Browse entries in the PDBbind-CN Database
HEADER 4W9S_COMPLEX COMPND 4W9S_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 200 GLY PRO LEU GLY SER MET GLU ASP PHE VAL ARG GLN CYS SEQRES 2 A 200 PHE ASN PRO MET ILE VAL GLU LEU ALA GLU LYS ALA MET SEQRES 3 A 200 LYS GLU TYR GLY GLU ASP PRO LYS ILE GLU THR ASN LYS SEQRES 4 A 200 PHE ALA ALA ILE CYS THR HIS LEU GLU VAL CYS PHE MET SEQRES 5 A 200 TYR SER ASP PHE HIS PHE ILE ASP GLU ARG GLY GLU SER SEQRES 6 A 200 ILE ILE VAL GLU SER GLY ASP PRO ASN ALA LEU LEU LYS SEQRES 7 A 200 HIS ARG PHE GLU ILE ILE GLU GLY ARG ASP ARG ILE MET SEQRES 8 A 200 ALA TRP THR VAL VAL ASN SER ILE CYS ASN THR THR GLY SEQRES 9 A 200 VAL GLU LYS PRO LYS PHE LEU PRO ASP LEU TYR ASP TYR SEQRES 10 A 200 LYS GLU ASN ARG PHE ILE GLU ILE GLY VAL THR ARG ARG SEQRES 11 A 200 GLU VAL HIS ILE TYR TYR LEU GLU LYS ALA ASN LYS ILE SEQRES 12 A 200 LYS SER GLU LYS THR HIS ILE HIS ILE PHE SER PHE THR SEQRES 13 A 200 GLY GLU GLU MET ALA THR LYS ALA ASP TYR THR LEU ASP SEQRES 14 A 200 GLU GLU SER ARG ALA ARG ILE LYS THR ARG LEU PHE THR SEQRES 15 A 200 ILE ARG GLN GLU MET ALA SER ARG SER LEU TRP ASP SER SEQRES 16 A 200 PHE ARG GLN SER GLU HET MN A 1 1 HET MN A 2 1 HET UNN A 356 27 ATOM 1 N GLY A -4 37.508 35.426 -15.254 1.00 92.69 N ATOM 2 CA GLY A -4 38.041 34.182 -15.873 1.00 88.45 C ATOM 3 C GLY A -4 37.290 33.844 -17.148 1.00 79.40 C ATOM 4 O GLY A -4 36.438 34.621 -17.587 1.00 80.91 O ATOM 5 HN3 GLY A -4 36.502 35.294 -15.024 1.00 0.00 H ATOM 6 HN2 GLY A -4 37.612 36.216 -15.922 1.00 0.00 H ATOM 7 HN1 GLY A -4 38.039 35.634 -14.384 1.00 0.00 H ATOM 8 N PRO A -3 37.600 32.681 -17.747 1.00 66.01 N ATOM 9 CA PRO A -3 36.911 32.236 -18.972 1.00 58.86 C ATOM 10 C PRO A -3 35.495 31.779 -18.663 1.00 52.22 C ATOM 11 O PRO A -3 35.211 31.254 -17.566 1.00 49.85 O ATOM 12 CB PRO A -3 37.759 31.064 -19.457 1.00 57.79 C ATOM 13 CG PRO A -3 38.445 30.542 -18.172 1.00 56.96 C ATOM 14 CD PRO A -3 38.664 31.750 -17.326 1.00 60.99 C ATOM 15 N LEU A -2 34.599 31.974 -19.618 1.00 50.76 N ATOM 16 CA LEU A -2 33.235 31.510 -19.458 1.00 48.22 C ATOM 17 C LEU A -2 33.131 30.050 -19.896 1.00 47.11 C ATOM 18 O LEU A -2 33.448 29.697 -21.037 1.00 48.31 O ATOM 19 CB LEU A -2 32.272 32.402 -20.247 1.00 48.51 C ATOM 20 CG LEU A -2 31.763 33.675 -19.570 1.00 48.96 C ATOM 21 CD1 LEU A -2 32.914 34.640 -19.290 1.00 51.47 C ATOM 22 CD2 LEU A -2 30.687 34.381 -20.402 1.00 49.42 C ATOM 23 H LEU A -2 34.877 32.465 -20.492 1.00 0.00 H ATOM 24 N GLY A -1 32.701 29.190 -18.986 1.00 45.17 N ATOM 25 CA GLY A -1 32.520 27.793 -19.308 1.00 44.30 C ATOM 26 C GLY A -1 31.142 27.581 -19.927 1.00 43.82 C ATOM 27 O GLY A -1 30.343 28.507 -20.011 1.00 44.45 O ATOM 28 H GLY A -1 32.490 29.525 -18.024 1.00 0.00 H ATOM 29 N SER A 0 30.850 26.369 -20.357 1.00 43.02 N ATOM 30 CA SER A 0 29.493 26.080 -20.814 1.00 41.89 C ATOM 31 C SER A 0 28.687 25.417 -19.706 1.00 39.08 C ATOM 32 O SER A 0 29.218 24.640 -18.924 1.00 38.70 O ATOM 33 CB SER A 0 29.516 25.206 -22.024 1.00 44.53 C ATOM 34 OG SER A 0 29.856 23.889 -21.704 1.00 45.13 O ATOM 35 HG SER A 0 29.192 23.523 -21.067 1.00 0.00 H ATOM 36 H SER A 0 31.578 25.627 -20.371 1.00 0.00 H ATOM 37 N MET A 1 27.403 25.744 -19.625 1.00 37.94 N ATOM 38 CA MET A 1 26.566 25.157 -18.588 1.00 36.30 C ATOM 39 C MET A 1 26.439 23.649 -18.823 1.00 35.81 C ATOM 40 O MET A 1 26.288 22.863 -17.883 1.00 34.77 O ATOM 41 CB MET A 1 25.184 25.805 -18.569 1.00 38.17 C ATOM 42 CG MET A 1 24.285 25.250 -17.471 1.00 37.23 C ATOM 43 SD MET A 1 24.932 25.531 -15.810 1.00 33.79 S ATOM 44 CE MET A 1 24.228 27.148 -15.493 1.00 44.03 C ATOM 45 H MET A 1 26.995 26.419 -20.302 1.00 0.00 H ATOM 46 N GLU A 2 26.471 23.257 -20.101 1.00 37.09 N ATOM 47 CA GLU A 2 26.471 21.838 -20.456 1.00 38.57 C ATOM 48 C GLU A 2 27.596 21.070 -19.788 1.00 37.91 C ATOM 49 O GLU A 2 27.364 20.027 -19.176 1.00 38.39 O ATOM 50 CB GLU A 2 26.585 21.653 -21.972 1.00 46.42 C ATOM 51 CG GLU A 2 26.827 20.225 -22.420 1.00 54.09 C ATOM 52 CD GLU A 2 25.587 19.408 -22.422 1.00 59.51 C ATOM 53 OE1 GLU A 2 24.580 19.951 -21.980 1.00 55.46 O ATOM 54 OE2 GLU A 2 25.594 18.286 -22.979 1.00 67.32 O ATOM 55 H GLU A 2 26.496 23.973 -20.855 1.00 0.00 H ATOM 56 N ASP A 3 28.805 21.588 -19.931 1.00 39.23 N ATOM 57 CA ASP A 3 29.981 21.021 -19.296 1.00 40.11 C ATOM 58 C ASP A 3 29.811 20.957 -17.766 1.00 39.41 C ATOM 59 O ASP A 3 30.121 19.963 -17.137 1.00 40.34 O ATOM 60 CB ASP A 3 31.219 21.863 -19.646 1.00 41.92 C ATOM 61 CG ASP A 3 31.725 21.622 -21.059 1.00 45.25 C ATOM 62 OD1 ASP A 3 31.097 20.842 -21.814 1.00 46.47 O ATOM 63 OD2 ASP A 3 32.750 22.255 -21.412 1.00 46.55 O ATOM 64 H ASP A 3 28.918 22.436 -20.522 1.00 0.00 H ATOM 65 N PHE A 4 29.326 22.037 -17.176 1.00 37.89 N ATOM 66 CA PHE A 4 29.127 22.063 -15.744 1.00 36.41 C ATOM 67 C PHE A 4 28.181 20.929 -15.291 1.00 35.97 C ATOM 68 O PHE A 4 28.455 20.198 -14.317 1.00 35.81 O ATOM 69 CB PHE A 4 28.560 23.399 -15.296 1.00 35.39 C ATOM 70 CG PHE A 4 28.127 23.386 -13.860 1.00 35.67 C ATOM 71 CD1 PHE A 4 29.064 23.490 -12.861 1.00 38.20 C ATOM 72 CD2 PHE A 4 26.800 23.208 -13.508 1.00 34.22 C ATOM 73 CE1 PHE A 4 28.682 23.453 -11.508 1.00 37.47 C ATOM 74 CE2 PHE A 4 26.428 23.161 -12.127 1.00 34.07 C ATOM 75 CZ PHE A 4 27.369 23.284 -11.174 1.00 35.69 C ATOM 76 H PHE A 4 29.086 22.873 -17.746 1.00 0.00 H ATOM 77 N VAL A 5 27.059 20.805 -15.983 1.00 34.14 N ATOM 78 CA VAL A 5 26.086 19.806 -15.613 1.00 34.31 C ATOM 79 C VAL A 5 26.664 18.399 -15.699 1.00 35.02 C ATOM 80 O VAL A 5 26.492 17.603 -14.764 1.00 35.99 O ATOM 81 CB VAL A 5 24.827 19.901 -16.495 1.00 36.42 C ATOM 82 CG1 VAL A 5 23.945 18.663 -16.331 1.00 36.08 C ATOM 83 CG2 VAL A 5 24.053 21.161 -16.132 1.00 36.56 C ATOM 84 H VAL A 5 26.879 21.429 -16.795 1.00 0.00 H ATOM 85 N ARG A 6 27.340 18.084 -16.794 1.00 35.92 N ATOM 86 CA ARG A 6 27.812 16.728 -16.989 1.00 38.87 C ATOM 87 C ARG A 6 28.975 16.419 -16.072 1.00 38.61 C ATOM 88 O ARG A 6 29.182 15.263 -15.721 1.00 39.70 O ATOM 89 CB ARG A 6 28.209 16.496 -18.450 1.00 45.19 C ATOM 90 CG ARG A 6 27.019 16.647 -19.354 1.00 50.07 C ATOM 91 CD ARG A 6 27.117 15.857 -20.625 1.00 54.98 C ATOM 92 NE ARG A 6 25.923 16.078 -21.431 1.00 53.79 N ATOM 93 CZ ARG A 6 24.833 15.319 -21.413 1.00 52.11 C ATOM 94 NH1 ARG A 6 24.750 14.230 -20.651 1.00 48.76 N ATOM 95 NH2 ARG A 6 23.824 15.643 -22.197 1.00 54.78 N ATOM 96 HE ARG A 6 25.924 16.897 -22.072 1.00 0.00 H ATOM 97 HH12 ARG A 6 23.883 13.655 -20.658 1.00 0.00 H ATOM 98 HH11 ARG A 6 25.552 13.954 -20.049 1.00 0.00 H ATOM 99 HH22 ARG A 6 22.961 15.063 -22.200 1.00 0.00 H ATOM 100 HH21 ARG A 6 23.891 16.478 -22.813 1.00 0.00 H ATOM 101 H ARG A 6 27.532 18.810 -17.514 1.00 0.00 H ATOM 102 N GLN A 7 29.705 17.447 -15.655 1.00 38.43 N ATOM 103 CA GLN A 7 30.869 17.216 -14.828 1.00 40.76 C ATOM 104 C GLN A 7 30.496 17.164 -13.365 1.00 40.21 C ATOM 105 O GLN A 7 31.178 16.500 -12.591 1.00 44.41 O ATOM 106 CB GLN A 7 31.913 18.292 -15.062 1.00 43.93 C ATOM 107 CG GLN A 7 32.542 18.130 -16.439 1.00 47.79 C ATOM 108 CD GLN A 7 33.311 19.339 -16.900 1.00 47.95 C ATOM 109 OE1 GLN A 7 33.538 20.288 -16.147 1.00 46.10 O ATOM 110 NE2 GLN A 7 33.742 19.298 -18.144 1.00 49.47 N ATOM 111 HE22 GLN A 7 33.526 18.475 -18.742 1.00 0.00 H ATOM 112 HE21 GLN A 7 34.299 20.088 -18.528 1.00 0.00 H ATOM 113 H GLN A 7 29.440 18.416 -15.923 1.00 0.00 H ATOM 114 N CYS A 8 29.416 17.843 -12.993 1.00 36.63 N ATOM 115 CA CYS A 8 29.137 18.071 -11.581 1.00 36.94 C ATOM 116 C CYS A 8 27.915 17.383 -11.011 1.00 35.15 C ATOM 117 O CYS A 8 27.803 17.290 -9.806 1.00 34.57 O ATOM 118 CB CYS A 8 29.035 19.567 -11.357 1.00 37.99 C ATOM 119 SG CYS A 8 30.702 20.369 -11.706 1.00 50.18 S ATOM 120 H CYS A 8 28.765 18.214 -13.714 1.00 0.00 H ATOM 121 N PHE A 9 27.070 16.804 -11.855 1.00 35.17 N ATOM 122 CA PHE A 9 25.979 15.954 -11.381 1.00 33.83 C ATOM 123 C PHE A 9 26.220 14.512 -11.784 1.00 34.58 C ATOM 124 O PHE A 9 26.827 14.232 -12.809 1.00 35.83 O ATOM 125 CB PHE A 9 24.644 16.403 -11.946 1.00 32.82 C ATOM 126 CG PHE A 9 24.175 17.692 -11.400 1.00 31.15 C ATOM 127 CD1 PHE A 9 23.587 17.761 -10.146 1.00 30.56 C ATOM 128 CD2 PHE A 9 24.348 18.848 -12.127 1.00 31.21 C ATOM 129 CE1 PHE A 9 23.159 18.953 -9.660 1.00 29.80 C ATOM 130 CE2 PHE A 9 23.923 20.048 -11.629 1.00 30.14 C ATOM 131 CZ PHE A 9 23.359 20.107 -10.412 1.00 29.80 C ATOM 132 H PHE A 9 27.187 16.958 -12.877 1.00 0.00 H ATOM 133 N ASN A 10 25.761 13.606 -10.929 1.00 36.59 N ATOM 134 CA ASN A 10 25.811 12.177 -11.184 1.00 41.53 C ATOM 135 C ASN A 10 25.103 11.837 -12.506 1.00 38.61 C ATOM 136 O ASN A 10 24.099 12.459 -12.860 1.00 37.15 O ATOM 137 CB ASN A 10 25.158 11.433 -10.004 1.00 51.21 C ATOM 138 CG ASN A 10 25.161 9.938 -10.181 1.00 66.88 C ATOM 139 OD1 ASN A 10 24.389 9.394 -10.964 1.00 70.89 O ATOM 140 ND2 ASN A 10 26.015 9.256 -9.429 1.00 76.15 N ATOM 141 HD22 ASN A 10 26.652 9.759 -8.778 1.00 0.00 H ATOM 142 HD21 ASN A 10 26.048 8.218 -9.490 1.00 0.00 H ATOM 143 H ASN A 10 25.346 13.935 -10.034 1.00 0.00 H ATOM 144 N PRO A 11 25.608 10.847 -13.233 1.00 39.99 N ATOM 145 CA PRO A 11 25.003 10.580 -14.549 1.00 40.32 C ATOM 146 C PRO A 11 23.524 10.194 -14.470 1.00 39.98 C ATOM 147 O PRO A 11 22.762 10.493 -15.395 1.00 42.39 O ATOM 148 CB PRO A 11 25.849 9.426 -15.092 1.00 44.79 C ATOM 149 CG PRO A 11 27.144 9.557 -14.396 1.00 47.03 C ATOM 150 CD PRO A 11 26.826 10.052 -13.019 1.00 44.04 C ATOM 151 N MET A 12 23.134 9.541 -13.387 1.00 38.32 N ATOM 152 CA MET A 12 21.738 9.148 -13.185 1.00 41.80 C ATOM 153 C MET A 12 20.851 10.381 -13.158 1.00 39.08 C ATOM 154 O MET A 12 19.814 10.423 -13.802 1.00 40.09 O ATOM 155 CB MET A 12 21.565 8.353 -11.889 1.00 50.16 C ATOM 156 CG MET A 12 20.093 8.025 -11.524 1.00 61.57 C ATOM 157 SD MET A 12 19.838 7.523 -9.810 1.00158.08 S ATOM 158 CE MET A 12 20.296 9.010 -8.921 1.00 64.08 C ATOM 159 H MET A 12 23.838 9.301 -12.660 1.00 0.00 H ATOM 160 N ILE A 13 21.257 11.382 -12.387 1.00 36.01 N ATOM 161 CA ILE A 13 20.519 12.628 -12.296 1.00 32.96 C ATOM 162 C ILE A 13 20.447 13.317 -13.655 1.00 31.94 C ATOM 163 O ILE A 13 19.399 13.780 -14.079 1.00 31.44 O ATOM 164 CB ILE A 13 21.169 13.550 -11.252 1.00 36.17 C ATOM 165 CG1 ILE A 13 20.864 12.987 -9.854 1.00 45.15 C ATOM 166 CG2 ILE A 13 20.653 14.980 -11.371 1.00 32.95 C ATOM 167 CD1 ILE A 13 21.578 13.632 -8.759 1.00 52.74 C ATOM 168 H ILE A 13 22.129 11.270 -11.832 1.00 0.00 H ATOM 169 N VAL A 14 21.573 13.411 -14.338 1.00 32.82 N ATOM 170 CA VAL A 14 21.588 14.074 -15.634 1.00 33.20 C ATOM 171 C VAL A 14 20.623 13.386 -16.613 1.00 34.26 C ATOM 172 O VAL A 14 19.854 14.042 -17.325 1.00 35.11 O ATOM 173 CB VAL A 14 23.017 14.098 -16.205 1.00 35.63 C ATOM 174 CG1 VAL A 14 23.031 14.703 -17.563 1.00 37.01 C ATOM 175 CG2 VAL A 14 23.936 14.885 -15.290 1.00 35.45 C ATOM 176 H VAL A 14 22.451 13.011 -13.949 1.00 0.00 H ATOM 177 N GLU A 15 20.652 12.068 -16.630 1.00 35.66 N ATOM 178 CA GLU A 15 19.805 11.281 -17.537 1.00 40.11 C ATOM 179 C GLU A 15 18.320 11.509 -17.225 1.00 36.21 C ATOM 180 O GLU A 15 17.497 11.730 -18.129 1.00 36.95 O ATOM 181 CB GLU A 15 20.160 9.807 -17.404 1.00 50.32 C ATOM 182 CG GLU A 15 19.438 8.868 -18.323 1.00 62.81 C ATOM 183 CD GLU A 15 19.936 7.434 -18.166 1.00 73.90 C ATOM 184 OE1 GLU A 15 20.657 7.156 -17.177 1.00 76.49 O ATOM 185 OE2 GLU A 15 19.640 6.594 -19.045 1.00 79.42 O ATOM 186 H GLU A 15 21.294 11.570 -15.981 1.00 0.00 H ATOM 187 N LEU A 16 17.975 11.494 -15.933 1.00 34.80 N ATOM 188 CA LEU A 16 16.596 11.729 -15.537 1.00 34.08 C ATOM 189 C LEU A 16 16.150 13.131 -15.897 1.00 33.14 C ATOM 190 O LEU A 16 15.007 13.346 -16.272 1.00 33.55 O ATOM 191 CB LEU A 16 16.409 11.500 -14.021 1.00 33.06 C ATOM 192 CG LEU A 16 16.538 10.044 -13.574 1.00 36.71 C ATOM 193 CD1 LEU A 16 16.396 9.986 -12.056 1.00 40.38 C ATOM 194 CD2 LEU A 16 15.530 9.152 -14.226 1.00 37.41 C ATOM 195 H LEU A 16 18.698 11.313 -15.207 1.00 0.00 H ATOM 196 N ALA A 17 17.049 14.105 -15.773 1.00 32.20 N ATOM 197 CA ALA A 17 16.731 15.480 -16.166 1.00 32.43 C ATOM 198 C ALA A 17 16.514 15.595 -17.682 1.00 34.93 C ATOM 199 O ALA A 17 15.594 16.288 -18.154 1.00 34.92 O ATOM 200 CB ALA A 17 17.834 16.437 -15.719 1.00 31.98 C ATOM 201 H ALA A 17 17.991 13.886 -15.391 1.00 0.00 H ATOM 202 N GLU A 18 17.384 14.942 -18.445 1.00 36.08 N ATOM 203 CA GLU A 18 17.242 14.910 -19.894 1.00 38.67 C ATOM 204 C GLU A 18 15.907 14.316 -20.303 1.00 38.85 C ATOM 205 O GLU A 18 15.227 14.835 -21.184 1.00 40.21 O ATOM 206 CB GLU A 18 18.361 14.099 -20.519 1.00 42.88 C ATOM 207 CG GLU A 18 19.679 14.830 -20.537 1.00 46.92 C ATOM 208 CD GLU A 18 20.810 14.011 -21.150 1.00 56.09 C ATOM 209 OE1 GLU A 18 20.998 12.822 -20.808 1.00 59.63 O ATOM 210 OE2 GLU A 18 21.519 14.577 -21.975 1.00 60.52 O ATOM 211 H GLU A 18 18.181 14.445 -17.999 1.00 0.00 H ATOM 212 N LYS A 19 15.555 13.221 -19.650 1.00 39.60 N ATOM 213 CA LYS A 19 14.311 12.497 -19.937 1.00 44.53 C ATOM 214 C LYS A 19 13.112 13.394 -19.638 1.00 41.30 C ATOM 215 O LYS A 19 12.181 13.475 -20.437 1.00 42.57 O ATOM 216 CB LYS A 19 14.259 11.212 -19.122 1.00 53.47 C ATOM 217 CG LYS A 19 15.145 10.108 -19.689 1.00 68.82 C ATOM 218 CD LYS A 19 14.870 8.767 -19.007 1.00 83.38 C ATOM 219 CE LYS A 19 15.529 7.596 -19.744 1.00 95.12 C ATOM 220 NZ LYS A 19 17.000 7.544 -19.573 1.00 98.52 N ATOM 221 HZ1 LYS A 19 17.422 8.421 -19.940 1.00 0.00 H ATOM 222 HZ2 LYS A 19 17.227 7.445 -18.563 1.00 0.00 H ATOM 223 HZ3 LYS A 19 17.380 6.730 -20.097 1.00 0.00 H ATOM 224 H LYS A 19 16.184 12.859 -18.905 1.00 0.00 H ATOM 225 N ALA A 20 13.182 14.131 -18.534 1.00 37.87 N ATOM 226 CA ALA A 20 12.121 15.067 -18.140 1.00 37.23 C ATOM 227 C ALA A 20 11.956 16.217 -19.152 1.00 36.79 C ATOM 228 O ALA A 20 10.824 16.530 -19.568 1.00 38.18 O ATOM 229 CB ALA A 20 12.404 15.624 -16.772 1.00 37.11 C ATOM 230 H ALA A 20 14.021 14.041 -17.926 1.00 0.00 H ATOM 231 N MET A 21 13.068 16.815 -19.585 1.00 36.37 N ATOM 232 CA MET A 21 12.997 17.891 -20.559 1.00 37.48 C ATOM 233 C MET A 21 12.455 17.377 -21.894 1.00 40.14 C ATOM 234 O MET A 21 11.657 18.053 -22.537 1.00 42.28 O ATOM 235 CB MET A 21 14.379 18.544 -20.724 1.00 36.73 C ATOM 236 CG MET A 21 14.798 19.221 -19.411 1.00 34.62 C ATOM 237 SD MET A 21 16.319 20.151 -19.611 1.00 37.37 S ATOM 238 CE MET A 21 15.766 21.538 -20.604 1.00 43.44 C ATOM 239 H MET A 21 13.993 16.508 -19.222 1.00 0.00 H ATOM 240 N LYS A 22 12.868 16.186 -22.308 1.00 41.06 N ATOM 241 CA LYS A 22 12.347 15.602 -23.569 1.00 45.87 C ATOM 242 C LYS A 22 10.831 15.458 -23.501 1.00 45.33 C ATOM 243 O LYS A 22 10.103 15.772 -24.460 1.00 47.80 O ATOM 244 CB LYS A 22 12.979 14.236 -23.842 1.00 50.42 C ATOM 245 CG LYS A 22 12.486 13.514 -25.123 1.00 60.49 C ATOM 246 CD LYS A 22 12.801 14.316 -26.353 1.00 69.34 C ATOM 247 CE LYS A 22 12.452 13.544 -27.627 1.00 80.33 C ATOM 248 NZ LYS A 22 12.711 14.335 -28.873 1.00 86.48 N ATOM 249 HZ1 LYS A 22 12.136 15.202 -28.858 1.00 0.00 H ATOM 250 HZ2 LYS A 22 13.719 14.587 -28.919 1.00 0.00 H ATOM 251 HZ3 LYS A 22 12.457 13.764 -29.704 1.00 0.00 H ATOM 252 H LYS A 22 13.563 15.657 -21.744 1.00 0.00 H ATOM 253 N GLU A 23 10.362 14.999 -22.354 1.00 43.84 N ATOM 254 CA GLU A 23 8.954 14.678 -22.166 1.00 45.28 C ATOM 255 C GLU A 23 8.146 15.969 -22.337 1.00 47.09 C ATOM 256 O GLU A 23 7.078 15.953 -22.948 1.00 50.18 O ATOM 257 CB GLU A 23 8.764 14.009 -20.787 1.00 43.90 C ATOM 258 CG GLU A 23 7.361 13.701 -20.357 1.00 49.31 C ATOM 259 CD GLU A 23 7.329 12.900 -19.018 1.00 62.23 C ATOM 260 OE1 GLU A 23 7.961 13.335 -18.021 1.00 66.30 O ATOM 261 OE2 GLU A 23 6.674 11.839 -18.961 1.00 59.44 O ATOM 262 H GLU A 23 11.020 14.863 -21.560 1.00 0.00 H ATOM 263 N TYR A 24 8.735 17.101 -21.929 1.00 46.01 N ATOM 264 CA TYR A 24 8.076 18.403 -22.037 1.00 53.21 C ATOM 265 C TYR A 24 8.483 19.206 -23.267 1.00 51.55 C ATOM 266 O TYR A 24 8.096 20.359 -23.411 1.00 52.17 O ATOM 267 CB TYR A 24 8.348 19.230 -20.783 1.00 67.30 C ATOM 268 CG TYR A 24 7.683 18.660 -19.545 1.00 86.49 C ATOM 269 CD1 TYR A 24 6.303 18.590 -19.443 1.00 95.81 C ATOM 270 CD2 TYR A 24 8.444 18.180 -18.479 1.00 94.07 C ATOM 271 CE1 TYR A 24 5.699 18.062 -18.315 1.00 99.99 C ATOM 272 CE2 TYR A 24 7.849 17.651 -17.350 1.00 97.39 C ATOM 273 CZ TYR A 24 6.481 17.597 -17.274 1.00100.08 C ATOM 274 OH TYR A 24 5.893 17.075 -16.150 1.00101.57 O ATOM 275 HH TYR A 24 6.163 17.607 -15.360 1.00 0.00 H ATOM 276 H TYR A 24 9.691 17.053 -21.523 1.00 0.00 H ATOM 277 N GLY A 25 9.234 18.606 -24.182 1.00 52.92 N ATOM 278 CA GLY A 25 9.552 19.269 -25.431 1.00 54.85 C ATOM 279 C GLY A 25 10.579 20.393 -25.300 1.00 53.97 C ATOM 280 O GLY A 25 10.556 21.356 -26.066 1.00 58.14 O ATOM 281 H GLY A 25 9.599 17.649 -24.001 1.00 0.00 H ATOM 282 N GLU A 26 11.519 20.233 -24.375 1.00 48.95 N ATOM 283 CA GLU A 26 12.523 21.253 -24.101 1.00 48.87 C ATOM 284 C GLU A 26 13.865 20.648 -24.428 1.00 50.38 C ATOM 285 O GLU A 26 14.089 19.488 -24.128 1.00 51.87 O ATOM 286 CB GLU A 26 12.492 21.694 -22.609 1.00 47.47 C ATOM 287 CG GLU A 26 11.198 22.402 -22.164 1.00 51.09 C ATOM 288 CD GLU A 26 10.910 22.282 -20.674 1.00 53.25 C ATOM 289 OE1 GLU A 26 11.426 21.365 -19.992 1.00 52.14 O ATOM 290 OE2 GLU A 26 10.164 23.142 -20.167 1.00 56.71 O ATOM 291 H GLU A 26 11.539 19.349 -23.827 1.00 0.00 H ATOM 292 N ASP A 27 14.768 21.422 -25.034 1.00 48.84 N ATOM 293 CA ASP A 27 16.057 20.886 -25.447 1.00 46.05 C ATOM 294 C ASP A 27 17.115 21.233 -24.393 1.00 42.89 C ATOM 295 O ASP A 27 17.387 22.419 -24.189 1.00 44.16 O ATOM 296 CB ASP A 27 16.476 21.466 -26.791 1.00 50.49 C ATOM 297 CG ASP A 27 17.610 20.682 -27.445 1.00 57.97 C ATOM 298 OD1 ASP A 27 18.536 20.252 -26.743 1.00 52.05 O ATOM 299 OD2 ASP A 27 17.604 20.526 -28.690 1.00 70.67 O ATOM 300 H ASP A 27 14.548 22.422 -25.214 1.00 0.00 H ATOM 301 N PRO A 28 17.725 20.224 -23.739 1.00 41.86 N ATOM 302 CA PRO A 28 18.739 20.536 -22.720 1.00 40.75 C ATOM 303 C PRO A 28 19.910 21.352 -23.268 1.00 42.61 C ATOM 304 O PRO A 28 20.654 21.904 -22.474 1.00 41.57 O ATOM 305 CB PRO A 28 19.232 19.160 -22.273 1.00 43.96 C ATOM 306 CG PRO A 28 18.172 18.209 -22.687 1.00 46.89 C ATOM 307 CD PRO A 28 17.561 18.773 -23.908 1.00 45.87 C ATOM 308 N LYS A 29 20.082 21.412 -24.578 1.00 49.05 N ATOM 309 CA LYS A 29 21.271 22.080 -25.100 1.00 52.88 C ATOM 310 C LYS A 29 20.992 23.521 -25.456 1.00 52.58 C ATOM 311 O LYS A 29 21.905 24.249 -25.835 1.00 54.73 O ATOM 312 CB LYS A 29 21.797 21.333 -26.311 1.00 59.43 C ATOM 313 CG LYS A 29 22.667 20.154 -25.923 1.00 66.65 C ATOM 314 CD LYS A 29 22.398 18.976 -26.814 1.00 78.19 C ATOM 315 CE LYS A 29 23.524 17.968 -26.744 1.00 86.10 C ATOM 316 NZ LYS A 29 23.282 16.834 -27.697 1.00 91.86 N ATOM 317 HZ1 LYS A 29 22.390 16.360 -27.450 1.00 0.00 H ATOM 318 HZ2 LYS A 29 23.222 17.205 -28.667 1.00 0.00 H ATOM 319 HZ3 LYS A 29 24.067 16.155 -27.632 1.00 0.00 H ATOM 320 H LYS A 29 19.384 20.991 -25.224 1.00 0.00 H ATOM 321 N ILE A 30 19.760 23.959 -25.234 1.00 49.87 N ATOM 322 CA ILE A 30 19.375 25.335 -25.522 1.00 50.71 C ATOM 323 C ILE A 30 18.830 25.995 -24.241 1.00 51.27 C ATOM 324 O ILE A 30 19.272 27.097 -23.849 1.00 48.16 O ATOM 325 CB ILE A 30 18.352 25.383 -26.665 1.00 50.17 C ATOM 326 CG1 ILE A 30 19.052 24.977 -27.960 1.00 52.28 C ATOM 327 CG2 ILE A 30 17.698 26.769 -26.786 1.00 49.10 C ATOM 328 CD1 ILE A 30 18.127 24.763 -29.159 1.00 57.62 C ATOM 329 H ILE A 30 19.051 23.305 -24.845 1.00 0.00 H ATOM 330 N GLU A 31 17.977 25.268 -23.524 1.00 50.72 N ATOM 331 CA GLU A 31 17.515 25.724 -22.225 1.00 47.17 C ATOM 332 C GLU A 31 18.453 25.148 -21.150 1.00 39.95 C ATOM 333 O GLU A 31 18.131 24.200 -20.438 1.00 36.34 O ATOM 334 CB GLU A 31 16.058 25.320 -22.030 1.00 50.63 C ATOM 335 CG GLU A 31 15.102 26.247 -22.801 1.00 58.53 C ATOM 336 CD GLU A 31 13.671 25.758 -22.775 1.00 67.48 C ATOM 337 OE1 GLU A 31 12.850 26.354 -22.035 1.00 68.55 O ATOM 338 OE2 GLU A 31 13.349 24.826 -23.544 1.00 74.84 O ATOM 339 H GLU A 31 17.636 24.360 -23.899 1.00 0.00 H ATOM 340 N THR A 32 19.665 25.697 -21.114 1.00 40.35 N ATOM 341 CA THR A 32 20.728 25.136 -20.296 1.00 39.45 C ATOM 342 C THR A 32 20.606 25.506 -18.853 1.00 36.17 C ATOM 343 O THR A 32 20.907 24.685 -17.993 1.00 33.54 O ATOM 344 CB THR A 32 22.091 25.584 -20.814 1.00 43.82 C ATOM 345 OG1 THR A 32 22.176 27.010 -20.760 1.00 44.02 O ATOM 346 CG2 THR A 32 22.213 25.168 -22.233 1.00 48.81 C ATOM 347 HG1 THR A 32 23.061 27.300 -21.096 1.00 0.00 H ATOM 348 H THR A 32 19.856 26.546 -21.684 1.00 0.00 H ATOM 349 N ASN A 33 20.177 26.737 -18.571 1.00 38.17 N ATOM 350 CA ASN A 33 19.939 27.146 -17.191 1.00 39.39 C ATOM 351 C ASN A 33 18.802 26.270 -16.647 1.00 37.26 C ATOM 352 O ASN A 33 18.857 25.798 -15.517 1.00 36.12 O ATOM 353 CB ASN A 33 19.591 28.638 -17.078 1.00 43.82 C ATOM 354 CG ASN A 33 20.805 29.549 -17.241 1.00 48.55 C ATOM 355 OD1 ASN A 33 21.942 29.167 -16.943 1.00 48.10 O ATOM 356 ND2 ASN A 33 20.559 30.770 -17.722 1.00 51.98 N ATOM 357 HD22 ASN A 33 19.586 31.049 -17.960 1.00 0.00 H ATOM 358 HD21 ASN A 33 21.341 31.442 -17.859 1.00 0.00 H ATOM 359 H ASN A 33 20.010 27.413 -19.344 1.00 0.00 H ATOM 360 N LYS A 34 17.802 26.002 -17.477 1.00 37.12 N ATOM 361 CA LYS A 34 16.716 25.116 -17.045 1.00 35.05 C ATOM 362 C LYS A 34 17.223 23.700 -16.753 1.00 33.94 C ATOM 363 O LYS A 34 16.848 23.071 -15.772 1.00 33.30 O ATOM 364 CB LYS A 34 15.633 25.073 -18.118 1.00 37.45 C ATOM 365 CG LYS A 34 14.480 24.117 -17.802 1.00 40.02 C ATOM 366 CD LYS A 34 13.409 24.151 -18.892 1.00 47.05 C ATOM 367 CE LYS A 34 12.347 25.200 -18.593 1.00 53.12 C ATOM 368 NZ LYS A 34 11.496 25.510 -19.797 1.00 61.83 N ATOM 369 HZ1 LYS A 34 12.100 25.871 -20.563 1.00 0.00 H ATOM 370 HZ2 LYS A 34 11.015 24.644 -20.112 1.00 0.00 H ATOM 371 HZ3 LYS A 34 10.788 26.229 -19.544 1.00 0.00 H ATOM 372 H LYS A 34 17.788 26.418 -18.430 1.00 0.00 H ATOM 373 N PHE A 35 18.066 23.194 -17.634 1.00 34.02 N ATOM 374 CA PHE A 35 18.681 21.884 -17.459 1.00 33.29 C ATOM 375 C PHE A 35 19.346 21.823 -16.086 1.00 31.17 C ATOM 376 O PHE A 35 19.119 20.901 -15.294 1.00 29.80 O ATOM 377 CB PHE A 35 19.675 21.699 -18.605 1.00 34.97 C ATOM 378 CG PHE A 35 20.266 20.322 -18.747 1.00 35.64 C ATOM 379 CD1 PHE A 35 19.649 19.199 -18.261 1.00 34.79 C ATOM 380 CD2 PHE A 35 21.471 20.179 -19.393 1.00 39.72 C ATOM 381 CE1 PHE A 35 20.221 17.957 -18.439 1.00 37.10 C ATOM 382 CE2 PHE A 35 22.037 18.940 -19.587 1.00 42.62 C ATOM 383 CZ PHE A 35 21.424 17.839 -19.092 1.00 41.14 C ATOM 384 H PHE A 35 18.299 23.749 -18.482 1.00 0.00 H ATOM 385 N ALA A 36 20.171 22.823 -15.795 1.00 31.45 N ATOM 386 CA ALA A 36 20.864 22.876 -14.488 1.00 29.88 C ATOM 387 C ALA A 36 19.918 22.994 -13.296 1.00 28.90 C ATOM 388 O ALA A 36 20.162 22.417 -12.209 1.00 27.13 O ATOM 389 CB ALA A 36 21.874 24.050 -14.472 1.00 29.78 C ATOM 390 H ALA A 36 20.332 23.577 -16.493 1.00 0.00 H ATOM 391 N ALA A 37 18.851 23.756 -13.463 1.00 30.12 N ATOM 392 CA ALA A 37 17.849 23.886 -12.403 1.00 30.72 C ATOM 393 C ALA A 37 17.110 22.566 -12.151 1.00 29.40 C ATOM 394 O ALA A 37 16.825 22.186 -11.013 1.00 29.22 O ATOM 395 CB ALA A 37 16.869 24.956 -12.777 1.00 32.51 C ATOM 396 H ALA A 37 18.721 24.269 -14.358 1.00 0.00 H ATOM 397 N ILE A 38 16.815 21.865 -13.221 1.00 27.99 N ATOM 398 CA ILE A 38 16.125 20.579 -13.118 1.00 28.00 C ATOM 399 C ILE A 38 17.048 19.559 -12.446 1.00 26.91 C ATOM 400 O ILE A 38 16.613 18.813 -11.563 1.00 25.81 O ATOM 401 CB ILE A 38 15.654 20.067 -14.483 1.00 30.35 C ATOM 402 CG1 ILE A 38 14.462 20.899 -14.964 1.00 33.17 C ATOM 403 CG2 ILE A 38 15.209 18.570 -14.410 1.00 29.00 C ATOM 404 CD1 ILE A 38 14.061 20.650 -16.419 1.00 36.92 C ATOM 405 H ILE A 38 17.077 22.230 -14.159 1.00 0.00 H ATOM 406 N CYS A 39 18.324 19.537 -12.826 1.00 27.22 N ATOM 407 CA CYS A 39 19.291 18.628 -12.159 1.00 27.77 C ATOM 408 C CYS A 39 19.390 18.926 -10.658 1.00 26.44 C ATOM 409 O CYS A 39 19.408 18.024 -9.833 1.00 26.10 O ATOM 410 CB CYS A 39 20.673 18.743 -12.783 1.00 29.07 C ATOM 411 SG CYS A 39 20.765 17.964 -14.431 1.00 31.23 S ATOM 412 H CYS A 39 18.645 20.160 -13.594 1.00 0.00 H ATOM 413 N THR A 40 19.512 20.208 -10.343 1.00 25.38 N ATOM 414 CA THR A 40 19.666 20.658 -8.967 1.00 25.97 C ATOM 415 C THR A 40 18.484 20.243 -8.106 1.00 25.97 C ATOM 416 O THR A 40 18.660 19.685 -7.016 1.00 26.09 O ATOM 417 CB THR A 40 19.806 22.166 -8.889 1.00 27.33 C ATOM 418 OG1 THR A 40 20.976 22.587 -9.606 1.00 28.38 O ATOM 419 CG2 THR A 40 19.968 22.594 -7.431 1.00 27.61 C ATOM 420 HG1 THR A 40 20.896 22.315 -10.555 1.00 0.00 H ATOM 421 H THR A 40 19.497 20.916 -11.105 1.00 0.00 H ATOM 422 N HIS A 41 17.286 20.532 -8.582 1.00 25.63 N ATOM 423 CA HIS A 41 16.073 20.152 -7.865 1.00 25.80 C ATOM 424 C HIS A 41 15.980 18.624 -7.686 1.00 25.33 C ATOM 425 O HIS A 41 15.622 18.124 -6.630 1.00 25.94 O ATOM 426 CB HIS A 41 14.882 20.705 -8.621 1.00 25.86 C ATOM 427 CG HIS A 41 13.559 20.257 -8.082 1.00 25.56 C ATOM 428 ND1 HIS A 41 12.928 19.124 -8.539 1.00 25.29 N ATOM 429 CD2 HIS A 41 12.766 20.770 -7.114 1.00 26.33 C ATOM 430 CE1 HIS A 41 11.784 18.967 -7.880 1.00 27.79 C ATOM 431 NE2 HIS A 41 11.676 19.942 -6.995 1.00 27.06 N ATOM 432 H HIS A 41 17.206 21.040 -9.486 1.00 0.00 H ATOM 433 N LEU A 42 16.304 17.876 -8.736 1.00 24.02 N ATOM 434 CA LEU A 42 16.229 16.421 -8.659 1.00 25.31 C ATOM 435 C LEU A 42 17.225 15.968 -7.607 1.00 24.46 C ATOM 436 O LEU A 42 16.925 15.114 -6.786 1.00 24.52 O ATOM 437 CB LEU A 42 16.544 15.792 -10.017 1.00 32.76 C ATOM 438 CG LEU A 42 16.253 14.309 -10.194 1.00 44.09 C ATOM 439 CD1 LEU A 42 14.818 13.978 -9.865 1.00 45.94 C ATOM 440 CD2 LEU A 42 16.555 13.899 -11.630 1.00 51.68 C ATOM 441 H LEU A 42 16.613 18.331 -9.619 1.00 0.00 H ATOM 442 N GLU A 43 18.426 16.534 -7.639 1.00 25.68 N ATOM 443 CA GLU A 43 19.425 16.122 -6.650 1.00 26.56 C ATOM 444 C GLU A 43 18.964 16.428 -5.206 1.00 26.20 C ATOM 445 O GLU A 43 19.235 15.638 -4.270 1.00 25.85 O ATOM 446 CB GLU A 43 20.771 16.792 -6.880 1.00 29.77 C ATOM 447 CG GLU A 43 21.808 16.176 -5.977 1.00 35.88 C ATOM 448 CD GLU A 43 23.190 16.608 -6.269 1.00 45.81 C ATOM 449 OE1 GLU A 43 23.377 17.770 -6.646 1.00 44.49 O ATOM 450 OE2 GLU A 43 24.100 15.784 -6.095 1.00 55.54 O ATOM 451 H GLU A 43 18.653 17.256 -8.352 1.00 0.00 H ATOM 452 N VAL A 44 18.294 17.561 -5.021 1.00 25.37 N ATOM 453 CA VAL A 44 17.830 17.921 -3.680 1.00 25.54 C ATOM 454 C VAL A 44 16.769 16.905 -3.251 1.00 25.79 C ATOM 455 O VAL A 44 16.784 16.428 -2.100 1.00 26.34 O ATOM 456 CB VAL A 44 17.291 19.347 -3.641 1.00 25.40 C ATOM 457 CG1 VAL A 44 16.613 19.623 -2.323 1.00 25.95 C ATOM 458 CG2 VAL A 44 18.467 20.349 -3.800 1.00 27.55 C ATOM 459 H VAL A 44 18.100 18.190 -5.826 1.00 0.00 H ATOM 460 N CYS A 45 15.887 16.521 -4.166 1.00 25.64 N ATOM 461 CA CYS A 45 14.876 15.501 -3.842 1.00 26.28 C ATOM 462 C CYS A 45 15.524 14.193 -3.383 1.00 27.35 C ATOM 463 O CYS A 45 15.067 13.573 -2.405 1.00 27.82 O ATOM 464 CB CYS A 45 13.985 15.227 -5.047 1.00 26.31 C ATOM 465 SG CYS A 45 12.813 16.586 -5.435 1.00 27.88 S ATOM 466 H CYS A 45 15.910 16.943 -5.116 1.00 0.00 H ATOM 467 N PHE A 46 16.561 13.750 -4.095 1.00 26.58 N ATOM 468 CA PHE A 46 17.269 12.522 -3.708 1.00 27.75 C ATOM 469 C PHE A 46 17.964 12.703 -2.358 1.00 26.73 C ATOM 470 O PHE A 46 17.915 11.809 -1.502 1.00 27.74 O ATOM 471 CB PHE A 46 18.272 12.133 -4.785 1.00 31.70 C ATOM 472 CG PHE A 46 17.642 11.485 -6.023 1.00 40.29 C ATOM 473 CD1 PHE A 46 16.521 10.710 -5.928 1.00 45.61 C ATOM 474 CD2 PHE A 46 18.101 11.776 -7.275 1.00 45.92 C ATOM 475 CE1 PHE A 46 15.932 10.122 -7.057 1.00 50.17 C ATOM 476 CE2 PHE A 46 17.491 11.204 -8.415 1.00 47.56 C ATOM 477 CZ PHE A 46 16.400 10.400 -8.282 1.00 47.86 C ATOM 478 H PHE A 46 16.872 14.280 -4.934 1.00 0.00 H ATOM 479 N MET A 47 18.609 13.845 -2.164 1.00 25.52 N ATOM 480 CA MET A 47 19.316 14.100 -0.910 1.00 28.46 C ATOM 481 C MET A 47 18.380 14.196 0.287 1.00 28.23 C ATOM 482 O MET A 47 18.775 13.874 1.419 1.00 30.73 O ATOM 483 CB MET A 47 20.143 15.379 -1.019 1.00 29.24 C ATOM 484 CG MET A 47 21.351 15.208 -1.913 1.00 30.10 C ATOM 485 SD MET A 47 22.386 16.686 -1.931 1.00 31.91 S ATOM 486 CE MET A 47 23.032 16.582 -0.307 1.00 39.08 C ATOM 487 H MET A 47 18.612 14.567 -2.912 1.00 0.00 H ATOM 488 N TYR A 48 17.164 14.666 0.039 1.00 26.26 N ATOM 489 CA TYR A 48 16.162 14.819 1.078 1.00 28.14 C ATOM 490 C TYR A 48 15.758 13.427 1.595 1.00 29.67 C ATOM 491 O TYR A 48 15.462 13.214 2.789 1.00 30.53 O ATOM 492 CB TYR A 48 14.973 15.588 0.492 1.00 27.10 C ATOM 493 CG TYR A 48 14.054 16.248 1.507 1.00 27.74 C ATOM 494 CD1 TYR A 48 13.067 15.527 2.149 1.00 27.70 C ATOM 495 CD2 TYR A 48 14.119 17.610 1.738 1.00 28.27 C ATOM 496 CE1 TYR A 48 12.230 16.129 3.047 1.00 29.39 C ATOM 497 CE2 TYR A 48 13.290 18.217 2.610 1.00 30.40 C ATOM 498 CZ TYR A 48 12.331 17.472 3.278 1.00 30.14 C ATOM 499 OH TYR A 48 11.489 18.089 4.163 1.00 32.07 O ATOM 500 HH TYR A 48 10.969 18.787 3.691 1.00 0.00 H ATOM 501 H TYR A 48 16.920 14.935 -0.936 1.00 0.00 H ATOM 502 N SER A 49 15.775 12.472 0.676 1.00 29.34 N ATOM 503 CA SER A 49 15.315 11.125 0.957 1.00 33.71 C ATOM 504 C SER A 49 16.423 10.207 1.412 1.00 33.30 C ATOM 505 O SER A 49 16.177 9.215 2.107 1.00 34.98 O ATOM 506 CB SER A 49 14.661 10.535 -0.296 1.00 41.62 C ATOM 507 OG SER A 49 14.376 9.156 -0.042 1.00 49.12 O ATOM 508 HG SER A 49 15.219 8.678 0.161 1.00 0.00 H ATOM 509 H SER A 49 16.129 12.695 -0.276 1.00 0.00 H ATOM 510 N ASP A 50 17.642 10.510 0.999 1.00 33.73 N ATOM 511 CA ASP A 50 18.814 9.712 1.352 1.00 37.82 C ATOM 512 C ASP A 50 18.924 9.401 2.825 1.00 38.74 C ATOM 513 O ASP A 50 18.863 10.304 3.638 1.00 38.57 O ATOM 514 CB ASP A 50 20.119 10.435 0.983 1.00 43.45 C ATOM 515 CG ASP A 50 20.547 10.208 -0.440 1.00 51.28 C ATOM 516 OD1 ASP A 50 20.039 9.263 -1.083 1.00 57.51 O ATOM 517 OD2 ASP A 50 21.423 10.981 -0.905 1.00 52.31 O ATOM 518 H ASP A 50 17.772 11.350 0.399 1.00 0.00 H ATOM 519 N PHE A 51 19.215 8.144 3.123 1.00 42.12 N ATOM 520 CA PHE A 51 19.564 7.660 4.465 1.00 46.93 C ATOM 521 C PHE A 51 18.418 7.667 5.458 1.00 45.52 C ATOM 522 O PHE A 51 18.652 7.393 6.639 1.00 49.33 O ATOM 523 CB PHE A 51 20.662 8.534 5.093 1.00 51.22 C ATOM 524 CG PHE A 51 21.837 8.798 4.193 1.00 55.06 C ATOM 525 CD1 PHE A 51 22.376 7.783 3.414 1.00 61.49 C ATOM 526 CD2 PHE A 51 22.377 10.080 4.103 1.00 53.91 C ATOM 527 CE1 PHE A 51 23.455 8.025 2.597 1.00 65.39 C ATOM 528 CE2 PHE A 51 23.460 10.334 3.279 1.00 56.98 C ATOM 529 CZ PHE A 51 23.996 9.310 2.521 1.00 62.97 C ATOM 530 H PHE A 51 19.195 7.448 2.350 1.00 0.00 H ATOM 531 N HIS A 52 17.179 7.815 5.006 1.00 39.78 N ATOM 532 CA HIS A 52 16.100 7.953 5.970 1.00 38.05 C ATOM 533 C HIS A 52 15.254 6.710 5.832 1.00 37.90 C ATOM 534 O HIS A 52 14.785 6.396 4.741 1.00 38.02 O ATOM 535 CB HIS A 52 15.279 9.216 5.741 1.00 36.87 C ATOM 536 CG HIS A 52 15.970 10.471 6.164 1.00 39.50 C ATOM 537 ND1 HIS A 52 15.985 10.902 7.469 1.00 43.60 N ATOM 538 CD2 HIS A 52 16.660 11.397 5.451 1.00 39.07 C ATOM 539 CE1 HIS A 52 16.683 12.025 7.549 1.00 45.20 C ATOM 540 NE2 HIS A 52 17.103 12.346 6.337 1.00 42.11 N ATOM 541 H HIS A 52 16.984 7.832 3.985 1.00 0.00 H ATOM 542 N PHE A 53 15.147 5.979 6.938 1.00 39.68 N ATOM 543 CA PHE A 53 14.417 4.725 6.967 1.00 42.37 C ATOM 544 C PHE A 53 13.430 4.722 8.073 1.00 48.76 C ATOM 545 O PHE A 53 13.466 5.574 8.958 1.00 52.85 O ATOM 546 CB PHE A 53 15.360 3.528 7.136 1.00 43.75 C ATOM 547 CG PHE A 53 16.340 3.404 6.037 1.00 46.75 C ATOM 548 CD1 PHE A 53 17.499 4.158 6.037 1.00 50.95 C ATOM 549 CD2 PHE A 53 16.080 2.586 4.958 1.00 48.32 C ATOM 550 CE1 PHE A 53 18.399 4.062 4.989 1.00 54.83 C ATOM 551 CE2 PHE A 53 16.973 2.491 3.914 1.00 51.41 C ATOM 552 CZ PHE A 53 18.131 3.232 3.927 1.00 54.82 C ATOM 553 H PHE A 53 15.601 6.317 7.810 1.00 0.00 H ATOM 554 N ILE A 54 12.534 3.751 8.010 1.00 52.47 N ATOM 555 CA ILE A 54 11.674 3.435 9.138 1.00 59.28 C ATOM 556 C ILE A 54 11.973 2.029 9.681 1.00 62.47 C ATOM 557 O ILE A 54 12.036 1.071 8.913 1.00 63.54 O ATOM 558 CB ILE A 54 10.219 3.537 8.761 1.00 60.68 C ATOM 559 CG1 ILE A 54 9.934 4.980 8.369 1.00 55.03 C ATOM 560 CG2 ILE A 54 9.346 3.088 9.955 1.00 66.09 C ATOM 561 CD1 ILE A 54 8.580 5.177 7.881 1.00 54.56 C ATOM 562 H ILE A 54 12.443 3.201 7.132 1.00 0.00 H ATOM 563 N ASP A 55 12.198 1.929 10.988 1.00 63.21 N ATOM 564 CA ASP A 55 12.725 0.702 11.574 1.00 62.90 C ATOM 565 C ASP A 55 11.678 -0.385 11.803 1.00 62.61 C ATOM 566 O ASP A 55 10.508 -0.233 11.453 1.00 62.31 O ATOM 567 CB ASP A 55 13.448 1.017 12.895 1.00 63.64 C ATOM 568 CG ASP A 55 12.548 1.677 13.925 1.00 62.60 C ATOM 569 OD1 ASP A 55 11.315 1.506 13.856 1.00 61.72 O ATOM 570 OD2 ASP A 55 13.085 2.367 14.815 1.00 63.20 O ATOM 571 H ASP A 55 11.994 2.742 11.604 1.00 0.00 H ATOM 572 N GLU A 56 12.131 -1.486 12.395 1.00 62.46 N ATOM 573 CA GLU A 56 11.274 -2.612 12.739 1.00 61.88 C ATOM 574 C GLU A 56 10.179 -2.187 13.707 1.00 61.79 C ATOM 575 O GLU A 56 9.066 -2.710 13.674 1.00 62.45 O ATOM 576 CB GLU A 56 12.111 -3.742 13.348 1.00 63.83 C ATOM 577 CG GLU A 56 13.218 -4.250 12.439 1.00 62.62 C ATOM 578 CD GLU A 56 14.597 -3.847 12.919 1.00 63.36 C ATOM 579 OE1 GLU A 56 15.162 -4.563 13.772 1.00 67.27 O ATOM 580 OE2 GLU A 56 15.114 -2.814 12.446 1.00 60.46 O ATOM 581 H GLU A 56 13.144 -1.546 12.623 1.00 0.00 H ATOM 582 N ARG A 57 10.510 -1.232 14.567 1.00 61.95 N ATOM 583 CA ARG A 57 9.581 -0.736 15.572 1.00 64.71 C ATOM 584 C ARG A 57 8.642 0.321 14.984 1.00 65.13 C ATOM 585 O ARG A 57 7.732 0.797 15.663 1.00 66.48 O ATOM 586 CB ARG A 57 10.361 -0.172 16.764 1.00 65.36 C ATOM 587 CG ARG A 57 11.412 -1.144 17.296 1.00 67.11 C ATOM 588 CD ARG A 57 12.120 -0.630 18.539 1.00 70.17 C ATOM 589 NE ARG A 57 12.988 -1.654 19.117 1.00 73.67 N ATOM 590 CZ ARG A 57 13.822 -1.452 20.132 1.00 77.13 C ATOM 591 NH1 ARG A 57 13.916 -0.256 20.698 1.00 77.65 N ATOM 592 NH2 ARG A 57 14.569 -2.451 20.584 1.00 80.68 N ATOM 593 HE ARG A 57 12.950 -2.608 18.705 1.00 0.00 H ATOM 594 HH12 ARG A 57 14.571 -0.106 21.492 1.00 0.00 H ATOM 595 HH11 ARG A 57 13.335 0.532 20.348 1.00 0.00 H ATOM 596 HH22 ARG A 57 15.222 -2.294 21.378 1.00 0.00 H ATOM 597 HH21 ARG A 57 14.502 -3.391 20.144 1.00 0.00 H ATOM 598 H ARG A 57 11.466 -0.824 14.521 1.00 0.00 H ATOM 599 N GLY A 58 8.874 0.685 13.724 1.00 65.32 N ATOM 600 CA GLY A 58 7.979 1.574 12.999 1.00 67.31 C ATOM 601 C GLY A 58 8.380 3.031 13.131 1.00 69.74 C ATOM 602 O GLY A 58 7.628 3.932 12.757 1.00 69.50 O ATOM 603 H GLY A 58 9.722 0.322 13.243 1.00 0.00 H ATOM 604 N GLU A 59 9.575 3.251 13.667 1.00 73.51 N ATOM 605 CA GLU A 59 10.111 4.599 13.907 1.00 76.51 C ATOM 606 C GLU A 59 11.196 5.009 12.908 1.00 66.88 C ATOM 607 O GLU A 59 11.817 4.147 12.269 1.00 62.22 O ATOM 608 CB GLU A 59 10.684 4.690 15.322 1.00 90.59 C ATOM 609 CG GLU A 59 10.748 6.119 15.878 1.00101.12 C ATOM 610 CD GLU A 59 10.729 6.178 17.405 1.00112.42 C ATOM 611 OE1 GLU A 59 10.106 5.296 18.037 1.00118.68 O ATOM 612 OE2 GLU A 59 11.336 7.114 17.974 1.00114.05 O ATOM 613 H GLU A 59 10.159 2.431 13.929 1.00 0.00 H ATOM 614 N SER A 60 11.424 6.323 12.812 1.00 65.50 N ATOM 615 CA SER A 60 12.321 6.908 11.804 1.00 63.48 C ATOM 616 C SER A 60 13.763 6.888 12.264 1.00 62.59 C ATOM 617 O SER A 60 14.059 7.333 13.365 1.00 65.77 O ATOM 618 CB SER A 60 11.904 8.343 11.487 1.00 69.68 C ATOM 619 OG SER A 60 12.886 8.986 10.701 1.00 78.09 O ATOM 620 HG SER A 60 13.744 9.003 11.195 1.00 0.00 H ATOM 621 H SER A 60 10.945 6.960 13.480 1.00 0.00 H ATOM 622 N ILE A 61 14.652 6.402 11.401 1.00 57.87 N ATOM 623 CA ILE A 61 16.072 6.303 11.711 1.00 57.52 C ATOM 624 C ILE A 61 16.916 6.676 10.505 1.00 52.39 C ATOM 625 O ILE A 61 16.475 6.588 9.354 1.00 47.48 O ATOM 626 CB ILE A 61 16.464 4.869 12.202 1.00 73.52 C ATOM 627 CG1 ILE A 61 17.953 4.783 12.573 1.00 85.09 C ATOM 628 CG2 ILE A 61 16.218 3.831 11.142 1.00 64.87 C ATOM 629 CD1 ILE A 61 18.433 5.757 13.682 1.00 98.57 C ATOM 630 H ILE A 61 14.320 6.080 10.469 1.00 0.00 H ATOM 631 N ILE A 62 18.139 7.113 10.785 1.00 53.49 N ATOM 632 CA ILE A 62 19.053 7.521 9.746 1.00 54.07 C ATOM 633 C ILE A 62 20.157 6.487 9.639 1.00 56.39 C ATOM 634 O ILE A 62 20.799 6.186 10.616 1.00 56.80 O ATOM 635 CB ILE A 62 19.627 8.917 10.043 1.00 60.25 C ATOM 636 CG1 ILE A 62 18.482 9.933 10.176 1.00 63.83 C ATOM 637 CG2 ILE A 62 20.600 9.337 8.934 1.00 60.03 C ATOM 638 CD1 ILE A 62 18.830 11.212 10.911 1.00 69.60 C ATOM 639 H ILE A 62 18.445 7.162 11.778 1.00 0.00 H ATOM 640 N VAL A 63 20.381 5.958 8.448 1.00 54.39 N ATOM 641 CA VAL A 63 21.431 4.971 8.215 1.00 62.02 C ATOM 642 C VAL A 63 22.308 5.399 7.036 1.00 69.35 C ATOM 643 O VAL A 63 21.915 5.232 5.877 1.00 62.84 O ATOM 644 CB VAL A 63 20.836 3.580 7.920 1.00 60.42 C ATOM 645 CG1 VAL A 63 21.949 2.555 7.670 1.00 62.52 C ATOM 646 CG2 VAL A 63 19.891 3.141 9.054 1.00 60.15 C ATOM 647 H VAL A 63 19.787 6.256 7.648 1.00 0.00 H ATOM 648 N GLU A 64 23.465 5.991 7.332 1.00 85.83 N ATOM 649 CA GLU A 64 24.357 6.516 6.286 1.00 98.44 C ATOM 650 C GLU A 64 25.332 5.491 5.691 1.00102.81 C ATOM 651 O GLU A 64 25.854 5.697 4.596 1.00105.57 O ATOM 652 CB GLU A 64 25.149 7.716 6.821 1.00105.72 C ATOM 653 CG GLU A 64 24.264 8.872 7.266 1.00106.92 C ATOM 654 CD GLU A 64 25.037 10.147 7.500 1.00107.26 C ATOM 655 OE1 GLU A 64 25.797 10.561 6.598 1.00107.56 O ATOM 656 OE2 GLU A 64 24.884 10.733 8.593 1.00106.84 O ATOM 657 H GLU A 64 23.745 6.084 8.329 1.00 0.00 H ATOM 658 N SER A 65 25.581 4.394 6.397 1.00101.96 N ATOM 659 CA SER A 65 26.351 3.299 5.820 1.00 97.94 C ATOM 660 C SER A 65 25.534 2.668 4.702 1.00 90.53 C ATOM 661 O SER A 65 24.317 2.575 4.807 1.00 92.93 O ATOM 662 CB SER A 65 26.709 2.266 6.885 1.00101.35 C ATOM 663 OG SER A 65 25.598 1.438 7.188 1.00102.73 O ATOM 664 HG SER A 65 25.309 0.962 6.369 1.00 0.00 H ATOM 665 H SER A 65 25.223 4.315 7.370 1.00 0.00 H ATOM 666 N GLY A 66 26.188 2.220 3.638 1.00 78.23 N ATOM 667 CA GLY A 66 25.457 1.748 2.476 1.00 69.23 C ATOM 668 C GLY A 66 24.960 0.321 2.621 1.00 64.64 C ATOM 669 O GLY A 66 24.795 -0.388 1.628 1.00 64.95 O ATOM 670 H GLY A 66 27.228 2.207 3.636 1.00 0.00 H ATOM 671 N ASP A 67 24.723 -0.096 3.863 1.00 60.06 N ATOM 672 CA ASP A 67 24.265 -1.448 4.157 1.00 56.67 C ATOM 673 C ASP A 67 23.143 -1.439 5.198 1.00 53.31 C ATOM 674 O ASP A 67 23.330 -1.901 6.324 1.00 54.70 O ATOM 675 CB ASP A 67 25.436 -2.308 4.639 1.00 58.04 C ATOM 676 CG ASP A 67 26.357 -1.564 5.590 1.00 56.97 C ATOM 677 OD1 ASP A 67 25.857 -0.789 6.431 1.00 54.97 O ATOM 678 OD2 ASP A 67 27.587 -1.756 5.494 1.00 58.60 O ATOM 679 H ASP A 67 24.870 0.566 4.651 1.00 0.00 H ATOM 680 N PRO A 68 21.967 -0.914 4.824 1.00 49.25 N ATOM 681 CA PRO A 68 20.831 -0.894 5.750 1.00 48.80 C ATOM 682 C PRO A 68 20.248 -2.290 5.915 1.00 52.24 C ATOM 683 O PRO A 68 19.976 -2.935 4.902 1.00 52.13 O ATOM 684 CB PRO A 68 19.842 0.053 5.071 1.00 45.02 C ATOM 685 CG PRO A 68 20.125 -0.101 3.618 1.00 44.16 C ATOM 686 CD PRO A 68 21.608 -0.370 3.501 1.00 46.14 C ATOM 687 N ASN A 69 20.072 -2.759 7.149 1.00 56.12 N ATOM 688 CA ASN A 69 19.517 -4.092 7.355 1.00 61.15 C ATOM 689 C ASN A 69 18.163 -4.231 6.676 1.00 65.80 C ATOM 690 O ASN A 69 17.406 -3.268 6.548 1.00 62.23 O ATOM 691 CB ASN A 69 19.394 -4.426 8.844 1.00 60.72 C ATOM 692 CG ASN A 69 18.814 -3.293 9.653 1.00 56.94 C ATOM 693 OD1 ASN A 69 19.105 -2.128 9.399 1.00 53.95 O ATOM 694 ND2 ASN A 69 17.982 -3.628 10.632 1.00 57.61 N ATOM 695 HD22 ASN A 69 17.765 -4.629 10.810 1.00 0.00 H ATOM 696 HD21 ASN A 69 17.547 -2.889 11.221 1.00 0.00 H ATOM 697 H ASN A 69 20.331 -2.173 7.968 1.00 0.00 H ATOM 698 N ALA A 70 17.878 -5.452 6.248 1.00 76.28 N ATOM 699 CA ALA A 70 16.781 -5.728 5.325 1.00 76.70 C ATOM 700 C ALA A 70 15.371 -5.402 5.848 1.00 69.03 C ATOM 701 O ALA A 70 14.444 -5.208 5.056 1.00 70.41 O ATOM 702 CB ALA A 70 16.850 -7.170 4.904 1.00 83.11 C ATOM 703 H ALA A 70 18.460 -6.246 6.583 1.00 0.00 H ATOM 704 N LEU A 71 15.191 -5.347 7.164 1.00 58.56 N ATOM 705 CA LEU A 71 13.851 -5.101 7.702 1.00 53.32 C ATOM 706 C LEU A 71 13.459 -3.623 7.695 1.00 52.61 C ATOM 707 O LEU A 71 12.296 -3.283 7.940 1.00 50.43 O ATOM 708 CB LEU A 71 13.734 -5.652 9.106 1.00 54.16 C ATOM 709 CG LEU A 71 13.863 -7.161 9.177 1.00 57.77 C ATOM 710 CD1 LEU A 71 13.827 -7.586 10.625 1.00 60.45 C ATOM 711 CD2 LEU A 71 12.745 -7.823 8.421 1.00 58.48 C ATOM 712 H LEU A 71 15.997 -5.478 7.808 1.00 0.00 H ATOM 713 N LEU A 72 14.422 -2.756 7.413 1.00 56.96 N ATOM 714 CA LEU A 72 14.151 -1.334 7.357 1.00 58.37 C ATOM 715 C LEU A 72 13.437 -0.978 6.055 1.00 57.79 C ATOM 716 O LEU A 72 13.717 -1.542 4.991 1.00 61.03 O ATOM 717 CB LEU A 72 15.454 -0.535 7.479 1.00 59.05 C ATOM 718 CG LEU A 72 16.305 -0.681 8.742 1.00 62.81 C ATOM 719 CD1 LEU A 72 17.558 0.156 8.658 1.00 61.98 C ATOM 720 CD2 LEU A 72 15.526 -0.269 9.954 1.00 64.72 C ATOM 721 H LEU A 72 15.385 -3.102 7.229 1.00 0.00 H ATOM 722 N LYS A 73 12.518 -0.027 6.144 1.00 52.59 N ATOM 723 CA LYS A 73 11.830 0.489 4.964 1.00 51.23 C ATOM 724 C LYS A 73 12.214 1.955 4.681 1.00 46.52 C ATOM 725 O LYS A 73 12.356 2.751 5.599 1.00 46.47 O ATOM 726 CB LYS A 73 10.324 0.372 5.141 1.00 61.33 C ATOM 727 CG LYS A 73 9.562 0.628 3.843 1.00 71.46 C ATOM 728 CD LYS A 73 8.020 0.496 3.972 1.00 87.05 C ATOM 729 CE LYS A 73 7.334 1.732 4.580 1.00 86.22 C ATOM 730 NZ LYS A 73 5.872 1.784 4.242 1.00 84.66 N ATOM 731 HZ1 LYS A 73 5.757 1.822 3.209 1.00 0.00 H ATOM 732 HZ2 LYS A 73 5.401 0.934 4.613 1.00 0.00 H ATOM 733 HZ3 LYS A 73 5.448 2.631 4.671 1.00 0.00 H ATOM 734 H LYS A 73 12.281 0.362 7.079 1.00 0.00 H ATOM 735 N HIS A 74 12.384 2.303 3.418 1.00 47.76 N ATOM 736 CA HIS A 74 12.644 3.696 3.056 1.00 49.66 C ATOM 737 C HIS A 74 11.554 4.601 3.582 1.00 45.15 C ATOM 738 O HIS A 74 10.371 4.316 3.451 1.00 46.52 O ATOM 739 CB HIS A 74 12.780 3.866 1.548 1.00 56.43 C ATOM 740 CG HIS A 74 14.101 3.417 1.012 1.00 65.73 C ATOM 741 ND1 HIS A 74 15.135 4.297 0.770 1.00 67.59 N ATOM 742 CD2 HIS A 74 14.568 2.187 0.696 1.00 74.19 C ATOM 743 CE1 HIS A 74 16.178 3.628 0.312 1.00 72.75 C ATOM 744 NE2 HIS A 74 15.861 2.346 0.258 1.00 76.79 N ATOM 745 H HIS A 74 12.332 1.579 2.673 1.00 0.00 H ATOM 746 N ARG A 75 11.969 5.704 4.182 1.00 39.08 N ATOM 747 CA ARG A 75 11.023 6.637 4.768 1.00 36.42 C ATOM 748 C ARG A 75 10.228 7.369 3.691 1.00 33.30 C ATOM 749 O ARG A 75 9.043 7.649 3.872 1.00 32.64 O ATOM 750 CB ARG A 75 11.740 7.658 5.642 1.00 37.24 C ATOM 751 CG ARG A 75 10.786 8.695 6.132 1.00 37.36 C ATOM 752 CD ARG A 75 11.391 9.569 7.173 1.00 37.44 C ATOM 753 NE ARG A 75 10.552 10.736 7.389 1.00 36.59 N ATOM 754 CZ ARG A 75 10.805 11.693 8.262 1.00 37.24 C ATOM 755 NH1 ARG A 75 11.872 11.612 9.048 1.00 38.90 N ATOM 756 NH2 ARG A 75 9.972 12.717 8.367 1.00 36.73 N ATOM 757 HE ARG A 75 9.690 10.823 6.814 1.00 0.00 H ATOM 758 HH12 ARG A 75 12.070 12.367 9.735 1.00 0.00 H ATOM 759 HH11 ARG A 75 12.510 10.794 8.976 1.00 0.00 H ATOM 760 HH22 ARG A 75 10.164 13.475 9.052 1.00 0.00 H ATOM 761 HH21 ARG A 75 9.126 12.763 7.764 1.00 0.00 H ATOM 762 H ARG A 75 12.988 5.906 4.235 1.00 0.00 H ATOM 763 N PHE A 76 10.878 7.668 2.573 1.00 32.12 N ATOM 764 CA PHE A 76 10.259 8.469 1.540 1.00 30.66 C ATOM 765 C PHE A 76 10.031 7.683 0.268 1.00 32.94 C ATOM 766 O PHE A 76 10.858 6.874 -0.137 1.00 36.66 O ATOM 767 CB PHE A 76 11.115 9.690 1.214 1.00 29.34 C ATOM 768 CG PHE A 76 11.277 10.668 2.353 1.00 30.22 C ATOM 769 CD1 PHE A 76 10.323 11.621 2.606 1.00 30.94 C ATOM 770 CD2 PHE A 76 12.398 10.637 3.160 1.00 32.12 C ATOM 771 CE1 PHE A 76 10.469 12.525 3.627 1.00 32.62 C ATOM 772 CE2 PHE A 76 12.556 11.534 4.206 1.00 33.06 C ATOM 773 CZ PHE A 76 11.596 12.479 4.446 1.00 33.56 C ATOM 774 H PHE A 76 11.849 7.320 2.438 1.00 0.00 H ATOM 775 N GLU A 77 8.911 7.958 -0.376 1.00 30.60 N ATOM 776 CA GLU A 77 8.713 7.575 -1.783 1.00 33.56 C ATOM 777 C GLU A 77 9.166 8.776 -2.623 1.00 30.13 C ATOM 778 O GLU A 77 8.881 9.936 -2.277 1.00 28.34 O ATOM 779 CB GLU A 77 7.245 7.220 -2.040 1.00 43.18 C ATOM 780 CG GLU A 77 7.006 6.342 -3.242 1.00 53.65 C ATOM 781 CD GLU A 77 7.195 4.875 -2.923 1.00 56.93 C ATOM 782 OE1 GLU A 77 6.534 4.365 -1.972 1.00 55.94 O ATOM 783 OE2 GLU A 77 7.996 4.235 -3.635 1.00 57.99 O ATOM 784 H GLU A 77 8.149 8.458 0.125 1.00 0.00 H ATOM 785 N ILE A 78 9.905 8.522 -3.701 1.00 30.70 N ATOM 786 CA ILE A 78 10.339 9.589 -4.590 1.00 31.18 C ATOM 787 C ILE A 78 9.449 9.567 -5.808 1.00 30.18 C ATOM 788 O ILE A 78 9.317 8.527 -6.477 1.00 31.42 O ATOM 789 CB ILE A 78 11.797 9.428 -4.963 1.00 35.00 C ATOM 790 CG1 ILE A 78 12.655 9.522 -3.704 1.00 39.30 C ATOM 791 CG2 ILE A 78 12.226 10.508 -5.927 1.00 34.92 C ATOM 792 CD1 ILE A 78 14.096 9.079 -3.911 1.00 42.84 C ATOM 793 H ILE A 78 10.178 7.541 -3.912 1.00 0.00 H ATOM 794 N ILE A 79 8.798 10.707 -6.055 1.00 27.66 N ATOM 795 CA ILE A 79 7.854 10.842 -7.151 1.00 27.74 C ATOM 796 C ILE A 79 8.505 11.563 -8.329 1.00 28.14 C ATOM 797 O ILE A 79 8.304 11.187 -9.494 1.00 28.56 O ATOM 798 CB ILE A 79 6.598 11.578 -6.690 1.00 29.57 C ATOM 799 CG1 ILE A 79 5.923 10.757 -5.567 1.00 40.18 C ATOM 800 CG2 ILE A 79 5.604 11.749 -7.844 1.00 30.50 C ATOM 801 CD1 ILE A 79 4.979 11.531 -4.754 1.00 47.96 C ATOM 802 H ILE A 79 8.973 11.528 -5.441 1.00 0.00 H ATOM 803 N GLU A 80 9.283 12.591 -8.021 1.00 27.97 N ATOM 804 CA GLU A 80 10.035 13.337 -9.023 1.00 27.72 C ATOM 805 C GLU A 80 11.023 12.403 -9.692 1.00 28.56 C ATOM 806 O GLU A 80 11.542 11.457 -9.085 1.00 29.51 O ATOM 807 CB GLU A 80 10.752 14.518 -8.349 1.00 28.07 C ATOM 808 CG GLU A 80 11.513 15.445 -9.248 1.00 28.67 C ATOM 809 CD GLU A 80 10.625 16.097 -10.261 1.00 29.93 C ATOM 810 OE1 GLU A 80 9.956 17.099 -9.921 1.00 29.13 O ATOM 811 OE2 GLU A 80 10.605 15.602 -11.417 1.00 30.92 O ATOM 812 H GLU A 80 9.360 12.877 -7.024 1.00 0.00 H ATOM 813 N GLY A 81 11.269 12.642 -10.969 1.00 28.87 N ATOM 814 CA GLY A 81 12.236 11.842 -11.686 1.00 29.32 C ATOM 815 C GLY A 81 11.646 10.692 -12.476 1.00 31.54 C ATOM 816 O GLY A 81 12.340 10.066 -13.268 1.00 33.49 O ATOM 817 H GLY A 81 10.765 13.408 -11.459 1.00 0.00 H ATOM 818 N ARG A 82 10.393 10.386 -12.202 1.00 32.45 N ATOM 819 CA ARG A 82 9.639 9.344 -12.892 1.00 34.17 C ATOM 820 C ARG A 82 8.899 9.931 -14.055 1.00 34.66 C ATOM 821 O ARG A 82 8.477 11.097 -13.993 1.00 33.98 O ATOM 822 CB ARG A 82 8.646 8.693 -11.941 1.00 34.92 C ATOM 823 CG ARG A 82 9.280 8.068 -10.741 1.00 34.57 C ATOM 824 CD ARG A 82 8.255 7.397 -9.858 1.00 33.81 C ATOM 825 NE ARG A 82 8.864 6.955 -8.614 1.00 34.25 N ATOM 826 CZ ARG A 82 9.443 5.776 -8.428 1.00 37.74 C ATOM 827 NH1 ARG A 82 9.518 4.887 -9.405 1.00 40.27 N ATOM 828 NH2 ARG A 82 9.987 5.491 -7.268 1.00 39.22 N ATOM 829 HE ARG A 82 8.844 7.613 -7.809 1.00 0.00 H ATOM 830 HH12 ARG A 82 9.976 3.968 -9.238 1.00 0.00 H ATOM 831 HH11 ARG A 82 9.119 5.107 -10.340 1.00 0.00 H ATOM 832 HH22 ARG A 82 10.442 4.567 -7.120 1.00 0.00 H ATOM 833 HH21 ARG A 82 9.964 6.189 -6.497 1.00 0.00 H ATOM 834 H ARG A 82 9.913 10.919 -11.449 1.00 0.00 H ATOM 835 N ASP A 83 8.688 9.160 -15.126 1.00 35.51 N ATOM 836 CA ASP A 83 7.871 9.710 -16.185 1.00 37.45 C ATOM 837 C ASP A 83 6.441 9.817 -15.674 1.00 35.90 C ATOM 838 O ASP A 83 6.064 9.222 -14.669 1.00 35.40 O ATOM 839 CB ASP A 83 7.947 8.883 -17.485 1.00 45.58 C ATOM 840 CG ASP A 83 7.339 7.497 -17.362 1.00 57.14 C ATOM 841 OD1 ASP A 83 6.211 7.362 -16.858 1.00 53.62 O ATOM 842 OD2 ASP A 83 8.007 6.524 -17.776 1.00 70.82 O ATOM 843 H ASP A 83 9.094 8.205 -15.195 1.00 0.00 H ATOM 844 N ARG A 84 5.652 10.566 -16.424 1.00 36.00 N ATOM 845 CA ARG A 84 4.339 10.993 -16.020 1.00 37.93 C ATOM 846 C ARG A 84 3.421 9.798 -15.655 1.00 34.72 C ATOM 847 O ARG A 84 2.732 9.818 -14.650 1.00 35.25 O ATOM 848 CB ARG A 84 3.786 11.836 -17.162 1.00 46.08 C ATOM 849 CG ARG A 84 2.725 12.826 -16.807 1.00 55.81 C ATOM 850 CD ARG A 84 2.150 13.501 -18.062 1.00 60.00 C ATOM 851 NE ARG A 84 2.895 14.596 -18.700 1.00 57.11 N ATOM 852 CZ ARG A 84 3.574 14.525 -19.840 1.00 59.20 C ATOM 853 NH1 ARG A 84 3.761 13.372 -20.480 1.00 64.05 N ATOM 854 NH2 ARG A 84 4.117 15.623 -20.329 1.00 58.08 N ATOM 855 HE ARG A 84 2.890 15.515 -18.212 1.00 0.00 H ATOM 856 HH12 ARG A 84 4.298 13.353 -21.371 1.00 0.00 H ATOM 857 HH11 ARG A 84 3.370 12.491 -20.089 1.00 0.00 H ATOM 858 HH22 ARG A 84 4.652 15.586 -21.220 1.00 0.00 H ATOM 859 HH21 ARG A 84 4.010 16.526 -19.823 1.00 0.00 H ATOM 860 H ARG A 84 5.999 10.863 -17.358 1.00 0.00 H ATOM 861 N ILE A 85 3.418 8.758 -16.472 1.00 33.82 N ATOM 862 CA ILE A 85 2.597 7.582 -16.195 1.00 34.32 C ATOM 863 C ILE A 85 3.000 6.908 -14.883 1.00 36.01 C ATOM 864 O ILE A 85 2.161 6.505 -14.079 1.00 36.63 O ATOM 865 CB ILE A 85 2.693 6.587 -17.347 1.00 34.50 C ATOM 866 CG1 ILE A 85 1.914 7.131 -18.537 1.00 35.47 C ATOM 867 CG2 ILE A 85 2.112 5.224 -16.957 1.00 36.81 C ATOM 868 CD1 ILE A 85 2.100 6.384 -19.756 1.00 38.68 C ATOM 869 H ILE A 85 4.010 8.778 -17.327 1.00 0.00 H ATOM 870 N MET A 86 4.300 6.731 -14.691 1.00 37.07 N ATOM 871 CA MET A 86 4.780 6.009 -13.518 1.00 37.64 C ATOM 872 C MET A 86 4.612 6.862 -12.263 1.00 35.76 C ATOM 873 O MET A 86 4.345 6.346 -11.193 1.00 37.06 O ATOM 874 CB MET A 86 6.240 5.600 -13.720 1.00 39.29 C ATOM 875 CG MET A 86 6.448 4.559 -14.814 1.00 44.23 C ATOM 876 SD MET A 86 5.379 3.109 -14.651 1.00 60.04 S ATOM 877 CE MET A 86 5.717 2.585 -12.979 1.00 57.06 C ATOM 878 H MET A 86 4.981 7.109 -15.380 1.00 0.00 H ATOM 879 N ALA A 87 4.794 8.161 -12.398 1.00 33.63 N ATOM 880 CA ALA A 87 4.634 9.074 -11.278 1.00 33.03 C ATOM 881 C ALA A 87 3.200 9.016 -10.770 1.00 33.94 C ATOM 882 O ALA A 87 2.972 8.888 -9.574 1.00 34.69 O ATOM 883 CB ALA A 87 5.019 10.508 -11.690 1.00 32.00 C ATOM 884 H ALA A 87 5.059 8.542 -13.329 1.00 0.00 H ATOM 885 N TRP A 88 2.217 9.060 -11.677 1.00 32.59 N ATOM 886 CA TRP A 88 0.817 9.031 -11.236 1.00 33.26 C ATOM 887 C TRP A 88 0.465 7.661 -10.699 1.00 35.83 C ATOM 888 O TRP A 88 -0.327 7.545 -9.743 1.00 37.84 O ATOM 889 CB TRP A 88 -0.142 9.457 -12.369 1.00 34.31 C ATOM 890 CG TRP A 88 -0.157 10.931 -12.469 1.00 35.24 C ATOM 891 CD1 TRP A 88 0.380 11.714 -13.461 1.00 35.86 C ATOM 892 CD2 TRP A 88 -0.697 11.833 -11.500 1.00 36.74 C ATOM 893 NE1 TRP A 88 0.201 13.036 -13.163 1.00 35.52 N ATOM 894 CE2 TRP A 88 -0.439 13.144 -11.959 1.00 35.98 C ATOM 895 CE3 TRP A 88 -1.351 11.665 -10.274 1.00 38.61 C ATOM 896 CZ2 TRP A 88 -0.837 14.280 -11.240 1.00 35.96 C ATOM 897 CZ3 TRP A 88 -1.721 12.788 -9.564 1.00 38.60 C ATOM 898 CH2 TRP A 88 -1.470 14.075 -10.054 1.00 37.09 C ATOM 899 HE1 TRP A 88 0.504 13.834 -13.758 1.00 0.00 H ATOM 900 H TRP A 88 2.444 9.115 -12.690 1.00 0.00 H ATOM 901 N THR A 89 1.093 6.629 -11.259 1.00 36.03 N ATOM 902 CA THR A 89 0.875 5.271 -10.782 1.00 36.84 C ATOM 903 C THR A 89 1.322 5.188 -9.311 1.00 36.18 C ATOM 904 O THR A 89 0.611 4.662 -8.466 1.00 38.77 O ATOM 905 CB THR A 89 1.647 4.255 -11.629 1.00 38.52 C ATOM 906 OG1 THR A 89 1.187 4.333 -12.983 1.00 37.11 O ATOM 907 CG2 THR A 89 1.421 2.858 -11.129 1.00 44.54 C ATOM 908 HG1 THR A 89 1.343 5.247 -13.331 1.00 0.00 H ATOM 909 H THR A 89 1.749 6.796 -12.049 1.00 0.00 H ATOM 910 N VAL A 90 2.466 5.769 -9.018 1.00 33.70 N ATOM 911 CA VAL A 90 2.985 5.741 -7.636 1.00 36.13 C ATOM 912 C VAL A 90 2.098 6.581 -6.691 1.00 36.58 C ATOM 913 O VAL A 90 1.713 6.143 -5.601 1.00 38.60 O ATOM 914 CB VAL A 90 4.435 6.219 -7.605 1.00 36.18 C ATOM 915 CG1 VAL A 90 4.931 6.350 -6.147 1.00 37.74 C ATOM 916 CG2 VAL A 90 5.287 5.214 -8.360 1.00 36.93 C ATOM 917 H VAL A 90 3.007 6.251 -9.764 1.00 0.00 H ATOM 918 N VAL A 91 1.733 7.774 -7.127 1.00 34.83 N ATOM 919 CA VAL A 91 0.824 8.607 -6.363 1.00 35.44 C ATOM 920 C VAL A 91 -0.525 7.924 -6.090 1.00 38.76 C ATOM 921 O VAL A 91 -1.015 7.933 -4.961 1.00 39.72 O ATOM 922 CB VAL A 91 0.598 9.937 -7.084 1.00 34.44 C ATOM 923 CG1 VAL A 91 -0.526 10.717 -6.447 1.00 37.08 C ATOM 924 CG2 VAL A 91 1.874 10.765 -7.035 1.00 31.57 C ATOM 925 H VAL A 91 2.104 8.122 -8.034 1.00 0.00 H ATOM 926 N ASN A 92 -1.150 7.350 -7.114 1.00 40.47 N ATOM 927 CA ASN A 92 -2.428 6.672 -6.903 1.00 43.51 C ATOM 928 C ASN A 92 -2.329 5.522 -5.920 1.00 45.77 C ATOM 929 O ASN A 92 -3.247 5.269 -5.152 1.00 49.03 O ATOM 930 CB ASN A 92 -2.993 6.130 -8.237 1.00 48.44 C ATOM 931 CG ASN A 92 -3.460 7.232 -9.167 1.00 54.84 C ATOM 932 OD1 ASN A 92 -3.723 8.352 -8.736 1.00 58.23 O ATOM 933 ND2 ASN A 92 -3.562 6.920 -10.454 1.00 57.36 N ATOM 934 HD22 ASN A 92 -3.329 5.959 -10.776 1.00 0.00 H ATOM 935 HD21 ASN A 92 -3.875 7.637 -11.140 1.00 0.00 H ATOM 936 H ASN A 92 -0.730 7.383 -8.065 1.00 0.00 H ATOM 937 N SER A 93 -1.239 4.782 -6.015 1.00 46.46 N ATOM 938 CA SER A 93 -0.976 3.689 -5.116 1.00 50.49 C ATOM 939 C SER A 93 -0.959 4.198 -3.660 1.00 49.46 C ATOM 940 O SER A 93 -1.660 3.687 -2.783 1.00 51.38 O ATOM 941 CB SER A 93 0.360 3.048 -5.497 1.00 52.71 C ATOM 942 OG SER A 93 0.668 1.944 -4.666 1.00 56.68 O ATOM 943 HG SER A 93 1.536 1.557 -4.942 1.00 0.00 H ATOM 944 H SER A 93 -0.549 4.996 -6.763 1.00 0.00 H ATOM 945 N ILE A 94 -0.153 5.221 -3.418 1.00 45.20 N ATOM 946 CA ILE A 94 -0.026 5.785 -2.074 1.00 44.31 C ATOM 947 C ILE A 94 -1.379 6.233 -1.553 1.00 47.81 C ATOM 948 O ILE A 94 -1.733 5.949 -0.408 1.00 50.69 O ATOM 949 CB ILE A 94 0.950 6.970 -2.045 1.00 40.28 C ATOM 950 CG1 ILE A 94 2.354 6.482 -2.371 1.00 39.71 C ATOM 951 CG2 ILE A 94 0.943 7.636 -0.652 1.00 39.93 C ATOM 952 CD1 ILE A 94 3.324 7.580 -2.722 1.00 41.46 C ATOM 953 H ILE A 94 0.400 5.631 -4.198 1.00 0.00 H ATOM 954 N CYS A 95 -2.114 6.932 -2.408 1.00 48.74 N ATOM 955 CA CYS A 95 -3.358 7.596 -2.042 1.00 54.64 C ATOM 956 C CYS A 95 -4.481 6.614 -1.724 1.00 65.48 C ATOM 957 O CYS A 95 -5.371 6.882 -0.883 1.00 63.93 O ATOM 958 CB CYS A 95 -3.805 8.481 -3.193 1.00 51.13 C ATOM 959 SG CYS A 95 -3.136 10.136 -3.218 1.00 52.79 S ATOM 960 H CYS A 95 -1.785 7.010 -3.391 1.00 0.00 H ATOM 961 N ASN A 96 -4.454 5.476 -2.407 1.00 74.07 N ATOM 962 CA ASN A 96 -5.491 4.475 -2.202 1.00 82.62 C ATOM 963 C ASN A 96 -5.129 3.642 -0.994 1.00 86.22 C ATOM 964 O ASN A 96 -5.995 3.168 -0.273 1.00 91.70 O ATOM 965 CB ASN A 96 -5.651 3.586 -3.440 1.00 85.88 C ATOM 966 CG ASN A 96 -6.204 4.342 -4.638 1.00 87.00 C ATOM 967 OD1 ASN A 96 -7.075 5.203 -4.492 1.00 88.91 O ATOM 968 ND2 ASN A 96 -5.707 4.016 -5.832 1.00 85.90 N ATOM 969 HD22 ASN A 96 -4.973 3.283 -5.907 1.00 0.00 H ATOM 970 HD21 ASN A 96 -6.054 4.495 -6.688 1.00 0.00 H ATOM 971 H ASN A 96 -3.690 5.299 -3.090 1.00 0.00 H ATOM 972 N THR A 97 -3.832 3.519 -0.755 1.00 82.86 N ATOM 973 CA THR A 97 -3.320 2.753 0.366 1.00 81.99 C ATOM 974 C THR A 97 -3.440 3.501 1.695 1.00 82.54 C ATOM 975 O THR A 97 -4.051 3.009 2.651 1.00 86.91 O ATOM 976 CB THR A 97 -1.835 2.408 0.131 1.00 77.00 C ATOM 977 OG1 THR A 97 -1.727 1.555 -1.007 1.00 76.64 O ATOM 978 CG2 THR A 97 -1.210 1.715 1.331 1.00 76.39 C ATOM 979 HG1 THR A 97 -2.091 2.020 -1.802 1.00 0.00 H ATOM 980 H THR A 97 -3.157 3.988 -1.393 1.00 0.00 H ATOM 981 N THR A 98 -2.885 4.707 1.737 1.00 75.85 N ATOM 982 CA THR A 98 -2.756 5.452 2.985 1.00 67.48 C ATOM 983 C THR A 98 -4.039 6.181 3.316 1.00 65.67 C ATOM 984 O THR A 98 -4.244 6.596 4.450 1.00 71.08 O ATOM 985 CB THR A 98 -1.631 6.506 2.916 1.00 60.12 C ATOM 986 OG1 THR A 98 -2.010 7.532 1.996 1.00 61.15 O ATOM 987 CG2 THR A 98 -0.302 5.878 2.502 1.00 53.08 C ATOM 988 HG1 THR A 98 -2.151 7.135 1.100 1.00 0.00 H ATOM 989 H THR A 98 -2.533 5.132 0.856 1.00 0.00 H ATOM 990 N GLY A 99 -4.897 6.349 2.321 1.00 59.80 N ATOM 991 CA GLY A 99 -6.112 7.116 2.509 1.00 62.61 C ATOM 992 C GLY A 99 -5.910 8.601 2.279 1.00 65.18 C ATOM 993 O GLY A 99 -6.887 9.357 2.197 1.00 68.84 O ATOM 994 H GLY A 99 -4.696 5.925 1.393 1.00 0.00 H ATOM 995 N VAL A 100 -4.645 9.021 2.174 1.00 63.41 N ATOM 996 CA VAL A 100 -4.304 10.416 1.872 1.00 60.84 C ATOM 997 C VAL A 100 -4.936 10.895 0.572 1.00 59.31 C ATOM 998 O VAL A 100 -4.895 10.190 -0.439 1.00 59.82 O ATOM 999 CB VAL A 100 -2.765 10.623 1.790 1.00 82.30 C ATOM 1000 CG1 VAL A 100 -2.415 12.041 1.360 1.00 80.71 C ATOM 1001 CG2 VAL A 100 -2.116 10.332 3.129 1.00 82.96 C ATOM 1002 H VAL A 100 -3.876 8.335 2.311 1.00 0.00 H ATOM 1003 N GLU A 101 -5.519 12.089 0.600 1.00 59.00 N ATOM 1004 CA GLU A 101 -6.182 12.655 -0.577 1.00 64.84 C ATOM 1005 C GLU A 101 -5.232 12.763 -1.788 1.00 61.21 C ATOM 1006 O GLU A 101 -4.004 12.786 -1.627 1.00 60.08 O ATOM 1007 CB GLU A 101 -6.747 14.039 -0.227 1.00 75.00 C ATOM 1008 CG GLU A 101 -7.721 14.656 -1.239 1.00 84.17 C ATOM 1009 CD GLU A 101 -8.590 13.641 -1.964 1.00 90.94 C ATOM 1010 OE1 GLU A 101 -9.200 12.784 -1.292 1.00 97.31 O ATOM 1011 OE2 GLU A 101 -8.660 13.696 -3.213 1.00 89.22 O ATOM 1012 H GLU A 101 -5.504 12.637 1.483 1.00 0.00 H ATOM 1013 N LYS A 102 -5.808 12.860 -2.988 1.00 60.87 N ATOM 1014 CA LYS A 102 -5.032 12.874 -4.225 1.00 57.34 C ATOM 1015 C LYS A 102 -4.642 14.269 -4.607 1.00 57.29 C ATOM 1016 O LYS A 102 -5.502 15.130 -4.741 1.00 63.05 O ATOM 1017 CB LYS A 102 -5.819 12.238 -5.371 1.00 57.15 C ATOM 1018 CG LYS A 102 -4.955 11.547 -6.423 1.00 58.19 C ATOM 1019 CD LYS A 102 -5.750 10.585 -7.283 1.00 66.41 C ATOM 1020 CE LYS A 102 -6.202 11.234 -8.589 1.00 73.76 C ATOM 1021 NZ LYS A 102 -5.305 10.953 -9.761 1.00 75.66 N ATOM 1022 HZ1 LYS A 102 -4.349 11.309 -9.558 1.00 0.00 H ATOM 1023 HZ2 LYS A 102 -5.266 9.927 -9.928 1.00 0.00 H ATOM 1024 HZ3 LYS A 102 -5.681 11.429 -10.606 1.00 0.00 H ATOM 1025 H LYS A 102 -6.844 12.928 -3.044 1.00 0.00 H ATOM 1026 N PRO A 103 -3.342 14.503 -4.810 1.00 50.83 N ATOM 1027 CA PRO A 103 -2.977 15.856 -5.225 1.00 48.08 C ATOM 1028 C PRO A 103 -3.383 16.136 -6.645 1.00 47.42 C ATOM 1029 O PRO A 103 -3.535 15.209 -7.444 1.00 47.81 O ATOM 1030 CB PRO A 103 -1.448 15.866 -5.077 1.00 46.24 C ATOM 1031 CG PRO A 103 -1.068 14.476 -5.353 1.00 45.87 C ATOM 1032 CD PRO A 103 -2.151 13.656 -4.643 1.00 48.09 C ATOM 1033 N LYS A 104 -3.481 17.415 -6.978 1.00 47.85 N ATOM 1034 CA LYS A 104 -3.886 17.816 -8.309 1.00 53.14 C ATOM 1035 C LYS A 104 -2.686 17.920 -9.241 1.00 47.81 C ATOM 1036 O LYS A 104 -2.825 17.720 -10.442 1.00 46.95 O ATOM 1037 CB LYS A 104 -4.613 19.154 -8.232 1.00 65.34 C ATOM 1038 CG LYS A 104 -5.620 19.199 -7.065 1.00 77.23 C ATOM 1039 CD LYS A 104 -6.537 17.955 -7.021 1.00 85.96 C ATOM 1040 CE LYS A 104 -7.333 17.879 -5.725 1.00 90.78 C ATOM 1041 NZ LYS A 104 -8.154 16.631 -5.689 1.00 94.63 N ATOM 1042 HZ1 LYS A 104 -8.814 16.628 -6.493 1.00 0.00 H ATOM 1043 HZ2 LYS A 104 -7.527 15.803 -5.751 1.00 0.00 H ATOM 1044 HZ3 LYS A 104 -8.690 16.596 -4.799 1.00 0.00 H ATOM 1045 H LYS A 104 -3.263 18.145 -6.270 1.00 0.00 H ATOM 1046 N PHE A 105 -1.499 18.176 -8.683 1.00 45.05 N ATOM 1047 CA PHE A 105 -0.253 18.174 -9.456 1.00 43.29 C ATOM 1048 C PHE A 105 0.696 17.199 -8.783 1.00 34.94 C ATOM 1049 O PHE A 105 0.609 17.004 -7.574 1.00 34.20 O ATOM 1050 CB PHE A 105 0.417 19.552 -9.497 1.00 53.95 C ATOM 1051 CG PHE A 105 -0.405 20.631 -10.154 1.00 67.23 C ATOM 1052 CD1 PHE A 105 -0.321 20.856 -11.516 1.00 73.38 C ATOM 1053 CD2 PHE A 105 -1.209 21.464 -9.394 1.00 71.90 C ATOM 1054 CE1 PHE A 105 -1.061 21.860 -12.116 1.00 76.70 C ATOM 1055 CE2 PHE A 105 -1.942 22.469 -9.987 1.00 76.02 C ATOM 1056 CZ PHE A 105 -1.865 22.667 -11.348 1.00 77.57 C ATOM 1057 H PHE A 105 -1.458 18.384 -7.665 1.00 0.00 H ATOM 1058 N LEU A 106 1.608 16.622 -9.540 1.00 31.33 N ATOM 1059 CA LEU A 106 2.563 15.685 -8.996 1.00 30.83 C ATOM 1060 C LEU A 106 3.435 16.389 -7.968 1.00 31.78 C ATOM 1061 O LEU A 106 4.053 17.417 -8.276 1.00 32.27 O ATOM 1062 CB LEU A 106 3.436 15.084 -10.090 1.00 30.33 C ATOM 1063 CG LEU A 106 2.800 14.043 -11.013 1.00 33.49 C ATOM 1064 CD1 LEU A 106 3.773 13.643 -12.111 1.00 34.97 C ATOM 1065 CD2 LEU A 106 2.380 12.800 -10.236 1.00 34.02 C ATOM 1066 H LEU A 106 1.641 16.847 -10.555 1.00 0.00 H ATOM 1067 N PRO A 107 3.477 15.858 -6.741 1.00 31.69 N ATOM 1068 CA PRO A 107 4.449 16.350 -5.759 1.00 30.51 C ATOM 1069 C PRO A 107 5.773 15.638 -5.965 1.00 27.62 C ATOM 1070 O PRO A 107 5.913 14.929 -6.965 1.00 27.15 O ATOM 1071 CB PRO A 107 3.793 16.007 -4.411 1.00 34.16 C ATOM 1072 CG PRO A 107 2.956 14.811 -4.714 1.00 35.98 C ATOM 1073 CD PRO A 107 2.553 14.872 -6.164 1.00 34.41 C ATOM 1074 N ASP A 108 6.742 15.882 -5.090 1.00 26.60 N ATOM 1075 CA ASP A 108 8.084 15.355 -5.250 1.00 25.28 C ATOM 1076 C ASP A 108 8.368 14.101 -4.450 1.00 26.17 C ATOM 1077 O ASP A 108 9.091 13.211 -4.906 1.00 25.62 O ATOM 1078 CB ASP A 108 9.070 16.438 -4.857 1.00 24.86 C ATOM 1079 CG ASP A 108 9.059 17.574 -5.842 1.00 25.62 C ATOM 1080 OD1 ASP A 108 9.038 17.252 -7.060 1.00 24.99 O ATOM 1081 OD2 ASP A 108 9.035 18.738 -5.415 1.00 26.63 O ATOM 1082 H ASP A 108 6.531 16.472 -4.260 1.00 0.00 H ATOM 1083 N LEU A 109 7.818 14.056 -3.238 1.00 26.01 N ATOM 1084 CA LEU A 109 8.055 12.950 -2.324 1.00 26.33 C ATOM 1085 C LEU A 109 6.793 12.591 -1.604 1.00 26.90 C ATOM 1086 O LEU A 109 5.888 13.402 -1.533 1.00 27.40 O ATOM 1087 CB LEU A 109 9.128 13.339 -1.282 1.00 27.16 C ATOM 1088 CG LEU A 109 10.490 13.885 -1.733 1.00 27.28 C ATOM 1089 CD1 LEU A 109 11.265 14.474 -0.539 1.00 28.75 C ATOM 1090 CD2 LEU A 109 11.270 12.761 -2.373 1.00 28.44 C ATOM 1091 H LEU A 109 7.200 14.836 -2.936 1.00 0.00 H ATOM 1092 N TYR A 110 6.750 11.388 -1.042 1.00 28.66 N ATOM 1093 CA TYR A 110 5.786 11.057 -0.006 1.00 29.66 C ATOM 1094 C TYR A 110 6.530 10.617 1.238 1.00 30.86 C ATOM 1095 O TYR A 110 7.444 9.793 1.167 1.00 31.17 O ATOM 1096 CB TYR A 110 4.817 9.953 -0.429 1.00 29.66 C ATOM 1097 CG TYR A 110 3.779 9.712 0.628 1.00 31.46 C ATOM 1098 CD1 TYR A 110 2.704 10.566 0.761 1.00 32.37 C ATOM 1099 CD2 TYR A 110 3.878 8.646 1.499 1.00 34.77 C ATOM 1100 CE1 TYR A 110 1.740 10.359 1.735 1.00 35.61 C ATOM 1101 CE2 TYR A 110 2.912 8.426 2.473 1.00 37.44 C ATOM 1102 CZ TYR A 110 1.861 9.295 2.593 1.00 38.31 C ATOM 1103 OH TYR A 110 0.906 9.105 3.568 1.00 42.04 O ATOM 1104 HH TYR A 110 1.336 9.131 4.459 1.00 0.00 H ATOM 1105 H TYR A 110 7.426 10.662 -1.353 1.00 0.00 H ATOM 1106 N ASP A 111 6.131 11.181 2.370 1.00 31.41 N ATOM 1107 CA ASP A 111 6.754 10.902 3.671 1.00 31.98 C ATOM 1108 C ASP A 111 5.893 9.910 4.448 1.00 34.54 C ATOM 1109 O ASP A 111 4.810 10.261 4.893 1.00 36.12 O ATOM 1110 CB ASP A 111 6.912 12.213 4.443 1.00 31.34 C ATOM 1111 CG ASP A 111 7.682 12.052 5.760 1.00 33.31 C ATOM 1112 OD1 ASP A 111 7.792 10.927 6.268 1.00 34.88 O ATOM 1113 OD2 ASP A 111 8.134 13.086 6.287 1.00 33.49 O ATOM 1114 H ASP A 111 5.338 11.854 2.335 1.00 0.00 H ATOM 1115 N TYR A 112 6.382 8.683 4.619 1.00 35.67 N ATOM 1116 CA TYR A 112 5.634 7.650 5.323 1.00 37.98 C ATOM 1117 C TYR A 112 5.635 7.875 6.820 1.00 38.97 C ATOM 1118 O TYR A 112 4.857 7.248 7.512 1.00 40.73 O ATOM 1119 CB TYR A 112 6.191 6.254 5.038 1.00 39.63 C ATOM 1120 CG TYR A 112 5.787 5.736 3.700 1.00 40.88 C ATOM 1121 CD1 TYR A 112 4.472 5.416 3.435 1.00 44.46 C ATOM 1122 CD2 TYR A 112 6.720 5.567 2.690 1.00 37.71 C ATOM 1123 CE1 TYR A 112 4.093 4.954 2.176 1.00 43.43 C ATOM 1124 CE2 TYR A 112 6.360 5.100 1.445 1.00 37.45 C ATOM 1125 CZ TYR A 112 5.044 4.795 1.197 1.00 40.90 C ATOM 1126 OH TYR A 112 4.673 4.341 -0.054 1.00 43.06 O ATOM 1127 HH TYR A 112 3.698 4.169 -0.066 1.00 0.00 H ATOM 1128 H TYR A 112 7.323 8.456 4.240 1.00 0.00 H ATOM 1129 N LYS A 113 6.524 8.730 7.336 1.00 37.60 N ATOM 1130 CA LYS A 113 6.514 9.016 8.773 1.00 39.65 C ATOM 1131 C LYS A 113 5.432 10.017 9.061 1.00 43.17 C ATOM 1132 O LYS A 113 4.588 9.782 9.918 1.00 47.74 O ATOM 1133 CB LYS A 113 7.857 9.571 9.283 1.00 36.48 C ATOM 1134 CG LYS A 113 7.903 9.809 10.852 1.00 43.34 C ATOM 1135 CD LYS A 113 9.044 10.780 11.211 1.00 47.44 C ATOM 1136 CE LYS A 113 9.186 11.081 12.734 1.00 55.50 C ATOM 1137 NZ LYS A 113 10.157 12.245 12.939 1.00 54.56 N ATOM 1138 HZ1 LYS A 113 11.087 11.992 12.548 1.00 0.00 H ATOM 1139 HZ2 LYS A 113 9.793 13.089 12.452 1.00 0.00 H ATOM 1140 HZ3 LYS A 113 10.249 12.443 13.956 1.00 0.00 H ATOM 1141 H LYS A 113 7.222 9.192 6.718 1.00 0.00 H ATOM 1142 N GLU A 114 5.487 11.151 8.362 1.00 39.80 N ATOM 1143 CA GLU A 114 4.537 12.239 8.600 1.00 39.92 C ATOM 1144 C GLU A 114 3.233 12.042 7.840 1.00 39.33 C ATOM 1145 O GLU A 114 2.307 12.826 8.000 1.00 41.04 O ATOM 1146 CB GLU A 114 5.144 13.573 8.205 1.00 39.98 C ATOM 1147 CG GLU A 114 6.428 13.949 8.981 1.00 44.33 C ATOM 1148 CD GLU A 114 6.159 14.556 10.360 1.00 52.63 C ATOM 1149 OE1 GLU A 114 4.987 14.760 10.726 1.00 51.64 O ATOM 1150 OE2 GLU A 114 7.149 14.853 11.073 1.00 58.28 O ATOM 1151 H GLU A 114 6.220 11.265 7.633 1.00 0.00 H ATOM 1152 N ASN A 115 3.194 11.030 6.984 1.00 37.83 N ATOM 1153 CA ASN A 115 2.011 10.692 6.212 1.00 39.05 C ATOM 1154 C ASN A 115 1.489 11.837 5.357 1.00 39.13 C ATOM 1155 O ASN A 115 0.307 12.189 5.414 1.00 42.02 O ATOM 1156 CB ASN A 115 0.886 10.219 7.151 1.00 44.35 C ATOM 1157 CG ASN A 115 1.348 9.154 8.127 1.00 50.49 C ATOM 1158 OD1 ASN A 115 1.730 8.055 7.723 1.00 51.51 O ATOM 1159 ND2 ASN A 115 1.259 9.455 9.432 1.00 55.16 N ATOM 1160 HD22 ASN A 115 0.931 10.397 9.727 1.00 0.00 H ATOM 1161 HD21 ASN A 115 1.518 8.747 10.148 1.00 0.00 H ATOM 1162 H ASN A 115 4.050 10.452 6.860 1.00 0.00 H ATOM 1163 N ARG A 116 2.360 12.376 4.518 1.00 36.85 N ATOM 1164 CA ARG A 116 2.011 13.513 3.688 1.00 35.28 C ATOM 1165 C ARG A 116 2.927 13.612 2.488 1.00 32.40 C ATOM 1166 O ARG A 116 4.100 13.221 2.552 1.00 30.50 O ATOM 1167 CB ARG A 116 2.088 14.819 4.499 1.00 35.33 C ATOM 1168 CG ARG A 116 3.493 15.189 4.938 1.00 34.45 C ATOM 1169 CD ARG A 116 3.456 16.175 6.085 1.00 38.07 C ATOM 1170 NE ARG A 116 4.793 16.544 6.541 1.00 39.56 N ATOM 1171 CZ ARG A 116 5.017 17.259 7.646 1.00 40.29 C ATOM 1172 NH1 ARG A 116 3.999 17.709 8.358 1.00 41.43 N ATOM 1173 NH2 ARG A 116 6.264 17.563 8.006 1.00 38.35 N ATOM 1174 HE ARG A 116 5.611 16.235 5.978 1.00 0.00 H ATOM 1175 HH12 ARG A 116 4.172 18.266 9.219 1.00 0.00 H ATOM 1176 HH11 ARG A 116 3.024 17.506 8.058 1.00 0.00 H ATOM 1177 HH22 ARG A 116 6.435 18.120 8.867 1.00 0.00 H ATOM 1178 HH21 ARG A 116 7.065 17.243 7.426 1.00 0.00 H ATOM 1179 H ARG A 116 3.317 11.975 4.453 1.00 0.00 H ATOM 1180 N PHE A 117 2.392 14.146 1.387 1.00 31.94 N ATOM 1181 CA PHE A 117 3.195 14.478 0.227 1.00 31.41 C ATOM 1182 C PHE A 117 4.002 15.729 0.538 1.00 32.09 C ATOM 1183 O PHE A 117 3.598 16.544 1.379 1.00 33.74 O ATOM 1184 CB PHE A 117 2.331 14.696 -1.001 1.00 32.66 C ATOM 1185 CG PHE A 117 1.734 13.426 -1.529 1.00 33.80 C ATOM 1186 CD1 PHE A 117 2.500 12.555 -2.282 1.00 31.86 C ATOM 1187 CD2 PHE A 117 0.432 13.089 -1.239 1.00 37.43 C ATOM 1188 CE1 PHE A 117 1.965 11.380 -2.761 1.00 32.87 C ATOM 1189 CE2 PHE A 117 -0.123 11.886 -1.735 1.00 37.56 C ATOM 1190 CZ PHE A 117 0.657 11.044 -2.471 1.00 35.26 C ATOM 1191 H PHE A 117 1.369 14.329 1.361 1.00 0.00 H ATOM 1192 N ILE A 118 5.159 15.831 -0.113 1.00 30.88 N ATOM 1193 CA ILE A 118 6.058 16.989 0.010 1.00 31.42 C ATOM 1194 C ILE A 118 6.328 17.555 -1.362 1.00 29.61 C ATOM 1195 O ILE A 118 6.641 16.803 -2.298 1.00 28.84 O ATOM 1196 CB ILE A 118 7.405 16.620 0.622 1.00 31.66 C ATOM 1197 CG1 ILE A 118 7.212 16.015 2.009 1.00 32.86 C ATOM 1198 CG2 ILE A 118 8.334 17.855 0.711 1.00 31.54 C ATOM 1199 CD1 ILE A 118 8.437 15.291 2.501 1.00 31.90 C ATOM 1200 H ILE A 118 5.442 15.052 -0.741 1.00 0.00 H ATOM 1201 N GLU A 119 6.216 18.872 -1.473 1.00 29.21 N ATOM 1202 CA GLU A 119 6.717 19.623 -2.628 1.00 29.47 C ATOM 1203 C GLU A 119 8.034 20.286 -2.251 1.00 29.47 C ATOM 1204 O GLU A 119 8.060 21.093 -1.310 1.00 30.41 O ATOM 1205 CB GLU A 119 5.716 20.694 -3.052 1.00 31.70 C ATOM 1206 CG GLU A 119 6.198 21.604 -4.149 1.00 31.27 C ATOM 1207 CD GLU A 119 6.549 20.855 -5.429 1.00 31.09 C ATOM 1208 OE1 GLU A 119 5.887 19.835 -5.733 1.00 30.06 O ATOM 1209 OE2 GLU A 119 7.486 21.297 -6.133 1.00 31.19 O ATOM 1210 H GLU A 119 5.751 19.396 -0.705 1.00 0.00 H ATOM 1211 N ILE A 120 9.093 19.925 -2.963 1.00 27.54 N ATOM 1212 CA ILE A 120 10.420 20.514 -2.783 1.00 27.45 C ATOM 1213 C ILE A 120 10.581 21.658 -3.761 1.00 27.79 C ATOM 1214 O ILE A 120 10.229 21.528 -4.942 1.00 28.62 O ATOM 1215 CB ILE A 120 11.547 19.471 -3.019 1.00 29.33 C ATOM 1216 CG1 ILE A 120 11.460 18.314 -2.007 1.00 28.38 C ATOM 1217 CG2 ILE A 120 12.927 20.134 -3.028 1.00 30.82 C ATOM 1218 CD1 ILE A 120 11.671 18.719 -0.597 1.00 31.24 C ATOM 1219 H ILE A 120 8.974 19.186 -3.685 1.00 0.00 H ATOM 1220 N GLY A 121 11.085 22.780 -3.254 1.00 28.72 N ATOM 1221 CA GLY A 121 11.425 23.917 -4.065 1.00 28.65 C ATOM 1222 C GLY A 121 12.878 24.291 -3.866 1.00 29.00 C ATOM 1223 O GLY A 121 13.379 24.230 -2.742 1.00 30.02 O ATOM 1224 H GLY A 121 11.240 22.837 -2.227 1.00 0.00 H ATOM 1225 N VAL A 122 13.550 24.678 -4.945 1.00 27.97 N ATOM 1226 CA VAL A 122 14.910 25.215 -4.883 1.00 30.65 C ATOM 1227 C VAL A 122 14.879 26.515 -5.668 1.00 32.71 C ATOM 1228 O VAL A 122 14.531 26.517 -6.852 1.00 33.71 O ATOM 1229 CB VAL A 122 15.953 24.262 -5.468 1.00 30.81 C ATOM 1230 CG1 VAL A 122 17.332 24.859 -5.367 1.00 33.36 C ATOM 1231 CG2 VAL A 122 15.902 22.937 -4.757 1.00 29.91 C ATOM 1232 H VAL A 122 13.090 24.596 -5.874 1.00 0.00 H ATOM 1233 N THR A 123 15.211 27.618 -5.000 1.00 33.86 N ATOM 1234 CA THR A 123 15.058 28.928 -5.619 1.00 34.58 C ATOM 1235 C THR A 123 16.333 29.744 -5.584 1.00 35.54 C ATOM 1236 O THR A 123 17.094 29.710 -4.597 1.00 37.05 O ATOM 1237 CB THR A 123 13.937 29.756 -4.933 1.00 41.13 C ATOM 1238 OG1 THR A 123 13.772 30.996 -5.625 1.00 45.79 O ATOM 1239 CG2 THR A 123 14.247 30.037 -3.454 1.00 40.08 C ATOM 1240 HG1 THR A 123 13.523 30.817 -6.566 1.00 0.00 H ATOM 1241 H THR A 123 15.582 27.544 -4.031 1.00 0.00 H ATOM 1242 N ARG A 124 16.519 30.506 -6.660 1.00 35.79 N ATOM 1243 CA ARG A 124 17.585 31.487 -6.760 1.00 42.13 C ATOM 1244 C ARG A 124 17.094 32.876 -6.301 1.00 48.74 C ATOM 1245 O ARG A 124 17.802 33.862 -6.465 1.00 49.94 O ATOM 1246 CB ARG A 124 18.091 31.581 -8.204 1.00 45.21 C ATOM 1247 CG ARG A 124 18.716 30.327 -8.787 1.00 48.02 C ATOM 1248 CD ARG A 124 18.447 30.259 -10.303 1.00 53.44 C ATOM 1249 NE ARG A 124 17.450 29.258 -10.523 1.00 51.53 N ATOM 1250 CZ ARG A 124 16.875 28.964 -11.675 1.00 47.73 C ATOM 1251 NH1 ARG A 124 17.150 29.607 -12.807 1.00 46.05 N ATOM 1252 NH2 ARG A 124 15.974 28.013 -11.662 1.00 45.44 N ATOM 1253 HE ARG A 124 17.148 28.707 -9.694 1.00 0.00 H ATOM 1254 HH12 ARG A 124 16.669 29.337 -13.689 1.00 0.00 H ATOM 1255 HH11 ARG A 124 17.846 30.380 -12.810 1.00 0.00 H ATOM 1256 HH22 ARG A 124 15.491 27.742 -12.542 1.00 0.00 H ATOM 1257 HH21 ARG A 124 15.742 27.529 -10.771 1.00 0.00 H ATOM 1258 H ARG A 124 15.871 30.393 -7.466 1.00 0.00 H ATOM 1259 N ARG A 125 15.863 32.926 -5.777 1.00 51.77 N ATOM 1260 CA ARG A 125 15.222 34.137 -5.241 1.00 55.16 C ATOM 1261 C ARG A 125 14.884 33.973 -3.750 1.00 57.16 C ATOM 1262 O ARG A 125 15.305 33.020 -3.123 1.00 60.93 O ATOM 1263 CB ARG A 125 13.960 34.445 -6.023 1.00 57.17 C ATOM 1264 CG ARG A 125 14.207 34.628 -7.514 1.00 64.05 C ATOM 1265 CD ARG A 125 12.901 34.847 -8.278 1.00 72.96 C ATOM 1266 NE ARG A 125 12.083 33.637 -8.368 1.00 77.82 N ATOM 1267 CZ ARG A 125 10.756 33.604 -8.263 1.00 85.18 C ATOM 1268 NH1 ARG A 125 10.057 34.714 -8.066 1.00 89.95 N ATOM 1269 NH2 ARG A 125 10.117 32.448 -8.364 1.00 86.63 N ATOM 1270 HE ARG A 125 12.575 32.735 -8.526 1.00 0.00 H ATOM 1271 HH12 ARG A 125 9.021 34.669 -7.986 1.00 0.00 H ATOM 1272 HH11 ARG A 125 10.545 35.629 -7.991 1.00 0.00 H ATOM 1273 HH22 ARG A 125 9.081 32.418 -8.283 1.00 0.00 H ATOM 1274 HH21 ARG A 125 10.652 31.571 -8.525 1.00 0.00 H ATOM 1275 H ARG A 125 15.318 32.041 -5.746 1.00 0.00 H ATOM 1276 N GLU A 126 14.213 34.948 -3.159 1.00 57.13 N ATOM 1277 CA GLU A 126 13.832 34.884 -1.742 1.00 61.39 C ATOM 1278 C GLU A 126 12.853 33.736 -1.436 1.00 51.71 C ATOM 1279 O GLU A 126 11.816 33.601 -2.080 1.00 51.64 O ATOM 1280 CB GLU A 126 13.252 36.231 -1.336 1.00 79.78 C ATOM 1281 CG GLU A 126 14.276 37.355 -1.521 1.00 98.66 C ATOM 1282 CD GLU A 126 13.773 38.710 -1.079 1.00115.96 C ATOM 1283 OE1 GLU A 126 12.748 39.164 -1.633 1.00119.96 O ATOM 1284 OE2 GLU A 126 14.406 39.325 -0.191 1.00124.28 O ATOM 1285 H GLU A 126 13.947 35.786 -3.715 1.00 0.00 H ATOM 1286 N VAL A 127 13.173 32.918 -0.440 1.00 52.43 N ATOM 1287 CA VAL A 127 12.378 31.731 -0.162 1.00 49.80 C ATOM 1288 C VAL A 127 10.901 32.040 0.076 1.00 51.53 C ATOM 1289 O VAL A 127 10.039 31.237 -0.295 1.00 50.24 O ATOM 1290 CB VAL A 127 12.932 30.957 1.039 1.00 49.40 C ATOM 1291 CG1 VAL A 127 14.279 30.359 0.697 1.00 47.25 C ATOM 1292 CG2 VAL A 127 13.014 31.863 2.294 1.00 54.47 C ATOM 1293 H VAL A 127 14.003 33.129 0.150 1.00 0.00 H ATOM 1294 N HIS A 128 10.601 33.188 0.691 1.00 56.10 N ATOM 1295 CA HIS A 128 9.213 33.534 0.996 1.00 61.09 C ATOM 1296 C HIS A 128 8.373 33.783 -0.244 1.00 56.78 C ATOM 1297 O HIS A 128 7.241 33.316 -0.334 1.00 56.35 O ATOM 1298 CB HIS A 128 9.131 34.762 1.916 1.00 75.83 C ATOM 1299 CG HIS A 128 7.765 34.974 2.503 1.00 89.23 C ATOM 1300 ND1 HIS A 128 7.218 34.131 3.448 1.00 92.02 N ATOM 1301 CD2 HIS A 128 6.847 35.950 2.296 1.00 97.35 C ATOM 1302 CE1 HIS A 128 6.015 34.564 3.781 1.00 96.14 C ATOM 1303 NE2 HIS A 128 5.768 35.669 3.100 1.00 99.47 N ATOM 1304 H HIS A 128 11.364 33.843 0.956 1.00 0.00 H ATOM 1305 N ILE A 129 8.926 34.513 -1.196 1.00 55.39 N ATOM 1306 CA ILE A 129 8.209 34.803 -2.422 1.00 58.48 C ATOM 1307 C ILE A 129 7.938 33.474 -3.115 1.00 54.80 C ATOM 1308 O ILE A 129 6.812 33.184 -3.538 1.00 54.87 O ATOM 1309 CB ILE A 129 9.023 35.747 -3.307 1.00 65.42 C ATOM 1310 CG1 ILE A 129 9.189 37.087 -2.563 1.00 76.92 C ATOM 1311 CG2 ILE A 129 8.338 35.930 -4.663 1.00 64.95 C ATOM 1312 CD1 ILE A 129 10.217 38.042 -3.147 1.00 82.65 C ATOM 1313 H ILE A 129 9.888 34.885 -1.064 1.00 0.00 H ATOM 1314 N TYR A 130 8.976 32.647 -3.157 1.00 53.97 N ATOM 1315 CA TYR A 130 8.918 31.354 -3.804 1.00 50.63 C ATOM 1316 C TYR A 130 7.971 30.412 -3.069 1.00 47.38 C ATOM 1317 O TYR A 130 7.234 29.664 -3.706 1.00 47.06 O ATOM 1318 CB TYR A 130 10.306 30.734 -3.849 1.00 49.22 C ATOM 1319 CG TYR A 130 10.421 29.645 -4.867 1.00 49.99 C ATOM 1320 CD1 TYR A 130 10.475 29.938 -6.212 1.00 55.83 C ATOM 1321 CD2 TYR A 130 10.408 28.321 -4.489 1.00 45.65 C ATOM 1322 CE1 TYR A 130 10.560 28.940 -7.150 1.00 55.71 C ATOM 1323 CE2 TYR A 130 10.496 27.317 -5.421 1.00 45.49 C ATOM 1324 CZ TYR A 130 10.564 27.633 -6.747 1.00 51.23 C ATOM 1325 OH TYR A 130 10.648 26.630 -7.676 1.00 53.09 O ATOM 1326 HH TYR A 130 11.465 26.095 -7.510 1.00 0.00 H ATOM 1327 H TYR A 130 9.866 32.940 -2.707 1.00 0.00 H ATOM 1328 N TYR A 131 7.979 30.460 -1.732 1.00 45.72 N ATOM 1329 CA TYR A 131 7.059 29.634 -0.950 1.00 45.73 C ATOM 1330 C TYR A 131 5.627 29.970 -1.366 1.00 49.26 C ATOM 1331 O TYR A 131 4.809 29.091 -1.631 1.00 48.61 O ATOM 1332 CB TYR A 131 7.216 29.850 0.569 1.00 47.03 C ATOM 1333 CG TYR A 131 6.240 28.995 1.326 1.00 47.05 C ATOM 1334 CD1 TYR A 131 4.924 29.405 1.526 1.00 53.17 C ATOM 1335 CD2 TYR A 131 6.608 27.754 1.790 1.00 41.32 C ATOM 1336 CE1 TYR A 131 4.022 28.602 2.185 1.00 51.53 C ATOM 1337 CE2 TYR A 131 5.722 26.954 2.449 1.00 41.12 C ATOM 1338 CZ TYR A 131 4.428 27.374 2.638 1.00 47.08 C ATOM 1339 OH TYR A 131 3.550 26.542 3.299 1.00 50.84 O ATOM 1340 HH TYR A 131 2.664 26.979 3.357 1.00 0.00 H ATOM 1341 H TYR A 131 8.646 31.091 -1.244 1.00 0.00 H ATOM 1342 N LEU A 132 5.352 31.258 -1.446 1.00 54.24 N ATOM 1343 CA LEU A 132 4.034 31.763 -1.786 1.00 59.75 C ATOM 1344 C LEU A 132 3.587 31.289 -3.168 1.00 62.42 C ATOM 1345 O LEU A 132 2.424 30.928 -3.365 1.00 67.48 O ATOM 1346 CB LEU A 132 4.052 33.285 -1.730 1.00 63.60 C ATOM 1347 CG LEU A 132 3.278 33.941 -0.595 1.00 68.13 C ATOM 1348 CD1 LEU A 132 3.811 33.482 0.757 1.00 68.81 C ATOM 1349 CD2 LEU A 132 3.415 35.444 -0.730 1.00 71.06 C ATOM 1350 H LEU A 132 6.113 31.941 -1.257 1.00 0.00 H ATOM 1351 N GLU A 133 4.510 31.288 -4.126 1.00 59.23 N ATOM 1352 CA GLU A 133 4.189 30.844 -5.476 1.00 60.07 C ATOM 1353 C GLU A 133 3.805 29.369 -5.497 1.00 53.26 C ATOM 1354 O GLU A 133 2.797 29.000 -6.081 1.00 54.20 O ATOM 1355 CB GLU A 133 5.373 31.080 -6.400 1.00 66.67 C ATOM 1356 CG GLU A 133 5.577 32.540 -6.743 1.00 80.15 C ATOM 1357 CD GLU A 133 6.752 32.764 -7.663 1.00 89.27 C ATOM 1358 OE1 GLU A 133 7.346 31.763 -8.121 1.00 90.69 O ATOM 1359 OE2 GLU A 133 7.087 33.942 -7.914 1.00 94.58 O ATOM 1360 H GLU A 133 5.475 31.609 -3.908 1.00 0.00 H ATOM 1361 N LYS A 134 4.593 28.537 -4.826 1.00 50.63 N ATOM 1362 CA LYS A 134 4.337 27.097 -4.795 1.00 50.55 C ATOM 1363 C LYS A 134 3.003 26.814 -4.154 1.00 50.17 C ATOM 1364 O LYS A 134 2.220 25.986 -4.640 1.00 50.70 O ATOM 1365 CB LYS A 134 5.413 26.354 -4.005 1.00 51.04 C ATOM 1366 CG LYS A 134 6.713 26.157 -4.710 1.00 53.11 C ATOM 1367 CD LYS A 134 6.519 25.257 -5.910 1.00 53.58 C ATOM 1368 CE LYS A 134 7.831 24.687 -6.358 1.00 47.46 C ATOM 1369 NZ LYS A 134 7.624 23.986 -7.629 1.00 45.04 N ATOM 1370 HZ1 LYS A 134 6.932 23.222 -7.493 1.00 0.00 H ATOM 1371 HZ2 LYS A 134 7.267 24.657 -8.339 1.00 0.00 H ATOM 1372 HZ3 LYS A 134 8.527 23.584 -7.953 1.00 0.00 H ATOM 1373 H LYS A 134 5.412 28.918 -4.310 1.00 0.00 H ATOM 1374 N ALA A 135 2.756 27.522 -3.053 1.00 48.47 N ATOM 1375 CA ALA A 135 1.535 27.358 -2.277 1.00 50.44 C ATOM 1376 C ALA A 135 0.297 27.680 -3.102 1.00 58.04 C ATOM 1377 O ALA A 135 -0.727 26.979 -3.023 1.00 56.29 O ATOM 1378 CB ALA A 135 1.583 28.241 -1.065 1.00 51.82 C ATOM 1379 H ALA A 135 3.461 28.218 -2.736 1.00 0.00 H ATOM 1380 N ASN A 136 0.368 28.767 -3.862 1.00 69.07 N ATOM 1381 CA ASN A 136 -0.757 29.171 -4.696 1.00 78.69 C ATOM 1382 C ASN A 136 -1.069 28.160 -5.779 1.00 78.87 C ATOM 1383 O ASN A 136 -2.221 27.992 -6.150 1.00 83.65 O ATOM 1384 CB ASN A 136 -0.498 30.526 -5.336 1.00 86.03 C ATOM 1385 CG ASN A 136 -0.351 31.629 -4.313 1.00 93.61 C ATOM 1386 OD1 ASN A 136 -0.743 31.474 -3.155 1.00 93.18 O ATOM 1387 ND2 ASN A 136 0.191 32.765 -4.742 1.00101.16 N ATOM 1388 HD22 ASN A 136 0.508 32.850 -5.729 1.00 0.00 H ATOM 1389 HD21 ASN A 136 0.298 33.569 -4.091 1.00 0.00 H ATOM 1390 H ASN A 136 1.238 29.337 -3.862 1.00 0.00 H ATOM 1391 N LYS A 137 -0.051 27.467 -6.273 1.00 75.40 N ATOM 1392 CA LYS A 137 -0.277 26.460 -7.298 1.00 77.52 C ATOM 1393 C LYS A 137 -0.874 25.197 -6.684 1.00 78.47 C ATOM 1394 O LYS A 137 -1.638 24.482 -7.322 1.00 82.37 O ATOM 1395 CB LYS A 137 1.027 26.126 -8.019 1.00 77.38 C ATOM 1396 CG LYS A 137 0.836 25.187 -9.193 1.00 84.21 C ATOM 1397 CD LYS A 137 2.150 24.722 -9.793 1.00 87.39 C ATOM 1398 CE LYS A 137 1.902 23.807 -10.996 1.00 93.56 C ATOM 1399 NZ LYS A 137 3.079 22.927 -11.251 1.00 92.75 N ATOM 1400 HZ1 LYS A 137 3.914 23.515 -11.446 1.00 0.00 H ATOM 1401 HZ2 LYS A 137 3.257 22.337 -10.414 1.00 0.00 H ATOM 1402 HZ3 LYS A 137 2.884 22.318 -12.071 1.00 0.00 H ATOM 1403 H LYS A 137 0.913 27.645 -5.926 1.00 0.00 H ATOM 1404 N ILE A 138 -0.512 24.936 -5.437 1.00 76.91 N ATOM 1405 CA ILE A 138 -0.895 23.714 -4.731 1.00 79.13 C ATOM 1406 C ILE A 138 -2.334 23.748 -4.226 1.00 84.54 C ATOM 1407 O ILE A 138 -3.075 22.790 -4.422 1.00 86.71 O ATOM 1408 CB ILE A 138 0.094 23.445 -3.584 1.00 78.74 C ATOM 1409 CG1 ILE A 138 1.239 22.596 -4.123 1.00 78.70 C ATOM 1410 CG2 ILE A 138 -0.549 22.721 -2.419 1.00 78.07 C ATOM 1411 CD1 ILE A 138 2.433 22.559 -3.237 1.00 76.63 C ATOM 1412 H ILE A 138 0.073 25.634 -4.935 1.00 0.00 H ATOM 1413 N LYS A 139 -2.699 24.817 -3.525 1.00 88.09 N ATOM 1414 CA LYS A 139 -4.070 25.014 -3.030 1.00 98.69 C ATOM 1415 C LYS A 139 -4.686 23.868 -2.213 1.00102.00 C ATOM 1416 O LYS A 139 -5.904 23.808 -2.040 1.00103.71 O ATOM 1417 CB LYS A 139 -4.988 25.309 -4.228 1.00105.71 C ATOM 1418 CG LYS A 139 -4.940 26.741 -4.717 1.00109.14 C ATOM 1419 CD LYS A 139 -5.720 27.659 -3.791 1.00112.16 C ATOM 1420 CE LYS A 139 -5.344 29.110 -3.996 1.00113.00 C ATOM 1421 NZ LYS A 139 -5.850 29.958 -2.888 1.00115.43 N ATOM 1422 HZ1 LYS A 139 -6.887 29.887 -2.844 1.00 0.00 H ATOM 1423 HZ2 LYS A 139 -5.440 29.633 -1.989 1.00 0.00 H ATOM 1424 HZ3 LYS A 139 -5.576 30.947 -3.057 1.00 0.00 H ATOM 1425 H LYS A 139 -1.985 25.544 -3.318 1.00 0.00 H ATOM 1426 N SER A 140 -3.854 22.986 -1.678 1.00103.73 N ATOM 1427 CA SER A 140 -4.331 21.716 -1.146 1.00106.32 C ATOM 1428 C SER A 140 -3.584 21.552 0.144 1.00107.87 C ATOM 1429 O SER A 140 -2.419 21.178 0.163 1.00 98.63 O ATOM 1430 CB SER A 140 -4.086 20.545 -2.089 1.00105.35 C ATOM 1431 OG SER A 140 -2.748 20.510 -2.523 1.00103.21 O ATOM 1432 HG SER A 140 -2.620 19.741 -3.133 1.00 0.00 H ATOM 1433 H SER A 140 -2.838 23.205 -1.637 1.00 0.00 H ATOM 1434 N GLU A 141 -4.297 21.811 1.230 1.00123.36 N ATOM 1435 CA GLU A 141 -3.700 21.988 2.541 1.00126.98 C ATOM 1436 C GLU A 141 -2.820 20.807 2.939 1.00113.91 C ATOM 1437 O GLU A 141 -1.973 20.931 3.828 1.00120.90 O ATOM 1438 CB GLU A 141 -4.806 22.207 3.580 1.00136.30 C ATOM 1439 CG GLU A 141 -5.727 23.395 3.273 1.00141.26 C ATOM 1440 CD GLU A 141 -5.188 24.722 3.769 1.00140.84 C ATOM 1441 OE1 GLU A 141 -3.976 24.969 3.612 1.00137.78 O ATOM 1442 OE2 GLU A 141 -5.981 25.525 4.305 1.00144.09 O ATOM 1443 H GLU A 141 -5.330 21.891 1.139 1.00 0.00 H ATOM 1444 N LYS A 142 -2.999 19.673 2.269 1.00 90.22 N ATOM 1445 CA LYS A 142 -2.324 18.460 2.690 1.00 71.26 C ATOM 1446 C LYS A 142 -0.846 18.430 2.314 1.00 54.05 C ATOM 1447 O LYS A 142 -0.039 18.023 3.143 1.00 53.29 O ATOM 1448 CB LYS A 142 -3.017 17.232 2.106 1.00 76.22 C ATOM 1449 CG LYS A 142 -4.478 17.005 2.530 1.00 84.88 C ATOM 1450 CD LYS A 142 -4.751 17.289 4.004 1.00 87.67 C ATOM 1451 CE LYS A 142 -6.256 17.282 4.279 1.00 92.30 C ATOM 1452 NZ LYS A 142 -6.601 16.815 5.658 1.00 92.21 N ATOM 1453 HZ1 LYS A 142 -6.252 15.844 5.791 1.00 0.00 H ATOM 1454 HZ2 LYS A 142 -6.156 17.444 6.357 1.00 0.00 H ATOM 1455 HZ3 LYS A 142 -7.634 16.834 5.781 1.00 0.00 H ATOM 1456 H LYS A 142 -3.626 19.655 1.439 1.00 0.00 H ATOM 1457 N THR A 143 -0.486 18.905 1.116 1.00 44.66 N ATOM 1458 CA THR A 143 0.896 18.786 0.641 1.00 39.38 C ATOM 1459 C THR A 143 1.784 19.782 1.373 1.00 38.92 C ATOM 1460 O THR A 143 1.517 20.973 1.416 1.00 42.45 O ATOM 1461 CB THR A 143 1.033 19.022 -0.858 1.00 40.47 C ATOM 1462 OG1 THR A 143 0.235 18.077 -1.552 1.00 44.30 O ATOM 1463 CG2 THR A 143 2.449 18.832 -1.281 1.00 36.43 C ATOM 1464 HG1 THR A 143 -0.712 18.185 -1.283 1.00 0.00 H ATOM 1465 H THR A 143 -1.197 19.365 0.513 1.00 0.00 H ATOM 1466 N HIS A 144 2.833 19.245 1.960 1.00 35.54 N ATOM 1467 CA HIS A 144 3.809 20.017 2.686 1.00 36.35 C ATOM 1468 C HIS A 144 4.826 20.630 1.727 1.00 37.87 C ATOM 1469 O HIS A 144 5.278 19.984 0.804 1.00 38.98 O ATOM 1470 CB HIS A 144 4.495 19.120 3.697 1.00 34.80 C ATOM 1471 CG HIS A 144 4.950 19.843 4.915 1.00 38.03 C ATOM 1472 ND1 HIS A 144 4.090 20.220 5.918 1.00 43.11 N ATOM 1473 CD2 HIS A 144 6.173 20.280 5.278 1.00 38.95 C ATOM 1474 CE1 HIS A 144 4.770 20.843 6.862 1.00 46.69 C ATOM 1475 NE2 HIS A 144 6.035 20.909 6.485 1.00 43.51 N ATOM 1476 H HIS A 144 2.963 18.215 1.897 1.00 0.00 H ATOM 1477 N ILE A 145 5.193 21.885 1.948 1.00 37.61 N ATOM 1478 CA ILE A 145 6.129 22.556 1.074 1.00 34.95 C ATOM 1479 C ILE A 145 7.426 22.812 1.807 1.00 32.64 C ATOM 1480 O ILE A 145 7.404 23.269 2.927 1.00 33.20 O ATOM 1481 CB ILE A 145 5.551 23.878 0.574 1.00 37.02 C ATOM 1482 CG1 ILE A 145 4.276 23.604 -0.226 1.00 38.04 C ATOM 1483 CG2 ILE A 145 6.589 24.634 -0.288 1.00 36.42 C ATOM 1484 CD1 ILE A 145 3.484 24.830 -0.498 1.00 41.33 C ATOM 1485 H ILE A 145 4.801 22.396 2.765 1.00 0.00 H ATOM 1486 N HIS A 146 8.540 22.536 1.163 1.00 31.01 N ATOM 1487 CA HIS A 146 9.849 22.812 1.764 1.00 31.52 C ATOM 1488 C HIS A 146 10.736 23.441 0.708 1.00 30.42 C ATOM 1489 O HIS A 146 10.993 22.840 -0.325 1.00 29.34 O ATOM 1490 CB HIS A 146 10.492 21.547 2.320 1.00 30.37 C ATOM 1491 CG HIS A 146 11.631 21.809 3.246 1.00 31.47 C ATOM 1492 ND1 HIS A 146 11.869 21.039 4.363 1.00 32.03 N ATOM 1493 CD2 HIS A 146 12.615 22.747 3.217 1.00 32.45 C ATOM 1494 CE1 HIS A 146 12.940 21.494 4.986 1.00 33.03 C ATOM 1495 NE2 HIS A 146 13.404 22.538 4.323 1.00 32.69 N ATOM 1496 H HIS A 146 8.491 22.116 0.213 1.00 0.00 H ATOM 1497 N ILE A 147 11.122 24.694 0.973 1.00 30.57 N ATOM 1498 CA ILE A 147 11.881 25.523 0.028 1.00 32.41 C ATOM 1499 C ILE A 147 13.288 25.688 0.525 1.00 33.52 C ATOM 1500 O ILE A 147 13.459 26.021 1.689 1.00 32.55 O ATOM 1501 CB ILE A 147 11.288 26.927 -0.111 1.00 34.72 C ATOM 1502 CG1 ILE A 147 9.792 26.861 -0.419 1.00 36.04 C ATOM 1503 CG2 ILE A 147 12.016 27.688 -1.192 1.00 35.98 C ATOM 1504 CD1 ILE A 147 9.443 26.096 -1.695 1.00 35.68 C ATOM 1505 H ILE A 147 10.872 25.102 1.896 1.00 0.00 H ATOM 1506 N PHE A 148 14.261 25.467 -0.366 1.00 33.55 N ATOM 1507 CA PHE A 148 15.668 25.773 -0.147 1.00 33.07 C ATOM 1508 C PHE A 148 16.107 26.871 -1.097 1.00 34.80 C ATOM 1509 O PHE A 148 15.623 26.957 -2.237 1.00 35.12 O ATOM 1510 CB PHE A 148 16.555 24.551 -0.392 1.00 30.68 C ATOM 1511 CG PHE A 148 16.270 23.407 0.499 1.00 29.90 C ATOM 1512 CD1 PHE A 148 15.332 22.469 0.138 1.00 30.16 C ATOM 1513 CD2 PHE A 148 16.965 23.249 1.701 1.00 29.84 C ATOM 1514 CE1 PHE A 148 15.082 21.395 0.961 1.00 28.84 C ATOM 1515 CE2 PHE A 148 16.721 22.176 2.511 1.00 27.58 C ATOM 1516 CZ PHE A 148 15.784 21.265 2.163 1.00 26.93 C ATOM 1517 H PHE A 148 13.994 25.047 -1.279 1.00 0.00 H ATOM 1518 N SER A 149 17.030 27.714 -0.641 1.00 35.76 N ATOM 1519 CA SER A 149 17.688 28.674 -1.515 1.00 38.14 C ATOM 1520 C SER A 149 19.134 28.289 -1.686 1.00 38.33 C ATOM 1521 O SER A 149 19.638 27.422 -0.994 1.00 38.26 O ATOM 1522 CB SER A 149 17.596 30.087 -0.960 1.00 44.29 C ATOM 1523 OG SER A 149 18.504 30.246 0.123 1.00 46.68 O ATOM 1524 HG SER A 149 18.436 31.168 0.476 1.00 0.00 H ATOM 1525 H SER A 149 17.288 27.686 0.366 1.00 0.00 H ATOM 1526 N PHE A 150 19.836 28.980 -2.565 1.00 35.26 N ATOM 1527 CA PHE A 150 21.252 28.712 -2.745 1.00 39.15 C ATOM 1528 C PHE A 150 22.126 29.387 -1.687 1.00 45.08 C ATOM 1529 O PHE A 150 23.346 29.208 -1.708 1.00 48.85 O ATOM 1530 CB PHE A 150 21.702 29.140 -4.151 1.00 39.47 C ATOM 1531 CG PHE A 150 21.318 28.163 -5.213 1.00 37.57 C ATOM 1532 CD1 PHE A 150 20.071 28.205 -5.783 1.00 37.23 C ATOM 1533 CD2 PHE A 150 22.223 27.210 -5.667 1.00 36.71 C ATOM 1534 CE1 PHE A 150 19.721 27.291 -6.788 1.00 36.45 C ATOM 1535 CE2 PHE A 150 21.876 26.324 -6.654 1.00 34.82 C ATOM 1536 CZ PHE A 150 20.636 26.362 -7.210 1.00 34.88 C ATOM 1537 H PHE A 150 19.373 29.719 -3.131 1.00 0.00 H ATOM 1538 N THR A 151 21.511 30.189 -0.814 1.00 45.30 N ATOM 1539 CA THR A 151 22.254 30.913 0.214 1.00 46.51 C ATOM 1540 C THR A 151 21.919 30.458 1.641 1.00 43.33 C ATOM 1541 O THR A 151 22.233 31.160 2.600 1.00 44.26 O ATOM 1542 CB THR A 151 22.008 32.424 0.111 1.00 52.50 C ATOM 1543 OG1 THR A 151 20.612 32.707 0.239 1.00 51.69 O ATOM 1544 CG2 THR A 151 22.511 32.935 -1.212 1.00 57.16 C ATOM 1545 HG1 THR A 151 20.290 32.385 1.118 1.00 0.00 H ATOM 1546 H THR A 151 20.478 30.301 -0.867 1.00 0.00 H ATOM 1547 N GLY A 152 21.272 29.310 1.780 1.00 40.24 N ATOM 1548 CA GLY A 152 21.081 28.696 3.088 1.00 42.46 C ATOM 1549 C GLY A 152 19.741 28.933 3.756 1.00 44.25 C ATOM 1550 O GLY A 152 19.463 28.338 4.810 1.00 43.33 O ATOM 1551 H GLY A 152 20.892 28.836 0.936 1.00 0.00 H ATOM 1552 N GLU A 153 18.919 29.814 3.182 1.00 45.42 N ATOM 1553 CA GLU A 153 17.580 30.066 3.717 1.00 44.54 C ATOM 1554 C GLU A 153 16.666 28.901 3.391 1.00 39.62 C ATOM 1555 O GLU A 153 16.794 28.274 2.333 1.00 37.08 O ATOM 1556 CB GLU A 153 16.984 31.366 3.162 1.00 51.27 C ATOM 1557 CG GLU A 153 17.706 32.648 3.583 1.00 63.57 C ATOM 1558 CD GLU A 153 18.798 33.089 2.617 1.00 73.07 C ATOM 1559 OE1 GLU A 153 19.136 32.313 1.698 1.00 71.66 O ATOM 1560 OE2 GLU A 153 19.313 34.222 2.771 1.00 81.07 O ATOM 1561 H GLU A 153 19.236 30.332 2.338 1.00 0.00 H ATOM 1562 N GLU A 154 15.760 28.587 4.320 1.00 40.50 N ATOM 1563 CA GLU A 154 14.697 27.612 4.085 1.00 39.98 C ATOM 1564 C GLU A 154 13.360 28.205 4.529 1.00 40.35 C ATOM 1565 O GLU A 154 13.314 29.061 5.420 1.00 40.95 O ATOM 1566 CB GLU A 154 14.910 26.328 4.874 1.00 41.62 C ATOM 1567 CG GLU A 154 16.227 25.643 4.760 1.00 42.26 C ATOM 1568 CD GLU A 154 16.342 24.536 5.800 1.00 40.60 C ATOM 1569 OE1 GLU A 154 17.013 24.758 6.831 1.00 40.50 O ATOM 1570 OE2 GLU A 154 15.727 23.471 5.612 1.00 37.93 O ATOM 1571 H GLU A 154 15.813 29.055 5.247 1.00 0.00 H ATOM 1572 N MET A 155 12.284 27.720 3.939 1.00 40.18 N ATOM 1573 CA MET A 155 10.946 28.012 4.422 1.00 41.82 C ATOM 1574 C MET A 155 10.090 26.776 4.221 1.00 39.62 C ATOM 1575 O MET A 155 10.077 26.173 3.133 1.00 38.45 O ATOM 1576 CB MET A 155 10.332 29.205 3.703 1.00 45.54 C ATOM 1577 CG MET A 155 8.888 29.449 4.146 1.00 50.38 C ATOM 1578 SD MET A 155 8.205 31.054 3.697 1.00 66.22 S ATOM 1579 CE MET A 155 6.540 30.928 4.381 1.00104.20 C ATOM 1580 H MET A 155 12.397 27.111 3.104 1.00 0.00 H ATOM 1581 N ALA A 156 9.379 26.386 5.273 1.00 38.50 N ATOM 1582 CA ALA A 156 8.535 25.211 5.179 1.00 36.92 C ATOM 1583 C ALA A 156 7.203 25.454 5.848 1.00 38.80 C ATOM 1584 O ALA A 156 7.097 26.238 6.793 1.00 39.92 O ATOM 1585 CB ALA A 156 9.214 24.018 5.782 1.00 35.86 C ATOM 1586 H ALA A 156 9.428 26.923 6.163 1.00 0.00 H ATOM 1587 N THR A 157 6.199 24.760 5.328 1.00 39.59 N ATOM 1588 CA THR A 157 4.843 24.846 5.816 1.00 41.46 C ATOM 1589 C THR A 157 4.803 24.720 7.352 1.00 41.38 C ATOM 1590 O THR A 157 5.402 23.794 7.913 1.00 39.03 O ATOM 1591 CB THR A 157 4.013 23.763 5.155 1.00 41.44 C ATOM 1592 OG1 THR A 157 4.088 23.906 3.722 1.00 39.17 O ATOM 1593 CG2 THR A 157 2.540 23.819 5.603 1.00 47.11 C ATOM 1594 HG1 THR A 157 3.739 24.795 3.462 1.00 0.00 H ATOM 1595 H THR A 157 6.398 24.123 4.530 1.00 0.00 H ATOM 1596 N LYS A 158 4.126 25.676 7.989 1.00 45.23 N ATOM 1597 CA LYS A 158 3.898 25.699 9.438 1.00 48.95 C ATOM 1598 C LYS A 158 5.190 25.629 10.256 1.00 47.48 C ATOM 1599 O LYS A 158 5.164 25.190 11.403 1.00 48.24 O ATOM 1600 CB LYS A 158 2.973 24.532 9.820 1.00 52.21 C ATOM 1601 CG LYS A 158 1.577 24.636 9.224 1.00 60.57 C ATOM 1602 CD LYS A 158 0.690 23.459 9.607 1.00 71.59 C ATOM 1603 CE LYS A 158 0.248 23.498 11.064 1.00 85.20 C ATOM 1604 NZ LYS A 158 -0.575 24.693 11.440 1.00 95.28 N ATOM 1605 HZ1 LYS A 158 -0.025 25.559 11.270 1.00 0.00 H ATOM 1606 HZ2 LYS A 158 -1.440 24.712 10.863 1.00 0.00 H ATOM 1607 HZ3 LYS A 158 -0.829 24.634 12.447 1.00 0.00 H ATOM 1608 H LYS A 158 3.735 26.455 7.422 1.00 0.00 H ATOM 1609 N ALA A 159 6.307 26.056 9.657 1.00 45.01 N ATOM 1610 CA ALA A 159 7.618 26.038 10.321 1.00 42.48 C ATOM 1611 C ALA A 159 7.987 24.639 10.768 1.00 39.72 C ATOM 1612 O ALA A 159 8.670 24.465 11.775 1.00 40.94 O ATOM 1613 CB ALA A 159 7.635 26.967 11.502 1.00 43.85 C ATOM 1614 H ALA A 159 6.245 26.415 8.683 1.00 0.00 H ATOM 1615 N ASP A 160 7.473 23.671 10.045 1.00 37.25 N ATOM 1616 CA ASP A 160 7.747 22.245 10.231 1.00 35.98 C ATOM 1617 C ASP A 160 8.737 21.791 9.150 1.00 35.49 C ATOM 1618 O ASP A 160 8.365 21.605 7.990 1.00 34.61 O ATOM 1619 CB ASP A 160 6.428 21.478 10.171 1.00 37.11 C ATOM 1620 CG ASP A 160 6.587 19.980 10.321 1.00 39.65 C ATOM 1621 OD1 ASP A 160 7.740 19.452 10.265 1.00 40.55 O ATOM 1622 OD2 ASP A 160 5.517 19.299 10.414 1.00 40.85 O ATOM 1623 H ASP A 160 6.820 23.938 9.281 1.00 0.00 H ATOM 1624 N TYR A 161 9.989 21.555 9.549 1.00 35.24 N ATOM 1625 CA TYR A 161 11.075 21.344 8.585 1.00 32.59 C ATOM 1626 C TYR A 161 11.396 19.896 8.264 1.00 32.25 C ATOM 1627 O TYR A 161 12.302 19.591 7.455 1.00 30.70 O ATOM 1628 CB TYR A 161 12.304 22.075 9.111 1.00 31.93 C ATOM 1629 CG TYR A 161 12.103 23.527 8.887 1.00 34.57 C ATOM 1630 CD1 TYR A 161 11.419 24.316 9.803 1.00 37.00 C ATOM 1631 CD2 TYR A 161 12.518 24.101 7.697 1.00 36.09 C ATOM 1632 CE1 TYR A 161 11.198 25.650 9.550 1.00 40.45 C ATOM 1633 CE2 TYR A 161 12.305 25.420 7.437 1.00 38.08 C ATOM 1634 CZ TYR A 161 11.628 26.178 8.325 1.00 41.71 C ATOM 1635 OH TYR A 161 11.422 27.481 7.978 1.00 46.59 O ATOM 1636 HH TYR A 161 10.919 27.938 8.698 1.00 0.00 H ATOM 1637 H TYR A 161 10.200 21.520 10.567 1.00 0.00 H ATOM 1638 N THR A 162 10.595 19.008 8.855 1.00 33.00 N ATOM 1639 CA THR A 162 10.580 17.572 8.594 1.00 33.43 C ATOM 1640 C THR A 162 11.838 16.823 9.026 1.00 34.23 C ATOM 1641 O THR A 162 11.746 15.858 9.821 1.00 35.46 O ATOM 1642 CB THR A 162 10.295 17.278 7.079 1.00 32.05 C ATOM 1643 OG1 THR A 162 8.980 17.739 6.730 1.00 31.51 O ATOM 1644 CG2 THR A 162 10.326 15.814 6.803 1.00 31.77 C ATOM 1645 HG1 THR A 162 8.920 18.714 6.891 1.00 0.00 H ATOM 1646 H THR A 162 9.924 19.370 9.562 1.00 0.00 H ATOM 1647 N LEU A 163 12.987 17.264 8.516 1.00 31.99 N ATOM 1648 CA LEU A 163 14.281 16.633 8.737 1.00 31.75 C ATOM 1649 C LEU A 163 15.104 17.351 9.808 1.00 32.90 C ATOM 1650 O LEU A 163 14.890 18.527 10.123 1.00 34.45 O ATOM 1651 CB LEU A 163 15.114 16.601 7.435 1.00 31.37 C ATOM 1652 CG LEU A 163 14.488 15.934 6.213 1.00 34.05 C ATOM 1653 CD1 LEU A 163 15.454 16.044 5.044 1.00 33.81 C ATOM 1654 CD2 LEU A 163 14.136 14.474 6.512 1.00 38.05 C ATOM 1655 H LEU A 163 12.958 18.116 7.920 1.00 0.00 H ATOM 1656 N ASP A 164 16.057 16.610 10.358 1.00 32.68 N ATOM 1657 CA ASP A 164 17.056 17.119 11.321 1.00 35.48 C ATOM 1658 C ASP A 164 17.971 18.153 10.653 1.00 34.78 C ATOM 1659 O ASP A 164 18.040 18.234 9.395 1.00 32.81 O ATOM 1660 CB ASP A 164 17.881 15.948 11.813 1.00 40.02 C ATOM 1661 CG ASP A 164 18.513 15.225 10.647 1.00 44.33 C ATOM 1662 OD1 ASP A 164 17.762 14.567 9.886 1.00 51.07 O ATOM 1663 OD2 ASP A 164 19.718 15.386 10.411 1.00 40.92 O ATOM 1664 H ASP A 164 16.104 15.605 10.094 1.00 0.00 H ATOM 1665 N GLU A 165 18.710 18.904 11.472 1.00 35.78 N ATOM 1666 CA GLU A 165 19.572 19.950 10.964 1.00 36.70 C ATOM 1667 C GLU A 165 20.677 19.387 10.100 1.00 36.93 C ATOM 1668 O GLU A 165 21.070 20.001 9.090 1.00 36.70 O ATOM 1669 CB GLU A 165 20.176 20.747 12.145 1.00 40.85 C ATOM 1670 CG GLU A 165 19.137 21.536 12.890 1.00 40.97 C ATOM 1671 CD GLU A 165 18.613 22.686 12.065 1.00 39.21 C ATOM 1672 OE1 GLU A 165 19.416 23.389 11.402 1.00 38.05 O ATOM 1673 OE2 GLU A 165 17.397 22.910 12.069 1.00 39.13 O ATOM 1674 H GLU A 165 18.666 18.734 12.497 1.00 0.00 H ATOM 1675 N GLU A 166 21.191 18.215 10.456 1.00 35.46 N ATOM 1676 CA GLU A 166 22.351 17.722 9.698 1.00 40.80 C ATOM 1677 C GLU A 166 21.932 17.363 8.256 1.00 33.30 C ATOM 1678 O GLU A 166 22.650 17.667 7.328 1.00 32.93 O ATOM 1679 CB GLU A 166 23.011 16.546 10.411 1.00 61.48 C ATOM 1680 CG GLU A 166 23.749 17.040 11.667 1.00 86.61 C ATOM 1681 CD GLU A 166 24.416 15.948 12.497 1.00106.80 C ATOM 1682 OE1 GLU A 166 24.393 14.769 12.084 1.00111.63 O ATOM 1683 OE2 GLU A 166 24.980 16.285 13.563 1.00115.61 O ATOM 1684 H GLU A 166 20.788 17.666 11.242 1.00 0.00 H ATOM 1685 N SER A 167 20.772 16.750 8.093 1.00 34.05 N ATOM 1686 CA SER A 167 20.281 16.419 6.764 1.00 32.80 C ATOM 1687 C SER A 167 20.075 17.649 5.904 1.00 31.43 C ATOM 1688 O SER A 167 20.431 17.679 4.719 1.00 31.06 O ATOM 1689 CB SER A 167 18.952 15.658 6.840 1.00 33.43 C ATOM 1690 OG SER A 167 19.139 14.402 7.439 1.00 36.92 O ATOM 1691 HG SER A 167 19.493 14.524 8.355 1.00 0.00 H ATOM 1692 H SER A 167 20.202 16.501 8.927 1.00 0.00 H ATOM 1693 N ARG A 168 19.452 18.658 6.471 1.00 29.88 N ATOM 1694 CA ARG A 168 19.188 19.848 5.697 1.00 29.35 C ATOM 1695 C ARG A 168 20.510 20.606 5.461 1.00 31.11 C ATOM 1696 O ARG A 168 20.681 21.230 4.410 1.00 30.55 O ATOM 1697 CB ARG A 168 18.129 20.702 6.394 1.00 29.45 C ATOM 1698 CG ARG A 168 16.723 20.070 6.214 1.00 29.31 C ATOM 1699 CD ARG A 168 15.816 20.313 7.389 1.00 30.06 C ATOM 1700 NE ARG A 168 15.936 21.704 7.765 1.00 31.64 N ATOM 1701 CZ ARG A 168 16.104 22.134 9.016 1.00 34.51 C ATOM 1702 NH1 ARG A 168 16.057 21.273 10.053 1.00 35.45 N ATOM 1703 NH2 ARG A 168 16.299 23.444 9.234 1.00 35.11 N ATOM 1704 HE ARG A 168 15.888 22.417 7.009 1.00 0.00 H ATOM 1705 HH12 ARG A 168 16.190 21.621 11.024 1.00 0.00 H ATOM 1706 HH11 ARG A 168 15.888 20.261 9.882 1.00 0.00 H ATOM 1707 HH22 ARG A 168 16.432 23.796 10.204 1.00 0.00 H ATOM 1708 HH21 ARG A 168 16.317 24.107 8.433 1.00 0.00 H ATOM 1709 H ARG A 168 19.153 18.600 7.465 1.00 0.00 H ATOM 1710 N ALA A 169 21.463 20.501 6.379 1.00 32.02 N ATOM 1711 CA ALA A 169 22.800 21.113 6.146 1.00 33.63 C ATOM 1712 C ALA A 169 23.532 20.475 4.958 1.00 32.50 C ATOM 1713 O ALA A 169 24.272 21.154 4.242 1.00 32.60 O ATOM 1714 CB ALA A 169 23.666 21.005 7.386 1.00 36.46 C ATOM 1715 H ALA A 169 21.275 19.989 7.265 1.00 0.00 H ATOM 1716 N ARG A 170 23.353 19.176 4.761 1.00 33.56 N ATOM 1717 CA ARG A 170 23.969 18.480 3.605 1.00 34.74 C ATOM 1718 C ARG A 170 23.454 19.105 2.328 1.00 30.98 C ATOM 1719 O ARG A 170 24.223 19.366 1.406 1.00 31.09 O ATOM 1720 CB ARG A 170 23.654 16.968 3.596 1.00 39.41 C ATOM 1721 CG ARG A 170 24.395 16.158 4.652 1.00 48.54 C ATOM 1722 CD ARG A 170 24.291 14.656 4.402 1.00 55.56 C ATOM 1723 NE ARG A 170 22.936 14.135 4.643 1.00 58.02 N ATOM 1724 CZ ARG A 170 22.496 13.625 5.798 1.00 58.12 C ATOM 1725 NH1 ARG A 170 23.286 13.591 6.860 1.00 62.15 N ATOM 1726 NH2 ARG A 170 21.244 13.170 5.900 1.00 53.36 N ATOM 1727 HE ARG A 170 22.265 14.166 3.849 1.00 0.00 H ATOM 1728 HH12 ARG A 170 22.937 13.193 7.755 1.00 0.00 H ATOM 1729 HH11 ARG A 170 24.255 13.962 6.799 1.00 0.00 H ATOM 1730 HH22 ARG A 170 20.906 12.774 6.800 1.00 0.00 H ATOM 1731 HH21 ARG A 170 20.607 13.212 5.079 1.00 0.00 H ATOM 1732 H ARG A 170 22.769 18.635 5.430 1.00 0.00 H ATOM 1733 N ILE A 171 22.142 19.306 2.265 1.00 28.38 N ATOM 1734 CA ILE A 171 21.519 19.900 1.087 1.00 27.56 C ATOM 1735 C ILE A 171 22.013 21.308 0.871 1.00 28.34 C ATOM 1736 O ILE A 171 22.355 21.682 -0.238 1.00 28.86 O ATOM 1737 CB ILE A 171 19.999 19.873 1.231 1.00 27.76 C ATOM 1738 CG1 ILE A 171 19.520 18.429 1.127 1.00 28.07 C ATOM 1739 CG2 ILE A 171 19.339 20.745 0.204 1.00 28.39 C ATOM 1740 CD1 ILE A 171 18.068 18.228 1.493 1.00 29.76 C ATOM 1741 H ILE A 171 21.546 19.034 3.073 1.00 0.00 H ATOM 1742 N LYS A 172 22.048 22.113 1.931 1.00 29.22 N ATOM 1743 CA LYS A 172 22.516 23.487 1.815 1.00 30.41 C ATOM 1744 C LYS A 172 23.988 23.563 1.390 1.00 31.29 C ATOM 1745 O LYS A 172 24.398 24.471 0.615 1.00 31.95 O ATOM 1746 CB LYS A 172 22.306 24.196 3.160 1.00 31.67 C ATOM 1747 CG LYS A 172 20.842 24.345 3.520 1.00 31.20 C ATOM 1748 CD LYS A 172 20.791 25.148 4.878 1.00 43.88 C ATOM 1749 CE LYS A 172 19.698 24.797 5.825 1.00 52.85 C ATOM 1750 NZ LYS A 172 20.100 24.689 7.324 1.00 46.85 N ATOM 1751 HZ1 LYS A 172 20.826 23.952 7.435 1.00 0.00 H ATOM 1752 HZ2 LYS A 172 20.479 25.602 7.647 1.00 0.00 H ATOM 1753 HZ3 LYS A 172 19.263 24.441 7.889 1.00 0.00 H ATOM 1754 H LYS A 172 21.736 21.755 2.856 1.00 0.00 H ATOM 1755 N THR A 173 24.792 22.630 1.879 1.00 31.62 N ATOM 1756 CA THR A 173 26.201 22.612 1.532 1.00 32.76 C ATOM 1757 C THR A 173 26.355 22.287 0.041 1.00 31.95 C ATOM 1758 O THR A 173 27.164 22.865 -0.638 1.00 32.78 O ATOM 1759 CB THR A 173 26.936 21.591 2.338 1.00 33.62 C ATOM 1760 OG1 THR A 173 26.953 22.036 3.693 1.00 34.88 O ATOM 1761 CG2 THR A 173 28.400 21.436 1.889 1.00 35.03 C ATOM 1762 HG1 THR A 173 26.023 22.129 4.020 1.00 0.00 H ATOM 1763 H THR A 173 24.410 21.904 2.518 1.00 0.00 H ATOM 1764 N ARG A 174 25.550 21.360 -0.432 1.00 30.56 N ATOM 1765 CA ARG A 174 25.582 21.003 -1.840 1.00 30.01 C ATOM 1766 C ARG A 174 25.168 22.208 -2.695 1.00 29.98 C ATOM 1767 O ARG A 174 25.784 22.481 -3.725 1.00 30.58 O ATOM 1768 CB ARG A 174 24.658 19.822 -2.079 1.00 28.83 C ATOM 1769 CG ARG A 174 24.544 19.412 -3.566 1.00 28.48 C ATOM 1770 CD ARG A 174 25.893 19.112 -4.164 1.00 30.77 C ATOM 1771 NE ARG A 174 25.717 18.604 -5.513 1.00 33.98 N ATOM 1772 CZ ARG A 174 26.656 18.588 -6.457 1.00 39.69 C ATOM 1773 NH1 ARG A 174 27.888 19.035 -6.220 1.00 39.36 N ATOM 1774 NH2 ARG A 174 26.347 18.104 -7.657 1.00 43.45 N ATOM 1775 HE ARG A 174 24.782 18.222 -5.762 1.00 0.00 H ATOM 1776 HH12 ARG A 174 28.604 19.012 -6.974 1.00 0.00 H ATOM 1777 HH11 ARG A 174 28.134 19.407 -5.281 1.00 0.00 H ATOM 1778 HH22 ARG A 174 27.065 18.082 -8.409 1.00 0.00 H ATOM 1779 HH21 ARG A 174 25.388 17.748 -7.843 1.00 0.00 H ATOM 1780 H ARG A 174 24.885 20.879 0.207 1.00 0.00 H ATOM 1781 N LEU A 175 24.104 22.916 -2.302 1.00 29.64 N ATOM 1782 CA LEU A 175 23.651 24.077 -3.077 1.00 30.12 C ATOM 1783 C LEU A 175 24.687 25.172 -3.110 1.00 31.84 C ATOM 1784 O LEU A 175 24.896 25.818 -4.148 1.00 32.51 O ATOM 1785 CB LEU A 175 22.325 24.591 -2.510 1.00 30.81 C ATOM 1786 CG LEU A 175 21.170 23.618 -2.727 1.00 31.19 C ATOM 1787 CD1 LEU A 175 19.966 24.103 -1.944 1.00 33.39 C ATOM 1788 CD2 LEU A 175 20.821 23.456 -4.256 1.00 31.20 C ATOM 1789 H LEU A 175 23.593 22.641 -1.439 1.00 0.00 H ATOM 1790 N PHE A 176 25.376 25.359 -1.991 1.00 32.61 N ATOM 1791 CA PHE A 176 26.468 26.309 -1.913 1.00 34.71 C ATOM 1792 C PHE A 176 27.596 25.913 -2.871 1.00 34.84 C ATOM 1793 O PHE A 176 28.203 26.741 -3.529 1.00 36.34 O ATOM 1794 CB PHE A 176 26.989 26.393 -0.471 1.00 39.52 C ATOM 1795 CG PHE A 176 28.202 27.248 -0.339 1.00 51.02 C ATOM 1796 CD1 PHE A 176 28.083 28.629 -0.218 1.00 58.01 C ATOM 1797 CD2 PHE A 176 29.469 26.688 -0.395 1.00 55.56 C ATOM 1798 CE1 PHE A 176 29.215 29.439 -0.133 1.00 62.78 C ATOM 1799 CE2 PHE A 176 30.600 27.496 -0.330 1.00 60.23 C ATOM 1800 CZ PHE A 176 30.467 28.870 -0.193 1.00 63.08 C ATOM 1801 H PHE A 176 25.125 24.808 -1.146 1.00 0.00 H ATOM 1802 N THR A 177 27.887 24.623 -2.925 1.00 33.98 N ATOM 1803 CA THR A 177 28.967 24.094 -3.776 1.00 34.58 C ATOM 1804 C THR A 177 28.633 24.313 -5.257 1.00 34.27 C ATOM 1805 O THR A 177 29.492 24.665 -6.055 1.00 35.45 O ATOM 1806 CB THR A 177 29.184 22.588 -3.472 1.00 41.39 C ATOM 1807 OG1 THR A 177 29.698 22.461 -2.128 1.00 39.77 O ATOM 1808 CG2 THR A 177 30.184 21.959 -4.418 1.00 47.34 C ATOM 1809 HG1 THR A 177 29.046 22.845 -1.489 1.00 0.00 H ATOM 1810 H THR A 177 27.334 23.959 -2.346 1.00 0.00 H ATOM 1811 N ILE A 178 27.374 24.078 -5.601 1.00 32.91 N ATOM 1812 CA ILE A 178 26.913 24.275 -6.986 1.00 32.88 C ATOM 1813 C ILE A 178 27.040 25.735 -7.360 1.00 34.33 C ATOM 1814 O ILE A 178 27.631 26.081 -8.386 1.00 35.44 O ATOM 1815 CB ILE A 178 25.464 23.819 -7.153 1.00 31.51 C ATOM 1816 CG1 ILE A 178 25.374 22.299 -7.073 1.00 30.47 C ATOM 1817 CG2 ILE A 178 24.872 24.313 -8.512 1.00 32.67 C ATOM 1818 CD1 ILE A 178 23.952 21.751 -6.946 1.00 29.23 C ATOM 1819 H ILE A 178 26.700 23.749 -4.880 1.00 0.00 H ATOM 1820 N ARG A 179 26.526 26.618 -6.504 1.00 34.67 N ATOM 1821 CA ARG A 179 26.628 28.046 -6.764 1.00 36.53 C ATOM 1822 C ARG A 179 28.079 28.517 -6.934 1.00 38.24 C ATOM 1823 O ARG A 179 28.408 29.302 -7.830 1.00 39.80 O ATOM 1824 CB ARG A 179 25.990 28.798 -5.625 1.00 36.96 C ATOM 1825 CG ARG A 179 26.232 30.300 -5.610 1.00 45.43 C ATOM 1826 CD ARG A 179 25.245 30.931 -4.645 1.00 58.32 C ATOM 1827 NE ARG A 179 25.443 32.364 -4.567 1.00 76.03 N ATOM 1828 CZ ARG A 179 26.377 32.931 -3.819 1.00 91.40 C ATOM 1829 NH1 ARG A 179 27.173 32.180 -3.062 1.00 93.68 N ATOM 1830 NH2 ARG A 179 26.498 34.249 -3.819 1.00101.05 N ATOM 1831 HE ARG A 179 24.819 32.979 -5.127 1.00 0.00 H ATOM 1832 HH12 ARG A 179 27.906 32.627 -2.475 1.00 0.00 H ATOM 1833 HH11 ARG A 179 27.062 31.146 -3.057 1.00 0.00 H ATOM 1834 HH22 ARG A 179 27.228 34.704 -3.235 1.00 0.00 H ATOM 1835 HH21 ARG A 179 25.863 34.830 -4.403 1.00 0.00 H ATOM 1836 H ARG A 179 26.048 26.283 -5.643 1.00 0.00 H ATOM 1837 N GLN A 180 28.943 28.037 -6.041 1.00 38.24 N ATOM 1838 CA GLN A 180 30.335 28.471 -6.072 1.00 40.14 C ATOM 1839 C GLN A 180 31.041 27.990 -7.329 1.00 40.43 C ATOM 1840 O GLN A 180 31.853 28.737 -7.912 1.00 42.32 O ATOM 1841 CB GLN A 180 31.100 27.982 -4.847 1.00 48.53 C ATOM 1842 CG GLN A 180 30.711 28.722 -3.568 1.00 67.77 C ATOM 1843 CD GLN A 180 30.860 30.229 -3.692 1.00 88.04 C ATOM 1844 OE1 GLN A 180 31.792 30.727 -4.328 1.00 96.99 O ATOM 1845 NE2 GLN A 180 29.917 30.962 -3.112 1.00 94.09 N ATOM 1846 HE22 GLN A 180 29.149 30.499 -2.585 1.00 0.00 H ATOM 1847 HE21 GLN A 180 29.946 31.999 -3.184 1.00 0.00 H ATOM 1848 H GLN A 180 28.626 27.354 -5.323 1.00 0.00 H ATOM 1849 N GLU A 181 30.770 26.753 -7.729 1.00 38.86 N ATOM 1850 CA GLU A 181 31.387 26.200 -8.923 1.00 39.37 C ATOM 1851 C GLU A 181 30.854 26.903 -10.185 1.00 39.98 C ATOM 1852 O GLU A 181 31.630 27.274 -11.078 1.00 41.50 O ATOM 1853 CB GLU A 181 31.149 24.693 -9.006 1.00 40.03 C ATOM 1854 CG GLU A 181 31.830 24.019 -10.221 1.00 44.22 C ATOM 1855 CD GLU A 181 33.337 24.192 -10.211 1.00 49.23 C ATOM 1856 OE1 GLU A 181 33.933 24.329 -9.116 1.00 52.17 O ATOM 1857 OE2 GLU A 181 33.932 24.215 -11.298 1.00 50.39 O ATOM 1858 H GLU A 181 30.106 26.171 -7.179 1.00 0.00 H ATOM 1859 N MET A 182 29.545 27.132 -10.250 1.00 38.91 N ATOM 1860 CA MET A 182 28.990 27.926 -11.378 1.00 40.00 C ATOM 1861 C MET A 182 29.677 29.291 -11.433 1.00 42.36 C ATOM 1862 O MET A 182 30.007 29.809 -12.517 1.00 44.07 O ATOM 1863 CB MET A 182 27.494 28.144 -11.223 1.00 39.92 C ATOM 1864 CG MET A 182 26.610 26.929 -11.476 1.00 39.52 C ATOM 1865 SD MET A 182 24.885 27.483 -11.480 1.00 37.14 S ATOM 1866 CE MET A 182 24.042 25.928 -11.766 1.00 39.28 C ATOM 1867 H MET A 182 28.912 26.757 -9.515 1.00 0.00 H ATOM 1868 N ALA A 183 29.845 29.906 -10.263 1.00 42.75 N ATOM 1869 CA ALA A 183 30.469 31.233 -10.182 1.00 45.32 C ATOM 1870 C ALA A 183 31.899 31.169 -10.699 1.00 46.75 C ATOM 1871 O ALA A 183 32.328 32.060 -11.444 1.00 49.02 O ATOM 1872 CB ALA A 183 30.433 31.778 -8.732 1.00 45.66 C ATOM 1873 H ALA A 183 29.528 29.437 -9.390 1.00 0.00 H ATOM 1874 N SER A 184 32.665 30.137 -10.348 1.00 45.83 N ATOM 1875 CA SER A 184 34.054 30.085 -10.872 1.00 47.57 C ATOM 1876 C SER A 184 34.093 29.910 -12.379 1.00 48.12 C ATOM 1877 O SER A 184 35.083 30.266 -13.007 1.00 50.18 O ATOM 1878 CB SER A 184 34.857 28.966 -10.224 1.00 46.91 C ATOM 1879 OG SER A 184 34.329 27.706 -10.553 1.00 48.66 O ATOM 1880 HG SER A 184 33.393 27.649 -10.236 1.00 0.00 H ATOM 1881 H SER A 184 32.301 29.389 -9.724 1.00 0.00 H ATOM 1882 N ARG A 185 33.019 29.377 -12.949 1.00 46.56 N ATOM 1883 CA ARG A 185 32.937 29.212 -14.409 1.00 47.33 C ATOM 1884 C ARG A 185 32.185 30.375 -15.097 1.00 48.80 C ATOM 1885 O ARG A 185 31.894 30.317 -16.302 1.00 49.62 O ATOM 1886 CB ARG A 185 32.254 27.871 -14.742 1.00 45.30 C ATOM 1887 CG ARG A 185 33.009 26.665 -14.196 1.00 44.42 C ATOM 1888 CD ARG A 185 32.208 25.419 -14.379 1.00 42.64 C ATOM 1889 NE ARG A 185 32.793 24.212 -13.780 1.00 42.34 N ATOM 1890 CZ ARG A 185 32.904 23.041 -14.421 1.00 43.29 C ATOM 1891 NH1 ARG A 185 32.505 22.898 -15.697 1.00 42.68 N ATOM 1892 NH2 ARG A 185 33.431 21.998 -13.794 1.00 45.45 N ATOM 1893 HE ARG A 185 33.141 24.270 -12.802 1.00 0.00 H ATOM 1894 HH12 ARG A 185 32.602 21.978 -16.172 1.00 0.00 H ATOM 1895 HH11 ARG A 185 32.099 23.707 -16.209 1.00 0.00 H ATOM 1896 HH22 ARG A 185 33.520 21.086 -14.286 1.00 0.00 H ATOM 1897 HH21 ARG A 185 33.755 22.092 -12.810 1.00 0.00 H ATOM 1898 H ARG A 185 32.223 29.071 -12.354 1.00 0.00 H ATOM 1899 N SER A 186 31.871 31.404 -14.315 1.00 49.45 N ATOM 1900 CA SER A 186 31.116 32.574 -14.741 1.00 51.24 C ATOM 1901 C SER A 186 29.718 32.239 -15.332 1.00 50.25 C ATOM 1902 O SER A 186 29.263 32.878 -16.286 1.00 52.20 O ATOM 1903 CB SER A 186 31.960 33.387 -15.742 1.00 54.34 C ATOM 1904 OG SER A 186 33.163 33.799 -15.080 1.00 55.53 O ATOM 1905 HG SER A 186 33.720 34.324 -15.708 1.00 0.00 H ATOM 1906 H SER A 186 32.188 31.370 -13.325 1.00 0.00 H ATOM 1907 N LEU A 187 29.036 31.289 -14.695 1.00 47.55 N ATOM 1908 CA LEU A 187 27.686 30.866 -15.076 1.00 46.51 C ATOM 1909 C LEU A 187 26.588 31.325 -14.128 1.00 45.92 C ATOM 1910 O LEU A 187 25.415 31.238 -14.467 1.00 45.76 O ATOM 1911 CB LEU A 187 27.613 29.346 -15.136 1.00 44.14 C ATOM 1912 CG LEU A 187 28.464 28.744 -16.234 1.00 44.92 C ATOM 1913 CD1 LEU A 187 28.654 27.288 -15.962 1.00 42.91 C ATOM 1914 CD2 LEU A 187 27.813 28.966 -17.624 1.00 46.56 C ATOM 1915 H LEU A 187 29.486 30.822 -13.882 1.00 0.00 H ATOM 1916 N TRP A 188 26.963 31.768 -12.927 1.00 45.80 N ATOM 1917 CA TRP A 188 25.985 31.992 -11.865 1.00 45.01 C ATOM 1918 C TRP A 188 25.037 33.176 -12.069 1.00 47.28 C ATOM 1919 O TRP A 188 23.837 33.024 -11.894 1.00 46.63 O ATOM 1920 CB TRP A 188 26.692 32.181 -10.510 1.00 44.74 C ATOM 1921 CG TRP A 188 25.723 32.589 -9.444 1.00 44.55 C ATOM 1922 CD1 TRP A 188 25.616 33.827 -8.847 1.00 49.71 C ATOM 1923 CD2 TRP A 188 24.711 31.775 -8.860 1.00 42.33 C ATOM 1924 NE1 TRP A 188 24.598 33.809 -7.922 1.00 50.68 N ATOM 1925 CE2 TRP A 188 24.026 32.565 -7.917 1.00 45.54 C ATOM 1926 CE3 TRP A 188 24.319 30.444 -9.033 1.00 39.87 C ATOM 1927 CZ2 TRP A 188 22.980 32.066 -7.150 1.00 43.58 C ATOM 1928 CZ3 TRP A 188 23.289 29.961 -8.297 1.00 38.40 C ATOM 1929 CH2 TRP A 188 22.614 30.763 -7.362 1.00 40.05 C ATOM 1930 HE1 TRP A 188 24.310 34.610 -7.324 1.00 0.00 H ATOM 1931 H TRP A 188 27.969 31.957 -12.743 1.00 0.00 H ATOM 1932 N ASP A 189 25.572 34.361 -12.357 1.00 53.52 N ATOM 1933 CA ASP A 189 24.734 35.550 -12.468 1.00 63.64 C ATOM 1934 C ASP A 189 23.562 35.279 -13.399 1.00 61.02 C ATOM 1935 O ASP A 189 22.407 35.536 -13.051 1.00 60.91 O ATOM 1936 CB ASP A 189 25.552 36.739 -12.968 1.00 77.48 C ATOM 1937 CG ASP A 189 26.577 37.194 -11.963 1.00 89.01 C ATOM 1938 OD1 ASP A 189 26.369 36.960 -10.755 1.00 89.35 O ATOM 1939 OD2 ASP A 189 27.601 37.770 -12.377 1.00 97.46 O ATOM 1940 H ASP A 189 26.598 34.440 -12.504 1.00 0.00 H ATOM 1941 N SER A 190 23.869 34.738 -14.574 1.00 54.15 N ATOM 1942 CA SER A 190 22.854 34.411 -15.542 1.00 53.43 C ATOM 1943 C SER A 190 21.895 33.380 -15.002 1.00 50.58 C ATOM 1944 O SER A 190 20.686 33.506 -15.146 1.00 51.34 O ATOM 1945 CB SER A 190 23.495 33.890 -16.832 1.00 58.62 C ATOM 1946 OG SER A 190 22.491 33.377 -17.693 1.00 67.37 O ATOM 1947 HG SER A 190 22.911 33.042 -18.525 1.00 0.00 H ATOM 1948 H SER A 190 24.866 34.546 -14.800 1.00 0.00 H ATOM 1949 N PHE A 191 22.447 32.330 -14.414 1.00 47.58 N ATOM 1950 CA PHE A 191 21.634 31.247 -13.904 1.00 44.95 C ATOM 1951 C PHE A 191 20.660 31.809 -12.859 1.00 45.13 C ATOM 1952 O PHE A 191 19.458 31.483 -12.872 1.00 44.78 O ATOM 1953 CB PHE A 191 22.517 30.137 -13.331 1.00 42.28 C ATOM 1954 CG PHE A 191 21.733 29.033 -12.653 1.00 39.77 C ATOM 1955 CD1 PHE A 191 20.970 28.147 -13.393 1.00 39.16 C ATOM 1956 CD2 PHE A 191 21.720 28.926 -11.276 1.00 38.39 C ATOM 1957 CE1 PHE A 191 20.236 27.149 -12.776 1.00 37.15 C ATOM 1958 CE2 PHE A 191 20.982 27.936 -10.628 1.00 36.34 C ATOM 1959 CZ PHE A 191 20.231 27.044 -11.371 1.00 35.70 C ATOM 1960 H PHE A 191 23.481 32.283 -14.317 1.00 0.00 H ATOM 1961 N ARG A 192 21.169 32.653 -11.956 1.00 48.18 N ATOM 1962 CA ARG A 192 20.328 33.240 -10.909 1.00 47.28 C ATOM 1963 C ARG A 192 19.249 34.125 -11.517 1.00 52.38 C ATOM 1964 O ARG A 192 18.070 34.040 -11.149 1.00 55.29 O ATOM 1965 CB ARG A 192 21.165 34.067 -9.917 1.00 49.89 C ATOM 1966 CG ARG A 192 20.337 34.760 -8.818 1.00 55.53 C ATOM 1967 CD ARG A 192 21.198 35.611 -7.889 1.00 61.56 C ATOM 1968 NE ARG A 192 21.970 36.555 -8.675 1.00 68.27 N ATOM 1969 CZ ARG A 192 21.466 37.636 -9.252 1.00 74.75 C ATOM 1970 NH1 ARG A 192 20.171 37.919 -9.132 1.00 78.02 N ATOM 1971 NH2 ARG A 192 22.260 38.425 -9.963 1.00 77.46 N ATOM 1972 HE ARG A 192 22.987 36.371 -8.793 1.00 0.00 H ATOM 1973 HH12 ARG A 192 19.780 38.769 -9.587 1.00 0.00 H ATOM 1974 HH11 ARG A 192 19.550 37.290 -8.583 1.00 0.00 H ATOM 1975 HH22 ARG A 192 21.874 39.276 -10.420 1.00 0.00 H ATOM 1976 HH21 ARG A 192 23.269 38.193 -10.064 1.00 0.00 H ATOM 1977 H ARG A 192 22.179 32.897 -11.997 1.00 0.00 H ATOM 1978 N GLN A 193 19.636 34.940 -12.482 1.00 56.63 N ATOM 1979 CA GLN A 193 18.711 35.940 -13.015 1.00 63.61 C ATOM 1980 C GLN A 193 17.620 35.323 -13.888 1.00 63.58 C ATOM 1981 O GLN A 193 16.566 35.926 -14.089 1.00 65.02 O ATOM 1982 CB GLN A 193 19.492 37.012 -13.784 1.00 72.59 C ATOM 1983 CG GLN A 193 20.373 37.853 -12.848 1.00 81.15 C ATOM 1984 CD GLN A 193 21.193 38.922 -13.562 1.00 91.53 C ATOM 1985 OE1 GLN A 193 20.766 39.487 -14.570 1.00 96.39 O ATOM 1986 NE2 GLN A 193 22.389 39.190 -13.041 1.00 94.17 N ATOM 1987 HE22 GLN A 193 22.709 38.688 -12.188 1.00 0.00 H ATOM 1988 HE21 GLN A 193 23.003 39.901 -13.487 1.00 0.00 H ATOM 1989 H GLN A 193 20.601 34.870 -12.864 1.00 0.00 H ATOM 1990 N SER A 194 17.866 34.114 -14.373 1.00 62.09 N ATOM 1991 CA SER A 194 16.972 33.461 -15.311 1.00 63.27 C ATOM 1992 C SER A 194 15.743 32.849 -14.649 1.00 62.18 C ATOM 1993 O SER A 194 14.846 32.384 -15.341 1.00 64.73 O ATOM 1994 CB SER A 194 17.717 32.374 -16.072 1.00 63.19 C ATOM 1995 OG SER A 194 17.950 31.266 -15.217 1.00 62.83 O ATOM 1996 HG SER A 194 18.494 31.557 -14.443 1.00 0.00 H ATOM 1997 H SER A 194 18.728 33.617 -14.071 1.00 0.00 H ATOM 1998 N GLU A 195 15.707 32.778 -13.324 1.00 59.11 N ATOM 1999 CA GLU A 195 14.520 32.222 -12.663 1.00 58.32 C ATOM 2000 C GLU A 195 13.300 33.152 -12.787 1.00 63.17 C ATOM 2001 O GLU A 195 13.362 34.330 -12.419 1.00 66.85 O ATOM 2002 CB GLU A 195 14.804 31.923 -11.187 1.00 56.10 C ATOM 2003 CG GLU A 195 13.609 31.281 -10.463 1.00 57.81 C ATOM 2004 CD GLU A 195 13.949 30.748 -9.072 1.00 59.28 C ATOM 2005 OE1 GLU A 195 15.023 30.140 -8.898 1.00 56.39 O ATOM 2006 OE2 GLU A 195 13.148 30.964 -8.142 1.00 63.79 O ATOM 2007 H GLU A 195 16.513 33.113 -12.759 1.00 0.00 H TER 2008 GLU A 195 HETATM 2009 MN MN A 1 9.502 20.525 -6.619 1.00 29.52 MN HETATM 2010 MN MN A 2 8.211 17.926 -8.948 1.00 45.65 MN HETATM 2011 O HOH 3 28.014 33.048 -18.358 1.00 40.03 O HETATM 2012 O HOH 4 9.679 4.880 -17.129 1.00 65.36 O HETATM 2013 O HOH 5 9.965 28.668 9.571 1.00 56.24 O HETATM 2014 O HOH 6 23.708 26.879 0.798 1.00 57.45 O HETATM 2015 O HOH 7 23.014 34.130 -20.090 1.00 36.29 O HETATM 2016 O HOH 8 9.433 -5.014 12.590 1.00 39.10 O HETATM 2017 O HOH 9 5.298 14.300 -23.833 1.00 51.11 O HETATM 2018 O HOH 10 8.480 17.201 11.308 1.00 43.05 O HETATM 2019 O HOH 11 4.933 17.045 11.944 1.00 41.77 O HETATM 2020 O HOH 12 33.266 30.688 -6.906 1.00 44.60 O HETATM 2021 O HOH 13 9.741 14.436 10.706 1.00 35.47 O HETATM 2022 O HOH 14 20.229 22.571 8.922 1.00 43.68 O HETATM 2023 O HOH 15 23.280 22.383 -22.171 1.00 60.31 O HETATM 2024 O HOH 16 14.420 -6.130 15.827 1.00 71.81 O HETATM 2025 O HOH 17 10.028 5.808 -4.448 1.00 40.16 O HETATM 2026 O HOH 18 34.042 25.734 -6.776 1.00 49.07 O HETATM 2027 O HOH 19 17.239 0.000 0.000 1.00 55.90 O HETATM 2028 O HOH 20 33.107 24.840 -20.098 1.00 37.99 O HETATM 2029 O HOH 21 18.019 25.682 10.819 1.00 32.62 O HETATM 2030 O HOH 22 16.120 7.288 -1.067 1.00 58.08 O HETATM 2031 O HOH 23 35.143 28.526 -17.062 1.00 44.21 O HETATM 2032 O HOH 24 25.424 17.522 7.481 1.00 50.13 O HETATM 2033 O HOH 25 24.488 30.484 -16.981 1.00 37.12 O HETATM 2034 O HOH 26 7.678 23.074 13.990 1.00 50.68 O HETATM 2035 O HOH 27 17.982 32.705 -23.504 1.00 59.10 O HETATM 2036 O HOH 28 31.685 24.886 -17.594 1.00 34.88 O HETATM 2037 O HOH 29 5.206 23.109 13.314 1.00 50.93 O HETATM 2038 O HOH 30 19.626 26.778 9.182 1.00 40.08 O HETATM 2039 O HOH 31 17.503 9.114 -2.371 1.00 48.18 O HETATM 2040 O HOH 32 13.886 28.636 8.943 1.00 54.53 O HETATM 2041 O HOH 33 1.200 15.228 -14.812 1.00 47.06 O HETATM 2042 O HOH 34 15.145 19.837 12.731 1.00 43.61 O HETATM 2043 O HOH 35 35.107 21.399 -19.673 1.00 46.68 O HETATM 2044 O HOH 36 12.281 7.513 -14.718 1.00 59.18 O HETATM 2045 O HOH 37 18.948 22.168 -30.721 1.00 66.51 O HETATM 2046 O HOH 38 20.542 9.343 -3.984 1.00 63.95 O HETATM 2047 O HOH 39 9.886 6.462 -14.928 1.00 37.24 O HETATM 2048 O HOH 40 1.410 17.222 -12.436 1.00 41.31 O HETATM 2049 O HOH 41 19.152 7.442 -14.637 1.00 62.96 O HETATM 2050 O HOH 42 18.614 18.543 14.518 1.00 35.16 O HETATM 2051 O HOH 43 15.582 29.192 7.571 1.00 40.95 O HETATM 2052 O HOH 44 26.929 19.511 5.691 1.00 55.87 O HETATM 2053 O HOH 45 5.602 4.067 -18.587 1.00 67.19 O HETATM 2054 O HOH 46 28.138 35.688 -18.329 1.00 49.88 O HETATM 2055 O HOH 47 34.311 32.863 -8.376 1.00 62.71 O HETATM 2056 O HOH 48 9.357 11.566 -23.902 1.00 52.73 O HETATM 2057 O HOH 49 7.283 -2.557 17.727 1.00 65.60 O HETATM 2058 O HOH 50 2.937 21.903 12.866 1.00 58.87 O HETATM 2059 O HOH 51 32.814 25.664 -3.089 1.00 56.68 O HETATM 2060 O HOH 52 29.354 25.220 2.998 1.00 62.60 O HETATM 2061 O HOH 53 13.822 7.353 2.144 1.00 36.97 O HETATM 2062 O HOH 54 9.334 20.269 5.747 1.00 28.62 O HETATM 2063 O HOH 55 11.973 24.214 -7.401 1.00 37.75 O HETATM 2064 O HOH 56 7.243 15.720 5.631 1.00 32.28 O HETATM 2065 O HOH 57 14.008 24.626 -8.718 1.00 46.34 O HETATM 2066 O HOH 58 -0.304 15.026 1.760 1.00 37.49 O HETATM 2067 O HOH 59 13.169 13.544 10.546 1.00 37.42 O HETATM 2068 O HOH 60 29.201 18.533 -3.684 1.00 40.30 O HETATM 2069 O HOH 61 12.414 16.635 -12.959 1.00 31.17 O HETATM 2070 O HOH 62 16.386 24.242 -9.195 1.00 35.65 O HETATM 2071 O HOH 63 3.279 20.242 -6.112 1.00 42.94 O HETATM 2072 O HOH 64 16.987 27.755 -19.618 1.00 39.09 O HETATM 2073 O HOH 65 1.300 18.655 -5.343 1.00 41.21 O HETATM 2074 O HOH 66 26.586 18.249 0.982 1.00 35.51 O HETATM 2075 O HOH 67 24.937 14.506 -8.326 1.00 35.49 O HETATM 2076 O HOH 68 23.935 10.934 -17.921 1.00 42.54 O HETATM 2077 O HOH 69 13.339 14.431 -13.797 1.00 46.30 O HETATM 2078 O HOH 70 1.355 19.842 5.920 1.00 51.43 O HETATM 2079 O HOH 71 13.920 18.174 -11.046 1.00 25.77 O HETATM 2080 O HOH 72 18.852 13.186 4.116 1.00 39.50 O HETATM 2081 O HOH 73 7.364 15.934 -9.243 1.00 26.59 O HETATM 2082 O HOH 74 7.386 18.423 -10.858 1.00 29.25 O HETATM 2083 O HOH 75 16.522 26.700 -8.738 1.00 45.25 O HETATM 2084 O HOH 76 27.173 13.373 -15.399 1.00 37.82 O HETATM 2085 O HOH 77 26.267 12.344 -17.667 1.00 51.20 O HETATM 2086 O HOH 78 18.614 26.432 1.603 1.00 41.80 O HETATM 2087 O HOH 79 6.506 21.703 -9.016 1.00 41.63 O HETATM 2088 O HOH 80 25.972 14.540 7.282 1.00 55.43 O HETATM 2089 O HOH 81 28.066 17.689 3.401 1.00 45.69 O HETATM 2090 O HOH 82 28.267 17.509 -23.471 1.00 57.14 O HETATM 2091 O HOH 83 1.517 7.120 5.509 1.00 48.13 O HETATM 2092 O HOH 84 4.367 18.628 -10.585 1.00 41.55 O HETATM 2093 O HOH 85 32.200 24.358 -5.373 1.00 48.63 O HETATM 2094 O HOH 86 11.425 11.653 -22.122 1.00 51.41 O HETATM 2095 O HOH 87 30.333 18.235 -21.705 1.00 60.27 O HETATM 2096 O HOH 88 28.780 19.427 -1.332 1.00 44.01 O HETATM 2097 O HOH 89 14.732 17.152 -25.399 1.00 48.40 O HETATM 2098 O HOH 90 16.205 15.661 -23.561 1.00 51.30 O HETATM 2099 O HOH 91 3.075 20.467 10.414 1.00 48.68 O HETATM 2100 O HOH 92 28.873 34.302 -12.622 1.00 34.35 O HETATM 2101 O HOH 93 3.802 21.180 -8.820 1.00 56.84 O HETATM 2102 O HOH 94 -1.051 13.911 4.370 1.00 52.56 O HETATM 2103 O HOH 95 0.877 26.977 3.417 1.00 66.24 O HETATM 2104 O HOH 96 22.913 11.667 -20.108 1.00 59.33 O HETATM 2105 O HOH 97 28.744 35.931 -9.849 1.00 65.90 O HETATM 2106 O HOH 98 1.124 17.562 8.105 1.00 52.85 O HETATM 2107 O HOH 99 13.738 24.043 -25.672 1.00 46.92 O HETATM 2108 O HOH 100 7.190 15.074 -11.689 1.00 38.55 O HETATM 2109 O HOH 101 7.749 12.541 -11.855 1.00 37.12 O HETATM 2110 O HOH 102 9.471 25.191 -9.997 1.00 59.07 O HETATM 2111 O HOH 103 0.975 20.075 9.015 1.00 65.02 O HETATM 2112 O HOH 104 -0.421 11.750 10.394 1.00 57.30 O HETATM 2113 O HOH 105 -2.776 3.803 -10.878 1.00 44.37 O HETATM 2114 O HOH 106 -1.467 2.898 -8.977 1.00 49.68 O HETATM 2115 O HOH 107 6.369 18.584 -7.928 1.00 28.70 O HETATM 2116 O HOH 108 11.041 19.397 -14.127 1.00 35.95 O HETATM 2117 O HOH 109 -1.810 15.953 -0.668 1.00 67.61 O HETATM 2118 O HOH 110 5.330 16.688 -13.278 1.00 77.15 O HETATM 2119 O HOH 111 -0.245 17.207 5.650 1.00 58.96 O HETATM 2120 O HOH 112 21.623 11.105 -5.903 1.00 71.75 O HETATM 2121 O HOH 113 16.882 13.230 -24.449 1.00 67.13 O HETATM 2122 O HOH 114 19.050 5.747 1.275 1.00 59.97 O HETATM 2123 O HOH 115 22.945 12.543 0.362 1.00 39.24 O HETATM 2124 O HOH 116 30.720 18.533 2.620 1.00 56.59 O HETATM 2125 O HOH 117 21.874 13.625 1.900 1.00 39.43 O HETATM 2126 O HOH 118 20.776 15.084 3.082 1.00 52.44 O HETATM 2127 O HOH 119 22.440 12.843 -24.004 1.00 62.44 O HETATM 2128 O HOH 120 9.040 2.654 1.699 1.00 49.07 O HETATM 2129 O HOH 121 -3.136 19.296 -4.589 1.00 59.47 O HETATM 2130 O HOH 122 10.571 13.642 -13.967 1.00 48.89 O HETATM 2131 O HOH 123 30.491 20.034 -8.058 1.00 51.92 O HETATM 2132 O HOH 124 34.066 34.656 -11.819 1.00 66.23 O HETATM 2133 O HOH 125 4.333 11.340 12.796 1.00 64.43 O HETATM 2134 O HOH 126 32.128 19.437 -10.239 1.00 48.19 O HETATM 2135 O HOH 127 32.304 17.431 -20.052 1.00 58.90 O HETATM 2136 O HOH 128 27.159 12.137 -19.722 1.00 64.99 O HETATM 2137 O HOH 129 30.798 39.172 -10.382 1.00 67.65 O HETATM 2138 O HOH 130 31.243 19.237 0.028 1.00 66.18 O HETATM 2139 O HOH 131 30.480 38.588 -8.289 1.00 67.78 O HETATM 2140 O HOH 132 2.474 27.569 6.884 1.00 50.47 O HETATM 2141 O HOH 133 23.816 11.623 -22.622 1.00 79.52 O HETATM 2142 O HOH 134 28.356 33.876 -5.958 1.00 67.10 O HETATM 2143 O HOH 135 8.695 16.842 -12.824 1.00 46.34 O HETATM 2144 O HOH 136 22.901 18.171 -22.912 1.00 75.89 O HETATM 2145 O HOH 137 15.753 13.118 10.700 1.00 64.84 O HETATM 2146 O HOH 138 2.252 3.200 -0.319 1.00 60.01 O HETATM 2147 O HOH 139 21.779 11.718 -3.672 1.00 61.71 O HETATM 2148 O HOH 140 26.351 34.380 -15.518 1.00 50.17 O HETATM 2149 O HOH 141 33.061 21.738 -5.857 1.00 68.83 O HETATM 2150 O HOH 142 22.722 10.210 -7.595 1.00 75.12 O HETATM 2151 O HOH 143 -0.180 25.988 5.802 1.00 74.56 O HETATM 2152 O HOH 144 24.853 13.121 1.563 1.00 72.16 O HETATM 2153 O HOH 145 26.587 14.991 1.114 1.00 75.97 O HETATM 2154 O HOH 146 15.170 23.156 -29.995 1.00 68.13 O HETATM 2155 O HOH 147 3.012 5.000 6.612 1.00 64.84 O HETATM 2156 O HOH 148 -0.524 22.280 6.493 1.00 71.89 O HETATM 2157 O HOH 149 -1.571 19.453 -6.010 1.00 71.17 O HETATM 2158 O HOH 150 23.741 13.313 -4.800 1.00 70.44 O HETATM 2159 O HOH 151 3.756 6.471 9.953 1.00 63.72 O HETATM 2160 O HOH 152 14.407 28.374 -20.453 1.00 65.63 O HETATM 2161 O HOH 153 15.122 10.393 11.649 1.00 58.94 O HETATM 2162 O HOH 154 -3.646 13.722 4.960 1.00 65.69 O HETATM 2163 O HOH 155 10.392 20.321 -17.370 1.00 62.95 O HETATM 2164 O01 UNN A 156 9.012 19.774 -8.583 1.00 -0.34 O HETATM 2165 C02 UNN A 156 9.697 20.583 -9.468 1.00 0.15 C HETATM 2166 C03 UNN A 156 10.024 20.143 -10.721 1.00 0.08 C HETATM 2167 N04 UNN A 156 10.707 20.952 -11.571 1.00 -0.24 N HETATM 2168 C05 UNN A 156 11.074 22.163 -11.114 1.00 0.16 C HETATM 2169 C06 UNN A 156 11.787 23.148 -11.988 1.00 0.05 C HETATM 2170 C07 UNN A 156 12.458 24.219 -11.405 1.00 -0.04 C HETATM 2171 C08 UNN A 156 13.061 25.166 -12.232 1.00 -0.04 C HETATM 2172 C09 UNN A 156 12.942 25.043 -13.611 1.00 0.05 C HETATM 2173 C10 UNN A 156 12.255 23.991 -14.185 1.00 -0.04 C HETATM 2174 C11 UNN A 156 11.649 23.043 -13.373 1.00 -0.04 C HETATM 2175 H UNN A 156 11.076 22.232 -13.808 1.00 0.07 H HETATM 2176 H UNN A 156 12.190 23.907 -15.264 1.00 0.07 H HETATM 2177 C12 UNN A 156 13.582 26.081 -14.490 1.00 0.19 C HETATM 2178 N13 UNN A 156 13.241 26.414 -15.744 1.00 -0.20 N HETATM 2179 N14 UNN A 156 14.075 27.398 -16.117 1.00 -0.14 N HETATM 2180 N15 UNN A 156 14.894 27.688 -15.102 1.00 -0.06 N HETATM 2181 N16 UNN A 156 14.561 26.871 -14.091 1.00 -0.15 N HETATM 2182 H UNN A 156 14.997 26.862 -13.158 1.00 0.27 H HETATM 2183 H UNN A 156 13.618 25.991 -11.803 1.00 0.07 H HETATM 2184 H UNN A 156 12.511 24.315 -10.327 1.00 0.07 H HETATM 2185 N17 UNN A 156 10.753 22.634 -9.904 1.00 -0.26 N HETATM 2186 C18 UNN A 156 10.104 21.857 -9.048 1.00 0.17 C HETATM 2187 O19 UNN A 156 9.877 22.281 -7.950 1.00 -0.42 O HETATM 2188 H UNN A 156 10.935 20.650 -12.529 1.00 0.23 H HETATM 2189 H UNN A 156 9.736 19.142 -11.038 1.00 0.10 H HETATM 2190 H UNN A 156 8.173 19.535 -8.959 1.00 0.24 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 431 429 430 2009 CONECT 810 809 2010 CONECT 1080 1079 2010 CONECT 1081 1079 2009 CONECT 1209 1207 2009 CONECT 1214 1213 2009 CONECT 2009 431 1081 1209 1214 CONECT 2010 810 1080 CONECT 2164 2165 2190 CONECT 2165 2164 2166 2186 CONECT 2166 2165 2167 2189 CONECT 2167 2166 2168 2188 CONECT 2168 2167 2169 2185 CONECT 2169 2168 2170 2174 CONECT 2170 2169 2171 2184 CONECT 2171 2170 2172 2183 CONECT 2172 2171 2173 2177 CONECT 2173 2172 2174 2176 CONECT 2174 2169 2173 2175 CONECT 2175 2174 CONECT 2176 2173 CONECT 2177 2172 2178 2181 CONECT 2178 2177 2179 CONECT 2179 2178 2180 CONECT 2180 2179 2181 CONECT 2181 2177 2180 2182 CONECT 2182 2181 CONECT 2183 2171 CONECT 2184 2170 CONECT 2185 2168 2186 CONECT 2186 2165 2185 2187 CONECT 2187 2186 CONECT 2188 2167 CONECT 2189 2166 CONECT 2190 2164 MASTER 0 0 0 0 0 0 0 0 2189 1 39 16 END
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Related entries of code: 4w9s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4avg
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%
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%
6e4c
RCSB PDB
PDBbind
192aa, >6E4C_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
4w9s
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Polymerase acidic protein
Ligand Name
3K1
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=0.15uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 8086-8098
Ligand Properties
Formula
C
1
1
H
8
N
6
O
2
Molecular Weight
256.220
Exact Mass
256.071
No. of atoms
27
No. of bonds
29
Polar Surface Area
120.44
LOGP Value
0.07 (
Computed with XLOGP3
)
0.32 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
Canonical SMILES
O=c1nc([nH]cc1O)c1ccc(cc1)c1nnn[nH]1
InChI String
InChI=1S/C11H8N6O2/c18-8-5-12-9(13-11(8)19)6-1-3-7(4-2-6)10-14-16-17-15-10/h1-5,18H,(H,12,13,19)(H,14,15,16,17)
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):
P13166
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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