Browse entries in the PDBbind-CN Database
HEADER 6E4C_COMPLEX COMPND 6E4C_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 54 MET ALA MET GLU ASP PHE VAL ARG GLN CYS PHE ASN PRO SEQRES 2 A 54 MET ILE VAL GLU LEU ALA GLU LYS ALA MET LYS GLU TYR SEQRES 3 A 54 GLY GLU ASP PRO LYS ILE GLU THR ASN LYS PHE ALA ALA SEQRES 4 A 54 ILE CYS THR HIS LEU GLU VAL CYS PHE MET TYR SER ASP SEQRES 5 A 54 PHE GLY SEQRES 1 A 66 HIS ARG PHE GLU ILE ILE GLU GLY ARG ASP ARG ILE MET SEQRES 2 A 66 ALA TRP THR VAL VAL ASN SER ILE CYS ASN THR THR GLY SEQRES 3 A 66 VAL GLU LYS PRO LYS PHE LEU PRO ASP LEU TYR ASP TYR SEQRES 4 A 66 LYS GLU ASN ARG PHE ILE GLU ILE GLY VAL THR ARG ARG SEQRES 5 A 66 GLU VAL HIS ILE TYR TYR LEU GLU LYS ALA ASN LYS ILE SEQRES 6 A 66 LYS SEQRES 1 A 56 GLU LYS THR HIS ILE HIS ILE PHE SER PHE THR GLY GLU SEQRES 2 A 56 GLU MET ALA THR LYS ALA ASP TYR THR LEU ASP GLU GLU SEQRES 3 A 56 SER ARG ALA ARG ILE LYS THR ARG LEU PHE THR ILE ARG SEQRES 4 A 56 GLN GLU MET ALA SER ARG SER LEU TRP ASP SER PHE ARG SEQRES 5 A 56 GLN SER GLU ARG HET MN A 1 1 HET MN A 2 1 HET HRJ A 211 34 ATOM 1 N MET A -1 -40.796 8.512 25.278 1.00 73.46 N ATOM 2 CA MET A -1 -40.578 9.457 24.132 1.00 76.92 C ATOM 3 C MET A -1 -40.667 8.697 22.799 1.00 70.59 C ATOM 4 O MET A -1 -39.929 7.729 22.564 1.00 68.56 O ATOM 5 CB MET A -1 -39.219 10.162 24.236 1.00 84.44 C ATOM 6 CG MET A -1 -39.130 11.443 23.420 1.00 94.89 C ATOM 7 SD MET A -1 -40.258 12.777 23.964 1.00113.12 S ATOM 8 CE MET A -1 -41.667 12.551 22.876 1.00102.06 C ATOM 9 HN3 MET A -1 -40.067 7.770 25.257 1.00 0.00 H ATOM 10 HN2 MET A -1 -41.737 8.078 25.193 1.00 0.00 H ATOM 11 HN1 MET A -1 -40.734 9.036 26.174 1.00 0.00 H ATOM 12 N ALA A 0 -41.610 9.133 21.948 1.00 67.62 N ATOM 13 CA ALA A 0 -41.720 8.706 20.559 1.00 60.31 C ATOM 14 C ALA A 0 -40.389 8.979 19.851 1.00 61.78 C ATOM 15 O ALA A 0 -39.941 8.156 19.046 1.00 65.68 O ATOM 16 CB ALA A 0 -42.861 9.420 19.881 1.00 60.30 C ATOM 17 H ALA A 0 -42.306 9.819 22.303 1.00 0.00 H ATOM 18 N MET A 1 -39.744 10.104 20.199 1.00 54.76 N ATOM 19 CA MET A 1 -38.501 10.525 19.545 1.00 58.97 C ATOM 20 C MET A 1 -37.409 9.481 19.775 1.00 56.47 C ATOM 21 O MET A 1 -36.662 9.171 18.847 1.00 57.18 O ATOM 22 CB MET A 1 -38.006 11.910 19.989 1.00 55.98 C ATOM 23 CG MET A 1 -36.694 12.344 19.308 1.00 58.00 C ATOM 24 SD MET A 1 -36.645 12.124 17.486 1.00 55.48 S ATOM 25 CE MET A 1 -37.147 13.750 16.939 1.00 50.34 C ATOM 26 H MET A 1 -40.139 10.696 20.957 1.00 0.00 H ATOM 27 N GLU A 2 -37.339 8.920 20.980 1.00 59.41 N ATOM 28 CA GLU A 2 -36.359 7.874 21.242 1.00 62.58 C ATOM 29 C GLU A 2 -36.727 6.607 20.463 1.00 58.06 C ATOM 30 O GLU A 2 -35.849 5.965 19.916 1.00 58.55 O ATOM 31 CB GLU A 2 -36.245 7.580 22.731 1.00 68.10 C ATOM 32 CG GLU A 2 -35.028 6.735 23.051 1.00 73.28 C ATOM 33 CD GLU A 2 -35.088 5.985 24.373 1.00 73.17 C ATOM 34 OE1 GLU A 2 -35.794 6.439 25.294 1.00 65.12 O ATOM 35 OE2 GLU A 2 -34.409 4.955 24.478 1.00 77.48 O ATOM 36 H GLU A 2 -37.984 9.228 21.735 1.00 0.00 H ATOM 37 N ASP A 3 -38.024 6.265 20.421 1.00 63.15 N ATOM 38 CA ASP A 3 -38.530 5.108 19.661 1.00 60.36 C ATOM 39 C ASP A 3 -38.217 5.293 18.173 1.00 61.14 C ATOM 40 O ASP A 3 -37.723 4.366 17.543 1.00 62.70 O ATOM 41 CB ASP A 3 -40.035 4.906 19.829 1.00 65.58 C ATOM 42 CG ASP A 3 -40.467 4.559 21.242 1.00 67.15 C ATOM 43 OD1 ASP A 3 -39.591 4.332 22.086 1.00 65.30 O ATOM 44 OD2 ASP A 3 -41.680 4.528 21.481 1.00 68.52 O ATOM 45 H ASP A 3 -38.706 6.845 20.951 1.00 0.00 H ATOM 46 N PHE A 4 -38.482 6.497 17.637 1.00 54.37 N ATOM 47 CA PHE A 4 -38.231 6.800 16.213 1.00 51.96 C ATOM 48 C PHE A 4 -36.768 6.500 15.852 1.00 45.25 C ATOM 49 O PHE A 4 -36.490 5.848 14.829 1.00 43.01 O ATOM 50 CB PHE A 4 -38.590 8.254 15.869 1.00 52.40 C ATOM 51 CG PHE A 4 -37.914 8.751 14.615 1.00 48.42 C ATOM 52 CD1 PHE A 4 -38.400 8.406 13.365 1.00 49.77 C ATOM 53 CD2 PHE A 4 -36.754 9.498 14.683 1.00 45.19 C ATOM 54 CE1 PHE A 4 -37.751 8.817 12.210 1.00 52.40 C ATOM 55 CE2 PHE A 4 -36.110 9.911 13.524 1.00 50.59 C ATOM 56 CZ PHE A 4 -36.614 9.579 12.288 1.00 46.78 C ATOM 57 H PHE A 4 -38.878 7.241 18.246 1.00 0.00 H ATOM 58 N VAL A 5 -35.853 6.979 16.703 1.00 44.17 N ATOM 59 CA VAL A 5 -34.417 6.843 16.513 1.00 47.22 C ATOM 60 C VAL A 5 -34.036 5.367 16.452 1.00 51.64 C ATOM 61 O VAL A 5 -33.276 4.948 15.578 1.00 59.25 O ATOM 62 CB VAL A 5 -33.633 7.525 17.641 1.00 48.08 C ATOM 63 CG1 VAL A 5 -32.228 6.961 17.752 1.00 55.52 C ATOM 64 CG2 VAL A 5 -33.589 9.027 17.461 1.00 51.08 C ATOM 65 H VAL A 5 -36.189 7.479 17.551 1.00 0.00 H ATOM 66 N ARG A 6 -34.534 4.592 17.415 1.00 59.94 N ATOM 67 CA ARG A 6 -34.151 3.186 17.514 1.00 63.70 C ATOM 68 C ARG A 6 -34.699 2.425 16.307 1.00 59.76 C ATOM 69 O ARG A 6 -34.112 1.445 15.886 1.00 61.41 O ATOM 70 CB ARG A 6 -34.613 2.574 18.837 1.00 65.20 C ATOM 71 CG ARG A 6 -34.252 3.415 20.052 1.00 64.04 C ATOM 72 CD ARG A 6 -34.097 2.614 21.326 1.00 66.12 C ATOM 73 NE ARG A 6 -32.686 2.422 21.635 1.00 70.86 N ATOM 74 CZ ARG A 6 -31.964 3.271 22.357 1.00 71.26 C ATOM 75 NH1 ARG A 6 -32.543 4.330 22.898 1.00 67.91 N ATOM 76 NH2 ARG A 6 -30.670 3.060 22.540 1.00 66.27 N ATOM 77 HE ARG A 6 -32.217 1.569 21.268 1.00 0.00 H ATOM 78 HH12 ARG A 6 -31.981 4.997 23.464 1.00 0.00 H ATOM 79 HH11 ARG A 6 -33.560 4.495 22.757 1.00 0.00 H ATOM 80 HH22 ARG A 6 -30.109 3.728 23.106 1.00 0.00 H ATOM 81 HH21 ARG A 6 -30.214 2.226 22.117 1.00 0.00 H ATOM 82 H ARG A 6 -35.203 4.993 18.103 1.00 0.00 H ATOM 83 N GLN A 7 -35.785 2.927 15.717 1.00 66.68 N ATOM 84 CA GLN A 7 -36.445 2.247 14.618 1.00 65.84 C ATOM 85 C GLN A 7 -35.973 2.740 13.244 1.00 61.78 C ATOM 86 O GLN A 7 -36.134 2.018 12.293 1.00 61.49 O ATOM 87 CB GLN A 7 -37.956 2.378 14.799 1.00 78.01 C ATOM 88 CG GLN A 7 -38.496 1.362 15.805 1.00 87.92 C ATOM 89 CD GLN A 7 -39.705 1.813 16.587 1.00 83.47 C ATOM 90 OE1 GLN A 7 -40.591 2.489 16.070 1.00 90.43 O ATOM 91 NE2 GLN A 7 -39.749 1.427 17.853 1.00 88.44 N ATOM 92 HE22 GLN A 7 -38.976 0.855 18.249 1.00 0.00 H ATOM 93 HE21 GLN A 7 -40.556 1.696 18.451 1.00 0.00 H ATOM 94 H GLN A 7 -36.170 3.832 16.055 1.00 0.00 H ATOM 95 N CYS A 8 -35.398 3.944 13.116 1.00 63.58 N ATOM 96 CA CYS A 8 -35.051 4.445 11.753 1.00 56.87 C ATOM 97 C CYS A 8 -33.533 4.439 11.483 1.00 56.99 C ATOM 98 O CYS A 8 -33.122 4.619 10.348 1.00 59.48 O ATOM 99 CB CYS A 8 -35.658 5.815 11.469 1.00 57.73 C ATOM 100 SG CYS A 8 -36.695 5.814 9.982 1.00 57.67 S ATOM 101 H CYS A 8 -35.196 4.522 13.956 1.00 0.00 H ATOM 102 N PHE A 9 -32.689 4.217 12.493 1.00 52.07 N ATOM 103 CA PHE A 9 -31.246 4.127 12.247 1.00 53.15 C ATOM 104 C PHE A 9 -30.798 2.703 12.579 1.00 54.81 C ATOM 105 O PHE A 9 -31.432 2.052 13.392 1.00 54.96 O ATOM 106 CB PHE A 9 -30.513 5.211 13.043 1.00 48.61 C ATOM 107 CG PHE A 9 -30.885 6.615 12.643 1.00 45.58 C ATOM 108 CD1 PHE A 9 -30.324 7.199 11.516 1.00 45.06 C ATOM 109 CD2 PHE A 9 -31.844 7.325 13.345 1.00 43.70 C ATOM 110 CE1 PHE A 9 -30.682 8.484 11.129 1.00 45.22 C ATOM 111 CE2 PHE A 9 -32.181 8.612 12.968 1.00 47.10 C ATOM 112 CZ PHE A 9 -31.599 9.192 11.862 1.00 42.62 C ATOM 113 H PHE A 9 -33.057 4.107 13.460 1.00 0.00 H ATOM 114 N ASN A 10 -29.736 2.224 11.929 1.00 55.67 N ATOM 115 CA ASN A 10 -29.303 0.871 12.158 1.00 58.99 C ATOM 116 C ASN A 10 -28.501 0.832 13.453 1.00 60.12 C ATOM 117 O ASN A 10 -27.847 1.799 13.834 1.00 59.79 O ATOM 118 CB ASN A 10 -28.591 0.256 10.950 1.00 63.60 C ATOM 119 CG ASN A 10 -27.103 0.500 10.914 1.00 71.95 C ATOM 120 OD1 ASN A 10 -26.435 0.502 11.946 1.00 81.64 O ATOM 121 ND2 ASN A 10 -26.569 0.677 9.715 1.00 86.12 N ATOM 122 HD22 ASN A 10 -27.175 0.667 8.870 1.00 0.00 H ATOM 123 HD21 ASN A 10 -25.544 0.826 9.619 1.00 0.00 H ATOM 124 H ASN A 10 -29.221 2.828 11.257 1.00 0.00 H ATOM 125 N PRO A 11 -28.539 -0.312 14.166 1.00 60.31 N ATOM 126 CA PRO A 11 -28.032 -0.397 15.536 1.00 55.99 C ATOM 127 C PRO A 11 -26.608 0.133 15.759 1.00 47.87 C ATOM 128 O PRO A 11 -26.320 0.687 16.818 1.00 50.69 O ATOM 129 CB PRO A 11 -28.106 -1.904 15.839 1.00 56.36 C ATOM 130 CG PRO A 11 -29.251 -2.383 14.978 1.00 64.47 C ATOM 131 CD PRO A 11 -29.136 -1.574 13.702 1.00 64.56 C ATOM 132 N MET A 12 -25.709 -0.075 14.798 1.00 49.66 N ATOM 133 CA MET A 12 -24.342 0.420 14.934 1.00 51.81 C ATOM 134 C MET A 12 -24.374 1.948 15.108 1.00 49.12 C ATOM 135 O MET A 12 -23.685 2.504 15.974 1.00 50.51 O ATOM 136 CB MET A 12 -23.504 0.053 13.709 1.00 54.79 C ATOM 137 CG MET A 12 -22.121 0.684 13.704 1.00 68.16 C ATOM 138 SD MET A 12 -21.293 0.616 12.079 1.00 89.26 S ATOM 139 CE MET A 12 -22.607 1.128 10.966 1.00 90.34 C ATOM 140 H MET A 12 -25.984 -0.596 13.941 1.00 0.00 H ATOM 141 N ILE A 13 -25.189 2.628 14.289 1.00 48.75 N ATOM 142 CA ILE A 13 -25.270 4.095 14.351 1.00 50.27 C ATOM 143 C ILE A 13 -25.861 4.476 15.715 1.00 45.17 C ATOM 144 O ILE A 13 -25.281 5.287 16.440 1.00 41.80 O ATOM 145 CB ILE A 13 -26.035 4.662 13.138 1.00 54.27 C ATOM 146 CG1 ILE A 13 -25.177 4.537 11.874 1.00 56.74 C ATOM 147 CG2 ILE A 13 -26.471 6.104 13.395 1.00 57.42 C ATOM 148 CD1 ILE A 13 -25.875 4.929 10.595 1.00 56.32 C ATOM 149 H ILE A 13 -25.772 2.111 13.600 1.00 0.00 H ATOM 150 N VAL A 14 -26.971 3.824 16.097 1.00 46.46 N ATOM 151 CA VAL A 14 -27.635 4.130 17.377 1.00 51.15 C ATOM 152 C VAL A 14 -26.618 3.990 18.523 1.00 51.47 C ATOM 153 O VAL A 14 -26.537 4.845 19.403 1.00 52.43 O ATOM 154 CB VAL A 14 -28.885 3.263 17.625 1.00 49.28 C ATOM 155 CG1 VAL A 14 -29.450 3.492 19.025 1.00 48.78 C ATOM 156 CG2 VAL A 14 -29.970 3.508 16.585 1.00 46.94 C ATOM 157 H VAL A 14 -27.370 3.089 15.478 1.00 0.00 H ATOM 158 N GLU A 15 -25.811 2.931 18.463 1.00 52.84 N ATOM 159 CA GLU A 15 -24.891 2.564 19.528 1.00 55.50 C ATOM 160 C GLU A 15 -23.736 3.565 19.571 1.00 48.86 C ATOM 161 O GLU A 15 -23.322 4.006 20.653 1.00 46.83 O ATOM 162 CB GLU A 15 -24.407 1.128 19.305 1.00 61.32 C ATOM 163 CG GLU A 15 -23.365 0.684 20.310 1.00 67.07 C ATOM 164 CD GLU A 15 -23.130 -0.816 20.387 1.00 76.32 C ATOM 165 OE1 GLU A 15 -24.014 -1.588 19.939 1.00 80.50 O ATOM 166 OE2 GLU A 15 -22.063 -1.212 20.908 1.00 82.72 O ATOM 167 H GLU A 15 -25.841 2.336 17.610 1.00 0.00 H ATOM 168 N LEU A 16 -23.212 3.898 18.386 1.00 50.96 N ATOM 169 CA LEU A 16 -22.184 4.921 18.245 1.00 54.72 C ATOM 170 C LEU A 16 -22.685 6.266 18.807 1.00 51.83 C ATOM 171 O LEU A 16 -21.961 6.934 19.579 1.00 49.37 O ATOM 172 CB LEU A 16 -21.760 5.008 16.771 1.00 57.15 C ATOM 173 CG LEU A 16 -20.743 3.945 16.327 1.00 57.10 C ATOM 174 CD1 LEU A 16 -20.518 3.959 14.820 1.00 52.70 C ATOM 175 CD2 LEU A 16 -19.420 4.128 17.057 1.00 57.19 C ATOM 176 H LEU A 16 -23.551 3.408 17.533 1.00 0.00 H ATOM 177 N ALA A 17 -23.925 6.646 18.468 1.00 50.96 N ATOM 178 CA ALA A 17 -24.505 7.921 18.961 1.00 53.69 C ATOM 179 C ALA A 17 -24.680 7.862 20.485 1.00 50.13 C ATOM 180 O ALA A 17 -24.315 8.793 21.199 1.00 49.31 O ATOM 181 CB ALA A 17 -25.819 8.211 18.269 1.00 54.25 C ATOM 182 H ALA A 17 -24.493 6.035 17.847 1.00 0.00 H ATOM 183 N GLU A 18 -25.242 6.754 20.976 1.00 54.34 N ATOM 184 CA GLU A 18 -25.445 6.571 22.403 1.00 59.47 C ATOM 185 C GLU A 18 -24.122 6.687 23.164 1.00 61.04 C ATOM 186 O GLU A 18 -24.055 7.361 24.208 1.00 54.95 O ATOM 187 CB GLU A 18 -26.101 5.227 22.693 1.00 59.87 C ATOM 188 CG GLU A 18 -27.586 5.375 22.914 1.00 63.74 C ATOM 189 CD GLU A 18 -28.269 4.128 23.414 1.00 64.36 C ATOM 190 OE1 GLU A 18 -28.115 3.080 22.764 1.00 58.31 O ATOM 191 OE2 GLU A 18 -28.965 4.224 24.442 1.00 76.10 O ATOM 192 H GLU A 18 -25.542 6.004 20.321 1.00 0.00 H ATOM 193 N LYS A 19 -23.090 6.011 22.651 1.00 68.69 N ATOM 194 CA LYS A 19 -21.773 5.971 23.283 1.00 71.07 C ATOM 195 C LYS A 19 -21.261 7.413 23.445 1.00 67.92 C ATOM 196 O LYS A 19 -20.922 7.853 24.552 1.00 70.08 O ATOM 197 CB LYS A 19 -20.850 5.069 22.456 1.00 80.61 C ATOM 198 CG LYS A 19 -19.399 4.999 22.923 1.00 86.97 C ATOM 199 CD LYS A 19 -18.378 5.189 21.812 1.00 89.94 C ATOM 200 CE LYS A 19 -17.269 6.151 22.189 1.00 97.53 C ATOM 201 NZ LYS A 19 -16.561 6.674 20.996 1.00 98.79 N ATOM 202 HZ1 LYS A 19 -16.141 5.882 20.469 1.00 0.00 H ATOM 203 HZ2 LYS A 19 -17.237 7.178 20.387 1.00 0.00 H ATOM 204 HZ3 LYS A 19 -15.811 7.328 21.298 1.00 0.00 H ATOM 205 H LYS A 19 -23.230 5.490 21.762 1.00 0.00 H ATOM 206 N ALA A 20 -21.272 8.165 22.341 1.00 62.70 N ATOM 207 CA ALA A 20 -20.747 9.520 22.297 1.00 62.91 C ATOM 208 C ALA A 20 -21.547 10.473 23.201 1.00 65.38 C ATOM 209 O ALA A 20 -21.022 11.498 23.611 1.00 67.87 O ATOM 210 CB ALA A 20 -20.751 10.012 20.869 1.00 62.38 C ATOM 211 H ALA A 20 -21.675 7.762 21.471 1.00 0.00 H ATOM 212 N MET A 21 -22.833 10.193 23.450 1.00 57.64 N ATOM 213 CA MET A 21 -23.600 11.040 24.379 1.00 61.27 C ATOM 214 C MET A 21 -23.287 10.648 25.833 1.00 60.61 C ATOM 215 O MET A 21 -22.954 11.514 26.660 1.00 59.71 O ATOM 216 CB MET A 21 -25.103 10.955 24.125 1.00 51.96 C ATOM 217 CG MET A 21 -25.525 11.621 22.837 1.00 51.46 C ATOM 218 SD MET A 21 -27.325 11.517 22.617 1.00 53.86 S ATOM 219 CE MET A 21 -27.788 12.880 23.686 1.00 50.40 C ATOM 220 H MET A 21 -23.288 9.380 22.989 1.00 0.00 H ATOM 221 N LYS A 22 -23.364 9.344 26.115 1.00 60.99 N ATOM 222 CA LYS A 22 -23.293 8.806 27.479 1.00 71.58 C ATOM 223 C LYS A 22 -21.899 9.030 28.083 1.00 70.93 C ATOM 224 O LYS A 22 -21.786 9.339 29.260 1.00 77.76 O ATOM 225 CB LYS A 22 -23.708 7.331 27.468 1.00 74.66 C ATOM 226 CG LYS A 22 -25.196 7.112 27.217 1.00 75.66 C ATOM 227 CD LYS A 22 -25.532 5.753 26.660 1.00 81.96 C ATOM 228 CE LYS A 22 -25.228 4.627 27.624 1.00 86.60 C ATOM 229 NZ LYS A 22 -25.800 3.344 27.147 1.00 89.56 N ATOM 230 HZ1 LYS A 22 -26.832 3.437 27.059 1.00 0.00 H ATOM 231 HZ2 LYS A 22 -25.392 3.107 26.220 1.00 0.00 H ATOM 232 HZ3 LYS A 22 -25.575 2.591 27.828 1.00 0.00 H ATOM 233 H LYS A 22 -23.480 8.675 25.327 1.00 0.00 H ATOM 234 N GLU A 23 -20.848 8.910 27.268 1.00 68.13 N ATOM 235 CA GLU A 23 -19.482 9.124 27.738 1.00 70.77 C ATOM 236 C GLU A 23 -19.285 10.571 28.213 1.00 72.04 C ATOM 237 O GLU A 23 -18.422 10.845 29.055 1.00 73.44 O ATOM 238 CB GLU A 23 -18.481 8.793 26.633 1.00 74.50 C ATOM 239 CG GLU A 23 -18.223 7.304 26.501 1.00 75.00 C ATOM 240 CD GLU A 23 -17.111 6.935 25.539 1.00 81.14 C ATOM 241 OE1 GLU A 23 -16.852 5.714 25.402 1.00 85.28 O ATOM 242 OE2 GLU A 23 -16.506 7.862 24.932 1.00 74.83 O ATOM 243 H GLU A 23 -21.007 8.657 26.272 1.00 0.00 H ATOM 244 N TYR A 24 -20.080 11.491 27.665 1.00 70.46 N ATOM 245 CA TYR A 24 -19.992 12.899 27.989 1.00 71.95 C ATOM 246 C TYR A 24 -21.184 13.285 28.882 1.00 69.16 C ATOM 247 O TYR A 24 -21.575 14.440 28.972 1.00 69.02 O ATOM 248 CB TYR A 24 -19.834 13.670 26.674 1.00 77.61 C ATOM 249 CG TYR A 24 -18.622 13.235 25.884 1.00 82.86 C ATOM 250 CD1 TYR A 24 -18.684 12.174 24.993 1.00 83.87 C ATOM 251 CD2 TYR A 24 -17.388 13.846 26.059 1.00 87.02 C ATOM 252 CE1 TYR A 24 -17.570 11.751 24.277 1.00 86.04 C ATOM 253 CE2 TYR A 24 -16.262 13.429 25.362 1.00 87.25 C ATOM 254 CZ TYR A 24 -16.349 12.380 24.459 1.00 85.71 C ATOM 255 OH TYR A 24 -15.241 11.978 23.757 1.00 72.84 O ATOM 256 HH TYR A 24 -15.484 11.224 23.164 1.00 0.00 H ATOM 257 H TYR A 24 -20.794 11.183 26.975 1.00 0.00 H ATOM 258 N GLY A 25 -21.750 12.287 29.564 1.00 66.90 N ATOM 259 CA GLY A 25 -22.721 12.499 30.624 1.00 68.23 C ATOM 260 C GLY A 25 -24.056 13.034 30.125 1.00 67.76 C ATOM 261 O GLY A 25 -24.834 13.570 30.911 1.00 62.32 O ATOM 262 H GLY A 25 -21.483 11.311 29.325 1.00 0.00 H ATOM 263 N GLU A 26 -24.338 12.863 28.828 1.00 67.32 N ATOM 264 CA GLU A 26 -25.604 13.270 28.255 1.00 63.75 C ATOM 265 C GLU A 26 -26.483 12.037 28.031 1.00 60.59 C ATOM 266 O GLU A 26 -26.054 11.054 27.452 1.00 62.45 O ATOM 267 CB GLU A 26 -25.378 14.059 26.970 1.00 65.13 C ATOM 268 CG GLU A 26 -25.643 15.535 27.170 1.00 77.55 C ATOM 269 CD GLU A 26 -25.335 16.392 25.960 1.00 83.97 C ATOM 270 OE1 GLU A 26 -24.307 16.114 25.302 1.00 71.69 O ATOM 271 OE2 GLU A 26 -26.129 17.327 25.679 1.00 89.67 O ATOM 272 H GLU A 26 -23.625 12.424 28.212 1.00 0.00 H ATOM 273 N ASP A 27 -27.737 12.126 28.476 1.00 58.31 N ATOM 274 CA ASP A 27 -28.666 11.014 28.405 1.00 56.70 C ATOM 275 C ASP A 27 -29.505 11.099 27.126 1.00 54.69 C ATOM 276 O ASP A 27 -30.286 12.026 26.956 1.00 49.03 O ATOM 277 CB ASP A 27 -29.532 10.998 29.660 1.00 54.40 C ATOM 278 CG ASP A 27 -30.481 9.824 29.730 1.00 57.65 C ATOM 279 OD1 ASP A 27 -30.560 9.066 28.741 1.00 62.94 O ATOM 280 OD2 ASP A 27 -31.154 9.695 30.769 1.00 67.66 O ATOM 281 H ASP A 27 -28.060 13.024 28.888 1.00 0.00 H ATOM 282 N PRO A 28 -29.427 10.101 26.217 1.00 55.65 N ATOM 283 CA PRO A 28 -30.220 10.099 24.990 1.00 55.70 C ATOM 284 C PRO A 28 -31.731 9.931 25.187 1.00 57.51 C ATOM 285 O PRO A 28 -32.483 10.099 24.243 1.00 59.38 O ATOM 286 CB PRO A 28 -29.719 8.875 24.207 1.00 54.49 C ATOM 287 CG PRO A 28 -28.396 8.522 24.850 1.00 55.08 C ATOM 288 CD PRO A 28 -28.564 8.911 26.302 1.00 58.20 C ATOM 289 N LYS A 29 -32.171 9.581 26.397 1.00 60.80 N ATOM 290 CA LYS A 29 -33.615 9.513 26.663 1.00 57.18 C ATOM 291 C LYS A 29 -34.124 10.909 27.063 1.00 50.01 C ATOM 292 O LYS A 29 -35.319 11.158 27.040 1.00 50.93 O ATOM 293 CB LYS A 29 -33.905 8.425 27.700 1.00 57.27 C ATOM 294 CG LYS A 29 -33.271 7.068 27.402 1.00 61.30 C ATOM 295 CD LYS A 29 -33.356 6.072 28.543 1.00 66.66 C ATOM 296 CE LYS A 29 -34.582 5.182 28.471 1.00 72.93 C ATOM 297 NZ LYS A 29 -34.329 3.995 27.620 1.00 70.92 N ATOM 298 HZ1 LYS A 29 -34.085 4.305 26.658 1.00 0.00 H ATOM 299 HZ2 LYS A 29 -33.541 3.446 28.019 1.00 0.00 H ATOM 300 HZ3 LYS A 29 -35.184 3.404 27.589 1.00 0.00 H ATOM 301 H LYS A 29 -31.492 9.356 27.152 1.00 0.00 H ATOM 302 N ILE A 30 -33.201 11.818 27.401 1.00 52.20 N ATOM 303 CA ILE A 30 -33.522 13.206 27.769 1.00 53.01 C ATOM 304 C ILE A 30 -33.213 14.145 26.596 1.00 47.87 C ATOM 305 O ILE A 30 -34.057 14.985 26.222 1.00 42.69 O ATOM 306 CB ILE A 30 -32.762 13.639 29.038 1.00 57.25 C ATOM 307 CG1 ILE A 30 -33.128 12.779 30.251 1.00 62.32 C ATOM 308 CG2 ILE A 30 -32.980 15.124 29.306 1.00 55.49 C ATOM 309 CD1 ILE A 30 -32.224 13.001 31.463 1.00 66.77 C ATOM 310 H ILE A 30 -32.203 11.527 27.404 1.00 0.00 H ATOM 311 N GLU A 31 -31.992 14.057 26.053 1.00 40.87 N ATOM 312 CA GLU A 31 -31.622 14.923 24.949 1.00 45.62 C ATOM 313 C GLU A 31 -31.971 14.223 23.630 1.00 46.86 C ATOM 314 O GLU A 31 -31.079 13.872 22.852 1.00 45.30 O ATOM 315 CB GLU A 31 -30.149 15.314 25.064 1.00 50.29 C ATOM 316 CG GLU A 31 -29.867 16.236 26.248 1.00 57.17 C ATOM 317 CD GLU A 31 -30.810 17.428 26.344 1.00 65.98 C ATOM 318 OE1 GLU A 31 -31.401 17.615 27.426 1.00 68.40 O ATOM 319 OE2 GLU A 31 -30.988 18.147 25.320 1.00 67.54 O ATOM 320 H GLU A 31 -31.308 13.367 26.423 1.00 0.00 H ATOM 321 N THR A 32 -33.274 14.015 23.395 1.00 43.62 N ATOM 322 CA THR A 32 -33.711 13.123 22.341 1.00 47.42 C ATOM 323 C THR A 32 -33.491 13.770 20.964 1.00 49.74 C ATOM 324 O THR A 32 -33.244 13.033 20.001 1.00 47.13 O ATOM 325 CB THR A 32 -35.155 12.656 22.548 1.00 48.69 C ATOM 326 OG1 THR A 32 -35.965 13.822 22.496 1.00 52.45 O ATOM 327 CG2 THR A 32 -35.372 11.905 23.846 1.00 47.60 C ATOM 328 HG1 THR A 32 -36.913 13.570 22.626 1.00 0.00 H ATOM 329 H THR A 32 -33.983 14.502 23.979 1.00 0.00 H ATOM 330 N ASN A 33 -33.550 15.111 20.880 1.00 40.62 N ATOM 331 CA ASN A 33 -33.364 15.821 19.614 1.00 46.82 C ATOM 332 C ASN A 33 -31.885 15.759 19.228 1.00 45.33 C ATOM 333 O ASN A 33 -31.554 15.577 18.069 1.00 41.45 O ATOM 334 CB ASN A 33 -33.946 17.243 19.624 1.00 46.68 C ATOM 335 CG ASN A 33 -35.461 17.246 19.505 1.00 46.73 C ATOM 336 OD1 ASN A 33 -36.054 16.273 19.055 1.00 46.12 O ATOM 337 ND2 ASN A 33 -36.110 18.323 19.905 1.00 43.74 N ATOM 338 HD22 ASN A 33 -35.584 19.136 20.283 1.00 0.00 H ATOM 339 HD21 ASN A 33 -37.147 18.358 19.842 1.00 0.00 H ATOM 340 H ASN A 33 -33.734 15.661 21.743 1.00 0.00 H ATOM 341 N LYS A 34 -31.009 15.853 20.219 1.00 47.52 N ATOM 342 CA LYS A 34 -29.577 15.759 19.992 1.00 51.29 C ATOM 343 C LYS A 34 -29.193 14.359 19.484 1.00 49.21 C ATOM 344 O LYS A 34 -28.416 14.218 18.554 1.00 50.35 O ATOM 345 CB LYS A 34 -28.829 16.100 21.282 1.00 50.97 C ATOM 346 CG LYS A 34 -27.320 15.985 21.181 1.00 54.14 C ATOM 347 CD LYS A 34 -26.559 16.918 22.095 1.00 60.79 C ATOM 348 CE LYS A 34 -25.074 16.902 21.791 1.00 62.91 C ATOM 349 NZ LYS A 34 -24.305 17.570 22.867 1.00 66.05 N ATOM 350 HZ1 LYS A 34 -24.618 18.558 22.953 1.00 0.00 H ATOM 351 HZ2 LYS A 34 -24.467 17.074 23.767 1.00 0.00 H ATOM 352 HZ3 LYS A 34 -23.292 17.545 22.634 1.00 0.00 H ATOM 353 H LYS A 34 -31.358 15.998 21.188 1.00 0.00 H ATOM 354 N PHE A 35 -29.722 13.339 20.148 1.00 45.84 N ATOM 355 CA PHE A 35 -29.591 11.937 19.784 1.00 45.10 C ATOM 356 C PHE A 35 -29.992 11.734 18.311 1.00 40.58 C ATOM 357 O PHE A 35 -29.239 11.141 17.510 1.00 39.43 O ATOM 358 CB PHE A 35 -30.455 11.155 20.781 1.00 46.25 C ATOM 359 CG PHE A 35 -30.428 9.652 20.730 1.00 47.47 C ATOM 360 CD1 PHE A 35 -29.279 8.956 20.379 1.00 48.07 C ATOM 361 CD2 PHE A 35 -31.562 8.930 21.109 1.00 49.62 C ATOM 362 CE1 PHE A 35 -29.287 7.564 20.365 1.00 52.90 C ATOM 363 CE2 PHE A 35 -31.568 7.540 21.097 1.00 49.75 C ATOM 364 CZ PHE A 35 -30.425 6.861 20.734 1.00 51.17 C ATOM 365 H PHE A 35 -30.276 13.561 21.000 1.00 0.00 H ATOM 366 N ALA A 36 -31.203 12.172 17.958 1.00 41.79 N ATOM 367 CA ALA A 36 -31.690 12.075 16.580 1.00 43.39 C ATOM 368 C ALA A 36 -30.727 12.793 15.622 1.00 46.54 C ATOM 369 O ALA A 36 -30.511 12.317 14.524 1.00 48.50 O ATOM 370 CB ALA A 36 -33.081 12.623 16.469 1.00 44.27 C ATOM 371 H ALA A 36 -31.818 12.594 18.682 1.00 0.00 H ATOM 372 N ALA A 37 -30.116 13.905 16.059 1.00 43.71 N ATOM 373 CA ALA A 37 -29.214 14.702 15.194 1.00 41.36 C ATOM 374 C ALA A 37 -27.879 14.004 15.004 1.00 38.91 C ATOM 375 O ALA A 37 -27.302 14.071 13.927 1.00 36.32 O ATOM 376 CB ALA A 37 -28.968 16.072 15.759 1.00 38.85 C ATOM 377 H ALA A 37 -30.281 14.218 17.037 1.00 0.00 H ATOM 378 N ILE A 38 -27.346 13.446 16.096 1.00 44.55 N ATOM 379 CA ILE A 38 -26.075 12.737 16.057 1.00 47.01 C ATOM 380 C ILE A 38 -26.206 11.545 15.090 1.00 49.02 C ATOM 381 O ILE A 38 -25.334 11.351 14.241 1.00 45.65 O ATOM 382 CB ILE A 38 -25.621 12.322 17.471 1.00 51.22 C ATOM 383 CG1 ILE A 38 -25.105 13.537 18.253 1.00 49.74 C ATOM 384 CG2 ILE A 38 -24.581 11.208 17.389 1.00 50.35 C ATOM 385 CD1 ILE A 38 -24.890 13.307 19.728 1.00 46.98 C ATOM 386 H ILE A 38 -27.855 13.521 17.000 1.00 0.00 H ATOM 387 N CYS A 39 -27.304 10.783 15.212 1.00 42.64 N ATOM 388 CA CYS A 39 -27.540 9.617 14.367 1.00 42.60 C ATOM 389 C CYS A 39 -27.575 10.070 12.912 1.00 44.01 C ATOM 390 O CYS A 39 -26.813 9.512 12.073 1.00 42.22 O ATOM 391 CB CYS A 39 -28.838 8.879 14.695 1.00 44.28 C ATOM 392 SG CYS A 39 -28.808 8.050 16.310 1.00 48.00 S ATOM 393 H CYS A 39 -28.011 11.032 15.933 1.00 0.00 H ATOM 394 N THR A 40 -28.407 11.098 12.649 1.00 41.28 N ATOM 395 CA THR A 40 -28.634 11.624 11.295 1.00 39.82 C ATOM 396 C THR A 40 -27.295 11.967 10.669 1.00 38.16 C ATOM 397 O THR A 40 -27.001 11.472 9.609 1.00 40.25 O ATOM 398 CB THR A 40 -29.553 12.850 11.236 1.00 42.92 C ATOM 399 OG1 THR A 40 -30.854 12.480 11.700 1.00 40.50 O ATOM 400 CG2 THR A 40 -29.684 13.416 9.836 1.00 43.57 C ATOM 401 HG1 THR A 40 -30.790 12.155 12.633 1.00 0.00 H ATOM 402 H THR A 40 -28.913 11.540 13.443 1.00 0.00 H ATOM 403 N HIS A 41 -26.496 12.769 11.374 1.00 40.21 N ATOM 404 CA HIS A 41 -25.209 13.212 10.876 1.00 42.93 C ATOM 405 C HIS A 41 -24.267 12.008 10.666 1.00 46.15 C ATOM 406 O HIS A 41 -23.537 11.954 9.670 1.00 42.90 O ATOM 407 CB HIS A 41 -24.611 14.263 11.814 1.00 35.95 C ATOM 408 CG HIS A 41 -23.214 14.668 11.479 1.00 37.09 C ATOM 409 ND1 HIS A 41 -22.107 14.114 12.102 1.00 37.23 N ATOM 410 CD2 HIS A 41 -22.734 15.591 10.619 1.00 39.10 C ATOM 411 CE1 HIS A 41 -21.007 14.653 11.615 1.00 35.81 C ATOM 412 NE2 HIS A 41 -21.367 15.576 10.704 1.00 39.47 N ATOM 413 H HIS A 41 -26.807 13.088 12.314 1.00 0.00 H ATOM 414 N LEU A 42 -24.233 11.083 11.631 1.00 43.48 N ATOM 415 CA LEU A 42 -23.410 9.863 11.488 1.00 47.51 C ATOM 416 C LEU A 42 -23.781 9.130 10.194 1.00 41.78 C ATOM 417 O LEU A 42 -22.907 8.821 9.378 1.00 44.58 O ATOM 418 CB LEU A 42 -23.609 8.922 12.676 1.00 51.60 C ATOM 419 CG LEU A 42 -22.467 8.883 13.674 1.00 55.50 C ATOM 420 CD1 LEU A 42 -22.856 8.057 14.889 1.00 66.10 C ATOM 421 CD2 LEU A 42 -21.218 8.321 13.034 1.00 55.61 C ATOM 422 H LEU A 42 -24.794 11.224 12.495 1.00 0.00 H ATOM 423 N GLU A 43 -25.077 8.860 10.020 1.00 38.45 N ATOM 424 CA GLU A 43 -25.555 8.152 8.850 1.00 41.41 C ATOM 425 C GLU A 43 -25.128 8.855 7.553 1.00 45.37 C ATOM 426 O GLU A 43 -24.756 8.176 6.591 1.00 48.72 O ATOM 427 CB GLU A 43 -27.072 7.995 8.840 1.00 42.44 C ATOM 428 CG GLU A 43 -27.509 6.971 7.807 1.00 46.55 C ATOM 429 CD GLU A 43 -28.982 6.623 7.774 1.00 51.67 C ATOM 430 OE1 GLU A 43 -29.750 7.222 8.518 1.00 54.25 O ATOM 431 OE2 GLU A 43 -29.359 5.753 6.975 1.00 69.03 O ATOM 432 H GLU A 43 -25.760 9.165 10.742 1.00 0.00 H ATOM 433 N VAL A 44 -25.241 10.189 7.498 1.00 41.00 N ATOM 434 CA VAL A 44 -24.833 10.941 6.311 1.00 38.58 C ATOM 435 C VAL A 44 -23.337 10.738 6.071 1.00 34.59 C ATOM 436 O VAL A 44 -22.934 10.550 4.946 1.00 39.45 O ATOM 437 CB VAL A 44 -25.171 12.445 6.389 1.00 38.14 C ATOM 438 CG1 VAL A 44 -24.438 13.248 5.328 1.00 36.49 C ATOM 439 CG2 VAL A 44 -26.656 12.675 6.264 1.00 39.23 C ATOM 440 H VAL A 44 -25.627 10.701 8.317 1.00 0.00 H ATOM 441 N CYS A 45 -22.522 10.824 7.118 1.00 36.11 N ATOM 442 CA CYS A 45 -21.069 10.651 6.977 1.00 39.07 C ATOM 443 C CYS A 45 -20.726 9.258 6.419 1.00 43.86 C ATOM 444 O CYS A 45 -19.796 9.122 5.616 1.00 42.81 O ATOM 445 CB CYS A 45 -20.351 10.832 8.308 1.00 39.65 C ATOM 446 SG CYS A 45 -20.205 12.565 8.831 1.00 43.69 S ATOM 447 H CYS A 45 -22.922 11.018 8.058 1.00 0.00 H ATOM 448 N PHE A 46 -21.431 8.232 6.914 1.00 45.25 N ATOM 449 CA PHE A 46 -21.234 6.841 6.527 1.00 45.96 C ATOM 450 C PHE A 46 -21.700 6.676 5.083 1.00 49.04 C ATOM 451 O PHE A 46 -20.990 6.078 4.279 1.00 49.38 O ATOM 452 CB PHE A 46 -21.961 5.879 7.473 1.00 41.97 C ATOM 453 CG PHE A 46 -21.345 5.734 8.841 1.00 43.87 C ATOM 454 CD1 PHE A 46 -20.126 6.317 9.158 1.00 49.93 C ATOM 455 CD2 PHE A 46 -21.962 4.966 9.807 1.00 51.53 C ATOM 456 CE1 PHE A 46 -19.563 6.175 10.421 1.00 50.26 C ATOM 457 CE2 PHE A 46 -21.395 4.813 11.064 1.00 50.77 C ATOM 458 CZ PHE A 46 -20.203 5.416 11.373 1.00 50.56 C ATOM 459 H PHE A 46 -22.166 8.442 7.620 1.00 0.00 H ATOM 460 N MET A 47 -22.854 7.262 4.754 1.00 45.61 N ATOM 461 CA MET A 47 -23.350 7.198 3.407 1.00 44.02 C ATOM 462 C MET A 47 -22.360 7.839 2.428 1.00 46.90 C ATOM 463 O MET A 47 -22.111 7.269 1.345 1.00 46.44 O ATOM 464 CB MET A 47 -24.691 7.901 3.268 1.00 47.47 C ATOM 465 CG MET A 47 -25.837 7.018 3.611 1.00 49.75 C ATOM 466 SD MET A 47 -27.332 8.002 3.615 1.00 49.96 S ATOM 467 CE MET A 47 -27.995 7.567 2.007 1.00 52.72 C ATOM 468 H MET A 47 -23.399 7.770 5.480 1.00 0.00 H ATOM 469 N TYR A 48 -21.853 9.027 2.790 1.00 44.73 N ATOM 470 CA TYR A 48 -20.933 9.809 1.975 1.00 41.05 C ATOM 471 C TYR A 48 -19.680 8.974 1.686 1.00 44.89 C ATOM 472 O TYR A 48 -19.196 8.939 0.568 1.00 43.97 O ATOM 473 CB TYR A 48 -20.542 11.086 2.715 1.00 41.67 C ATOM 474 CG TYR A 48 -20.084 12.267 1.891 1.00 43.41 C ATOM 475 CD1 TYR A 48 -18.885 12.268 1.194 1.00 45.91 C ATOM 476 CD2 TYR A 48 -20.828 13.435 1.883 1.00 43.00 C ATOM 477 CE1 TYR A 48 -18.456 13.384 0.486 1.00 46.62 C ATOM 478 CE2 TYR A 48 -20.421 14.554 1.171 1.00 46.54 C ATOM 479 CZ TYR A 48 -19.225 14.538 0.479 1.00 45.43 C ATOM 480 OH TYR A 48 -18.846 15.662 -0.203 1.00 42.75 O ATOM 481 HH TYR A 48 -19.529 15.878 -0.886 1.00 0.00 H ATOM 482 H TYR A 48 -22.135 9.415 3.713 1.00 0.00 H ATOM 483 N SER A 49 -19.149 8.347 2.739 1.00 49.09 N ATOM 484 CA SER A 49 -17.995 7.439 2.676 1.00 53.70 C ATOM 485 C SER A 49 -18.255 6.248 1.738 1.00 51.05 C ATOM 486 O SER A 49 -17.391 5.843 0.983 1.00 59.72 O ATOM 487 CB SER A 49 -17.657 6.960 4.053 1.00 53.55 C ATOM 488 OG SER A 49 -16.407 6.300 4.036 1.00 70.42 O ATOM 489 HG SER A 49 -16.189 5.986 4.949 1.00 0.00 H ATOM 490 H SER A 49 -19.583 8.513 3.669 1.00 0.00 H ATOM 491 N ASP A 50 -19.460 5.690 1.808 1.00 51.40 N ATOM 492 CA ASP A 50 -19.793 4.461 1.134 1.00 59.06 C ATOM 493 C ASP A 50 -19.897 4.683 -0.369 1.00 59.81 C ATOM 494 O ASP A 50 -19.773 3.737 -1.113 1.00 62.02 O ATOM 495 CB ASP A 50 -21.116 3.875 1.627 1.00 60.17 C ATOM 496 CG ASP A 50 -20.978 3.092 2.917 1.00 65.48 C ATOM 497 OD1 ASP A 50 -19.820 2.873 3.367 1.00 72.78 O ATOM 498 OD2 ASP A 50 -22.023 2.729 3.476 1.00 74.55 O ATOM 499 H ASP A 50 -20.194 6.161 2.374 1.00 0.00 H ATOM 500 N PHE A 51 -20.136 5.923 -0.795 1.00 71.82 N ATOM 501 CA PHE A 51 -20.214 6.245 -2.224 1.00 76.25 C ATOM 502 C PHE A 51 -18.820 6.601 -2.755 1.00 72.67 C ATOM 503 O PHE A 51 -18.666 7.646 -3.357 1.00 81.63 O ATOM 504 CB PHE A 51 -21.207 7.384 -2.492 1.00 76.94 C ATOM 505 CG PHE A 51 -22.631 7.116 -2.074 1.00 75.60 C ATOM 506 CD1 PHE A 51 -23.358 6.079 -2.635 1.00 79.07 C ATOM 507 CD2 PHE A 51 -23.262 7.925 -1.140 1.00 81.43 C ATOM 508 CE1 PHE A 51 -24.671 5.842 -2.248 1.00 83.26 C ATOM 509 CE2 PHE A 51 -24.575 7.687 -0.757 1.00 81.05 C ATOM 510 CZ PHE A 51 -25.277 6.641 -1.306 1.00 80.17 C ATOM 511 H PHE A 51 -20.271 6.682 -0.097 1.00 0.00 H ATOM 512 N GLY A 52 -17.827 5.720 -2.555 1.00 73.92 N ATOM 513 CA GLY A 52 -16.481 5.914 -3.109 1.00 75.69 C ATOM 514 C GLY A 52 -15.626 4.658 -3.035 1.00 76.43 C ATOM 515 O GLY A 52 -15.855 3.794 -2.193 1.00 81.61 O ATOM 516 H GLY A 52 -18.018 4.870 -1.987 1.00 0.00 H TER 517 GLY A 52 ATOM 518 N HIS A 74 -12.164 2.644 -2.322 1.00 68.91 N ATOM 519 CA HIS A 74 -11.723 3.264 -1.066 1.00 75.15 C ATOM 520 C HIS A 74 -11.282 4.717 -1.338 1.00 72.67 C ATOM 521 O HIS A 74 -10.102 5.060 -1.200 1.00 73.00 O ATOM 522 CB HIS A 74 -10.626 2.398 -0.404 1.00 81.39 C ATOM 523 CG HIS A 74 -10.242 2.798 0.992 1.00 88.48 C ATOM 524 ND1 HIS A 74 -11.176 3.012 1.998 1.00 87.80 N ATOM 525 CD2 HIS A 74 -9.030 2.992 1.568 1.00 87.50 C ATOM 526 CE1 HIS A 74 -10.557 3.343 3.116 1.00 84.26 C ATOM 527 NE2 HIS A 74 -9.239 3.337 2.880 1.00 83.02 N ATOM 528 HN3 HIS A 74 -11.378 2.647 -3.003 1.00 0.00 H ATOM 529 HN2 HIS A 74 -12.964 3.183 -2.711 1.00 0.00 H ATOM 530 HN1 HIS A 74 -12.461 1.664 -2.138 1.00 0.00 H ATOM 531 N ARG A 75 -12.235 5.575 -1.729 1.00 61.12 N ATOM 532 CA ARG A 75 -11.953 7.001 -2.026 1.00 58.27 C ATOM 533 C ARG A 75 -11.881 7.854 -0.746 1.00 56.49 C ATOM 534 O ARG A 75 -11.081 8.782 -0.677 1.00 59.44 O ATOM 535 CB ARG A 75 -13.022 7.611 -2.933 1.00 57.63 C ATOM 536 CG ARG A 75 -12.620 8.968 -3.486 1.00 56.31 C ATOM 537 CD ARG A 75 -13.782 9.801 -3.984 1.00 57.98 C ATOM 538 NE ARG A 75 -13.399 11.204 -3.996 1.00 54.49 N ATOM 539 CZ ARG A 75 -13.930 12.131 -4.778 1.00 57.90 C ATOM 540 NH1 ARG A 75 -14.943 11.831 -5.570 1.00 61.85 N ATOM 541 NH2 ARG A 75 -13.437 13.356 -4.775 1.00 52.70 N ATOM 542 HE ARG A 75 -12.650 11.502 -3.339 1.00 0.00 H ATOM 543 HH12 ARG A 75 -15.358 12.562 -6.183 1.00 0.00 H ATOM 544 HH11 ARG A 75 -15.326 10.864 -5.581 1.00 0.00 H ATOM 545 HH22 ARG A 75 -13.853 14.085 -5.389 1.00 0.00 H ATOM 546 HH21 ARG A 75 -12.633 13.591 -4.159 1.00 0.00 H ATOM 547 H ARG A 75 -13.210 5.227 -1.828 1.00 0.00 H ATOM 548 N PHE A 76 -12.730 7.539 0.245 1.00 55.89 N ATOM 549 CA PHE A 76 -12.863 8.309 1.464 1.00 52.83 C ATOM 550 C PHE A 76 -12.360 7.517 2.670 1.00 54.51 C ATOM 551 O PHE A 76 -12.572 6.329 2.773 1.00 60.34 O ATOM 552 CB PHE A 76 -14.319 8.715 1.666 1.00 51.28 C ATOM 553 CG PHE A 76 -14.865 9.571 0.549 1.00 48.07 C ATOM 554 CD1 PHE A 76 -14.436 10.880 0.387 1.00 46.39 C ATOM 555 CD2 PHE A 76 -15.819 9.077 -0.326 1.00 46.99 C ATOM 556 CE1 PHE A 76 -14.939 11.674 -0.632 1.00 49.50 C ATOM 557 CE2 PHE A 76 -16.327 9.873 -1.344 1.00 49.49 C ATOM 558 CZ PHE A 76 -15.899 11.177 -1.487 1.00 51.40 C ATOM 559 H PHE A 76 -13.326 6.694 0.131 1.00 0.00 H ATOM 560 N GLU A 77 -11.664 8.211 3.571 1.00 54.73 N ATOM 561 CA GLU A 77 -11.393 7.712 4.913 1.00 57.21 C ATOM 562 C GLU A 77 -12.437 8.290 5.876 1.00 50.98 C ATOM 563 O GLU A 77 -12.596 9.483 5.948 1.00 57.71 O ATOM 564 CB GLU A 77 -9.997 8.124 5.387 1.00 57.18 C ATOM 565 CG GLU A 77 -9.542 7.342 6.599 1.00 58.91 C ATOM 566 CD GLU A 77 -9.341 5.884 6.262 1.00 59.14 C ATOM 567 OE1 GLU A 77 -8.610 5.616 5.284 1.00 55.93 O ATOM 568 OE2 GLU A 77 -9.974 5.051 6.911 1.00 64.01 O ATOM 569 H GLU A 77 -11.299 9.148 3.305 1.00 0.00 H ATOM 570 N ILE A 78 -13.098 7.421 6.643 1.00 51.81 N ATOM 571 CA ILE A 78 -14.086 7.844 7.614 1.00 52.37 C ATOM 572 C ILE A 78 -13.345 8.245 8.897 1.00 54.80 C ATOM 573 O ILE A 78 -12.617 7.448 9.465 1.00 50.31 O ATOM 574 CB ILE A 78 -15.166 6.759 7.827 1.00 58.00 C ATOM 575 CG1 ILE A 78 -16.142 7.157 8.933 1.00 65.39 C ATOM 576 CG2 ILE A 78 -14.580 5.383 8.086 1.00 63.13 C ATOM 577 CD1 ILE A 78 -16.923 8.415 8.630 1.00 65.64 C ATOM 578 H ILE A 78 -12.897 6.406 6.540 1.00 0.00 H ATOM 579 N ILE A 79 -13.500 9.502 9.335 1.00 48.30 N ATOM 580 CA ILE A 79 -12.888 9.924 10.597 1.00 48.37 C ATOM 581 C ILE A 79 -13.965 9.996 11.684 1.00 44.88 C ATOM 582 O ILE A 79 -13.752 9.541 12.806 1.00 47.08 O ATOM 583 CB ILE A 79 -12.134 11.252 10.412 1.00 48.24 C ATOM 584 CG1 ILE A 79 -11.029 11.097 9.370 1.00 48.34 C ATOM 585 CG2 ILE A 79 -11.580 11.789 11.734 1.00 46.14 C ATOM 586 CD1 ILE A 79 -10.785 12.342 8.578 1.00 51.75 C ATOM 587 H ILE A 79 -14.057 10.180 8.777 1.00 0.00 H ATOM 588 N GLU A 80 -15.105 10.598 11.338 1.00 42.79 N ATOM 589 CA GLU A 80 -16.278 10.694 12.221 1.00 45.78 C ATOM 590 C GLU A 80 -16.755 9.286 12.611 1.00 46.35 C ATOM 591 O GLU A 80 -16.699 8.349 11.814 1.00 46.29 O ATOM 592 CB GLU A 80 -17.383 11.460 11.501 1.00 44.49 C ATOM 593 CG GLU A 80 -18.632 11.686 12.322 1.00 47.51 C ATOM 594 CD GLU A 80 -18.424 12.456 13.604 1.00 45.26 C ATOM 595 OE1 GLU A 80 -18.272 11.801 14.629 1.00 55.11 O ATOM 596 OE2 GLU A 80 -18.430 13.703 13.573 1.00 45.03 O ATOM 597 H GLU A 80 -15.168 11.023 10.391 1.00 0.00 H ATOM 598 N GLY A 81 -17.168 9.131 13.866 1.00 44.63 N ATOM 599 CA GLY A 81 -17.724 7.872 14.332 1.00 51.61 C ATOM 600 C GLY A 81 -16.708 6.980 15.032 1.00 48.69 C ATOM 601 O GLY A 81 -17.090 5.997 15.633 1.00 59.72 O ATOM 602 H GLY A 81 -17.091 9.929 14.529 1.00 0.00 H ATOM 603 N ARG A 82 -15.422 7.297 14.932 1.00 46.10 N ATOM 604 CA ARG A 82 -14.398 6.578 15.665 1.00 48.43 C ATOM 605 C ARG A 82 -14.164 7.281 16.992 1.00 50.20 C ATOM 606 O ARG A 82 -14.422 8.454 17.096 1.00 46.05 O ATOM 607 CB ARG A 82 -13.044 6.609 14.960 1.00 51.96 C ATOM 608 CG ARG A 82 -13.077 6.201 13.499 1.00 58.03 C ATOM 609 CD ARG A 82 -11.742 6.545 12.881 1.00 64.20 C ATOM 610 NE ARG A 82 -11.673 6.116 11.496 1.00 70.53 N ATOM 611 CZ ARG A 82 -11.323 4.899 11.100 1.00 68.85 C ATOM 612 NH1 ARG A 82 -11.045 3.968 12.001 1.00 59.94 N ATOM 613 NH2 ARG A 82 -11.237 4.642 9.803 1.00 59.96 N ATOM 614 HE ARG A 82 -11.915 6.812 10.762 1.00 0.00 H ATOM 615 HH12 ARG A 82 -10.770 3.013 11.694 1.00 0.00 H ATOM 616 HH11 ARG A 82 -11.101 4.192 13.015 1.00 0.00 H ATOM 617 HH22 ARG A 82 -10.964 3.693 9.478 1.00 0.00 H ATOM 618 HH21 ARG A 82 -11.443 5.390 9.110 1.00 0.00 H ATOM 619 H ARG A 82 -15.142 8.083 14.311 1.00 0.00 H ATOM 620 N ASP A 83 -13.599 6.555 17.960 1.00 55.49 N ATOM 621 CA ASP A 83 -13.112 7.155 19.189 1.00 55.82 C ATOM 622 C ASP A 83 -11.982 8.143 18.844 1.00 59.60 C ATOM 623 O ASP A 83 -11.366 8.094 17.752 1.00 55.16 O ATOM 624 CB ASP A 83 -12.704 6.077 20.198 1.00 61.95 C ATOM 625 CG ASP A 83 -11.251 5.626 20.117 1.00 62.96 C ATOM 626 OD1 ASP A 83 -10.798 5.251 19.027 1.00 68.09 O ATOM 627 OD2 ASP A 83 -10.590 5.654 21.152 1.00 74.23 O ATOM 628 H ASP A 83 -13.505 5.528 17.829 1.00 0.00 H ATOM 629 N ARG A 84 -11.704 9.037 19.797 1.00 57.40 N ATOM 630 CA ARG A 84 -10.881 10.215 19.552 1.00 59.39 C ATOM 631 C ARG A 84 -9.433 9.813 19.263 1.00 56.36 C ATOM 632 O ARG A 84 -8.802 10.399 18.375 1.00 51.78 O ATOM 633 CB ARG A 84 -11.028 11.205 20.711 1.00 61.58 C ATOM 634 CG ARG A 84 -12.188 12.161 20.488 1.00 61.98 C ATOM 635 CD ARG A 84 -12.724 12.849 21.722 1.00 68.41 C ATOM 636 NE ARG A 84 -13.403 14.054 21.265 1.00 77.86 N ATOM 637 CZ ARG A 84 -14.114 14.871 22.024 1.00 80.26 C ATOM 638 NH1 ARG A 84 -14.614 15.973 21.498 1.00 85.44 N ATOM 639 NH2 ARG A 84 -14.327 14.587 23.295 1.00 88.53 N ATOM 640 HE ARG A 84 -13.322 14.292 20.256 1.00 0.00 H ATOM 641 HH12 ARG A 84 -15.175 16.622 22.086 1.00 0.00 H ATOM 642 HH11 ARG A 84 -14.448 16.192 20.495 1.00 0.00 H ATOM 643 HH22 ARG A 84 -14.887 15.234 23.886 1.00 0.00 H ATOM 644 HH21 ARG A 84 -13.935 13.716 23.706 1.00 0.00 H ATOM 645 H ARG A 84 -12.090 8.887 20.751 1.00 0.00 H ATOM 646 N ILE A 85 -8.942 8.798 19.981 1.00 55.85 N ATOM 647 CA ILE A 85 -7.601 8.238 19.768 1.00 55.04 C ATOM 648 C ILE A 85 -7.463 7.785 18.313 1.00 52.27 C ATOM 649 O ILE A 85 -6.496 8.150 17.636 1.00 54.06 O ATOM 650 CB ILE A 85 -7.324 7.078 20.748 1.00 60.74 C ATOM 651 CG1 ILE A 85 -7.258 7.574 22.196 1.00 62.99 C ATOM 652 CG2 ILE A 85 -6.057 6.329 20.363 1.00 58.50 C ATOM 653 CD1 ILE A 85 -7.899 6.647 23.190 1.00 66.02 C ATOM 654 H ILE A 85 -9.538 8.385 20.726 1.00 0.00 H ATOM 655 N MET A 86 -8.434 6.997 17.846 1.00 56.11 N ATOM 656 CA MET A 86 -8.416 6.466 16.478 1.00 59.70 C ATOM 657 C MET A 86 -8.581 7.592 15.443 1.00 54.37 C ATOM 658 O MET A 86 -7.836 7.634 14.473 1.00 56.61 O ATOM 659 CB MET A 86 -9.492 5.394 16.256 1.00 60.74 C ATOM 660 CG MET A 86 -9.131 4.046 16.869 1.00 66.43 C ATOM 661 SD MET A 86 -7.468 3.421 16.436 1.00 74.97 S ATOM 662 CE MET A 86 -7.399 3.714 14.670 1.00 62.75 C ATOM 663 H MET A 86 -9.228 6.752 18.471 1.00 0.00 H ATOM 664 N ALA A 87 -9.550 8.489 15.638 1.00 51.71 N ATOM 665 CA ALA A 87 -9.726 9.636 14.723 1.00 50.99 C ATOM 666 C ALA A 87 -8.402 10.399 14.543 1.00 46.08 C ATOM 667 O ALA A 87 -7.955 10.641 13.407 1.00 46.94 O ATOM 668 CB ALA A 87 -10.821 10.535 15.238 1.00 51.20 C ATOM 669 H ALA A 87 -10.193 8.379 16.448 1.00 0.00 H ATOM 670 N TRP A 88 -7.740 10.739 15.652 1.00 45.35 N ATOM 671 CA TRP A 88 -6.462 11.457 15.570 1.00 47.38 C ATOM 672 C TRP A 88 -5.358 10.575 14.991 1.00 50.61 C ATOM 673 O TRP A 88 -4.520 11.092 14.255 1.00 49.13 O ATOM 674 CB TRP A 88 -6.042 12.051 16.916 1.00 50.03 C ATOM 675 CG TRP A 88 -6.810 13.297 17.199 1.00 47.64 C ATOM 676 CD1 TRP A 88 -7.765 13.470 18.149 1.00 49.73 C ATOM 677 CD2 TRP A 88 -6.759 14.520 16.451 1.00 48.34 C ATOM 678 NE1 TRP A 88 -8.292 14.725 18.058 1.00 49.61 N ATOM 679 CE2 TRP A 88 -7.695 15.396 17.032 1.00 45.22 C ATOM 680 CE3 TRP A 88 -5.990 14.973 15.376 1.00 49.75 C ATOM 681 CZ2 TRP A 88 -7.886 16.694 16.574 1.00 47.05 C ATOM 682 CZ3 TRP A 88 -6.185 16.256 14.916 1.00 51.15 C ATOM 683 CH2 TRP A 88 -7.117 17.104 15.510 1.00 48.09 C ATOM 684 HE1 TRP A 88 -9.035 15.110 18.676 1.00 0.00 H ATOM 685 H TRP A 88 -8.134 10.493 16.583 1.00 0.00 H ATOM 686 N THR A 89 -5.353 9.275 15.321 1.00 46.04 N ATOM 687 CA THR A 89 -4.406 8.354 14.697 1.00 46.36 C ATOM 688 C THR A 89 -4.581 8.414 13.178 1.00 47.29 C ATOM 689 O THR A 89 -3.607 8.430 12.443 1.00 45.71 O ATOM 690 CB THR A 89 -4.559 6.915 15.216 1.00 49.36 C ATOM 691 OG1 THR A 89 -4.309 6.981 16.618 1.00 49.04 O ATOM 692 CG2 THR A 89 -3.598 5.923 14.587 1.00 46.14 C ATOM 693 HG1 THR A 89 -4.966 7.588 17.041 1.00 0.00 H ATOM 694 H THR A 89 -6.029 8.920 16.027 1.00 0.00 H ATOM 695 N VAL A 90 -5.839 8.452 12.717 1.00 49.02 N ATOM 696 CA VAL A 90 -6.114 8.393 11.290 1.00 48.67 C ATOM 697 C VAL A 90 -5.686 9.720 10.639 1.00 51.42 C ATOM 698 O VAL A 90 -4.992 9.735 9.606 1.00 54.55 O ATOM 699 CB VAL A 90 -7.584 8.021 11.020 1.00 45.10 C ATOM 700 CG1 VAL A 90 -7.954 8.176 9.558 1.00 51.91 C ATOM 701 CG2 VAL A 90 -7.901 6.605 11.466 1.00 48.99 C ATOM 702 H VAL A 90 -6.629 8.525 13.389 1.00 0.00 H ATOM 703 N VAL A 91 -6.071 10.835 11.265 1.00 54.49 N ATOM 704 CA VAL A 91 -5.687 12.172 10.804 1.00 51.27 C ATOM 705 C VAL A 91 -4.155 12.301 10.722 1.00 49.62 C ATOM 706 O VAL A 91 -3.630 12.689 9.681 1.00 49.36 O ATOM 707 CB VAL A 91 -6.313 13.259 11.697 1.00 53.82 C ATOM 708 CG1 VAL A 91 -5.661 14.615 11.468 1.00 54.99 C ATOM 709 CG2 VAL A 91 -7.827 13.340 11.498 1.00 49.87 C ATOM 710 H VAL A 91 -6.667 10.751 12.113 1.00 0.00 H ATOM 711 N ASN A 92 -3.435 11.945 11.789 1.00 52.80 N ATOM 712 CA ASN A 92 -1.961 12.051 11.802 1.00 65.51 C ATOM 713 C ASN A 92 -1.359 11.241 10.651 1.00 70.19 C ATOM 714 O ASN A 92 -0.434 11.704 9.961 1.00 67.73 O ATOM 715 CB ASN A 92 -1.326 11.552 13.099 1.00 70.61 C ATOM 716 CG ASN A 92 -1.430 12.558 14.226 1.00 81.21 C ATOM 717 OD1 ASN A 92 -2.368 13.353 14.291 1.00 80.41 O ATOM 718 ND2 ASN A 92 -0.465 12.524 15.127 1.00 95.16 N ATOM 719 HD22 ASN A 92 0.309 11.836 15.034 1.00 0.00 H ATOM 720 HD21 ASN A 92 -0.479 13.185 15.930 1.00 0.00 H ATOM 721 H ASN A 92 -3.924 11.584 12.633 1.00 0.00 H ATOM 722 N SER A 93 -1.885 10.026 10.469 1.00 65.90 N ATOM 723 CA SER A 93 -1.373 9.090 9.494 1.00 64.15 C ATOM 724 C SER A 93 -1.598 9.650 8.083 1.00 58.21 C ATOM 725 O SER A 93 -0.728 9.575 7.212 1.00 57.67 O ATOM 726 CB SER A 93 -2.002 7.736 9.694 1.00 66.37 C ATOM 727 OG SER A 93 -1.466 6.796 8.782 1.00 73.64 O ATOM 728 HG SER A 93 -1.892 5.915 8.930 1.00 0.00 H ATOM 729 H SER A 93 -2.697 9.742 11.054 1.00 0.00 H ATOM 730 N ILE A 94 -2.754 10.268 7.875 1.00 52.84 N ATOM 731 CA ILE A 94 -3.009 10.920 6.596 1.00 56.69 C ATOM 732 C ILE A 94 -2.015 12.073 6.395 1.00 54.58 C ATOM 733 O ILE A 94 -1.489 12.232 5.291 1.00 54.95 O ATOM 734 CB ILE A 94 -4.473 11.390 6.475 1.00 53.90 C ATOM 735 CG1 ILE A 94 -5.411 10.190 6.335 1.00 54.16 C ATOM 736 CG2 ILE A 94 -4.638 12.360 5.314 1.00 54.16 C ATOM 737 CD1 ILE A 94 -6.823 10.465 6.756 1.00 55.48 C ATOM 738 H ILE A 94 -3.477 10.287 8.623 1.00 0.00 H ATOM 739 N CYS A 95 -1.788 12.876 7.443 1.00 51.78 N ATOM 740 CA CYS A 95 -0.944 14.077 7.343 1.00 60.07 C ATOM 741 C CYS A 95 0.497 13.665 6.989 1.00 65.43 C ATOM 742 O CYS A 95 1.057 14.172 6.006 1.00 68.22 O ATOM 743 CB CYS A 95 -1.045 14.922 8.612 1.00 62.62 C ATOM 744 SG CYS A 95 -2.648 15.763 8.781 1.00 64.94 S ATOM 745 H CYS A 95 -2.223 12.643 8.358 1.00 0.00 H ATOM 746 N ASN A 96 1.043 12.680 7.718 1.00 61.68 N ATOM 747 CA ASN A 96 2.423 12.208 7.545 1.00 65.67 C ATOM 748 C ASN A 96 2.679 11.694 6.123 1.00 65.37 C ATOM 749 O ASN A 96 3.771 11.893 5.584 1.00 77.47 O ATOM 750 CB ASN A 96 2.789 11.121 8.551 1.00 69.59 C ATOM 751 CG ASN A 96 2.766 11.615 9.980 1.00 72.13 C ATOM 752 OD1 ASN A 96 2.874 12.813 10.235 1.00 77.63 O ATOM 753 ND2 ASN A 96 2.617 10.700 10.922 1.00 76.19 N ATOM 754 HD22 ASN A 96 2.529 9.697 10.663 1.00 0.00 H ATOM 755 HD21 ASN A 96 2.588 10.983 11.922 1.00 0.00 H ATOM 756 H ASN A 96 0.456 12.225 8.446 1.00 0.00 H ATOM 757 N THR A 97 1.687 11.053 5.508 1.00 64.89 N ATOM 758 CA THR A 97 1.913 10.382 4.238 1.00 66.88 C ATOM 759 C THR A 97 1.555 11.285 3.043 1.00 65.37 C ATOM 760 O THR A 97 2.053 11.053 1.950 1.00 68.96 O ATOM 761 CB THR A 97 1.186 9.033 4.203 1.00 68.35 C ATOM 762 OG1 THR A 97 -0.212 9.262 4.032 1.00 71.45 O ATOM 763 CG2 THR A 97 1.428 8.213 5.452 1.00 68.84 C ATOM 764 HG1 THR A 97 -0.551 9.805 4.787 1.00 0.00 H ATOM 765 H THR A 97 0.741 11.032 5.940 1.00 0.00 H ATOM 766 N THR A 98 0.715 12.308 3.241 1.00 69.14 N ATOM 767 CA THR A 98 0.278 13.199 2.136 1.00 68.17 C ATOM 768 C THR A 98 0.954 14.580 2.209 1.00 66.80 C ATOM 769 O THR A 98 1.181 15.219 1.174 1.00 74.41 O ATOM 770 CB THR A 98 -1.244 13.342 2.129 1.00 63.53 C ATOM 771 OG1 THR A 98 -1.607 13.799 3.433 1.00 58.65 O ATOM 772 CG2 THR A 98 -1.934 12.041 1.783 1.00 62.59 C ATOM 773 HG1 THR A 98 -1.314 13.136 4.107 1.00 0.00 H ATOM 774 H THR A 98 0.356 12.485 4.201 1.00 0.00 H ATOM 775 N GLY A 99 1.260 15.038 3.426 1.00 66.31 N ATOM 776 CA GLY A 99 1.858 16.335 3.668 1.00 66.62 C ATOM 777 C GLY A 99 0.823 17.391 4.030 1.00 77.05 C ATOM 778 O GLY A 99 1.209 18.510 4.405 1.00 79.11 O ATOM 779 H GLY A 99 1.058 14.430 4.245 1.00 0.00 H ATOM 780 N VAL A 100 -0.477 17.039 3.945 1.00 71.39 N ATOM 781 CA VAL A 100 -1.565 18.002 4.142 1.00 65.75 C ATOM 782 C VAL A 100 -1.534 18.479 5.597 1.00 59.89 C ATOM 783 O VAL A 100 -1.273 17.717 6.517 1.00 55.18 O ATOM 784 CB VAL A 100 -2.963 17.469 3.762 1.00 64.10 C ATOM 785 CG1 VAL A 100 -2.971 16.665 2.471 1.00 61.27 C ATOM 786 CG2 VAL A 100 -3.598 16.673 4.880 1.00 71.10 C ATOM 787 H VAL A 100 -0.716 16.049 3.732 1.00 0.00 H ATOM 788 N GLU A 101 -1.808 19.773 5.765 1.00 63.20 N ATOM 789 CA GLU A 101 -1.916 20.447 7.045 1.00 64.73 C ATOM 790 C GLU A 101 -2.881 19.683 7.956 1.00 59.88 C ATOM 791 O GLU A 101 -3.894 19.158 7.522 1.00 58.06 O ATOM 792 CB GLU A 101 -2.402 21.884 6.827 1.00 74.31 C ATOM 793 CG GLU A 101 -2.286 22.790 8.045 1.00 80.30 C ATOM 794 CD GLU A 101 -2.702 24.229 7.774 1.00 85.95 C ATOM 795 OE1 GLU A 101 -3.860 24.592 8.136 1.00 75.65 O ATOM 796 OE2 GLU A 101 -1.877 24.983 7.187 1.00 76.12 O ATOM 797 H GLU A 101 -1.956 20.345 4.909 1.00 0.00 H ATOM 798 N LYS A 102 -2.528 19.675 9.234 1.00 58.07 N ATOM 799 CA LYS A 102 -3.219 18.993 10.289 1.00 62.91 C ATOM 800 C LYS A 102 -4.334 19.897 10.795 1.00 63.30 C ATOM 801 O LYS A 102 -4.059 20.975 11.300 1.00 60.51 O ATOM 802 CB LYS A 102 -2.196 18.715 11.391 1.00 62.82 C ATOM 803 CG LYS A 102 -2.595 17.727 12.468 1.00 69.82 C ATOM 804 CD LYS A 102 -1.395 16.937 12.939 1.00 73.29 C ATOM 805 CE LYS A 102 -1.378 16.704 14.433 1.00 78.37 C ATOM 806 NZ LYS A 102 -0.093 16.096 14.850 1.00 78.93 N ATOM 807 HZ1 LYS A 102 0.032 15.185 14.364 1.00 0.00 H ATOM 808 HZ2 LYS A 102 0.689 16.734 14.599 1.00 0.00 H ATOM 809 HZ3 LYS A 102 -0.101 15.944 15.879 1.00 0.00 H ATOM 810 H LYS A 102 -1.675 20.210 9.494 1.00 0.00 H ATOM 811 N PRO A 103 -5.618 19.502 10.703 1.00 65.55 N ATOM 812 CA PRO A 103 -6.705 20.372 11.148 1.00 65.95 C ATOM 813 C PRO A 103 -6.708 20.474 12.680 1.00 63.66 C ATOM 814 O PRO A 103 -6.250 19.553 13.348 1.00 65.09 O ATOM 815 CB PRO A 103 -7.947 19.646 10.613 1.00 66.14 C ATOM 816 CG PRO A 103 -7.551 18.183 10.679 1.00 63.83 C ATOM 817 CD PRO A 103 -6.098 18.188 10.245 1.00 65.30 C ATOM 818 N LYS A 104 -7.215 21.594 13.204 1.00 64.13 N ATOM 819 CA LYS A 104 -7.332 21.838 14.637 1.00 66.84 C ATOM 820 C LYS A 104 -8.456 20.987 15.217 1.00 59.90 C ATOM 821 O LYS A 104 -8.375 20.537 16.349 1.00 69.73 O ATOM 822 CB LYS A 104 -7.697 23.294 14.941 1.00 75.77 C ATOM 823 CG LYS A 104 -6.568 24.304 14.827 1.00 87.21 C ATOM 824 CD LYS A 104 -7.083 25.736 14.800 1.00 98.42 C ATOM 825 CE LYS A 104 -7.732 26.125 13.482 1.00 98.42 C ATOM 826 NZ LYS A 104 -6.719 26.482 12.460 1.00 93.60 N ATOM 827 HZ1 LYS A 104 -6.155 27.287 12.799 1.00 0.00 H ATOM 828 HZ2 LYS A 104 -6.096 25.667 12.292 1.00 0.00 H ATOM 829 HZ3 LYS A 104 -7.198 26.742 11.574 1.00 0.00 H ATOM 830 H LYS A 104 -7.545 22.334 12.552 1.00 0.00 H ATOM 831 N PHE A 105 -9.532 20.854 14.442 1.00 59.62 N ATOM 832 CA PHE A 105 -10.712 20.081 14.800 1.00 57.04 C ATOM 833 C PHE A 105 -10.757 18.813 13.937 1.00 51.55 C ATOM 834 O PHE A 105 -10.372 18.804 12.774 1.00 48.35 O ATOM 835 CB PHE A 105 -11.990 20.903 14.595 1.00 69.70 C ATOM 836 CG PHE A 105 -12.078 22.194 15.379 1.00 82.39 C ATOM 837 CD1 PHE A 105 -11.328 23.309 15.013 1.00 90.56 C ATOM 838 CD2 PHE A 105 -12.936 22.311 16.466 1.00 87.28 C ATOM 839 CE1 PHE A 105 -11.413 24.495 15.732 1.00 91.79 C ATOM 840 CE2 PHE A 105 -13.028 23.500 17.178 1.00 88.79 C ATOM 841 CZ PHE A 105 -12.268 24.589 16.810 1.00 93.68 C ATOM 842 H PHE A 105 -9.528 21.335 13.520 1.00 0.00 H ATOM 843 N LEU A 106 -11.242 17.734 14.531 1.00 47.40 N ATOM 844 CA LEU A 106 -11.494 16.530 13.816 1.00 44.21 C ATOM 845 C LEU A 106 -12.512 16.802 12.718 1.00 39.41 C ATOM 846 O LEU A 106 -13.659 17.131 12.985 1.00 42.96 O ATOM 847 CB LEU A 106 -12.011 15.482 14.801 1.00 42.53 C ATOM 848 CG LEU A 106 -10.934 14.799 15.631 1.00 45.20 C ATOM 849 CD1 LEU A 106 -11.544 13.696 16.482 1.00 44.31 C ATOM 850 CD2 LEU A 106 -9.835 14.231 14.736 1.00 46.03 C ATOM 851 H LEU A 106 -11.445 17.767 15.550 1.00 0.00 H ATOM 852 N PRO A 107 -12.159 16.631 11.432 1.00 39.93 N ATOM 853 CA PRO A 107 -13.167 16.658 10.378 1.00 38.09 C ATOM 854 C PRO A 107 -13.871 15.297 10.350 1.00 37.33 C ATOM 855 O PRO A 107 -13.642 14.460 11.224 1.00 34.75 O ATOM 856 CB PRO A 107 -12.341 17.004 9.131 1.00 39.60 C ATOM 857 CG PRO A 107 -10.971 16.462 9.414 1.00 40.17 C ATOM 858 CD PRO A 107 -10.805 16.409 10.917 1.00 39.15 C ATOM 859 N ASP A 108 -14.709 15.109 9.335 1.00 40.38 N ATOM 860 CA ASP A 108 -15.589 13.959 9.176 1.00 46.11 C ATOM 861 C ASP A 108 -15.001 12.879 8.246 1.00 45.09 C ATOM 862 O ASP A 108 -15.159 11.701 8.532 1.00 45.36 O ATOM 863 CB ASP A 108 -16.926 14.435 8.630 1.00 42.84 C ATOM 864 CG ASP A 108 -17.733 15.127 9.702 1.00 47.16 C ATOM 865 OD1 ASP A 108 -17.734 14.629 10.849 1.00 45.76 O ATOM 866 OD2 ASP A 108 -18.379 16.121 9.373 1.00 44.78 O ATOM 867 H ASP A 108 -14.739 15.841 8.596 1.00 0.00 H ATOM 868 N LEU A 109 -14.420 13.284 7.110 1.00 50.22 N ATOM 869 CA LEU A 109 -13.809 12.355 6.128 1.00 53.46 C ATOM 870 C LEU A 109 -12.477 12.931 5.635 1.00 53.67 C ATOM 871 O LEU A 109 -12.209 14.117 5.809 1.00 52.90 O ATOM 872 CB LEU A 109 -14.728 12.147 4.912 1.00 51.92 C ATOM 873 CG LEU A 109 -16.195 11.806 5.181 1.00 55.58 C ATOM 874 CD1 LEU A 109 -17.029 11.954 3.921 1.00 59.70 C ATOM 875 CD2 LEU A 109 -16.349 10.401 5.719 1.00 57.39 C ATOM 876 H LEU A 109 -14.396 14.303 6.905 1.00 0.00 H ATOM 877 N TYR A 110 -11.686 12.080 4.961 1.00 54.57 N ATOM 878 CA TYR A 110 -10.611 12.527 4.060 1.00 51.00 C ATOM 879 C TYR A 110 -10.912 12.001 2.649 1.00 50.76 C ATOM 880 O TYR A 110 -11.420 10.889 2.485 1.00 51.52 O ATOM 881 CB TYR A 110 -9.247 12.092 4.601 1.00 50.61 C ATOM 882 CG TYR A 110 -8.089 12.571 3.768 1.00 56.46 C ATOM 883 CD1 TYR A 110 -7.617 13.868 3.871 1.00 57.66 C ATOM 884 CD2 TYR A 110 -7.465 11.731 2.859 1.00 57.92 C ATOM 885 CE1 TYR A 110 -6.554 14.320 3.105 1.00 58.66 C ATOM 886 CE2 TYR A 110 -6.415 12.172 2.071 1.00 58.95 C ATOM 887 CZ TYR A 110 -5.944 13.468 2.201 1.00 59.68 C ATOM 888 OH TYR A 110 -4.892 13.901 1.434 1.00 63.83 O ATOM 889 HH TYR A 110 -4.690 14.844 1.656 1.00 0.00 H ATOM 890 H TYR A 110 -11.840 11.059 5.081 1.00 0.00 H ATOM 891 N ASP A 111 -10.647 12.843 1.644 1.00 45.62 N ATOM 892 CA ASP A 111 -10.848 12.534 0.230 1.00 51.65 C ATOM 893 C ASP A 111 -9.465 12.286 -0.393 1.00 56.08 C ATOM 894 O ASP A 111 -8.680 13.230 -0.548 1.00 51.97 O ATOM 895 CB ASP A 111 -11.606 13.675 -0.463 1.00 46.95 C ATOM 896 CG ASP A 111 -12.024 13.411 -1.903 1.00 49.34 C ATOM 897 OD1 ASP A 111 -11.432 12.512 -2.543 1.00 48.55 O ATOM 898 OD2 ASP A 111 -12.933 14.131 -2.396 1.00 48.60 O ATOM 899 H ASP A 111 -10.272 13.782 1.886 1.00 0.00 H ATOM 900 N TYR A 112 -9.162 11.020 -0.719 1.00 62.52 N ATOM 901 CA TYR A 112 -7.848 10.632 -1.276 1.00 59.02 C ATOM 902 C TYR A 112 -7.715 11.032 -2.754 1.00 55.87 C ATOM 903 O TYR A 112 -6.602 11.089 -3.280 1.00 69.84 O ATOM 904 CB TYR A 112 -7.621 9.126 -1.177 1.00 60.44 C ATOM 905 CG TYR A 112 -7.404 8.585 0.209 1.00 49.53 C ATOM 906 CD1 TYR A 112 -6.223 8.803 0.895 1.00 47.68 C ATOM 907 CD2 TYR A 112 -8.353 7.768 0.793 1.00 48.91 C ATOM 908 CE1 TYR A 112 -6.023 8.285 2.164 1.00 42.34 C ATOM 909 CE2 TYR A 112 -8.164 7.234 2.053 1.00 43.29 C ATOM 910 CZ TYR A 112 -7.004 7.503 2.743 1.00 42.64 C ATOM 911 OH TYR A 112 -6.860 6.947 3.986 1.00 51.34 O ATOM 912 HH TYR A 112 -7.592 7.262 4.574 1.00 0.00 H ATOM 913 H TYR A 112 -9.880 10.282 -0.574 1.00 0.00 H ATOM 914 N LYS A 113 -8.838 11.297 -3.421 1.00 55.95 N ATOM 915 CA LYS A 113 -8.824 11.756 -4.792 1.00 57.37 C ATOM 916 C LYS A 113 -8.462 13.241 -4.841 1.00 60.49 C ATOM 917 O LYS A 113 -7.581 13.633 -5.582 1.00 61.70 O ATOM 918 CB LYS A 113 -10.177 11.541 -5.466 1.00 61.69 C ATOM 919 CG LYS A 113 -10.244 12.066 -6.890 1.00 67.69 C ATOM 920 CD LYS A 113 -11.521 11.731 -7.608 1.00 70.32 C ATOM 921 CE LYS A 113 -11.656 12.512 -8.896 1.00 76.06 C ATOM 922 NZ LYS A 113 -12.960 12.257 -9.548 1.00 78.81 N ATOM 923 HZ1 LYS A 113 -13.045 11.244 -9.765 1.00 0.00 H ATOM 924 HZ2 LYS A 113 -13.728 12.541 -8.907 1.00 0.00 H ATOM 925 HZ3 LYS A 113 -13.020 12.808 -10.428 1.00 0.00 H ATOM 926 H LYS A 113 -9.752 11.170 -2.941 1.00 0.00 H ATOM 927 N GLU A 114 -9.168 14.054 -4.052 1.00 64.68 N ATOM 928 CA GLU A 114 -8.954 15.507 -4.000 1.00 60.34 C ATOM 929 C GLU A 114 -7.874 15.868 -2.970 1.00 56.60 C ATOM 930 O GLU A 114 -7.484 17.020 -2.857 1.00 58.61 O ATOM 931 CB GLU A 114 -10.265 16.207 -3.646 1.00 61.20 C ATOM 932 CG GLU A 114 -11.393 15.865 -4.593 1.00 62.13 C ATOM 933 CD GLU A 114 -11.143 16.306 -6.023 1.00 72.11 C ATOM 934 OE1 GLU A 114 -10.282 17.203 -6.230 1.00 65.94 O ATOM 935 OE2 GLU A 114 -11.803 15.748 -6.930 1.00 80.14 O ATOM 936 H GLU A 114 -9.904 13.640 -3.445 1.00 0.00 H ATOM 937 N ASN A 115 -7.448 14.889 -2.169 1.00 55.76 N ATOM 938 CA ASN A 115 -6.378 15.065 -1.208 1.00 60.08 C ATOM 939 C ASN A 115 -6.729 16.235 -0.282 1.00 55.75 C ATOM 940 O ASN A 115 -6.039 17.231 -0.240 1.00 55.24 O ATOM 941 CB ASN A 115 -5.035 15.180 -1.935 1.00 65.90 C ATOM 942 CG ASN A 115 -4.753 13.956 -2.787 1.00 70.14 C ATOM 943 OD1 ASN A 115 -4.367 12.902 -2.272 1.00 75.94 O ATOM 944 ND2 ASN A 115 -4.978 14.072 -4.086 1.00 66.40 N ATOM 945 HD22 ASN A 115 -5.303 14.979 -4.479 1.00 0.00 H ATOM 946 HD21 ASN A 115 -4.830 13.256 -4.714 1.00 0.00 H ATOM 947 H ASN A 115 -7.905 13.957 -2.238 1.00 0.00 H ATOM 948 N ARG A 116 -7.824 16.074 0.464 1.00 51.85 N ATOM 949 CA ARG A 116 -8.333 17.100 1.377 1.00 52.00 C ATOM 950 C ARG A 116 -9.369 16.497 2.318 1.00 47.31 C ATOM 951 O ARG A 116 -10.161 15.653 1.902 1.00 43.01 O ATOM 952 CB ARG A 116 -9.025 18.243 0.629 1.00 48.63 C ATOM 953 CG ARG A 116 -10.361 17.891 -0.005 1.00 49.65 C ATOM 954 CD ARG A 116 -10.661 18.846 -1.144 1.00 48.31 C ATOM 955 NE ARG A 116 -11.958 18.586 -1.751 1.00 51.26 N ATOM 956 CZ ARG A 116 -12.329 19.064 -2.936 1.00 51.40 C ATOM 957 NH1 ARG A 116 -11.503 19.842 -3.615 1.00 55.11 N ATOM 958 NH2 ARG A 116 -13.507 18.764 -3.447 1.00 42.62 N ATOM 959 HE ARG A 116 -12.634 17.993 -1.229 1.00 0.00 H ATOM 960 HH12 ARG A 116 -11.787 20.219 -4.542 1.00 0.00 H ATOM 961 HH11 ARG A 116 -10.569 20.077 -3.222 1.00 0.00 H ATOM 962 HH22 ARG A 116 -13.784 19.145 -4.374 1.00 0.00 H ATOM 963 HH21 ARG A 116 -14.159 18.147 -2.923 1.00 0.00 H ATOM 964 H ARG A 116 -8.342 15.175 0.393 1.00 0.00 H ATOM 965 N PHE A 117 -9.372 16.991 3.555 1.00 46.20 N ATOM 966 CA PHE A 117 -10.414 16.693 4.530 1.00 49.05 C ATOM 967 C PHE A 117 -11.751 17.327 4.114 1.00 50.34 C ATOM 968 O PHE A 117 -11.798 18.297 3.343 1.00 52.11 O ATOM 969 CB PHE A 117 -9.968 17.150 5.914 1.00 51.21 C ATOM 970 CG PHE A 117 -8.738 16.445 6.422 1.00 51.71 C ATOM 971 CD1 PHE A 117 -8.819 15.162 6.940 1.00 51.86 C ATOM 972 CD2 PHE A 117 -7.498 17.053 6.362 1.00 51.75 C ATOM 973 CE1 PHE A 117 -7.689 14.522 7.419 1.00 52.36 C ATOM 974 CE2 PHE A 117 -6.370 16.405 6.835 1.00 51.76 C ATOM 975 CZ PHE A 117 -6.467 15.143 7.365 1.00 50.57 C ATOM 976 H PHE A 117 -8.594 17.620 3.839 1.00 0.00 H ATOM 977 N ILE A 118 -12.835 16.704 4.591 1.00 49.16 N ATOM 978 CA ILE A 118 -14.204 17.180 4.435 1.00 49.68 C ATOM 979 C ILE A 118 -14.819 17.316 5.827 1.00 47.07 C ATOM 980 O ILE A 118 -14.687 16.422 6.647 1.00 45.67 O ATOM 981 CB ILE A 118 -15.062 16.227 3.575 1.00 49.70 C ATOM 982 CG1 ILE A 118 -14.469 16.009 2.182 1.00 52.21 C ATOM 983 CG2 ILE A 118 -16.498 16.721 3.499 1.00 46.37 C ATOM 984 CD1 ILE A 118 -15.006 14.771 1.487 1.00 55.14 C ATOM 985 H ILE A 118 -12.690 15.815 5.111 1.00 0.00 H ATOM 986 N GLU A 119 -15.481 18.451 6.054 1.00 46.90 N ATOM 987 CA GLU A 119 -16.433 18.630 7.125 1.00 44.38 C ATOM 988 C GLU A 119 -17.842 18.504 6.536 1.00 40.65 C ATOM 989 O GLU A 119 -18.202 19.236 5.641 1.00 37.04 O ATOM 990 CB GLU A 119 -16.243 20.005 7.775 1.00 46.02 C ATOM 991 CG GLU A 119 -17.261 20.303 8.863 1.00 43.38 C ATOM 992 CD GLU A 119 -17.388 19.222 9.911 1.00 42.00 C ATOM 993 OE1 GLU A 119 -16.362 18.636 10.269 1.00 45.98 O ATOM 994 OE2 GLU A 119 -18.516 18.962 10.349 1.00 41.81 O ATOM 995 H GLU A 119 -15.301 19.256 5.421 1.00 0.00 H ATOM 996 N ILE A 120 -18.631 17.573 7.073 1.00 40.68 N ATOM 997 CA ILE A 120 -19.994 17.368 6.646 1.00 40.70 C ATOM 998 C ILE A 120 -20.927 18.116 7.598 1.00 39.80 C ATOM 999 O ILE A 120 -20.863 17.876 8.811 1.00 38.83 O ATOM 1000 CB ILE A 120 -20.348 15.869 6.641 1.00 43.93 C ATOM 1001 CG1 ILE A 120 -19.394 15.041 5.776 1.00 48.09 C ATOM 1002 CG2 ILE A 120 -21.799 15.693 6.232 1.00 41.19 C ATOM 1003 CD1 ILE A 120 -19.641 15.196 4.303 1.00 54.18 C ATOM 1004 H ILE A 120 -18.249 16.971 7.830 1.00 0.00 H ATOM 1005 N GLY A 121 -21.826 18.945 7.044 1.00 38.26 N ATOM 1006 CA GLY A 121 -22.862 19.598 7.841 1.00 42.04 C ATOM 1007 C GLY A 121 -24.252 19.119 7.473 1.00 41.24 C ATOM 1008 O GLY A 121 -24.549 18.983 6.310 1.00 43.12 O ATOM 1009 H GLY A 121 -21.784 19.127 6.021 1.00 0.00 H ATOM 1010 N VAL A 122 -25.086 18.831 8.480 1.00 39.64 N ATOM 1011 CA VAL A 122 -26.508 18.608 8.267 1.00 41.30 C ATOM 1012 C VAL A 122 -27.280 19.611 9.132 1.00 41.11 C ATOM 1013 O VAL A 122 -27.044 19.647 10.337 1.00 37.93 O ATOM 1014 CB VAL A 122 -26.934 17.166 8.591 1.00 42.32 C ATOM 1015 CG1 VAL A 122 -28.421 16.950 8.316 1.00 42.97 C ATOM 1016 CG2 VAL A 122 -26.086 16.163 7.831 1.00 44.04 C ATOM 1017 H VAL A 122 -24.705 18.765 9.445 1.00 0.00 H ATOM 1018 N THR A 123 -28.201 20.373 8.515 1.00 42.25 N ATOM 1019 CA THR A 123 -28.861 21.527 9.155 1.00 44.50 C ATOM 1020 C THR A 123 -30.388 21.467 8.978 1.00 44.40 C ATOM 1021 O THR A 123 -30.886 21.130 7.930 1.00 41.57 O ATOM 1022 CB THR A 123 -28.280 22.855 8.629 1.00 45.55 C ATOM 1023 OG1 THR A 123 -28.838 23.926 9.395 1.00 46.96 O ATOM 1024 CG2 THR A 123 -28.540 23.108 7.156 1.00 44.91 C ATOM 1025 HG1 THR A 123 -28.601 23.806 10.349 1.00 0.00 H ATOM 1026 H THR A 123 -28.461 20.136 7.536 1.00 0.00 H ATOM 1027 N ARG A 124 -31.117 21.870 10.024 1.00 46.54 N ATOM 1028 CA ARG A 124 -32.551 22.127 9.963 1.00 45.60 C ATOM 1029 C ARG A 124 -32.819 23.552 9.460 1.00 45.53 C ATOM 1030 O ARG A 124 -33.948 23.850 9.089 1.00 47.00 O ATOM 1031 CB ARG A 124 -33.218 21.922 11.329 1.00 48.80 C ATOM 1032 CG ARG A 124 -33.261 20.469 11.776 1.00 51.13 C ATOM 1033 CD ARG A 124 -32.019 20.057 12.539 1.00 49.12 C ATOM 1034 NE ARG A 124 -32.246 19.959 13.963 1.00 48.11 N ATOM 1035 CZ ARG A 124 -31.282 19.767 14.845 1.00 46.19 C ATOM 1036 NH1 ARG A 124 -30.069 19.487 14.420 1.00 39.56 N ATOM 1037 NH2 ARG A 124 -31.515 19.902 16.141 1.00 56.84 N ATOM 1038 HE ARG A 124 -33.222 20.044 14.312 1.00 0.00 H ATOM 1039 HH12 ARG A 124 -29.301 19.334 15.104 1.00 0.00 H ATOM 1040 HH11 ARG A 124 -29.878 19.419 13.400 1.00 0.00 H ATOM 1041 HH22 ARG A 124 -30.748 19.748 16.826 1.00 0.00 H ATOM 1042 HH21 ARG A 124 -32.465 20.162 16.474 1.00 0.00 H ATOM 1043 H ARG A 124 -30.633 22.008 10.934 1.00 0.00 H ATOM 1044 N ARG A 125 -31.786 24.403 9.431 1.00 48.89 N ATOM 1045 CA ARG A 125 -31.873 25.813 8.975 1.00 46.35 C ATOM 1046 C ARG A 125 -31.459 25.916 7.500 1.00 54.25 C ATOM 1047 O ARG A 125 -31.333 24.916 6.804 1.00 63.59 O ATOM 1048 CB ARG A 125 -30.964 26.662 9.858 1.00 45.24 C ATOM 1049 CG ARG A 125 -31.425 26.740 11.310 1.00 47.45 C ATOM 1050 CD ARG A 125 -30.412 27.462 12.174 1.00 48.92 C ATOM 1051 NE ARG A 125 -29.196 26.685 12.382 1.00 48.99 N ATOM 1052 CZ ARG A 125 -27.996 27.209 12.655 1.00 54.52 C ATOM 1053 NH1 ARG A 125 -27.854 28.518 12.813 1.00 49.01 N ATOM 1054 NH2 ARG A 125 -26.932 26.422 12.727 1.00 52.23 N ATOM 1055 HE ARG A 125 -29.267 25.650 12.313 1.00 0.00 H ATOM 1056 HH12 ARG A 125 -26.918 28.918 13.025 1.00 0.00 H ATOM 1057 HH11 ARG A 125 -28.679 29.145 12.725 1.00 0.00 H ATOM 1058 HH22 ARG A 125 -25.998 26.828 12.939 1.00 0.00 H ATOM 1059 HH21 ARG A 125 -27.031 25.398 12.571 1.00 0.00 H ATOM 1060 H ARG A 125 -30.860 24.053 9.749 1.00 0.00 H ATOM 1061 N GLU A 126 -31.227 27.138 7.032 1.00 57.94 N ATOM 1062 CA GLU A 126 -30.817 27.397 5.664 1.00 58.18 C ATOM 1063 C GLU A 126 -29.359 26.961 5.512 1.00 53.55 C ATOM 1064 O GLU A 126 -28.561 27.170 6.419 1.00 47.54 O ATOM 1065 CB GLU A 126 -30.976 28.885 5.336 1.00 66.71 C ATOM 1066 CG GLU A 126 -32.401 29.414 5.449 1.00 70.26 C ATOM 1067 CD GLU A 126 -33.203 29.432 4.155 1.00 77.57 C ATOM 1068 OE1 GLU A 126 -34.349 29.909 4.187 1.00 83.67 O ATOM 1069 OE2 GLU A 126 -32.686 28.983 3.114 1.00 81.75 O ATOM 1070 H GLU A 126 -31.345 27.946 7.676 1.00 0.00 H ATOM 1071 N VAL A 127 -29.012 26.404 4.342 1.00 47.77 N ATOM 1072 CA VAL A 127 -27.670 25.835 4.126 1.00 48.21 C ATOM 1073 C VAL A 127 -26.566 26.917 4.176 1.00 49.06 C ATOM 1074 O VAL A 127 -25.437 26.618 4.616 1.00 45.50 O ATOM 1075 CB VAL A 127 -27.604 24.996 2.828 1.00 48.56 C ATOM 1076 CG1 VAL A 127 -28.421 23.709 2.934 1.00 45.53 C ATOM 1077 CG2 VAL A 127 -28.026 25.786 1.600 1.00 47.21 C ATOM 1078 H VAL A 127 -29.707 26.373 3.569 1.00 0.00 H ATOM 1079 N HIS A 128 -26.854 28.143 3.718 1.00 45.41 N ATOM 1080 CA HIS A 128 -25.857 29.225 3.685 1.00 51.98 C ATOM 1081 C HIS A 128 -25.504 29.633 5.118 1.00 49.70 C ATOM 1082 O HIS A 128 -24.334 29.812 5.440 1.00 45.71 O ATOM 1083 CB HIS A 128 -26.309 30.403 2.792 1.00 62.22 C ATOM 1084 CG HIS A 128 -27.407 31.244 3.348 1.00 69.97 C ATOM 1085 ND1 HIS A 128 -28.747 30.941 3.148 1.00 81.23 N ATOM 1086 CD2 HIS A 128 -27.380 32.374 4.089 1.00 75.80 C ATOM 1087 CE1 HIS A 128 -29.497 31.843 3.752 1.00 72.75 C ATOM 1088 NE2 HIS A 128 -28.682 32.728 4.339 1.00 81.62 N ATOM 1089 H HIS A 128 -27.816 28.337 3.374 1.00 0.00 H ATOM 1090 N ILE A 129 -26.529 29.712 5.973 1.00 47.68 N ATOM 1091 CA ILE A 129 -26.378 30.029 7.383 1.00 51.51 C ATOM 1092 C ILE A 129 -25.456 29.004 8.059 1.00 52.43 C ATOM 1093 O ILE A 129 -24.525 29.399 8.796 1.00 50.05 O ATOM 1094 CB ILE A 129 -27.759 30.104 8.065 1.00 54.56 C ATOM 1095 CG1 ILE A 129 -28.497 31.389 7.671 1.00 61.32 C ATOM 1096 CG2 ILE A 129 -27.638 29.964 9.574 1.00 55.84 C ATOM 1097 CD1 ILE A 129 -29.909 31.475 8.211 1.00 64.74 C ATOM 1098 H ILE A 129 -27.487 29.537 5.609 1.00 0.00 H ATOM 1099 N TYR A 130 -25.727 27.706 7.844 1.00 49.51 N ATOM 1100 CA TYR A 130 -24.955 26.659 8.539 1.00 49.13 C ATOM 1101 C TYR A 130 -23.542 26.623 7.945 1.00 43.75 C ATOM 1102 O TYR A 130 -22.565 26.492 8.678 1.00 42.91 O ATOM 1103 CB TYR A 130 -25.677 25.305 8.532 1.00 52.18 C ATOM 1104 CG TYR A 130 -25.086 24.286 9.479 1.00 51.53 C ATOM 1105 CD1 TYR A 130 -24.972 24.543 10.840 1.00 53.24 C ATOM 1106 CD2 TYR A 130 -24.624 23.065 9.018 1.00 52.69 C ATOM 1107 CE1 TYR A 130 -24.398 23.633 11.717 1.00 55.02 C ATOM 1108 CE2 TYR A 130 -24.076 22.128 9.884 1.00 56.91 C ATOM 1109 CZ TYR A 130 -23.954 22.411 11.235 1.00 57.03 C ATOM 1110 OH TYR A 130 -23.396 21.485 12.069 1.00 51.88 O ATOM 1111 HH TYR A 130 -23.383 21.840 12.993 1.00 0.00 H ATOM 1112 H TYR A 130 -26.485 27.438 7.184 1.00 0.00 H ATOM 1113 N TYR A 131 -23.449 26.844 6.631 1.00 42.61 N ATOM 1114 CA TYR A 131 -22.191 26.889 5.943 1.00 47.53 C ATOM 1115 C TYR A 131 -21.257 27.931 6.583 1.00 49.90 C ATOM 1116 O TYR A 131 -20.082 27.647 6.840 1.00 49.10 O ATOM 1117 CB TYR A 131 -22.371 27.149 4.441 1.00 48.02 C ATOM 1118 CG TYR A 131 -21.048 27.151 3.719 1.00 51.82 C ATOM 1119 CD1 TYR A 131 -20.215 28.256 3.779 1.00 53.45 C ATOM 1120 CD2 TYR A 131 -20.575 26.021 3.070 1.00 49.54 C ATOM 1121 CE1 TYR A 131 -18.973 28.267 3.162 1.00 51.01 C ATOM 1122 CE2 TYR A 131 -19.324 26.005 2.471 1.00 49.81 C ATOM 1123 CZ TYR A 131 -18.526 27.135 2.512 1.00 51.24 C ATOM 1124 OH TYR A 131 -17.303 27.158 1.921 1.00 57.48 O ATOM 1125 HH TYR A 131 -16.888 28.047 2.058 1.00 0.00 H ATOM 1126 H TYR A 131 -24.322 26.989 6.086 1.00 0.00 H ATOM 1127 N LEU A 132 -21.756 29.151 6.803 1.00 51.72 N ATOM 1128 CA LEU A 132 -20.921 30.210 7.407 1.00 49.71 C ATOM 1129 C LEU A 132 -20.494 29.783 8.811 1.00 42.12 C ATOM 1130 O LEU A 132 -19.375 30.002 9.184 1.00 47.33 O ATOM 1131 CB LEU A 132 -21.706 31.527 7.445 1.00 51.18 C ATOM 1132 CG LEU A 132 -21.907 32.161 6.075 1.00 50.87 C ATOM 1133 CD1 LEU A 132 -23.081 33.112 6.081 1.00 54.27 C ATOM 1134 CD2 LEU A 132 -20.638 32.862 5.629 1.00 55.89 C ATOM 1135 H LEU A 132 -22.743 29.357 6.546 1.00 0.00 H ATOM 1136 N GLU A 133 -21.409 29.179 9.570 1.00 44.72 N ATOM 1137 CA GLU A 133 -21.112 28.721 10.925 1.00 48.22 C ATOM 1138 C GLU A 133 -19.910 27.766 10.898 1.00 49.67 C ATOM 1139 O GLU A 133 -19.000 27.889 11.714 1.00 51.30 O ATOM 1140 CB GLU A 133 -22.334 28.067 11.568 1.00 53.49 C ATOM 1141 CG GLU A 133 -23.201 29.004 12.401 1.00 59.50 C ATOM 1142 CD GLU A 133 -24.141 28.320 13.397 1.00 69.64 C ATOM 1143 OE1 GLU A 133 -24.037 27.080 13.587 1.00 67.98 O ATOM 1144 OE2 GLU A 133 -24.978 29.028 14.002 1.00 71.50 O ATOM 1145 H GLU A 133 -22.364 29.029 9.185 1.00 0.00 H ATOM 1146 N LYS A 134 -19.881 26.850 9.921 1.00 50.08 N ATOM 1147 CA LYS A 134 -18.804 25.863 9.806 1.00 50.41 C ATOM 1148 C LYS A 134 -17.487 26.510 9.387 1.00 50.58 C ATOM 1149 O LYS A 134 -16.435 26.185 9.937 1.00 50.38 O ATOM 1150 CB LYS A 134 -19.116 24.811 8.736 1.00 55.25 C ATOM 1151 CG LYS A 134 -20.037 23.696 9.192 1.00 56.73 C ATOM 1152 CD LYS A 134 -19.473 22.867 10.304 1.00 51.11 C ATOM 1153 CE LYS A 134 -20.452 21.809 10.755 1.00 53.02 C ATOM 1154 NZ LYS A 134 -19.839 20.932 11.777 1.00 53.49 N ATOM 1155 HZ1 LYS A 134 -19.001 20.466 11.375 1.00 0.00 H ATOM 1156 HZ2 LYS A 134 -19.558 21.504 12.599 1.00 0.00 H ATOM 1157 HZ3 LYS A 134 -20.529 20.212 12.073 1.00 0.00 H ATOM 1158 H LYS A 134 -20.649 26.839 9.220 1.00 0.00 H ATOM 1159 N ALA A 135 -17.555 27.339 8.342 1.00 56.22 N ATOM 1160 CA ALA A 135 -16.378 27.998 7.766 1.00 57.60 C ATOM 1161 C ALA A 135 -15.768 28.927 8.812 1.00 54.01 C ATOM 1162 O ALA A 135 -14.549 29.008 8.937 1.00 61.75 O ATOM 1163 CB ALA A 135 -16.753 28.755 6.513 1.00 55.98 C ATOM 1164 H ALA A 135 -18.486 27.526 7.917 1.00 0.00 H ATOM 1165 N ASN A 136 -16.639 29.593 9.575 1.00 54.38 N ATOM 1166 CA ASN A 136 -16.192 30.486 10.643 1.00 55.87 C ATOM 1167 C ASN A 136 -15.484 29.669 11.720 1.00 52.88 C ATOM 1168 O ASN A 136 -14.476 30.098 12.216 1.00 61.33 O ATOM 1169 CB ASN A 136 -17.318 31.306 11.276 1.00 52.92 C ATOM 1170 CG ASN A 136 -16.794 32.251 12.336 1.00 54.57 C ATOM 1171 OD1 ASN A 136 -17.282 32.239 13.458 1.00 53.39 O ATOM 1172 ND2 ASN A 136 -15.778 33.041 12.009 1.00 48.25 N ATOM 1173 HD22 ASN A 136 -15.393 33.020 11.043 1.00 0.00 H ATOM 1174 HD21 ASN A 136 -15.367 33.681 12.719 1.00 0.00 H ATOM 1175 H ASN A 136 -17.658 29.474 9.406 1.00 0.00 H ATOM 1176 N LYS A 137 -15.999 28.475 12.028 1.00 55.86 N ATOM 1177 CA LYS A 137 -15.429 27.647 13.092 1.00 61.70 C ATOM 1178 C LYS A 137 -14.050 27.089 12.708 1.00 55.20 C ATOM 1179 O LYS A 137 -13.251 26.860 13.590 1.00 52.07 O ATOM 1180 CB LYS A 137 -16.355 26.497 13.493 1.00 62.22 C ATOM 1181 CG LYS A 137 -15.984 25.842 14.816 1.00 68.59 C ATOM 1182 CD LYS A 137 -16.681 24.521 15.062 1.00 83.94 C ATOM 1183 CE LYS A 137 -16.581 24.051 16.499 1.00 88.94 C ATOM 1184 NZ LYS A 137 -17.298 22.769 16.697 1.00 89.75 N ATOM 1185 HZ1 LYS A 137 -18.302 22.895 16.458 1.00 0.00 H ATOM 1186 HZ2 LYS A 137 -16.882 22.042 16.081 1.00 0.00 H ATOM 1187 HZ3 LYS A 137 -17.211 22.474 17.691 1.00 0.00 H ATOM 1188 H LYS A 137 -16.824 28.126 11.499 1.00 0.00 H ATOM 1189 N ILE A 138 -13.760 26.904 11.416 1.00 61.46 N ATOM 1190 CA ILE A 138 -12.493 26.250 11.006 1.00 68.36 C ATOM 1191 C ILE A 138 -11.673 27.160 10.063 1.00 75.96 C ATOM 1192 O ILE A 138 -10.736 26.711 9.383 1.00 70.84 O ATOM 1193 CB ILE A 138 -12.816 24.857 10.418 1.00 68.20 C ATOM 1194 CG1 ILE A 138 -13.579 24.950 9.091 1.00 66.84 C ATOM 1195 CG2 ILE A 138 -13.557 24.004 11.453 1.00 61.96 C ATOM 1196 CD1 ILE A 138 -14.462 23.754 8.787 1.00 67.84 C ATOM 1197 H ILE A 138 -14.432 27.223 10.689 1.00 0.00 H ATOM 1198 N LYS A 139 -11.992 28.462 10.068 1.00 87.35 N ATOM 1199 CA LYS A 139 -11.189 29.521 9.434 1.00 84.98 C ATOM 1200 C LYS A 139 -9.701 29.158 9.492 1.00 80.78 C ATOM 1201 O LYS A 139 -8.944 29.456 8.571 1.00 83.27 O ATOM 1202 CB LYS A 139 -11.415 30.851 10.161 1.00 96.45 C ATOM 1203 CG LYS A 139 -10.855 30.907 11.582 1.00 99.58 C ATOM 1204 CD LYS A 139 -11.208 32.167 12.352 1.00 96.19 C ATOM 1205 CE LYS A 139 -12.629 32.163 12.870 1.00 94.67 C ATOM 1206 NZ LYS A 139 -12.928 33.354 13.698 1.00 95.68 N ATOM 1207 HZ1 LYS A 139 -12.286 33.376 14.516 1.00 0.00 H ATOM 1208 HZ2 LYS A 139 -12.795 34.213 13.128 1.00 0.00 H ATOM 1209 HZ3 LYS A 139 -13.913 33.306 14.030 1.00 0.00 H ATOM 1210 H LYS A 139 -12.868 28.744 10.553 1.00 0.00 H TER 1211 LYS A 139 ATOM 1212 N GLU A 141 -8.204 26.531 8.657 1.00 80.21 N ATOM 1213 CA GLU A 141 -8.061 25.232 7.979 1.00 81.50 C ATOM 1214 C GLU A 141 -8.367 25.386 6.480 1.00 78.98 C ATOM 1215 O GLU A 141 -9.033 26.341 6.074 1.00 74.88 O ATOM 1216 CB GLU A 141 -9.021 24.189 8.567 1.00 79.60 C ATOM 1217 CG GLU A 141 -8.785 23.810 10.033 1.00 75.71 C ATOM 1218 CD GLU A 141 -9.674 22.669 10.534 1.00 79.32 C ATOM 1219 OE1 GLU A 141 -9.847 22.538 11.781 1.00 71.11 O ATOM 1220 OE2 GLU A 141 -10.211 21.897 9.672 1.00 65.64 O ATOM 1221 HN3 GLU A 141 -9.178 26.877 8.539 1.00 0.00 H ATOM 1222 HN2 GLU A 141 -7.540 27.214 8.240 1.00 0.00 H ATOM 1223 HN1 GLU A 141 -7.995 26.417 9.669 1.00 0.00 H ATOM 1224 N LYS A 142 -7.911 24.407 5.684 1.00 77.61 N ATOM 1225 CA LYS A 142 -8.222 24.281 4.223 1.00 77.94 C ATOM 1226 C LYS A 142 -9.030 22.988 4.006 1.00 66.39 C ATOM 1227 O LYS A 142 -8.813 22.226 3.063 1.00 63.69 O ATOM 1228 CB LYS A 142 -6.947 24.350 3.369 1.00 84.22 C ATOM 1229 CG LYS A 142 -5.670 23.805 4.009 1.00 93.79 C ATOM 1230 CD LYS A 142 -4.397 24.238 3.289 1.00102.59 C ATOM 1231 CE LYS A 142 -3.122 23.691 3.905 1.00109.35 C ATOM 1232 NZ LYS A 142 -2.847 22.293 3.489 1.00111.63 N ATOM 1233 HZ1 LYS A 142 -3.635 21.683 3.786 1.00 0.00 H ATOM 1234 HZ2 LYS A 142 -2.747 22.254 2.455 1.00 0.00 H ATOM 1235 HZ3 LYS A 142 -1.967 21.966 3.936 1.00 0.00 H ATOM 1236 H LYS A 142 -7.298 23.684 6.111 1.00 0.00 H ATOM 1237 N THR A 143 -9.975 22.772 4.924 1.00 59.69 N ATOM 1238 CA THR A 143 -10.938 21.709 4.900 1.00 54.87 C ATOM 1239 C THR A 143 -12.089 22.063 3.962 1.00 54.47 C ATOM 1240 O THR A 143 -12.576 23.168 4.000 1.00 51.42 O ATOM 1241 CB THR A 143 -11.496 21.462 6.300 1.00 55.44 C ATOM 1242 OG1 THR A 143 -10.404 21.035 7.106 1.00 59.88 O ATOM 1243 CG2 THR A 143 -12.601 20.431 6.332 1.00 57.27 C ATOM 1244 HG1 THR A 143 -10.723 20.863 8.027 1.00 0.00 H ATOM 1245 H THR A 143 -10.017 23.432 5.727 1.00 0.00 H ATOM 1246 N HIS A 144 -12.519 21.087 3.143 1.00 53.14 N ATOM 1247 CA HIS A 144 -13.688 21.221 2.303 1.00 45.94 C ATOM 1248 C HIS A 144 -14.939 21.070 3.176 1.00 46.48 C ATOM 1249 O HIS A 144 -14.954 20.274 4.090 1.00 49.57 O ATOM 1250 CB HIS A 144 -13.617 20.211 1.153 1.00 50.08 C ATOM 1251 CG HIS A 144 -14.262 20.680 -0.104 1.00 50.13 C ATOM 1252 ND1 HIS A 144 -13.637 21.558 -0.969 1.00 52.92 N ATOM 1253 CD2 HIS A 144 -15.473 20.410 -0.637 1.00 50.18 C ATOM 1254 CE1 HIS A 144 -14.451 21.826 -1.979 1.00 55.47 C ATOM 1255 NE2 HIS A 144 -15.589 21.139 -1.796 1.00 51.88 N ATOM 1256 H HIS A 144 -11.986 20.194 3.112 1.00 0.00 H ATOM 1257 N ILE A 145 -15.996 21.819 2.847 1.00 47.65 N ATOM 1258 CA ILE A 145 -17.218 21.850 3.610 1.00 43.79 C ATOM 1259 C ILE A 145 -18.349 21.483 2.666 1.00 42.68 C ATOM 1260 O ILE A 145 -18.388 21.957 1.560 1.00 42.92 O ATOM 1261 CB ILE A 145 -17.468 23.209 4.284 1.00 43.64 C ATOM 1262 CG1 ILE A 145 -16.338 23.560 5.258 1.00 48.58 C ATOM 1263 CG2 ILE A 145 -18.810 23.196 4.991 1.00 41.40 C ATOM 1264 CD1 ILE A 145 -16.450 24.950 5.874 1.00 48.08 C ATOM 1265 H ILE A 145 -15.933 22.411 1.994 1.00 0.00 H ATOM 1266 N HIS A 146 -19.228 20.598 3.135 1.00 40.41 N ATOM 1267 CA HIS A 146 -20.386 20.176 2.391 1.00 42.25 C ATOM 1268 C HIS A 146 -21.522 20.095 3.403 1.00 42.69 C ATOM 1269 O HIS A 146 -21.450 19.319 4.389 1.00 42.82 O ATOM 1270 CB HIS A 146 -20.109 18.848 1.657 1.00 45.94 C ATOM 1271 CG HIS A 146 -21.051 18.523 0.537 1.00 39.75 C ATOM 1272 ND1 HIS A 146 -20.665 17.761 -0.560 1.00 40.28 N ATOM 1273 CD2 HIS A 146 -22.347 18.832 0.336 1.00 40.51 C ATOM 1274 CE1 HIS A 146 -21.699 17.602 -1.366 1.00 41.54 C ATOM 1275 NE2 HIS A 146 -22.733 18.267 -0.853 1.00 37.02 N ATOM 1276 H HIS A 146 -19.070 20.194 4.080 1.00 0.00 H ATOM 1277 N ILE A 147 -22.516 20.950 3.169 1.00 39.34 N ATOM 1278 CA ILE A 147 -23.684 21.117 3.980 1.00 39.94 C ATOM 1279 C ILE A 147 -24.878 20.508 3.245 1.00 41.51 C ATOM 1280 O ILE A 147 -25.095 20.821 2.053 1.00 43.06 O ATOM 1281 CB ILE A 147 -23.959 22.620 4.224 1.00 43.01 C ATOM 1282 CG1 ILE A 147 -22.759 23.360 4.828 1.00 42.07 C ATOM 1283 CG2 ILE A 147 -25.225 22.788 5.050 1.00 43.98 C ATOM 1284 CD1 ILE A 147 -22.160 22.732 6.057 1.00 42.05 C ATOM 1285 H ILE A 147 -22.437 21.549 2.323 1.00 0.00 H ATOM 1286 N PHE A 148 -25.682 19.726 3.976 1.00 38.79 N ATOM 1287 CA PHE A 148 -26.963 19.242 3.500 1.00 38.36 C ATOM 1288 C PHE A 148 -28.075 19.763 4.419 1.00 37.11 C ATOM 1289 O PHE A 148 -27.848 19.974 5.612 1.00 35.82 O ATOM 1290 CB PHE A 148 -26.997 17.710 3.489 1.00 41.65 C ATOM 1291 CG PHE A 148 -25.974 17.046 2.604 1.00 39.10 C ATOM 1292 CD1 PHE A 148 -24.734 16.686 3.102 1.00 36.03 C ATOM 1293 CD2 PHE A 148 -26.274 16.739 1.281 1.00 42.71 C ATOM 1294 CE1 PHE A 148 -23.803 16.065 2.285 1.00 40.67 C ATOM 1295 CE2 PHE A 148 -25.345 16.109 0.468 1.00 38.03 C ATOM 1296 CZ PHE A 148 -24.107 15.783 0.972 1.00 39.89 C ATOM 1297 H PHE A 148 -25.373 19.453 4.931 1.00 0.00 H ATOM 1298 N SER A 149 -29.267 19.975 3.851 1.00 38.33 N ATOM 1299 CA SER A 149 -30.457 20.306 4.623 1.00 42.50 C ATOM 1300 C SER A 149 -31.426 19.126 4.549 1.00 37.53 C ATOM 1301 O SER A 149 -31.157 18.199 3.894 1.00 39.26 O ATOM 1302 CB SER A 149 -31.094 21.570 4.125 1.00 44.19 C ATOM 1303 OG SER A 149 -31.805 21.329 2.917 1.00 41.43 O ATOM 1304 HG SER A 149 -32.218 22.173 2.604 1.00 0.00 H ATOM 1305 H SER A 149 -29.348 19.901 2.817 1.00 0.00 H ATOM 1306 N PHE A 150 -32.561 19.224 5.230 1.00 42.24 N ATOM 1307 CA PHE A 150 -33.651 18.264 5.158 1.00 40.01 C ATOM 1308 C PHE A 150 -34.632 18.665 4.059 1.00 39.54 C ATOM 1309 O PHE A 150 -35.693 18.089 3.965 1.00 48.55 O ATOM 1310 CB PHE A 150 -34.348 18.168 6.517 1.00 40.02 C ATOM 1311 CG PHE A 150 -33.457 17.623 7.605 1.00 39.01 C ATOM 1312 CD1 PHE A 150 -32.507 18.429 8.201 1.00 33.16 C ATOM 1313 CD2 PHE A 150 -33.517 16.284 7.970 1.00 35.95 C ATOM 1314 CE1 PHE A 150 -31.678 17.929 9.186 1.00 33.77 C ATOM 1315 CE2 PHE A 150 -32.691 15.786 8.963 1.00 35.11 C ATOM 1316 CZ PHE A 150 -31.778 16.608 9.572 1.00 37.04 C ATOM 1317 H PHE A 150 -32.679 20.044 5.859 1.00 0.00 H ATOM 1318 N THR A 151 -34.229 19.588 3.186 1.00 41.82 N ATOM 1319 CA THR A 151 -35.115 20.130 2.155 1.00 45.06 C ATOM 1320 C THR A 151 -34.541 19.846 0.769 1.00 45.38 C ATOM 1321 O THR A 151 -35.151 20.215 -0.238 1.00 49.43 O ATOM 1322 CB THR A 151 -35.297 21.658 2.302 1.00 44.77 C ATOM 1323 OG1 THR A 151 -34.036 22.272 2.043 1.00 45.89 O ATOM 1324 CG2 THR A 151 -35.758 22.116 3.669 1.00 45.35 C ATOM 1325 HG1 THR A 151 -33.369 21.940 2.695 1.00 0.00 H ATOM 1326 H THR A 151 -33.250 19.935 3.239 1.00 0.00 H ATOM 1327 N GLY A 152 -33.336 19.277 0.705 1.00 46.44 N ATOM 1328 CA GLY A 152 -32.740 18.917 -0.580 1.00 47.27 C ATOM 1329 C GLY A 152 -31.731 19.950 -1.046 1.00 51.11 C ATOM 1330 O GLY A 152 -31.229 19.878 -2.158 1.00 47.50 O ATOM 1331 H GLY A 152 -32.813 19.087 1.583 1.00 0.00 H ATOM 1332 N GLU A 153 -31.427 20.925 -0.190 1.00 50.90 N ATOM 1333 CA GLU A 153 -30.460 21.921 -0.541 1.00 51.68 C ATOM 1334 C GLU A 153 -29.118 21.467 0.004 1.00 50.63 C ATOM 1335 O GLU A 153 -29.037 20.768 1.005 1.00 51.71 O ATOM 1336 CB GLU A 153 -30.860 23.293 -0.018 1.00 56.59 C ATOM 1337 CG GLU A 153 -32.080 23.852 -0.725 1.00 66.34 C ATOM 1338 CD GLU A 153 -32.724 25.016 0.005 1.00 81.10 C ATOM 1339 OE1 GLU A 153 -33.166 24.807 1.154 1.00 96.24 O ATOM 1340 OE2 GLU A 153 -32.760 26.138 -0.563 1.00102.19 O ATOM 1341 H GLU A 153 -31.895 20.963 0.738 1.00 0.00 H ATOM 1342 N GLU A 154 -28.075 21.826 -0.725 1.00 52.29 N ATOM 1343 CA GLU A 154 -26.748 21.616 -0.280 1.00 50.45 C ATOM 1344 C GLU A 154 -25.963 22.874 -0.629 1.00 49.61 C ATOM 1345 O GLU A 154 -26.402 23.675 -1.433 1.00 49.31 O ATOM 1346 CB GLU A 154 -26.172 20.334 -0.879 1.00 53.03 C ATOM 1347 CG GLU A 154 -26.084 20.330 -2.389 1.00 57.06 C ATOM 1348 CD GLU A 154 -25.662 18.995 -2.986 1.00 55.70 C ATOM 1349 OE1 GLU A 154 -24.872 18.244 -2.358 1.00 49.97 O ATOM 1350 OE2 GLU A 154 -26.155 18.690 -4.060 1.00 54.07 O ATOM 1351 H GLU A 154 -28.234 22.275 -1.650 1.00 0.00 H ATOM 1352 N MET A 155 -24.859 23.063 0.080 1.00 43.59 N ATOM 1353 CA MET A 155 -23.893 24.038 -0.256 1.00 44.19 C ATOM 1354 C MET A 155 -22.530 23.448 0.116 1.00 44.70 C ATOM 1355 O MET A 155 -22.390 22.812 1.152 1.00 40.88 O ATOM 1356 CB MET A 155 -24.159 25.348 0.500 1.00 45.36 C ATOM 1357 CG MET A 155 -23.119 26.415 0.235 1.00 49.81 C ATOM 1358 SD MET A 155 -23.454 27.969 1.095 1.00 56.51 S ATOM 1359 CE MET A 155 -24.795 28.587 0.074 1.00 60.81 C ATOM 1360 H MET A 155 -24.697 22.469 0.918 1.00 0.00 H ATOM 1361 N ALA A 156 -21.550 23.617 -0.771 1.00 46.83 N ATOM 1362 CA ALA A 156 -20.219 23.095 -0.573 1.00 52.71 C ATOM 1363 C ALA A 156 -19.228 24.182 -0.984 1.00 55.28 C ATOM 1364 O ALA A 156 -19.583 25.036 -1.796 1.00 57.81 O ATOM 1365 CB ALA A 156 -20.058 21.841 -1.400 1.00 56.34 C ATOM 1366 H ALA A 156 -21.753 24.147 -1.642 1.00 0.00 H ATOM 1367 N THR A 157 -18.000 24.146 -0.464 1.00 53.60 N ATOM 1368 CA THR A 157 -17.076 25.232 -0.776 1.00 55.95 C ATOM 1369 C THR A 157 -16.731 25.180 -2.270 1.00 56.79 C ATOM 1370 O THR A 157 -16.579 24.094 -2.846 1.00 57.52 O ATOM 1371 CB THR A 157 -15.809 25.253 0.090 1.00 57.14 C ATOM 1372 OG1 THR A 157 -14.667 24.944 -0.707 1.00 65.01 O ATOM 1373 CG2 THR A 157 -15.867 24.335 1.280 1.00 49.43 C ATOM 1374 HG1 THR A 157 -14.776 24.043 -1.103 1.00 0.00 H ATOM 1375 H THR A 157 -17.707 23.360 0.151 1.00 0.00 H ATOM 1376 N LYS A 158 -16.624 26.382 -2.861 1.00 58.44 N ATOM 1377 CA LYS A 158 -16.308 26.630 -4.274 1.00 58.47 C ATOM 1378 C LYS A 158 -17.332 25.940 -5.183 1.00 59.59 C ATOM 1379 O LYS A 158 -17.048 25.668 -6.344 1.00 59.79 O ATOM 1380 CB LYS A 158 -14.869 26.205 -4.568 1.00 59.83 C ATOM 1381 CG LYS A 158 -13.842 26.976 -3.757 1.00 70.16 C ATOM 1382 CD LYS A 158 -12.399 26.649 -4.076 1.00 80.12 C ATOM 1383 CE LYS A 158 -11.438 27.641 -3.453 1.00 86.30 C ATOM 1384 NZ LYS A 158 -10.039 27.147 -3.453 1.00 92.01 N ATOM 1385 HZ1 LYS A 158 -9.985 26.262 -2.910 1.00 0.00 H ATOM 1386 HZ2 LYS A 158 -9.734 26.974 -4.432 1.00 0.00 H ATOM 1387 HZ3 LYS A 158 -9.421 27.861 -3.017 1.00 0.00 H ATOM 1388 H LYS A 158 -16.780 27.217 -2.261 1.00 0.00 H ATOM 1389 N ALA A 159 -18.535 25.696 -4.645 1.00 57.83 N ATOM 1390 CA ALA A 159 -19.584 24.903 -5.288 1.00 54.70 C ATOM 1391 C ALA A 159 -19.028 23.582 -5.828 1.00 51.91 C ATOM 1392 O ALA A 159 -19.507 23.072 -6.820 1.00 55.68 O ATOM 1393 CB ALA A 159 -20.230 25.704 -6.384 1.00 53.33 C ATOM 1394 H ALA A 159 -18.737 26.097 -3.707 1.00 0.00 H ATOM 1395 N ASP A 160 -18.031 23.017 -5.149 1.00 49.66 N ATOM 1396 CA ASP A 160 -17.502 21.733 -5.537 1.00 48.95 C ATOM 1397 C ASP A 160 -18.122 20.671 -4.610 1.00 48.61 C ATOM 1398 O ASP A 160 -17.828 20.625 -3.424 1.00 44.54 O ATOM 1399 CB ASP A 160 -15.976 21.753 -5.479 1.00 51.75 C ATOM 1400 CG ASP A 160 -15.371 20.373 -5.668 1.00 57.36 C ATOM 1401 OD1 ASP A 160 -16.143 19.429 -5.973 1.00 63.70 O ATOM 1402 OD2 ASP A 160 -14.147 20.248 -5.498 1.00 58.81 O ATOM 1403 H ASP A 160 -17.628 23.510 -4.326 1.00 0.00 H ATOM 1404 N TYR A 161 -18.974 19.814 -5.173 1.00 48.07 N ATOM 1405 CA TYR A 161 -19.856 18.932 -4.420 1.00 50.35 C ATOM 1406 C TYR A 161 -19.275 17.516 -4.238 1.00 54.37 C ATOM 1407 O TYR A 161 -19.969 16.634 -3.702 1.00 49.29 O ATOM 1408 CB TYR A 161 -21.205 18.881 -5.128 1.00 51.10 C ATOM 1409 CG TYR A 161 -21.937 20.189 -5.065 1.00 50.26 C ATOM 1410 CD1 TYR A 161 -22.437 20.637 -3.855 1.00 48.97 C ATOM 1411 CD2 TYR A 161 -22.079 21.003 -6.179 1.00 50.40 C ATOM 1412 CE1 TYR A 161 -23.111 21.838 -3.756 1.00 45.14 C ATOM 1413 CE2 TYR A 161 -22.768 22.202 -6.101 1.00 49.16 C ATOM 1414 CZ TYR A 161 -23.274 22.621 -4.879 1.00 49.90 C ATOM 1415 OH TYR A 161 -23.925 23.805 -4.735 1.00 52.66 O ATOM 1416 HH TYR A 161 -24.204 23.914 -3.791 1.00 0.00 H ATOM 1417 H TYR A 161 -19.011 19.773 -6.212 1.00 0.00 H ATOM 1418 N THR A 162 -18.026 17.306 -4.682 1.00 50.60 N ATOM 1419 CA THR A 162 -17.250 16.100 -4.430 1.00 52.82 C ATOM 1420 C THR A 162 -17.879 14.859 -5.090 1.00 52.54 C ATOM 1421 O THR A 162 -17.188 14.157 -5.808 1.00 53.87 O ATOM 1422 CB THR A 162 -17.038 15.889 -2.923 1.00 51.85 C ATOM 1423 OG1 THR A 162 -16.368 17.035 -2.395 1.00 44.42 O ATOM 1424 CG2 THR A 162 -16.243 14.638 -2.616 1.00 52.58 C ATOM 1425 HG1 THR A 162 -16.923 17.840 -2.549 1.00 0.00 H ATOM 1426 H THR A 162 -17.581 18.058 -5.246 1.00 0.00 H ATOM 1427 N LEU A 163 -19.150 14.551 -4.780 1.00 52.26 N ATOM 1428 CA LEU A 163 -19.819 13.322 -5.227 1.00 50.36 C ATOM 1429 C LEU A 163 -20.545 13.562 -6.550 1.00 51.08 C ATOM 1430 O LEU A 163 -20.776 14.697 -6.945 1.00 44.51 O ATOM 1431 CB LEU A 163 -20.844 12.873 -4.185 1.00 53.34 C ATOM 1432 CG LEU A 163 -20.311 12.568 -2.794 1.00 54.37 C ATOM 1433 CD1 LEU A 163 -21.459 12.209 -1.864 1.00 56.23 C ATOM 1434 CD2 LEU A 163 -19.283 11.451 -2.838 1.00 50.04 C ATOM 1435 H LEU A 163 -19.689 15.219 -4.192 1.00 0.00 H ATOM 1436 N ASP A 164 -20.959 12.458 -7.181 1.00 54.06 N ATOM 1437 CA ASP A 164 -21.799 12.513 -8.374 1.00 54.13 C ATOM 1438 C ASP A 164 -23.242 12.824 -7.956 1.00 54.10 C ATOM 1439 O ASP A 164 -23.592 12.750 -6.778 1.00 52.61 O ATOM 1440 CB ASP A 164 -21.676 11.233 -9.213 1.00 56.13 C ATOM 1441 CG ASP A 164 -22.102 9.918 -8.559 1.00 55.94 C ATOM 1442 OD1 ASP A 164 -22.918 9.935 -7.619 1.00 57.72 O ATOM 1443 OD2 ASP A 164 -21.621 8.870 -9.020 1.00 60.41 O ATOM 1444 H ASP A 164 -20.673 11.530 -6.810 1.00 0.00 H ATOM 1445 N GLU A 165 -24.071 13.127 -8.956 1.00 53.08 N ATOM 1446 CA GLU A 165 -25.434 13.567 -8.763 1.00 56.62 C ATOM 1447 C GLU A 165 -26.201 12.528 -7.939 1.00 57.17 C ATOM 1448 O GLU A 165 -27.031 12.884 -7.108 1.00 50.37 O ATOM 1449 CB GLU A 165 -26.178 13.717 -10.093 1.00 65.05 C ATOM 1450 CG GLU A 165 -25.438 14.510 -11.151 1.00 68.80 C ATOM 1451 CD GLU A 165 -25.023 15.865 -10.639 1.00 74.62 C ATOM 1452 OE1 GLU A 165 -23.909 16.305 -10.976 1.00 85.26 O ATOM 1453 OE2 GLU A 165 -25.817 16.460 -9.886 1.00 82.96 O ATOM 1454 H GLU A 165 -23.716 13.042 -9.930 1.00 0.00 H ATOM 1455 N GLU A 166 -25.928 11.247 -8.206 1.00 55.54 N ATOM 1456 CA GLU A 166 -26.742 10.132 -7.731 1.00 56.17 C ATOM 1457 C GLU A 166 -26.509 9.888 -6.230 1.00 49.79 C ATOM 1458 O GLU A 166 -27.467 9.598 -5.514 1.00 48.29 O ATOM 1459 CB GLU A 166 -26.438 8.854 -8.523 1.00 59.47 C ATOM 1460 CG GLU A 166 -27.297 7.669 -8.103 1.00 66.80 C ATOM 1461 CD GLU A 166 -26.881 6.316 -8.649 1.00 79.26 C ATOM 1462 OE1 GLU A 166 -27.461 5.308 -8.197 1.00 88.83 O ATOM 1463 OE2 GLU A 166 -25.991 6.267 -9.528 1.00 82.63 O ATOM 1464 H GLU A 166 -25.090 11.033 -8.784 1.00 0.00 H ATOM 1465 N SER A 167 -25.238 9.932 -5.799 1.00 45.72 N ATOM 1466 CA SER A 167 -24.842 9.788 -4.396 1.00 49.29 C ATOM 1467 C SER A 167 -25.411 10.945 -3.546 1.00 48.83 C ATOM 1468 O SER A 167 -25.927 10.740 -2.447 1.00 45.26 O ATOM 1469 CB SER A 167 -23.347 9.709 -4.293 1.00 49.60 C ATOM 1470 OG SER A 167 -22.830 8.798 -5.246 1.00 53.92 O ATOM 1471 HG SER A 167 -23.074 9.101 -6.156 1.00 0.00 H ATOM 1472 H SER A 167 -24.488 10.077 -6.505 1.00 0.00 H ATOM 1473 N ARG A 168 -25.317 12.167 -4.075 1.00 45.68 N ATOM 1474 CA ARG A 168 -25.866 13.335 -3.418 1.00 46.99 C ATOM 1475 C ARG A 168 -27.391 13.192 -3.293 1.00 45.29 C ATOM 1476 O ARG A 168 -27.948 13.452 -2.228 1.00 39.38 O ATOM 1477 CB ARG A 168 -25.422 14.582 -4.182 1.00 49.19 C ATOM 1478 CG ARG A 168 -23.913 14.774 -4.170 1.00 52.58 C ATOM 1479 CD ARG A 168 -23.501 16.166 -4.594 1.00 54.61 C ATOM 1480 NE ARG A 168 -23.576 16.370 -6.031 1.00 61.17 N ATOM 1481 CZ ARG A 168 -24.157 17.402 -6.632 1.00 58.94 C ATOM 1482 NH1 ARG A 168 -24.794 18.323 -5.936 1.00 58.94 N ATOM 1483 NH2 ARG A 168 -24.093 17.516 -7.939 1.00 58.96 N ATOM 1484 HE ARG A 168 -23.139 15.648 -6.639 1.00 0.00 H ATOM 1485 HH12 ARG A 168 -25.243 19.125 -6.423 1.00 0.00 H ATOM 1486 HH11 ARG A 168 -24.847 18.248 -4.900 1.00 0.00 H ATOM 1487 HH22 ARG A 168 -24.547 18.323 -8.413 1.00 0.00 H ATOM 1488 HH21 ARG A 168 -23.589 16.800 -8.499 1.00 0.00 H ATOM 1489 H ARG A 168 -24.834 12.284 -4.989 1.00 0.00 H ATOM 1490 N ALA A 169 -28.034 12.686 -4.355 1.00 41.43 N ATOM 1491 CA ALA A 169 -29.478 12.503 -4.418 1.00 44.95 C ATOM 1492 C ALA A 169 -29.944 11.460 -3.395 1.00 45.29 C ATOM 1493 O ALA A 169 -31.026 11.599 -2.783 1.00 44.54 O ATOM 1494 CB ALA A 169 -29.895 12.113 -5.817 1.00 45.49 C ATOM 1495 H ALA A 169 -27.469 12.408 -5.182 1.00 0.00 H ATOM 1496 N ARG A 170 -29.145 10.404 -3.214 1.00 45.13 N ATOM 1497 CA ARG A 170 -29.473 9.410 -2.198 1.00 46.15 C ATOM 1498 C ARG A 170 -29.371 10.043 -0.803 1.00 41.85 C ATOM 1499 O ARG A 170 -30.197 9.798 0.040 1.00 35.10 O ATOM 1500 CB ARG A 170 -28.557 8.190 -2.297 1.00 53.17 C ATOM 1501 CG ARG A 170 -28.877 7.269 -3.461 1.00 62.00 C ATOM 1502 CD ARG A 170 -28.217 5.915 -3.292 1.00 73.64 C ATOM 1503 NE ARG A 170 -27.540 5.455 -4.500 1.00 83.73 N ATOM 1504 CZ ARG A 170 -26.743 4.391 -4.552 1.00 92.78 C ATOM 1505 NH1 ARG A 170 -26.673 3.571 -3.514 1.00 89.76 N ATOM 1506 NH2 ARG A 170 -26.006 4.162 -5.627 1.00 93.58 N ATOM 1507 HE ARG A 170 -27.690 5.994 -5.377 1.00 0.00 H ATOM 1508 HH12 ARG A 170 -26.051 2.738 -3.550 1.00 0.00 H ATOM 1509 HH11 ARG A 170 -27.240 3.760 -2.663 1.00 0.00 H ATOM 1510 HH22 ARG A 170 -25.384 3.329 -5.663 1.00 0.00 H ATOM 1511 HH21 ARG A 170 -26.048 4.815 -6.435 1.00 0.00 H ATOM 1512 H ARG A 170 -28.291 10.291 -3.797 1.00 0.00 H ATOM 1513 N ILE A 171 -28.342 10.858 -0.557 1.00 41.04 N ATOM 1514 CA ILE A 171 -28.227 11.503 0.757 1.00 43.42 C ATOM 1515 C ILE A 171 -29.441 12.415 0.962 1.00 44.88 C ATOM 1516 O ILE A 171 -30.119 12.354 1.994 1.00 42.41 O ATOM 1517 CB ILE A 171 -26.891 12.256 0.898 1.00 42.61 C ATOM 1518 CG1 ILE A 171 -25.735 11.262 0.930 1.00 40.33 C ATOM 1519 CG2 ILE A 171 -26.878 13.161 2.120 1.00 42.35 C ATOM 1520 CD1 ILE A 171 -24.382 11.906 0.810 1.00 45.55 C ATOM 1521 H ILE A 171 -27.627 11.035 -1.291 1.00 0.00 H ATOM 1522 N LYS A 172 -29.741 13.240 -0.040 1.00 43.70 N ATOM 1523 CA LYS A 172 -30.802 14.185 0.126 1.00 39.93 C ATOM 1524 C LYS A 172 -32.094 13.418 0.387 1.00 39.95 C ATOM 1525 O LYS A 172 -32.896 13.825 1.245 1.00 35.94 O ATOM 1526 CB LYS A 172 -30.906 15.109 -1.083 1.00 40.97 C ATOM 1527 CG LYS A 172 -29.689 15.995 -1.333 1.00 42.58 C ATOM 1528 CD LYS A 172 -29.694 16.611 -2.692 1.00 44.85 C ATOM 1529 CE LYS A 172 -28.686 17.727 -2.812 1.00 53.97 C ATOM 1530 NZ LYS A 172 -28.501 18.136 -4.224 1.00 48.78 N ATOM 1531 HZ1 LYS A 172 -28.163 17.323 -4.778 1.00 0.00 H ATOM 1532 HZ2 LYS A 172 -29.409 18.466 -4.610 1.00 0.00 H ATOM 1533 HZ3 LYS A 172 -27.802 18.905 -4.272 1.00 0.00 H ATOM 1534 H LYS A 172 -29.210 13.198 -0.933 1.00 0.00 H ATOM 1535 N THR A 173 -32.306 12.315 -0.350 1.00 41.49 N ATOM 1536 CA THR A 173 -33.565 11.553 -0.221 1.00 38.97 C ATOM 1537 C THR A 173 -33.671 10.974 1.197 1.00 39.37 C ATOM 1538 O THR A 173 -34.756 10.970 1.797 1.00 40.08 O ATOM 1539 CB THR A 173 -33.676 10.421 -1.256 1.00 43.81 C ATOM 1540 OG1 THR A 173 -33.646 11.016 -2.563 1.00 41.75 O ATOM 1541 CG2 THR A 173 -34.926 9.574 -1.058 1.00 38.32 C ATOM 1542 HG1 THR A 173 -32.795 11.508 -2.681 1.00 0.00 H ATOM 1543 H THR A 173 -31.576 11.994 -1.018 1.00 0.00 H ATOM 1544 N ARG A 174 -32.553 10.451 1.722 1.00 35.84 N ATOM 1545 CA ARG A 174 -32.568 9.858 3.056 1.00 39.21 C ATOM 1546 C ARG A 174 -32.934 10.939 4.104 1.00 40.65 C ATOM 1547 O ARG A 174 -33.783 10.723 5.014 1.00 41.79 O ATOM 1548 CB ARG A 174 -31.220 9.176 3.302 1.00 39.10 C ATOM 1549 CG ARG A 174 -31.018 8.659 4.721 1.00 42.78 C ATOM 1550 CD ARG A 174 -32.081 7.662 5.140 1.00 43.30 C ATOM 1551 NE ARG A 174 -31.780 7.075 6.440 1.00 47.59 N ATOM 1552 CZ ARG A 174 -32.696 6.722 7.352 1.00 44.41 C ATOM 1553 NH1 ARG A 174 -33.975 6.666 7.037 1.00 41.83 N ATOM 1554 NH2 ARG A 174 -32.340 6.483 8.595 1.00 43.40 N ATOM 1555 HE ARG A 174 -30.780 6.919 6.677 1.00 0.00 H ATOM 1556 HH12 ARG A 174 -34.676 6.391 7.754 1.00 0.00 H ATOM 1557 HH11 ARG A 174 -34.283 6.897 6.071 1.00 0.00 H ATOM 1558 HH22 ARG A 174 -33.056 6.209 9.298 1.00 0.00 H ATOM 1559 HH21 ARG A 174 -31.342 6.568 8.876 1.00 0.00 H ATOM 1560 H ARG A 174 -31.669 10.468 1.175 1.00 0.00 H ATOM 1561 N LEU A 175 -32.308 12.110 3.986 1.00 39.01 N ATOM 1562 CA LEU A 175 -32.548 13.235 4.922 1.00 38.06 C ATOM 1563 C LEU A 175 -34.004 13.703 4.859 1.00 38.81 C ATOM 1564 O LEU A 175 -34.637 13.898 5.907 1.00 42.85 O ATOM 1565 CB LEU A 175 -31.623 14.389 4.582 1.00 35.94 C ATOM 1566 CG LEU A 175 -30.172 14.175 4.941 1.00 35.93 C ATOM 1567 CD1 LEU A 175 -29.315 15.278 4.351 1.00 39.55 C ATOM 1568 CD2 LEU A 175 -30.003 14.094 6.433 1.00 38.31 C ATOM 1569 H LEU A 175 -31.627 12.239 3.210 1.00 0.00 H ATOM 1570 N PHE A 176 -34.539 13.843 3.645 1.00 35.97 N ATOM 1571 CA PHE A 176 -35.921 14.244 3.472 1.00 37.10 C ATOM 1572 C PHE A 176 -36.856 13.177 4.067 1.00 39.30 C ATOM 1573 O PHE A 176 -37.889 13.508 4.666 1.00 42.05 O ATOM 1574 CB PHE A 176 -36.209 14.564 2.004 1.00 38.21 C ATOM 1575 CG PHE A 176 -37.574 15.152 1.738 1.00 38.90 C ATOM 1576 CD1 PHE A 176 -38.662 14.337 1.508 1.00 33.81 C ATOM 1577 CD2 PHE A 176 -37.763 16.533 1.711 1.00 44.72 C ATOM 1578 CE1 PHE A 176 -39.919 14.886 1.265 1.00 43.88 C ATOM 1579 CE2 PHE A 176 -39.018 17.085 1.471 1.00 48.47 C ATOM 1580 CZ PHE A 176 -40.099 16.260 1.232 1.00 46.36 C ATOM 1581 H PHE A 176 -33.953 13.661 2.806 1.00 0.00 H ATOM 1582 N THR A 177 -36.490 11.902 3.933 1.00 35.86 N ATOM 1583 CA THR A 177 -37.294 10.810 4.477 1.00 38.73 C ATOM 1584 C THR A 177 -37.296 10.850 6.016 1.00 37.15 C ATOM 1585 O THR A 177 -38.316 10.613 6.630 1.00 38.17 O ATOM 1586 CB THR A 177 -36.816 9.434 3.982 1.00 40.68 C ATOM 1587 OG1 THR A 177 -36.689 9.465 2.563 1.00 44.16 O ATOM 1588 CG2 THR A 177 -37.773 8.319 4.353 1.00 38.99 C ATOM 1589 HG1 THR A 177 -36.030 10.158 2.307 1.00 0.00 H ATOM 1590 H THR A 177 -35.609 11.679 3.428 1.00 0.00 H ATOM 1591 N ILE A 178 -36.148 11.127 6.633 1.00 36.24 N ATOM 1592 CA ILE A 178 -36.066 11.280 8.100 1.00 39.04 C ATOM 1593 C ILE A 178 -37.029 12.394 8.543 1.00 42.12 C ATOM 1594 O ILE A 178 -37.940 12.183 9.399 1.00 39.72 O ATOM 1595 CB ILE A 178 -34.605 11.520 8.539 1.00 40.11 C ATOM 1596 CG1 ILE A 178 -33.770 10.240 8.384 1.00 39.07 C ATOM 1597 CG2 ILE A 178 -34.540 12.071 9.956 1.00 39.95 C ATOM 1598 CD1 ILE A 178 -32.257 10.466 8.394 1.00 40.95 C ATOM 1599 H ILE A 178 -35.284 11.239 6.065 1.00 0.00 H ATOM 1600 N ARG A 179 -36.895 13.563 7.911 1.00 40.20 N ATOM 1601 CA ARG A 179 -37.793 14.675 8.204 1.00 41.32 C ATOM 1602 C ARG A 179 -39.252 14.217 8.137 1.00 40.48 C ATOM 1603 O ARG A 179 -40.034 14.502 9.058 1.00 40.47 O ATOM 1604 CB ARG A 179 -37.548 15.856 7.266 1.00 39.64 C ATOM 1605 CG ARG A 179 -38.658 16.898 7.272 1.00 41.64 C ATOM 1606 CD ARG A 179 -38.328 18.043 6.340 1.00 43.82 C ATOM 1607 NE ARG A 179 -39.502 18.807 5.950 1.00 45.81 N ATOM 1608 CZ ARG A 179 -39.519 19.643 4.925 1.00 48.10 C ATOM 1609 NH1 ARG A 179 -38.428 19.834 4.194 1.00 49.38 N ATOM 1610 NH2 ARG A 179 -40.626 20.277 4.626 1.00 51.96 N ATOM 1611 HE ARG A 179 -40.373 18.690 6.506 1.00 0.00 H ATOM 1612 HH12 ARG A 179 -38.450 20.493 3.390 1.00 0.00 H ATOM 1613 HH11 ARG A 179 -37.551 19.325 4.425 1.00 0.00 H ATOM 1614 HH22 ARG A 179 -40.647 20.936 3.822 1.00 0.00 H ATOM 1615 HH21 ARG A 179 -41.484 20.121 5.193 1.00 0.00 H ATOM 1616 H ARG A 179 -36.143 13.682 7.203 1.00 0.00 H ATOM 1617 N GLN A 180 -39.624 13.521 7.057 1.00 38.47 N ATOM 1618 CA GLN A 180 -41.050 13.232 6.832 1.00 39.07 C ATOM 1619 C GLN A 180 -41.518 12.181 7.834 1.00 41.81 C ATOM 1620 O GLN A 180 -42.679 12.198 8.286 1.00 40.68 O ATOM 1621 CB GLN A 180 -41.332 12.790 5.399 1.00 38.17 C ATOM 1622 CG GLN A 180 -41.199 13.917 4.380 1.00 37.75 C ATOM 1623 CD GLN A 180 -42.135 15.077 4.631 1.00 39.93 C ATOM 1624 OE1 GLN A 180 -41.785 16.222 4.380 1.00 38.10 O ATOM 1625 NE2 GLN A 180 -43.336 14.798 5.111 1.00 37.92 N ATOM 1626 HE22 GLN A 180 -43.599 13.812 5.313 1.00 0.00 H ATOM 1627 HE21 GLN A 180 -44.017 15.564 5.287 1.00 0.00 H ATOM 1628 H GLN A 180 -38.910 13.186 6.380 1.00 0.00 H ATOM 1629 N GLU A 181 -40.612 11.263 8.156 1.00 40.93 N ATOM 1630 CA GLU A 181 -40.859 10.272 9.189 1.00 47.67 C ATOM 1631 C GLU A 181 -41.155 10.969 10.528 1.00 43.23 C ATOM 1632 O GLU A 181 -42.141 10.640 11.222 1.00 42.65 O ATOM 1633 CB GLU A 181 -39.644 9.354 9.352 1.00 55.51 C ATOM 1634 CG GLU A 181 -39.834 7.971 8.766 1.00 63.38 C ATOM 1635 CD GLU A 181 -41.085 7.290 9.288 1.00 65.41 C ATOM 1636 OE1 GLU A 181 -41.372 7.397 10.521 1.00 70.68 O ATOM 1637 OE2 GLU A 181 -41.799 6.714 8.454 1.00 63.58 O ATOM 1638 H GLU A 181 -39.701 11.254 7.654 1.00 0.00 H ATOM 1639 N MET A 182 -40.275 11.903 10.896 1.00 41.56 N ATOM 1640 CA MET A 182 -40.428 12.692 12.115 1.00 41.78 C ATOM 1641 C MET A 182 -41.769 13.414 12.050 1.00 46.63 C ATOM 1642 O MET A 182 -42.537 13.360 13.014 1.00 49.08 O ATOM 1643 CB MET A 182 -39.295 13.704 12.308 1.00 43.73 C ATOM 1644 CG MET A 182 -37.946 13.050 12.609 1.00 45.16 C ATOM 1645 SD MET A 182 -36.709 14.284 13.067 1.00 45.30 S ATOM 1646 CE MET A 182 -35.291 13.270 13.434 1.00 43.69 C ATOM 1647 H MET A 182 -39.447 12.076 10.290 1.00 0.00 H ATOM 1648 N ALA A 183 -42.074 14.012 10.887 1.00 44.95 N ATOM 1649 CA ALA A 183 -43.335 14.735 10.716 1.00 45.67 C ATOM 1650 C ALA A 183 -44.536 13.785 10.883 1.00 48.52 C ATOM 1651 O ALA A 183 -45.557 14.188 11.480 1.00 50.48 O ATOM 1652 CB ALA A 183 -43.362 15.466 9.394 1.00 42.98 C ATOM 1653 H ALA A 183 -41.403 13.961 10.094 1.00 0.00 H ATOM 1654 N SER A 184 -44.432 12.546 10.377 1.00 50.01 N ATOM 1655 CA SER A 184 -45.494 11.523 10.577 1.00 54.35 C ATOM 1656 C SER A 184 -45.811 11.354 12.064 1.00 53.18 C ATOM 1657 O SER A 184 -46.978 11.165 12.431 1.00 55.09 O ATOM 1658 CB SER A 184 -45.129 10.189 10.005 1.00 53.83 C ATOM 1659 OG SER A 184 -45.076 10.255 8.596 1.00 66.34 O ATOM 1660 HG SER A 184 -44.395 10.920 8.323 1.00 0.00 H ATOM 1661 H SER A 184 -43.585 12.294 9.829 1.00 0.00 H ATOM 1662 N ARG A 185 -44.756 11.386 12.892 1.00 55.96 N ATOM 1663 CA ARG A 185 -44.833 11.133 14.328 1.00 51.60 C ATOM 1664 C ARG A 185 -44.894 12.444 15.120 1.00 50.19 C ATOM 1665 O ARG A 185 -44.666 12.438 16.320 1.00 50.51 O ATOM 1666 CB ARG A 185 -43.613 10.334 14.789 1.00 50.00 C ATOM 1667 CG ARG A 185 -43.517 8.936 14.193 1.00 51.16 C ATOM 1668 CD ARG A 185 -42.100 8.424 14.363 1.00 54.10 C ATOM 1669 NE ARG A 185 -41.812 7.254 13.550 1.00 59.03 N ATOM 1670 CZ ARG A 185 -41.527 6.050 14.043 1.00 72.75 C ATOM 1671 NH1 ARG A 185 -41.492 5.865 15.355 1.00 71.71 N ATOM 1672 NH2 ARG A 185 -41.275 5.039 13.226 1.00 68.71 N ATOM 1673 HE ARG A 185 -41.830 7.364 12.516 1.00 0.00 H ATOM 1674 HH12 ARG A 185 -41.270 4.926 15.742 1.00 0.00 H ATOM 1675 HH11 ARG A 185 -41.687 6.659 15.998 1.00 0.00 H ATOM 1676 HH22 ARG A 185 -41.053 4.100 13.614 1.00 0.00 H ATOM 1677 HH21 ARG A 185 -41.299 5.184 12.196 1.00 0.00 H ATOM 1678 H ARG A 185 -43.824 11.605 12.485 1.00 0.00 H ATOM 1679 N SER A 186 -45.191 13.561 14.450 1.00 52.16 N ATOM 1680 CA SER A 186 -45.254 14.891 15.091 1.00 51.35 C ATOM 1681 C SER A 186 -43.986 15.200 15.900 1.00 52.54 C ATOM 1682 O SER A 186 -44.089 15.785 16.969 1.00 55.81 O ATOM 1683 CB SER A 186 -46.473 14.998 15.968 1.00 54.26 C ATOM 1684 OG SER A 186 -47.650 15.156 15.189 1.00 58.46 O ATOM 1685 HG SER A 186 -48.435 15.224 15.789 1.00 0.00 H ATOM 1686 H SER A 186 -45.387 13.491 13.431 1.00 0.00 H ATOM 1687 N LEU A 187 -42.796 14.835 15.395 1.00 52.50 N ATOM 1688 CA LEU A 187 -41.510 15.157 16.085 1.00 48.59 C ATOM 1689 C LEU A 187 -40.725 16.249 15.353 1.00 45.40 C ATOM 1690 O LEU A 187 -39.701 16.728 15.851 1.00 45.14 O ATOM 1691 CB LEU A 187 -40.661 13.893 16.190 1.00 47.82 C ATOM 1692 CG LEU A 187 -41.344 12.687 16.832 1.00 51.02 C ATOM 1693 CD1 LEU A 187 -40.451 11.452 16.731 1.00 51.51 C ATOM 1694 CD2 LEU A 187 -41.687 12.970 18.280 1.00 49.40 C ATOM 1695 H LEU A 187 -42.769 14.312 14.496 1.00 0.00 H ATOM 1696 N TRP A 188 -41.166 16.609 14.144 1.00 46.67 N ATOM 1697 CA TRP A 188 -40.330 17.435 13.272 1.00 46.22 C ATOM 1698 C TRP A 188 -40.269 18.875 13.808 1.00 43.54 C ATOM 1699 O TRP A 188 -39.223 19.489 13.768 1.00 42.90 O ATOM 1700 CB TRP A 188 -40.795 17.380 11.805 1.00 44.21 C ATOM 1701 CG TRP A 188 -40.089 18.386 10.957 1.00 41.94 C ATOM 1702 CD1 TRP A 188 -40.605 19.561 10.489 1.00 41.65 C ATOM 1703 CD2 TRP A 188 -38.695 18.386 10.600 1.00 42.31 C ATOM 1704 NE1 TRP A 188 -39.639 20.272 9.825 1.00 47.11 N ATOM 1705 CE2 TRP A 188 -38.461 19.571 9.868 1.00 44.97 C ATOM 1706 CE3 TRP A 188 -37.636 17.493 10.787 1.00 45.77 C ATOM 1707 CZ2 TRP A 188 -37.215 19.881 9.336 1.00 43.90 C ATOM 1708 CZ3 TRP A 188 -36.409 17.787 10.235 1.00 44.86 C ATOM 1709 CH2 TRP A 188 -36.206 18.964 9.516 1.00 45.45 C ATOM 1710 HE1 TRP A 188 -39.777 21.194 9.363 1.00 0.00 H ATOM 1711 H TRP A 188 -42.106 16.301 13.822 1.00 0.00 H ATOM 1712 N ASP A 189 -41.387 19.389 14.329 1.00 50.22 N ATOM 1713 CA ASP A 189 -41.449 20.795 14.792 1.00 55.45 C ATOM 1714 C ASP A 189 -40.461 21.017 15.939 1.00 51.27 C ATOM 1715 O ASP A 189 -39.728 21.993 15.939 1.00 50.23 O ATOM 1716 CB ASP A 189 -42.874 21.223 15.150 1.00 59.49 C ATOM 1717 CG ASP A 189 -43.410 22.210 14.134 1.00 67.27 C ATOM 1718 OD1 ASP A 189 -43.617 21.802 12.973 1.00 65.19 O ATOM 1719 OD2 ASP A 189 -43.515 23.399 14.486 1.00 91.94 O ATOM 1720 H ASP A 189 -42.232 18.789 14.411 1.00 0.00 H ATOM 1721 N SER A 190 -40.436 20.072 16.881 1.00 47.94 N ATOM 1722 CA SER A 190 -39.467 20.070 17.948 1.00 48.10 C ATOM 1723 C SER A 190 -38.060 19.955 17.361 1.00 48.32 C ATOM 1724 O SER A 190 -37.154 20.736 17.705 1.00 44.10 O ATOM 1725 CB SER A 190 -39.746 18.951 18.931 1.00 50.39 C ATOM 1726 OG SER A 190 -38.701 18.825 19.892 1.00 49.11 O ATOM 1727 HG SER A 190 -38.915 18.087 20.516 1.00 0.00 H ATOM 1728 H SER A 190 -41.142 19.309 16.844 1.00 0.00 H ATOM 1729 N PHE A 191 -37.875 18.966 16.480 1.00 45.29 N ATOM 1730 CA PHE A 191 -36.534 18.653 15.995 1.00 42.25 C ATOM 1731 C PHE A 191 -35.912 19.881 15.308 1.00 42.93 C ATOM 1732 O PHE A 191 -34.757 20.237 15.577 1.00 49.51 O ATOM 1733 CB PHE A 191 -36.533 17.400 15.109 1.00 39.99 C ATOM 1734 CG PHE A 191 -35.154 17.028 14.621 1.00 39.40 C ATOM 1735 CD1 PHE A 191 -34.141 16.714 15.521 1.00 37.73 C ATOM 1736 CD2 PHE A 191 -34.842 17.055 13.275 1.00 38.38 C ATOM 1737 CE1 PHE A 191 -32.868 16.393 15.087 1.00 39.64 C ATOM 1738 CE2 PHE A 191 -33.558 16.755 12.840 1.00 39.31 C ATOM 1739 CZ PHE A 191 -32.574 16.419 13.742 1.00 42.46 C ATOM 1740 H PHE A 191 -38.690 18.417 16.139 1.00 0.00 H ATOM 1741 N ARG A 192 -36.652 20.559 14.433 1.00 44.27 N ATOM 1742 CA ARG A 192 -36.014 21.639 13.678 1.00 47.95 C ATOM 1743 C ARG A 192 -35.807 22.909 14.507 1.00 47.71 C ATOM 1744 O ARG A 192 -35.001 23.726 14.111 1.00 50.42 O ATOM 1745 CB ARG A 192 -36.800 21.999 12.421 1.00 53.97 C ATOM 1746 CG ARG A 192 -38.236 22.408 12.686 1.00 53.92 C ATOM 1747 CD ARG A 192 -38.606 23.538 11.757 1.00 59.29 C ATOM 1748 NE ARG A 192 -39.921 24.023 12.140 1.00 61.74 N ATOM 1749 CZ ARG A 192 -40.141 25.206 12.688 1.00 58.23 C ATOM 1750 NH1 ARG A 192 -41.316 25.458 13.242 1.00 52.87 N ATOM 1751 NH2 ARG A 192 -39.174 26.110 12.686 1.00 57.29 N ATOM 1752 HE ARG A 192 -40.739 23.402 11.973 1.00 0.00 H ATOM 1753 HH12 ARG A 192 -41.498 26.386 13.675 1.00 0.00 H ATOM 1754 HH11 ARG A 192 -42.057 24.728 13.244 1.00 0.00 H ATOM 1755 HH22 ARG A 192 -39.335 27.044 13.114 1.00 0.00 H ATOM 1756 HH21 ARG A 192 -38.254 25.886 12.257 1.00 0.00 H ATOM 1757 H ARG A 192 -37.656 20.328 14.290 1.00 0.00 H ATOM 1758 N GLN A 193 -36.529 23.096 15.621 1.00 45.94 N ATOM 1759 CA GLN A 193 -36.310 24.304 16.442 1.00 46.17 C ATOM 1760 C GLN A 193 -35.168 24.089 17.458 1.00 50.35 C ATOM 1761 O GLN A 193 -34.751 25.064 18.119 1.00 46.27 O ATOM 1762 CB GLN A 193 -37.612 24.737 17.117 1.00 44.75 C ATOM 1763 CG GLN A 193 -38.697 25.171 16.132 1.00 45.72 C ATOM 1764 CD GLN A 193 -39.899 25.697 16.875 1.00 47.88 C ATOM 1765 OE1 GLN A 193 -39.848 26.760 17.492 1.00 45.05 O ATOM 1766 NE2 GLN A 193 -40.971 24.928 16.868 1.00 45.47 N ATOM 1767 HE22 GLN A 193 -40.968 24.037 16.332 1.00 0.00 H ATOM 1768 HE21 GLN A 193 -41.819 25.213 17.399 1.00 0.00 H ATOM 1769 H GLN A 193 -37.241 22.393 15.906 1.00 0.00 H ATOM 1770 N SER A 194 -34.630 22.856 17.546 1.00 45.21 N ATOM 1771 CA SER A 194 -33.583 22.495 18.538 1.00 51.37 C ATOM 1772 C SER A 194 -32.158 22.592 17.975 1.00 49.39 C ATOM 1773 O SER A 194 -31.225 22.112 18.624 1.00 52.17 O ATOM 1774 CB SER A 194 -33.814 21.113 19.100 1.00 48.15 C ATOM 1775 OG SER A 194 -33.263 20.166 18.219 1.00 59.08 O ATOM 1776 HG SER A 194 -33.701 20.246 17.335 1.00 0.00 H ATOM 1777 H SER A 194 -34.963 22.122 16.889 1.00 0.00 H ATOM 1778 N GLU A 195 -31.983 23.185 16.787 1.00 52.15 N ATOM 1779 CA GLU A 195 -30.643 23.595 16.272 1.00 59.65 C ATOM 1780 C GLU A 195 -30.424 25.102 16.578 1.00 68.97 C ATOM 1781 O GLU A 195 -31.322 25.930 16.360 1.00 75.57 O ATOM 1782 CB GLU A 195 -30.530 23.264 14.766 1.00 50.87 C ATOM 1783 CG GLU A 195 -29.110 23.324 14.195 1.00 52.15 C ATOM 1784 CD GLU A 195 -28.943 23.049 12.698 1.00 55.98 C ATOM 1785 OE1 GLU A 195 -29.305 21.941 12.262 1.00 55.99 O ATOM 1786 OE2 GLU A 195 -28.450 23.929 11.955 1.00 46.00 O ATOM 1787 H GLU A 195 -32.819 23.368 16.196 1.00 0.00 H ATOM 1788 N ARG A 196 -29.239 25.451 17.108 1.00 80.55 N ATOM 1789 CA ARG A 196 -28.685 26.843 17.190 1.00 85.47 C ATOM 1790 C ARG A 196 -29.613 27.820 16.452 1.00 84.36 C ATOM 1791 O ARG A 196 -29.195 28.880 15.986 1.00 91.02 O ATOM 1792 CB ARG A 196 -27.256 26.917 16.622 1.00 87.50 C ATOM 1793 CG ARG A 196 -26.189 26.169 17.418 1.00 90.93 C ATOM 1794 CD ARG A 196 -25.749 24.829 16.833 1.00 90.37 C ATOM 1795 NE ARG A 196 -26.788 23.805 16.932 1.00 89.05 N ATOM 1796 CZ ARG A 196 -27.164 23.193 18.056 1.00 88.36 C ATOM 1797 NH1 ARG A 196 -28.281 22.480 18.080 1.00 81.12 N ATOM 1798 NH2 ARG A 196 -26.430 23.296 19.152 1.00 79.48 N ATOM 1799 HE ARG A 196 -27.274 23.531 16.054 1.00 0.00 H ATOM 1800 HH12 ARG A 196 -28.575 22.003 18.956 1.00 0.00 H ATOM 1801 HH11 ARG A 196 -28.864 22.398 17.223 1.00 0.00 H ATOM 1802 HH22 ARG A 196 -26.729 22.816 20.025 1.00 0.00 H ATOM 1803 HH21 ARG A 196 -25.554 23.857 19.140 1.00 0.00 H ATOM 1804 H ARG A 196 -28.652 24.686 17.497 1.00 0.00 H TER 1805 ARG A 196 HETATM 1806 MN MN A 1 -19.759 17.195 10.640 1.00 41.45 MN HETATM 1807 MN MN A 2 -17.401 15.406 12.773 1.00 55.13 MN HETATM 1808 O HOH 3 -32.210 7.676 31.078 1.00 60.55 O HETATM 1809 O HOH 4 -15.827 17.143 12.169 1.00 38.75 O HETATM 1810 O HOH 5 -28.467 19.976 16.060 1.00 55.32 O HETATM 1811 O HOH 6 -23.497 18.825 11.204 1.00 35.58 O HETATM 1812 O HOH 7 -22.726 25.177 -3.059 1.00 46.21 O HETATM 1813 O HOH 8 -38.438 28.827 17.580 1.00 44.72 O HETATM 1814 O HOH 9 -45.362 16.097 5.953 1.00 49.14 O HETATM 1815 O HOH 10 -18.007 18.771 -1.476 1.00 39.56 O HETATM 1816 O HOH 11 -11.149 3.352 14.539 1.00 50.67 O HETATM 1817 O HOH 12 -15.355 14.007 13.230 1.00 48.42 O HETATM 1818 O HOH 13 -34.237 27.693 18.118 1.00 63.37 O HETATM 1819 O HOH 14 -13.829 16.542 -1.444 1.00 51.02 O HETATM 1820 O HOH 15 -36.905 22.089 20.105 1.00 44.09 O HETATM 1821 O HOH 16 -18.081 7.736 18.913 1.00 59.77 O HETATM 1822 O HOH 17 -7.621 19.157 3.754 1.00 46.75 O HETATM 1823 O HOH 18 -22.778 12.566 14.366 1.00 42.04 O HETATM 1824 O HOH 19 -23.572 22.243 14.790 1.00 55.79 O HETATM 1825 O HOH 20 -20.567 2.554 6.079 1.00 71.04 O HETATM 1826 O HOH 21 -42.719 18.356 17.205 1.00 49.28 O HETATM 1827 O HOH 22 -14.642 16.304 -6.704 1.00 67.09 O HETATM 1828 O HOH 23 -17.037 21.777 12.107 1.00 54.28 O HETATM 1829 O HOH 24 -38.971 22.735 8.175 1.00 49.46 O HETATM 1830 O HOH 25 -43.929 17.777 13.651 1.00 37.73 O HETATM 1831 O HOH 26 -19.496 9.865 -6.532 1.00 64.78 O HETATM 1832 O HOH 27 -5.837 22.342 7.468 1.00 64.33 O HETATM 1833 O HOH 28 -10.853 22.839 -0.740 1.00 62.73 O HETATM 1834 O HOH 29 -28.920 14.694 29.685 1.00 56.44 O HETATM 1835 O HOH 30 -26.196 21.821 14.558 1.00 61.24 O HETATM 1836 O HOH 31 -22.013 15.907 21.177 1.00 65.36 O HETATM 1837 O HOH 32 -15.416 13.225 15.580 1.00 52.23 O HETATM 1838 O HOH 33 -44.913 19.811 18.647 1.00 55.23 O HETATM 1839 O HOH 34 -23.925 32.521 1.908 1.00 68.02 O HETATM 1840 OAB HRJ A 35 -17.393 16.171 14.534 1.00 -0.55 O HETATM 1841 CAO HRJ A 35 -18.387 16.456 15.248 1.00 0.12 C HETATM 1842 OAE HRJ A 35 -18.304 16.417 16.473 1.00 -0.55 O HETATM 1843 CAV HRJ A 35 -19.573 16.957 14.767 1.00 0.13 C HETATM 1844 NAL HRJ A 35 -20.578 17.115 15.728 1.00 -0.26 N HETATM 1845 CAR HRJ A 35 -21.818 17.603 15.382 1.00 0.05 C HETATM 1846 CAJ HRJ A 35 -22.004 17.984 14.046 1.00 0.00 C HETATM 1847 CAW HRJ A 35 -21.028 17.826 13.055 1.00 0.15 C HETATM 1848 CAT HRJ A 35 -19.808 17.285 13.447 1.00 0.20 C HETATM 1849 OAF HRJ A 35 -18.842 17.086 12.553 1.00 -0.35 O HETATM 1850 H2 HRJ A 35 -19.146 17.356 11.694 1.00 0.22 H HETATM 1851 H1 HRJ A 35 -20.198 16.273 13.260 1.00 0.11 H HETATM 1852 OAC HRJ A 35 -21.288 18.155 11.883 1.00 -0.40 O HETATM 1853 H3 HRJ A 35 -22.958 18.426 13.764 1.00 0.06 H HETATM 1854 CAU HRJ A 35 -22.903 17.853 16.266 1.00 0.01 C HETATM 1855 CAP HRJ A 35 -24.159 17.287 16.016 1.00 -0.03 C HETATM 1856 CAA HRJ A 35 -24.383 16.366 14.949 1.00 -0.03 C HETATM 1857 H4 HRJ A 35 -25.439 16.057 14.947 1.00 0.04 H HETATM 1858 H5 HRJ A 35 -23.743 15.482 15.087 1.00 0.04 H HETATM 1859 H6 HRJ A 35 -24.140 16.849 13.991 1.00 0.04 H HETATM 1860 CAI HRJ A 35 -25.243 17.612 16.821 1.00 -0.04 C HETATM 1861 CAQ HRJ A 35 -25.141 18.487 17.913 1.00 0.02 C HETATM 1862 CAG HRJ A 35 -23.883 19.061 18.150 1.00 -0.05 C HETATM 1863 CAH HRJ A 35 -22.783 18.750 17.331 1.00 -0.05 C HETATM 1864 H8 HRJ A 35 -21.824 19.215 17.529 1.00 0.06 H HETATM 1865 H9 HRJ A 35 -23.757 19.753 18.975 1.00 0.06 H HETATM 1866 CAS HRJ A 35 -26.255 18.783 18.648 1.00 0.17 C HETATM 1867 NAK HRJ A 35 -26.305 19.238 19.909 1.00 -0.13 N HETATM 1868 OAN HRJ A 35 -27.883 19.425 20.170 1.00 -0.13 O HETATM 1869 CAX HRJ A 35 -28.457 19.091 19.033 1.00 0.38 C HETATM 1870 OAD HRJ A 35 -29.684 19.112 18.820 1.00 -0.38 O HETATM 1871 NAM HRJ A 35 -27.521 18.728 18.133 1.00 -0.19 N HETATM 1872 H10 HRJ A 35 -27.729 18.450 17.195 1.00 0.23 H HETATM 1873 H7 HRJ A 35 -26.208 17.172 16.596 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 412 410 411 1806 CONECT 518 519 528 529 530 CONECT 528 518 CONECT 529 518 CONECT 530 518 CONECT 596 594 1807 CONECT 865 864 1807 CONECT 866 864 1806 CONECT 994 992 1806 CONECT 999 998 1806 CONECT 1212 1213 1221 1222 1223 CONECT 1221 1212 CONECT 1222 1212 CONECT 1223 1212 CONECT 1806 412 866 994 999 CONECT 1807 596 865 CONECT 1840 1841 CONECT 1841 1840 1842 1843 CONECT 1842 1841 CONECT 1843 1841 1844 1848 CONECT 1844 1843 1845 CONECT 1845 1844 1846 1854 CONECT 1846 1845 1847 1853 CONECT 1847 1846 1848 1852 CONECT 1848 1843 1847 1849 1851 CONECT 1849 1848 1850 CONECT 1850 1849 CONECT 1851 1848 CONECT 1852 1847 CONECT 1853 1846 CONECT 1854 1845 1855 1863 CONECT 1855 1854 1856 1860 CONECT 1856 1855 1857 1858 1859 CONECT 1857 1856 CONECT 1858 1856 CONECT 1859 1856 CONECT 1860 1855 1861 1873 CONECT 1861 1860 1862 1866 CONECT 1862 1861 1863 1865 CONECT 1863 1854 1862 1864 CONECT 1864 1863 CONECT 1865 1862 CONECT 1866 1861 1867 1871 CONECT 1867 1866 1868 CONECT 1868 1867 1869 CONECT 1869 1868 1870 1871 CONECT 1870 1869 CONECT 1871 1866 1869 1872 CONECT 1872 1871 CONECT 1873 1860 MASTER 0 0 0 0 0 0 0 0 1870 3 54 16 END
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Pocket-Ligand
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Related entries of code: 6e4c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
204aa, >4AVG_1|Chains... at 97%
4awf
RCSB PDB
PDBbind
204aa, >4AWF_1|Chains... at 97%
4awg
RCSB PDB
PDBbind
204aa, >4AWG_1|Chains... at 97%
4awm
RCSB PDB
PDBbind
192aa, >4AWM_1|Chain... at 96%
4e5f
RCSB PDB
PDBbind
187aa, >4E5F_1|Chains... at 91%
4e5g
RCSB PDB
PDBbind
187aa, >4E5G_1|Chains... at 91%
4e5h
RCSB PDB
PDBbind
187aa, >4E5H_1|Chains... at 91%
4e5i
RCSB PDB
PDBbind
187aa, >4E5I_1|Chains... at 91%
4e5j
RCSB PDB
PDBbind
187aa, >4E5J_1|Chains... at 91%
4kil
RCSB PDB
PDBbind
213aa, >4KIL_1|Chain... at 98%
4ln7
RCSB PDB
PDBbind
209aa, >4LN7_1|Chain... at 100%
4m4q
RCSB PDB
PDBbind
241aa, >4M4Q_1|Chain... *
4m5o
RCSB PDB
PDBbind
241aa, >4M5O_1|Chain... at 100%
4m5r
RCSB PDB
PDBbind
241aa, >4M5R_1|Chain... at 100%
4m5u
RCSB PDB
PDBbind
241aa, >4M5U_1|Chain... at 100%
4mk1
RCSB PDB
PDBbind
241aa, >4MK1_1|Chain... at 100%
4mk2
RCSB PDB
PDBbind
241aa, >4MK2_1|Chain... at 100%
4mk5
RCSB PDB
PDBbind
241aa, >4MK5_1|Chain... at 100%
4w9s
RCSB PDB
PDBbind
241aa, >4W9S_1|Chain... at 100%
5cgv
RCSB PDB
PDBbind
187aa, >5CGV_1|Chain... at 94%
5ega
RCSB PDB
PDBbind
187aa, >5EGA_1|Chain... at 94%
5w44
RCSB PDB
PDBbind
178aa, >5W44_1|Chain... at 98%
5w73
RCSB PDB
PDBbind
197aa, >5W73_1|Chain... at 93%
5w7u
RCSB PDB
PDBbind
197aa, >5W7U_1|Chain... at 93%
5w92
RCSB PDB
PDBbind
197aa, >5W92_1|Chain... at 93%
5w9g
RCSB PDB
PDBbind
197aa, >5W9G_1|Chain... at 93%
5wa7
RCSB PDB
PDBbind
197aa, >5WA7_1|Chain... at 93%
5wap
RCSB PDB
PDBbind
197aa, >5WAP_1|Chain... at 93%
5wb3
RCSB PDB
PDBbind
197aa, >5WB3_1|Chain... at 93%
5wdc
RCSB PDB
PDBbind
197aa, >5WDC_1|Chain... at 93%
5wdw
RCSB PDB
PDBbind
197aa, >5WDW_1|Chain... at 93%
5we9
RCSB PDB
PDBbind
187aa, >5WE9_1|Chain... at 94%
5web
RCSB PDB
PDBbind
197aa, >5WEB_1|Chain... at 93%
5wef
RCSB PDB
PDBbind
187aa, >5WEF_1|Chain... at 93%
5wei
RCSB PDB
PDBbind
197aa, >5WEI_1|Chain... at 92%
5wf3
RCSB PDB
PDBbind
197aa, >5WF3_1|Chain... at 92%
5wfm
RCSB PDB
PDBbind
197aa, >5WFM_1|Chain... at 92%
5wfw
RCSB PDB
PDBbind
197aa, >5WFW_1|Chain... at 92%
5wfz
RCSB PDB
PDBbind
197aa, >5WFZ_1|Chain... at 92%
5wg9
RCSB PDB
PDBbind
197aa, >5WG9_1|Chain... at 92%
6dcy
RCSB PDB
PDBbind
192aa, >6DCY_1|Chain... at 96%
6dcz
RCSB PDB
PDBbind
192aa, >6DCZ_1|Chain... at 96%
6dzq
RCSB PDB
PDBbind
192aa, >6DZQ_1|Chain... at 96%
6e0q
RCSB PDB
PDBbind
192aa, >6E0Q_1|Chain... at 96%
6nem
RCSB PDB
PDBbind
241aa, >6NEM_1|Chain... at 100%
6nel
RCSB PDB
PDBbind
241aa, >6NEL_1|Chain... at 100%
6e6w
RCSB PDB
PDBbind
192aa, >6E6W_1|Chain... at 96%
6e6v
RCSB PDB
PDBbind
192aa, >6E6V_1|Chain... at 96%
6e3p
RCSB PDB
PDBbind
192aa, >6E3P_1|Chain... at 96%
6e3n
RCSB PDB
PDBbind
192aa, >6E3N_1|Chain... at 96%
6e3o
RCSB PDB
PDBbind
192aa, >6E3O_1|Chain... at 96%
6e3m
RCSB PDB
PDBbind
192aa, >6E3M_1|Chain... at 96%
5wa6
RCSB PDB
PDBbind
197aa, >5WA6_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6e4c
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Polymerase acidic protein
Ligand Name
HRJ
EC.Number
E.C.-.-.-.-
Resolution
2.35(Å)
Affinity (Kd/Ki/IC50)
IC50=120pM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 9438-9449
Ligand Properties
Formula
C
1
5
H
1
1
N
3
O
6
Molecular Weight
329.264
Exact Mass
329.065
No. of atoms
35
No. of bonds
37
Polar Surface Area
145.85
LOGP Value
2.05 (
Computed with XLOGP3
)
-0.42 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
Canonical SMILES
O=C1C=C(N=C([C@@H]1O)C(=O)O)c1ccc(cc1C)c1noc(=O)[nH]1
InChI String
InChI=1S/C15H11N3O6/c1-6-4-7(13-17-15(23)24-18-13)2-3-8(6)9-5-10(19)12(20)11(16-9)14(21)22/h2-5,12,20H,1H3,(H,21,22)(H,17,18,23)/t12-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
C3W5S0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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