Browse entries in the PDBbind-CN Database
HEADER 5MW2_COMPLEX COMPND 5MW2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 122 SER GLN ILE GLN PHE THR ARG HIS ALA SER ASP VAL LEU SEQRES 2 A 122 LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU THR SEQRES 3 A 122 ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG ALA SEQRES 4 A 122 HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE TYR SEQRES 5 A 122 SER ILE PHE THR ASP GLN LEU LYS ARG ASN LEU SER VAL SEQRES 6 A 122 ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE ASN SEQRES 7 A 122 ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN LEU SEQRES 8 A 122 ARG GLU GLY ASN ILE MET ALA VAL MET ALA THR ALA MET SEQRES 9 A 122 TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS ARG LYS SEQRES 10 A 122 PHE ILE LYS ALA SER SEQRES 1 B 122 SER GLN ILE GLN PHE THR ARG HIS ALA SER ASP VAL LEU SEQRES 2 B 122 LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU THR SEQRES 3 B 122 ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG ALA SEQRES 4 B 122 HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE TYR SEQRES 5 B 122 SER ILE PHE THR ASP GLN LEU LYS ARG ASN LEU SER VAL SEQRES 6 B 122 ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE ASN SEQRES 7 B 122 ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN LEU SEQRES 8 B 122 ARG GLU GLY ASN ILE MET ALA VAL MET ALA THR ALA MET SEQRES 9 B 122 TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS ARG LYS SEQRES 10 B 122 PHE ILE LYS ALA SER HET U A 52 63 ATOM 1 N SER A 7 25.335 3.317 36.060 1.00 90.52 N ATOM 2 CA SER A 7 25.688 4.606 35.480 1.00 88.31 C ATOM 3 C SER A 7 24.593 5.642 35.758 1.00 87.91 C ATOM 4 O SER A 7 24.838 6.595 36.499 1.00 87.00 O ATOM 5 CB SER A 7 25.955 4.464 33.983 1.00 92.07 C ATOM 6 OG SER A 7 26.364 5.691 33.401 1.00 99.81 O ATOM 7 HG SER A 7 26.527 5.558 32.434 1.00 0.00 H ATOM 8 HN3 SER A 7 24.442 2.984 35.644 1.00 0.00 H ATOM 9 HN2 SER A 7 25.222 3.420 37.089 1.00 0.00 H ATOM 10 HN1 SER A 7 26.090 2.630 35.860 1.00 0.00 H ATOM 11 N GLN A 8 23.388 5.445 35.178 1.00 81.57 N ATOM 12 CA GLN A 8 22.224 6.325 35.332 1.00 77.68 C ATOM 13 C GLN A 8 20.926 5.516 35.335 1.00 79.63 C ATOM 14 O GLN A 8 20.765 4.607 34.516 1.00 79.87 O ATOM 15 CB GLN A 8 22.179 7.386 34.217 1.00 76.79 C ATOM 16 CG GLN A 8 23.097 8.586 34.453 1.00 93.78 C ATOM 17 CD GLN A 8 23.037 9.612 33.345 1.00112.54 C ATOM 18 OE1 GLN A 8 23.095 9.294 32.150 1.00108.43 O ATOM 19 NE2 GLN A 8 22.970 10.879 33.723 1.00103.62 N ATOM 20 HE22 GLN A 8 22.922 11.118 34.734 1.00 0.00 H ATOM 21 HE21 GLN A 8 22.965 11.635 33.009 1.00 0.00 H ATOM 22 H GLN A 8 23.277 4.604 34.576 1.00 0.00 H ATOM 23 N ILE A 9 20.000 5.855 36.251 1.00 74.09 N ATOM 24 CA ILE A 9 18.699 5.191 36.382 1.00 72.81 C ATOM 25 C ILE A 9 17.736 5.758 35.338 1.00 72.93 C ATOM 26 O ILE A 9 17.523 6.971 35.291 1.00 70.28 O ATOM 27 CB ILE A 9 18.144 5.276 37.835 1.00 76.16 C ATOM 28 CG1 ILE A 9 19.167 4.715 38.847 1.00 79.61 C ATOM 29 CG2 ILE A 9 16.785 4.558 37.962 1.00 76.59 C ATOM 30 CD1 ILE A 9 19.086 5.290 40.215 1.00 86.66 C ATOM 31 H ILE A 9 20.220 6.634 36.904 1.00 0.00 H ATOM 32 N GLN A 10 17.170 4.876 34.499 1.00 69.09 N ATOM 33 CA GLN A 10 16.249 5.257 33.429 1.00 66.32 C ATOM 34 C GLN A 10 14.786 5.218 33.861 1.00 68.17 C ATOM 35 O GLN A 10 14.305 4.191 34.344 1.00 69.19 O ATOM 36 CB GLN A 10 16.472 4.401 32.168 1.00 68.69 C ATOM 37 CG GLN A 10 17.826 4.623 31.497 1.00 87.01 C ATOM 38 CD GLN A 10 17.908 3.961 30.146 1.00108.65 C ATOM 39 OE1 GLN A 10 17.686 4.591 29.107 1.00103.06 O ATOM 40 NE2 GLN A 10 18.243 2.679 30.127 1.00103.61 N ATOM 41 HE22 GLN A 10 18.424 2.176 31.019 1.00 0.00 H ATOM 42 HE21 GLN A 10 18.325 2.176 29.220 1.00 0.00 H ATOM 43 H GLN A 10 17.399 3.868 34.616 1.00 0.00 H ATOM 44 N PHE A 11 14.086 6.350 33.681 1.00 61.76 N ATOM 45 CA PHE A 11 12.665 6.509 33.986 1.00 60.10 C ATOM 46 C PHE A 11 11.917 6.404 32.652 1.00 62.51 C ATOM 47 O PHE A 11 11.930 7.343 31.851 1.00 60.38 O ATOM 48 CB PHE A 11 12.405 7.858 34.686 1.00 60.20 C ATOM 49 CG PHE A 11 12.771 7.942 36.152 1.00 62.81 C ATOM 50 CD1 PHE A 11 14.097 7.842 36.564 1.00 67.19 C ATOM 51 CD2 PHE A 11 11.800 8.196 37.113 1.00 64.63 C ATOM 52 CE1 PHE A 11 14.438 7.953 37.915 1.00 69.28 C ATOM 53 CE2 PHE A 11 12.143 8.308 38.465 1.00 68.67 C ATOM 54 CZ PHE A 11 13.460 8.191 38.855 1.00 68.08 C ATOM 55 H PHE A 11 14.592 7.174 33.297 1.00 0.00 H ATOM 56 N THR A 12 11.328 5.223 32.397 1.00 60.12 N ATOM 57 CA THR A 12 10.624 4.865 31.159 1.00 59.25 C ATOM 58 C THR A 12 9.379 5.707 30.854 1.00 60.90 C ATOM 59 O THR A 12 9.125 5.987 29.681 1.00 59.22 O ATOM 60 CB THR A 12 10.279 3.367 31.143 1.00 69.24 C ATOM 61 OG1 THR A 12 9.633 3.009 32.367 1.00 68.83 O ATOM 62 CG2 THR A 12 11.501 2.485 30.918 1.00 70.28 C ATOM 63 HG1 THR A 12 9.413 2.044 32.353 1.00 0.00 H ATOM 64 H THR A 12 11.375 4.499 33.142 1.00 0.00 H ATOM 65 N ARG A 13 8.603 6.096 31.885 1.00 57.30 N ATOM 66 CA ARG A 13 7.367 6.869 31.696 1.00 55.63 C ATOM 67 C ARG A 13 7.500 8.380 32.003 1.00 57.28 C ATOM 68 O ARG A 13 6.488 9.088 31.975 1.00 55.88 O ATOM 69 CB ARG A 13 6.188 6.244 32.475 1.00 57.67 C ATOM 70 CG ARG A 13 6.445 5.972 33.960 1.00 70.99 C ATOM 71 CD ARG A 13 5.280 5.254 34.627 1.00 83.84 C ATOM 72 NE ARG A 13 5.002 3.945 34.025 1.00 94.61 N ATOM 73 CZ ARG A 13 5.560 2.801 34.411 1.00111.79 C ATOM 74 NH1 ARG A 13 6.438 2.784 35.407 1.00100.23 N ATOM 75 NH2 ARG A 13 5.244 1.665 33.804 1.00100.34 N ATOM 76 HE ARG A 13 4.320 3.909 33.241 1.00 0.00 H ATOM 77 HH12 ARG A 13 6.870 1.886 35.704 1.00 0.00 H ATOM 78 HH11 ARG A 13 6.693 3.669 35.890 1.00 0.00 H ATOM 79 HH22 ARG A 13 5.683 0.773 34.109 1.00 0.00 H ATOM 80 HH21 ARG A 13 4.557 1.666 33.023 1.00 0.00 H ATOM 81 H ARG A 13 8.890 5.839 32.851 1.00 0.00 H ATOM 82 N HIS A 14 8.735 8.878 32.244 1.00 53.10 N ATOM 83 CA HIS A 14 8.990 10.295 32.531 1.00 51.24 C ATOM 84 C HIS A 14 8.640 11.205 31.352 1.00 52.91 C ATOM 85 O HIS A 14 7.920 12.182 31.549 1.00 51.57 O ATOM 86 CB HIS A 14 10.437 10.527 32.999 1.00 52.56 C ATOM 87 CG HIS A 14 10.781 11.971 33.208 1.00 54.84 C ATOM 88 ND1 HIS A 14 10.348 12.662 34.325 1.00 56.63 N ATOM 89 CD2 HIS A 14 11.498 12.811 32.425 1.00 55.69 C ATOM 90 CE1 HIS A 14 10.815 13.892 34.188 1.00 55.23 C ATOM 91 NE2 HIS A 14 11.514 14.028 33.062 1.00 55.01 N ATOM 92 H HIS A 14 9.544 8.224 32.225 1.00 0.00 H ATOM 93 N ALA A 15 9.137 10.876 30.137 1.00 48.87 N ATOM 94 CA ALA A 15 8.901 11.636 28.903 1.00 47.12 C ATOM 95 C ALA A 15 7.416 11.756 28.549 1.00 49.78 C ATOM 96 O ALA A 15 6.992 12.816 28.087 1.00 48.40 O ATOM 97 CB ALA A 15 9.671 11.017 27.748 1.00 48.27 C ATOM 98 H ALA A 15 9.729 10.023 30.073 1.00 0.00 H ATOM 99 N SER A 16 6.632 10.681 28.779 1.00 46.89 N ATOM 100 CA SER A 16 5.188 10.656 28.532 1.00 46.47 C ATOM 101 C SER A 16 4.456 11.528 29.558 1.00 50.15 C ATOM 102 O SER A 16 3.478 12.190 29.206 1.00 49.13 O ATOM 103 CB SER A 16 4.655 9.226 28.558 1.00 51.57 C ATOM 104 OG SER A 16 4.888 8.603 29.810 1.00 63.28 O ATOM 105 HG SER A 16 5.861 8.577 29.988 1.00 0.00 H ATOM 106 H SER A 16 7.079 9.820 29.154 1.00 0.00 H ATOM 107 N ASP A 17 4.952 11.543 30.817 1.00 47.37 N ATOM 108 CA ASP A 17 4.416 12.349 31.917 1.00 47.39 C ATOM 109 C ASP A 17 4.680 13.841 31.690 1.00 50.01 C ATOM 110 O ASP A 17 3.850 14.666 32.076 1.00 49.56 O ATOM 111 CB ASP A 17 4.997 11.892 33.268 1.00 50.50 C ATOM 112 CG ASP A 17 4.344 10.660 33.874 1.00 62.77 C ATOM 113 OD1 ASP A 17 3.809 9.826 33.106 1.00 63.71 O ATOM 114 OD2 ASP A 17 4.393 10.513 35.115 1.00 70.05 O ATOM 115 H ASP A 17 5.774 10.938 31.019 1.00 0.00 H ATOM 116 N VAL A 18 5.831 14.181 31.059 1.00 45.80 N ATOM 117 CA VAL A 18 6.222 15.557 30.723 1.00 44.72 C ATOM 118 C VAL A 18 5.278 16.085 29.633 1.00 48.26 C ATOM 119 O VAL A 18 4.719 17.172 29.790 1.00 47.81 O ATOM 120 CB VAL A 18 7.723 15.671 30.317 1.00 48.34 C ATOM 121 CG1 VAL A 18 8.061 17.062 29.784 1.00 47.33 C ATOM 122 CG2 VAL A 18 8.638 15.320 31.484 1.00 49.26 C ATOM 123 H VAL A 18 6.482 13.415 30.794 1.00 0.00 H ATOM 124 N LEU A 19 5.081 15.291 28.556 1.00 44.76 N ATOM 125 CA LEU A 19 4.208 15.607 27.422 1.00 43.98 C ATOM 126 C LEU A 19 2.750 15.794 27.860 1.00 48.32 C ATOM 127 O LEU A 19 2.074 16.686 27.343 1.00 47.65 O ATOM 128 CB LEU A 19 4.322 14.515 26.343 1.00 44.05 C ATOM 129 CG LEU A 19 3.907 14.902 24.920 1.00 47.98 C ATOM 130 CD1 LEU A 19 4.957 15.773 24.253 1.00 47.45 C ATOM 131 CD2 LEU A 19 3.673 13.670 24.076 1.00 50.99 C ATOM 132 H LEU A 19 5.589 14.384 28.531 1.00 0.00 H ATOM 133 N LEU A 20 2.285 14.972 28.827 1.00 45.78 N ATOM 134 CA LEU A 20 0.935 15.037 29.397 1.00 46.44 C ATOM 135 C LEU A 20 0.754 16.355 30.163 1.00 49.81 C ATOM 136 O LEU A 20 -0.290 16.996 30.031 1.00 50.20 O ATOM 137 CB LEU A 20 0.683 13.830 30.323 1.00 47.93 C ATOM 138 CG LEU A 20 -0.721 13.694 30.925 1.00 54.18 C ATOM 139 CD1 LEU A 20 -1.648 12.914 30.002 1.00 54.89 C ATOM 140 CD2 LEU A 20 -0.662 13.020 32.280 1.00 58.09 C ATOM 141 H LEU A 20 2.930 14.242 29.193 1.00 0.00 H ATOM 142 N ASN A 21 1.779 16.761 30.940 1.00 45.36 N ATOM 143 CA ASN A 21 1.772 18.003 31.711 1.00 45.22 C ATOM 144 C ASN A 21 1.841 19.233 30.812 1.00 47.98 C ATOM 145 O ASN A 21 1.212 20.242 31.130 1.00 48.03 O ATOM 146 CB ASN A 21 2.880 18.012 32.760 1.00 45.52 C ATOM 147 CG ASN A 21 2.580 17.182 33.988 1.00 62.39 C ATOM 148 OD1 ASN A 21 1.449 17.133 34.486 1.00 54.91 O ATOM 149 ND2 ASN A 21 3.603 16.544 34.533 1.00 53.27 N ATOM 150 HD22 ASN A 21 4.544 16.601 34.095 1.00 0.00 H ATOM 151 HD21 ASN A 21 3.466 15.986 35.400 1.00 0.00 H ATOM 152 H ASN A 21 2.623 16.156 30.994 1.00 0.00 H ATOM 153 N LEU A 22 2.576 19.139 29.675 1.00 43.29 N ATOM 154 CA LEU A 22 2.688 20.207 28.674 1.00 42.36 C ATOM 155 C LEU A 22 1.325 20.413 28.003 1.00 45.46 C ATOM 156 O LEU A 22 0.946 21.550 27.721 1.00 44.97 O ATOM 157 CB LEU A 22 3.754 19.871 27.611 1.00 41.65 C ATOM 158 CG LEU A 22 5.225 19.966 28.036 1.00 46.62 C ATOM 159 CD1 LEU A 22 6.097 19.089 27.161 1.00 46.43 C ATOM 160 CD2 LEU A 22 5.729 21.393 27.983 1.00 49.47 C ATOM 161 H LEU A 22 3.093 18.253 29.502 1.00 0.00 H ATOM 162 N ASN A 23 0.586 19.305 27.776 1.00 42.16 N ATOM 163 CA ASN A 23 -0.758 19.295 27.195 1.00 42.68 C ATOM 164 C ASN A 23 -1.760 19.935 28.162 1.00 47.83 C ATOM 165 O ASN A 23 -2.675 20.628 27.716 1.00 48.12 O ATOM 166 CB ASN A 23 -1.179 17.867 26.835 1.00 44.34 C ATOM 167 CG ASN A 23 -2.423 17.766 25.980 1.00 65.91 C ATOM 168 OD1 ASN A 23 -2.732 18.638 25.157 1.00 59.08 O ATOM 169 ND2 ASN A 23 -3.151 16.672 26.135 1.00 58.90 N ATOM 170 HD22 ASN A 23 -2.870 15.955 26.833 1.00 0.00 H ATOM 171 HD21 ASN A 23 -4.005 16.529 25.558 1.00 0.00 H ATOM 172 H ASN A 23 1.004 18.388 28.034 1.00 0.00 H ATOM 173 N ARG A 24 -1.564 19.720 29.482 1.00 44.92 N ATOM 174 CA ARG A 24 -2.382 20.297 30.552 1.00 46.34 C ATOM 175 C ARG A 24 -2.175 21.816 30.614 1.00 50.42 C ATOM 176 O ARG A 24 -3.138 22.551 30.844 1.00 51.49 O ATOM 177 CB ARG A 24 -2.044 19.655 31.908 1.00 47.38 C ATOM 178 CG ARG A 24 -2.674 18.286 32.116 1.00 58.46 C ATOM 179 CD ARG A 24 -2.126 17.606 33.354 1.00 68.36 C ATOM 180 NE ARG A 24 -2.840 16.364 33.655 1.00 77.16 N ATOM 181 CZ ARG A 24 -2.424 15.449 34.524 1.00 91.37 C ATOM 182 NH1 ARG A 24 -1.284 15.618 35.183 1.00 77.98 N ATOM 183 NH2 ARG A 24 -3.139 14.352 34.734 1.00 79.34 N ATOM 184 HE ARG A 24 -3.734 16.186 33.154 1.00 0.00 H ATOM 185 HH12 ARG A 24 -0.964 14.898 35.862 1.00 0.00 H ATOM 186 HH11 ARG A 24 -0.711 16.470 35.020 1.00 0.00 H ATOM 187 HH22 ARG A 24 -2.809 13.639 35.415 1.00 0.00 H ATOM 188 HH21 ARG A 24 -4.030 14.205 34.217 1.00 0.00 H ATOM 189 H ARG A 24 -0.776 19.100 29.758 1.00 0.00 H ATOM 190 N LEU A 25 -0.923 22.280 30.391 1.00 45.61 N ATOM 191 CA LEU A 25 -0.569 23.703 30.374 1.00 45.62 C ATOM 192 C LEU A 25 -1.163 24.385 29.142 1.00 49.58 C ATOM 193 O LEU A 25 -1.654 25.507 29.250 1.00 50.21 O ATOM 194 CB LEU A 25 0.960 23.919 30.427 1.00 44.64 C ATOM 195 CG LEU A 25 1.702 23.475 31.700 1.00 49.46 C ATOM 196 CD1 LEU A 25 3.203 23.551 31.507 1.00 48.73 C ATOM 197 CD2 LEU A 25 1.284 24.288 32.921 1.00 53.23 C ATOM 198 H LEU A 25 -0.167 21.586 30.222 1.00 0.00 H ATOM 199 N ARG A 26 -1.140 23.694 27.981 1.00 45.31 N ATOM 200 CA ARG A 26 -1.698 24.170 26.711 1.00 45.20 C ATOM 201 C ARG A 26 -3.223 24.329 26.836 1.00 50.52 C ATOM 202 O ARG A 26 -3.772 25.327 26.368 1.00 51.19 O ATOM 203 CB ARG A 26 -1.331 23.199 25.571 1.00 44.26 C ATOM 204 CG ARG A 26 -1.592 23.737 24.166 1.00 55.03 C ATOM 205 CD ARG A 26 -2.770 23.055 23.492 1.00 67.24 C ATOM 206 NE ARG A 26 -2.451 21.697 23.043 1.00 76.12 N ATOM 207 CZ ARG A 26 -3.278 20.920 22.348 1.00 91.22 C ATOM 208 NH1 ARG A 26 -4.484 21.359 22.007 1.00 80.00 N ATOM 209 NH2 ARG A 26 -2.904 19.701 21.985 1.00 77.14 N ATOM 210 HE ARG A 26 -1.514 21.314 23.284 1.00 0.00 H ATOM 211 HH12 ARG A 26 -5.126 20.747 21.464 1.00 0.00 H ATOM 212 HH11 ARG A 26 -4.787 22.315 22.283 1.00 0.00 H ATOM 213 HH22 ARG A 26 -3.554 19.098 21.442 1.00 0.00 H ATOM 214 HH21 ARG A 26 -1.960 19.348 22.243 1.00 0.00 H ATOM 215 H ARG A 26 -0.693 22.755 27.989 1.00 0.00 H ATOM 216 N SER A 27 -3.888 23.355 27.496 1.00 47.49 N ATOM 217 CA SER A 27 -5.333 23.332 27.745 1.00 49.09 C ATOM 218 C SER A 27 -5.761 24.458 28.697 1.00 54.23 C ATOM 219 O SER A 27 -6.861 24.995 28.553 1.00 55.56 O ATOM 220 CB SER A 27 -5.749 21.978 28.313 1.00 53.19 C ATOM 221 OG SER A 27 -7.146 21.903 28.542 1.00 65.20 O ATOM 222 HG SER A 27 -7.627 22.041 27.688 1.00 0.00 H ATOM 223 H SER A 27 -3.329 22.556 27.857 1.00 0.00 H ATOM 224 N ARG A 28 -4.891 24.803 29.665 1.00 50.08 N ATOM 225 CA ARG A 28 -5.127 25.853 30.659 1.00 51.29 C ATOM 226 C ARG A 28 -4.517 27.210 30.251 1.00 54.87 C ATOM 227 O ARG A 28 -4.587 28.169 31.025 1.00 55.93 O ATOM 228 CB ARG A 28 -4.618 25.406 32.038 1.00 51.10 C ATOM 229 CG ARG A 28 -5.524 24.394 32.734 1.00 59.82 C ATOM 230 CD ARG A 28 -5.046 24.078 34.138 1.00 65.80 C ATOM 231 NE ARG A 28 -5.130 25.245 35.019 1.00 72.35 N ATOM 232 CZ ARG A 28 -4.373 25.431 36.095 1.00 84.19 C ATOM 233 NH1 ARG A 28 -3.464 24.527 36.441 1.00 69.53 N ATOM 234 NH2 ARG A 28 -4.515 26.524 36.831 1.00 71.09 N ATOM 235 HE ARG A 28 -5.830 25.978 34.786 1.00 0.00 H ATOM 236 HH12 ARG A 28 -2.875 24.679 37.284 1.00 0.00 H ATOM 237 HH11 ARG A 28 -3.341 23.667 35.869 1.00 0.00 H ATOM 238 HH22 ARG A 28 -3.920 26.665 37.672 1.00 0.00 H ATOM 239 HH21 ARG A 28 -5.221 27.240 36.567 1.00 0.00 H ATOM 240 H ARG A 28 -3.989 24.288 29.710 1.00 0.00 H ATOM 241 N ASP A 29 -3.937 27.283 29.025 1.00 49.85 N ATOM 242 CA ASP A 29 -3.311 28.462 28.401 1.00 49.53 C ATOM 243 C ASP A 29 -2.135 29.049 29.226 1.00 52.76 C ATOM 244 O ASP A 29 -1.898 30.262 29.207 1.00 53.45 O ATOM 245 CB ASP A 29 -4.370 29.536 28.055 1.00 53.60 C ATOM 246 CG ASP A 29 -3.961 30.480 26.941 1.00 64.78 C ATOM 247 OD1 ASP A 29 -3.775 30.006 25.800 1.00 64.06 O ATOM 248 OD2 ASP A 29 -3.836 31.694 27.210 1.00 72.49 O ATOM 249 H ASP A 29 -3.934 26.408 28.463 1.00 0.00 H ATOM 250 N ILE A 30 -1.380 28.175 29.917 1.00 47.68 N ATOM 251 CA ILE A 30 -0.225 28.578 30.720 1.00 47.22 C ATOM 252 C ILE A 30 1.042 28.546 29.862 1.00 49.15 C ATOM 253 O ILE A 30 1.416 27.493 29.340 1.00 47.24 O ATOM 254 CB ILE A 30 -0.088 27.772 32.049 1.00 50.43 C ATOM 255 CG1 ILE A 30 -1.367 27.890 32.916 1.00 52.85 C ATOM 256 CG2 ILE A 30 1.155 28.219 32.842 1.00 51.04 C ATOM 257 CD1 ILE A 30 -1.595 26.738 33.919 1.00 60.17 C ATOM 258 H ILE A 30 -1.629 27.166 29.878 1.00 0.00 H ATOM 259 N LEU A 31 1.680 29.724 29.717 1.00 46.21 N ATOM 260 CA LEU A 31 2.921 29.990 28.975 1.00 45.21 C ATOM 261 C LEU A 31 2.834 29.695 27.460 1.00 47.99 C ATOM 262 O LEU A 31 3.870 29.514 26.812 1.00 46.68 O ATOM 263 CB LEU A 31 4.137 29.286 29.614 1.00 44.44 C ATOM 264 CG LEU A 31 4.517 29.752 31.017 1.00 50.27 C ATOM 265 CD1 LEU A 31 5.182 28.649 31.777 1.00 49.62 C ATOM 266 CD2 LEU A 31 5.402 30.992 30.979 1.00 53.86 C ATOM 267 H LEU A 31 1.242 30.543 30.186 1.00 0.00 H ATOM 268 N THR A 32 1.610 29.706 26.889 1.00 45.04 N ATOM 269 CA THR A 32 1.400 29.533 25.448 1.00 44.26 C ATOM 270 C THR A 32 1.767 30.878 24.819 1.00 49.68 C ATOM 271 O THR A 32 1.071 31.873 25.032 1.00 51.29 O ATOM 272 CB THR A 32 -0.030 29.058 25.133 1.00 52.32 C ATOM 273 OG1 THR A 32 -0.973 29.872 25.832 1.00 53.90 O ATOM 274 CG2 THR A 32 -0.249 27.590 25.474 1.00 49.87 C ATOM 275 HG1 THR A 32 -1.891 29.563 25.626 1.00 0.00 H ATOM 276 H THR A 32 0.779 29.843 27.499 1.00 0.00 H ATOM 277 N ASP A 33 2.918 30.920 24.134 1.00 45.62 N ATOM 278 CA ASP A 33 3.498 32.135 23.555 1.00 46.47 C ATOM 279 C ASP A 33 3.254 32.337 22.046 1.00 50.23 C ATOM 280 O ASP A 33 3.809 33.280 21.473 1.00 50.82 O ATOM 281 CB ASP A 33 5.011 32.199 23.871 1.00 48.06 C ATOM 282 CG ASP A 33 5.833 30.948 23.572 1.00 56.06 C ATOM 283 OD1 ASP A 33 5.272 29.981 23.006 1.00 54.72 O ATOM 284 OD2 ASP A 33 7.037 30.937 23.908 1.00 63.05 O ATOM 285 H ASP A 33 3.436 30.028 24.004 1.00 0.00 H ATOM 286 N VAL A 34 2.412 31.499 21.408 1.00 45.83 N ATOM 287 CA VAL A 34 2.144 31.636 19.971 1.00 45.78 C ATOM 288 C VAL A 34 0.693 31.252 19.596 1.00 49.81 C ATOM 289 O VAL A 34 0.092 30.373 20.220 1.00 48.44 O ATOM 290 CB VAL A 34 3.210 30.883 19.117 1.00 48.41 C ATOM 291 CG1 VAL A 34 3.036 29.369 19.181 1.00 46.56 C ATOM 292 CG2 VAL A 34 3.251 31.380 17.673 1.00 48.85 C ATOM 293 H VAL A 34 1.943 30.741 21.944 1.00 0.00 H ATOM 294 N VAL A 35 0.149 31.941 18.575 1.00 47.70 N ATOM 295 CA VAL A 35 -1.184 31.721 18.012 1.00 48.04 C ATOM 296 C VAL A 35 -0.992 31.290 16.552 1.00 51.58 C ATOM 297 O VAL A 35 -0.414 32.039 15.759 1.00 51.72 O ATOM 298 CB VAL A 35 -2.102 32.976 18.130 1.00 54.32 C ATOM 299 CG1 VAL A 35 -3.462 32.738 17.474 1.00 54.91 C ATOM 300 CG2 VAL A 35 -2.279 33.407 19.584 1.00 55.01 C ATOM 301 H VAL A 35 0.726 32.695 18.150 1.00 0.00 H ATOM 302 N ILE A 36 -1.459 30.082 16.208 1.00 47.48 N ATOM 303 CA ILE A 36 -1.371 29.554 14.847 1.00 47.00 C ATOM 304 C ILE A 36 -2.723 29.759 14.164 1.00 52.53 C ATOM 305 O ILE A 36 -3.735 29.221 14.620 1.00 52.13 O ATOM 306 CB ILE A 36 -0.872 28.076 14.783 1.00 48.30 C ATOM 307 CG1 ILE A 36 0.338 27.796 15.733 1.00 47.61 C ATOM 308 CG2 ILE A 36 -0.574 27.653 13.340 1.00 48.85 C ATOM 309 CD1 ILE A 36 1.677 28.603 15.494 1.00 54.48 C ATOM 310 H ILE A 36 -1.904 29.494 16.941 1.00 0.00 H ATOM 311 N VAL A 37 -2.734 30.569 13.091 1.00 50.75 N ATOM 312 CA VAL A 37 -3.942 30.892 12.333 1.00 52.25 C ATOM 313 C VAL A 37 -4.005 30.051 11.054 1.00 55.99 C ATOM 314 O VAL A 37 -3.201 30.246 10.136 1.00 55.53 O ATOM 315 CB VAL A 37 -4.098 32.420 12.070 1.00 58.43 C ATOM 316 CG1 VAL A 37 -5.404 32.732 11.338 1.00 60.11 C ATOM 317 CG2 VAL A 37 -4.015 33.219 13.369 1.00 58.96 C ATOM 318 H VAL A 37 -1.834 30.989 12.783 1.00 0.00 H ATOM 319 N VAL A 38 -4.952 29.100 11.019 1.00 52.67 N ATOM 320 CA VAL A 38 -5.192 28.209 9.881 1.00 52.39 C ATOM 321 C VAL A 38 -6.560 28.587 9.300 1.00 58.60 C ATOM 322 O VAL A 38 -7.591 28.323 9.927 1.00 58.72 O ATOM 323 CB VAL A 38 -5.085 26.703 10.261 1.00 54.65 C ATOM 324 CG1 VAL A 38 -5.264 25.811 9.036 1.00 54.39 C ATOM 325 CG2 VAL A 38 -3.759 26.395 10.950 1.00 52.91 C ATOM 326 H VAL A 38 -5.557 28.988 11.858 1.00 0.00 H ATOM 327 N SER A 39 -6.546 29.244 8.117 1.00 56.76 N ATOM 328 CA SER A 39 -7.705 29.763 7.376 1.00 59.01 C ATOM 329 C SER A 39 -8.517 30.777 8.199 1.00 64.92 C ATOM 330 O SER A 39 -8.325 31.981 8.022 1.00 66.20 O ATOM 331 CB SER A 39 -8.575 28.638 6.814 1.00 62.97 C ATOM 332 OG SER A 39 -7.902 27.942 5.779 1.00 71.77 O ATOM 333 HG SER A 39 -7.685 28.572 5.046 1.00 0.00 H ATOM 334 H SER A 39 -5.613 29.399 7.684 1.00 0.00 H ATOM 335 N ARG A 40 -9.393 30.295 9.107 1.00 61.49 N ATOM 336 CA ARG A 40 -10.220 31.126 9.992 1.00 63.13 C ATOM 337 C ARG A 40 -10.153 30.630 11.446 1.00 65.25 C ATOM 338 O ARG A 40 -10.642 31.306 12.356 1.00 66.33 O ATOM 339 CB ARG A 40 -11.686 31.174 9.506 1.00 66.29 C ATOM 340 CG ARG A 40 -11.910 31.777 8.113 1.00 79.24 C ATOM 341 CD ARG A 40 -11.504 33.238 8.006 1.00 89.78 C ATOM 342 NE ARG A 40 -12.526 34.027 7.323 1.00100.34 N ATOM 343 CZ ARG A 40 -13.425 34.784 7.942 1.00116.06 C ATOM 344 NH1 ARG A 40 -13.425 34.879 9.266 1.00101.98 N ATOM 345 NH2 ARG A 40 -14.322 35.464 7.242 1.00106.43 N ATOM 346 HE ARG A 40 -12.551 33.994 6.284 1.00 0.00 H ATOM 347 HH12 ARG A 40 -14.132 35.473 9.745 1.00 0.00 H ATOM 348 HH11 ARG A 40 -12.718 34.359 9.825 1.00 0.00 H ATOM 349 HH22 ARG A 40 -15.024 36.055 7.731 1.00 0.00 H ATOM 350 HH21 ARG A 40 -14.324 35.406 6.204 1.00 0.00 H ATOM 351 H ARG A 40 -9.489 29.262 9.185 1.00 0.00 H ATOM 352 N GLU A 41 -9.532 29.455 11.651 1.00 58.78 N ATOM 353 CA GLU A 41 -9.378 28.792 12.946 1.00 57.09 C ATOM 354 C GLU A 41 -8.076 29.202 13.629 1.00 58.83 C ATOM 355 O GLU A 41 -7.047 29.343 12.964 1.00 57.46 O ATOM 356 CB GLU A 41 -9.444 27.263 12.777 1.00 57.03 C ATOM 357 CG GLU A 41 -10.625 26.790 11.940 1.00 68.82 C ATOM 358 CD GLU A 41 -11.649 25.889 12.604 1.00 89.72 C ATOM 359 OE1 GLU A 41 -12.819 25.909 12.159 1.00 86.14 O ATOM 360 OE2 GLU A 41 -11.282 25.138 13.536 1.00 83.69 O ATOM 361 H GLU A 41 -9.128 28.978 10.820 1.00 0.00 H ATOM 362 N GLN A 42 -8.126 29.392 14.959 1.00 54.96 N ATOM 363 CA GLN A 42 -6.977 29.788 15.776 1.00 53.37 C ATOM 364 C GLN A 42 -6.599 28.691 16.765 1.00 54.84 C ATOM 365 O GLN A 42 -7.479 28.101 17.396 1.00 54.93 O ATOM 366 CB GLN A 42 -7.261 31.106 16.511 1.00 56.66 C ATOM 367 CG GLN A 42 -7.122 32.339 15.625 1.00 73.87 C ATOM 368 CD GLN A 42 -7.716 33.566 16.268 1.00 96.49 C ATOM 369 OE1 GLN A 42 -8.823 33.995 15.930 1.00 94.65 O ATOM 370 NE2 GLN A 42 -6.989 34.166 17.201 1.00 88.84 N ATOM 371 HE22 GLN A 42 -6.060 33.780 17.464 1.00 0.00 H ATOM 372 HE21 GLN A 42 -7.348 35.022 17.669 1.00 0.00 H ATOM 373 H GLN A 42 -9.038 29.249 15.438 1.00 0.00 H ATOM 374 N PHE A 43 -5.288 28.414 16.891 1.00 48.97 N ATOM 375 CA PHE A 43 -4.765 27.381 17.786 1.00 47.02 C ATOM 376 C PHE A 43 -3.596 27.905 18.612 1.00 49.97 C ATOM 377 O PHE A 43 -2.575 28.308 18.052 1.00 48.97 O ATOM 378 CB PHE A 43 -4.340 26.125 16.996 1.00 47.28 C ATOM 379 CG PHE A 43 -5.387 25.542 16.077 1.00 49.33 C ATOM 380 CD1 PHE A 43 -6.340 24.652 16.558 1.00 52.79 C ATOM 381 CD2 PHE A 43 -5.404 25.861 14.724 1.00 51.74 C ATOM 382 CE1 PHE A 43 -7.305 24.108 15.704 1.00 54.53 C ATOM 383 CE2 PHE A 43 -6.368 25.316 13.871 1.00 55.33 C ATOM 384 CZ PHE A 43 -7.311 24.441 14.367 1.00 53.90 C ATOM 385 H PHE A 43 -4.611 28.963 16.323 1.00 0.00 H ATOM 386 N ARG A 44 -3.748 27.900 19.945 1.00 46.68 N ATOM 387 CA ARG A 44 -2.703 28.347 20.865 1.00 46.08 C ATOM 388 C ARG A 44 -1.850 27.159 21.295 1.00 47.96 C ATOM 389 O ARG A 44 -2.388 26.110 21.662 1.00 47.44 O ATOM 390 CB ARG A 44 -3.295 29.075 22.084 1.00 48.28 C ATOM 391 CG ARG A 44 -3.900 30.436 21.750 1.00 62.06 C ATOM 392 CD ARG A 44 -3.622 31.474 22.821 1.00 75.11 C ATOM 393 NE ARG A 44 -2.261 32.006 22.730 1.00 85.52 N ATOM 394 CZ ARG A 44 -1.782 32.989 23.486 1.00102.29 C ATOM 395 NH1 ARG A 44 -2.547 33.560 24.409 1.00 91.53 N ATOM 396 NH2 ARG A 44 -0.535 33.411 23.324 1.00 89.94 N ATOM 397 HE ARG A 44 -1.624 31.585 22.024 1.00 0.00 H ATOM 398 HH12 ARG A 44 -2.166 34.329 24.997 1.00 0.00 H ATOM 399 HH11 ARG A 44 -3.527 33.239 24.544 1.00 0.00 H ATOM 400 HH22 ARG A 44 -0.165 34.180 23.918 1.00 0.00 H ATOM 401 HH21 ARG A 44 0.073 32.973 22.603 1.00 0.00 H ATOM 402 H ARG A 44 -4.649 27.563 20.341 1.00 0.00 H ATOM 403 N ALA A 45 -0.519 27.315 21.216 1.00 43.00 N ATOM 404 CA ALA A 45 0.447 26.275 21.572 1.00 41.13 C ATOM 405 C ALA A 45 1.753 26.874 22.111 1.00 43.91 C ATOM 406 O ALA A 45 1.898 28.097 22.167 1.00 44.28 O ATOM 407 CB ALA A 45 0.734 25.399 20.355 1.00 40.88 C ATOM 408 H ALA A 45 -0.153 28.229 20.882 1.00 0.00 H ATOM 409 N HIS A 46 2.691 26.002 22.522 1.00 38.90 N ATOM 410 CA HIS A 46 4.019 26.384 22.996 1.00 38.39 C ATOM 411 C HIS A 46 4.970 26.268 21.803 1.00 41.33 C ATOM 412 O HIS A 46 4.939 25.256 21.098 1.00 40.11 O ATOM 413 CB HIS A 46 4.483 25.464 24.139 1.00 38.58 C ATOM 414 CG HIS A 46 3.581 25.466 25.332 1.00 42.38 C ATOM 415 ND1 HIS A 46 2.637 24.474 25.522 1.00 43.83 N ATOM 416 CD2 HIS A 46 3.512 26.340 26.362 1.00 45.03 C ATOM 417 CE1 HIS A 46 2.026 24.774 26.657 1.00 44.10 C ATOM 418 NE2 HIS A 46 2.520 25.886 27.200 1.00 45.18 N ATOM 419 H HIS A 46 2.455 24.989 22.501 1.00 0.00 H ATOM 420 N LYS A 47 5.798 27.306 21.569 1.00 38.50 N ATOM 421 CA LYS A 47 6.767 27.367 20.463 1.00 38.40 C ATOM 422 C LYS A 47 7.760 26.201 20.480 1.00 41.62 C ATOM 423 O LYS A 47 8.091 25.668 19.421 1.00 41.02 O ATOM 424 CB LYS A 47 7.531 28.699 20.478 1.00 42.13 C ATOM 425 CG LYS A 47 6.742 29.890 19.965 1.00 56.82 C ATOM 426 CD LYS A 47 7.528 31.177 20.145 1.00 68.33 C ATOM 427 CE LYS A 47 6.688 32.396 19.878 1.00 80.23 C ATOM 428 NZ LYS A 47 7.434 33.649 20.160 1.00 91.09 N ATOM 429 HZ1 LYS A 47 7.723 33.662 21.159 1.00 0.00 H ATOM 430 HZ2 LYS A 47 8.278 33.693 19.554 1.00 0.00 H ATOM 431 HZ3 LYS A 47 6.822 34.467 19.964 1.00 0.00 H ATOM 432 H LYS A 47 5.749 28.120 22.215 1.00 0.00 H ATOM 433 N THR A 48 8.219 25.808 21.686 1.00 37.96 N ATOM 434 CA THR A 48 9.172 24.719 21.921 1.00 37.39 C ATOM 435 C THR A 48 8.620 23.363 21.490 1.00 40.60 C ATOM 436 O THR A 48 9.366 22.554 20.937 1.00 40.21 O ATOM 437 CB THR A 48 9.620 24.699 23.387 1.00 44.34 C ATOM 438 OG1 THR A 48 8.471 24.593 24.229 1.00 42.71 O ATOM 439 CG2 THR A 48 10.452 25.918 23.767 1.00 43.86 C ATOM 440 HG1 THR A 48 8.758 24.580 25.176 1.00 0.00 H ATOM 441 H THR A 48 7.867 26.321 22.520 1.00 0.00 H ATOM 442 N VAL A 49 7.316 23.118 21.744 1.00 37.03 N ATOM 443 CA VAL A 49 6.625 21.877 21.376 1.00 36.35 C ATOM 444 C VAL A 49 6.494 21.802 19.845 1.00 40.25 C ATOM 445 O VAL A 49 6.705 20.732 19.276 1.00 39.64 O ATOM 446 CB VAL A 49 5.266 21.697 22.117 1.00 40.10 C ATOM 447 CG1 VAL A 49 4.608 20.362 21.767 1.00 39.70 C ATOM 448 CG2 VAL A 49 5.443 21.811 23.630 1.00 40.21 C ATOM 449 H VAL A 49 6.767 23.855 22.231 1.00 0.00 H ATOM 450 N LEU A 50 6.205 22.951 19.189 1.00 37.59 N ATOM 451 CA LEU A 50 6.076 23.065 17.730 1.00 37.84 C ATOM 452 C LEU A 50 7.376 22.714 17.008 1.00 42.31 C ATOM 453 O LEU A 50 7.343 21.950 16.045 1.00 42.04 O ATOM 454 CB LEU A 50 5.596 24.465 17.301 1.00 38.58 C ATOM 455 CG LEU A 50 4.206 24.937 17.740 1.00 43.47 C ATOM 456 CD1 LEU A 50 4.061 26.403 17.485 1.00 44.45 C ATOM 457 CD2 LEU A 50 3.095 24.213 16.993 1.00 46.04 C ATOM 458 H LEU A 50 6.065 23.811 19.757 1.00 0.00 H ATOM 459 N MET A 51 8.513 23.257 17.489 1.00 39.58 N ATOM 460 CA MET A 51 9.856 23.034 16.940 1.00 40.36 C ATOM 461 C MET A 51 10.283 21.572 17.060 1.00 44.69 C ATOM 462 O MET A 51 10.891 21.035 16.133 1.00 44.91 O ATOM 463 CB MET A 51 10.888 23.913 17.665 1.00 43.42 C ATOM 464 CG MET A 51 10.736 25.388 17.403 1.00 47.62 C ATOM 465 SD MET A 51 11.953 26.339 18.338 1.00 52.83 S ATOM 466 CE MET A 51 13.289 26.333 17.208 1.00 50.91 C ATOM 467 H MET A 51 8.432 23.884 18.315 1.00 0.00 H ATOM 468 N ALA A 52 9.972 20.945 18.209 1.00 41.42 N ATOM 469 CA ALA A 52 10.308 19.561 18.545 1.00 41.86 C ATOM 470 C ALA A 52 9.635 18.507 17.656 1.00 46.49 C ATOM 471 O ALA A 52 10.222 17.448 17.430 1.00 46.90 O ATOM 472 CB ALA A 52 9.981 19.292 20.007 1.00 42.20 C ATOM 473 H ALA A 52 9.447 21.492 18.921 1.00 0.00 H ATOM 474 N CYS A 53 8.411 18.786 17.168 1.00 42.91 N ATOM 475 CA CYS A 53 7.642 17.839 16.353 1.00 43.06 C ATOM 476 C CYS A 53 7.513 18.232 14.878 1.00 46.76 C ATOM 477 O CYS A 53 7.121 17.391 14.069 1.00 46.72 O ATOM 478 CB CYS A 53 6.269 17.582 16.968 1.00 43.04 C ATOM 479 SG CYS A 53 6.250 17.509 18.778 1.00 46.86 S ATOM 480 H CYS A 53 7.992 19.714 17.378 1.00 0.00 H ATOM 481 N SER A 54 7.801 19.497 14.530 1.00 42.89 N ATOM 482 CA SER A 54 7.662 19.980 13.157 1.00 42.85 C ATOM 483 C SER A 54 8.929 20.638 12.618 1.00 47.07 C ATOM 484 O SER A 54 9.547 21.452 13.305 1.00 46.77 O ATOM 485 CB SER A 54 6.458 20.915 13.048 1.00 45.49 C ATOM 486 OG SER A 54 6.516 21.803 11.944 1.00 53.49 O ATOM 487 HG SER A 54 6.558 21.281 11.104 1.00 0.00 H ATOM 488 H SER A 54 8.134 20.156 15.263 1.00 0.00 H ATOM 489 N GLY A 55 9.285 20.276 11.386 1.00 44.01 N ATOM 490 CA GLY A 55 10.441 20.812 10.677 1.00 44.80 C ATOM 491 C GLY A 55 10.230 22.240 10.216 1.00 48.29 C ATOM 492 O GLY A 55 11.175 23.033 10.208 1.00 48.52 O ATOM 493 H GLY A 55 8.701 19.566 10.899 1.00 0.00 H ATOM 494 N LEU A 56 8.979 22.573 9.833 1.00 44.33 N ATOM 495 CA LEU A 56 8.570 23.907 9.389 1.00 44.74 C ATOM 496 C LEU A 56 8.645 24.886 10.561 1.00 48.13 C ATOM 497 O LEU A 56 9.253 25.947 10.421 1.00 48.75 O ATOM 498 CB LEU A 56 7.147 23.870 8.796 1.00 44.53 C ATOM 499 CG LEU A 56 6.607 25.178 8.208 1.00 50.32 C ATOM 500 CD1 LEU A 56 6.970 25.317 6.736 1.00 51.99 C ATOM 501 CD2 LEU A 56 5.106 25.267 8.380 1.00 52.28 C ATOM 502 H LEU A 56 8.253 21.828 9.855 1.00 0.00 H ATOM 503 N PHE A 57 8.055 24.516 11.719 1.00 43.38 N ATOM 504 CA PHE A 57 8.073 25.346 12.922 1.00 43.02 C ATOM 505 C PHE A 57 9.474 25.489 13.508 1.00 47.95 C ATOM 506 O PHE A 57 9.779 26.537 14.075 1.00 48.15 O ATOM 507 CB PHE A 57 7.063 24.858 13.969 1.00 43.51 C ATOM 508 CG PHE A 57 5.613 25.128 13.631 1.00 44.75 C ATOM 509 CD1 PHE A 57 5.161 26.425 13.411 1.00 48.44 C ATOM 510 CD2 PHE A 57 4.689 24.091 13.583 1.00 46.18 C ATOM 511 CE1 PHE A 57 3.819 26.674 13.107 1.00 49.53 C ATOM 512 CE2 PHE A 57 3.345 24.342 13.290 1.00 49.11 C ATOM 513 CZ PHE A 57 2.920 25.631 13.051 1.00 47.97 C ATOM 514 H PHE A 57 7.566 23.599 11.756 1.00 0.00 H ATOM 515 N TYR A 58 10.338 24.461 13.339 1.00 44.94 N ATOM 516 CA TYR A 58 11.728 24.517 13.792 1.00 45.83 C ATOM 517 C TYR A 58 12.474 25.568 12.969 1.00 51.54 C ATOM 518 O TYR A 58 13.098 26.449 13.550 1.00 51.95 O ATOM 519 CB TYR A 58 12.421 23.140 13.702 1.00 47.25 C ATOM 520 CG TYR A 58 13.921 23.193 13.914 1.00 50.58 C ATOM 521 CD1 TYR A 58 14.461 23.392 15.182 1.00 52.60 C ATOM 522 CD2 TYR A 58 14.802 23.053 12.845 1.00 53.05 C ATOM 523 CE1 TYR A 58 15.839 23.452 15.381 1.00 55.14 C ATOM 524 CE2 TYR A 58 16.183 23.116 13.031 1.00 55.68 C ATOM 525 CZ TYR A 58 16.697 23.312 14.302 1.00 63.45 C ATOM 526 OH TYR A 58 18.056 23.369 14.493 1.00 66.55 O ATOM 527 HH TYR A 58 18.247 23.513 15.454 1.00 0.00 H ATOM 528 H TYR A 58 10.000 23.597 12.869 1.00 0.00 H ATOM 529 N SER A 59 12.356 25.498 11.623 1.00 49.01 N ATOM 530 CA SER A 59 12.979 26.419 10.666 1.00 50.76 C ATOM 531 C SER A 59 12.541 27.873 10.873 1.00 55.52 C ATOM 532 O SER A 59 13.354 28.782 10.698 1.00 56.92 O ATOM 533 CB SER A 59 12.678 25.984 9.235 1.00 54.67 C ATOM 534 OG SER A 59 13.167 24.677 8.982 1.00 63.72 O ATOM 535 HG SER A 59 12.736 24.039 9.604 1.00 0.00 H ATOM 536 H SER A 59 11.776 24.727 11.235 1.00 0.00 H ATOM 537 N ILE A 60 11.267 28.085 11.254 1.00 51.15 N ATOM 538 CA ILE A 60 10.701 29.412 11.498 1.00 51.74 C ATOM 539 C ILE A 60 11.211 30.005 12.824 1.00 56.00 C ATOM 540 O ILE A 60 11.759 31.108 12.818 1.00 57.31 O ATOM 541 CB ILE A 60 9.139 29.403 11.380 1.00 53.84 C ATOM 542 CG1 ILE A 60 8.698 29.214 9.907 1.00 54.73 C ATOM 543 CG2 ILE A 60 8.501 30.675 11.981 1.00 55.12 C ATOM 544 CD1 ILE A 60 7.270 28.665 9.709 1.00 60.30 C ATOM 545 H ILE A 60 10.650 27.258 11.382 1.00 0.00 H ATOM 546 N PHE A 61 11.045 29.277 13.944 1.00 51.10 N ATOM 547 CA PHE A 61 11.416 29.775 15.267 1.00 51.17 C ATOM 548 C PHE A 61 12.936 29.776 15.569 1.00 56.29 C ATOM 549 O PHE A 61 13.332 30.475 16.502 1.00 56.58 O ATOM 550 CB PHE A 61 10.621 29.063 16.375 1.00 51.31 C ATOM 551 CG PHE A 61 9.130 29.324 16.324 1.00 52.24 C ATOM 552 CD1 PHE A 61 8.624 30.611 16.480 1.00 56.39 C ATOM 553 CD2 PHE A 61 8.230 28.280 16.143 1.00 53.01 C ATOM 554 CE1 PHE A 61 7.248 30.852 16.423 1.00 57.06 C ATOM 555 CE2 PHE A 61 6.853 28.522 16.089 1.00 55.60 C ATOM 556 CZ PHE A 61 6.372 29.805 16.235 1.00 54.81 C ATOM 557 H PHE A 61 10.637 28.324 13.865 1.00 0.00 H ATOM 558 N THR A 62 13.787 29.068 14.780 1.00 53.60 N ATOM 559 CA THR A 62 15.249 29.128 14.992 1.00 55.06 C ATOM 560 C THR A 62 15.752 30.503 14.513 1.00 60.97 C ATOM 561 O THR A 62 16.650 31.081 15.130 1.00 61.98 O ATOM 562 CB THR A 62 15.999 27.944 14.339 1.00 63.77 C ATOM 563 OG1 THR A 62 15.448 26.717 14.808 1.00 62.52 O ATOM 564 CG2 THR A 62 17.493 27.943 14.661 1.00 63.86 C ATOM 565 HG1 THR A 62 14.489 26.674 14.567 1.00 0.00 H ATOM 566 H THR A 62 13.404 28.475 14.016 1.00 0.00 H ATOM 567 N ASP A 63 15.132 31.029 13.433 1.00 57.78 N ATOM 568 CA ASP A 63 15.412 32.340 12.845 1.00 59.78 C ATOM 569 C ASP A 63 15.019 33.418 13.867 1.00 63.69 C ATOM 570 O ASP A 63 13.888 33.405 14.360 1.00 61.68 O ATOM 571 CB ASP A 63 14.604 32.507 11.538 1.00 61.71 C ATOM 572 CG ASP A 63 15.071 33.590 10.577 1.00 74.03 C ATOM 573 OD1 ASP A 63 15.784 34.519 11.020 1.00 76.34 O ATOM 574 OD2 ASP A 63 14.686 33.533 9.389 1.00 80.34 O ATOM 575 H ASP A 63 14.393 30.453 12.981 1.00 0.00 H ATOM 576 N GLN A 64 15.961 34.323 14.205 1.00 62.36 N ATOM 577 CA GLN A 64 15.742 35.394 15.187 1.00 62.94 C ATOM 578 C GLN A 64 14.739 36.462 14.730 1.00 67.30 C ATOM 579 O GLN A 64 14.187 37.176 15.571 1.00 67.28 O ATOM 580 CB GLN A 64 17.068 36.035 15.623 1.00 66.74 C ATOM 581 CG GLN A 64 17.324 35.951 17.132 1.00 83.09 C ATOM 582 CD GLN A 64 16.362 36.770 17.971 1.00103.50 C ATOM 583 OE1 GLN A 64 16.156 37.970 17.747 1.00100.86 O ATOM 584 NE2 GLN A 64 15.777 36.144 18.981 1.00 94.17 N ATOM 585 HE22 GLN A 64 15.967 35.135 19.148 1.00 0.00 H ATOM 586 HE21 GLN A 64 15.128 36.661 19.607 1.00 0.00 H ATOM 587 H GLN A 64 16.892 34.259 13.746 1.00 0.00 H ATOM 588 N LEU A 65 14.492 36.555 13.411 1.00 64.01 N ATOM 589 CA LEU A 65 13.537 37.499 12.824 1.00 64.71 C ATOM 590 C LEU A 65 12.098 37.029 13.061 1.00 66.18 C ATOM 591 O LEU A 65 11.186 37.858 13.120 1.00 66.60 O ATOM 592 CB LEU A 65 13.782 37.667 11.309 1.00 66.27 C ATOM 593 CG LEU A 65 15.211 37.969 10.837 1.00 73.40 C ATOM 594 CD1 LEU A 65 15.398 37.549 9.404 1.00 74.16 C ATOM 595 CD2 LEU A 65 15.556 39.441 10.985 1.00 78.81 C ATOM 596 H LEU A 65 15.009 35.920 12.770 1.00 0.00 H ATOM 597 N LYS A 66 11.902 35.701 13.195 1.00 60.15 N ATOM 598 CA LYS A 66 10.597 35.058 13.388 1.00 57.86 C ATOM 599 C LYS A 66 10.428 34.370 14.760 1.00 59.93 C ATOM 600 O LYS A 66 9.342 33.859 15.045 1.00 58.16 O ATOM 601 CB LYS A 66 10.322 34.054 12.249 1.00 59.15 C ATOM 602 CG LYS A 66 10.278 34.662 10.852 1.00 73.77 C ATOM 603 CD LYS A 66 10.268 33.577 9.787 1.00 82.00 C ATOM 604 CE LYS A 66 10.312 34.142 8.391 1.00 93.12 C ATOM 605 NZ LYS A 66 10.344 33.065 7.368 1.00101.02 N ATOM 606 HZ1 LYS A 66 11.189 32.477 7.512 1.00 0.00 H ATOM 607 HZ2 LYS A 66 9.491 32.477 7.459 1.00 0.00 H ATOM 608 HZ3 LYS A 66 10.374 33.490 6.419 1.00 0.00 H ATOM 609 H LYS A 66 12.740 35.086 13.159 1.00 0.00 H ATOM 610 N ARG A 67 11.487 34.358 15.599 1.00 56.81 N ATOM 611 CA ARG A 67 11.487 33.733 16.929 1.00 55.27 C ATOM 612 C ARG A 67 10.489 34.379 17.902 1.00 59.47 C ATOM 613 O ARG A 67 9.801 33.661 18.630 1.00 57.40 O ATOM 614 CB ARG A 67 12.907 33.725 17.529 1.00 56.17 C ATOM 615 CG ARG A 67 13.062 32.853 18.777 1.00 64.35 C ATOM 616 CD ARG A 67 14.495 32.784 19.264 1.00 74.95 C ATOM 617 NE ARG A 67 15.324 31.912 18.429 1.00 82.32 N ATOM 618 CZ ARG A 67 16.591 31.604 18.690 1.00 97.49 C ATOM 619 NH1 ARG A 67 17.191 32.088 19.771 1.00 85.48 N ATOM 620 NH2 ARG A 67 17.267 30.807 17.874 1.00 84.82 N ATOM 621 HE ARG A 67 14.893 31.506 17.574 1.00 0.00 H ATOM 622 HH12 ARG A 67 18.182 31.843 19.969 1.00 0.00 H ATOM 623 HH11 ARG A 67 16.670 32.712 20.420 1.00 0.00 H ATOM 624 HH22 ARG A 67 18.258 30.569 18.082 1.00 0.00 H ATOM 625 HH21 ARG A 67 16.807 30.420 17.026 1.00 0.00 H ATOM 626 H ARG A 67 12.362 34.823 15.282 1.00 0.00 H ATOM 627 N ASN A 68 10.414 35.721 17.912 1.00 58.42 N ATOM 628 CA ASN A 68 9.530 36.471 18.808 1.00 58.99 C ATOM 629 C ASN A 68 8.130 36.748 18.218 1.00 62.80 C ATOM 630 O ASN A 68 7.371 37.531 18.798 1.00 63.50 O ATOM 631 CB ASN A 68 10.212 37.766 19.279 1.00 62.42 C ATOM 632 CG ASN A 68 11.476 37.538 20.073 1.00 85.93 C ATOM 633 OD1 ASN A 68 11.474 36.905 21.135 1.00 79.16 O ATOM 634 ND2 ASN A 68 12.586 38.067 19.581 1.00 80.11 N ATOM 635 HD22 ASN A 68 12.558 38.595 18.685 1.00 0.00 H ATOM 636 HD21 ASN A 68 13.486 37.955 20.090 1.00 0.00 H ATOM 637 H ASN A 68 11.014 36.254 17.250 1.00 0.00 H ATOM 638 N LEU A 69 7.774 36.082 17.097 1.00 58.28 N ATOM 639 CA LEU A 69 6.464 36.246 16.462 1.00 58.22 C ATOM 640 C LEU A 69 5.351 35.616 17.297 1.00 60.90 C ATOM 641 O LEU A 69 5.366 34.408 17.542 1.00 58.50 O ATOM 642 CB LEU A 69 6.451 35.707 15.020 1.00 57.73 C ATOM 643 CG LEU A 69 6.687 36.723 13.897 1.00 64.64 C ATOM 644 CD1 LEU A 69 7.022 36.021 12.599 1.00 64.18 C ATOM 645 CD2 LEU A 69 5.469 37.621 13.684 1.00 68.82 C ATOM 646 H LEU A 69 8.458 35.426 16.668 1.00 0.00 H ATOM 647 N SER A 70 4.410 36.452 17.762 1.00 59.05 N ATOM 648 CA SER A 70 3.277 36.037 18.590 1.00 58.42 C ATOM 649 C SER A 70 2.184 35.343 17.773 1.00 61.34 C ATOM 650 O SER A 70 1.447 34.522 18.320 1.00 59.72 O ATOM 651 CB SER A 70 2.697 37.235 19.336 1.00 64.49 C ATOM 652 OG SER A 70 1.697 36.839 20.260 1.00 73.84 O ATOM 653 HG SER A 70 0.962 36.386 19.775 1.00 0.00 H ATOM 654 H SER A 70 4.491 37.460 17.518 1.00 0.00 H ATOM 655 N VAL A 71 2.057 35.698 16.478 1.00 58.80 N ATOM 656 CA VAL A 71 1.052 35.138 15.567 1.00 58.20 C ATOM 657 C VAL A 71 1.733 34.590 14.303 1.00 61.54 C ATOM 658 O VAL A 71 2.445 35.327 13.617 1.00 62.38 O ATOM 659 CB VAL A 71 -0.082 36.160 15.232 1.00 64.29 C ATOM 660 CG1 VAL A 71 -1.099 35.572 14.255 1.00 63.84 C ATOM 661 CG2 VAL A 71 -0.788 36.656 16.494 1.00 65.20 C ATOM 662 H VAL A 71 2.712 36.413 16.102 1.00 0.00 H ATOM 663 N ILE A 72 1.507 33.297 14.005 1.00 56.48 N ATOM 664 CA ILE A 72 2.035 32.629 12.812 1.00 55.76 C ATOM 665 C ILE A 72 0.859 32.307 11.884 1.00 59.94 C ATOM 666 O ILE A 72 -0.017 31.516 12.244 1.00 58.41 O ATOM 667 CB ILE A 72 2.916 31.383 13.159 1.00 57.05 C ATOM 668 CG1 ILE A 72 4.196 31.770 13.961 1.00 57.66 C ATOM 669 CG2 ILE A 72 3.251 30.532 11.915 1.00 57.20 C ATOM 670 CD1 ILE A 72 5.317 32.603 13.210 1.00 66.16 C ATOM 671 H ILE A 72 0.923 32.739 14.660 1.00 0.00 H ATOM 672 N ASN A 73 0.832 32.951 10.707 1.00 58.39 N ATOM 673 CA ASN A 73 -0.224 32.769 9.714 1.00 58.96 C ATOM 674 C ASN A 73 0.161 31.750 8.648 1.00 62.29 C ATOM 675 O ASN A 73 1.000 32.035 7.788 1.00 62.57 O ATOM 676 CB ASN A 73 -0.623 34.106 9.083 1.00 61.85 C ATOM 677 CG ASN A 73 -1.555 34.920 9.938 1.00 85.37 C ATOM 678 OD1 ASN A 73 -2.776 34.747 9.903 1.00 80.25 O ATOM 679 ND2 ASN A 73 -1.000 35.838 10.713 1.00 78.29 N ATOM 680 HD22 ASN A 73 0.033 35.958 10.719 1.00 0.00 H ATOM 681 HD21 ASN A 73 -1.597 36.439 11.316 1.00 0.00 H ATOM 682 H ASN A 73 1.603 33.614 10.490 1.00 0.00 H ATOM 683 N LEU A 74 -0.448 30.554 8.717 1.00 57.87 N ATOM 684 CA LEU A 74 -0.219 29.488 7.741 1.00 57.16 C ATOM 685 C LEU A 74 -1.070 29.756 6.491 1.00 63.15 C ATOM 686 O LEU A 74 -1.962 30.608 6.533 1.00 63.89 O ATOM 687 CB LEU A 74 -0.517 28.091 8.334 1.00 55.52 C ATOM 688 CG LEU A 74 0.360 27.587 9.502 1.00 58.64 C ATOM 689 CD1 LEU A 74 -0.053 26.189 9.912 1.00 57.51 C ATOM 690 CD2 LEU A 74 1.849 27.573 9.144 1.00 60.69 C ATOM 691 H LEU A 74 -1.111 30.378 9.499 1.00 0.00 H ATOM 692 N ASP A 75 -0.782 29.054 5.379 1.00 60.48 N ATOM 693 CA ASP A 75 -1.489 29.222 4.103 1.00 62.14 C ATOM 694 C ASP A 75 -2.982 28.842 4.202 1.00 66.63 C ATOM 695 O ASP A 75 -3.283 27.833 4.841 1.00 64.93 O ATOM 696 CB ASP A 75 -0.788 28.419 2.995 1.00 64.05 C ATOM 697 CG ASP A 75 -0.988 28.989 1.606 1.00 78.10 C ATOM 698 OD1 ASP A 75 -1.556 28.278 0.750 1.00 79.37 O ATOM 699 OD2 ASP A 75 -0.582 30.152 1.376 1.00 85.78 O ATOM 700 H ASP A 75 -0.015 28.353 5.426 1.00 0.00 H ATOM 701 N PRO A 76 -3.932 29.611 3.595 1.00 65.37 N ATOM 702 CA PRO A 76 -5.363 29.248 3.711 1.00 65.81 C ATOM 703 C PRO A 76 -5.766 27.915 3.068 1.00 69.23 C ATOM 704 O PRO A 76 -6.862 27.420 3.333 1.00 69.16 O ATOM 705 CB PRO A 76 -6.094 30.435 3.068 1.00 70.05 C ATOM 706 CG PRO A 76 -5.088 31.534 2.999 1.00 75.07 C ATOM 707 CD PRO A 76 -3.769 30.855 2.818 1.00 68.95 C ATOM 708 N GLU A 77 -4.876 27.329 2.243 1.00 65.21 N ATOM 709 CA GLU A 77 -5.078 26.040 1.579 1.00 64.72 C ATOM 710 C GLU A 77 -4.982 24.884 2.590 1.00 66.32 C ATOM 711 O GLU A 77 -5.564 23.824 2.355 1.00 65.95 O ATOM 712 CB GLU A 77 -4.044 25.865 0.452 1.00 66.44 C ATOM 713 CG GLU A 77 -4.475 24.921 -0.661 1.00 78.04 C ATOM 714 CD GLU A 77 -4.131 23.455 -0.468 1.00 96.76 C ATOM 715 OE1 GLU A 77 -2.957 23.148 -0.157 1.00 88.76 O ATOM 716 OE2 GLU A 77 -5.032 22.608 -0.663 1.00 90.92 O ATOM 717 H GLU A 77 -3.981 27.828 2.065 1.00 0.00 H ATOM 718 N ILE A 78 -4.258 25.098 3.713 1.00 61.16 N ATOM 719 CA ILE A 78 -4.061 24.112 4.784 1.00 59.28 C ATOM 720 C ILE A 78 -5.384 23.803 5.485 1.00 62.91 C ATOM 721 O ILE A 78 -6.085 24.719 5.919 1.00 63.37 O ATOM 722 CB ILE A 78 -2.919 24.533 5.768 1.00 61.23 C ATOM 723 CG1 ILE A 78 -1.587 24.866 5.028 1.00 61.77 C ATOM 724 CG2 ILE A 78 -2.698 23.511 6.900 1.00 60.60 C ATOM 725 CD1 ILE A 78 -1.010 23.784 4.015 1.00 68.66 C ATOM 726 H ILE A 78 -3.808 26.029 3.826 1.00 0.00 H ATOM 727 N ASN A 79 -5.728 22.504 5.555 1.00 58.63 N ATOM 728 CA ASN A 79 -6.956 21.998 6.162 1.00 58.73 C ATOM 729 C ASN A 79 -6.958 22.222 7.686 1.00 60.93 C ATOM 730 O ASN A 79 -6.028 21.764 8.359 1.00 58.97 O ATOM 731 CB ASN A 79 -7.151 20.512 5.821 1.00 59.73 C ATOM 732 CG ASN A 79 -8.593 20.073 5.693 1.00 85.67 C ATOM 733 OD1 ASN A 79 -9.483 20.516 6.426 1.00 81.17 O ATOM 734 ND2 ASN A 79 -8.855 19.167 4.765 1.00 78.93 N ATOM 735 HD22 ASN A 79 -8.090 18.808 4.159 1.00 0.00 H ATOM 736 HD21 ASN A 79 -9.826 18.814 4.642 1.00 0.00 H ATOM 737 H ASN A 79 -5.071 21.809 5.147 1.00 0.00 H ATOM 738 N PRO A 80 -7.974 22.938 8.241 1.00 57.99 N ATOM 739 CA PRO A 80 -8.004 23.183 9.697 1.00 57.10 C ATOM 740 C PRO A 80 -8.093 21.917 10.549 1.00 59.34 C ATOM 741 O PRO A 80 -7.443 21.853 11.594 1.00 57.79 O ATOM 742 CB PRO A 80 -9.238 24.074 9.882 1.00 60.80 C ATOM 743 CG PRO A 80 -9.507 24.654 8.538 1.00 66.48 C ATOM 744 CD PRO A 80 -9.129 23.575 7.579 1.00 61.39 C ATOM 745 N GLU A 81 -8.882 20.913 10.101 1.00 56.02 N ATOM 746 CA GLU A 81 -9.031 19.634 10.805 1.00 55.38 C ATOM 747 C GLU A 81 -7.741 18.807 10.751 1.00 56.82 C ATOM 748 O GLU A 81 -7.413 18.127 11.723 1.00 55.79 O ATOM 749 CB GLU A 81 -10.270 18.841 10.328 1.00 58.50 C ATOM 750 CG GLU A 81 -10.252 18.396 8.873 1.00 69.98 C ATOM 751 CD GLU A 81 -11.613 18.163 8.246 1.00 92.94 C ATOM 752 OE1 GLU A 81 -11.932 18.857 7.254 1.00 86.11 O ATOM 753 OE2 GLU A 81 -12.356 17.281 8.734 1.00 89.01 O ATOM 754 H GLU A 81 -9.408 21.055 9.215 1.00 0.00 H ATOM 755 N GLY A 82 -7.015 18.919 9.636 1.00 52.32 N ATOM 756 CA GLY A 82 -5.737 18.253 9.412 1.00 50.73 C ATOM 757 C GLY A 82 -4.661 18.752 10.355 1.00 52.53 C ATOM 758 O GLY A 82 -3.908 17.949 10.912 1.00 51.24 O ATOM 759 H GLY A 82 -7.386 19.523 8.875 1.00 0.00 H ATOM 760 N PHE A 83 -4.602 20.087 10.562 1.00 48.52 N ATOM 761 CA PHE A 83 -3.646 20.712 11.477 1.00 47.16 C ATOM 762 C PHE A 83 -4.000 20.404 12.934 1.00 50.33 C ATOM 763 O PHE A 83 -3.092 20.198 13.741 1.00 49.18 O ATOM 764 CB PHE A 83 -3.534 22.234 11.245 1.00 49.27 C ATOM 765 CG PHE A 83 -2.542 22.915 12.164 1.00 50.00 C ATOM 766 CD1 PHE A 83 -1.177 22.853 11.910 1.00 52.38 C ATOM 767 CD2 PHE A 83 -2.971 23.589 13.302 1.00 52.31 C ATOM 768 CE1 PHE A 83 -0.259 23.454 12.776 1.00 52.77 C ATOM 769 CE2 PHE A 83 -2.052 24.191 14.167 1.00 54.63 C ATOM 770 CZ PHE A 83 -0.702 24.115 13.900 1.00 51.95 C ATOM 771 H PHE A 83 -5.267 20.698 10.047 1.00 0.00 H ATOM 772 N ASN A 84 -5.310 20.384 13.266 1.00 47.33 N ATOM 773 CA ASN A 84 -5.821 20.102 14.611 1.00 47.07 C ATOM 774 C ASN A 84 -5.442 18.691 15.068 1.00 49.94 C ATOM 775 O ASN A 84 -5.015 18.526 16.210 1.00 49.21 O ATOM 776 CB ASN A 84 -7.340 20.308 14.676 1.00 49.13 C ATOM 777 CG ASN A 84 -7.890 20.627 16.053 1.00 70.46 C ATOM 778 OD1 ASN A 84 -7.312 20.291 17.097 1.00 62.17 O ATOM 779 ND2 ASN A 84 -9.056 21.252 16.082 1.00 63.85 N ATOM 780 HD22 ASN A 84 -9.522 21.524 15.193 1.00 0.00 H ATOM 781 HD21 ASN A 84 -9.506 21.471 16.994 1.00 0.00 H ATOM 782 H ASN A 84 -6.003 20.582 12.516 1.00 0.00 H ATOM 783 N ILE A 85 -5.574 17.686 14.169 1.00 46.32 N ATOM 784 CA ILE A 85 -5.218 16.282 14.422 1.00 45.83 C ATOM 785 C ILE A 85 -3.709 16.183 14.711 1.00 47.91 C ATOM 786 O ILE A 85 -3.309 15.515 15.668 1.00 47.32 O ATOM 787 CB ILE A 85 -5.689 15.363 13.246 1.00 49.80 C ATOM 788 CG1 ILE A 85 -7.224 15.157 13.289 1.00 51.84 C ATOM 789 CG2 ILE A 85 -4.954 14.005 13.225 1.00 50.31 C ATOM 790 CD1 ILE A 85 -7.890 14.771 11.935 1.00 59.64 C ATOM 791 H ILE A 85 -5.955 17.925 13.231 1.00 0.00 H ATOM 792 N LEU A 86 -2.893 16.892 13.910 1.00 43.52 N ATOM 793 CA LEU A 86 -1.438 16.929 14.045 1.00 42.26 C ATOM 794 C LEU A 86 -0.961 17.678 15.285 1.00 45.00 C ATOM 795 O LEU A 86 0.034 17.266 15.879 1.00 44.20 O ATOM 796 CB LEU A 86 -0.773 17.476 12.775 1.00 42.21 C ATOM 797 CG LEU A 86 -0.731 16.513 11.590 1.00 47.62 C ATOM 798 CD1 LEU A 86 -0.414 17.242 10.320 1.00 48.09 C ATOM 799 CD2 LEU A 86 0.290 15.415 11.807 1.00 50.18 C ATOM 800 H LEU A 86 -3.325 17.449 13.146 1.00 0.00 H ATOM 801 N LEU A 87 -1.667 18.759 15.681 1.00 41.51 N ATOM 802 CA LEU A 87 -1.363 19.547 16.881 1.00 40.98 C ATOM 803 C LEU A 87 -1.672 18.705 18.126 1.00 44.84 C ATOM 804 O LEU A 87 -0.903 18.734 19.088 1.00 43.67 O ATOM 805 CB LEU A 87 -2.176 20.860 16.895 1.00 41.66 C ATOM 806 CG LEU A 87 -1.915 21.839 18.049 1.00 46.37 C ATOM 807 CD1 LEU A 87 -0.688 22.701 17.783 1.00 46.15 C ATOM 808 CD2 LEU A 87 -3.120 22.724 18.286 1.00 49.84 C ATOM 809 H LEU A 87 -2.477 19.052 15.099 1.00 0.00 H ATOM 810 N ASP A 88 -2.791 17.944 18.085 1.00 42.36 N ATOM 811 CA ASP A 88 -3.232 17.045 19.153 1.00 42.85 C ATOM 812 C ASP A 88 -2.206 15.931 19.346 1.00 45.99 C ATOM 813 O ASP A 88 -1.857 15.616 20.484 1.00 45.68 O ATOM 814 CB ASP A 88 -4.608 16.447 18.824 1.00 46.14 C ATOM 815 CG ASP A 88 -5.635 16.658 19.913 1.00 59.35 C ATOM 816 OD1 ASP A 88 -5.605 15.906 20.911 1.00 60.54 O ATOM 817 OD2 ASP A 88 -6.477 17.569 19.763 1.00 66.79 O ATOM 818 H ASP A 88 -3.381 18.002 17.231 1.00 0.00 H ATOM 819 N PHE A 89 -1.694 15.375 18.225 1.00 42.01 N ATOM 820 CA PHE A 89 -0.679 14.319 18.191 1.00 41.70 C ATOM 821 C PHE A 89 0.633 14.760 18.860 1.00 45.18 C ATOM 822 O PHE A 89 1.290 13.950 19.509 1.00 44.87 O ATOM 823 CB PHE A 89 -0.430 13.856 16.738 1.00 43.55 C ATOM 824 CG PHE A 89 0.889 13.149 16.530 1.00 44.92 C ATOM 825 CD1 PHE A 89 1.067 11.838 16.954 1.00 48.72 C ATOM 826 CD2 PHE A 89 1.971 13.814 15.966 1.00 46.47 C ATOM 827 CE1 PHE A 89 2.300 11.205 16.813 1.00 49.96 C ATOM 828 CE2 PHE A 89 3.204 13.176 15.823 1.00 49.67 C ATOM 829 CZ PHE A 89 3.357 11.874 16.242 1.00 48.59 C ATOM 830 H PHE A 89 -2.050 15.725 17.313 1.00 0.00 H ATOM 831 N MET A 90 1.016 16.029 18.672 1.00 41.65 N ATOM 832 CA MET A 90 2.237 16.623 19.222 1.00 41.25 C ATOM 833 C MET A 90 2.277 16.613 20.750 1.00 45.11 C ATOM 834 O MET A 90 3.347 16.429 21.330 1.00 44.44 O ATOM 835 CB MET A 90 2.388 18.056 18.716 1.00 43.35 C ATOM 836 CG MET A 90 2.824 18.145 17.274 1.00 47.28 C ATOM 837 SD MET A 90 2.800 19.825 16.604 1.00 51.71 S ATOM 838 CE MET A 90 3.553 20.699 17.920 1.00 48.26 C ATOM 839 H MET A 90 0.402 16.637 18.093 1.00 0.00 H ATOM 840 N TYR A 91 1.113 16.809 21.389 1.00 42.45 N ATOM 841 CA TYR A 91 0.958 16.864 22.841 1.00 42.84 C ATOM 842 C TYR A 91 0.486 15.547 23.488 1.00 47.76 C ATOM 843 O TYR A 91 0.528 15.438 24.717 1.00 47.93 O ATOM 844 CB TYR A 91 -0.008 18.003 23.210 1.00 44.28 C ATOM 845 CG TYR A 91 0.586 19.391 23.110 1.00 45.43 C ATOM 846 CD1 TYR A 91 1.237 19.971 24.195 1.00 47.33 C ATOM 847 CD2 TYR A 91 0.446 20.149 21.952 1.00 45.92 C ATOM 848 CE1 TYR A 91 1.755 21.263 24.122 1.00 47.89 C ATOM 849 CE2 TYR A 91 0.964 21.441 21.865 1.00 46.67 C ATOM 850 CZ TYR A 91 1.616 21.995 22.955 1.00 53.70 C ATOM 851 OH TYR A 91 2.133 23.264 22.877 1.00 55.29 O ATOM 852 HH TYR A 91 2.561 23.498 23.739 1.00 0.00 H ATOM 853 H TYR A 91 0.259 16.931 20.808 1.00 0.00 H ATOM 854 N THR A 92 0.020 14.566 22.684 1.00 44.84 N ATOM 855 CA THR A 92 -0.513 13.296 23.207 1.00 45.86 C ATOM 856 C THR A 92 0.198 12.024 22.711 1.00 50.16 C ATOM 857 O THR A 92 0.007 10.964 23.312 1.00 50.76 O ATOM 858 CB THR A 92 -2.029 13.182 22.925 1.00 54.54 C ATOM 859 OG1 THR A 92 -2.254 13.138 21.515 1.00 53.67 O ATOM 860 CG2 THR A 92 -2.850 14.297 23.567 1.00 53.39 C ATOM 861 HG1 THR A 92 -1.904 13.966 21.100 1.00 0.00 H ATOM 862 H THR A 92 0.038 14.713 21.655 1.00 0.00 H ATOM 863 N SER A 93 0.968 12.121 21.598 1.00 46.30 N ATOM 864 CA SER A 93 1.679 11.036 20.887 1.00 46.74 C ATOM 865 C SER A 93 0.706 10.069 20.165 1.00 51.78 C ATOM 866 O SER A 93 1.139 9.062 19.598 1.00 52.23 O ATOM 867 CB SER A 93 2.671 10.298 21.790 1.00 50.82 C ATOM 868 OG SER A 93 2.046 9.326 22.611 1.00 61.24 O ATOM 869 HG SER A 93 1.377 9.767 23.192 1.00 0.00 H ATOM 870 H SER A 93 1.071 13.075 21.196 1.00 0.00 H ATOM 871 N ARG A 94 -0.601 10.409 20.161 1.00 48.50 N ATOM 872 CA ARG A 94 -1.670 9.635 19.531 1.00 49.61 C ATOM 873 C ARG A 94 -2.170 10.344 18.276 1.00 53.28 C ATOM 874 O ARG A 94 -2.615 11.492 18.347 1.00 52.05 O ATOM 875 CB ARG A 94 -2.819 9.376 20.521 1.00 50.99 C ATOM 876 CG ARG A 94 -2.534 8.243 21.495 1.00 62.87 C ATOM 877 CD ARG A 94 -3.591 8.134 22.575 1.00 75.70 C ATOM 878 NE ARG A 94 -3.263 8.948 23.747 1.00 84.99 N ATOM 879 CZ ARG A 94 -3.792 10.140 24.011 1.00 99.13 C ATOM 880 NH1 ARG A 94 -3.433 10.803 25.102 1.00 85.50 N ATOM 881 NH2 ARG A 94 -4.688 10.675 23.190 1.00 86.31 N ATOM 882 HE ARG A 94 -2.568 8.568 24.420 1.00 0.00 H ATOM 883 HH12 ARG A 94 -3.849 11.734 25.305 1.00 0.00 H ATOM 884 HH11 ARG A 94 -2.736 10.391 25.755 1.00 0.00 H ATOM 885 HH22 ARG A 94 -5.097 11.607 23.403 1.00 0.00 H ATOM 886 HH21 ARG A 94 -4.981 10.162 22.334 1.00 0.00 H ATOM 887 H ARG A 94 -0.868 11.290 20.644 1.00 0.00 H ATOM 888 N LEU A 95 -2.071 9.661 17.126 1.00 50.85 N ATOM 889 CA LEU A 95 -2.474 10.183 15.821 1.00 50.59 C ATOM 890 C LEU A 95 -3.780 9.536 15.348 1.00 56.37 C ATOM 891 O LEU A 95 -3.846 8.315 15.188 1.00 57.28 O ATOM 892 CB LEU A 95 -1.330 9.967 14.807 1.00 50.37 C ATOM 893 CG LEU A 95 -1.453 10.594 13.414 1.00 54.83 C ATOM 894 CD1 LEU A 95 -1.336 12.114 13.464 1.00 53.68 C ATOM 895 CD2 LEU A 95 -0.379 10.052 12.503 1.00 57.49 C ATOM 896 H LEU A 95 -1.682 8.697 17.165 1.00 0.00 H ATOM 897 N ASN A 96 -4.819 10.363 15.145 1.00 53.38 N ATOM 898 CA ASN A 96 -6.137 9.916 14.699 1.00 55.06 C ATOM 899 C ASN A 96 -6.187 9.828 13.164 1.00 59.80 C ATOM 900 O ASN A 96 -6.653 10.756 12.496 1.00 59.06 O ATOM 901 CB ASN A 96 -7.239 10.825 15.269 1.00 56.56 C ATOM 902 CG ASN A 96 -8.638 10.307 15.045 1.00 83.51 C ATOM 903 OD1 ASN A 96 -9.159 9.499 15.819 1.00 79.51 O ATOM 904 ND2 ASN A 96 -9.281 10.772 13.985 1.00 76.72 N ATOM 905 HD22 ASN A 96 -8.815 11.452 13.351 1.00 0.00 H ATOM 906 HD21 ASN A 96 -10.252 10.457 13.786 1.00 0.00 H ATOM 907 H ASN A 96 -4.677 11.379 15.315 1.00 0.00 H ATOM 908 N LEU A 97 -5.679 8.709 12.613 1.00 57.69 N ATOM 909 CA LEU A 97 -5.654 8.460 11.171 1.00 58.32 C ATOM 910 C LEU A 97 -6.748 7.495 10.742 1.00 64.59 C ATOM 911 O LEU A 97 -6.719 6.321 11.114 1.00 65.61 O ATOM 912 CB LEU A 97 -4.291 7.913 10.712 1.00 58.17 C ATOM 913 CG LEU A 97 -3.237 8.885 10.194 1.00 61.52 C ATOM 914 CD1 LEU A 97 -2.001 8.123 9.762 1.00 62.16 C ATOM 915 CD2 LEU A 97 -3.750 9.698 9.014 1.00 64.03 C ATOM 916 H LEU A 97 -5.284 7.984 13.245 1.00 0.00 H ATOM 917 N ARG A 98 -7.694 7.989 9.938 1.00 61.77 N ATOM 918 CA ARG A 98 -8.799 7.207 9.386 1.00 63.94 C ATOM 919 C ARG A 98 -8.970 7.538 7.901 1.00 68.10 C ATOM 920 O ARG A 98 -8.462 8.567 7.450 1.00 66.12 O ATOM 921 CB ARG A 98 -10.095 7.440 10.187 1.00 65.65 C ATOM 922 CG ARG A 98 -10.447 6.291 11.139 1.00 79.63 C ATOM 923 CD ARG A 98 -9.742 6.376 12.487 1.00 90.23 C ATOM 924 NE ARG A 98 -9.214 5.075 12.907 1.00100.88 N ATOM 925 CZ ARG A 98 -8.060 4.899 13.547 1.00113.85 C ATOM 926 NH1 ARG A 98 -7.289 5.940 13.840 1.00 98.62 N ATOM 927 NH2 ARG A 98 -7.659 3.680 13.881 1.00101.84 N ATOM 928 HE ARG A 98 -9.780 4.230 12.690 1.00 0.00 H ATOM 929 HH12 ARG A 98 -6.389 5.796 14.340 1.00 0.00 H ATOM 930 HH11 ARG A 98 -7.586 6.899 13.569 1.00 0.00 H ATOM 931 HH22 ARG A 98 -6.757 3.548 14.381 1.00 0.00 H ATOM 932 HH21 ARG A 98 -8.247 2.856 13.643 1.00 0.00 H ATOM 933 H ARG A 98 -7.641 8.997 9.688 1.00 0.00 H ATOM 934 N GLU A 99 -9.664 6.663 7.140 1.00 66.84 N ATOM 935 CA GLU A 99 -9.890 6.810 5.694 1.00 67.49 C ATOM 936 C GLU A 99 -10.523 8.148 5.269 1.00 70.42 C ATOM 937 O GLU A 99 -10.294 8.596 4.144 1.00 69.93 O ATOM 938 CB GLU A 99 -10.699 5.631 5.133 1.00 71.74 C ATOM 939 CG GLU A 99 -9.859 4.628 4.355 1.00 84.03 C ATOM 940 CD GLU A 99 -9.224 5.137 3.073 1.00105.62 C ATOM 941 OE1 GLU A 99 -9.967 5.605 2.180 1.00101.70 O ATOM 942 OE2 GLU A 99 -7.980 5.050 2.955 1.00 98.89 O ATOM 943 H GLU A 99 -10.067 5.827 7.610 1.00 0.00 H ATOM 944 N GLY A 100 -11.288 8.766 6.168 1.00 66.39 N ATOM 945 CA GLY A 100 -11.943 10.046 5.926 1.00 65.79 C ATOM 946 C GLY A 100 -11.046 11.260 6.088 1.00 66.91 C ATOM 947 O GLY A 100 -11.397 12.342 5.611 1.00 66.38 O ATOM 948 H GLY A 100 -11.425 8.311 7.093 1.00 0.00 H ATOM 949 N ASN A 101 -9.883 11.099 6.763 1.00 61.46 N ATOM 950 CA ASN A 101 -8.942 12.200 7.007 1.00 59.07 C ATOM 951 C ASN A 101 -7.484 11.921 6.578 1.00 61.55 C ATOM 952 O ASN A 101 -6.665 12.840 6.644 1.00 59.96 O ATOM 953 CB ASN A 101 -8.995 12.653 8.482 1.00 58.44 C ATOM 954 CG ASN A 101 -8.663 11.599 9.521 1.00 79.89 C ATOM 955 OD1 ASN A 101 -7.709 10.819 9.400 1.00 72.67 O ATOM 956 ND2 ASN A 101 -9.405 11.609 10.617 1.00 72.86 N ATOM 957 HD22 ASN A 101 -10.202 12.272 10.699 1.00 0.00 H ATOM 958 HD21 ASN A 101 -9.191 10.954 11.396 1.00 0.00 H ATOM 959 H ASN A 101 -9.646 10.153 7.125 1.00 0.00 H ATOM 960 N ILE A 102 -7.167 10.678 6.138 1.00 58.59 N ATOM 961 CA ILE A 102 -5.822 10.235 5.721 1.00 57.78 C ATOM 962 C ILE A 102 -5.141 11.225 4.754 1.00 60.73 C ATOM 963 O ILE A 102 -3.993 11.598 4.997 1.00 59.20 O ATOM 964 CB ILE A 102 -5.792 8.762 5.176 1.00 62.65 C ATOM 965 CG1 ILE A 102 -4.397 8.345 4.622 1.00 63.04 C ATOM 966 CG2 ILE A 102 -6.883 8.494 4.130 1.00 65.22 C ATOM 967 CD1 ILE A 102 -3.248 8.202 5.626 1.00 69.39 C ATOM 968 H ILE A 102 -7.935 9.979 6.090 1.00 0.00 H ATOM 969 N MET A 103 -5.847 11.658 3.693 1.00 57.95 N ATOM 970 CA MET A 103 -5.314 12.587 2.694 1.00 57.39 C ATOM 971 C MET A 103 -5.057 13.981 3.258 1.00 59.05 C ATOM 972 O MET A 103 -4.009 14.566 2.974 1.00 57.68 O ATOM 973 CB MET A 103 -6.199 12.635 1.436 1.00 61.42 C ATOM 974 CG MET A 103 -6.274 11.308 0.674 1.00 66.84 C ATOM 975 SD MET A 103 -4.712 10.389 0.513 1.00 71.03 S ATOM 976 CE MET A 103 -3.822 11.440 -0.616 1.00 67.54 C ATOM 977 H MET A 103 -6.822 11.315 3.576 1.00 0.00 H ATOM 978 N ALA A 104 -5.992 14.490 4.084 1.00 55.10 N ATOM 979 CA ALA A 104 -5.890 15.795 4.737 1.00 53.75 C ATOM 980 C ALA A 104 -4.735 15.826 5.743 1.00 55.92 C ATOM 981 O ALA A 104 -4.051 16.843 5.833 1.00 54.83 O ATOM 982 CB ALA A 104 -7.200 16.143 5.426 1.00 55.03 C ATOM 983 H ALA A 104 -6.841 13.918 4.269 1.00 0.00 H ATOM 984 N VAL A 105 -4.500 14.713 6.473 1.00 52.02 N ATOM 985 CA VAL A 105 -3.414 14.601 7.454 1.00 50.61 C ATOM 986 C VAL A 105 -2.050 14.486 6.740 1.00 54.22 C ATOM 987 O VAL A 105 -1.117 15.202 7.109 1.00 52.87 O ATOM 988 CB VAL A 105 -3.663 13.480 8.507 1.00 54.65 C ATOM 989 CG1 VAL A 105 -2.455 13.279 9.424 1.00 53.43 C ATOM 990 CG2 VAL A 105 -4.912 13.770 9.338 1.00 54.71 C ATOM 991 H VAL A 105 -5.122 13.892 6.332 1.00 0.00 H ATOM 992 N MET A 106 -1.956 13.617 5.705 1.00 51.74 N ATOM 993 CA MET A 106 -0.744 13.386 4.904 1.00 51.97 C ATOM 994 C MET A 106 -0.228 14.677 4.253 1.00 55.12 C ATOM 995 O MET A 106 0.969 14.952 4.332 1.00 54.39 O ATOM 996 CB MET A 106 -0.994 12.303 3.840 1.00 56.02 C ATOM 997 CG MET A 106 0.270 11.692 3.274 1.00 60.56 C ATOM 998 SD MET A 106 -0.104 10.400 2.067 1.00 67.16 S ATOM 999 CE MET A 106 1.263 9.304 2.339 1.00 64.66 C ATOM 1000 H MET A 106 -2.806 13.071 5.458 1.00 0.00 H ATOM 1001 N ALA A 107 -1.132 15.468 3.636 1.00 51.70 N ATOM 1002 CA ALA A 107 -0.804 16.737 2.979 1.00 51.42 C ATOM 1003 C ALA A 107 -0.324 17.797 3.974 1.00 53.46 C ATOM 1004 O ALA A 107 0.619 18.527 3.667 1.00 53.23 O ATOM 1005 CB ALA A 107 -2.003 17.251 2.197 1.00 53.08 C ATOM 1006 H ALA A 107 -2.124 15.157 3.626 1.00 0.00 H ATOM 1007 N THR A 108 -0.961 17.869 5.164 1.00 48.82 N ATOM 1008 CA THR A 108 -0.610 18.816 6.229 1.00 47.37 C ATOM 1009 C THR A 108 0.738 18.442 6.864 1.00 49.64 C ATOM 1010 O THR A 108 1.540 19.334 7.137 1.00 48.97 O ATOM 1011 CB THR A 108 -1.767 18.968 7.241 1.00 55.87 C ATOM 1012 OG1 THR A 108 -2.985 19.204 6.534 1.00 56.83 O ATOM 1013 CG2 THR A 108 -1.544 20.110 8.234 1.00 53.95 C ATOM 1014 HG1 THR A 108 -3.169 18.440 5.932 1.00 0.00 H ATOM 1015 H THR A 108 -1.749 17.212 5.336 1.00 0.00 H ATOM 1016 N ALA A 109 0.998 17.130 7.059 1.00 45.65 N ATOM 1017 CA ALA A 109 2.253 16.616 7.625 1.00 45.06 C ATOM 1018 C ALA A 109 3.444 16.899 6.710 1.00 49.26 C ATOM 1019 O ALA A 109 4.552 17.112 7.205 1.00 48.50 O ATOM 1020 CB ALA A 109 2.142 15.125 7.896 1.00 46.20 C ATOM 1021 H ALA A 109 0.265 16.442 6.792 1.00 0.00 H ATOM 1022 N MET A 110 3.208 16.917 5.381 1.00 46.94 N ATOM 1023 CA MET A 110 4.211 17.224 4.358 1.00 47.86 C ATOM 1024 C MET A 110 4.610 18.703 4.445 1.00 51.26 C ATOM 1025 O MET A 110 5.802 19.013 4.417 1.00 51.02 O ATOM 1026 CB MET A 110 3.668 16.905 2.959 1.00 51.59 C ATOM 1027 CG MET A 110 3.776 15.446 2.583 1.00 56.36 C ATOM 1028 SD MET A 110 3.321 15.155 0.858 1.00 62.55 S ATOM 1029 CE MET A 110 4.762 15.833 0.029 1.00 60.43 C ATOM 1030 H MET A 110 2.244 16.697 5.060 1.00 0.00 H ATOM 1031 N TYR A 111 3.606 19.602 4.571 1.00 47.69 N ATOM 1032 CA TYR A 111 3.767 21.055 4.696 1.00 47.72 C ATOM 1033 C TYR A 111 4.471 21.420 6.008 1.00 50.48 C ATOM 1034 O TYR A 111 5.331 22.303 6.009 1.00 50.58 O ATOM 1035 CB TYR A 111 2.394 21.752 4.592 1.00 49.21 C ATOM 1036 CG TYR A 111 2.408 23.245 4.854 1.00 51.51 C ATOM 1037 CD1 TYR A 111 2.756 24.146 3.851 1.00 54.88 C ATOM 1038 CD2 TYR A 111 2.003 23.761 6.082 1.00 51.51 C ATOM 1039 CE1 TYR A 111 2.750 25.522 4.080 1.00 56.37 C ATOM 1040 CE2 TYR A 111 1.986 25.135 6.320 1.00 52.99 C ATOM 1041 CZ TYR A 111 2.362 26.012 5.316 1.00 62.03 C ATOM 1042 OH TYR A 111 2.348 27.366 5.548 1.00 64.21 O ATOM 1043 HH TYR A 111 2.643 27.843 4.732 1.00 0.00 H ATOM 1044 H TYR A 111 2.635 19.230 4.580 1.00 0.00 H ATOM 1045 N LEU A 112 4.104 20.743 7.116 1.00 45.72 N ATOM 1046 CA LEU A 112 4.694 20.973 8.439 1.00 44.69 C ATOM 1047 C LEU A 112 6.050 20.269 8.609 1.00 48.39 C ATOM 1048 O LEU A 112 6.714 20.465 9.628 1.00 47.48 O ATOM 1049 CB LEU A 112 3.724 20.564 9.569 1.00 43.79 C ATOM 1050 CG LEU A 112 2.392 21.316 9.677 1.00 48.48 C ATOM 1051 CD1 LEU A 112 1.461 20.615 10.644 1.00 48.08 C ATOM 1052 CD2 LEU A 112 2.588 22.771 10.083 1.00 51.00 C ATOM 1053 H LEU A 112 3.363 20.019 7.027 1.00 0.00 H ATOM 1054 N GLN A 113 6.463 19.468 7.600 1.00 45.67 N ATOM 1055 CA GLN A 113 7.717 18.702 7.560 1.00 46.07 C ATOM 1056 C GLN A 113 7.819 17.720 8.738 1.00 48.81 C ATOM 1057 O GLN A 113 8.731 17.811 9.562 1.00 48.12 O ATOM 1058 CB GLN A 113 8.957 19.617 7.437 1.00 48.20 C ATOM 1059 CG GLN A 113 9.025 20.424 6.145 1.00 63.53 C ATOM 1060 CD GLN A 113 10.003 21.568 6.252 1.00 81.91 C ATOM 1061 OE1 GLN A 113 11.217 21.378 6.386 1.00 78.44 O ATOM 1062 NE2 GLN A 113 9.494 22.788 6.181 1.00 73.23 N ATOM 1063 HE22 GLN A 113 8.468 22.918 6.068 1.00 0.00 H ATOM 1064 HE21 GLN A 113 10.120 23.617 6.238 1.00 0.00 H ATOM 1065 H GLN A 113 5.834 19.387 6.775 1.00 0.00 H ATOM 1066 N MET A 114 6.838 16.807 8.825 1.00 44.91 N ATOM 1067 CA MET A 114 6.748 15.768 9.853 1.00 44.26 C ATOM 1068 C MET A 114 6.936 14.426 9.133 1.00 49.48 C ATOM 1069 O MET A 114 5.964 13.724 8.842 1.00 48.99 O ATOM 1070 CB MET A 114 5.400 15.856 10.607 1.00 45.52 C ATOM 1071 CG MET A 114 5.201 17.171 11.352 1.00 48.11 C ATOM 1072 SD MET A 114 3.574 17.365 12.128 1.00 51.42 S ATOM 1073 CE MET A 114 3.826 16.471 13.649 1.00 47.81 C ATOM 1074 H MET A 114 6.085 16.840 8.108 1.00 0.00 H ATOM 1075 N GLU A 115 8.207 14.120 8.792 1.00 47.74 N ATOM 1076 CA GLU A 115 8.661 12.949 8.027 1.00 49.45 C ATOM 1077 C GLU A 115 8.160 11.600 8.546 1.00 53.76 C ATOM 1078 O GLU A 115 7.742 10.771 7.737 1.00 54.27 O ATOM 1079 CB GLU A 115 10.193 12.929 7.898 1.00 52.26 C ATOM 1080 CG GLU A 115 10.753 14.048 7.031 1.00 64.01 C ATOM 1081 CD GLU A 115 12.264 14.131 6.906 1.00 87.00 C ATOM 1082 OE1 GLU A 115 12.978 13.553 7.758 1.00 83.58 O ATOM 1083 OE2 GLU A 115 12.735 14.807 5.963 1.00 81.37 O ATOM 1084 H GLU A 115 8.944 14.784 9.104 1.00 0.00 H ATOM 1085 N HIS A 116 8.205 11.375 9.874 1.00 50.13 N ATOM 1086 CA HIS A 116 7.751 10.118 10.479 1.00 50.72 C ATOM 1087 C HIS A 116 6.231 9.936 10.399 1.00 53.02 C ATOM 1088 O HIS A 116 5.763 8.800 10.311 1.00 53.47 O ATOM 1089 CB HIS A 116 8.269 9.955 11.915 1.00 51.51 C ATOM 1090 CG HIS A 116 9.762 9.976 12.033 1.00 56.28 C ATOM 1091 ND1 HIS A 116 10.418 11.001 12.694 1.00 57.37 N ATOM 1092 CD2 HIS A 116 10.681 9.097 11.567 1.00 60.28 C ATOM 1093 CE1 HIS A 116 11.707 10.712 12.613 1.00 58.39 C ATOM 1094 NE2 HIS A 116 11.915 9.578 11.942 1.00 60.53 N ATOM 1095 H HIS A 116 8.576 12.122 10.495 1.00 0.00 H ATOM 1096 N VAL A 117 5.470 11.052 10.399 1.00 47.84 N ATOM 1097 CA VAL A 117 4.008 11.047 10.261 1.00 47.19 C ATOM 1098 C VAL A 117 3.668 10.670 8.807 1.00 51.71 C ATOM 1099 O VAL A 117 2.804 9.819 8.584 1.00 52.06 O ATOM 1100 CB VAL A 117 3.352 12.387 10.700 1.00 49.67 C ATOM 1101 CG1 VAL A 117 1.841 12.364 10.484 1.00 49.45 C ATOM 1102 CG2 VAL A 117 3.673 12.708 12.157 1.00 48.59 C ATOM 1103 H VAL A 117 5.948 11.970 10.503 1.00 0.00 H ATOM 1104 N VAL A 118 4.395 11.270 7.833 1.00 48.10 N ATOM 1105 CA VAL A 118 4.273 11.007 6.390 1.00 49.00 C ATOM 1106 C VAL A 118 4.570 9.515 6.130 1.00 54.27 C ATOM 1107 O VAL A 118 3.848 8.871 5.365 1.00 54.73 O ATOM 1108 CB VAL A 118 5.187 11.960 5.559 1.00 53.04 C ATOM 1109 CG1 VAL A 118 5.238 11.564 4.085 1.00 54.51 C ATOM 1110 CG2 VAL A 118 4.742 13.413 5.699 1.00 51.46 C ATOM 1111 H VAL A 118 5.098 11.976 8.130 1.00 0.00 H ATOM 1112 N ASP A 119 5.600 8.973 6.820 1.00 51.30 N ATOM 1113 CA ASP A 119 6.028 7.572 6.766 1.00 53.12 C ATOM 1114 C ASP A 119 4.923 6.626 7.261 1.00 56.87 C ATOM 1115 O ASP A 119 4.744 5.556 6.682 1.00 58.28 O ATOM 1116 CB ASP A 119 7.322 7.380 7.582 1.00 55.51 C ATOM 1117 CG ASP A 119 7.835 5.953 7.649 1.00 69.24 C ATOM 1118 OD1 ASP A 119 8.188 5.397 6.585 1.00 71.82 O ATOM 1119 OD2 ASP A 119 7.911 5.404 8.768 1.00 75.89 O ATOM 1120 H ASP A 119 6.137 9.608 7.445 1.00 0.00 H ATOM 1121 N THR A 120 4.187 7.019 8.324 1.00 51.59 N ATOM 1122 CA THR A 120 3.088 6.215 8.871 1.00 51.76 C ATOM 1123 C THR A 120 1.842 6.333 7.990 1.00 55.53 C ATOM 1124 O THR A 120 1.093 5.362 7.868 1.00 56.39 O ATOM 1125 CB THR A 120 2.832 6.514 10.355 1.00 59.09 C ATOM 1126 OG1 THR A 120 2.619 7.913 10.539 1.00 57.94 O ATOM 1127 CG2 THR A 120 3.963 6.025 11.250 1.00 58.02 C ATOM 1128 HG1 THR A 120 3.421 8.410 10.239 1.00 0.00 H ATOM 1129 H THR A 120 4.409 7.930 8.774 1.00 0.00 H ATOM 1130 N CYS A 121 1.647 7.508 7.347 1.00 51.07 N ATOM 1131 CA CYS A 121 0.554 7.773 6.403 1.00 51.25 C ATOM 1132 C CYS A 121 0.758 6.915 5.145 1.00 57.07 C ATOM 1133 O CYS A 121 -0.217 6.477 4.533 1.00 57.51 O ATOM 1134 CB CYS A 121 0.485 9.258 6.056 1.00 50.14 C ATOM 1135 SG CYS A 121 -0.244 10.298 7.348 1.00 52.17 S ATOM 1136 H CYS A 121 2.320 8.279 7.535 1.00 0.00 H ATOM 1137 N ARG A 122 2.038 6.678 4.780 1.00 54.66 N ATOM 1138 CA ARG A 122 2.495 5.852 3.659 1.00 56.87 C ATOM 1139 C ARG A 122 2.139 4.386 3.947 1.00 62.63 C ATOM 1140 O ARG A 122 1.682 3.678 3.050 1.00 63.99 O ATOM 1141 CB ARG A 122 4.022 5.990 3.520 1.00 57.96 C ATOM 1142 CG ARG A 122 4.564 5.931 2.098 1.00 71.18 C ATOM 1143 CD ARG A 122 4.914 7.309 1.552 1.00 80.87 C ATOM 1144 NE ARG A 122 5.852 8.045 2.407 1.00 88.10 N ATOM 1145 CZ ARG A 122 7.175 8.012 2.283 1.00103.88 C ATOM 1146 NH1 ARG A 122 7.743 7.276 1.335 1.00 94.72 N ATOM 1147 NH2 ARG A 122 7.942 8.714 3.106 1.00 89.00 N ATOM 1148 HE ARG A 122 5.453 8.635 3.165 1.00 0.00 H ATOM 1149 HH12 ARG A 122 8.779 7.255 1.244 1.00 0.00 H ATOM 1150 HH11 ARG A 122 7.152 6.721 0.684 1.00 0.00 H ATOM 1151 HH22 ARG A 122 8.977 8.685 3.005 1.00 0.00 H ATOM 1152 HH21 ARG A 122 7.509 9.294 3.853 1.00 0.00 H ATOM 1153 H ARG A 122 2.777 7.130 5.356 1.00 0.00 H ATOM 1154 N LYS A 123 2.340 3.949 5.209 1.00 59.08 N ATOM 1155 CA LYS A 123 2.058 2.596 5.699 1.00 60.84 C ATOM 1156 C LYS A 123 0.556 2.343 5.882 1.00 65.06 C ATOM 1157 O LYS A 123 0.122 1.196 5.773 1.00 66.63 O ATOM 1158 CB LYS A 123 2.787 2.342 7.031 1.00 62.91 C ATOM 1159 CG LYS A 123 4.298 2.183 6.912 1.00 77.36 C ATOM 1160 CD LYS A 123 4.946 2.103 8.287 1.00 86.45 C ATOM 1161 CE LYS A 123 6.451 2.042 8.214 1.00 97.52 C ATOM 1162 NZ LYS A 123 7.064 2.045 9.568 1.00105.33 N ATOM 1163 HZ1 LYS A 123 6.794 2.916 10.068 1.00 0.00 H ATOM 1164 HZ2 LYS A 123 6.727 1.219 10.102 1.00 0.00 H ATOM 1165 HZ3 LYS A 123 8.099 2.002 9.479 1.00 0.00 H ATOM 1166 H LYS A 123 2.728 4.631 5.892 1.00 0.00 H ATOM 1167 N PHE A 124 -0.225 3.406 6.183 1.00 60.18 N ATOM 1168 CA PHE A 124 -1.670 3.335 6.419 1.00 60.49 C ATOM 1169 C PHE A 124 -2.465 2.899 5.184 1.00 66.98 C ATOM 1170 O PHE A 124 -3.204 1.917 5.266 1.00 68.43 O ATOM 1171 CB PHE A 124 -2.207 4.660 7.001 1.00 59.96 C ATOM 1172 CG PHE A 124 -3.632 4.595 7.505 1.00 61.92 C ATOM 1173 CD1 PHE A 124 -3.918 4.094 8.770 1.00 65.23 C ATOM 1174 CD2 PHE A 124 -4.687 5.044 6.719 1.00 64.47 C ATOM 1175 CE1 PHE A 124 -5.236 4.029 9.233 1.00 66.79 C ATOM 1176 CE2 PHE A 124 -6.004 4.983 7.184 1.00 67.97 C ATOM 1177 CZ PHE A 124 -6.269 4.474 8.437 1.00 66.31 C ATOM 1178 H PHE A 124 0.231 4.338 6.252 1.00 0.00 H ATOM 1179 N ILE A 125 -2.312 3.612 4.049 1.00 63.92 N ATOM 1180 CA ILE A 125 -3.025 3.291 2.804 1.00 65.93 C ATOM 1181 C ILE A 125 -2.447 2.041 2.113 1.00 72.55 C ATOM 1182 O ILE A 125 -3.130 1.444 1.277 1.00 74.23 O ATOM 1183 CB ILE A 125 -3.172 4.494 1.834 1.00 68.29 C ATOM 1184 CG1 ILE A 125 -1.851 5.286 1.666 1.00 67.48 C ATOM 1185 CG2 ILE A 125 -4.337 5.390 2.277 1.00 67.95 C ATOM 1186 CD1 ILE A 125 -1.823 6.265 0.484 1.00 75.68 C ATOM 1187 H ILE A 125 -1.662 4.424 4.055 1.00 0.00 H ATOM 1188 N LYS A 126 -1.219 1.626 2.490 1.00 69.36 N ATOM 1189 CA LYS A 126 -0.568 0.419 1.975 1.00 71.96 C ATOM 1190 C LYS A 126 -1.222 -0.822 2.611 1.00 77.82 C ATOM 1191 O LYS A 126 -1.368 -1.849 1.945 1.00 80.27 O ATOM 1192 CB LYS A 126 0.944 0.454 2.270 1.00 74.16 C ATOM 1193 CG LYS A 126 1.751 -0.613 1.536 1.00 91.27 C ATOM 1194 CD LYS A 126 3.245 -0.492 1.812 1.00101.12 C ATOM 1195 CE LYS A 126 4.034 -1.666 1.276 1.00115.44 C ATOM 1196 NZ LYS A 126 4.086 -1.684 -0.211 1.00126.32 N ATOM 1197 HZ1 LYS A 126 3.119 -1.746 -0.590 1.00 0.00 H ATOM 1198 HZ2 LYS A 126 4.537 -0.811 -0.551 1.00 0.00 H ATOM 1199 HZ3 LYS A 126 4.637 -2.507 -0.527 1.00 0.00 H ATOM 1200 H LYS A 126 -0.704 2.198 3.189 1.00 0.00 H ATOM 1201 N ALA A 127 -1.624 -0.708 3.895 1.00 73.11 N ATOM 1202 CA ALA A 127 -2.266 -1.769 4.675 1.00 74.70 C ATOM 1203 C ALA A 127 -3.792 -1.804 4.507 1.00 79.36 C ATOM 1204 O ALA A 127 -4.384 -2.881 4.604 1.00 81.60 O ATOM 1205 CB ALA A 127 -1.907 -1.622 6.146 1.00 73.88 C ATOM 1206 H ALA A 127 -1.465 0.205 4.367 1.00 0.00 H ATOM 1207 N SER A 128 -4.424 -0.634 4.269 1.00 73.89 N ATOM 1208 CA SER A 128 -5.874 -0.512 4.096 1.00105.01 C ATOM 1209 C SER A 128 -6.290 -0.656 2.632 1.00134.09 C ATOM 1210 O SER A 128 -5.726 -0.003 1.756 1.00 94.58 O ATOM 1211 CB SER A 128 -6.376 0.813 4.665 1.00105.91 C ATOM 1212 OG SER A 128 -6.117 0.911 6.056 1.00113.10 O ATOM 1213 HG SER A 128 -5.142 0.850 6.214 1.00 0.00 H ATOM 1214 H SER A 128 -3.848 0.230 4.205 1.00 0.00 H TER 1215 SER A 128 ATOM 1216 N SER B 7 -8.976 3.317 16.731 1.00 90.52 N ATOM 1217 CA SER B 7 -9.329 4.606 17.311 1.00 88.31 C ATOM 1218 C SER B 7 -8.234 5.642 17.033 1.00 87.91 C ATOM 1219 O SER B 7 -8.479 6.595 16.292 1.00 87.00 O ATOM 1220 CB SER B 7 -9.596 4.464 18.808 1.00 92.07 C ATOM 1221 OG SER B 7 -10.005 5.691 19.390 1.00 99.81 O ATOM 1222 HG SER B 7 -10.168 5.558 20.357 1.00 0.00 H ATOM 1223 HN3 SER B 7 -8.083 2.984 17.147 1.00 0.00 H ATOM 1224 HN2 SER B 7 -8.863 3.420 15.702 1.00 0.00 H ATOM 1225 HN1 SER B 7 -9.731 2.630 16.931 1.00 0.00 H ATOM 1226 N GLN B 8 -7.029 5.445 17.613 1.00 81.57 N ATOM 1227 CA GLN B 8 -5.865 6.325 17.459 1.00 77.68 C ATOM 1228 C GLN B 8 -4.567 5.516 17.456 1.00 79.63 C ATOM 1229 O GLN B 8 -4.406 4.607 18.275 1.00 79.87 O ATOM 1230 CB GLN B 8 -5.820 7.386 18.574 1.00 76.79 C ATOM 1231 CG GLN B 8 -6.738 8.586 18.338 1.00 93.78 C ATOM 1232 CD GLN B 8 -6.678 9.612 19.446 1.00112.54 C ATOM 1233 OE1 GLN B 8 -6.736 9.294 20.641 1.00108.43 O ATOM 1234 NE2 GLN B 8 -6.611 10.879 19.068 1.00103.62 N ATOM 1235 HE22 GLN B 8 -6.563 11.118 18.057 1.00 0.00 H ATOM 1236 HE21 GLN B 8 -6.606 11.635 19.782 1.00 0.00 H ATOM 1237 H GLN B 8 -6.918 4.604 18.215 1.00 0.00 H ATOM 1238 N ILE B 9 -3.641 5.855 16.540 1.00 74.09 N ATOM 1239 CA ILE B 9 -2.340 5.191 16.409 1.00 72.81 C ATOM 1240 C ILE B 9 -1.377 5.758 17.453 1.00 72.93 C ATOM 1241 O ILE B 9 -1.164 6.971 17.500 1.00 70.28 O ATOM 1242 CB ILE B 9 -1.785 5.276 14.956 1.00 76.16 C ATOM 1243 CG1 ILE B 9 -2.808 4.715 13.944 1.00 79.61 C ATOM 1244 CG2 ILE B 9 -0.426 4.558 14.829 1.00 76.59 C ATOM 1245 CD1 ILE B 9 -2.727 5.290 12.576 1.00 86.66 C ATOM 1246 H ILE B 9 -3.861 6.634 15.887 1.00 0.00 H ATOM 1247 N GLN B 10 -0.811 4.876 18.292 1.00 69.09 N ATOM 1248 CA GLN B 10 0.110 5.257 19.362 1.00 66.32 C ATOM 1249 C GLN B 10 1.573 5.218 18.930 1.00 68.17 C ATOM 1250 O GLN B 10 2.054 4.191 18.447 1.00 69.19 O ATOM 1251 CB GLN B 10 -0.113 4.401 20.623 1.00 68.69 C ATOM 1252 CG GLN B 10 -1.467 4.623 21.294 1.00 87.01 C ATOM 1253 CD GLN B 10 -1.549 3.961 22.645 1.00108.65 C ATOM 1254 OE1 GLN B 10 -1.327 4.591 23.684 1.00103.06 O ATOM 1255 NE2 GLN B 10 -1.884 2.679 22.664 1.00103.61 N ATOM 1256 HE22 GLN B 10 -2.065 2.176 21.772 1.00 0.00 H ATOM 1257 HE21 GLN B 10 -1.966 2.176 23.571 1.00 0.00 H ATOM 1258 H GLN B 10 -1.040 3.868 18.175 1.00 0.00 H ATOM 1259 N PHE B 11 2.273 6.350 19.110 1.00 61.76 N ATOM 1260 CA PHE B 11 3.694 6.509 18.805 1.00 60.10 C ATOM 1261 C PHE B 11 4.442 6.404 20.139 1.00 62.51 C ATOM 1262 O PHE B 11 4.429 7.343 20.940 1.00 60.38 O ATOM 1263 CB PHE B 11 3.954 7.858 18.105 1.00 60.20 C ATOM 1264 CG PHE B 11 3.588 7.942 16.639 1.00 62.81 C ATOM 1265 CD1 PHE B 11 2.262 7.842 16.227 1.00 67.19 C ATOM 1266 CD2 PHE B 11 4.559 8.196 15.678 1.00 64.63 C ATOM 1267 CE1 PHE B 11 1.921 7.953 14.876 1.00 69.28 C ATOM 1268 CE2 PHE B 11 4.216 8.308 14.326 1.00 68.67 C ATOM 1269 CZ PHE B 11 2.899 8.191 13.936 1.00 68.08 C ATOM 1270 H PHE B 11 1.767 7.174 19.494 1.00 0.00 H ATOM 1271 N THR B 12 5.031 5.223 20.394 1.00 60.12 N ATOM 1272 CA THR B 12 5.735 4.865 21.632 1.00 59.25 C ATOM 1273 C THR B 12 6.980 5.707 21.937 1.00 60.90 C ATOM 1274 O THR B 12 7.234 5.987 23.110 1.00 59.22 O ATOM 1275 CB THR B 12 6.080 3.367 21.648 1.00 69.24 C ATOM 1276 OG1 THR B 12 6.726 3.009 20.424 1.00 68.83 O ATOM 1277 CG2 THR B 12 4.858 2.485 21.873 1.00 70.28 C ATOM 1278 HG1 THR B 12 6.946 2.044 20.438 1.00 0.00 H ATOM 1279 H THR B 12 4.984 4.499 19.649 1.00 0.00 H ATOM 1280 N ARG B 13 7.756 6.096 20.906 1.00 57.30 N ATOM 1281 CA ARG B 13 8.992 6.869 21.095 1.00 55.63 C ATOM 1282 C ARG B 13 8.859 8.380 20.788 1.00 57.28 C ATOM 1283 O ARG B 13 9.871 9.088 20.816 1.00 55.88 O ATOM 1284 CB ARG B 13 10.171 6.244 20.316 1.00 57.67 C ATOM 1285 CG ARG B 13 9.914 5.972 18.831 1.00 70.99 C ATOM 1286 CD ARG B 13 11.079 5.254 18.164 1.00 83.84 C ATOM 1287 NE ARG B 13 11.357 3.945 18.766 1.00 94.61 N ATOM 1288 CZ ARG B 13 10.799 2.801 18.380 1.00111.79 C ATOM 1289 NH1 ARG B 13 9.921 2.784 17.384 1.00100.23 N ATOM 1290 NH2 ARG B 13 11.115 1.665 18.987 1.00100.34 N ATOM 1291 HE ARG B 13 12.039 3.909 19.550 1.00 0.00 H ATOM 1292 HH12 ARG B 13 9.489 1.886 17.087 1.00 0.00 H ATOM 1293 HH11 ARG B 13 9.666 3.669 16.901 1.00 0.00 H ATOM 1294 HH22 ARG B 13 10.676 0.773 18.682 1.00 0.00 H ATOM 1295 HH21 ARG B 13 11.802 1.666 19.768 1.00 0.00 H ATOM 1296 H ARG B 13 7.469 5.839 19.940 1.00 0.00 H ATOM 1297 N HIS B 14 7.624 8.878 20.547 1.00 53.10 N ATOM 1298 CA HIS B 14 7.369 10.295 20.260 1.00 51.24 C ATOM 1299 C HIS B 14 7.719 11.205 21.439 1.00 52.91 C ATOM 1300 O HIS B 14 8.439 12.182 21.242 1.00 51.57 O ATOM 1301 CB HIS B 14 5.922 10.527 19.792 1.00 52.56 C ATOM 1302 CG HIS B 14 5.578 11.971 19.583 1.00 54.84 C ATOM 1303 ND1 HIS B 14 6.011 12.662 18.466 1.00 56.63 N ATOM 1304 CD2 HIS B 14 4.861 12.811 20.366 1.00 55.69 C ATOM 1305 CE1 HIS B 14 5.544 13.892 18.603 1.00 55.23 C ATOM 1306 NE2 HIS B 14 4.845 14.028 19.729 1.00 55.01 N ATOM 1307 H HIS B 14 6.815 8.224 20.566 1.00 0.00 H ATOM 1308 N ALA B 15 7.222 10.876 22.654 1.00 48.87 N ATOM 1309 CA ALA B 15 7.458 11.636 23.888 1.00 47.12 C ATOM 1310 C ALA B 15 8.943 11.756 24.242 1.00 49.78 C ATOM 1311 O ALA B 15 9.367 12.816 24.704 1.00 48.40 O ATOM 1312 CB ALA B 15 6.688 11.017 25.043 1.00 48.27 C ATOM 1313 H ALA B 15 6.630 10.023 22.718 1.00 0.00 H ATOM 1314 N SER B 16 9.727 10.681 24.012 1.00 46.89 N ATOM 1315 CA SER B 16 11.171 10.656 24.259 1.00 46.47 C ATOM 1316 C SER B 16 11.903 11.528 23.233 1.00 50.15 C ATOM 1317 O SER B 16 12.881 12.190 23.585 1.00 49.13 O ATOM 1318 CB SER B 16 11.704 9.226 24.233 1.00 51.57 C ATOM 1319 OG SER B 16 11.471 8.603 22.981 1.00 63.28 O ATOM 1320 HG SER B 16 10.498 8.577 22.803 1.00 0.00 H ATOM 1321 H SER B 16 9.280 9.820 23.637 1.00 0.00 H ATOM 1322 N ASP B 17 11.407 11.543 21.974 1.00 47.37 N ATOM 1323 CA ASP B 17 11.943 12.349 20.874 1.00 47.39 C ATOM 1324 C ASP B 17 11.679 13.841 21.101 1.00 50.01 C ATOM 1325 O ASP B 17 12.509 14.666 20.715 1.00 49.56 O ATOM 1326 CB ASP B 17 11.362 11.892 19.523 1.00 50.50 C ATOM 1327 CG ASP B 17 12.015 10.660 18.917 1.00 62.77 C ATOM 1328 OD1 ASP B 17 12.550 9.826 19.685 1.00 63.71 O ATOM 1329 OD2 ASP B 17 11.966 10.513 17.676 1.00 70.05 O ATOM 1330 H ASP B 17 10.585 10.938 21.772 1.00 0.00 H ATOM 1331 N VAL B 18 10.528 14.181 21.732 1.00 45.80 N ATOM 1332 CA VAL B 18 10.137 15.557 22.068 1.00 44.72 C ATOM 1333 C VAL B 18 11.081 16.085 23.158 1.00 48.26 C ATOM 1334 O VAL B 18 11.640 17.172 23.001 1.00 47.81 O ATOM 1335 CB VAL B 18 8.636 15.671 22.474 1.00 48.34 C ATOM 1336 CG1 VAL B 18 8.298 17.062 23.007 1.00 47.33 C ATOM 1337 CG2 VAL B 18 7.721 15.320 21.307 1.00 49.26 C ATOM 1338 H VAL B 18 9.877 13.415 21.997 1.00 0.00 H ATOM 1339 N LEU B 19 11.278 15.291 24.235 1.00 44.76 N ATOM 1340 CA LEU B 19 12.151 15.607 25.369 1.00 43.98 C ATOM 1341 C LEU B 19 13.609 15.794 24.931 1.00 48.32 C ATOM 1342 O LEU B 19 14.285 16.686 25.448 1.00 47.65 O ATOM 1343 CB LEU B 19 12.037 14.515 26.448 1.00 44.05 C ATOM 1344 CG LEU B 19 12.452 14.902 27.871 1.00 47.98 C ATOM 1345 CD1 LEU B 19 11.402 15.773 28.538 1.00 47.45 C ATOM 1346 CD2 LEU B 19 12.686 13.670 28.715 1.00 50.99 C ATOM 1347 H LEU B 19 10.770 14.384 24.260 1.00 0.00 H ATOM 1348 N LEU B 20 14.074 14.972 23.964 1.00 45.78 N ATOM 1349 CA LEU B 20 15.424 15.037 23.394 1.00 46.44 C ATOM 1350 C LEU B 20 15.605 16.355 22.628 1.00 49.81 C ATOM 1351 O LEU B 20 16.649 16.996 22.760 1.00 50.20 O ATOM 1352 CB LEU B 20 15.676 13.830 22.468 1.00 47.93 C ATOM 1353 CG LEU B 20 17.080 13.694 21.866 1.00 54.18 C ATOM 1354 CD1 LEU B 20 18.007 12.914 22.789 1.00 54.89 C ATOM 1355 CD2 LEU B 20 17.021 13.020 20.511 1.00 58.09 C ATOM 1356 H LEU B 20 13.429 14.242 23.598 1.00 0.00 H ATOM 1357 N ASN B 21 14.580 16.761 21.851 1.00 45.36 N ATOM 1358 CA ASN B 21 14.587 18.003 21.080 1.00 45.22 C ATOM 1359 C ASN B 21 14.518 19.233 21.979 1.00 47.98 C ATOM 1360 O ASN B 21 15.147 20.242 21.661 1.00 48.03 O ATOM 1361 CB ASN B 21 13.479 18.012 20.031 1.00 45.52 C ATOM 1362 CG ASN B 21 13.779 17.182 18.803 1.00 62.39 C ATOM 1363 OD1 ASN B 21 14.910 17.133 18.305 1.00 54.91 O ATOM 1364 ND2 ASN B 21 12.756 16.544 18.258 1.00 53.27 N ATOM 1365 HD22 ASN B 21 11.815 16.601 18.696 1.00 0.00 H ATOM 1366 HD21 ASN B 21 12.893 15.986 17.391 1.00 0.00 H ATOM 1367 H ASN B 21 13.736 16.156 21.797 1.00 0.00 H ATOM 1368 N LEU B 22 13.783 19.139 23.116 1.00 43.29 N ATOM 1369 CA LEU B 22 13.671 20.207 24.117 1.00 42.36 C ATOM 1370 C LEU B 22 15.034 20.413 24.788 1.00 45.46 C ATOM 1371 O LEU B 22 15.413 21.550 25.070 1.00 44.97 O ATOM 1372 CB LEU B 22 12.605 19.871 25.180 1.00 41.65 C ATOM 1373 CG LEU B 22 11.134 19.966 24.755 1.00 46.62 C ATOM 1374 CD1 LEU B 22 10.262 19.089 25.630 1.00 46.43 C ATOM 1375 CD2 LEU B 22 10.630 21.393 24.808 1.00 49.47 C ATOM 1376 H LEU B 22 13.266 18.253 23.289 1.00 0.00 H ATOM 1377 N ASN B 23 15.773 19.305 25.015 1.00 42.16 N ATOM 1378 CA ASN B 23 17.117 19.295 25.596 1.00 42.68 C ATOM 1379 C ASN B 23 18.119 19.935 24.629 1.00 47.83 C ATOM 1380 O ASN B 23 19.034 20.628 25.075 1.00 48.12 O ATOM 1381 CB ASN B 23 17.538 17.867 25.956 1.00 44.34 C ATOM 1382 CG ASN B 23 18.782 17.766 26.811 1.00 65.91 C ATOM 1383 OD1 ASN B 23 19.091 18.638 27.634 1.00 59.08 O ATOM 1384 ND2 ASN B 23 19.510 16.672 26.656 1.00 58.90 N ATOM 1385 HD22 ASN B 23 19.229 15.955 25.958 1.00 0.00 H ATOM 1386 HD21 ASN B 23 20.364 16.529 27.233 1.00 0.00 H ATOM 1387 H ASN B 23 15.355 18.388 24.757 1.00 0.00 H ATOM 1388 N ARG B 24 17.923 19.720 23.309 1.00 44.92 N ATOM 1389 CA ARG B 24 18.741 20.297 22.239 1.00 46.34 C ATOM 1390 C ARG B 24 18.534 21.816 22.177 1.00 50.42 C ATOM 1391 O ARG B 24 19.497 22.551 21.947 1.00 51.49 O ATOM 1392 CB ARG B 24 18.403 19.655 20.883 1.00 47.38 C ATOM 1393 CG ARG B 24 19.033 18.286 20.675 1.00 58.46 C ATOM 1394 CD ARG B 24 18.485 17.606 19.437 1.00 68.36 C ATOM 1395 NE ARG B 24 19.199 16.364 19.136 1.00 77.16 N ATOM 1396 CZ ARG B 24 18.783 15.449 18.267 1.00 91.37 C ATOM 1397 NH1 ARG B 24 17.643 15.618 17.608 1.00 77.98 N ATOM 1398 NH2 ARG B 24 19.498 14.352 18.057 1.00 79.34 N ATOM 1399 HE ARG B 24 20.093 16.186 19.637 1.00 0.00 H ATOM 1400 HH12 ARG B 24 17.323 14.898 16.929 1.00 0.00 H ATOM 1401 HH11 ARG B 24 17.070 16.470 17.771 1.00 0.00 H ATOM 1402 HH22 ARG B 24 19.168 13.639 17.376 1.00 0.00 H ATOM 1403 HH21 ARG B 24 20.389 14.205 18.574 1.00 0.00 H ATOM 1404 H ARG B 24 17.135 19.100 23.033 1.00 0.00 H ATOM 1405 N LEU B 25 17.282 22.280 22.400 1.00 45.61 N ATOM 1406 CA LEU B 25 16.928 23.703 22.417 1.00 45.62 C ATOM 1407 C LEU B 25 17.522 24.385 23.649 1.00 49.58 C ATOM 1408 O LEU B 25 18.013 25.507 23.541 1.00 50.21 O ATOM 1409 CB LEU B 25 15.399 23.919 22.364 1.00 44.64 C ATOM 1410 CG LEU B 25 14.657 23.475 21.091 1.00 49.46 C ATOM 1411 CD1 LEU B 25 13.156 23.551 21.284 1.00 48.73 C ATOM 1412 CD2 LEU B 25 15.075 24.288 19.870 1.00 53.23 C ATOM 1413 H LEU B 25 16.526 21.586 22.569 1.00 0.00 H ATOM 1414 N ARG B 26 17.499 23.694 24.810 1.00 45.31 N ATOM 1415 CA ARG B 26 18.057 24.170 26.080 1.00 45.20 C ATOM 1416 C ARG B 26 19.582 24.329 25.955 1.00 50.52 C ATOM 1417 O ARG B 26 20.131 25.327 26.423 1.00 51.19 O ATOM 1418 CB ARG B 26 17.690 23.199 27.220 1.00 44.26 C ATOM 1419 CG ARG B 26 17.951 23.737 28.625 1.00 55.03 C ATOM 1420 CD ARG B 26 19.129 23.055 29.299 1.00 67.24 C ATOM 1421 NE ARG B 26 18.810 21.697 29.748 1.00 76.12 N ATOM 1422 CZ ARG B 26 19.637 20.920 30.443 1.00 91.22 C ATOM 1423 NH1 ARG B 26 20.843 21.359 30.784 1.00 80.00 N ATOM 1424 NH2 ARG B 26 19.263 19.701 30.806 1.00 77.14 N ATOM 1425 HE ARG B 26 17.873 21.314 29.507 1.00 0.00 H ATOM 1426 HH12 ARG B 26 21.485 20.747 31.327 1.00 0.00 H ATOM 1427 HH11 ARG B 26 21.146 22.315 30.508 1.00 0.00 H ATOM 1428 HH22 ARG B 26 19.913 19.098 31.349 1.00 0.00 H ATOM 1429 HH21 ARG B 26 18.319 19.348 30.548 1.00 0.00 H ATOM 1430 H ARG B 26 17.052 22.755 24.802 1.00 0.00 H ATOM 1431 N SER B 27 20.247 23.355 25.295 1.00 47.49 N ATOM 1432 CA SER B 27 21.692 23.332 25.046 1.00 49.09 C ATOM 1433 C SER B 27 22.120 24.458 24.094 1.00 54.23 C ATOM 1434 O SER B 27 23.220 24.995 24.238 1.00 55.56 O ATOM 1435 CB SER B 27 22.108 21.978 24.478 1.00 53.19 C ATOM 1436 OG SER B 27 23.505 21.903 24.249 1.00 65.20 O ATOM 1437 HG SER B 27 23.986 22.041 25.103 1.00 0.00 H ATOM 1438 H SER B 27 19.688 22.556 24.934 1.00 0.00 H ATOM 1439 N ARG B 28 21.250 24.803 23.126 1.00 50.08 N ATOM 1440 CA ARG B 28 21.486 25.853 22.132 1.00 51.29 C ATOM 1441 C ARG B 28 20.876 27.210 22.540 1.00 54.87 C ATOM 1442 O ARG B 28 20.946 28.169 21.766 1.00 55.93 O ATOM 1443 CB ARG B 28 20.977 25.406 20.753 1.00 51.10 C ATOM 1444 CG ARG B 28 21.883 24.394 20.057 1.00 59.82 C ATOM 1445 CD ARG B 28 21.405 24.078 18.653 1.00 65.80 C ATOM 1446 NE ARG B 28 21.489 25.245 17.772 1.00 72.35 N ATOM 1447 CZ ARG B 28 20.732 25.431 16.696 1.00 84.19 C ATOM 1448 NH1 ARG B 28 19.823 24.527 16.350 1.00 69.53 N ATOM 1449 NH2 ARG B 28 20.874 26.524 15.960 1.00 71.09 N ATOM 1450 HE ARG B 28 22.189 25.978 18.005 1.00 0.00 H ATOM 1451 HH12 ARG B 28 19.234 24.679 15.507 1.00 0.00 H ATOM 1452 HH11 ARG B 28 19.700 23.667 16.922 1.00 0.00 H ATOM 1453 HH22 ARG B 28 20.279 26.665 15.119 1.00 0.00 H ATOM 1454 HH21 ARG B 28 21.580 27.240 16.224 1.00 0.00 H ATOM 1455 H ARG B 28 20.348 24.288 23.081 1.00 0.00 H ATOM 1456 N ASP B 29 20.296 27.283 23.766 1.00 49.85 N ATOM 1457 CA ASP B 29 19.670 28.462 24.390 1.00 49.53 C ATOM 1458 C ASP B 29 18.494 29.049 23.565 1.00 52.76 C ATOM 1459 O ASP B 29 18.257 30.262 23.584 1.00 53.45 O ATOM 1460 CB ASP B 29 20.729 29.536 24.736 1.00 53.60 C ATOM 1461 CG ASP B 29 20.320 30.480 25.850 1.00 64.78 C ATOM 1462 OD1 ASP B 29 20.134 30.006 26.991 1.00 64.06 O ATOM 1463 OD2 ASP B 29 20.195 31.694 25.581 1.00 72.49 O ATOM 1464 H ASP B 29 20.293 26.408 24.328 1.00 0.00 H ATOM 1465 N ILE B 30 17.739 28.175 22.874 1.00 47.68 N ATOM 1466 CA ILE B 30 16.584 28.578 22.071 1.00 47.22 C ATOM 1467 C ILE B 30 15.317 28.546 22.929 1.00 49.15 C ATOM 1468 O ILE B 30 14.943 27.493 23.451 1.00 47.24 O ATOM 1469 CB ILE B 30 16.447 27.772 20.742 1.00 50.43 C ATOM 1470 CG1 ILE B 30 17.726 27.890 19.875 1.00 52.85 C ATOM 1471 CG2 ILE B 30 15.204 28.219 19.949 1.00 51.04 C ATOM 1472 CD1 ILE B 30 17.954 26.738 18.872 1.00 60.17 C ATOM 1473 H ILE B 30 17.988 27.166 22.913 1.00 0.00 H ATOM 1474 N LEU B 31 14.679 29.724 23.074 1.00 46.21 N ATOM 1475 CA LEU B 31 13.438 29.990 23.816 1.00 45.21 C ATOM 1476 C LEU B 31 13.525 29.695 25.331 1.00 47.99 C ATOM 1477 O LEU B 31 12.489 29.514 25.979 1.00 46.68 O ATOM 1478 CB LEU B 31 12.222 29.286 23.177 1.00 44.44 C ATOM 1479 CG LEU B 31 11.842 29.752 21.774 1.00 50.27 C ATOM 1480 CD1 LEU B 31 11.177 28.649 21.014 1.00 49.62 C ATOM 1481 CD2 LEU B 31 10.957 30.992 21.812 1.00 53.86 C ATOM 1482 H LEU B 31 15.117 30.543 22.605 1.00 0.00 H ATOM 1483 N THR B 32 14.749 29.706 25.902 1.00 45.04 N ATOM 1484 CA THR B 32 14.959 29.533 27.343 1.00 44.26 C ATOM 1485 C THR B 32 14.592 30.878 27.972 1.00 49.68 C ATOM 1486 O THR B 32 15.288 31.873 27.759 1.00 51.29 O ATOM 1487 CB THR B 32 16.389 29.058 27.658 1.00 52.32 C ATOM 1488 OG1 THR B 32 17.332 29.872 26.959 1.00 53.90 O ATOM 1489 CG2 THR B 32 16.608 27.590 27.317 1.00 49.87 C ATOM 1490 HG1 THR B 32 18.250 29.563 27.165 1.00 0.00 H ATOM 1491 H THR B 32 15.580 29.843 25.292 1.00 0.00 H ATOM 1492 N ASP B 33 13.441 30.920 28.657 1.00 45.62 N ATOM 1493 CA ASP B 33 12.861 32.135 29.236 1.00 46.47 C ATOM 1494 C ASP B 33 13.105 32.337 30.745 1.00 50.23 C ATOM 1495 O ASP B 33 12.550 33.280 31.318 1.00 50.82 O ATOM 1496 CB ASP B 33 11.348 32.199 28.920 1.00 48.06 C ATOM 1497 CG ASP B 33 10.526 30.948 29.219 1.00 56.06 C ATOM 1498 OD1 ASP B 33 11.087 29.981 29.785 1.00 54.72 O ATOM 1499 OD2 ASP B 33 9.322 30.937 28.883 1.00 63.05 O ATOM 1500 H ASP B 33 12.923 30.028 28.787 1.00 0.00 H ATOM 1501 N VAL B 34 13.947 31.499 31.383 1.00 45.83 N ATOM 1502 CA VAL B 34 14.215 31.636 32.820 1.00 45.78 C ATOM 1503 C VAL B 34 15.666 31.252 33.195 1.00 49.81 C ATOM 1504 O VAL B 34 16.267 30.373 32.571 1.00 48.44 O ATOM 1505 CB VAL B 34 13.149 30.883 33.674 1.00 48.41 C ATOM 1506 CG1 VAL B 34 13.323 29.369 33.610 1.00 46.56 C ATOM 1507 CG2 VAL B 34 13.108 31.380 35.118 1.00 48.85 C ATOM 1508 H VAL B 34 14.416 30.741 30.847 1.00 0.00 H ATOM 1509 N VAL B 35 16.210 31.941 34.216 1.00 47.70 N ATOM 1510 CA VAL B 35 17.543 31.721 34.779 1.00 48.04 C ATOM 1511 C VAL B 35 17.351 31.290 36.239 1.00 51.58 C ATOM 1512 O VAL B 35 16.773 32.039 37.032 1.00 51.72 O ATOM 1513 CB VAL B 35 18.461 32.976 34.661 1.00 54.32 C ATOM 1514 CG1 VAL B 35 19.821 32.738 35.317 1.00 54.91 C ATOM 1515 CG2 VAL B 35 18.638 33.407 33.207 1.00 55.01 C ATOM 1516 H VAL B 35 15.633 32.695 34.641 1.00 0.00 H ATOM 1517 N ILE B 36 17.818 30.082 36.583 1.00 47.48 N ATOM 1518 CA ILE B 36 17.730 29.554 37.944 1.00 47.00 C ATOM 1519 C ILE B 36 19.082 29.759 38.627 1.00 52.53 C ATOM 1520 O ILE B 36 20.094 29.221 38.171 1.00 52.13 O ATOM 1521 CB ILE B 36 17.231 28.076 38.008 1.00 48.30 C ATOM 1522 CG1 ILE B 36 16.021 27.796 37.058 1.00 47.61 C ATOM 1523 CG2 ILE B 36 16.933 27.653 39.451 1.00 48.85 C ATOM 1524 CD1 ILE B 36 14.682 28.603 37.297 1.00 54.48 C ATOM 1525 H ILE B 36 18.263 29.494 35.850 1.00 0.00 H ATOM 1526 N VAL B 37 19.093 30.569 39.700 1.00 50.75 N ATOM 1527 CA VAL B 37 20.301 30.892 40.458 1.00 52.25 C ATOM 1528 C VAL B 37 20.364 30.051 41.737 1.00 55.99 C ATOM 1529 O VAL B 37 19.560 30.246 42.655 1.00 55.53 O ATOM 1530 CB VAL B 37 20.457 32.420 40.721 1.00 58.43 C ATOM 1531 CG1 VAL B 37 21.763 32.732 41.453 1.00 60.11 C ATOM 1532 CG2 VAL B 37 20.374 33.219 39.422 1.00 58.96 C ATOM 1533 H VAL B 37 18.193 30.989 40.008 1.00 0.00 H ATOM 1534 N VAL B 38 21.311 29.100 41.772 1.00 52.67 N ATOM 1535 CA VAL B 38 21.551 28.209 42.910 1.00 52.39 C ATOM 1536 C VAL B 38 22.919 28.587 43.491 1.00 58.60 C ATOM 1537 O VAL B 38 23.950 28.323 42.864 1.00 58.72 O ATOM 1538 CB VAL B 38 21.444 26.703 42.530 1.00 54.65 C ATOM 1539 CG1 VAL B 38 21.623 25.811 43.755 1.00 54.39 C ATOM 1540 CG2 VAL B 38 20.118 26.395 41.841 1.00 52.91 C ATOM 1541 H VAL B 38 21.916 28.988 40.933 1.00 0.00 H ATOM 1542 N SER B 39 22.905 29.244 44.674 1.00 56.76 N ATOM 1543 CA SER B 39 24.064 29.763 45.415 1.00 59.01 C ATOM 1544 C SER B 39 24.876 30.777 44.592 1.00 64.92 C ATOM 1545 O SER B 39 24.684 31.981 44.769 1.00 66.20 O ATOM 1546 CB SER B 39 24.934 28.638 45.977 1.00 62.97 C ATOM 1547 OG SER B 39 24.261 27.942 47.012 1.00 71.77 O ATOM 1548 HG SER B 39 24.044 28.572 47.745 1.00 0.00 H ATOM 1549 H SER B 39 21.972 29.399 45.107 1.00 0.00 H ATOM 1550 N ARG B 40 25.752 30.295 43.684 1.00 61.49 N ATOM 1551 CA ARG B 40 26.579 31.126 42.799 1.00 63.13 C ATOM 1552 C ARG B 40 26.512 30.630 41.345 1.00 65.25 C ATOM 1553 O ARG B 40 27.001 31.306 40.435 1.00 66.33 O ATOM 1554 CB ARG B 40 28.045 31.174 43.285 1.00 66.29 C ATOM 1555 CG ARG B 40 28.269 31.777 44.678 1.00 79.24 C ATOM 1556 CD ARG B 40 27.863 33.238 44.785 1.00 89.78 C ATOM 1557 NE ARG B 40 28.885 34.027 45.468 1.00100.34 N ATOM 1558 CZ ARG B 40 29.784 34.784 44.849 1.00116.06 C ATOM 1559 NH1 ARG B 40 29.784 34.879 43.525 1.00101.98 N ATOM 1560 NH2 ARG B 40 30.681 35.464 45.549 1.00106.43 N ATOM 1561 HE ARG B 40 28.910 33.994 46.507 1.00 0.00 H ATOM 1562 HH12 ARG B 40 30.491 35.473 43.046 1.00 0.00 H ATOM 1563 HH11 ARG B 40 29.077 34.359 42.966 1.00 0.00 H ATOM 1564 HH22 ARG B 40 31.383 36.055 45.060 1.00 0.00 H ATOM 1565 HH21 ARG B 40 30.683 35.406 46.587 1.00 0.00 H ATOM 1566 H ARG B 40 25.848 29.262 43.606 1.00 0.00 H ATOM 1567 N GLU B 41 25.891 29.455 41.140 1.00 58.78 N ATOM 1568 CA GLU B 41 25.737 28.792 39.845 1.00 57.09 C ATOM 1569 C GLU B 41 24.435 29.202 39.162 1.00 58.83 C ATOM 1570 O GLU B 41 23.406 29.343 39.827 1.00 57.46 O ATOM 1571 CB GLU B 41 25.803 27.263 40.014 1.00 57.03 C ATOM 1572 CG GLU B 41 26.984 26.790 40.851 1.00 68.82 C ATOM 1573 CD GLU B 41 28.008 25.889 40.187 1.00 89.72 C ATOM 1574 OE1 GLU B 41 29.178 25.909 40.632 1.00 86.14 O ATOM 1575 OE2 GLU B 41 27.641 25.138 39.255 1.00 83.69 O ATOM 1576 H GLU B 41 25.487 28.978 41.971 1.00 0.00 H ATOM 1577 N GLN B 42 24.485 29.392 37.832 1.00 54.96 N ATOM 1578 CA GLN B 42 23.336 29.788 37.015 1.00 53.37 C ATOM 1579 C GLN B 42 22.958 28.691 36.026 1.00 54.84 C ATOM 1580 O GLN B 42 23.838 28.101 35.395 1.00 54.93 O ATOM 1581 CB GLN B 42 23.620 31.106 36.280 1.00 56.66 C ATOM 1582 CG GLN B 42 23.481 32.339 37.166 1.00 73.87 C ATOM 1583 CD GLN B 42 24.075 33.566 36.523 1.00 96.49 C ATOM 1584 OE1 GLN B 42 25.182 33.995 36.861 1.00 94.65 O ATOM 1585 NE2 GLN B 42 23.348 34.166 35.590 1.00 88.84 N ATOM 1586 HE22 GLN B 42 22.419 33.780 35.327 1.00 0.00 H ATOM 1587 HE21 GLN B 42 23.707 35.022 35.122 1.00 0.00 H ATOM 1588 H GLN B 42 25.397 29.249 37.353 1.00 0.00 H ATOM 1589 N PHE B 43 21.647 28.414 35.900 1.00 48.97 N ATOM 1590 CA PHE B 43 21.124 27.381 35.005 1.00 47.02 C ATOM 1591 C PHE B 43 19.955 27.905 34.179 1.00 49.97 C ATOM 1592 O PHE B 43 18.934 28.308 34.739 1.00 48.97 O ATOM 1593 CB PHE B 43 20.699 26.125 35.795 1.00 47.28 C ATOM 1594 CG PHE B 43 21.746 25.542 36.714 1.00 49.33 C ATOM 1595 CD1 PHE B 43 22.699 24.652 36.233 1.00 52.79 C ATOM 1596 CD2 PHE B 43 21.763 25.861 38.067 1.00 51.74 C ATOM 1597 CE1 PHE B 43 23.664 24.108 37.087 1.00 54.53 C ATOM 1598 CE2 PHE B 43 22.727 25.316 38.920 1.00 55.33 C ATOM 1599 CZ PHE B 43 23.670 24.441 38.424 1.00 53.90 C ATOM 1600 H PHE B 43 20.970 28.963 36.468 1.00 0.00 H ATOM 1601 N ARG B 44 20.107 27.900 32.846 1.00 46.68 N ATOM 1602 CA ARG B 44 19.062 28.347 31.926 1.00 46.08 C ATOM 1603 C ARG B 44 18.209 27.159 31.496 1.00 47.96 C ATOM 1604 O ARG B 44 18.747 26.110 31.129 1.00 47.44 O ATOM 1605 CB ARG B 44 19.654 29.075 30.707 1.00 48.28 C ATOM 1606 CG ARG B 44 20.259 30.436 31.041 1.00 62.06 C ATOM 1607 CD ARG B 44 19.981 31.474 29.970 1.00 75.11 C ATOM 1608 NE ARG B 44 18.620 32.006 30.061 1.00 85.52 N ATOM 1609 CZ ARG B 44 18.141 32.989 29.305 1.00102.29 C ATOM 1610 NH1 ARG B 44 18.906 33.560 28.382 1.00 91.53 N ATOM 1611 NH2 ARG B 44 16.894 33.411 29.467 1.00 89.94 N ATOM 1612 HE ARG B 44 17.983 31.585 30.767 1.00 0.00 H ATOM 1613 HH12 ARG B 44 18.525 34.329 27.794 1.00 0.00 H ATOM 1614 HH11 ARG B 44 19.886 33.239 28.247 1.00 0.00 H ATOM 1615 HH22 ARG B 44 16.524 34.180 28.873 1.00 0.00 H ATOM 1616 HH21 ARG B 44 16.286 32.973 30.188 1.00 0.00 H ATOM 1617 H ARG B 44 21.008 27.563 32.450 1.00 0.00 H ATOM 1618 N ALA B 45 16.878 27.315 31.575 1.00 43.00 N ATOM 1619 CA ALA B 45 15.912 26.275 31.219 1.00 41.13 C ATOM 1620 C ALA B 45 14.606 26.874 30.680 1.00 43.91 C ATOM 1621 O ALA B 45 14.461 28.097 30.624 1.00 44.28 O ATOM 1622 CB ALA B 45 15.625 25.399 32.436 1.00 40.88 C ATOM 1623 H ALA B 45 16.512 28.229 31.909 1.00 0.00 H ATOM 1624 N HIS B 46 13.668 26.002 30.269 1.00 38.90 N ATOM 1625 CA HIS B 46 12.340 26.384 29.795 1.00 38.39 C ATOM 1626 C HIS B 46 11.389 26.268 30.988 1.00 41.33 C ATOM 1627 O HIS B 46 11.420 25.256 31.693 1.00 40.11 O ATOM 1628 CB HIS B 46 11.876 25.464 28.652 1.00 38.58 C ATOM 1629 CG HIS B 46 12.778 25.466 27.459 1.00 42.38 C ATOM 1630 ND1 HIS B 46 13.722 24.474 27.269 1.00 43.83 N ATOM 1631 CD2 HIS B 46 12.847 26.340 26.429 1.00 45.03 C ATOM 1632 CE1 HIS B 46 14.333 24.774 26.134 1.00 44.10 C ATOM 1633 NE2 HIS B 46 13.839 25.886 25.591 1.00 45.18 N ATOM 1634 H HIS B 46 13.904 24.989 30.290 1.00 0.00 H ATOM 1635 N LYS B 47 10.561 27.306 31.222 1.00 38.50 N ATOM 1636 CA LYS B 47 9.592 27.367 32.328 1.00 38.40 C ATOM 1637 C LYS B 47 8.599 26.201 32.311 1.00 41.62 C ATOM 1638 O LYS B 47 8.268 25.668 33.370 1.00 41.02 O ATOM 1639 CB LYS B 47 8.828 28.699 32.313 1.00 42.13 C ATOM 1640 CG LYS B 47 9.617 29.890 32.826 1.00 56.82 C ATOM 1641 CD LYS B 47 8.831 31.177 32.646 1.00 68.33 C ATOM 1642 CE LYS B 47 9.671 32.396 32.913 1.00 80.23 C ATOM 1643 NZ LYS B 47 8.925 33.649 32.631 1.00 91.09 N ATOM 1644 HZ1 LYS B 47 8.636 33.662 31.632 1.00 0.00 H ATOM 1645 HZ2 LYS B 47 8.081 33.693 33.237 1.00 0.00 H ATOM 1646 HZ3 LYS B 47 9.537 34.467 32.827 1.00 0.00 H ATOM 1647 H LYS B 47 10.610 28.120 30.576 1.00 0.00 H ATOM 1648 N THR B 48 8.140 25.808 31.105 1.00 37.96 N ATOM 1649 CA THR B 48 7.187 24.719 30.870 1.00 37.39 C ATOM 1650 C THR B 48 7.739 23.363 31.301 1.00 40.60 C ATOM 1651 O THR B 48 6.993 22.554 31.854 1.00 40.21 O ATOM 1652 CB THR B 48 6.739 24.699 29.404 1.00 44.34 C ATOM 1653 OG1 THR B 48 7.888 24.593 28.562 1.00 42.71 O ATOM 1654 CG2 THR B 48 5.907 25.918 29.024 1.00 43.86 C ATOM 1655 HG1 THR B 48 7.601 24.580 27.615 1.00 0.00 H ATOM 1656 H THR B 48 8.492 26.321 30.271 1.00 0.00 H ATOM 1657 N VAL B 49 9.043 23.118 31.047 1.00 37.03 N ATOM 1658 CA VAL B 49 9.734 21.877 31.415 1.00 36.35 C ATOM 1659 C VAL B 49 9.865 21.802 32.946 1.00 40.25 C ATOM 1660 O VAL B 49 9.654 20.732 33.515 1.00 39.64 O ATOM 1661 CB VAL B 49 11.093 21.697 30.674 1.00 40.10 C ATOM 1662 CG1 VAL B 49 11.751 20.362 31.024 1.00 39.70 C ATOM 1663 CG2 VAL B 49 10.916 21.811 29.161 1.00 40.21 C ATOM 1664 H VAL B 49 9.592 23.855 30.560 1.00 0.00 H ATOM 1665 N LEU B 50 10.154 22.951 33.602 1.00 37.59 N ATOM 1666 CA LEU B 50 10.283 23.065 35.061 1.00 37.84 C ATOM 1667 C LEU B 50 8.983 22.714 35.783 1.00 42.31 C ATOM 1668 O LEU B 50 9.016 21.950 36.746 1.00 42.04 O ATOM 1669 CB LEU B 50 10.763 24.465 35.490 1.00 38.58 C ATOM 1670 CG LEU B 50 12.153 24.937 35.051 1.00 43.47 C ATOM 1671 CD1 LEU B 50 12.298 26.403 35.306 1.00 44.45 C ATOM 1672 CD2 LEU B 50 13.264 24.213 35.798 1.00 46.04 C ATOM 1673 H LEU B 50 10.294 23.811 33.034 1.00 0.00 H ATOM 1674 N MET B 51 7.846 23.257 35.302 1.00 39.58 N ATOM 1675 CA MET B 51 6.503 23.034 35.851 1.00 40.36 C ATOM 1676 C MET B 51 6.076 21.572 35.731 1.00 44.69 C ATOM 1677 O MET B 51 5.468 21.035 36.658 1.00 44.91 O ATOM 1678 CB MET B 51 5.471 23.913 35.126 1.00 43.42 C ATOM 1679 CG MET B 51 5.623 25.388 35.388 1.00 47.62 C ATOM 1680 SD MET B 51 4.406 26.339 34.453 1.00 52.83 S ATOM 1681 CE MET B 51 3.070 26.333 35.583 1.00 50.91 C ATOM 1682 H MET B 51 7.927 23.884 34.476 1.00 0.00 H ATOM 1683 N ALA B 52 6.387 20.945 34.582 1.00 41.42 N ATOM 1684 CA ALA B 52 6.051 19.561 34.246 1.00 41.86 C ATOM 1685 C ALA B 52 6.724 18.507 35.135 1.00 46.49 C ATOM 1686 O ALA B 52 6.137 17.448 35.361 1.00 46.90 O ATOM 1687 CB ALA B 52 6.378 19.292 32.784 1.00 42.20 C ATOM 1688 H ALA B 52 6.912 21.492 33.870 1.00 0.00 H ATOM 1689 N CYS B 53 7.948 18.786 35.623 1.00 42.91 N ATOM 1690 CA CYS B 53 8.717 17.839 36.438 1.00 43.06 C ATOM 1691 C CYS B 53 8.846 18.232 37.913 1.00 46.76 C ATOM 1692 O CYS B 53 9.238 17.391 38.722 1.00 46.72 O ATOM 1693 CB CYS B 53 10.090 17.582 35.823 1.00 43.04 C ATOM 1694 SG CYS B 53 10.109 17.509 34.013 1.00 46.86 S ATOM 1695 H CYS B 53 8.367 19.714 35.413 1.00 0.00 H ATOM 1696 N SER B 54 8.558 19.497 38.261 1.00 42.89 N ATOM 1697 CA SER B 54 8.697 19.980 39.634 1.00 42.85 C ATOM 1698 C SER B 54 7.430 20.638 40.173 1.00 47.07 C ATOM 1699 O SER B 54 6.812 21.452 39.486 1.00 46.77 O ATOM 1700 CB SER B 54 9.901 20.915 39.743 1.00 45.49 C ATOM 1701 OG SER B 54 9.843 21.803 40.847 1.00 53.49 O ATOM 1702 HG SER B 54 9.801 21.281 41.687 1.00 0.00 H ATOM 1703 H SER B 54 8.225 20.156 37.528 1.00 0.00 H ATOM 1704 N GLY B 55 7.074 20.276 41.405 1.00 44.01 N ATOM 1705 CA GLY B 55 5.918 20.812 42.114 1.00 44.80 C ATOM 1706 C GLY B 55 6.129 22.240 42.575 1.00 48.29 C ATOM 1707 O GLY B 55 5.184 23.033 42.583 1.00 48.52 O ATOM 1708 H GLY B 55 7.658 19.566 41.892 1.00 0.00 H ATOM 1709 N LEU B 56 7.380 22.573 42.958 1.00 44.33 N ATOM 1710 CA LEU B 56 7.789 23.907 43.402 1.00 44.74 C ATOM 1711 C LEU B 56 7.714 24.886 42.230 1.00 48.13 C ATOM 1712 O LEU B 56 7.106 25.947 42.370 1.00 48.75 O ATOM 1713 CB LEU B 56 9.212 23.870 43.995 1.00 44.53 C ATOM 1714 CG LEU B 56 9.752 25.178 44.583 1.00 50.32 C ATOM 1715 CD1 LEU B 56 9.389 25.317 46.055 1.00 51.99 C ATOM 1716 CD2 LEU B 56 11.253 25.267 44.411 1.00 52.28 C ATOM 1717 H LEU B 56 8.106 21.828 42.936 1.00 0.00 H ATOM 1718 N PHE B 57 8.304 24.516 41.072 1.00 43.38 N ATOM 1719 CA PHE B 57 8.286 25.346 39.869 1.00 43.02 C ATOM 1720 C PHE B 57 6.885 25.489 39.283 1.00 47.95 C ATOM 1721 O PHE B 57 6.580 26.537 38.716 1.00 48.15 O ATOM 1722 CB PHE B 57 9.296 24.858 38.822 1.00 43.51 C ATOM 1723 CG PHE B 57 10.746 25.128 39.160 1.00 44.75 C ATOM 1724 CD1 PHE B 57 11.198 26.425 39.380 1.00 48.44 C ATOM 1725 CD2 PHE B 57 11.670 24.091 39.208 1.00 46.18 C ATOM 1726 CE1 PHE B 57 12.540 26.674 39.684 1.00 49.53 C ATOM 1727 CE2 PHE B 57 13.014 24.342 39.501 1.00 49.11 C ATOM 1728 CZ PHE B 57 13.439 25.631 39.740 1.00 47.97 C ATOM 1729 H PHE B 57 8.793 23.599 41.035 1.00 0.00 H ATOM 1730 N TYR B 58 6.021 24.461 39.452 1.00 44.94 N ATOM 1731 CA TYR B 58 4.631 24.517 38.999 1.00 45.83 C ATOM 1732 C TYR B 58 3.885 25.568 39.822 1.00 51.54 C ATOM 1733 O TYR B 58 3.261 26.449 39.241 1.00 51.95 O ATOM 1734 CB TYR B 58 3.938 23.140 39.089 1.00 47.25 C ATOM 1735 CG TYR B 58 2.438 23.193 38.877 1.00 50.58 C ATOM 1736 CD1 TYR B 58 1.898 23.392 37.609 1.00 52.60 C ATOM 1737 CD2 TYR B 58 1.557 23.053 39.946 1.00 53.05 C ATOM 1738 CE1 TYR B 58 0.520 23.452 37.410 1.00 55.14 C ATOM 1739 CE2 TYR B 58 0.176 23.116 39.760 1.00 55.68 C ATOM 1740 CZ TYR B 58 -0.338 23.312 38.489 1.00 63.45 C ATOM 1741 OH TYR B 58 -1.697 23.369 38.298 1.00 66.55 O ATOM 1742 HH TYR B 58 -1.888 23.513 37.337 1.00 0.00 H ATOM 1743 H TYR B 58 6.359 23.597 39.922 1.00 0.00 H ATOM 1744 N SER B 59 4.003 25.498 41.168 1.00 49.01 N ATOM 1745 CA SER B 59 3.380 26.419 42.125 1.00 50.76 C ATOM 1746 C SER B 59 3.818 27.873 41.918 1.00 55.52 C ATOM 1747 O SER B 59 3.005 28.782 42.093 1.00 56.92 O ATOM 1748 CB SER B 59 3.681 25.984 43.556 1.00 54.67 C ATOM 1749 OG SER B 59 3.192 24.677 43.809 1.00 63.72 O ATOM 1750 HG SER B 59 3.623 24.039 43.187 1.00 0.00 H ATOM 1751 H SER B 59 4.583 24.727 41.556 1.00 0.00 H ATOM 1752 N ILE B 60 5.092 28.085 41.537 1.00 51.15 N ATOM 1753 CA ILE B 60 5.658 29.412 41.293 1.00 51.74 C ATOM 1754 C ILE B 60 5.148 30.005 39.967 1.00 56.00 C ATOM 1755 O ILE B 60 4.600 31.108 39.973 1.00 57.31 O ATOM 1756 CB ILE B 60 7.220 29.403 41.411 1.00 53.84 C ATOM 1757 CG1 ILE B 60 7.661 29.214 42.884 1.00 54.73 C ATOM 1758 CG2 ILE B 60 7.858 30.675 40.810 1.00 55.12 C ATOM 1759 CD1 ILE B 60 9.089 28.665 43.082 1.00 60.30 C ATOM 1760 H ILE B 60 5.709 27.258 41.409 1.00 0.00 H ATOM 1761 N PHE B 61 5.314 29.277 38.847 1.00 51.10 N ATOM 1762 CA PHE B 61 4.943 29.775 37.524 1.00 51.17 C ATOM 1763 C PHE B 61 3.423 29.776 37.222 1.00 56.29 C ATOM 1764 O PHE B 61 3.027 30.475 36.289 1.00 56.58 O ATOM 1765 CB PHE B 61 5.738 29.063 36.416 1.00 51.31 C ATOM 1766 CG PHE B 61 7.229 29.324 36.467 1.00 52.24 C ATOM 1767 CD1 PHE B 61 7.735 30.611 36.311 1.00 56.39 C ATOM 1768 CD2 PHE B 61 8.129 28.280 36.648 1.00 53.01 C ATOM 1769 CE1 PHE B 61 9.111 30.852 36.368 1.00 57.06 C ATOM 1770 CE2 PHE B 61 9.506 28.522 36.702 1.00 55.60 C ATOM 1771 CZ PHE B 61 9.987 29.805 36.556 1.00 54.81 C ATOM 1772 H PHE B 61 5.722 28.324 38.926 1.00 0.00 H ATOM 1773 N THR B 62 2.572 29.068 38.011 1.00 53.60 N ATOM 1774 CA THR B 62 1.110 29.128 37.799 1.00 55.06 C ATOM 1775 C THR B 62 0.607 30.503 38.278 1.00 60.97 C ATOM 1776 O THR B 62 -0.291 31.081 37.661 1.00 61.98 O ATOM 1777 CB THR B 62 0.360 27.944 38.452 1.00 63.77 C ATOM 1778 OG1 THR B 62 0.911 26.717 37.983 1.00 62.52 O ATOM 1779 CG2 THR B 62 -1.134 27.943 38.130 1.00 63.86 C ATOM 1780 HG1 THR B 62 1.870 26.674 38.224 1.00 0.00 H ATOM 1781 H THR B 62 2.955 28.475 38.775 1.00 0.00 H ATOM 1782 N ASP B 63 1.227 31.029 39.358 1.00 57.78 N ATOM 1783 CA ASP B 63 0.947 32.340 39.946 1.00 59.78 C ATOM 1784 C ASP B 63 1.340 33.418 38.924 1.00 63.69 C ATOM 1785 O ASP B 63 2.471 33.405 38.431 1.00 61.68 O ATOM 1786 CB ASP B 63 1.755 32.507 41.253 1.00 61.71 C ATOM 1787 CG ASP B 63 1.288 33.590 42.214 1.00 74.03 C ATOM 1788 OD1 ASP B 63 0.575 34.519 41.771 1.00 76.34 O ATOM 1789 OD2 ASP B 63 1.673 33.533 43.402 1.00 80.34 O ATOM 1790 H ASP B 63 1.966 30.453 39.810 1.00 0.00 H ATOM 1791 N GLN B 64 0.398 34.323 38.586 1.00 62.36 N ATOM 1792 CA GLN B 64 0.617 35.394 37.604 1.00 62.94 C ATOM 1793 C GLN B 64 1.620 36.462 38.061 1.00 67.30 C ATOM 1794 O GLN B 64 2.172 37.176 37.220 1.00 67.28 O ATOM 1795 CB GLN B 64 -0.709 36.035 37.168 1.00 66.74 C ATOM 1796 CG GLN B 64 -0.965 35.951 35.659 1.00 83.09 C ATOM 1797 CD GLN B 64 -0.003 36.770 34.820 1.00103.50 C ATOM 1798 OE1 GLN B 64 0.203 37.970 35.044 1.00100.86 O ATOM 1799 NE2 GLN B 64 0.582 36.144 33.810 1.00 94.17 N ATOM 1800 HE22 GLN B 64 0.392 35.135 33.643 1.00 0.00 H ATOM 1801 HE21 GLN B 64 1.231 36.661 33.184 1.00 0.00 H ATOM 1802 H GLN B 64 -0.533 34.259 39.045 1.00 0.00 H ATOM 1803 N LEU B 65 1.867 36.555 39.380 1.00 64.01 N ATOM 1804 CA LEU B 65 2.822 37.499 39.967 1.00 64.71 C ATOM 1805 C LEU B 65 4.261 37.029 39.730 1.00 66.18 C ATOM 1806 O LEU B 65 5.173 37.858 39.671 1.00 66.60 O ATOM 1807 CB LEU B 65 2.577 37.667 41.482 1.00 66.27 C ATOM 1808 CG LEU B 65 1.148 37.969 41.954 1.00 73.40 C ATOM 1809 CD1 LEU B 65 0.961 37.549 43.387 1.00 74.16 C ATOM 1810 CD2 LEU B 65 0.803 39.441 41.806 1.00 78.81 C ATOM 1811 H LEU B 65 1.350 35.920 40.021 1.00 0.00 H ATOM 1812 N LYS B 66 4.457 35.701 39.596 1.00 60.15 N ATOM 1813 CA LYS B 66 5.762 35.058 39.403 1.00 57.86 C ATOM 1814 C LYS B 66 5.931 34.370 38.031 1.00 59.93 C ATOM 1815 O LYS B 66 7.017 33.859 37.746 1.00 58.16 O ATOM 1816 CB LYS B 66 6.037 34.054 40.542 1.00 59.15 C ATOM 1817 CG LYS B 66 6.081 34.662 41.939 1.00 73.77 C ATOM 1818 CD LYS B 66 6.091 33.577 43.004 1.00 82.00 C ATOM 1819 CE LYS B 66 6.047 34.142 44.400 1.00 93.12 C ATOM 1820 NZ LYS B 66 6.015 33.065 45.423 1.00101.02 N ATOM 1821 HZ1 LYS B 66 5.170 32.477 45.279 1.00 0.00 H ATOM 1822 HZ2 LYS B 66 6.868 32.477 45.332 1.00 0.00 H ATOM 1823 HZ3 LYS B 66 5.985 33.490 46.372 1.00 0.00 H ATOM 1824 H LYS B 66 3.619 35.086 39.632 1.00 0.00 H ATOM 1825 N ARG B 67 4.872 34.358 37.192 1.00 56.81 N ATOM 1826 CA ARG B 67 4.872 33.733 35.862 1.00 55.27 C ATOM 1827 C ARG B 67 5.870 34.379 34.889 1.00 59.47 C ATOM 1828 O ARG B 67 6.558 33.661 34.161 1.00 57.40 O ATOM 1829 CB ARG B 67 3.452 33.725 35.262 1.00 56.17 C ATOM 1830 CG ARG B 67 3.297 32.853 34.014 1.00 64.35 C ATOM 1831 CD ARG B 67 1.864 32.784 33.527 1.00 74.95 C ATOM 1832 NE ARG B 67 1.035 31.912 34.362 1.00 82.32 N ATOM 1833 CZ ARG B 67 -0.232 31.604 34.101 1.00 97.49 C ATOM 1834 NH1 ARG B 67 -0.832 32.088 33.020 1.00 85.48 N ATOM 1835 NH2 ARG B 67 -0.908 30.807 34.917 1.00 84.82 N ATOM 1836 HE ARG B 67 1.466 31.506 35.217 1.00 0.00 H ATOM 1837 HH12 ARG B 67 -1.823 31.843 32.822 1.00 0.00 H ATOM 1838 HH11 ARG B 67 -0.311 32.712 32.371 1.00 0.00 H ATOM 1839 HH22 ARG B 67 -1.899 30.569 34.709 1.00 0.00 H ATOM 1840 HH21 ARG B 67 -0.448 30.420 35.765 1.00 0.00 H ATOM 1841 H ARG B 67 3.997 34.823 37.509 1.00 0.00 H ATOM 1842 N ASN B 68 5.945 35.721 34.879 1.00 58.42 N ATOM 1843 CA ASN B 68 6.829 36.471 33.983 1.00 58.99 C ATOM 1844 C ASN B 68 8.229 36.748 34.573 1.00 62.80 C ATOM 1845 O ASN B 68 8.988 37.531 33.993 1.00 63.50 O ATOM 1846 CB ASN B 68 6.147 37.766 33.512 1.00 62.42 C ATOM 1847 CG ASN B 68 4.883 37.538 32.718 1.00 85.93 C ATOM 1848 OD1 ASN B 68 4.885 36.905 31.656 1.00 79.16 O ATOM 1849 ND2 ASN B 68 3.773 38.067 33.210 1.00 80.11 N ATOM 1850 HD22 ASN B 68 3.801 38.595 34.106 1.00 0.00 H ATOM 1851 HD21 ASN B 68 2.873 37.955 32.701 1.00 0.00 H ATOM 1852 H ASN B 68 5.345 36.254 35.541 1.00 0.00 H ATOM 1853 N LEU B 69 8.585 36.082 35.694 1.00 58.28 N ATOM 1854 CA LEU B 69 9.895 36.246 36.329 1.00 58.22 C ATOM 1855 C LEU B 69 11.008 35.616 35.494 1.00 60.90 C ATOM 1856 O LEU B 69 10.993 34.408 35.249 1.00 58.50 O ATOM 1857 CB LEU B 69 9.908 35.707 37.771 1.00 57.73 C ATOM 1858 CG LEU B 69 9.672 36.723 38.894 1.00 64.64 C ATOM 1859 CD1 LEU B 69 9.337 36.021 40.192 1.00 64.18 C ATOM 1860 CD2 LEU B 69 10.890 37.621 39.107 1.00 68.82 C ATOM 1861 H LEU B 69 7.901 35.426 36.123 1.00 0.00 H ATOM 1862 N SER B 70 11.949 36.452 35.029 1.00 59.05 N ATOM 1863 CA SER B 70 13.082 36.037 34.201 1.00 58.42 C ATOM 1864 C SER B 70 14.175 35.343 35.018 1.00 61.34 C ATOM 1865 O SER B 70 14.912 34.522 34.471 1.00 59.72 O ATOM 1866 CB SER B 70 13.662 37.235 33.455 1.00 64.49 C ATOM 1867 OG SER B 70 14.662 36.839 32.531 1.00 73.84 O ATOM 1868 HG SER B 70 15.397 36.386 33.016 1.00 0.00 H ATOM 1869 H SER B 70 11.868 37.460 35.273 1.00 0.00 H ATOM 1870 N VAL B 71 14.302 35.698 36.313 1.00 58.80 N ATOM 1871 CA VAL B 71 15.307 35.138 37.224 1.00 58.20 C ATOM 1872 C VAL B 71 14.626 34.590 38.488 1.00 61.54 C ATOM 1873 O VAL B 71 13.914 35.327 39.174 1.00 62.38 O ATOM 1874 CB VAL B 71 16.441 36.160 37.559 1.00 64.29 C ATOM 1875 CG1 VAL B 71 17.458 35.572 38.536 1.00 63.84 C ATOM 1876 CG2 VAL B 71 17.147 36.656 36.297 1.00 65.20 C ATOM 1877 H VAL B 71 13.647 36.413 36.689 1.00 0.00 H ATOM 1878 N ILE B 72 14.852 33.297 38.786 1.00 56.48 N ATOM 1879 CA ILE B 72 14.324 32.629 39.979 1.00 55.76 C ATOM 1880 C ILE B 72 15.500 32.307 40.907 1.00 59.94 C ATOM 1881 O ILE B 72 16.376 31.516 40.547 1.00 58.41 O ATOM 1882 CB ILE B 72 13.443 31.383 39.632 1.00 57.05 C ATOM 1883 CG1 ILE B 72 12.163 31.770 38.830 1.00 57.66 C ATOM 1884 CG2 ILE B 72 13.108 30.532 40.876 1.00 57.20 C ATOM 1885 CD1 ILE B 72 11.042 32.603 39.581 1.00 66.16 C ATOM 1886 H ILE B 72 15.436 32.739 38.131 1.00 0.00 H ATOM 1887 N ASN B 73 15.527 32.951 42.084 1.00 58.39 N ATOM 1888 CA ASN B 73 16.583 32.769 43.077 1.00 58.96 C ATOM 1889 C ASN B 73 16.198 31.750 44.143 1.00 62.29 C ATOM 1890 O ASN B 73 15.359 32.035 45.003 1.00 62.57 O ATOM 1891 CB ASN B 73 16.982 34.106 43.708 1.00 61.85 C ATOM 1892 CG ASN B 73 17.914 34.920 42.853 1.00 85.37 C ATOM 1893 OD1 ASN B 73 19.135 34.747 42.888 1.00 80.25 O ATOM 1894 ND2 ASN B 73 17.359 35.838 42.078 1.00 78.29 N ATOM 1895 HD22 ASN B 73 16.326 35.958 42.072 1.00 0.00 H ATOM 1896 HD21 ASN B 73 17.956 36.439 41.475 1.00 0.00 H ATOM 1897 H ASN B 73 14.756 33.614 42.301 1.00 0.00 H ATOM 1898 N LEU B 74 16.807 30.554 44.074 1.00 57.87 N ATOM 1899 CA LEU B 74 16.578 29.488 45.050 1.00 57.16 C ATOM 1900 C LEU B 74 17.429 29.756 46.300 1.00 63.15 C ATOM 1901 O LEU B 74 18.321 30.608 46.258 1.00 63.89 O ATOM 1902 CB LEU B 74 16.876 28.091 44.457 1.00 55.52 C ATOM 1903 CG LEU B 74 15.999 27.587 43.289 1.00 58.64 C ATOM 1904 CD1 LEU B 74 16.412 26.189 42.879 1.00 57.51 C ATOM 1905 CD2 LEU B 74 14.510 27.573 43.647 1.00 60.69 C ATOM 1906 H LEU B 74 17.470 30.378 43.292 1.00 0.00 H ATOM 1907 N ASP B 75 17.141 29.054 47.412 1.00 60.48 N ATOM 1908 CA ASP B 75 17.848 29.222 48.688 1.00 62.14 C ATOM 1909 C ASP B 75 19.341 28.842 48.589 1.00 66.63 C ATOM 1910 O ASP B 75 19.642 27.833 47.950 1.00 64.93 O ATOM 1911 CB ASP B 75 17.147 28.419 49.796 1.00 64.05 C ATOM 1912 CG ASP B 75 17.347 28.989 51.185 1.00 78.10 C ATOM 1913 OD1 ASP B 75 17.915 28.278 52.041 1.00 79.37 O ATOM 1914 OD2 ASP B 75 16.941 30.152 51.415 1.00 85.78 O ATOM 1915 H ASP B 75 16.374 28.353 47.365 1.00 0.00 H ATOM 1916 N PRO B 76 20.291 29.611 49.196 1.00 65.37 N ATOM 1917 CA PRO B 76 21.722 29.248 49.080 1.00 65.81 C ATOM 1918 C PRO B 76 22.125 27.915 49.723 1.00 69.23 C ATOM 1919 O PRO B 76 23.221 27.420 49.458 1.00 69.16 O ATOM 1920 CB PRO B 76 22.453 30.435 49.723 1.00 70.05 C ATOM 1921 CG PRO B 76 21.447 31.534 49.792 1.00 75.07 C ATOM 1922 CD PRO B 76 20.128 30.855 49.973 1.00 68.95 C ATOM 1923 N GLU B 77 21.235 27.329 50.548 1.00 65.21 N ATOM 1924 CA GLU B 77 21.437 26.040 51.212 1.00 64.72 C ATOM 1925 C GLU B 77 21.341 24.884 50.201 1.00 66.32 C ATOM 1926 O GLU B 77 21.923 23.824 50.436 1.00 65.95 O ATOM 1927 CB GLU B 77 20.403 25.865 52.339 1.00 66.44 C ATOM 1928 CG GLU B 77 20.834 24.921 53.452 1.00 78.04 C ATOM 1929 CD GLU B 77 20.490 23.455 53.259 1.00 96.76 C ATOM 1930 OE1 GLU B 77 19.316 23.148 52.948 1.00 88.76 O ATOM 1931 OE2 GLU B 77 21.391 22.608 53.454 1.00 90.92 O ATOM 1932 H GLU B 77 20.340 27.828 50.726 1.00 0.00 H ATOM 1933 N ILE B 78 20.617 25.098 49.078 1.00 61.16 N ATOM 1934 CA ILE B 78 20.420 24.112 48.007 1.00 59.28 C ATOM 1935 C ILE B 78 21.743 23.803 47.306 1.00 62.91 C ATOM 1936 O ILE B 78 22.444 24.719 46.872 1.00 63.37 O ATOM 1937 CB ILE B 78 19.278 24.533 47.023 1.00 61.23 C ATOM 1938 CG1 ILE B 78 17.946 24.866 47.763 1.00 61.77 C ATOM 1939 CG2 ILE B 78 19.057 23.511 45.891 1.00 60.60 C ATOM 1940 CD1 ILE B 78 17.369 23.784 48.776 1.00 68.66 C ATOM 1941 H ILE B 78 20.167 26.029 48.965 1.00 0.00 H ATOM 1942 N ASN B 79 22.087 22.504 47.236 1.00 58.63 N ATOM 1943 CA ASN B 79 23.315 21.998 46.629 1.00 58.73 C ATOM 1944 C ASN B 79 23.317 22.222 45.105 1.00 60.93 C ATOM 1945 O ASN B 79 22.387 21.764 44.432 1.00 58.97 O ATOM 1946 CB ASN B 79 23.510 20.512 46.970 1.00 59.73 C ATOM 1947 CG ASN B 79 24.952 20.073 47.098 1.00 85.67 C ATOM 1948 OD1 ASN B 79 25.842 20.516 46.365 1.00 81.17 O ATOM 1949 ND2 ASN B 79 25.214 19.167 48.026 1.00 78.93 N ATOM 1950 HD22 ASN B 79 24.449 18.808 48.632 1.00 0.00 H ATOM 1951 HD21 ASN B 79 26.185 18.814 48.149 1.00 0.00 H ATOM 1952 H ASN B 79 21.430 21.809 47.644 1.00 0.00 H ATOM 1953 N PRO B 80 24.333 22.938 44.550 1.00 57.99 N ATOM 1954 CA PRO B 80 24.363 23.183 43.094 1.00 57.10 C ATOM 1955 C PRO B 80 24.452 21.917 42.242 1.00 59.34 C ATOM 1956 O PRO B 80 23.802 21.853 41.197 1.00 57.79 O ATOM 1957 CB PRO B 80 25.597 24.074 42.909 1.00 60.80 C ATOM 1958 CG PRO B 80 25.866 24.654 44.253 1.00 66.48 C ATOM 1959 CD PRO B 80 25.488 23.575 45.212 1.00 61.39 C ATOM 1960 N GLU B 81 25.241 20.913 42.690 1.00 56.02 N ATOM 1961 CA GLU B 81 25.390 19.634 41.986 1.00 55.38 C ATOM 1962 C GLU B 81 24.100 18.807 42.040 1.00 56.82 C ATOM 1963 O GLU B 81 23.772 18.127 41.068 1.00 55.79 O ATOM 1964 CB GLU B 81 26.629 18.841 42.463 1.00 58.50 C ATOM 1965 CG GLU B 81 26.611 18.396 43.918 1.00 69.98 C ATOM 1966 CD GLU B 81 27.972 18.163 44.545 1.00 92.94 C ATOM 1967 OE1 GLU B 81 28.291 18.857 45.537 1.00 86.11 O ATOM 1968 OE2 GLU B 81 28.715 17.281 44.057 1.00 89.01 O ATOM 1969 H GLU B 81 25.767 21.055 43.576 1.00 0.00 H ATOM 1970 N GLY B 82 23.374 18.919 43.155 1.00 52.32 N ATOM 1971 CA GLY B 82 22.096 18.253 43.379 1.00 50.73 C ATOM 1972 C GLY B 82 21.020 18.752 42.436 1.00 52.53 C ATOM 1973 O GLY B 82 20.267 17.949 41.879 1.00 51.24 O ATOM 1974 H GLY B 82 23.745 19.523 43.916 1.00 0.00 H ATOM 1975 N PHE B 83 20.961 20.087 42.229 1.00 48.52 N ATOM 1976 CA PHE B 83 20.005 20.712 41.314 1.00 47.16 C ATOM 1977 C PHE B 83 20.359 20.404 39.857 1.00 50.33 C ATOM 1978 O PHE B 83 19.451 20.198 39.050 1.00 49.18 O ATOM 1979 CB PHE B 83 19.893 22.234 41.546 1.00 49.27 C ATOM 1980 CG PHE B 83 18.901 22.915 40.627 1.00 50.00 C ATOM 1981 CD1 PHE B 83 17.536 22.853 40.881 1.00 52.38 C ATOM 1982 CD2 PHE B 83 19.330 23.589 39.489 1.00 52.31 C ATOM 1983 CE1 PHE B 83 16.618 23.454 40.015 1.00 52.77 C ATOM 1984 CE2 PHE B 83 18.411 24.191 38.624 1.00 54.63 C ATOM 1985 CZ PHE B 83 17.061 24.115 38.891 1.00 51.95 C ATOM 1986 H PHE B 83 21.626 20.698 42.744 1.00 0.00 H ATOM 1987 N ASN B 84 21.669 20.384 39.525 1.00 47.33 N ATOM 1988 CA ASN B 84 22.180 20.102 38.180 1.00 47.07 C ATOM 1989 C ASN B 84 21.801 18.691 37.723 1.00 49.94 C ATOM 1990 O ASN B 84 21.374 18.526 36.581 1.00 49.21 O ATOM 1991 CB ASN B 84 23.699 20.308 38.115 1.00 49.13 C ATOM 1992 CG ASN B 84 24.249 20.627 36.738 1.00 70.46 C ATOM 1993 OD1 ASN B 84 23.671 20.291 35.694 1.00 62.17 O ATOM 1994 ND2 ASN B 84 25.415 21.252 36.709 1.00 63.85 N ATOM 1995 HD22 ASN B 84 25.881 21.524 37.598 1.00 0.00 H ATOM 1996 HD21 ASN B 84 25.865 21.471 35.797 1.00 0.00 H ATOM 1997 H ASN B 84 22.362 20.582 40.275 1.00 0.00 H ATOM 1998 N ILE B 85 21.933 17.686 38.622 1.00 46.32 N ATOM 1999 CA ILE B 85 21.577 16.282 38.369 1.00 45.83 C ATOM 2000 C ILE B 85 20.068 16.183 38.080 1.00 47.91 C ATOM 2001 O ILE B 85 19.668 15.515 37.123 1.00 47.32 O ATOM 2002 CB ILE B 85 22.048 15.363 39.545 1.00 49.80 C ATOM 2003 CG1 ILE B 85 23.583 15.157 39.502 1.00 51.84 C ATOM 2004 CG2 ILE B 85 21.313 14.005 39.566 1.00 50.31 C ATOM 2005 CD1 ILE B 85 24.249 14.771 40.856 1.00 59.64 C ATOM 2006 H ILE B 85 22.314 17.925 39.560 1.00 0.00 H ATOM 2007 N LEU B 86 19.252 16.892 38.881 1.00 43.52 N ATOM 2008 CA LEU B 86 17.797 16.929 38.746 1.00 42.26 C ATOM 2009 C LEU B 86 17.320 17.678 37.506 1.00 45.00 C ATOM 2010 O LEU B 86 16.325 17.266 36.912 1.00 44.20 O ATOM 2011 CB LEU B 86 17.132 17.476 40.016 1.00 42.21 C ATOM 2012 CG LEU B 86 17.090 16.513 41.201 1.00 47.62 C ATOM 2013 CD1 LEU B 86 16.773 17.242 42.471 1.00 48.09 C ATOM 2014 CD2 LEU B 86 16.069 15.415 40.984 1.00 50.18 C ATOM 2015 H LEU B 86 19.684 17.449 39.645 1.00 0.00 H ATOM 2016 N LEU B 87 18.026 18.759 37.110 1.00 41.51 N ATOM 2017 CA LEU B 87 17.722 19.547 35.910 1.00 40.98 C ATOM 2018 C LEU B 87 18.031 18.705 34.665 1.00 44.84 C ATOM 2019 O LEU B 87 17.262 18.734 33.703 1.00 43.67 O ATOM 2020 CB LEU B 87 18.535 20.860 35.896 1.00 41.66 C ATOM 2021 CG LEU B 87 18.274 21.839 34.742 1.00 46.37 C ATOM 2022 CD1 LEU B 87 17.047 22.701 35.008 1.00 46.15 C ATOM 2023 CD2 LEU B 87 19.479 22.724 34.505 1.00 49.84 C ATOM 2024 H LEU B 87 18.836 19.052 37.692 1.00 0.00 H ATOM 2025 N ASP B 88 19.150 17.944 34.706 1.00 42.36 N ATOM 2026 CA ASP B 88 19.591 17.045 33.638 1.00 42.85 C ATOM 2027 C ASP B 88 18.565 15.931 33.445 1.00 45.99 C ATOM 2028 O ASP B 88 18.216 15.616 32.307 1.00 45.68 O ATOM 2029 CB ASP B 88 20.967 16.447 33.967 1.00 46.14 C ATOM 2030 CG ASP B 88 21.994 16.658 32.878 1.00 59.35 C ATOM 2031 OD1 ASP B 88 21.964 15.906 31.880 1.00 60.54 O ATOM 2032 OD2 ASP B 88 22.836 17.569 33.028 1.00 66.79 O ATOM 2033 H ASP B 88 19.740 18.002 35.560 1.00 0.00 H ATOM 2034 N PHE B 89 18.053 15.375 34.566 1.00 42.01 N ATOM 2035 CA PHE B 89 17.038 14.319 34.600 1.00 41.70 C ATOM 2036 C PHE B 89 15.726 14.760 33.931 1.00 45.18 C ATOM 2037 O PHE B 89 15.069 13.950 33.282 1.00 44.87 O ATOM 2038 CB PHE B 89 16.789 13.856 36.053 1.00 43.55 C ATOM 2039 CG PHE B 89 15.470 13.149 36.261 1.00 44.92 C ATOM 2040 CD1 PHE B 89 15.292 11.838 35.837 1.00 48.72 C ATOM 2041 CD2 PHE B 89 14.388 13.814 36.825 1.00 46.47 C ATOM 2042 CE1 PHE B 89 14.059 11.205 35.978 1.00 49.96 C ATOM 2043 CE2 PHE B 89 13.155 13.176 36.968 1.00 49.67 C ATOM 2044 CZ PHE B 89 13.002 11.874 36.549 1.00 48.59 C ATOM 2045 H PHE B 89 18.409 15.725 35.478 1.00 0.00 H ATOM 2046 N MET B 90 15.343 16.029 34.119 1.00 41.65 N ATOM 2047 CA MET B 90 14.122 16.623 33.569 1.00 41.25 C ATOM 2048 C MET B 90 14.082 16.613 32.041 1.00 45.11 C ATOM 2049 O MET B 90 13.012 16.429 31.461 1.00 44.44 O ATOM 2050 CB MET B 90 13.971 18.056 34.075 1.00 43.35 C ATOM 2051 CG MET B 90 13.535 18.145 35.517 1.00 47.28 C ATOM 2052 SD MET B 90 13.559 19.825 36.187 1.00 51.71 S ATOM 2053 CE MET B 90 12.806 20.699 34.871 1.00 48.26 C ATOM 2054 H MET B 90 15.957 16.637 34.698 1.00 0.00 H ATOM 2055 N TYR B 91 15.246 16.809 31.402 1.00 42.45 N ATOM 2056 CA TYR B 91 15.401 16.864 29.950 1.00 42.84 C ATOM 2057 C TYR B 91 15.873 15.547 29.303 1.00 47.76 C ATOM 2058 O TYR B 91 15.831 15.438 28.074 1.00 47.93 O ATOM 2059 CB TYR B 91 16.367 18.003 29.581 1.00 44.28 C ATOM 2060 CG TYR B 91 15.773 19.391 29.681 1.00 45.43 C ATOM 2061 CD1 TYR B 91 15.122 19.971 28.596 1.00 47.33 C ATOM 2062 CD2 TYR B 91 15.913 20.149 30.839 1.00 45.92 C ATOM 2063 CE1 TYR B 91 14.604 21.263 28.669 1.00 47.89 C ATOM 2064 CE2 TYR B 91 15.395 21.441 30.926 1.00 46.67 C ATOM 2065 CZ TYR B 91 14.743 21.995 29.836 1.00 53.70 C ATOM 2066 OH TYR B 91 14.226 23.264 29.914 1.00 55.29 O ATOM 2067 HH TYR B 91 13.798 23.498 29.052 1.00 0.00 H ATOM 2068 H TYR B 91 16.100 16.931 31.983 1.00 0.00 H ATOM 2069 N THR B 92 16.339 14.566 30.107 1.00 44.84 N ATOM 2070 CA THR B 92 16.872 13.296 29.584 1.00 45.86 C ATOM 2071 C THR B 92 16.161 12.024 30.080 1.00 50.16 C ATOM 2072 O THR B 92 16.352 10.964 29.479 1.00 50.76 O ATOM 2073 CB THR B 92 18.388 13.182 29.866 1.00 54.54 C ATOM 2074 OG1 THR B 92 18.613 13.138 31.276 1.00 53.67 O ATOM 2075 CG2 THR B 92 19.209 14.297 29.224 1.00 53.39 C ATOM 2076 HG1 THR B 92 18.263 13.966 31.691 1.00 0.00 H ATOM 2077 H THR B 92 16.321 14.713 31.136 1.00 0.00 H ATOM 2078 N SER B 93 15.391 12.121 31.193 1.00 46.30 N ATOM 2079 CA SER B 93 14.680 11.036 31.904 1.00 46.74 C ATOM 2080 C SER B 93 15.653 10.069 32.626 1.00 51.78 C ATOM 2081 O SER B 93 15.220 9.062 33.193 1.00 52.23 O ATOM 2082 CB SER B 93 13.688 10.298 31.001 1.00 50.82 C ATOM 2083 OG SER B 93 14.313 9.326 30.180 1.00 61.24 O ATOM 2084 HG SER B 93 14.982 9.767 29.599 1.00 0.00 H ATOM 2085 H SER B 93 15.288 13.075 31.595 1.00 0.00 H ATOM 2086 N ARG B 94 16.960 10.409 32.630 1.00 48.50 N ATOM 2087 CA ARG B 94 18.029 9.635 33.260 1.00 49.61 C ATOM 2088 C ARG B 94 18.529 10.344 34.515 1.00 53.28 C ATOM 2089 O ARG B 94 18.974 11.492 34.444 1.00 52.05 O ATOM 2090 CB ARG B 94 19.178 9.376 32.270 1.00 50.99 C ATOM 2091 CG ARG B 94 18.893 8.243 31.296 1.00 62.87 C ATOM 2092 CD ARG B 94 19.950 8.134 30.216 1.00 75.70 C ATOM 2093 NE ARG B 94 19.622 8.948 29.044 1.00 84.99 N ATOM 2094 CZ ARG B 94 20.151 10.140 28.780 1.00 99.13 C ATOM 2095 NH1 ARG B 94 19.792 10.803 27.689 1.00 85.50 N ATOM 2096 NH2 ARG B 94 21.047 10.675 29.601 1.00 86.31 N ATOM 2097 HE ARG B 94 18.927 8.568 28.371 1.00 0.00 H ATOM 2098 HH12 ARG B 94 20.208 11.734 27.486 1.00 0.00 H ATOM 2099 HH11 ARG B 94 19.095 10.391 27.036 1.00 0.00 H ATOM 2100 HH22 ARG B 94 21.456 11.607 29.388 1.00 0.00 H ATOM 2101 HH21 ARG B 94 21.340 10.162 30.457 1.00 0.00 H ATOM 2102 H ARG B 94 17.227 11.290 32.147 1.00 0.00 H ATOM 2103 N LEU B 95 18.430 9.661 35.665 1.00 50.85 N ATOM 2104 CA LEU B 95 18.833 10.183 36.970 1.00 50.59 C ATOM 2105 C LEU B 95 20.139 9.536 37.443 1.00 56.37 C ATOM 2106 O LEU B 95 20.205 8.315 37.603 1.00 57.28 O ATOM 2107 CB LEU B 95 17.689 9.967 37.984 1.00 50.37 C ATOM 2108 CG LEU B 95 17.812 10.594 39.377 1.00 54.83 C ATOM 2109 CD1 LEU B 95 17.695 12.114 39.327 1.00 53.68 C ATOM 2110 CD2 LEU B 95 16.738 10.052 40.288 1.00 57.49 C ATOM 2111 H LEU B 95 18.041 8.697 35.626 1.00 0.00 H ATOM 2112 N ASN B 96 21.178 10.363 37.646 1.00 53.38 N ATOM 2113 CA ASN B 96 22.496 9.916 38.092 1.00 55.06 C ATOM 2114 C ASN B 96 22.546 9.828 39.627 1.00 59.80 C ATOM 2115 O ASN B 96 23.012 10.756 40.295 1.00 59.06 O ATOM 2116 CB ASN B 96 23.598 10.825 37.522 1.00 56.56 C ATOM 2117 CG ASN B 96 24.997 10.307 37.746 1.00 83.51 C ATOM 2118 OD1 ASN B 96 25.518 9.499 36.972 1.00 79.51 O ATOM 2119 ND2 ASN B 96 25.640 10.772 38.806 1.00 76.72 N ATOM 2120 HD22 ASN B 96 25.174 11.452 39.440 1.00 0.00 H ATOM 2121 HD21 ASN B 96 26.611 10.457 39.005 1.00 0.00 H ATOM 2122 H ASN B 96 21.036 11.379 37.476 1.00 0.00 H ATOM 2123 N LEU B 97 22.038 8.709 40.178 1.00 57.69 N ATOM 2124 CA LEU B 97 22.013 8.460 41.620 1.00 58.32 C ATOM 2125 C LEU B 97 23.107 7.495 42.049 1.00 64.59 C ATOM 2126 O LEU B 97 23.078 6.321 41.677 1.00 65.61 O ATOM 2127 CB LEU B 97 20.650 7.913 42.079 1.00 58.17 C ATOM 2128 CG LEU B 97 19.596 8.885 42.597 1.00 61.52 C ATOM 2129 CD1 LEU B 97 18.360 8.123 43.029 1.00 62.16 C ATOM 2130 CD2 LEU B 97 20.109 9.698 43.777 1.00 64.03 C ATOM 2131 H LEU B 97 21.643 7.984 39.546 1.00 0.00 H ATOM 2132 N ARG B 98 24.053 7.989 42.853 1.00 61.77 N ATOM 2133 CA ARG B 98 25.158 7.207 43.405 1.00 63.94 C ATOM 2134 C ARG B 98 25.329 7.538 44.890 1.00 68.10 C ATOM 2135 O ARG B 98 24.821 8.567 45.341 1.00 66.12 O ATOM 2136 CB ARG B 98 26.454 7.440 42.604 1.00 65.65 C ATOM 2137 CG ARG B 98 26.806 6.291 41.652 1.00 79.63 C ATOM 2138 CD ARG B 98 26.101 6.376 40.304 1.00 90.23 C ATOM 2139 NE ARG B 98 25.573 5.075 39.884 1.00100.88 N ATOM 2140 CZ ARG B 98 24.419 4.899 39.244 1.00113.85 C ATOM 2141 NH1 ARG B 98 23.648 5.940 38.951 1.00 98.62 N ATOM 2142 NH2 ARG B 98 24.018 3.680 38.910 1.00101.84 N ATOM 2143 HE ARG B 98 26.139 4.230 40.101 1.00 0.00 H ATOM 2144 HH12 ARG B 98 22.748 5.796 38.451 1.00 0.00 H ATOM 2145 HH11 ARG B 98 23.945 6.899 39.222 1.00 0.00 H ATOM 2146 HH22 ARG B 98 23.116 3.548 38.410 1.00 0.00 H ATOM 2147 HH21 ARG B 98 24.606 2.856 39.148 1.00 0.00 H ATOM 2148 H ARG B 98 24.000 8.997 43.103 1.00 0.00 H ATOM 2149 N GLU B 99 26.023 6.663 45.651 1.00 66.84 N ATOM 2150 CA GLU B 99 26.249 6.810 47.097 1.00 67.49 C ATOM 2151 C GLU B 99 26.882 8.148 47.522 1.00 70.42 C ATOM 2152 O GLU B 99 26.653 8.596 48.647 1.00 69.93 O ATOM 2153 CB GLU B 99 27.058 5.631 47.658 1.00 71.74 C ATOM 2154 CG GLU B 99 26.218 4.628 48.436 1.00 84.03 C ATOM 2155 CD GLU B 99 25.583 5.137 49.718 1.00105.62 C ATOM 2156 OE1 GLU B 99 26.326 5.605 50.611 1.00101.70 O ATOM 2157 OE2 GLU B 99 24.339 5.050 49.836 1.00 98.89 O ATOM 2158 H GLU B 99 26.426 5.827 45.181 1.00 0.00 H ATOM 2159 N GLY B 100 27.647 8.766 46.623 1.00 66.39 N ATOM 2160 CA GLY B 100 28.302 10.046 46.865 1.00 65.79 C ATOM 2161 C GLY B 100 27.405 11.260 46.703 1.00 66.91 C ATOM 2162 O GLY B 100 27.756 12.342 47.180 1.00 66.38 O ATOM 2163 H GLY B 100 27.784 8.311 45.698 1.00 0.00 H ATOM 2164 N ASN B 101 26.242 11.099 46.028 1.00 61.46 N ATOM 2165 CA ASN B 101 25.301 12.200 45.784 1.00 59.07 C ATOM 2166 C ASN B 101 23.843 11.921 46.213 1.00 61.55 C ATOM 2167 O ASN B 101 23.024 12.840 46.147 1.00 59.96 O ATOM 2168 CB ASN B 101 25.354 12.653 44.309 1.00 58.44 C ATOM 2169 CG ASN B 101 25.022 11.599 43.270 1.00 79.89 C ATOM 2170 OD1 ASN B 101 24.068 10.819 43.391 1.00 72.67 O ATOM 2171 ND2 ASN B 101 25.764 11.609 42.174 1.00 72.86 N ATOM 2172 HD22 ASN B 101 26.561 12.272 42.092 1.00 0.00 H ATOM 2173 HD21 ASN B 101 25.550 10.954 41.395 1.00 0.00 H ATOM 2174 H ASN B 101 26.005 10.153 45.666 1.00 0.00 H ATOM 2175 N ILE B 102 23.526 10.678 46.653 1.00 58.59 N ATOM 2176 CA ILE B 102 22.181 10.235 47.070 1.00 57.78 C ATOM 2177 C ILE B 102 21.500 11.225 48.037 1.00 60.73 C ATOM 2178 O ILE B 102 20.352 11.598 47.794 1.00 59.20 O ATOM 2179 CB ILE B 102 22.151 8.762 47.615 1.00 62.65 C ATOM 2180 CG1 ILE B 102 20.756 8.345 48.169 1.00 63.04 C ATOM 2181 CG2 ILE B 102 23.242 8.494 48.661 1.00 65.22 C ATOM 2182 CD1 ILE B 102 19.607 8.202 47.165 1.00 69.39 C ATOM 2183 H ILE B 102 24.294 9.979 46.701 1.00 0.00 H ATOM 2184 N MET B 103 22.206 11.658 49.098 1.00 57.95 N ATOM 2185 CA MET B 103 21.673 12.587 50.097 1.00 57.39 C ATOM 2186 C MET B 103 21.416 13.981 49.533 1.00 59.05 C ATOM 2187 O MET B 103 20.368 14.566 49.817 1.00 57.68 O ATOM 2188 CB MET B 103 22.558 12.635 51.355 1.00 61.42 C ATOM 2189 CG MET B 103 22.633 11.308 52.117 1.00 66.84 C ATOM 2190 SD MET B 103 21.071 10.389 52.278 1.00 71.03 S ATOM 2191 CE MET B 103 20.181 11.440 53.407 1.00 67.54 C ATOM 2192 H MET B 103 23.181 11.315 49.215 1.00 0.00 H ATOM 2193 N ALA B 104 22.351 14.490 48.707 1.00 55.10 N ATOM 2194 CA ALA B 104 22.249 15.795 48.054 1.00 53.75 C ATOM 2195 C ALA B 104 21.094 15.826 47.048 1.00 55.92 C ATOM 2196 O ALA B 104 20.410 16.843 46.958 1.00 54.83 O ATOM 2197 CB ALA B 104 23.559 16.143 47.365 1.00 55.03 C ATOM 2198 H ALA B 104 23.200 13.918 48.522 1.00 0.00 H ATOM 2199 N VAL B 105 20.859 14.713 46.318 1.00 52.02 N ATOM 2200 CA VAL B 105 19.773 14.601 45.337 1.00 50.61 C ATOM 2201 C VAL B 105 18.409 14.486 46.051 1.00 54.22 C ATOM 2202 O VAL B 105 17.476 15.202 45.682 1.00 52.87 O ATOM 2203 CB VAL B 105 20.022 13.480 44.284 1.00 54.65 C ATOM 2204 CG1 VAL B 105 18.814 13.279 43.367 1.00 53.43 C ATOM 2205 CG2 VAL B 105 21.271 13.770 43.453 1.00 54.71 C ATOM 2206 H VAL B 105 21.481 13.892 46.459 1.00 0.00 H ATOM 2207 N MET B 106 18.315 13.617 47.086 1.00 51.74 N ATOM 2208 CA MET B 106 17.103 13.386 47.887 1.00 51.97 C ATOM 2209 C MET B 106 16.587 14.677 48.538 1.00 55.12 C ATOM 2210 O MET B 106 15.390 14.952 48.459 1.00 54.39 O ATOM 2211 CB MET B 106 17.353 12.303 48.951 1.00 56.02 C ATOM 2212 CG MET B 106 16.089 11.692 49.517 1.00 60.56 C ATOM 2213 SD MET B 106 16.463 10.400 50.724 1.00 67.16 S ATOM 2214 CE MET B 106 15.096 9.304 50.452 1.00 64.66 C ATOM 2215 H MET B 106 19.165 13.071 47.333 1.00 0.00 H ATOM 2216 N ALA B 107 17.491 15.468 49.155 1.00 51.70 N ATOM 2217 CA ALA B 107 17.163 16.737 49.812 1.00 51.42 C ATOM 2218 C ALA B 107 16.683 17.797 48.817 1.00 53.46 C ATOM 2219 O ALA B 107 15.740 18.527 49.124 1.00 53.23 O ATOM 2220 CB ALA B 107 18.362 17.251 50.594 1.00 53.08 C ATOM 2221 H ALA B 107 18.483 15.157 49.165 1.00 0.00 H ATOM 2222 N THR B 108 17.320 17.869 47.627 1.00 48.82 N ATOM 2223 CA THR B 108 16.969 18.816 46.562 1.00 47.37 C ATOM 2224 C THR B 108 15.621 18.442 45.927 1.00 49.64 C ATOM 2225 O THR B 108 14.819 19.334 45.654 1.00 48.97 O ATOM 2226 CB THR B 108 18.126 18.968 45.550 1.00 55.87 C ATOM 2227 OG1 THR B 108 19.344 19.204 46.257 1.00 56.83 O ATOM 2228 CG2 THR B 108 17.903 20.110 44.557 1.00 53.95 C ATOM 2229 HG1 THR B 108 19.528 18.440 46.859 1.00 0.00 H ATOM 2230 H THR B 108 18.108 17.212 47.455 1.00 0.00 H ATOM 2231 N ALA B 109 15.361 17.130 45.732 1.00 45.65 N ATOM 2232 CA ALA B 109 14.106 16.616 45.166 1.00 45.06 C ATOM 2233 C ALA B 109 12.915 16.899 46.081 1.00 49.26 C ATOM 2234 O ALA B 109 11.807 17.112 45.586 1.00 48.50 O ATOM 2235 CB ALA B 109 14.217 15.125 44.895 1.00 46.20 C ATOM 2236 H ALA B 109 16.094 16.442 45.999 1.00 0.00 H ATOM 2237 N MET B 110 13.151 16.917 47.410 1.00 46.94 N ATOM 2238 CA MET B 110 12.148 17.224 48.433 1.00 47.86 C ATOM 2239 C MET B 110 11.749 18.703 48.346 1.00 51.26 C ATOM 2240 O MET B 110 10.557 19.013 48.374 1.00 51.02 O ATOM 2241 CB MET B 110 12.691 16.905 49.832 1.00 51.59 C ATOM 2242 CG MET B 110 12.583 15.446 50.208 1.00 56.36 C ATOM 2243 SD MET B 110 13.038 15.155 51.933 1.00 62.55 S ATOM 2244 CE MET B 110 11.597 15.833 52.762 1.00 60.43 C ATOM 2245 H MET B 110 14.115 16.697 47.731 1.00 0.00 H ATOM 2246 N TYR B 111 12.753 19.602 48.220 1.00 47.69 N ATOM 2247 CA TYR B 111 12.592 21.055 48.095 1.00 47.72 C ATOM 2248 C TYR B 111 11.888 21.420 46.783 1.00 50.48 C ATOM 2249 O TYR B 111 11.028 22.303 46.782 1.00 50.58 O ATOM 2250 CB TYR B 111 13.965 21.752 48.199 1.00 49.21 C ATOM 2251 CG TYR B 111 13.951 23.245 47.937 1.00 51.51 C ATOM 2252 CD1 TYR B 111 13.603 24.146 48.940 1.00 54.88 C ATOM 2253 CD2 TYR B 111 14.356 23.761 46.709 1.00 51.51 C ATOM 2254 CE1 TYR B 111 13.609 25.522 48.711 1.00 56.37 C ATOM 2255 CE2 TYR B 111 14.373 25.135 46.471 1.00 52.99 C ATOM 2256 CZ TYR B 111 13.997 26.012 47.475 1.00 62.03 C ATOM 2257 OH TYR B 111 14.011 27.366 47.243 1.00 64.21 O ATOM 2258 HH TYR B 111 13.716 27.843 48.059 1.00 0.00 H ATOM 2259 H TYR B 111 13.724 19.230 48.211 1.00 0.00 H ATOM 2260 N LEU B 112 12.255 20.743 45.675 1.00 45.72 N ATOM 2261 CA LEU B 112 11.665 20.973 44.352 1.00 44.69 C ATOM 2262 C LEU B 112 10.309 20.269 44.182 1.00 48.39 C ATOM 2263 O LEU B 112 9.645 20.465 43.163 1.00 47.48 O ATOM 2264 CB LEU B 112 12.635 20.564 43.222 1.00 43.79 C ATOM 2265 CG LEU B 112 13.967 21.316 43.114 1.00 48.48 C ATOM 2266 CD1 LEU B 112 14.898 20.615 42.147 1.00 48.08 C ATOM 2267 CD2 LEU B 112 13.771 22.771 42.708 1.00 51.00 C ATOM 2268 H LEU B 112 12.996 20.019 45.764 1.00 0.00 H ATOM 2269 N GLN B 113 9.896 19.468 45.191 1.00 45.67 N ATOM 2270 CA GLN B 113 8.642 18.702 45.231 1.00 46.07 C ATOM 2271 C GLN B 113 8.540 17.720 44.053 1.00 48.81 C ATOM 2272 O GLN B 113 7.628 17.811 43.229 1.00 48.12 O ATOM 2273 CB GLN B 113 7.402 19.617 45.354 1.00 48.20 C ATOM 2274 CG GLN B 113 7.334 20.424 46.646 1.00 63.53 C ATOM 2275 CD GLN B 113 6.356 21.568 46.539 1.00 81.91 C ATOM 2276 OE1 GLN B 113 5.142 21.378 46.405 1.00 78.44 O ATOM 2277 NE2 GLN B 113 6.865 22.788 46.610 1.00 73.23 N ATOM 2278 HE22 GLN B 113 7.891 22.918 46.723 1.00 0.00 H ATOM 2279 HE21 GLN B 113 6.239 23.617 46.553 1.00 0.00 H ATOM 2280 H GLN B 113 10.525 19.387 46.016 1.00 0.00 H ATOM 2281 N MET B 114 9.521 16.807 43.966 1.00 44.91 N ATOM 2282 CA MET B 114 9.611 15.768 42.938 1.00 44.26 C ATOM 2283 C MET B 114 9.423 14.426 43.658 1.00 49.48 C ATOM 2284 O MET B 114 10.395 13.724 43.949 1.00 48.99 O ATOM 2285 CB MET B 114 10.959 15.856 42.184 1.00 45.52 C ATOM 2286 CG MET B 114 11.158 17.171 41.439 1.00 48.11 C ATOM 2287 SD MET B 114 12.785 17.365 40.663 1.00 51.42 S ATOM 2288 CE MET B 114 12.533 16.471 39.142 1.00 47.81 C ATOM 2289 H MET B 114 10.274 16.840 44.683 1.00 0.00 H ATOM 2290 N GLU B 115 8.152 14.120 43.999 1.00 47.74 N ATOM 2291 CA GLU B 115 7.698 12.949 44.764 1.00 49.45 C ATOM 2292 C GLU B 115 8.199 11.600 44.245 1.00 53.76 C ATOM 2293 O GLU B 115 8.617 10.771 45.054 1.00 54.27 O ATOM 2294 CB GLU B 115 6.166 12.929 44.893 1.00 52.26 C ATOM 2295 CG GLU B 115 5.606 14.048 45.760 1.00 64.01 C ATOM 2296 CD GLU B 115 4.095 14.131 45.885 1.00 87.00 C ATOM 2297 OE1 GLU B 115 3.381 13.553 45.033 1.00 83.58 O ATOM 2298 OE2 GLU B 115 3.624 14.807 46.828 1.00 81.37 O ATOM 2299 H GLU B 115 7.415 14.784 43.687 1.00 0.00 H ATOM 2300 N HIS B 116 8.154 11.375 42.917 1.00 50.13 N ATOM 2301 CA HIS B 116 8.608 10.118 42.312 1.00 50.72 C ATOM 2302 C HIS B 116 10.128 9.936 42.392 1.00 53.02 C ATOM 2303 O HIS B 116 10.596 8.800 42.480 1.00 53.47 O ATOM 2304 CB HIS B 116 8.090 9.955 40.876 1.00 51.51 C ATOM 2305 CG HIS B 116 6.597 9.976 40.758 1.00 56.28 C ATOM 2306 ND1 HIS B 116 5.941 11.001 40.097 1.00 57.37 N ATOM 2307 CD2 HIS B 116 5.678 9.097 41.224 1.00 60.28 C ATOM 2308 CE1 HIS B 116 4.652 10.712 40.178 1.00 58.39 C ATOM 2309 NE2 HIS B 116 4.444 9.578 40.849 1.00 60.53 N ATOM 2310 H HIS B 116 7.783 12.122 42.296 1.00 0.00 H ATOM 2311 N VAL B 117 10.889 11.052 42.392 1.00 47.84 N ATOM 2312 CA VAL B 117 12.351 11.047 42.530 1.00 47.19 C ATOM 2313 C VAL B 117 12.691 10.670 43.984 1.00 51.71 C ATOM 2314 O VAL B 117 13.555 9.819 44.207 1.00 52.06 O ATOM 2315 CB VAL B 117 13.007 12.387 42.091 1.00 49.67 C ATOM 2316 CG1 VAL B 117 14.518 12.364 42.307 1.00 49.45 C ATOM 2317 CG2 VAL B 117 12.686 12.708 40.634 1.00 48.59 C ATOM 2318 H VAL B 117 10.411 11.970 42.288 1.00 0.00 H ATOM 2319 N VAL B 118 11.964 11.270 44.958 1.00 48.10 N ATOM 2320 CA VAL B 118 12.086 11.007 46.401 1.00 49.00 C ATOM 2321 C VAL B 118 11.789 9.515 46.661 1.00 54.27 C ATOM 2322 O VAL B 118 12.511 8.871 47.426 1.00 54.73 O ATOM 2323 CB VAL B 118 11.172 11.960 47.232 1.00 53.04 C ATOM 2324 CG1 VAL B 118 11.121 11.564 48.706 1.00 54.51 C ATOM 2325 CG2 VAL B 118 11.617 13.413 47.092 1.00 51.46 C ATOM 2326 H VAL B 118 11.261 11.976 44.661 1.00 0.00 H ATOM 2327 N ASP B 119 10.759 8.973 45.971 1.00 51.30 N ATOM 2328 CA ASP B 119 10.331 7.572 46.025 1.00 53.12 C ATOM 2329 C ASP B 119 11.436 6.626 45.530 1.00 56.87 C ATOM 2330 O ASP B 119 11.615 5.556 46.109 1.00 58.28 O ATOM 2331 CB ASP B 119 9.037 7.380 45.209 1.00 55.51 C ATOM 2332 CG ASP B 119 8.524 5.953 45.142 1.00 69.24 C ATOM 2333 OD1 ASP B 119 8.171 5.397 46.206 1.00 71.82 O ATOM 2334 OD2 ASP B 119 8.448 5.404 44.023 1.00 75.89 O ATOM 2335 H ASP B 119 10.222 9.608 45.346 1.00 0.00 H ATOM 2336 N THR B 120 12.172 7.019 44.467 1.00 51.59 N ATOM 2337 CA THR B 120 13.271 6.215 43.920 1.00 51.76 C ATOM 2338 C THR B 120 14.517 6.333 44.801 1.00 55.53 C ATOM 2339 O THR B 120 15.266 5.362 44.923 1.00 56.39 O ATOM 2340 CB THR B 120 13.527 6.514 42.436 1.00 59.09 C ATOM 2341 OG1 THR B 120 13.740 7.913 42.252 1.00 57.94 O ATOM 2342 CG2 THR B 120 12.396 6.025 41.541 1.00 58.02 C ATOM 2343 HG1 THR B 120 12.938 8.410 42.552 1.00 0.00 H ATOM 2344 H THR B 120 11.950 7.930 44.017 1.00 0.00 H ATOM 2345 N CYS B 121 14.712 7.508 45.444 1.00 51.07 N ATOM 2346 CA CYS B 121 15.805 7.773 46.388 1.00 51.25 C ATOM 2347 C CYS B 121 15.601 6.915 47.646 1.00 57.07 C ATOM 2348 O CYS B 121 16.576 6.477 48.258 1.00 57.51 O ATOM 2349 CB CYS B 121 15.874 9.258 46.735 1.00 50.14 C ATOM 2350 SG CYS B 121 16.603 10.298 45.443 1.00 52.17 S ATOM 2351 H CYS B 121 14.039 8.279 45.256 1.00 0.00 H ATOM 2352 N ARG B 122 14.321 6.678 48.011 1.00 54.66 N ATOM 2353 CA ARG B 122 13.864 5.852 49.132 1.00 56.87 C ATOM 2354 C ARG B 122 14.220 4.386 48.844 1.00 62.63 C ATOM 2355 O ARG B 122 14.677 3.678 49.741 1.00 63.99 O ATOM 2356 CB ARG B 122 12.337 5.990 49.271 1.00 57.96 C ATOM 2357 CG ARG B 122 11.795 5.931 50.693 1.00 71.18 C ATOM 2358 CD ARG B 122 11.445 7.309 51.239 1.00 80.87 C ATOM 2359 NE ARG B 122 10.507 8.045 50.384 1.00 88.10 N ATOM 2360 CZ ARG B 122 9.184 8.012 50.508 1.00103.88 C ATOM 2361 NH1 ARG B 122 8.616 7.276 51.456 1.00 94.72 N ATOM 2362 NH2 ARG B 122 8.417 8.714 49.685 1.00 89.00 N ATOM 2363 HE ARG B 122 10.906 8.635 49.626 1.00 0.00 H ATOM 2364 HH12 ARG B 122 7.580 7.255 51.547 1.00 0.00 H ATOM 2365 HH11 ARG B 122 9.207 6.721 52.107 1.00 0.00 H ATOM 2366 HH22 ARG B 122 7.382 8.685 49.786 1.00 0.00 H ATOM 2367 HH21 ARG B 122 8.850 9.294 48.938 1.00 0.00 H ATOM 2368 H ARG B 122 13.582 7.130 47.435 1.00 0.00 H ATOM 2369 N LYS B 123 14.019 3.949 47.582 1.00 59.08 N ATOM 2370 CA LYS B 123 14.301 2.596 47.092 1.00 60.84 C ATOM 2371 C LYS B 123 15.803 2.343 46.909 1.00 65.06 C ATOM 2372 O LYS B 123 16.237 1.196 47.018 1.00 66.63 O ATOM 2373 CB LYS B 123 13.572 2.342 45.760 1.00 62.91 C ATOM 2374 CG LYS B 123 12.061 2.183 45.879 1.00 77.36 C ATOM 2375 CD LYS B 123 11.413 2.103 44.504 1.00 86.45 C ATOM 2376 CE LYS B 123 9.908 2.042 44.577 1.00 97.52 C ATOM 2377 NZ LYS B 123 9.295 2.045 43.223 1.00105.33 N ATOM 2378 HZ1 LYS B 123 9.565 2.916 42.723 1.00 0.00 H ATOM 2379 HZ2 LYS B 123 9.632 1.219 42.689 1.00 0.00 H ATOM 2380 HZ3 LYS B 123 8.260 2.002 43.312 1.00 0.00 H ATOM 2381 H LYS B 123 13.631 4.631 46.899 1.00 0.00 H ATOM 2382 N PHE B 124 16.584 3.406 46.608 1.00 60.18 N ATOM 2383 CA PHE B 124 18.029 3.335 46.372 1.00 60.49 C ATOM 2384 C PHE B 124 18.824 2.899 47.607 1.00 66.98 C ATOM 2385 O PHE B 124 19.563 1.917 47.525 1.00 68.43 O ATOM 2386 CB PHE B 124 18.566 4.660 45.790 1.00 59.96 C ATOM 2387 CG PHE B 124 19.991 4.595 45.286 1.00 61.92 C ATOM 2388 CD1 PHE B 124 20.277 4.094 44.021 1.00 65.23 C ATOM 2389 CD2 PHE B 124 21.046 5.044 46.072 1.00 64.47 C ATOM 2390 CE1 PHE B 124 21.595 4.029 43.558 1.00 66.79 C ATOM 2391 CE2 PHE B 124 22.363 4.983 45.607 1.00 67.97 C ATOM 2392 CZ PHE B 124 22.628 4.474 44.354 1.00 66.31 C ATOM 2393 H PHE B 124 16.128 4.338 46.539 1.00 0.00 H ATOM 2394 N ILE B 125 18.671 3.612 48.742 1.00 63.92 N ATOM 2395 CA ILE B 125 19.384 3.291 49.987 1.00 65.93 C ATOM 2396 C ILE B 125 18.806 2.041 50.678 1.00 72.55 C ATOM 2397 O ILE B 125 19.489 1.444 51.514 1.00 74.23 O ATOM 2398 CB ILE B 125 19.531 4.494 50.957 1.00 68.29 C ATOM 2399 CG1 ILE B 125 18.210 5.286 51.125 1.00 67.48 C ATOM 2400 CG2 ILE B 125 20.696 5.390 50.514 1.00 67.95 C ATOM 2401 CD1 ILE B 125 18.182 6.265 52.307 1.00 75.68 C ATOM 2402 H ILE B 125 18.021 4.424 48.736 1.00 0.00 H ATOM 2403 N LYS B 126 17.578 1.626 50.301 1.00 69.36 N ATOM 2404 CA LYS B 126 16.927 0.419 50.816 1.00 71.96 C ATOM 2405 C LYS B 126 17.581 -0.822 50.180 1.00 77.82 C ATOM 2406 O LYS B 126 17.727 -1.849 50.846 1.00 80.27 O ATOM 2407 CB LYS B 126 15.415 0.454 50.521 1.00 74.16 C ATOM 2408 CG LYS B 126 14.608 -0.613 51.255 1.00 91.27 C ATOM 2409 CD LYS B 126 13.114 -0.492 50.979 1.00101.12 C ATOM 2410 CE LYS B 126 12.325 -1.666 51.515 1.00115.44 C ATOM 2411 NZ LYS B 126 12.273 -1.684 53.002 1.00126.32 N ATOM 2412 HZ1 LYS B 126 13.240 -1.746 53.381 1.00 0.00 H ATOM 2413 HZ2 LYS B 126 11.822 -0.811 53.342 1.00 0.00 H ATOM 2414 HZ3 LYS B 126 11.721 -2.507 53.318 1.00 0.00 H ATOM 2415 H LYS B 126 17.063 2.198 49.602 1.00 0.00 H ATOM 2416 N ALA B 127 17.983 -0.708 48.896 1.00 73.11 N ATOM 2417 CA ALA B 127 18.625 -1.769 48.116 1.00 74.70 C ATOM 2418 C ALA B 127 20.151 -1.804 48.284 1.00 79.36 C ATOM 2419 O ALA B 127 20.743 -2.881 48.187 1.00 81.60 O ATOM 2420 CB ALA B 127 18.266 -1.622 46.645 1.00 73.88 C ATOM 2421 H ALA B 127 17.824 0.205 48.424 1.00 0.00 H ATOM 2422 N SER B 128 20.783 -0.634 48.522 1.00 73.89 N ATOM 2423 CA SER B 128 22.233 -0.512 48.695 1.00105.01 C ATOM 2424 C SER B 128 22.649 -0.656 50.159 1.00134.09 C ATOM 2425 O SER B 128 22.085 -0.003 51.035 1.00 94.58 O ATOM 2426 CB SER B 128 22.735 0.813 48.126 1.00105.91 C ATOM 2427 OG SER B 128 22.476 0.911 46.735 1.00113.10 O ATOM 2428 HG SER B 128 21.501 0.850 46.577 1.00 0.00 H ATOM 2429 H SER B 128 20.207 0.230 48.586 1.00 0.00 H TER 2430 SER B 128 HETATM 2431 O HOH 1 11.582 37.700 16.191 1.00 55.03 O HETATM 2432 O HOH 2 -4.195 31.941 7.360 1.00 56.79 O HETATM 2433 O HOH 3 -5.448 16.622 23.548 1.00 66.98 O HETATM 2434 O HOH 4 -9.532 20.852 27.707 1.00 61.98 O HETATM 2435 O HOH 5 2.045 30.913 1.169 1.00 85.81 O HETATM 2436 O HOH 6 7.752 28.266 24.123 1.00 54.50 O HETATM 2437 O HOH 7 8.495 33.809 22.766 1.00 65.99 O HETATM 2438 O HOH 8 8.243 7.914 27.763 1.00 44.89 O HETATM 2439 O HOH 9 5.191 35.927 21.735 1.00 62.54 O HETATM 2440 O HOH 10 11.318 8.070 28.897 1.00 49.62 O HETATM 2441 O HOH 11 0.885 32.686 30.281 1.00 43.22 O HETATM 2442 O HOH 12 -3.955 20.090 3.453 1.00 64.27 O HETATM 2443 O HOH 13 9.483 14.179 17.242 1.00 71.46 O HETATM 2444 O HOH 14 -11.623 36.427 12.199 1.00 69.94 O HETATM 2445 O HOH 15 4.777 37.700 36.600 1.00 55.03 O HETATM 2446 O HOH 16 20.554 31.941 45.431 1.00 56.79 O HETATM 2447 O HOH 17 21.807 16.622 29.243 1.00 66.98 O HETATM 2448 O HOH 18 25.891 20.852 25.084 1.00 61.98 O HETATM 2449 O HOH 19 14.314 30.913 51.622 1.00 85.81 O HETATM 2450 O HOH 20 8.607 28.266 28.668 1.00 54.50 O HETATM 2451 O HOH 21 7.864 33.809 30.025 1.00 65.99 O HETATM 2452 O HOH 22 8.116 7.914 25.028 1.00 44.89 O HETATM 2453 O HOH 23 11.168 35.927 31.056 1.00 62.54 O HETATM 2454 O HOH 24 5.041 8.070 23.894 1.00 49.62 O HETATM 2455 O HOH 25 15.474 32.686 22.510 1.00 43.22 O HETATM 2456 O HOH 26 20.314 20.090 49.338 1.00 64.27 O HETATM 2457 O HOH 27 6.876 14.179 35.549 1.00 71.46 O HETATM 2458 O HOH 28 27.982 36.427 40.592 1.00 69.94 O HETATM 2459 C4 U A 52 7.607 13.418 13.702 1.00 0.21 C HETATM 2460 C5 U A 52 8.655 14.478 13.948 1.00 0.16 C HETATM 2461 O6 U A 52 9.221 14.795 12.657 1.00 -0.29 O HETATM 2462 C11 U A 52 10.159 15.785 12.596 1.00 0.17 C HETATM 2463 C10 U A 52 10.687 15.980 11.225 1.00 0.25 C HETATM 2464 O7 U A 52 10.285 15.325 10.268 1.00 -0.39 O HETATM 2465 N9 U A 52 11.641 16.975 11.063 1.00 -0.22 N HETATM 2466 C8 U A 52 12.169 17.195 9.715 1.00 0.05 C HETATM 2467 H3 U A 52 11.682 16.503 9.013 1.00 0.06 H HETATM 2468 H4 U A 52 13.254 17.016 9.713 1.00 0.06 H HETATM 2469 H5 U A 52 11.967 18.232 9.407 1.00 0.06 H HETATM 2470 C15 U A 52 12.126 17.760 12.142 1.00 0.07 C HETATM 2471 C14 U A 52 13.108 18.731 11.946 1.00 -0.05 C HETATM 2472 C13 U A 52 13.538 19.508 13.009 1.00 -0.05 C HETATM 2473 C18 U A 52 13.032 19.295 14.289 1.00 0.05 C HETATM 2474 C17 U A 52 12.076 18.306 14.500 1.00 -0.05 C HETATM 2475 C16 U A 52 11.606 17.535 13.431 1.00 -0.02 C HETATM 2476 C12 U A 52 10.608 16.517 13.619 1.00 -0.03 C HETATM 2477 H15 U A 52 10.210 16.339 14.617 1.00 0.05 H HETATM 2478 H7 U A 52 11.693 18.132 15.499 1.00 0.05 H HETATM 2479 N19 U A 52 13.529 20.028 15.385 1.00 -0.26 N HETATM 2480 C22 U A 52 14.776 20.010 15.941 1.00 0.14 C HETATM 2481 N23 U A 52 15.786 19.427 15.272 1.00 -0.24 N HETATM 2482 C24 U A 52 17.000 19.422 15.868 1.00 0.18 C HETATM 2483 N20 U A 52 18.028 18.854 15.170 1.00 -0.28 N HETATM 2484 C28 U A 52 17.836 18.305 13.824 1.00 0.04 C HETATM 2485 C29 U A 52 18.546 16.976 13.547 1.00 -0.02 C HETATM 2486 C30 U A 52 20.017 17.084 13.963 1.00 -0.04 C HETATM 2487 C31 U A 52 20.138 17.450 15.445 1.00 -0.02 C HETATM 2488 C32 U A 52 19.387 18.758 15.710 1.00 0.04 C HETATM 2489 H22 U A 52 19.323 18.892 16.800 1.00 0.05 H HETATM 2490 H23 U A 52 19.978 19.577 15.274 1.00 0.05 H HETATM 2491 C34 U A 52 21.597 17.558 15.873 1.00 -0.06 C HETATM 2492 H27 U A 52 22.110 16.606 15.671 1.00 0.02 H HETATM 2493 H28 U A 52 21.648 17.781 16.949 1.00 0.02 H HETATM 2494 H29 U A 52 22.086 18.365 15.308 1.00 0.02 H HETATM 2495 H21 U A 52 19.667 16.652 16.039 1.00 0.03 H HETATM 2496 H19 U A 52 20.506 17.862 13.358 1.00 0.03 H HETATM 2497 H20 U A 52 20.513 16.118 13.789 1.00 0.03 H HETATM 2498 C33 U A 52 18.414 16.587 12.078 1.00 -0.06 C HETATM 2499 H24 U A 52 17.349 16.518 11.811 1.00 0.02 H HETATM 2500 H25 U A 52 18.898 15.613 11.912 1.00 0.02 H HETATM 2501 H26 U A 52 18.900 17.349 11.452 1.00 0.02 H HETATM 2502 H18 U A 52 18.070 16.192 14.154 1.00 0.03 H HETATM 2503 H9 U A 52 18.207 19.045 13.100 1.00 0.05 H HETATM 2504 H10 U A 52 16.758 18.151 13.671 1.00 0.05 H HETATM 2505 N25 U A 52 17.286 19.913 17.092 1.00 -0.27 N HETATM 2506 C26 U A 52 16.255 20.463 17.749 1.00 0.01 C HETATM 2507 C27 U A 52 14.979 20.526 17.221 1.00 0.10 C HETATM 2508 CL1 U A 52 13.698 21.257 18.135 1.00 -0.08 CL HETATM 2509 H8 U A 52 16.429 20.876 18.736 1.00 0.09 H HETATM 2510 H17 U A 52 12.856 20.668 15.830 1.00 0.21 H HETATM 2511 H6 U A 52 14.273 20.287 12.844 1.00 0.05 H HETATM 2512 H16 U A 52 13.535 18.878 10.961 1.00 0.05 H HETATM 2513 H1 U A 52 9.435 14.094 14.622 1.00 0.09 H HETATM 2514 H2 U A 52 8.195 15.373 14.392 1.00 0.09 H HETATM 2515 N2 U A 52 7.369 12.577 14.702 1.00 -0.29 N HETATM 2516 C1 U A 52 6.405 11.496 14.610 1.00 0.02 C HETATM 2517 H11 U A 52 6.386 10.940 15.559 1.00 0.05 H HETATM 2518 H12 U A 52 6.692 10.817 13.793 1.00 0.05 H HETATM 2519 H13 U A 52 5.407 11.911 14.408 1.00 0.05 H HETATM 2520 H14 U A 52 7.876 12.694 15.556 1.00 0.18 H HETATM 2521 O3 U A 52 7.015 13.366 12.626 1.00 -0.39 O CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1216 1217 1223 1224 1225 CONECT 1223 1216 CONECT 1224 1216 CONECT 1225 1216 CONECT 2459 2460 2515 2521 CONECT 2460 2459 2461 2513 2514 CONECT 2461 2460 2462 CONECT 2462 2461 2463 2476 CONECT 2463 2462 2464 2465 CONECT 2464 2463 CONECT 2465 2463 2466 2470 CONECT 2466 2465 2467 2468 2469 CONECT 2467 2466 CONECT 2468 2466 CONECT 2469 2466 CONECT 2470 2465 2471 2475 CONECT 2471 2470 2472 2512 CONECT 2472 2471 2473 2511 CONECT 2473 2472 2474 2479 CONECT 2474 2473 2475 2478 CONECT 2475 2470 2474 2476 CONECT 2476 2462 2475 2477 CONECT 2477 2476 CONECT 2478 2474 CONECT 2479 2473 2480 2510 CONECT 2480 2479 2481 2507 CONECT 2481 2480 2482 CONECT 2482 2481 2483 2505 CONECT 2483 2482 2484 2488 CONECT 2484 2483 2485 2503 2504 CONECT 2485 2484 2486 2498 2502 CONECT 2486 2485 2487 2496 2497 CONECT 2487 2486 2488 2491 2495 CONECT 2488 2483 2487 2489 2490 CONECT 2489 2488 CONECT 2490 2488 CONECT 2491 2487 2492 2493 2494 CONECT 2492 2491 CONECT 2493 2491 CONECT 2494 2491 CONECT 2495 2487 CONECT 2496 2486 CONECT 2497 2486 CONECT 2498 2485 2499 2500 2501 CONECT 2499 2498 CONECT 2500 2498 CONECT 2501 2498 CONECT 2502 2485 CONECT 2503 2484 CONECT 2504 2484 CONECT 2505 2482 2506 CONECT 2506 2505 2507 2509 CONECT 2507 2480 2506 2508 CONECT 2508 2507 CONECT 2509 2506 CONECT 2510 2479 CONECT 2511 2472 CONECT 2512 2471 CONECT 2513 2460 CONECT 2514 2460 CONECT 2515 2459 2516 2520 CONECT 2516 2515 2517 2518 2519 CONECT 2517 2516 CONECT 2518 2516 CONECT 2519 2516 CONECT 2520 2515 CONECT 2521 2459 MASTER 0 0 0 0 0 0 0 0 2519 2 71 20 END
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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
5mw2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
B-cell lymphoma 6 protein
Ligand Name
U52
EC.Number
E.C.-.-.-.-
Resolution
2.35(Å)
Affinity (Kd/Ki/IC50)
IC50<3nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Cell Rep Vol. 20: pp. 2860-2875
Ligand Properties
Formula
C
2
4
H
2
9
ClN
6
O
3
Molecular Weight
484.978
Exact Mass
484.199
No. of atoms
63
No. of bonds
66
Polar Surface Area
101.38
LOGP Value
4.00 (
Computed with XLOGP3
)
3.86 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
CNC(=O)COc1cc2cc(ccc2n(c1=O)C)Nc1nc(ncc1Cl)N1C[C@H](C)C[C@@H](C1)C
InChI String
InChI=1S/C24H29ClN6O3/c1-14-7-15(2)12-31(11-14)24-27-10-18(25)22(29-24)28-17-5-6-19-16(8-17)9-20(23(33)30(19)4)34-13-21(32)26-3/h5-6,8-10,14-15H,7,11-13H2,1-4H3,(H,26,32)(H,27,28,29)/t14-,15+
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):
P41182
Entrez Gene ID
NCBI Entrez Gene ID:
604
ASD
Information of known allosteric effects of PDB entries
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