 C ATOM 1541 N SER A 241 16.767 -11.430 -1.772 1.00 29.31 N ATOM 1542 CA SER A 241 17.177 -12.751 -1.306 1.00 27.89 C ATOM 1543 C SER A 241 18.673 -12.982 -1.522 1.00 26.10 C ATOM 1544 O SER A 241 19.178 -14.062 -1.164 1.00 25.19 O ATOM 1545 CB SER A 241 16.364 -13.858 -2.004 1.00 30.11 C ATOM 1546 OG SER A 241 16.644 -13.881 -3.393 1.00 32.58 O ATOM 1547 HG SER A 241 17.609 -14.055 -3.531 1.00 0.00 H ATOM 1548 H SER A 241 16.321 -11.322 -2.705 1.00 0.00 H ATOM 1549 N VAL A 242 19.391 -11.988 -2.073 1.00 22.58 N ATOM 1550 CA VAL A 242 20.820 -12.096 -2.366 1.00 21.23 C ATOM 1551 C VAL A 242 21.604 -11.311 -1.328 1.00 20.90 C ATOM 1552 O VAL A 242 21.290 -10.146 -1.036 1.00 22.83 O ATOM 1553 CB VAL A 242 21.147 -11.600 -3.782 1.00 22.31 C ATOM 1554 CG1 VAL A 242 22.667 -11.691 -4.030 1.00 21.73 C ATOM 1555 CG2 VAL A 242 20.370 -12.432 -4.812 1.00 23.46 C ATOM 1556 H VAL A 242 18.906 -11.097 -2.303 1.00 0.00 H ATOM 1557 N TYR A 243 22.624 -11.953 -0.781 1.00 18.74 N ATOM 1558 CA TYR A 243 23.404 -11.416 0.313 1.00 18.53 C ATOM 1559 C TYR A 243 24.880 -11.596 0.043 1.00 19.31 C ATOM 1560 O TYR A 243 25.287 -12.506 -0.680 1.00 20.23 O ATOM 1561 CB TYR A 243 23.066 -12.127 1.649 1.00 20.18 C ATOM 1562 CG TYR A 243 21.672 -11.851 2.146 1.00 20.23 C ATOM 1563 CD1 TYR A 243 20.591 -12.616 1.724 1.00 21.26 C ATOM 1564 CD2 TYR A 243 21.436 -10.853 3.086 1.00 21.97 C ATOM 1565 CE1 TYR A 243 19.326 -12.379 2.210 1.00 26.02 C ATOM 1566 CE2 TYR A 243 20.165 -10.595 3.536 1.00 25.37 C ATOM 1567 CZ TYR A 243 19.128 -11.368 3.121 1.00 26.32 C ATOM 1568 OH TYR A 243 17.881 -11.118 3.620 1.00 29.31 O ATOM 1569 HH TYR A 243 17.235 -11.758 3.228 1.00 0.00 H ATOM 1570 H TYR A 243 22.877 -12.889 -1.156 1.00 0.00 H ATOM 1571 N PHE A 244 25.671 -10.733 0.665 1.00 16.83 N ATOM 1572 CA PHE A 244 27.124 -10.856 0.717 1.00 16.83 C ATOM 1573 C PHE A 244 27.522 -11.430 2.079 1.00 18.29 C ATOM 1574 O PHE A 244 27.034 -10.960 3.130 1.00 18.14 O ATOM 1575 CB PHE A 244 27.819 -9.499 0.601 1.00 14.54 C ATOM 1576 CG PHE A 244 27.577 -8.753 -0.698 1.00 16.85 C ATOM 1577 CD1 PHE A 244 26.901 -9.326 -1.733 1.00 20.57 C ATOM 1578 CD2 PHE A 244 28.049 -7.452 -0.828 1.00 18.99 C ATOM 1579 CE1 PHE A 244 26.701 -8.624 -2.938 1.00 20.53 C ATOM 1580 CE2 PHE A 244 27.860 -6.752 -2.008 1.00 18.46 C ATOM 1581 CZ PHE A 244 27.157 -7.331 -3.039 1.00 18.94 C ATOM 1582 H PHE A 244 25.231 -9.921 1.144 1.00 0.00 H ATOM 1583 N ILE A 245 28.411 -12.433 2.066 1.00 16.26 N ATOM 1584 CA ILE A 245 28.876 -13.105 3.271 1.00 15.56 C ATOM 1585 C ILE A 245 30.386 -13.009 3.329 1.00 17.55 C ATOM 1586 O ILE A 245 31.074 -13.275 2.331 1.00 17.08 O ATOM 1587 CB ILE A 245 28.436 -14.581 3.280 1.00 16.64 C ATOM 1588 CG1 ILE A 245 26.941 -14.646 3.574 1.00 18.66 C ATOM 1589 CG2 ILE A 245 29.212 -15.421 4.310 1.00 21.20 C ATOM 1590 CD1 ILE A 245 26.360 -16.079 3.572 1.00 20.60 C ATOM 1591 H ILE A 245 28.788 -12.747 1.149 1.00 0.00 H ATOM 1592 N LYS A 246 30.902 -12.678 4.498 1.00 17.32 N ATOM 1593 CA LYS A 246 32.339 -12.724 4.753 1.00 16.85 C ATOM 1594 C LYS A 246 32.599 -13.909 5.661 1.00 17.48 C ATOM 1595 O LYS A 246 32.103 -13.939 6.786 1.00 17.92 O ATOM 1596 CB LYS A 246 32.840 -11.439 5.421 1.00 18.34 C ATOM 1597 CG LYS A 246 34.322 -11.486 5.935 1.00 20.03 C ATOM 1598 CD LYS A 246 35.293 -11.469 4.803 1.00 19.32 C ATOM 1599 CE LYS A 246 36.714 -11.247 5.320 1.00 18.63 C ATOM 1600 NZ LYS A 246 37.185 -12.247 6.280 1.00 22.55 N ATOM 1601 HZ1 LYS A 246 36.561 -12.248 7.112 1.00 0.00 H ATOM 1602 HZ2 LYS A 246 37.172 -13.187 5.834 1.00 0.00 H ATOM 1603 HZ3 LYS A 246 38.155 -12.014 6.573 1.00 0.00 H ATOM 1604 H LYS A 246 30.265 -12.375 5.262 1.00 0.00 H ATOM 1605 N PHE A 247 33.305 -14.911 5.152 1.00 18.37 N ATOM 1606 CA PHE A 247 33.718 -16.007 6.007 1.00 18.31 C ATOM 1607 C PHE A 247 35.013 -15.695 6.738 1.00 19.39 C ATOM 1608 O PHE A 247 35.889 -14.991 6.221 1.00 19.04 O ATOM 1609 CB PHE A 247 33.901 -17.266 5.193 1.00 18.10 C ATOM 1610 CG PHE A 247 32.616 -17.839 4.659 1.00 18.20 C ATOM 1611 CD1 PHE A 247 31.697 -18.408 5.505 1.00 18.57 C ATOM 1612 CD2 PHE A 247 32.365 -17.865 3.321 1.00 18.82 C ATOM 1613 CE1 PHE A 247 30.498 -18.974 5.021 1.00 21.36 C ATOM 1614 CE2 PHE A 247 31.190 -18.426 2.815 1.00 19.70 C ATOM 1615 CZ PHE A 247 30.259 -18.986 3.661 1.00 20.97 C ATOM 1616 H PHE A 247 33.561 -14.910 4.144 1.00 0.00 H ATOM 1617 N ASP A 248 35.117 -16.228 7.967 1.00 19.77 N ATOM 1618 CA ASP A 248 36.263 -15.929 8.812 1.00 21.15 C ATOM 1619 C ASP A 248 37.581 -16.398 8.207 1.00 25.71 C ATOM 1620 O ASP A 248 38.634 -15.823 8.512 1.00 31.16 O ATOM 1621 CB ASP A 248 36.097 -16.551 10.214 1.00 24.93 C ATOM 1622 CG ASP A 248 34.819 -16.118 10.892 1.00 30.77 C ATOM 1623 OD1 ASP A 248 34.395 -14.968 10.694 1.00 32.92 O ATOM 1624 OD2 ASP A 248 34.262 -16.908 11.676 1.00 33.96 O ATOM 1625 H ASP A 248 34.370 -16.861 8.318 1.00 0.00 H ATOM 1626 N ASP A 249 37.567 -17.414 7.368 1.00 23.95 N ATOM 1627 CA ASP A 249 38.803 -18.030 6.905 1.00 26.45 C ATOM 1628 C ASP A 249 39.285 -17.522 5.545 1.00 24.85 C ATOM 1629 O ASP A 249 40.269 -18.052 5.025 1.00 28.11 O ATOM 1630 CB ASP A 249 38.638 -19.559 6.864 1.00 30.26 C ATOM 1631 CG ASP A 249 37.477 -20.030 5.978 1.00 37.58 C ATOM 1632 OD1 ASP A 249 36.764 -19.203 5.395 1.00 40.67 O ATOM 1633 OD2 ASP A 249 37.256 -21.257 5.879 1.00 44.78 O ATOM 1634 H ASP A 249 36.656 -17.783 7.030 1.00 0.00 H ATOM 1635 N ASP A 250 38.649 -16.506 4.974 1.00 19.26 N ATOM 1636 CA ASP A 250 39.012 -16.104 3.628 1.00 19.56 C ATOM 1637 C ASP A 250 38.703 -14.634 3.393 1.00 17.69 C ATOM 1638 O ASP A 250 37.838 -14.047 4.030 1.00 18.24 O ATOM 1639 CB ASP A 250 38.288 -16.936 2.574 1.00 25.67 C ATOM 1640 CG ASP A 250 38.851 -16.679 1.194 1.00 30.11 C ATOM 1641 OD1 ASP A 250 40.108 -16.707 1.021 1.00 31.37 O ATOM 1642 OD2 ASP A 250 38.064 -16.310 0.335 1.00 28.03 O ATOM 1643 H ASP A 250 37.897 -16.003 5.487 1.00 0.00 H ATOM 1644 N PHE A 251 39.412 -14.044 2.436 1.00 17.19 N ATOM 1645 CA PHE A 251 39.307 -12.615 2.186 1.00 17.17 C ATOM 1646 C PHE A 251 38.447 -12.265 0.958 1.00 15.86 C ATOM 1647 O PHE A 251 38.307 -11.095 0.656 1.00 15.69 O ATOM 1648 CB PHE A 251 40.703 -11.933 2.087 1.00 16.17 C ATOM 1649 CG PHE A 251 41.744 -12.647 1.253 1.00 17.32 C ATOM 1650 CD1 PHE A 251 43.035 -12.745 1.729 1.00 20.32 C ATOM 1651 CD2 PHE A 251 41.471 -13.164 0.005 1.00 17.53 C ATOM 1652 CE1 PHE A 251 44.033 -13.332 0.983 1.00 21.94 C ATOM 1653 CE2 PHE A 251 42.475 -13.760 -0.730 1.00 17.94 C ATOM 1654 CZ PHE A 251 43.744 -13.835 -0.259 1.00 21.29 C ATOM 1655 H PHE A 251 40.056 -14.616 1.853 1.00 0.00 H ATOM 1656 N HIS A 252 37.798 -13.212 0.320 1.00 15.04 N ATOM 1657 CA HIS A 252 36.819 -12.913 -0.706 1.00 13.98 C ATOM 1658 C HIS A 252 35.501 -12.563 -0.037 1.00 17.12 C ATOM 1659 O HIS A 252 35.257 -12.888 1.127 1.00 17.18 O ATOM 1660 CB HIS A 252 36.637 -14.064 -1.697 1.00 18.12 C ATOM 1661 CG HIS A 252 37.854 -14.357 -2.497 1.00 20.08 C ATOM 1662 ND1 HIS A 252 38.780 -15.295 -2.109 1.00 22.50 N ATOM 1663 CD2 HIS A 252 38.298 -13.838 -3.668 1.00 21.93 C ATOM 1664 CE1 HIS A 252 39.748 -15.347 -3.012 1.00 22.82 C ATOM 1665 NE2 HIS A 252 39.485 -14.462 -3.955 1.00 23.09 N ATOM 1666 H HIS A 252 37.992 -14.206 0.558 1.00 0.00 H ATOM 1667 N ILE A 253 34.630 -11.934 -0.816 1.00 15.09 N ATOM 1668 CA ILE A 253 33.245 -11.669 -0.423 1.00 13.60 C ATOM 1669 C ILE A 253 32.360 -12.606 -1.248 1.00 15.50 C ATOM 1670 O ILE A 253 32.339 -12.564 -2.491 1.00 15.88 O ATOM 1671 CB ILE A 253 32.877 -10.180 -0.598 1.00 14.74 C ATOM 1672 CG1 ILE A 253 33.853 -9.233 0.102 1.00 15.73 C ATOM 1673 CG2 ILE A 253 31.429 -9.951 -0.219 1.00 16.21 C ATOM 1674 CD1 ILE A 253 34.021 -9.518 1.576 1.00 15.60 C ATOM 1675 H ILE A 253 34.947 -11.613 -1.753 1.00 0.00 H ATOM 1676 N TYR A 254 31.702 -13.522 -0.556 1.00 15.63 N ATOM 1677 CA TYR A 254 30.861 -14.516 -1.203 1.00 15.01 C ATOM 1678 C TYR A 254 29.444 -13.985 -1.395 1.00 15.57 C ATOM 1679 O TYR A 254 28.885 -13.322 -0.505 1.00 17.29 O ATOM 1680 CB TYR A 254 30.871 -15.798 -0.359 1.00 15.27 C ATOM 1681 CG TYR A 254 32.210 -16.483 -0.392 1.00 17.69 C ATOM 1682 CD1 TYR A 254 33.258 -16.045 0.394 1.00 19.81 C ATOM 1683 CD2 TYR A 254 32.437 -17.552 -1.236 1.00 21.62 C ATOM 1684 CE1 TYR A 254 34.516 -16.645 0.335 1.00 18.95 C ATOM 1685 CE2 TYR A 254 33.666 -18.179 -1.272 1.00 21.54 C ATOM 1686 CZ TYR A 254 34.703 -17.700 -0.489 1.00 23.65 C ATOM 1687 OH TYR A 254 35.941 -18.305 -0.523 1.00 29.69 O ATOM 1688 HH TYR A 254 36.554 -17.834 0.095 1.00 0.00 H ATOM 1689 H TYR A 254 31.789 -13.531 0.480 1.00 0.00 H ATOM 1690 N VAL A 255 28.851 -14.315 -2.527 1.00 16.60 N ATOM 1691 CA VAL A 255 27.513 -13.862 -2.869 1.00 15.85 C ATOM 1692 C VAL A 255 26.614 -15.095 -2.985 1.00 18.93 C ATOM 1693 O VAL A 255 26.955 -16.060 -3.679 1.00 18.91 O ATOM 1694 CB VAL A 255 27.514 -13.059 -4.191 1.00 15.91 C ATOM 1695 CG1 VAL A 255 26.169 -12.557 -4.463 1.00 17.87 C ATOM 1696 CG2 VAL A 255 28.569 -11.892 -4.150 1.00 17.26 C ATOM 1697 H VAL A 255 29.361 -14.922 -3.200 1.00 0.00 H ATOM 1698 N TYR A 256 25.462 -15.052 -2.313 1.00 19.84 N ATOM 1699 CA TYR A 256 24.508 -16.154 -2.352 1.00 20.23 C ATOM 1700 C TYR A 256 23.104 -15.633 -2.537 1.00 20.14 C ATOM 1701 O TYR A 256 22.728 -14.645 -1.920 1.00 21.97 O ATOM 1702 CB TYR A 256 24.514 -16.919 -1.035 1.00 21.93 C ATOM 1703 CG TYR A 256 25.760 -17.652 -0.697 1.00 19.31 C ATOM 1704 CD1 TYR A 256 25.959 -18.951 -1.142 1.00 21.77 C ATOM 1705 CD2 TYR A 256 26.735 -17.061 0.094 1.00 17.37 C ATOM 1706 CE1 TYR A 256 27.121 -19.631 -0.813 1.00 22.20 C ATOM 1707 CE2 TYR A 256 27.904 -17.738 0.417 1.00 17.87 C ATOM 1708 CZ TYR A 256 28.058 -19.022 0.004 1.00 21.37 C ATOM 1709 OH TYR A 256 29.200 -19.712 0.320 1.00 24.09 O ATOM 1710 HH TYR A 256 29.147 -20.626 -0.057 1.00 0.00 H ATOM 1711 H TYR A 256 25.238 -14.209 -1.746 1.00 0.00 H ATOM 1712 N ASP A 257 22.310 -16.353 -3.329 1.00 20.40 N ATOM 1713 CA ASP A 257 20.878 -16.172 -3.412 1.00 20.21 C ATOM 1714 C ASP A 257 20.287 -17.314 -2.603 1.00 21.55 C ATOM 1715 O ASP A 257 20.495 -18.486 -2.943 1.00 21.80 O ATOM 1716 CB ASP A 257 20.430 -16.249 -4.859 1.00 23.43 C ATOM 1717 CG ASP A 257 18.957 -16.053 -5.024 1.00 25.43 C ATOM 1718 OD1 ASP A 257 18.198 -16.080 -4.028 1.00 27.07 O ATOM 1719 OD2 ASP A 257 18.592 -15.881 -6.232 1.00 28.96 O ATOM 1720 H ASP A 257 22.746 -17.088 -3.922 1.00 0.00 H ATOM 1721 N LEU A 258 19.649 -16.969 -1.502 1.00 20.92 N ATOM 1722 CA LEU A 258 19.307 -17.955 -0.488 1.00 22.04 C ATOM 1723 C LEU A 258 18.216 -18.908 -0.934 1.00 24.65 C ATOM 1724 O LEU A 258 17.945 -19.879 -0.212 1.00 28.44 O ATOM 1725 CB LEU A 258 18.906 -17.247 0.814 1.00 25.71 C ATOM 1726 CG LEU A 258 20.013 -16.404 1.434 1.00 25.63 C ATOM 1727 CD1 LEU A 258 19.538 -16.035 2.823 1.00 24.42 C ATOM 1728 CD2 LEU A 258 21.393 -17.089 1.519 1.00 24.45 C ATOM 1729 H LEU A 258 19.385 -15.974 -1.356 1.00 0.00 H ATOM 1730 N VAL A 259 17.583 -18.693 -2.095 1.00 24.91 N ATOM 1731 CA VAL A 259 16.597 -19.668 -2.557 1.00 27.07 C ATOM 1732 C VAL A 259 17.223 -20.779 -3.374 1.00 26.63 C ATOM 1733 O VAL A 259 16.534 -21.759 -3.716 1.00 29.85 O ATOM 1734 CB VAL A 259 15.475 -19.033 -3.406 1.00 29.34 C ATOM 1735 CG1 VAL A 259 14.823 -17.932 -2.611 1.00 31.53 C ATOM 1736 CG2 VAL A 259 15.994 -18.518 -4.756 1.00 32.02 C ATOM 1737 H VAL A 259 17.790 -17.844 -2.659 1.00 0.00 H ATOM 1738 N LYS A 260 18.493 -20.657 -3.719 1.00 24.66 N ATOM 1739 CA LYS A 260 19.143 -21.547 -4.666 1.00 26.49 C ATOM 1740 C LYS A 260 19.923 -22.668 -3.986 1.00 24.49 C ATOM 1741 O LYS A 260 20.315 -22.594 -2.817 1.00 25.04 O ATOM 1742 CB LYS A 260 20.097 -20.757 -5.580 1.00 37.38 C ATOM 1743 CG LYS A 260 19.455 -19.571 -6.278 1.00 60.64 C ATOM 1744 CD LYS A 260 18.407 -20.015 -7.276 1.00 81.64 C ATOM 1745 CE LYS A 260 18.015 -18.893 -8.225 1.00 93.39 C ATOM 1746 NZ LYS A 260 17.125 -19.398 -9.303 1.00101.73 N ATOM 1747 HZ1 LYS A 260 17.621 -20.136 -9.843 1.00 0.00 H ATOM 1748 HZ2 LYS A 260 16.262 -19.796 -8.880 1.00 0.00 H ATOM 1749 HZ3 LYS A 260 16.872 -18.614 -9.937 1.00 0.00 H ATOM 1750 H LYS A 260 19.052 -19.890 -3.294 1.00 0.00 H ATOM 1751 N THR A 261 20.177 -23.711 -4.781 1.00 25.80 N ATOM 1752 CA THR A 261 20.917 -24.869 -4.308 1.00 26.51 C ATOM 1753 C THR A 261 22.262 -24.478 -3.709 1.00 26.83 C ATOM 1754 O THR A 261 22.650 -25.014 -2.662 1.00 27.98 O ATOM 1755 CB THR A 261 21.069 -25.859 -5.462 1.00 29.02 C ATOM 1756 OG1 THR A 261 19.772 -26.376 -5.771 1.00 30.50 O ATOM 1757 CG2 THR A 261 21.964 -27.038 -5.101 1.00 30.49 C ATOM 1758 HG1 THR A 261 19.401 -26.832 -4.974 1.00 0.00 H ATOM 1759 H THR A 261 19.837 -23.694 -5.764 1.00 0.00 H ATOM 1760 N SER A 262 22.977 -23.533 -4.338 1.00 27.49 N ATOM 1761 CA SER A 262 24.276 -23.138 -3.815 1.00 28.63 C ATOM 1762 C SER A 262 24.210 -22.611 -2.383 1.00 28.24 C ATOM 1763 O SER A 262 25.229 -22.642 -1.682 1.00 30.08 O ATOM 1764 CB SER A 262 24.906 -22.092 -4.754 1.00 38.12 C ATOM 1765 OG SER A 262 23.900 -21.288 -5.346 1.00 43.38 O ATOM 1766 HG SER A 262 23.393 -20.820 -4.636 1.00 0.00 H ATOM 1767 H SER A 262 22.603 -23.083 -5.198 1.00 0.00 H ATOM 1768 N ALA A 263 23.059 -22.131 -1.921 1.00 23.90 N ATOM 1769 CA ALA A 263 22.914 -21.685 -0.543 1.00 22.44 C ATOM 1770 C ALA A 263 22.298 -22.707 0.398 1.00 22.76 C ATOM 1771 O ALA A 263 22.070 -22.378 1.578 1.00 23.70 O ATOM 1772 CB ALA A 263 22.070 -20.408 -0.485 1.00 24.12 C ATOM 1773 H ALA A 263 22.241 -22.073 -2.561 1.00 0.00 H ATOM 1774 N GLU A 264 22.035 -23.937 -0.062 1.00 22.93 N ATOM 1775 CA GLU A 264 21.164 -24.837 0.702 1.00 23.91 C ATOM 1776 C GLU A 264 21.794 -25.334 2.001 1.00 23.84 C ATOM 1777 O GLU A 264 21.072 -25.882 2.845 1.00 28.97 O ATOM 1778 CB GLU A 264 20.732 -26.031 -0.172 1.00 27.46 C ATOM 1779 CG GLU A 264 21.801 -27.074 -0.415 1.00 31.56 C ATOM 1780 CD GLU A 264 21.344 -28.168 -1.382 1.00 47.86 C ATOM 1781 OE1 GLU A 264 20.157 -28.159 -1.781 1.00 47.26 O ATOM 1782 OE2 GLU A 264 22.181 -29.024 -1.735 1.00 48.50 O ATOM 1783 H GLU A 264 22.449 -24.254 -0.962 1.00 0.00 H ATOM 1784 N ASN A 265 23.101 -25.182 2.180 1.00 25.65 N ATOM 1785 CA ASN A 265 23.735 -25.642 3.396 1.00 27.59 C ATOM 1786 C ASN A 265 24.089 -24.483 4.297 1.00 25.49 C ATOM 1787 O ASN A 265 24.843 -24.685 5.264 1.00 29.74 O ATOM 1788 CB ASN A 265 24.981 -26.470 3.078 1.00 31.57 C ATOM 1789 CG ASN A 265 24.655 -27.715 2.247 1.00 40.17 C ATOM 1790 OD1 ASN A 265 25.230 -27.933 1.186 1.00 48.64 O ATOM 1791 ND2 ASN A 265 23.736 -28.512 2.725 1.00 40.78 N ATOM 1792 HD22 ASN A 265 23.273 -28.289 3.629 1.00 0.00 H ATOM 1793 HD21 ASN A 265 23.467 -29.369 2.201 1.00 0.00 H ATOM 1794 H ASN A 265 23.674 -24.728 1.440 1.00 0.00 H ATOM 1795 N LEU A 266 23.629 -23.264 3.992 1.00 22.12 N ATOM 1796 CA LEU A 266 23.889 -22.133 4.893 1.00 20.17 C ATOM 1797 C LEU A 266 22.808 -22.036 5.962 1.00 20.45 C ATOM 1798 O LEU A 266 21.619 -22.039 5.658 1.00 21.32 O ATOM 1799 CB LEU A 266 23.944 -20.819 4.122 1.00 19.23 C ATOM 1800 CG LEU A 266 24.943 -20.743 3.013 1.00 20.84 C ATOM 1801 CD1 LEU A 266 24.704 -19.410 2.326 1.00 21.39 C ATOM 1802 CD2 LEU A 266 26.351 -20.765 3.543 1.00 24.15 C ATOM 1803 H LEU A 266 23.087 -23.117 3.117 1.00 0.00 H ATOM 1804 N TYR A 267 23.235 -21.876 7.225 1.00 20.37 N ATOM 1805 CA TYR A 267 22.336 -21.758 8.374 1.00 20.72 C ATOM 1806 C TYR A 267 22.797 -20.530 9.139 1.00 19.99 C ATOM 1807 O TYR A 267 23.967 -20.158 9.053 1.00 21.85 O ATOM 1808 CB TYR A 267 22.371 -22.987 9.263 1.00 22.06 C ATOM 1809 CG TYR A 267 21.926 -24.274 8.635 1.00 24.37 C ATOM 1810 CD1 TYR A 267 22.737 -24.945 7.720 1.00 25.75 C ATOM 1811 CD2 TYR A 267 20.696 -24.800 8.926 1.00 23.59 C ATOM 1812 CE1 TYR A 267 22.312 -26.137 7.143 1.00 25.34 C ATOM 1813 CE2 TYR A 267 20.257 -26.009 8.344 1.00 26.14 C ATOM 1814 CZ TYR A 267 21.085 -26.634 7.448 1.00 26.52 C ATOM 1815 OH TYR A 267 20.586 -27.823 6.940 1.00 36.41 O ATOM 1816 HH TYR A 267 21.240 -28.209 6.305 1.00 0.00 H ATOM 1817 H TYR A 267 24.260 -21.834 7.396 1.00 0.00 H ATOM 1818 N PHE A 268 21.860 -19.903 9.852 1.00 20.09 N ATOM 1819 CA PHE A 268 22.045 -18.560 10.398 1.00 19.54 C ATOM 1820 C PHE A 268 21.679 -18.507 11.866 1.00 20.18 C ATOM 1821 O PHE A 268 20.815 -19.234 12.338 1.00 21.82 O ATOM 1822 CB PHE A 268 21.180 -17.560 9.641 1.00 19.69 C ATOM 1823 CG PHE A 268 21.452 -17.555 8.172 1.00 18.71 C ATOM 1824 CD1 PHE A 268 20.792 -18.411 7.345 1.00 20.22 C ATOM 1825 CD2 PHE A 268 22.436 -16.741 7.638 1.00 18.80 C ATOM 1826 CE1 PHE A 268 21.065 -18.413 5.971 1.00 20.48 C ATOM 1827 CE2 PHE A 268 22.689 -16.761 6.273 1.00 19.60 C ATOM 1828 CZ PHE A 268 22.000 -17.612 5.460 1.00 19.76 C ATOM 1829 H PHE A 268 20.959 -20.391 10.027 1.00 0.00 H ATOM 1830 N GLN A 269 22.286 -17.549 12.558 1.00 20.13 N ATOM 1831 CA GLN A 269 21.991 -17.337 13.975 1.00 23.30 C ATOM 1832 C GLN A 269 22.023 -15.859 14.334 1.00 24.21 C ATOM 1833 O GLN A 269 23.011 -15.174 13.906 1.00 25.41 O ATOM 1834 CB GLN A 269 23.035 -18.039 14.819 1.00 26.08 C ATOM 1835 CG GLN A 269 22.749 -18.009 16.274 1.00 31.14 C ATOM 1836 CD GLN A 269 23.924 -18.527 17.011 1.00 32.00 C ATOM 1837 OE1 GLN A 269 24.136 -19.743 17.077 1.00 32.38 O ATOM 1838 NE2 GLN A 269 24.745 -17.606 17.558 1.00 30.06 N ATOM 1839 HE22 GLN A 269 24.521 -16.594 17.474 1.00 0.00 H ATOM 1840 HE21 GLN A 269 25.602 -17.908 18.064 1.00 0.00 H ATOM 1841 H GLN A 269 22.983 -16.939 12.084 1.00 0.00 H TER 1842 GLN A 269 HETATM 1843 NA NA A 1 26.775 -16.646 18.134 1.00 35.55 NA HETATM 1844 O HOH 2 45.294 -10.275 15.303 1.00 27.88 O HETATM 1845 O HOH 3 36.395 -5.309 17.071 1.00 51.27 O HETATM 1846 O HOH 4 31.614 2.764 4.109 1.00 39.51 O HETATM 1847 O HOH 5 35.606 -5.373 -22.409 1.00 39.96 O HETATM 1848 O HOH 6 34.820 -6.462 14.729 1.00 39.45 O HETATM 1849 O HOH 7 53.667 -1.614 0.110 1.00 40.66 O HETATM 1850 O HOH 8 20.101 -15.663 -8.311 1.00 34.84 O HETATM 1851 O HOH 9 35.164 -3.483 14.821 1.00 33.63 O HETATM 1852 O HOH 10 55.618 -2.355 2.565 1.00 36.05 O HETATM 1853 O HOH 11 30.674 -19.730 -19.241 1.00 45.85 O HETATM 1854 O HOH 12 27.741 -4.959 -25.232 1.00 24.93 O HETATM 1855 O HOH 13 40.917 -6.254 -6.121 1.00 15.12 O HETATM 1856 O HOH 14 41.344 -9.893 7.704 1.00 17.53 O HETATM 1857 O HOH 15 29.763 -21.975 -0.937 1.00 31.56 O HETATM 1858 O HOH 16 27.251 -20.916 -8.694 1.00 31.44 O HETATM 1859 O HOH 17 56.345 -4.687 5.165 1.00 33.42 O HETATM 1860 O HOH 18 53.236 -8.256 5.954 1.00 20.86 O HETATM 1861 O HOH 19 29.446 1.457 -28.860 1.00 28.04 O HETATM 1862 O HOH 20 15.785 -12.326 2.481 1.00 45.42 O HETATM 1863 O HOH 21 26.794 -0.289 -3.558 1.00 39.55 O HETATM 1864 O HOH 22 41.057 -1.092 -9.466 1.00 28.31 O HETATM 1865 O HOH 23 35.236 -14.711 3.095 1.00 17.19 O HETATM 1866 O HOH 24 53.776 0.079 2.478 1.00 24.40 O HETATM 1867 O HOH 25 42.119 -0.105 -6.997 1.00 21.52 O HETATM 1868 O HOH 26 39.154 -14.013 -11.065 1.00 40.28 O HETATM 1869 O HOH 27 49.293 0.174 -8.811 1.00 45.19 O HETATM 1870 O HOH 28 35.452 -11.385 -3.693 1.00 15.50 O HETATM 1871 O HOH 29 23.638 -19.064 -3.845 1.00 43.21 O HETATM 1872 O HOH 30 52.887 -12.362 0.267 1.00 21.12 O HETATM 1873 O HOH 31 28.177 0.251 3.677 1.00 38.73 O HETATM 1874 O HOH 32 43.886 -6.522 -14.493 1.00 38.99 O HETATM 1875 O HOH 33 51.133 -4.680 -6.286 1.00 42.13 O HETATM 1876 O HOH 34 41.523 -8.122 -15.125 1.00 45.24 O HETATM 1877 O HOH 35 23.504 -16.110 -14.339 1.00 39.86 O HETATM 1878 O HOH 36 40.280 -2.409 10.717 1.00 22.21 O HETATM 1879 O HOH 37 25.290 -24.119 0.615 1.00 28.02 O HETATM 1880 O HOH 38 31.082 2.827 1.087 1.00 29.78 O HETATM 1881 O HOH 39 51.409 -7.791 -5.088 1.00 19.99 O HETATM 1882 O HOH 40 40.952 -10.622 -8.040 1.00 16.58 O HETATM 1883 O HOH 41 31.442 1.700 -16.505 1.00 28.51 O HETATM 1884 O HOH 42 28.525 0.723 12.282 1.00 32.81 O HETATM 1885 O HOH 43 29.211 -17.834 -3.057 1.00 20.89 O HETATM 1886 O HOH 44 29.963 -2.199 -0.438 1.00 30.44 O HETATM 1887 O HOH 45 21.180 -18.142 -24.082 1.00 32.99 O HETATM 1888 O HOH 46 29.340 -17.677 -14.791 1.00 21.95 O HETATM 1889 O HOH 47 33.693 5.082 7.219 1.00 46.05 O HETATM 1890 O HOH 48 37.233 0.116 -29.340 1.00 37.45 O HETATM 1891 O HOH 49 44.206 8.462 -0.541 1.00 25.06 O HETATM 1892 O HOH 50 27.371 -25.601 15.417 1.00 37.04 O HETATM 1893 O HOH 51 38.288 -4.716 -12.302 1.00 26.25 O HETATM 1894 O HOH 52 53.736 -14.703 2.047 1.00 26.88 O HETATM 1895 O HOH 53 18.754 -28.614 -4.456 1.00 22.53 O HETATM 1896 O HOH 54 22.978 -22.602 -14.609 1.00 30.97 O HETATM 1897 O HOH 55 21.218 -3.232 -5.612 1.00 26.89 O HETATM 1898 O HOH 56 40.450 -11.187 9.936 1.00 33.83 O HETATM 1899 O HOH 57 39.534 -2.234 -18.729 1.00 50.41 O HETATM 1900 O HOH 58 36.331 -8.033 -21.482 1.00 29.60 O HETATM 1901 O HOH 59 45.287 -2.021 15.179 1.00 50.10 O HETATM 1902 O HOH 60 45.078 -17.141 -1.957 1.00 40.36 O HETATM 1903 O HOH 61 39.936 -11.292 5.712 1.00 19.49 O HETATM 1904 O HOH 62 36.571 -2.817 -15.684 1.00 30.04 O HETATM 1905 O HOH 63 26.691 -4.105 7.196 1.00 23.45 O HETATM 1906 O HOH 64 40.514 -10.686 -20.032 1.00 34.75 O HETATM 1907 O HOH 65 27.915 -23.074 -2.507 1.00 48.14 O HETATM 1908 O HOH 66 36.338 -11.564 8.908 1.00 31.01 O HETATM 1909 O HOH 67 34.185 2.239 -24.449 1.00 45.23 O HETATM 1910 O HOH 68 41.205 9.922 -1.713 1.00 44.59 O HETATM 1911 O HOH 69 23.807 -13.134 15.747 1.00 37.27 O HETATM 1912 O HOH 70 40.043 -11.662 -12.796 1.00 29.59 O HETATM 1913 O HOH 71 41.213 -4.314 -12.192 1.00 39.79 O HETATM 1914 O HOH 72 22.366 -6.321 -24.620 1.00 39.95 O HETATM 1915 O HOH 73 53.251 -9.668 8.602 1.00 33.89 O HETATM 1916 O HOH 74 39.173 -9.310 -21.618 1.00 30.85 O HETATM 1917 O HOH 75 47.364 -16.343 -0.797 1.00 36.88 O HETATM 1918 O HOH 76 53.785 -2.785 10.181 1.00 31.71 O HETATM 1919 O HOH 77 26.230 -18.677 -4.726 1.00 29.46 O HETATM 1920 O HOH 78 48.613 -4.788 -10.201 1.00 34.49 O HETATM 1921 O HOH 79 33.333 -12.721 9.151 1.00 29.62 O HETATM 1922 O HOH 80 58.612 -6.972 -1.247 1.00 24.60 O HETATM 1923 O HOH 81 17.790 -9.560 -16.851 1.00 42.24 O HETATM 1924 O HOH 82 23.461 0.607 -6.527 1.00 30.67 O HETATM 1925 O HOH 83 42.684 -1.603 -11.527 1.00 35.44 O HETATM 1926 O HOH 84 42.574 -15.887 4.284 1.00 33.89 O HETATM 1927 O HOH 85 41.152 -13.890 5.503 1.00 23.28 O HETATM 1928 O HOH 86 41.695 -10.497 -11.083 1.00 25.87 O HETATM 1929 O HOH 87 36.200 16.646 -10.915 1.00 55.80 O HETATM 1930 O HOH 88 34.010 8.314 3.743 1.00 35.96 O HETATM 1931 O HOH 89 47.914 14.121 -1.180 1.00 32.36 O HETATM 1932 O HOH 90 22.950 -4.076 3.773 1.00 27.88 O HETATM 1933 O HOH 91 25.673 -18.905 -7.604 1.00 40.66 O HETATM 1934 O HOH 92 22.705 -2.982 -2.942 1.00 19.41 O HETATM 1935 O HOH 93 53.136 -17.345 0.780 1.00 53.42 O HETATM 1936 O HOH 94 47.841 -4.334 -6.099 1.00 33.03 O HETATM 1937 O HOH 95 59.622 -11.161 6.469 1.00 43.35 O HETATM 1938 O HOH 96 49.173 5.077 -6.719 1.00 38.25 O HETATM 1939 O HOH 97 45.012 16.249 -3.297 1.00 37.78 O HETATM 1940 O HOH 98 38.976 -0.436 12.149 1.00 27.82 O HETATM 1941 O HOH 99 24.432 -2.694 6.161 1.00 41.39 O HETATM 1942 O HOH 100 30.434 -20.204 -3.178 1.00 40.95 O HETATM 1943 O HOH 101 39.084 -3.467 -14.469 1.00 56.44 O HETATM 1944 O HOH 102 57.440 -3.621 7.315 1.00 63.72 O HETATM 1945 O HOH 103 28.017 -21.036 -4.322 1.00 35.21 O HETATM 1946 O HOH 104 20.791 -0.910 -6.233 1.00 35.35 O HETATM 1947 O HOH 105 28.361 3.562 -27.814 1.00 53.67 O HETATM 1948 O HOH 106 28.351 -22.319 -6.443 1.00 48.80 O HETATM 1949 O HOH 107 42.695 -9.738 -18.748 1.00 52.92 O HETATM 1950 O HOH 108 32.933 -20.658 -4.451 1.00 51.02 O HETATM 1951 N1 MOL A 109 36.334 -12.839 -15.358 1.00 0.24 N HETATM 1952 C10 MOL A 109 35.142 -12.546 -15.055 1.00 -0.03 C HETATM 1953 C9 MOL A 109 34.197 -12.213 -16.204 1.00 0.02 C HETATM 1954 C8 MOL A 109 34.523 -10.932 -16.991 1.00 0.09 C HETATM 1955 O2 MOL A 109 35.917 -11.034 -17.259 1.00 -0.27 O HETATM 1956 C7 MOL A 109 36.558 -9.811 -17.565 1.00 0.24 C HETATM 1957 C6 MOL A 109 35.884 -8.665 -17.986 1.00 0.09 C HETATM 1958 C5 MOL A 109 36.718 -7.555 -18.164 1.00 0.14 C HETATM 1959 C4 MOL A 109 38.135 -7.598 -17.926 1.00 0.04 C HETATM 1960 C16 MOL A 109 38.633 -6.205 -18.179 1.00 0.00 C HETATM 1961 C15 MOL A 109 37.507 -5.396 -18.662 1.00 0.05 C HETATM 1962 N3 MOL A 109 37.493 -4.131 -19.013 1.00 -0.36 N HETATM 1963 H2 MOL A 109 36.617 -3.696 -19.335 1.00 0.17 H HETATM 1964 H3 MOL A 109 38.358 -3.574 -18.966 1.00 0.17 H HETATM 1965 N2 MOL A 109 36.319 -6.198 -18.605 1.00 -0.26 N HETATM 1966 H18 MOL A 109 35.363 -5.887 -18.830 1.00 0.24 H HETATM 1967 C17 MOL A 109 39.667 -5.616 -17.225 1.00 -0.08 C HETATM 1968 C18 MOL A 109 40.703 -5.758 -18.311 1.00 -0.07 C HETATM 1969 C19 MOL A 109 39.614 -6.056 -19.318 1.00 -0.08 C HETATM 1970 H13 MOL A 109 39.390 -5.224 -20.002 1.00 0.02 H HETATM 1971 H14 MOL A 109 39.775 -6.976 -19.900 1.00 0.02 H HETATM 1972 H15 MOL A 109 41.407 -6.588 -18.153 1.00 0.02 H HETATM 1973 H16 MOL A 109 41.265 -4.835 -18.518 1.00 0.02 H HETATM 1974 H11 MOL A 109 39.860 -6.227 -16.331 1.00 0.02 H HETATM 1975 H12 MOL A 109 39.466 -4.578 -16.923 1.00 0.02 H HETATM 1976 C3 MOL A 109 38.766 -8.721 -17.459 1.00 0.08 C HETATM 1977 C2 MOL A 109 37.922 -9.894 -17.274 1.00 0.27 C HETATM 1978 O1 MOL A 109 38.348 -11.091 -16.799 1.00 -0.24 O HETATM 1979 C1 MOL A 109 39.750 -11.221 -16.561 1.00 0.09 C HETATM 1980 H19 MOL A 109 39.965 -12.230 -16.180 1.00 0.07 H HETATM 1981 H20 MOL A 109 40.067 -10.474 -15.819 1.00 0.07 H HETATM 1982 H21 MOL A 109 40.298 -11.059 -17.501 1.00 0.07 H HETATM 1983 H17 MOL A 109 39.828 -8.736 -17.241 1.00 0.12 H HETATM 1984 H4 MOL A 109 34.814 -8.636 -18.159 1.00 0.08 H HETATM 1985 H5 MOL A 109 33.947 -10.892 -17.927 1.00 0.06 H HETATM 1986 H6 MOL A 109 34.306 -10.038 -16.389 1.00 0.06 H HETATM 1987 H22 MOL A 109 34.215 -13.056 -16.910 1.00 0.03 H HETATM 1988 H23 MOL A 109 33.185 -12.104 -15.787 1.00 0.03 H HETATM 1989 H7 MOL A 109 35.175 -11.672 -14.388 1.00 0.08 H HETATM 1990 H8 MOL A 109 34.717 -13.404 -14.514 1.00 0.08 H HETATM 1991 C14 MOL A 109 36.972 -13.088 -14.242 1.00 -0.03 C HETATM 1992 C13 MOL A 109 38.079 -14.132 -14.546 1.00 -0.01 C HETATM 1993 C12 MOL A 109 37.749 -14.623 -15.903 1.00 -0.01 C HETATM 1994 C11 MOL A 109 36.490 -14.201 -16.136 1.00 -0.03 C HETATM 1995 H28 MOL A 109 36.333 -14.045 -17.213 1.00 0.08 H HETATM 1996 H29 MOL A 109 35.765 -14.939 -15.763 1.00 0.08 H HETATM 1997 H26 MOL A 109 37.800 -15.721 -15.939 1.00 0.03 H HETATM 1998 H27 MOL A 109 38.441 -14.199 -16.645 1.00 0.03 H HETATM 1999 H9 MOL A 109 38.051 -14.954 -13.816 1.00 0.03 H HETATM 2000 H10 MOL A 109 39.074 -13.662 -14.532 1.00 0.03 H HETATM 2001 H24 MOL A 109 36.273 -13.492 -13.495 1.00 0.08 H HETATM 2002 H25 MOL A 109 37.426 -12.163 -13.857 1.00 0.08 H HETATM 2003 H1 MOL A 109 36.751 -12.081 -15.876 1.00 0.20 H HETATM 2004 CE UNK 110 17.083 -8.882 -10.115 1.00 40.13 C CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 667 668 675 676 677 CONECT 675 667 CONECT 676 667 CONECT 677 667 CONECT 1308 1309 1315 1316 1317 CONECT 1315 1308 CONECT 1316 1308 CONECT 1317 1308 CONECT 1360 1359 1843 CONECT 1361 1359 1362 1363 1843 CONECT 1411 1412 1423 1424 1425 CONECT 1423 1411 CONECT 1424 1411 CONECT 1425 1411 CONECT 1838 1836 1839 1840 1843 CONECT 1843 1360 1361 1838 CONECT 1951 1952 1991 1994 2003 CONECT 1952 1951 1953 1989 1990 CONECT 1953 1952 1954 1987 1988 CONECT 1954 1953 1955 1985 1986 CONECT 1955 1954 1956 CONECT 1956 1955 1957 1977 CONECT 1957 1956 1958 1984 CONECT 1958 1957 1959 1965 CONECT 1959 1958 1960 1976 CONECT 1960 1959 1961 1967 1969 CONECT 1961 1960 1962 1965 CONECT 1962 1961 1963 1964 CONECT 1963 1962 CONECT 1964 1962 CONECT 1965 1958 1961 1966 CONECT 1966 1965 CONECT 1967 1960 1968 1974 1975 CONECT 1968 1967 1969 1972 1973 CONECT 1969 1960 1968 1970 1971 CONECT 1970 1969 CONECT 1971 1969 CONECT 1972 1968 CONECT 1973 1968 CONECT 1974 1967 CONECT 1975 1967 CONECT 1976 1959 1977 1983 CONECT 1977 1956 1976 1978 CONECT 1978 1977 1979 CONECT 1979 1978 1980 1981 1982 CONECT 1980 1979 CONECT 1981 1979 CONECT 1982 1979 CONECT 1983 1976 CONECT 1984 1957 CONECT 1985 1954 CONECT 1986 1954 CONECT 1987 1953 CONECT 1988 1953 CONECT 1989 1952 CONECT 1990 1952 CONECT 1991 1951 1992 2001 2002 CONECT 1992 1991 1993 1999 2000 CONECT 1993 1992 1994 1997 1998 CONECT 1994 1951 1993 1995 1996 CONECT 1995 1994 CONECT 1996 1994 CONECT 1997 1993 CONECT 1998 1993 CONECT 1999 1992 CONECT 2000 1992 CONECT 2001 1991 CONECT 2002 1991 CONECT 2003 1951 MASTER 0 0 0 0 0 0 0 0 2000 4 73 17 END
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Structure:
Ligand 2D
Ligand 3D
Protein
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Related entries of code: 6i8y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4h75
RCSB PDB
PDBbind
238aa, >4H75_1|Chain... *
4mzf
RCSB PDB
PDBbind
224aa, >4MZF_2|Chain... at 95%
4mzh
RCSB PDB
PDBbind
224aa, >4MZH_1|Chain... at 95%
5jsg
RCSB PDB
PDBbind
222aa, >5JSG_1|Chains... at 95%
5jsj
RCSB PDB
PDBbind
222aa, >5JSJ_1|Chains... at 95%
6qpl
RCSB PDB
PDBbind
222aa, >6QPL_1|Chain... at 96%
6i8l
RCSB PDB
PDBbind
222aa, >6I8L_1|Chain... at 96%
6i8b
RCSB PDB
PDBbind
222aa, >6I8B_1|Chains... at 96%
5y5w
RCSB PDB
PDBbind
235aa, >5Y5W_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4nvq
RCSB PDB
PDBbind
2OD
Entry Information
PDB ID
6i8y
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
SPIN1
Ligand Name
2OD
EC.Number
E.C.-.-.-.-
Resolution
1.52(Å)
Affinity (Kd/Ki/IC50)
Kd=180nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 9008-9025
Ligand Properties
Formula
C
1
9
H
2
9
N
3
O
2
Molecular Weight
331.452
Exact Mass
331.226
No. of atoms
53
No. of bonds
56
Polar Surface Area
60.52
LOGP Value
3.67 (
Computed with XLOGP3
)
1.85 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
COc1cc2c(cc1OCCC[NH+]1CCCC1)NC(=[NH2+])C12CCC1
InChI String
InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)/p+2
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9Y657
Entrez Gene ID
NCBI Entrez Gene ID:
10927
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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