Browse entries in the PDBbind-CN Database
HEADER 5N20_COMPLEX COMPND 5N20_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 ASP SER GLN ILE GLN PHE THR ARG HIS ALA SER ASP VAL SEQRES 2 A 123 LEU LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU SEQRES 3 A 123 THR ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG SEQRES 4 A 123 ALA HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE SEQRES 5 A 123 TYR SER ILE PHE THR ASP GLN LEU LYS ARG ASN LEU SER SEQRES 6 A 123 VAL ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE SEQRES 7 A 123 ASN ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN SEQRES 8 A 123 LEU ARG GLU GLY ASN ILE MET ALA VAL MET ALA THR ALA SEQRES 9 A 123 MET TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS ARG SEQRES 10 A 123 LYS PHE ILE LYS ALA SER SEQRES 1 B 123 ASP SER GLN ILE GLN PHE THR ARG HIS ALA SER ASP VAL SEQRES 2 B 123 LEU LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU SEQRES 3 B 123 THR ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG SEQRES 4 B 123 ALA HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE SEQRES 5 B 123 TYR SER ILE PHE THR ASP GLN LEU LYS ARG ASN LEU SER SEQRES 6 B 123 VAL ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE SEQRES 7 B 123 ASN ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN SEQRES 8 B 123 LEU ARG GLU GLY ASN ILE MET ALA VAL MET ALA THR ALA SEQRES 9 B 123 MET TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS ARG SEQRES 10 B 123 LYS PHE ILE LYS ALA SER HET UNN A 385 62 ATOM 1 N ASP A 6 22.063 -15.532 29.253 1.00 53.19 N ATOM 2 CA ASP A 6 23.417 -15.629 29.799 1.00 54.05 C ATOM 3 C ASP A 6 23.453 -16.536 31.049 1.00 57.13 C ATOM 4 O ASP A 6 22.876 -17.627 31.012 1.00 57.84 O ATOM 5 CB ASP A 6 24.003 -14.219 30.068 1.00 54.90 C ATOM 6 CG ASP A 6 23.096 -13.258 30.820 1.00 64.19 C ATOM 7 OD1 ASP A 6 22.197 -13.732 31.549 1.00 64.20 O ATOM 8 OD2 ASP A 6 23.304 -12.032 30.703 1.00 70.35 O ATOM 9 HN3 ASP A 6 21.428 -15.131 29.973 1.00 0.00 H ATOM 10 HN2 ASP A 6 21.730 -16.480 28.985 1.00 0.00 H ATOM 11 HN1 ASP A 6 22.072 -14.916 28.415 1.00 0.00 H ATOM 12 N SER A 7 24.134 -16.093 32.135 1.00 51.71 N ATOM 13 CA SER A 7 24.286 -16.818 33.401 1.00 51.09 C ATOM 14 C SER A 7 23.296 -16.369 34.476 1.00 49.19 C ATOM 15 O SER A 7 23.097 -17.067 35.467 1.00 46.40 O ATOM 16 CB SER A 7 25.713 -16.688 33.923 1.00 57.07 C ATOM 17 OG SER A 7 25.819 -17.186 35.247 1.00 67.95 O ATOM 18 HG SER A 7 25.216 -16.673 35.841 1.00 0.00 H ATOM 19 H SER A 7 24.587 -15.160 32.064 1.00 0.00 H ATOM 20 N GLN A 8 22.691 -15.204 34.279 1.00 42.37 N ATOM 21 CA GLN A 8 21.748 -14.599 35.209 1.00 39.32 C ATOM 22 C GLN A 8 20.417 -15.362 35.296 1.00 38.60 C ATOM 23 O GLN A 8 20.090 -16.152 34.405 1.00 37.49 O ATOM 24 CB GLN A 8 21.479 -13.147 34.791 1.00 38.63 C ATOM 25 CG GLN A 8 22.723 -12.253 34.708 1.00 41.92 C ATOM 26 CD GLN A 8 22.406 -10.793 34.422 1.00 44.28 C ATOM 27 OE1 GLN A 8 21.253 -10.360 34.370 1.00 35.87 O ATOM 28 NE2 GLN A 8 23.435 -9.983 34.280 1.00 42.26 N ATOM 29 HE22 GLN A 8 24.403 -10.360 34.326 1.00 0.00 H ATOM 30 HE21 GLN A 8 23.279 -8.967 34.122 1.00 0.00 H ATOM 31 H GLN A 8 22.905 -14.689 33.401 1.00 0.00 H ATOM 32 N ILE A 9 19.655 -15.144 36.397 1.00 31.76 N ATOM 33 CA ILE A 9 18.341 -15.745 36.541 1.00 30.87 C ATOM 34 C ILE A 9 17.430 -15.162 35.474 1.00 32.66 C ATOM 35 O ILE A 9 17.357 -13.928 35.284 1.00 28.74 O ATOM 36 CB ILE A 9 17.763 -15.550 37.973 1.00 33.30 C ATOM 37 CG1 ILE A 9 18.701 -16.184 39.011 1.00 34.20 C ATOM 38 CG2 ILE A 9 16.325 -16.117 38.097 1.00 33.27 C ATOM 39 CD1 ILE A 9 18.659 -15.618 40.366 1.00 38.09 C ATOM 40 H ILE A 9 20.020 -14.533 37.155 1.00 0.00 H ATOM 41 N GLN A 10 16.770 -16.034 34.735 1.00 30.10 N ATOM 42 CA GLN A 10 15.847 -15.656 33.683 1.00 31.31 C ATOM 43 C GLN A 10 14.424 -15.689 34.202 1.00 32.87 C ATOM 44 O GLN A 10 14.015 -16.664 34.845 1.00 33.63 O ATOM 45 CB GLN A 10 15.991 -16.603 32.490 1.00 34.90 C ATOM 46 CG GLN A 10 17.031 -16.160 31.490 1.00 49.31 C ATOM 47 CD GLN A 10 17.194 -17.187 30.399 1.00 61.48 C ATOM 48 OE1 GLN A 10 18.277 -17.740 30.195 1.00 58.69 O ATOM 49 NE2 GLN A 10 16.112 -17.478 29.684 1.00 53.03 N ATOM 50 HE22 GLN A 10 15.213 -16.994 29.881 1.00 0.00 H ATOM 51 HE21 GLN A 10 16.164 -18.190 28.928 1.00 0.00 H ATOM 52 H GLN A 10 16.920 -17.047 34.917 1.00 0.00 H ATOM 53 N PHE A 11 13.711 -14.569 34.031 1.00 26.41 N ATOM 54 CA PHE A 11 12.307 -14.467 34.368 1.00 24.47 C ATOM 55 C PHE A 11 11.561 -14.633 33.039 1.00 30.20 C ATOM 56 O PHE A 11 11.554 -13.725 32.192 1.00 28.83 O ATOM 57 CB PHE A 11 12.017 -13.151 35.071 1.00 24.23 C ATOM 58 CG PHE A 11 12.457 -13.054 36.504 1.00 24.48 C ATOM 59 CD1 PHE A 11 13.806 -13.127 36.842 1.00 25.69 C ATOM 60 CD2 PHE A 11 11.543 -12.753 37.499 1.00 27.07 C ATOM 61 CE1 PHE A 11 14.219 -12.984 38.180 1.00 26.16 C ATOM 62 CE2 PHE A 11 11.951 -12.618 38.832 1.00 28.72 C ATOM 63 CZ PHE A 11 13.288 -12.707 39.154 1.00 26.36 C ATOM 64 H PHE A 11 14.188 -13.733 33.638 1.00 0.00 H ATOM 65 N THR A 12 11.009 -15.848 32.822 1.00 30.02 N ATOM 66 CA THR A 12 10.376 -16.181 31.544 1.00 30.29 C ATOM 67 C THR A 12 9.099 -15.412 31.207 1.00 32.36 C ATOM 68 O THR A 12 8.779 -15.303 30.022 1.00 33.66 O ATOM 69 CB THR A 12 10.120 -17.694 31.414 1.00 36.34 C ATOM 70 OG1 THR A 12 9.128 -18.099 32.353 1.00 39.97 O ATOM 71 CG2 THR A 12 11.387 -18.523 31.574 1.00 43.34 C ATOM 72 HG1 THR A 12 8.969 -19.072 32.264 1.00 0.00 H ATOM 73 H THR A 12 11.034 -16.561 33.579 1.00 0.00 H ATOM 74 N ARG A 13 8.397 -14.847 32.210 1.00 28.78 N ATOM 75 CA ARG A 13 7.167 -14.103 31.928 1.00 28.83 C ATOM 76 C ARG A 13 7.375 -12.585 31.989 1.00 29.59 C ATOM 77 O ARG A 13 6.419 -11.838 31.769 1.00 28.49 O ATOM 78 CB ARG A 13 6.052 -14.496 32.908 1.00 32.25 C ATOM 79 CG ARG A 13 5.613 -15.963 32.792 1.00 39.37 C ATOM 80 CD ARG A 13 4.601 -16.352 33.858 1.00 52.15 C ATOM 81 NE ARG A 13 5.183 -16.365 35.203 1.00 66.73 N ATOM 82 CZ ARG A 13 4.511 -16.666 36.310 1.00 87.60 C ATOM 83 NH1 ARG A 13 3.223 -16.984 36.249 1.00 77.03 N ATOM 84 NH2 ARG A 13 5.121 -16.650 37.487 1.00 78.71 N ATOM 85 HE ARG A 13 6.190 -16.122 35.298 1.00 0.00 H ATOM 86 HH12 ARG A 13 2.703 -17.218 37.119 1.00 0.00 H ATOM 87 HH11 ARG A 13 2.734 -16.999 35.331 1.00 0.00 H ATOM 88 HH22 ARG A 13 4.591 -16.886 38.350 1.00 0.00 H ATOM 89 HH21 ARG A 13 6.129 -16.401 37.547 1.00 0.00 H ATOM 90 H ARG A 13 8.731 -14.940 33.190 1.00 0.00 H ATOM 91 N HIS A 14 8.586 -12.124 32.347 1.00 24.77 N ATOM 92 CA HIS A 14 8.834 -10.683 32.512 1.00 21.67 C ATOM 93 C HIS A 14 8.543 -9.871 31.265 1.00 24.48 C ATOM 94 O HIS A 14 7.843 -8.870 31.373 1.00 22.12 O ATOM 95 CB HIS A 14 10.259 -10.442 33.020 1.00 22.37 C ATOM 96 CG HIS A 14 10.581 -8.996 33.207 1.00 21.63 C ATOM 97 ND1 HIS A 14 10.151 -8.299 34.326 1.00 21.76 N ATOM 98 CD2 HIS A 14 11.300 -8.166 32.418 1.00 22.26 C ATOM 99 CE1 HIS A 14 10.586 -7.052 34.163 1.00 20.87 C ATOM 100 NE2 HIS A 14 11.278 -6.919 33.033 1.00 20.38 N ATOM 101 H HIS A 14 9.361 -12.798 32.510 1.00 0.00 H ATOM 102 N ALA A 15 9.045 -10.285 30.108 1.00 22.07 N ATOM 103 CA ALA A 15 8.810 -9.451 28.914 1.00 22.22 C ATOM 104 C ALA A 15 7.319 -9.301 28.574 1.00 24.37 C ATOM 105 O ALA A 15 6.879 -8.218 28.230 1.00 22.76 O ATOM 106 CB ALA A 15 9.580 -10.000 27.727 1.00 24.22 C ATOM 107 H ALA A 15 9.587 -11.170 30.045 1.00 0.00 H ATOM 108 N SER A 16 6.545 -10.394 28.679 1.00 23.58 N ATOM 109 CA SER A 16 5.108 -10.371 28.407 1.00 22.85 C ATOM 110 C SER A 16 4.388 -9.529 29.460 1.00 24.87 C ATOM 111 O SER A 16 3.460 -8.808 29.122 1.00 22.84 O ATOM 112 CB SER A 16 4.549 -11.786 28.402 1.00 26.61 C ATOM 113 OG SER A 16 4.707 -12.336 29.696 1.00 32.83 O ATOM 114 HG SER A 16 5.669 -12.353 29.931 1.00 0.00 H ATOM 115 H SER A 16 6.985 -11.292 28.965 1.00 0.00 H ATOM 116 N ASP A 17 4.844 -9.573 30.722 1.00 22.60 N ATOM 117 CA ASP A 17 4.236 -8.779 31.785 1.00 21.58 C ATOM 118 C ASP A 17 4.486 -7.281 31.549 1.00 23.79 C ATOM 119 O ASP A 17 3.556 -6.483 31.693 1.00 22.16 O ATOM 120 CB ASP A 17 4.756 -9.204 33.163 1.00 23.49 C ATOM 121 CG ASP A 17 4.202 -10.525 33.651 1.00 31.74 C ATOM 122 OD1 ASP A 17 3.188 -10.991 33.088 1.00 30.66 O ATOM 123 OD2 ASP A 17 4.749 -11.064 34.634 1.00 33.70 O ATOM 124 H ASP A 17 5.651 -10.189 30.948 1.00 0.00 H ATOM 125 N VAL A 18 5.725 -6.915 31.122 1.00 19.67 N ATOM 126 CA VAL A 18 6.068 -5.533 30.773 1.00 17.42 C ATOM 127 C VAL A 18 5.140 -5.099 29.619 1.00 19.32 C ATOM 128 O VAL A 18 4.569 -3.999 29.644 1.00 17.81 O ATOM 129 CB VAL A 18 7.560 -5.390 30.327 1.00 20.02 C ATOM 130 CG1 VAL A 18 7.817 -4.032 29.654 1.00 18.55 C ATOM 131 CG2 VAL A 18 8.498 -5.562 31.518 1.00 20.47 C ATOM 132 H VAL A 18 6.460 -7.646 31.040 1.00 0.00 H ATOM 133 N LEU A 19 5.042 -5.924 28.564 1.00 18.53 N ATOM 134 CA LEU A 19 4.232 -5.510 27.431 1.00 19.22 C ATOM 135 C LEU A 19 2.761 -5.301 27.819 1.00 21.15 C ATOM 136 O LEU A 19 2.159 -4.328 27.388 1.00 19.66 O ATOM 137 CB LEU A 19 4.368 -6.534 26.298 1.00 20.97 C ATOM 138 CG LEU A 19 3.900 -6.054 24.939 1.00 23.76 C ATOM 139 CD1 LEU A 19 4.795 -4.949 24.370 1.00 24.36 C ATOM 140 CD2 LEU A 19 3.863 -7.225 23.950 1.00 22.99 C ATOM 141 H LEU A 19 5.535 -6.840 28.558 1.00 0.00 H ATOM 142 N LEU A 20 2.230 -6.160 28.676 1.00 19.11 N ATOM 143 CA LEU A 20 0.856 -6.023 29.135 1.00 20.56 C ATOM 144 C LEU A 20 0.715 -4.701 29.862 1.00 21.11 C ATOM 145 O LEU A 20 -0.269 -4.003 29.664 1.00 19.33 O ATOM 146 CB LEU A 20 0.464 -7.186 30.062 1.00 22.35 C ATOM 147 CG LEU A 20 -0.839 -7.056 30.865 1.00 29.04 C ATOM 148 CD1 LEU A 20 -2.065 -6.921 29.943 1.00 30.24 C ATOM 149 CD2 LEU A 20 -1.019 -8.258 31.818 1.00 30.71 C ATOM 150 H LEU A 20 2.808 -6.950 29.029 1.00 0.00 H ATOM 151 N ASN A 21 1.687 -4.365 30.717 1.00 18.55 N ATOM 152 CA ASN A 21 1.617 -3.101 31.441 1.00 16.30 C ATOM 153 C ASN A 21 1.744 -1.888 30.518 1.00 17.70 C ATOM 154 O ASN A 21 1.127 -0.863 30.791 1.00 17.10 O ATOM 155 CB ASN A 21 2.623 -3.058 32.573 1.00 16.59 C ATOM 156 CG ASN A 21 2.206 -3.940 33.738 1.00 20.85 C ATOM 157 OD1 ASN A 21 1.020 -4.265 33.912 1.00 22.18 O ATOM 158 ND2 ASN A 21 3.151 -4.257 34.629 1.00 18.49 N ATOM 159 HD22 ASN A 21 4.138 -3.975 34.463 1.00 0.00 H ATOM 160 HD21 ASN A 21 2.899 -4.786 35.488 1.00 0.00 H ATOM 161 H ASN A 21 2.493 -5.005 30.866 1.00 0.00 H ATOM 162 N LEU A 22 2.546 -1.995 29.444 1.00 16.99 N ATOM 163 CA LEU A 22 2.643 -0.909 28.465 1.00 15.96 C ATOM 164 C LEU A 22 1.301 -0.753 27.742 1.00 16.30 C ATOM 165 O LEU A 22 0.905 0.367 27.467 1.00 16.56 O ATOM 166 CB LEU A 22 3.772 -1.190 27.469 1.00 16.07 C ATOM 167 CG LEU A 22 5.212 -1.155 28.044 1.00 17.91 C ATOM 168 CD1 LEU A 22 6.225 -1.559 26.969 1.00 19.41 C ATOM 169 CD2 LEU A 22 5.572 0.192 28.644 1.00 18.28 C ATOM 170 H LEU A 22 3.105 -2.861 29.306 1.00 0.00 H ATOM 171 N ASN A 23 0.601 -1.837 27.437 1.00 18.23 N ATOM 172 CA ASN A 23 -0.716 -1.745 26.812 1.00 17.47 C ATOM 173 C ASN A 23 -1.720 -1.124 27.800 1.00 20.14 C ATOM 174 O ASN A 23 -2.531 -0.299 27.408 1.00 19.82 O ATOM 175 CB ASN A 23 -1.202 -3.107 26.335 1.00 18.32 C ATOM 176 CG ASN A 23 -2.251 -2.958 25.247 1.00 22.06 C ATOM 177 OD1 ASN A 23 -2.313 -1.948 24.541 1.00 20.85 O ATOM 178 ND2 ASN A 23 -3.056 -3.987 25.033 1.00 25.26 N ATOM 179 HD22 ASN A 23 -2.992 -4.832 25.636 1.00 0.00 H ATOM 180 HD21 ASN A 23 -3.752 -3.951 24.261 1.00 0.00 H ATOM 181 H ASN A 23 0.999 -2.775 27.648 1.00 0.00 H ATOM 182 N ARG A 24 -1.605 -1.448 29.092 1.00 17.69 N ATOM 183 CA ARG A 24 -2.454 -0.831 30.105 1.00 18.47 C ATOM 184 C ARG A 24 -2.204 0.688 30.135 1.00 20.17 C ATOM 185 O ARG A 24 -3.165 1.446 30.202 1.00 19.22 O ATOM 186 CB ARG A 24 -2.187 -1.453 31.466 1.00 19.25 C ATOM 187 CG ARG A 24 -2.790 -2.860 31.622 1.00 22.00 C ATOM 188 CD ARG A 24 -2.239 -3.579 32.841 1.00 30.18 C ATOM 189 NE ARG A 24 -2.883 -3.160 34.079 1.00 33.34 N ATOM 190 CZ ARG A 24 -2.436 -3.462 35.298 1.00 50.72 C ATOM 191 NH1 ARG A 24 -1.326 -4.179 35.450 1.00 39.15 N ATOM 192 NH2 ARG A 24 -3.082 -3.032 36.372 1.00 35.76 N ATOM 193 HE ARG A 24 -3.748 -2.588 34.007 1.00 0.00 H ATOM 194 HH12 ARG A 24 -0.983 -4.411 36.404 1.00 0.00 H ATOM 195 HH11 ARG A 24 -0.801 -4.508 34.615 1.00 0.00 H ATOM 196 HH22 ARG A 24 -2.729 -3.270 37.321 1.00 0.00 H ATOM 197 HH21 ARG A 24 -3.942 -2.456 36.266 1.00 0.00 H ATOM 198 H ARG A 24 -0.897 -2.153 29.380 1.00 0.00 H ATOM 199 N LEU A 25 -0.940 1.150 30.026 1.00 16.33 N ATOM 200 CA LEU A 25 -0.676 2.590 30.009 1.00 16.48 C ATOM 201 C LEU A 25 -1.271 3.192 28.747 1.00 18.22 C ATOM 202 O LEU A 25 -1.814 4.305 28.813 1.00 18.36 O ATOM 203 CB LEU A 25 0.835 2.865 30.028 1.00 16.73 C ATOM 204 CG LEU A 25 1.582 2.434 31.276 1.00 19.39 C ATOM 205 CD1 LEU A 25 3.072 2.663 31.121 1.00 20.31 C ATOM 206 CD2 LEU A 25 1.000 3.075 32.555 1.00 20.68 C ATOM 207 H LEU A 25 -0.149 0.479 29.954 1.00 0.00 H ATOM 208 N ARG A 26 -1.161 2.504 27.589 1.00 16.72 N ATOM 209 CA ARG A 26 -1.736 3.069 26.377 1.00 16.11 C ATOM 210 C ARG A 26 -3.263 3.249 26.551 1.00 18.48 C ATOM 211 O ARG A 26 -3.782 4.317 26.186 1.00 19.44 O ATOM 212 CB ARG A 26 -1.449 2.152 25.172 1.00 19.00 C ATOM 213 CG ARG A 26 -2.053 2.715 23.870 1.00 20.75 C ATOM 214 CD ARG A 26 -1.679 1.944 22.618 1.00 23.62 C ATOM 215 NE ARG A 26 -2.094 0.542 22.642 1.00 23.75 N ATOM 216 CZ ARG A 26 -2.972 -0.011 21.801 1.00 25.77 C ATOM 217 NH1 ARG A 26 -3.594 0.734 20.890 1.00 30.42 N ATOM 218 NH2 ARG A 26 -3.253 -1.310 21.880 1.00 25.59 N ATOM 219 HE ARG A 26 -1.674 -0.071 23.369 1.00 0.00 H ATOM 220 HH12 ARG A 26 -4.276 0.297 20.238 1.00 0.00 H ATOM 221 HH11 ARG A 26 -3.398 1.753 20.830 1.00 0.00 H ATOM 222 HH22 ARG A 26 -3.938 -1.735 21.222 1.00 0.00 H ATOM 223 HH21 ARG A 26 -2.788 -1.900 22.599 1.00 0.00 H ATOM 224 H ARG A 26 -0.673 1.586 27.564 1.00 0.00 H ATOM 225 N SER A 27 -3.951 2.247 27.153 1.00 16.39 N ATOM 226 CA SER A 27 -5.401 2.282 27.342 1.00 16.77 C ATOM 227 C SER A 27 -5.830 3.433 28.229 1.00 20.73 C ATOM 228 O SER A 27 -6.997 3.813 28.209 1.00 21.25 O ATOM 229 CB SER A 27 -5.905 0.954 27.900 1.00 20.92 C ATOM 230 OG SER A 27 -5.548 0.752 29.257 1.00 24.14 O ATOM 231 HG SER A 27 -4.562 0.760 29.342 1.00 0.00 H ATOM 232 H SER A 27 -3.425 1.418 27.495 1.00 0.00 H ATOM 233 N ARG A 28 -4.902 3.944 29.025 1.00 18.46 N ATOM 234 CA ARG A 28 -5.180 5.040 29.943 1.00 20.10 C ATOM 235 C ARG A 28 -4.548 6.342 29.488 1.00 21.97 C ATOM 236 O ARG A 28 -4.649 7.353 30.190 1.00 21.03 O ATOM 237 CB ARG A 28 -4.705 4.650 31.340 1.00 20.69 C ATOM 238 CG ARG A 28 -5.460 3.442 31.923 1.00 21.90 C ATOM 239 CD ARG A 28 -4.990 3.105 33.319 1.00 22.55 C ATOM 240 NE ARG A 28 -5.218 4.199 34.262 1.00 21.99 N ATOM 241 CZ ARG A 28 -4.682 4.262 35.475 1.00 26.20 C ATOM 242 NH1 ARG A 28 -3.863 3.311 35.895 1.00 20.68 N ATOM 243 NH2 ARG A 28 -4.948 5.290 36.272 1.00 24.68 N ATOM 244 HE ARG A 28 -5.840 4.977 33.963 1.00 0.00 H ATOM 245 HH12 ARG A 28 -3.446 3.366 36.846 1.00 0.00 H ATOM 246 HH11 ARG A 28 -3.636 2.508 35.274 1.00 0.00 H ATOM 247 HH22 ARG A 28 -4.526 5.335 37.221 1.00 0.00 H ATOM 248 HH21 ARG A 28 -5.579 6.050 35.947 1.00 0.00 H ATOM 249 H ARG A 28 -3.941 3.548 28.993 1.00 0.00 H ATOM 250 N ASP A 29 -3.899 6.336 28.296 1.00 19.13 N ATOM 251 CA ASP A 29 -3.248 7.540 27.771 1.00 18.86 C ATOM 252 C ASP A 29 -2.136 8.046 28.716 1.00 20.64 C ATOM 253 O ASP A 29 -1.933 9.262 28.886 1.00 21.42 O ATOM 254 CB ASP A 29 -4.298 8.634 27.476 1.00 22.00 C ATOM 255 CG ASP A 29 -3.857 9.561 26.380 1.00 31.47 C ATOM 256 OD1 ASP A 29 -3.303 9.061 25.371 1.00 28.38 O ATOM 257 OD2 ASP A 29 -4.114 10.784 26.500 1.00 38.15 O ATOM 258 H ASP A 29 -3.863 5.457 27.742 1.00 0.00 H ATOM 259 N ILE A 30 -1.474 7.106 29.391 1.00 16.64 N ATOM 260 CA ILE A 30 -0.407 7.472 30.291 1.00 15.66 C ATOM 261 C ILE A 30 0.924 7.451 29.594 1.00 16.41 C ATOM 262 O ILE A 30 1.352 6.397 29.117 1.00 16.81 O ATOM 263 CB ILE A 30 -0.392 6.597 31.554 1.00 16.74 C ATOM 264 CG1 ILE A 30 -1.714 6.757 32.344 1.00 17.45 C ATOM 265 CG2 ILE A 30 0.853 6.908 32.431 1.00 17.31 C ATOM 266 CD1 ILE A 30 -1.908 5.830 33.559 1.00 20.50 C ATOM 267 H ILE A 30 -1.728 6.105 29.268 1.00 0.00 H ATOM 268 N LEU A 31 1.520 8.642 29.459 1.00 16.93 N ATOM 269 CA LEU A 31 2.839 8.845 28.857 1.00 16.80 C ATOM 270 C LEU A 31 2.847 8.567 27.361 1.00 17.44 C ATOM 271 O LEU A 31 3.924 8.558 26.768 1.00 16.68 O ATOM 272 CB LEU A 31 3.993 8.109 29.589 1.00 18.00 C ATOM 273 CG LEU A 31 4.283 8.625 31.008 1.00 21.06 C ATOM 274 CD1 LEU A 31 5.172 7.667 31.765 1.00 22.64 C ATOM 275 CD2 LEU A 31 4.924 10.014 30.988 1.00 21.80 C ATOM 276 H LEU A 31 1.011 9.480 29.805 1.00 0.00 H ATOM 277 N THR A 32 1.654 8.454 26.736 1.00 14.89 N ATOM 278 CA THR A 32 1.600 8.444 25.276 1.00 14.08 C ATOM 279 C THR A 32 2.182 9.760 24.787 1.00 18.46 C ATOM 280 O THR A 32 1.976 10.812 25.410 1.00 18.34 O ATOM 281 CB THR A 32 0.201 8.196 24.777 1.00 18.04 C ATOM 282 OG1 THR A 32 -0.663 9.106 25.433 1.00 20.29 O ATOM 283 CG2 THR A 32 -0.262 6.770 25.042 1.00 18.37 C ATOM 284 HG1 THR A 32 -1.591 8.962 25.120 1.00 0.00 H ATOM 285 H THR A 32 0.779 8.375 27.292 1.00 0.00 H ATOM 286 N ASP A 33 2.930 9.701 23.683 1.00 15.35 N ATOM 287 CA ASP A 33 3.624 10.893 23.206 1.00 14.02 C ATOM 288 C ASP A 33 3.462 11.125 21.718 1.00 17.46 C ATOM 289 O ASP A 33 4.167 11.970 21.157 1.00 17.82 O ATOM 290 CB ASP A 33 5.122 10.826 23.549 1.00 15.52 C ATOM 291 CG ASP A 33 5.799 9.535 23.104 1.00 19.25 C ATOM 292 OD1 ASP A 33 5.133 8.708 22.449 1.00 19.33 O ATOM 293 OD2 ASP A 33 7.027 9.416 23.285 1.00 22.16 O ATOM 294 H ASP A 33 3.018 8.805 23.162 1.00 0.00 H ATOM 295 N VAL A 34 2.519 10.427 21.063 1.00 15.10 N ATOM 296 CA VAL A 34 2.313 10.659 19.637 1.00 15.11 C ATOM 297 C VAL A 34 0.908 10.290 19.292 1.00 16.85 C ATOM 298 O VAL A 34 0.360 9.330 19.887 1.00 17.66 O ATOM 299 CB VAL A 34 3.363 9.895 18.754 1.00 17.55 C ATOM 300 CG1 VAL A 34 3.167 8.369 18.759 1.00 16.56 C ATOM 301 CG2 VAL A 34 3.408 10.429 17.322 1.00 17.64 C ATOM 302 H VAL A 34 1.940 9.726 21.569 1.00 0.00 H ATOM 303 N VAL A 35 0.363 10.991 18.289 1.00 16.94 N ATOM 304 CA VAL A 35 -0.909 10.618 17.708 1.00 15.73 C ATOM 305 C VAL A 35 -0.638 10.236 16.255 1.00 18.13 C ATOM 306 O VAL A 35 0.054 10.950 15.516 1.00 17.20 O ATOM 307 CB VAL A 35 -2.077 11.604 17.937 1.00 19.07 C ATOM 308 CG1 VAL A 35 -1.825 12.968 17.300 1.00 19.56 C ATOM 309 CG2 VAL A 35 -3.412 11.010 17.489 1.00 18.90 C ATOM 310 H VAL A 35 0.866 11.823 17.919 1.00 0.00 H ATOM 311 N ILE A 36 -1.107 9.062 15.883 1.00 17.25 N ATOM 312 CA ILE A 36 -0.919 8.573 14.514 1.00 16.40 C ATOM 313 C ILE A 36 -2.253 8.815 13.812 1.00 20.16 C ATOM 314 O ILE A 36 -3.286 8.316 14.287 1.00 20.07 O ATOM 315 CB ILE A 36 -0.527 7.069 14.491 1.00 19.47 C ATOM 316 CG1 ILE A 36 0.693 6.768 15.380 1.00 19.03 C ATOM 317 CG2 ILE A 36 -0.277 6.598 13.050 1.00 20.70 C ATOM 318 CD1 ILE A 36 2.051 7.534 14.992 1.00 22.04 C ATOM 319 H ILE A 36 -1.618 8.473 16.571 1.00 0.00 H ATOM 320 N VAL A 37 -2.237 9.596 12.736 1.00 18.39 N ATOM 321 CA VAL A 37 -3.442 9.938 11.991 1.00 18.34 C ATOM 322 C VAL A 37 -3.520 9.036 10.784 1.00 21.90 C ATOM 323 O VAL A 37 -2.581 8.974 10.004 1.00 21.50 O ATOM 324 CB VAL A 37 -3.483 11.437 11.584 1.00 22.07 C ATOM 325 CG1 VAL A 37 -4.741 11.769 10.766 1.00 23.32 C ATOM 326 CG2 VAL A 37 -3.427 12.314 12.829 1.00 22.27 C ATOM 327 H VAL A 37 -1.326 9.979 12.412 1.00 0.00 H ATOM 328 N VAL A 38 -4.614 8.279 10.686 1.00 19.73 N ATOM 329 CA VAL A 38 -4.826 7.289 9.623 1.00 20.24 C ATOM 330 C VAL A 38 -6.207 7.588 9.047 1.00 24.11 C ATOM 331 O VAL A 38 -7.226 7.288 9.677 1.00 24.06 O ATOM 332 CB VAL A 38 -4.734 5.864 10.237 1.00 25.43 C ATOM 333 CG1 VAL A 38 -4.782 4.788 9.161 1.00 26.60 C ATOM 334 CG2 VAL A 38 -3.489 5.709 11.120 1.00 24.35 C ATOM 335 H VAL A 38 -5.358 8.397 11.403 1.00 0.00 H ATOM 336 N SER A 39 -6.242 8.204 7.849 1.00 24.13 N ATOM 337 CA SER A 39 -7.516 8.574 7.224 1.00 25.97 C ATOM 338 C SER A 39 -8.289 9.472 8.233 1.00 28.67 C ATOM 339 O SER A 39 -7.746 10.466 8.683 1.00 27.15 O ATOM 340 CB SER A 39 -8.319 7.337 6.807 1.00 32.86 C ATOM 341 OG SER A 39 -7.547 6.382 6.096 1.00 43.85 O ATOM 342 HG SER A 39 -6.798 6.075 6.666 1.00 0.00 H ATOM 343 H SER A 39 -5.350 8.421 7.359 1.00 0.00 H ATOM 344 N ARG A 40 -9.529 9.122 8.586 1.00 27.54 N ATOM 345 CA ARG A 40 -10.368 9.906 9.491 1.00 27.64 C ATOM 346 C ARG A 40 -10.156 9.565 10.949 1.00 31.67 C ATOM 347 O ARG A 40 -10.822 10.148 11.809 1.00 35.00 O ATOM 348 CB ARG A 40 -11.842 9.681 9.124 1.00 29.38 C ATOM 349 CG ARG A 40 -12.261 10.288 7.799 1.00 38.08 C ATOM 350 CD ARG A 40 -13.687 9.889 7.427 1.00 54.52 C ATOM 351 NE ARG A 40 -13.790 8.480 7.040 1.00 70.85 N ATOM 352 CZ ARG A 40 -14.920 7.870 6.692 1.00 89.45 C ATOM 353 NH1 ARG A 40 -16.070 8.535 6.694 1.00 81.44 N ATOM 354 NH2 ARG A 40 -14.912 6.587 6.359 1.00 74.75 N ATOM 355 HE ARG A 40 -12.917 7.916 7.037 1.00 0.00 H ATOM 356 HH12 ARG A 40 -16.950 8.053 6.421 1.00 0.00 H ATOM 357 HH11 ARG A 40 -16.090 9.538 6.969 1.00 0.00 H ATOM 358 HH22 ARG A 40 -15.798 6.115 6.088 1.00 0.00 H ATOM 359 HH21 ARG A 40 -14.020 6.053 6.369 1.00 0.00 H ATOM 360 H ARG A 40 -9.920 8.241 8.195 1.00 0.00 H ATOM 361 N GLU A 41 -9.254 8.626 11.240 1.00 23.81 N ATOM 362 CA GLU A 41 -9.030 8.184 12.624 1.00 23.37 C ATOM 363 C GLU A 41 -7.733 8.637 13.248 1.00 25.50 C ATOM 364 O GLU A 41 -6.793 8.948 12.532 1.00 24.23 O ATOM 365 CB GLU A 41 -9.099 6.660 12.713 1.00 24.46 C ATOM 366 CG GLU A 41 -10.465 6.125 12.341 1.00 28.35 C ATOM 367 CD GLU A 41 -10.765 4.769 12.936 1.00 36.52 C ATOM 368 OE1 GLU A 41 -10.363 4.531 14.097 1.00 35.97 O ATOM 369 OE2 GLU A 41 -11.421 3.953 12.251 1.00 37.01 O ATOM 370 H GLU A 41 -8.698 8.198 10.472 1.00 0.00 H ATOM 371 N GLN A 42 -7.670 8.612 14.591 1.00 20.66 N ATOM 372 CA GLN A 42 -6.486 8.963 15.348 1.00 20.43 C ATOM 373 C GLN A 42 -6.198 7.841 16.343 1.00 22.62 C ATOM 374 O GLN A 42 -7.134 7.287 16.929 1.00 22.28 O ATOM 375 CB GLN A 42 -6.751 10.272 16.117 1.00 22.73 C ATOM 376 CG GLN A 42 -6.682 11.518 15.236 1.00 36.16 C ATOM 377 CD GLN A 42 -7.044 12.772 15.999 1.00 55.14 C ATOM 378 OE1 GLN A 42 -6.544 13.028 17.096 1.00 48.31 O ATOM 379 NE2 GLN A 42 -7.926 13.586 15.434 1.00 53.90 N ATOM 380 HE22 GLN A 42 -8.334 13.348 14.507 1.00 0.00 H ATOM 381 HE21 GLN A 42 -8.209 14.462 15.918 1.00 0.00 H ATOM 382 H GLN A 42 -8.520 8.324 15.116 1.00 0.00 H ATOM 383 N PHE A 43 -4.914 7.510 16.557 1.00 18.87 N ATOM 384 CA PHE A 43 -4.473 6.501 17.523 1.00 18.87 C ATOM 385 C PHE A 43 -3.310 7.004 18.315 1.00 23.03 C ATOM 386 O PHE A 43 -2.281 7.339 17.737 1.00 22.73 O ATOM 387 CB PHE A 43 -4.036 5.203 16.824 1.00 20.85 C ATOM 388 CG PHE A 43 -5.087 4.573 15.959 1.00 22.09 C ATOM 389 CD1 PHE A 43 -5.212 4.924 14.619 1.00 23.34 C ATOM 390 CD2 PHE A 43 -5.905 3.575 16.458 1.00 23.56 C ATOM 391 CE1 PHE A 43 -6.175 4.324 13.813 1.00 24.29 C ATOM 392 CE2 PHE A 43 -6.867 2.977 15.648 1.00 26.60 C ATOM 393 CZ PHE A 43 -7.004 3.370 14.337 1.00 24.69 C ATOM 394 H PHE A 43 -4.186 8.002 16.001 1.00 0.00 H ATOM 395 N ARG A 44 -3.433 7.003 19.630 1.00 18.51 N ATOM 396 CA ARG A 44 -2.338 7.431 20.465 1.00 18.44 C ATOM 397 C ARG A 44 -1.495 6.251 20.826 1.00 20.76 C ATOM 398 O ARG A 44 -1.996 5.139 20.955 1.00 20.68 O ATOM 399 CB ARG A 44 -2.853 8.168 21.708 1.00 19.32 C ATOM 400 CG ARG A 44 -3.538 9.494 21.327 1.00 25.15 C ATOM 401 CD ARG A 44 -3.781 10.437 22.491 1.00 25.37 C ATOM 402 NE ARG A 44 -2.540 10.649 23.247 1.00 29.51 N ATOM 403 CZ ARG A 44 -1.624 11.571 22.974 1.00 44.71 C ATOM 404 NH1 ARG A 44 -1.834 12.463 22.018 1.00 36.50 N ATOM 405 NH2 ARG A 44 -0.505 11.629 23.679 1.00 33.81 N ATOM 406 HE ARG A 44 -2.364 10.027 24.062 1.00 0.00 H ATOM 407 HH12 ARG A 44 -1.112 13.182 21.810 1.00 0.00 H ATOM 408 HH11 ARG A 44 -2.721 12.445 21.475 1.00 0.00 H ATOM 409 HH22 ARG A 44 0.210 12.353 23.462 1.00 0.00 H ATOM 410 HH21 ARG A 44 -0.340 10.951 24.450 1.00 0.00 H ATOM 411 H ARG A 44 -4.325 6.692 20.066 1.00 0.00 H ATOM 412 N ALA A 45 -0.188 6.476 20.956 1.00 16.30 N ATOM 413 CA ALA A 45 0.767 5.443 21.294 1.00 15.88 C ATOM 414 C ALA A 45 2.025 6.018 21.939 1.00 15.95 C ATOM 415 O ALA A 45 2.154 7.235 22.137 1.00 14.94 O ATOM 416 CB ALA A 45 1.134 4.663 20.021 1.00 18.22 C ATOM 417 H ALA A 45 0.163 7.443 20.807 1.00 0.00 H ATOM 418 N HIS A 46 2.925 5.112 22.311 1.00 15.18 N ATOM 419 CA HIS A 46 4.250 5.412 22.815 1.00 13.91 C ATOM 420 C HIS A 46 5.216 5.221 21.681 1.00 14.87 C ATOM 421 O HIS A 46 5.331 4.125 21.121 1.00 14.69 O ATOM 422 CB HIS A 46 4.628 4.461 23.947 1.00 14.73 C ATOM 423 CG HIS A 46 3.655 4.492 25.083 1.00 16.53 C ATOM 424 ND1 HIS A 46 2.702 3.500 25.233 1.00 17.58 N ATOM 425 CD2 HIS A 46 3.538 5.365 26.107 1.00 16.82 C ATOM 426 CE1 HIS A 46 2.040 3.792 26.340 1.00 16.56 C ATOM 427 NE2 HIS A 46 2.489 4.916 26.892 1.00 16.61 N ATOM 428 H HIS A 46 2.657 4.110 22.234 1.00 0.00 H ATOM 429 N LYS A 47 5.945 6.288 21.335 1.00 14.96 N ATOM 430 CA LYS A 47 6.964 6.222 20.298 1.00 14.63 C ATOM 431 C LYS A 47 7.979 5.103 20.498 1.00 17.27 C ATOM 432 O LYS A 47 8.380 4.462 19.529 1.00 17.22 O ATOM 433 CB LYS A 47 7.677 7.585 20.169 1.00 17.71 C ATOM 434 CG LYS A 47 6.835 8.609 19.392 1.00 21.03 C ATOM 435 CD LYS A 47 7.609 9.898 19.104 1.00 25.82 C ATOM 436 CE LYS A 47 7.242 10.964 20.074 1.00 24.13 C ATOM 437 NZ LYS A 47 7.962 12.274 19.805 1.00 19.62 N ATOM 438 HZ1 LYS A 47 8.989 12.123 19.870 1.00 0.00 H ATOM 439 HZ2 LYS A 47 7.719 12.612 18.852 1.00 0.00 H ATOM 440 HZ3 LYS A 47 7.669 12.980 20.510 1.00 0.00 H ATOM 441 H LYS A 47 5.779 7.192 21.822 1.00 0.00 H ATOM 442 N THR A 48 8.355 4.803 21.746 1.00 15.30 N ATOM 443 CA THR A 48 9.329 3.738 21.993 1.00 14.74 C ATOM 444 C THR A 48 8.797 2.381 21.529 1.00 15.57 C ATOM 445 O THR A 48 9.554 1.594 20.976 1.00 17.39 O ATOM 446 CB THR A 48 9.702 3.666 23.462 1.00 15.85 C ATOM 447 OG1 THR A 48 8.494 3.648 24.238 1.00 18.65 O ATOM 448 CG2 THR A 48 10.607 4.822 23.866 1.00 19.18 C ATOM 449 HG1 THR A 48 7.977 4.473 24.060 1.00 0.00 H ATOM 450 H THR A 48 7.953 5.330 22.547 1.00 0.00 H ATOM 451 N VAL A 49 7.477 2.118 21.746 1.00 15.60 N ATOM 452 CA VAL A 49 6.880 0.842 21.351 1.00 15.55 C ATOM 453 C VAL A 49 6.792 0.774 19.808 1.00 18.29 C ATOM 454 O VAL A 49 7.129 -0.250 19.199 1.00 18.27 O ATOM 455 CB VAL A 49 5.530 0.576 22.070 1.00 18.02 C ATOM 456 CG1 VAL A 49 4.858 -0.691 21.522 1.00 19.16 C ATOM 457 CG2 VAL A 49 5.721 0.461 23.606 1.00 17.72 C ATOM 458 H VAL A 49 6.882 2.839 22.202 1.00 0.00 H ATOM 459 N LEU A 50 6.372 1.880 19.175 1.00 16.18 N ATOM 460 CA LEU A 50 6.306 1.966 17.714 1.00 15.32 C ATOM 461 C LEU A 50 7.670 1.683 17.102 1.00 17.94 C ATOM 462 O LEU A 50 7.753 0.889 16.148 1.00 17.57 O ATOM 463 CB LEU A 50 5.812 3.359 17.292 1.00 15.47 C ATOM 464 CG LEU A 50 4.412 3.765 17.742 1.00 17.12 C ATOM 465 CD1 LEU A 50 4.047 5.115 17.149 1.00 18.06 C ATOM 466 CD2 LEU A 50 3.355 2.701 17.345 1.00 17.99 C ATOM 467 H LEU A 50 6.084 2.704 19.740 1.00 0.00 H ATOM 468 N MET A 51 8.744 2.284 17.662 1.00 15.84 N ATOM 469 CA MET A 51 10.118 2.070 17.176 1.00 14.63 C ATOM 470 C MET A 51 10.569 0.642 17.337 1.00 18.41 C ATOM 471 O MET A 51 11.281 0.112 16.479 1.00 18.14 O ATOM 472 CB MET A 51 11.116 2.970 17.905 1.00 16.22 C ATOM 473 CG MET A 51 10.977 4.442 17.583 1.00 16.16 C ATOM 474 SD MET A 51 12.330 5.398 18.386 1.00 19.00 S ATOM 475 CE MET A 51 13.697 4.890 17.458 1.00 19.73 C ATOM 476 H MET A 51 8.594 2.923 18.469 1.00 0.00 H ATOM 477 N ALA A 52 10.192 0.025 18.471 1.00 16.15 N ATOM 478 CA ALA A 52 10.583 -1.338 18.783 1.00 17.30 C ATOM 479 C ALA A 52 9.945 -2.357 17.863 1.00 23.53 C ATOM 480 O ALA A 52 10.455 -3.465 17.768 1.00 24.18 O ATOM 481 CB ALA A 52 10.208 -1.642 20.234 1.00 17.75 C ATOM 482 H ALA A 52 9.598 0.543 19.150 1.00 0.00 H ATOM 483 N CYS A 53 8.829 -2.002 17.229 1.00 19.25 N ATOM 484 CA CYS A 53 8.003 -2.914 16.441 1.00 18.71 C ATOM 485 C CYS A 53 7.980 -2.698 14.942 1.00 21.12 C ATOM 486 O CYS A 53 7.654 -3.629 14.197 1.00 21.67 O ATOM 487 CB CYS A 53 6.578 -2.831 16.963 1.00 18.64 C ATOM 488 SG CYS A 53 6.362 -3.486 18.629 1.00 21.04 S ATOM 489 H CYS A 53 8.525 -1.010 17.299 1.00 0.00 H ATOM 490 N SER A 54 8.122 -1.446 14.510 1.00 19.03 N ATOM 491 CA SER A 54 7.921 -1.074 13.113 1.00 17.99 C ATOM 492 C SER A 54 9.178 -0.435 12.539 1.00 21.81 C ATOM 493 O SER A 54 9.693 0.522 13.105 1.00 19.97 O ATOM 494 CB SER A 54 6.746 -0.086 13.063 1.00 18.42 C ATOM 495 OG SER A 54 6.724 0.662 11.852 1.00 19.28 O ATOM 496 HG SER A 54 6.639 0.043 11.084 1.00 0.00 H ATOM 497 H SER A 54 8.386 -0.707 15.193 1.00 0.00 H ATOM 498 N GLY A 55 9.635 -0.938 11.399 1.00 19.24 N ATOM 499 CA GLY A 55 10.807 -0.371 10.750 1.00 19.48 C ATOM 500 C GLY A 55 10.534 1.027 10.259 1.00 21.45 C ATOM 501 O GLY A 55 11.444 1.864 10.282 1.00 20.67 O ATOM 502 H GLY A 55 9.149 -1.748 10.964 1.00 0.00 H ATOM 503 N LEU A 56 9.258 1.325 9.877 1.00 19.45 N ATOM 504 CA LEU A 56 8.882 2.671 9.408 1.00 18.59 C ATOM 505 C LEU A 56 8.997 3.633 10.620 1.00 18.64 C ATOM 506 O LEU A 56 9.619 4.710 10.517 1.00 17.87 O ATOM 507 CB LEU A 56 7.424 2.710 8.898 1.00 18.83 C ATOM 508 CG LEU A 56 6.923 4.111 8.494 1.00 22.45 C ATOM 509 CD1 LEU A 56 7.748 4.664 7.316 1.00 24.11 C ATOM 510 CD2 LEU A 56 5.450 4.114 8.155 1.00 25.91 C ATOM 511 H LEU A 56 8.531 0.582 9.918 1.00 0.00 H ATOM 512 N PHE A 57 8.347 3.281 11.738 1.00 16.25 N ATOM 513 CA PHE A 57 8.417 4.194 12.885 1.00 16.88 C ATOM 514 C PHE A 57 9.827 4.264 13.451 1.00 17.72 C ATOM 515 O PHE A 57 10.234 5.342 13.909 1.00 17.83 O ATOM 516 CB PHE A 57 7.383 3.793 13.926 1.00 17.46 C ATOM 517 CG PHE A 57 5.950 4.051 13.528 1.00 17.53 C ATOM 518 CD1 PHE A 57 5.537 5.320 13.132 1.00 19.19 C ATOM 519 CD2 PHE A 57 4.992 3.056 13.640 1.00 18.63 C ATOM 520 CE1 PHE A 57 4.201 5.561 12.775 1.00 19.89 C ATOM 521 CE2 PHE A 57 3.657 3.295 13.277 1.00 21.49 C ATOM 522 CZ PHE A 57 3.275 4.542 12.825 1.00 21.41 C ATOM 523 H PHE A 57 7.811 2.391 11.791 1.00 0.00 H ATOM 524 N TYR A 58 10.574 3.173 13.438 1.00 16.14 N ATOM 525 CA TYR A 58 11.969 3.232 13.840 1.00 15.87 C ATOM 526 C TYR A 58 12.734 4.281 13.020 1.00 19.17 C ATOM 527 O TYR A 58 13.379 5.152 13.584 1.00 18.79 O ATOM 528 CB TYR A 58 12.635 1.845 13.708 1.00 18.49 C ATOM 529 CG TYR A 58 14.107 1.967 13.983 1.00 19.98 C ATOM 530 CD1 TYR A 58 14.582 2.057 15.288 1.00 19.63 C ATOM 531 CD2 TYR A 58 15.007 2.194 12.949 1.00 21.60 C ATOM 532 CE1 TYR A 58 15.908 2.373 15.553 1.00 21.87 C ATOM 533 CE2 TYR A 58 16.339 2.495 13.200 1.00 23.82 C ATOM 534 CZ TYR A 58 16.786 2.590 14.503 1.00 26.05 C ATOM 535 OH TYR A 58 18.110 2.878 14.736 1.00 28.75 O ATOM 536 HH TYR A 58 18.272 2.912 15.712 1.00 0.00 H ATOM 537 H TYR A 58 10.160 2.267 13.138 1.00 0.00 H ATOM 538 N SER A 59 12.621 4.205 11.673 1.00 18.05 N ATOM 539 CA SER A 59 13.322 5.099 10.756 1.00 17.51 C ATOM 540 C SER A 59 12.934 6.546 10.967 1.00 20.32 C ATOM 541 O SER A 59 13.791 7.427 10.851 1.00 21.17 O ATOM 542 CB SER A 59 13.085 4.683 9.309 1.00 20.11 C ATOM 543 OG SER A 59 13.677 3.414 9.101 1.00 23.58 O ATOM 544 HG SER A 59 13.265 2.754 9.714 1.00 0.00 H ATOM 545 H SER A 59 12.003 3.472 11.271 1.00 0.00 H ATOM 546 N ILE A 60 11.652 6.806 11.289 1.00 16.63 N ATOM 547 CA ILE A 60 11.184 8.166 11.494 1.00 17.21 C ATOM 548 C ILE A 60 11.788 8.737 12.791 1.00 20.39 C ATOM 549 O ILE A 60 12.503 9.760 12.753 1.00 20.65 O ATOM 550 CB ILE A 60 9.618 8.213 11.520 1.00 19.32 C ATOM 551 CG1 ILE A 60 9.032 7.936 10.098 1.00 20.24 C ATOM 552 CG2 ILE A 60 9.097 9.559 12.121 1.00 21.60 C ATOM 553 CD1 ILE A 60 7.487 7.682 10.029 1.00 25.17 C ATOM 554 H ILE A 60 10.983 6.016 11.393 1.00 0.00 H ATOM 555 N PHE A 61 11.480 8.102 13.939 1.00 18.13 N ATOM 556 CA PHE A 61 11.834 8.635 15.240 1.00 17.74 C ATOM 557 C PHE A 61 13.326 8.536 15.590 1.00 20.19 C ATOM 558 O PHE A 61 13.768 9.311 16.449 1.00 20.18 O ATOM 559 CB PHE A 61 10.943 8.061 16.340 1.00 18.81 C ATOM 560 CG PHE A 61 9.459 8.296 16.102 1.00 19.37 C ATOM 561 CD1 PHE A 61 8.960 9.577 15.888 1.00 22.38 C ATOM 562 CD2 PHE A 61 8.570 7.235 16.053 1.00 19.39 C ATOM 563 CE1 PHE A 61 7.586 9.784 15.654 1.00 23.33 C ATOM 564 CE2 PHE A 61 7.203 7.446 15.844 1.00 21.26 C ATOM 565 CZ PHE A 61 6.718 8.715 15.660 1.00 21.13 C ATOM 566 H PHE A 61 10.970 7.197 13.890 1.00 0.00 H ATOM 567 N THR A 62 14.108 7.658 14.953 1.00 18.04 N ATOM 568 CA THR A 62 15.537 7.583 15.246 1.00 19.06 C ATOM 569 C THR A 62 16.236 8.829 14.749 1.00 22.90 C ATOM 570 O THR A 62 17.284 9.215 15.273 1.00 22.83 O ATOM 571 CB THR A 62 16.176 6.304 14.702 1.00 24.84 C ATOM 572 OG1 THR A 62 17.444 6.142 15.364 1.00 26.70 O ATOM 573 CG2 THR A 62 16.353 6.311 13.169 1.00 22.40 C ATOM 574 HG1 THR A 62 18.018 6.926 15.172 1.00 0.00 H ATOM 575 H THR A 62 13.694 7.022 14.242 1.00 0.00 H ATOM 576 N ASP A 63 15.669 9.446 13.705 1.00 19.56 N ATOM 577 CA ASP A 63 16.222 10.648 13.111 1.00 19.03 C ATOM 578 C ASP A 63 15.929 11.833 14.037 1.00 20.54 C ATOM 579 O ASP A 63 14.766 12.124 14.316 1.00 18.11 O ATOM 580 CB ASP A 63 15.556 10.857 11.734 1.00 19.60 C ATOM 581 CG ASP A 63 16.118 12.020 10.934 1.00 24.30 C ATOM 582 OD1 ASP A 63 16.843 12.856 11.523 1.00 23.55 O ATOM 583 OD2 ASP A 63 15.883 12.063 9.697 1.00 24.93 O ATOM 584 H ASP A 63 14.796 9.047 13.304 1.00 0.00 H ATOM 585 N GLN A 64 16.979 12.524 14.471 1.00 19.94 N ATOM 586 CA GLN A 64 16.799 13.721 15.308 1.00 20.58 C ATOM 587 C GLN A 64 15.881 14.772 14.666 1.00 24.56 C ATOM 588 O GLN A 64 15.237 15.532 15.386 1.00 25.08 O ATOM 589 CB GLN A 64 18.159 14.322 15.703 1.00 23.44 C ATOM 590 CG GLN A 64 18.651 13.854 17.064 1.00 46.33 C ATOM 591 CD GLN A 64 17.956 14.534 18.226 1.00 64.39 C ATOM 592 OE1 GLN A 64 17.806 13.947 19.301 1.00 57.77 O ATOM 593 NE2 GLN A 64 17.549 15.798 18.057 1.00 55.83 N ATOM 594 HE22 GLN A 64 17.687 16.271 17.141 1.00 0.00 H ATOM 595 HE21 GLN A 64 17.095 16.307 18.842 1.00 0.00 H ATOM 596 H GLN A 64 17.939 12.215 14.216 1.00 0.00 H ATOM 597 N LEU A 65 15.754 14.774 13.317 1.00 21.21 N ATOM 598 CA LEU A 65 14.872 15.709 12.611 1.00 21.50 C ATOM 599 C LEU A 65 13.393 15.483 12.940 1.00 23.00 C ATOM 600 O LEU A 65 12.578 16.412 12.837 1.00 24.54 O ATOM 601 CB LEU A 65 15.087 15.578 11.070 1.00 22.71 C ATOM 602 CG LEU A 65 14.159 16.373 10.131 1.00 27.07 C ATOM 603 CD1 LEU A 65 14.696 17.798 9.916 1.00 28.38 C ATOM 604 CD2 LEU A 65 13.975 15.666 8.807 1.00 30.14 C ATOM 605 H LEU A 65 16.302 14.087 12.762 1.00 0.00 H ATOM 606 N LYS A 66 13.033 14.229 13.284 1.00 17.57 N ATOM 607 CA LYS A 66 11.624 13.867 13.470 1.00 17.98 C ATOM 608 C LYS A 66 11.364 13.285 14.860 1.00 19.84 C ATOM 609 O LYS A 66 10.195 13.071 15.209 1.00 20.08 O ATOM 610 CB LYS A 66 11.255 12.792 12.437 1.00 21.05 C ATOM 611 CG LYS A 66 11.305 13.271 10.999 1.00 25.51 C ATOM 612 CD LYS A 66 10.936 12.131 10.058 1.00 29.20 C ATOM 613 CE LYS A 66 10.606 12.628 8.674 1.00 49.81 C ATOM 614 NZ LYS A 66 10.426 11.502 7.710 1.00 57.99 N ATOM 615 HZ1 LYS A 66 11.305 10.948 7.658 1.00 0.00 H ATOM 616 HZ2 LYS A 66 9.648 10.892 8.033 1.00 0.00 H ATOM 617 HZ3 LYS A 66 10.200 11.885 6.770 1.00 0.00 H ATOM 618 H LYS A 66 13.768 13.506 13.420 1.00 0.00 H ATOM 619 N ARG A 67 12.414 13.075 15.639 1.00 17.82 N ATOM 620 CA ARG A 67 12.341 12.457 16.978 1.00 18.97 C ATOM 621 C ARG A 67 11.224 13.049 17.859 1.00 20.81 C ATOM 622 O ARG A 67 10.543 12.282 18.566 1.00 21.92 O ATOM 623 CB ARG A 67 13.726 12.548 17.644 1.00 20.02 C ATOM 624 CG ARG A 67 13.830 12.182 19.144 1.00 29.31 C ATOM 625 CD ARG A 67 14.293 10.765 19.399 1.00 27.91 C ATOM 626 NE ARG A 67 15.390 10.325 18.524 1.00 17.61 N ATOM 627 CZ ARG A 67 16.674 10.285 18.882 1.00 18.06 C ATOM 628 NH1 ARG A 67 17.047 10.670 20.103 1.00 18.20 N ATOM 629 NH2 ARG A 67 17.587 9.827 18.040 1.00 22.12 N ATOM 630 HE ARG A 67 15.148 10.024 17.559 1.00 0.00 H ATOM 631 HH12 ARG A 67 18.050 10.636 20.375 1.00 0.00 H ATOM 632 HH11 ARG A 67 16.335 11.004 20.783 1.00 0.00 H ATOM 633 HH22 ARG A 67 18.587 9.798 18.323 1.00 0.00 H ATOM 634 HH21 ARG A 67 17.304 9.497 17.095 1.00 0.00 H ATOM 635 H ARG A 67 13.349 13.363 15.286 1.00 0.00 H ATOM 636 N ASN A 68 11.028 14.378 17.816 1.00 18.04 N ATOM 637 CA ASN A 68 10.109 15.032 18.738 1.00 18.76 C ATOM 638 C ASN A 68 8.709 15.320 18.180 1.00 23.53 C ATOM 639 O ASN A 68 7.881 15.919 18.880 1.00 25.45 O ATOM 640 CB ASN A 68 10.768 16.298 19.310 1.00 19.22 C ATOM 641 CG ASN A 68 11.966 15.923 20.170 1.00 27.21 C ATOM 642 OD1 ASN A 68 11.860 15.181 21.166 1.00 27.97 O ATOM 643 ND2 ASN A 68 13.165 16.227 19.694 1.00 23.96 N ATOM 644 HD22 ASN A 68 13.253 16.846 18.863 1.00 0.00 H ATOM 645 HD21 ASN A 68 14.018 15.846 20.151 1.00 0.00 H ATOM 646 H ASN A 68 11.540 14.948 17.113 1.00 0.00 H ATOM 647 N LEU A 69 8.415 14.813 16.995 1.00 21.64 N ATOM 648 CA LEU A 69 7.100 14.979 16.393 1.00 22.52 C ATOM 649 C LEU A 69 6.015 14.395 17.317 1.00 24.31 C ATOM 650 O LEU A 69 6.202 13.319 17.886 1.00 24.88 O ATOM 651 CB LEU A 69 7.046 14.281 15.031 1.00 23.73 C ATOM 652 CG LEU A 69 7.777 15.021 13.900 1.00 30.36 C ATOM 653 CD1 LEU A 69 7.782 14.203 12.635 1.00 31.39 C ATOM 654 CD2 LEU A 69 7.165 16.396 13.641 1.00 32.53 C ATOM 655 H LEU A 69 9.144 14.281 16.478 1.00 0.00 H ATOM 656 N SER A 70 4.910 15.125 17.495 1.00 23.16 N ATOM 657 CA SER A 70 3.826 14.626 18.342 1.00 23.73 C ATOM 658 C SER A 70 2.646 14.139 17.509 1.00 23.22 C ATOM 659 O SER A 70 1.698 13.613 18.089 1.00 20.70 O ATOM 660 CB SER A 70 3.383 15.681 19.354 1.00 29.44 C ATOM 661 OG SER A 70 2.833 16.826 18.728 1.00 41.34 O ATOM 662 HG SER A 70 2.561 17.480 19.420 1.00 0.00 H ATOM 663 H SER A 70 4.820 16.051 17.030 1.00 0.00 H ATOM 664 N VAL A 71 2.682 14.348 16.174 1.00 20.05 N ATOM 665 CA VAL A 71 1.630 13.932 15.240 1.00 19.50 C ATOM 666 C VAL A 71 2.347 13.342 14.026 1.00 24.78 C ATOM 667 O VAL A 71 3.276 13.980 13.514 1.00 25.20 O ATOM 668 CB VAL A 71 0.717 15.123 14.757 1.00 24.26 C ATOM 669 CG1 VAL A 71 -0.365 14.632 13.800 1.00 24.81 C ATOM 670 CG2 VAL A 71 0.075 15.892 15.908 1.00 24.97 C ATOM 671 H VAL A 71 3.512 14.837 15.782 1.00 0.00 H ATOM 672 N ILE A 72 1.921 12.150 13.568 1.00 21.61 N ATOM 673 CA ILE A 72 2.434 11.529 12.348 1.00 21.89 C ATOM 674 C ILE A 72 1.225 11.241 11.501 1.00 21.86 C ATOM 675 O ILE A 72 0.320 10.543 11.939 1.00 21.56 O ATOM 676 CB ILE A 72 3.248 10.221 12.557 1.00 25.42 C ATOM 677 CG1 ILE A 72 4.478 10.435 13.459 1.00 27.01 C ATOM 678 CG2 ILE A 72 3.628 9.555 11.212 1.00 26.91 C ATOM 679 CD1 ILE A 72 5.609 11.243 12.827 1.00 28.38 C ATOM 680 H ILE A 72 1.190 11.645 14.109 1.00 0.00 H ATOM 681 N ASN A 73 1.204 11.792 10.285 1.00 19.91 N ATOM 682 CA ASN A 73 0.128 11.507 9.339 1.00 21.46 C ATOM 683 C ASN A 73 0.591 10.386 8.430 1.00 25.73 C ATOM 684 O ASN A 73 1.549 10.565 7.662 1.00 26.00 O ATOM 685 CB ASN A 73 -0.182 12.749 8.532 1.00 21.34 C ATOM 686 CG ASN A 73 -0.772 13.843 9.364 1.00 30.91 C ATOM 687 OD1 ASN A 73 -1.971 13.851 9.640 1.00 33.17 O ATOM 688 ND2 ASN A 73 0.061 14.770 9.806 1.00 36.24 N ATOM 689 HD22 ASN A 73 1.068 14.728 9.550 1.00 0.00 H ATOM 690 HD21 ASN A 73 -0.291 15.541 10.409 1.00 0.00 H ATOM 691 H ASN A 73 1.970 12.438 10.005 1.00 0.00 H ATOM 692 N LEU A 74 -0.065 9.221 8.510 1.00 21.10 N ATOM 693 CA LEU A 74 0.312 8.103 7.654 1.00 22.00 C ATOM 694 C LEU A 74 -0.222 8.323 6.249 1.00 25.88 C ATOM 695 O LEU A 74 -1.105 9.160 6.048 1.00 24.25 O ATOM 696 CB LEU A 74 -0.248 6.775 8.180 1.00 23.37 C ATOM 697 CG LEU A 74 0.303 6.224 9.487 1.00 27.15 C ATOM 698 CD1 LEU A 74 -0.023 4.741 9.606 1.00 28.97 C ATOM 699 CD2 LEU A 74 1.806 6.426 9.611 1.00 25.25 C ATOM 700 H LEU A 74 -0.848 9.113 9.186 1.00 0.00 H ATOM 701 N ASP A 75 0.282 7.545 5.287 1.00 24.22 N ATOM 702 CA ASP A 75 -0.182 7.573 3.898 1.00 25.50 C ATOM 703 C ASP A 75 -1.729 7.486 3.918 1.00 31.33 C ATOM 704 O ASP A 75 -2.253 6.609 4.611 1.00 30.21 O ATOM 705 CB ASP A 75 0.432 6.355 3.173 1.00 26.35 C ATOM 706 CG ASP A 75 -0.092 5.996 1.794 1.00 32.48 C ATOM 707 OD1 ASP A 75 -1.034 6.654 1.323 1.00 35.38 O ATOM 708 OD2 ASP A 75 0.396 5.021 1.224 1.00 32.31 O ATOM 709 H ASP A 75 1.045 6.884 5.538 1.00 0.00 H ATOM 710 N PRO A 76 -2.464 8.401 3.222 1.00 31.46 N ATOM 711 CA PRO A 76 -3.950 8.367 3.260 1.00 32.43 C ATOM 712 C PRO A 76 -4.582 7.059 2.810 1.00 36.12 C ATOM 713 O PRO A 76 -5.704 6.735 3.235 1.00 36.50 O ATOM 714 CB PRO A 76 -4.358 9.499 2.303 1.00 35.25 C ATOM 715 CG PRO A 76 -3.158 9.752 1.459 1.00 39.56 C ATOM 716 CD PRO A 76 -1.993 9.523 2.386 1.00 33.67 C ATOM 717 N GLU A 77 -3.861 6.302 1.963 1.00 31.29 N ATOM 718 CA GLU A 77 -4.309 5.006 1.459 1.00 31.27 C ATOM 719 C GLU A 77 -4.392 3.929 2.519 1.00 33.26 C ATOM 720 O GLU A 77 -5.044 2.908 2.284 1.00 33.91 O ATOM 721 CB GLU A 77 -3.437 4.518 0.285 1.00 33.42 C ATOM 722 CG GLU A 77 -3.558 5.361 -0.979 1.00 40.96 C ATOM 723 CD GLU A 77 -4.962 5.593 -1.504 1.00 53.80 C ATOM 724 OE1 GLU A 77 -5.809 4.684 -1.361 1.00 37.40 O ATOM 725 OE2 GLU A 77 -5.216 6.689 -2.056 1.00 51.68 O ATOM 726 H GLU A 77 -2.935 6.658 1.650 1.00 0.00 H ATOM 727 N ILE A 78 -3.724 4.128 3.663 1.00 30.06 N ATOM 728 CA ILE A 78 -3.751 3.137 4.737 1.00 30.50 C ATOM 729 C ILE A 78 -5.126 3.143 5.410 1.00 37.67 C ATOM 730 O ILE A 78 -5.644 4.208 5.745 1.00 39.59 O ATOM 731 CB ILE A 78 -2.578 3.337 5.738 1.00 32.05 C ATOM 732 CG1 ILE A 78 -1.197 3.290 5.024 1.00 32.82 C ATOM 733 CG2 ILE A 78 -2.658 2.348 6.922 1.00 32.43 C ATOM 734 CD1 ILE A 78 -0.824 1.926 4.293 1.00 40.77 C ATOM 735 H ILE A 78 -3.176 5.003 3.789 1.00 0.00 H ATOM 736 N ASN A 79 -5.711 1.967 5.579 1.00 36.93 N ATOM 737 CA ASN A 79 -7.024 1.858 6.207 1.00 37.72 C ATOM 738 C ASN A 79 -6.881 1.698 7.716 1.00 37.78 C ATOM 739 O ASN A 79 -5.977 0.985 8.169 1.00 34.44 O ATOM 740 CB ASN A 79 -7.853 0.743 5.584 1.00 46.93 C ATOM 741 CG ASN A 79 -8.388 1.099 4.213 1.00 84.80 C ATOM 742 OD1 ASN A 79 -8.940 2.185 3.984 1.00 83.23 O ATOM 743 ND2 ASN A 79 -8.242 0.187 3.267 1.00 80.65 N ATOM 744 HD22 ASN A 79 -7.775 -0.717 3.484 1.00 0.00 H ATOM 745 HD21 ASN A 79 -8.594 0.373 2.306 1.00 0.00 H ATOM 746 H ASN A 79 -5.226 1.105 5.258 1.00 0.00 H ATOM 747 N PRO A 80 -7.707 2.411 8.519 1.00 35.07 N ATOM 748 CA PRO A 80 -7.562 2.305 9.975 1.00 33.67 C ATOM 749 C PRO A 80 -7.774 0.908 10.544 1.00 35.64 C ATOM 750 O PRO A 80 -7.214 0.634 11.596 1.00 33.64 O ATOM 751 CB PRO A 80 -8.562 3.321 10.524 1.00 36.42 C ATOM 752 CG PRO A 80 -9.538 3.540 9.428 1.00 42.70 C ATOM 753 CD PRO A 80 -8.799 3.338 8.146 1.00 38.57 C ATOM 754 N GLU A 81 -8.525 0.025 9.851 1.00 33.47 N ATOM 755 CA GLU A 81 -8.750 -1.344 10.324 1.00 33.26 C ATOM 756 C GLU A 81 -7.430 -2.128 10.447 1.00 32.25 C ATOM 757 O GLU A 81 -7.127 -2.661 11.513 1.00 30.25 O ATOM 758 CB GLU A 81 -9.747 -2.075 9.400 1.00 36.37 C ATOM 759 CG GLU A 81 -9.832 -3.574 9.641 1.00 45.03 C ATOM 760 CD GLU A 81 -10.456 -4.434 8.554 1.00 56.06 C ATOM 761 OE1 GLU A 81 -10.931 -5.538 8.900 1.00 50.40 O ATOM 762 OE2 GLU A 81 -10.435 -4.037 7.365 1.00 48.13 O ATOM 763 H GLU A 81 -8.957 0.326 8.954 1.00 0.00 H ATOM 764 N GLY A 82 -6.677 -2.195 9.356 1.00 29.31 N ATOM 765 CA GLY A 82 -5.395 -2.886 9.297 1.00 28.81 C ATOM 766 C GLY A 82 -4.370 -2.262 10.221 1.00 28.84 C ATOM 767 O GLY A 82 -3.654 -2.985 10.924 1.00 27.37 O ATOM 768 H GLY A 82 -7.022 -1.727 8.493 1.00 0.00 H ATOM 769 N PHE A 83 -4.372 -0.904 10.315 1.00 25.03 N ATOM 770 CA PHE A 83 -3.461 -0.229 11.220 1.00 22.59 C ATOM 771 C PHE A 83 -3.763 -0.611 12.669 1.00 25.01 C ATOM 772 O PHE A 83 -2.847 -0.998 13.412 1.00 23.69 O ATOM 773 CB PHE A 83 -3.524 1.303 11.068 1.00 22.02 C ATOM 774 CG PHE A 83 -2.501 1.946 11.969 1.00 21.94 C ATOM 775 CD1 PHE A 83 -1.142 1.876 11.665 1.00 23.35 C ATOM 776 CD2 PHE A 83 -2.879 2.514 13.178 1.00 22.25 C ATOM 777 CE1 PHE A 83 -0.186 2.347 12.569 1.00 21.61 C ATOM 778 CE2 PHE A 83 -1.929 3.061 14.033 1.00 22.42 C ATOM 779 CZ PHE A 83 -0.588 2.977 13.723 1.00 21.18 C ATOM 780 H PHE A 83 -5.031 -0.347 9.734 1.00 0.00 H ATOM 781 N ASN A 84 -5.054 -0.536 13.068 1.00 23.50 N ATOM 782 CA ASN A 84 -5.468 -0.877 14.429 1.00 23.74 C ATOM 783 C ASN A 84 -5.097 -2.324 14.797 1.00 24.44 C ATOM 784 O ASN A 84 -4.621 -2.550 15.905 1.00 22.83 O ATOM 785 CB ASN A 84 -6.962 -0.621 14.646 1.00 28.28 C ATOM 786 CG ASN A 84 -7.309 -0.410 16.112 1.00 45.43 C ATOM 787 OD1 ASN A 84 -6.443 -0.365 16.979 1.00 39.89 O ATOM 788 ND2 ASN A 84 -8.570 -0.180 16.412 1.00 41.94 N ATOM 789 HD22 ASN A 84 -9.297 -0.221 15.669 1.00 0.00 H ATOM 790 HD21 ASN A 84 -8.839 0.042 17.392 1.00 0.00 H ATOM 791 H ASN A 84 -5.775 -0.226 12.385 1.00 0.00 H ATOM 792 N ILE A 85 -5.274 -3.286 13.866 1.00 24.42 N ATOM 793 CA ILE A 85 -4.894 -4.662 14.118 1.00 23.47 C ATOM 794 C ILE A 85 -3.392 -4.773 14.382 1.00 24.79 C ATOM 795 O ILE A 85 -3.004 -5.465 15.314 1.00 24.32 O ATOM 796 CB ILE A 85 -5.365 -5.543 12.951 1.00 26.90 C ATOM 797 CG1 ILE A 85 -6.906 -5.769 13.019 1.00 29.34 C ATOM 798 CG2 ILE A 85 -4.607 -6.882 12.896 1.00 29.43 C ATOM 799 CD1 ILE A 85 -7.614 -6.033 11.617 1.00 31.13 C ATOM 800 H ILE A 85 -5.692 -3.034 12.948 1.00 0.00 H ATOM 801 N LEU A 86 -2.572 -4.018 13.668 1.00 23.22 N ATOM 802 CA LEU A 86 -1.125 -4.047 13.835 1.00 22.19 C ATOM 803 C LEU A 86 -0.672 -3.341 15.090 1.00 23.77 C ATOM 804 O LEU A 86 0.266 -3.805 15.726 1.00 21.40 O ATOM 805 CB LEU A 86 -0.399 -3.528 12.591 1.00 22.42 C ATOM 806 CG LEU A 86 -0.564 -4.477 11.389 1.00 26.69 C ATOM 807 CD1 LEU A 86 -0.096 -3.840 10.132 1.00 27.41 C ATOM 808 CD2 LEU A 86 0.146 -5.813 11.620 1.00 29.67 C ATOM 809 H LEU A 86 -2.978 -3.377 12.957 1.00 0.00 H ATOM 810 N LEU A 87 -1.316 -2.213 15.447 1.00 21.35 N ATOM 811 CA LEU A 87 -0.999 -1.488 16.677 1.00 19.33 C ATOM 812 C LEU A 87 -1.326 -2.418 17.833 1.00 19.67 C ATOM 813 O LEU A 87 -0.549 -2.484 18.793 1.00 20.69 O ATOM 814 CB LEU A 87 -1.832 -0.217 16.783 1.00 18.95 C ATOM 815 CG LEU A 87 -1.541 0.697 18.001 1.00 21.23 C ATOM 816 CD1 LEU A 87 -0.071 1.177 18.018 1.00 20.85 C ATOM 817 CD2 LEU A 87 -2.454 1.925 17.990 1.00 23.13 C ATOM 818 H LEU A 87 -2.065 -1.845 14.826 1.00 0.00 H ATOM 819 N ASP A 88 -2.487 -3.074 17.796 1.00 20.80 N ATOM 820 CA ASP A 88 -2.826 -4.022 18.885 1.00 20.52 C ATOM 821 C ASP A 88 -1.800 -5.146 18.979 1.00 23.81 C ATOM 822 O ASP A 88 -1.399 -5.522 20.100 1.00 22.33 O ATOM 823 CB ASP A 88 -4.229 -4.631 18.710 1.00 22.68 C ATOM 824 CG ASP A 88 -5.406 -3.742 19.059 1.00 33.12 C ATOM 825 OD1 ASP A 88 -5.196 -2.712 19.729 1.00 35.30 O ATOM 826 OD2 ASP A 88 -6.551 -4.117 18.720 1.00 41.62 O ATOM 827 H ASP A 88 -3.150 -2.922 17.009 1.00 0.00 H ATOM 828 N PHE A 89 -1.329 -5.644 17.824 1.00 21.99 N ATOM 829 CA PHE A 89 -0.289 -6.666 17.781 1.00 21.26 C ATOM 830 C PHE A 89 0.984 -6.160 18.470 1.00 22.86 C ATOM 831 O PHE A 89 1.562 -6.861 19.318 1.00 22.16 O ATOM 832 CB PHE A 89 0.014 -7.103 16.341 1.00 23.02 C ATOM 833 CG PHE A 89 1.311 -7.866 16.246 1.00 22.30 C ATOM 834 CD1 PHE A 89 1.400 -9.166 16.707 1.00 24.07 C ATOM 835 CD2 PHE A 89 2.482 -7.233 15.860 1.00 22.78 C ATOM 836 CE1 PHE A 89 2.615 -9.834 16.711 1.00 26.07 C ATOM 837 CE2 PHE A 89 3.696 -7.915 15.862 1.00 24.26 C ATOM 838 CZ PHE A 89 3.754 -9.215 16.287 1.00 24.91 C ATOM 839 H PHE A 89 -1.720 -5.288 16.928 1.00 0.00 H ATOM 840 N MET A 90 1.391 -4.918 18.163 1.00 20.93 N ATOM 841 CA MET A 90 2.601 -4.392 18.781 1.00 17.92 C ATOM 842 C MET A 90 2.550 -4.508 20.271 1.00 20.28 C ATOM 843 O MET A 90 3.551 -4.831 20.904 1.00 20.44 O ATOM 844 CB MET A 90 2.784 -2.914 18.459 1.00 18.34 C ATOM 845 CG MET A 90 2.966 -2.678 16.987 1.00 18.72 C ATOM 846 SD MET A 90 3.308 -0.947 16.645 1.00 19.85 S ATOM 847 CE MET A 90 3.043 -0.846 14.944 1.00 20.09 C ATOM 848 H MET A 90 0.849 -4.338 17.492 1.00 0.00 H ATOM 849 N TYR A 91 1.384 -4.178 20.834 1.00 18.68 N ATOM 850 CA TYR A 91 1.234 -4.115 22.284 1.00 17.56 C ATOM 851 C TYR A 91 0.765 -5.415 22.932 1.00 20.52 C ATOM 852 O TYR A 91 0.610 -5.406 24.166 1.00 20.44 O ATOM 853 CB TYR A 91 0.240 -3.005 22.618 1.00 19.14 C ATOM 854 CG TYR A 91 0.836 -1.614 22.671 1.00 16.36 C ATOM 855 CD1 TYR A 91 1.296 -1.082 23.874 1.00 17.56 C ATOM 856 CD2 TYR A 91 0.857 -0.798 21.544 1.00 17.16 C ATOM 857 CE1 TYR A 91 1.815 0.203 23.951 1.00 15.99 C ATOM 858 CE2 TYR A 91 1.390 0.492 21.600 1.00 18.04 C ATOM 859 CZ TYR A 91 1.859 0.989 22.810 1.00 16.71 C ATOM 860 OH TYR A 91 2.280 2.293 22.879 1.00 17.15 O ATOM 861 HH TYR A 91 2.582 2.493 23.800 1.00 0.00 H ATOM 862 H TYR A 91 0.568 -3.962 20.227 1.00 0.00 H ATOM 863 N THR A 92 0.505 -6.506 22.144 1.00 20.21 N ATOM 864 CA THR A 92 -0.033 -7.713 22.753 1.00 20.50 C ATOM 865 C THR A 92 0.629 -9.019 22.340 1.00 24.12 C ATOM 866 O THR A 92 0.344 -10.054 22.964 1.00 23.29 O ATOM 867 CB THR A 92 -1.555 -7.872 22.461 1.00 21.84 C ATOM 868 OG1 THR A 92 -1.742 -8.034 21.051 1.00 23.02 O ATOM 869 CG2 THR A 92 -2.409 -6.722 22.996 1.00 21.94 C ATOM 870 HG1 THR A 92 -1.392 -7.237 20.579 1.00 0.00 H ATOM 871 H THR A 92 0.690 -6.471 21.121 1.00 0.00 H ATOM 872 N SER A 93 1.379 -9.016 21.209 1.00 20.68 N ATOM 873 CA SER A 93 1.972 -10.237 20.611 1.00 23.31 C ATOM 874 C SER A 93 0.902 -11.095 19.934 1.00 26.74 C ATOM 875 O SER A 93 1.183 -12.241 19.529 1.00 27.45 O ATOM 876 CB SER A 93 2.721 -11.082 21.644 1.00 22.97 C ATOM 877 OG SER A 93 3.658 -10.337 22.398 1.00 25.43 O ATOM 878 HG SER A 93 4.108 -10.935 23.046 1.00 0.00 H ATOM 879 H SER A 93 1.548 -8.106 20.735 1.00 0.00 H ATOM 880 N ARG A 94 -0.328 -10.583 19.841 1.00 23.97 N ATOM 881 CA ARG A 94 -1.474 -11.251 19.226 1.00 26.30 C ATOM 882 C ARG A 94 -1.930 -10.577 17.942 1.00 27.96 C ATOM 883 O ARG A 94 -2.211 -9.370 17.955 1.00 25.53 O ATOM 884 CB ARG A 94 -2.630 -11.410 20.214 1.00 27.71 C ATOM 885 CG ARG A 94 -2.241 -12.232 21.445 1.00 36.43 C ATOM 886 CD ARG A 94 -3.332 -12.266 22.488 1.00 54.50 C ATOM 887 NE ARG A 94 -2.952 -13.099 23.630 1.00 70.32 N ATOM 888 CZ ARG A 94 -3.705 -13.287 24.710 1.00 89.88 C ATOM 889 NH1 ARG A 94 -4.895 -12.706 24.810 1.00 79.58 N ATOM 890 NH2 ARG A 94 -3.275 -14.061 25.698 1.00 77.90 N ATOM 891 HE ARG A 94 -2.029 -13.577 23.594 1.00 0.00 H ATOM 892 HH12 ARG A 94 -5.478 -12.858 25.658 1.00 0.00 H ATOM 893 HH11 ARG A 94 -5.244 -12.099 24.041 1.00 0.00 H ATOM 894 HH22 ARG A 94 -3.867 -14.205 26.541 1.00 0.00 H ATOM 895 HH21 ARG A 94 -2.346 -14.523 25.630 1.00 0.00 H ATOM 896 H ARG A 94 -0.483 -9.634 20.237 1.00 0.00 H ATOM 897 N LEU A 95 -1.983 -11.348 16.835 1.00 27.07 N ATOM 898 CA LEU A 95 -2.326 -10.833 15.515 1.00 28.64 C ATOM 899 C LEU A 95 -3.655 -11.417 15.039 1.00 33.09 C ATOM 900 O LEU A 95 -3.799 -12.639 14.883 1.00 32.75 O ATOM 901 CB LEU A 95 -1.184 -11.147 14.549 1.00 28.55 C ATOM 902 CG LEU A 95 -1.326 -10.613 13.123 1.00 31.04 C ATOM 903 CD1 LEU A 95 -1.172 -9.088 13.087 1.00 29.57 C ATOM 904 CD2 LEU A 95 -0.303 -11.275 12.198 1.00 29.97 C ATOM 905 H LEU A 95 -1.768 -12.361 16.929 1.00 0.00 H ATOM 906 N ASN A 96 -4.645 -10.538 14.892 1.00 31.18 N ATOM 907 CA ASN A 96 -5.984 -10.904 14.465 1.00 33.36 C ATOM 908 C ASN A 96 -6.051 -10.957 12.948 1.00 38.32 C ATOM 909 O ASN A 96 -6.386 -9.950 12.312 1.00 38.20 O ATOM 910 CB ASN A 96 -7.028 -9.946 15.035 1.00 38.84 C ATOM 911 CG ASN A 96 -8.471 -10.394 14.917 1.00 64.45 C ATOM 912 OD1 ASN A 96 -8.801 -11.489 14.435 1.00 61.88 O ATOM 913 ND2 ASN A 96 -9.371 -9.554 15.398 1.00 59.36 N ATOM 914 HD22 ASN A 96 -9.070 -8.642 15.797 1.00 0.00 H ATOM 915 HD21 ASN A 96 -10.380 -9.805 15.377 1.00 0.00 H ATOM 916 H ASN A 96 -4.449 -9.537 15.094 1.00 0.00 H ATOM 917 N LEU A 97 -5.692 -12.122 12.367 1.00 37.86 N ATOM 918 CA LEU A 97 -5.736 -12.328 10.916 1.00 39.93 C ATOM 919 C LEU A 97 -6.971 -13.145 10.593 1.00 45.90 C ATOM 920 O LEU A 97 -7.160 -14.229 11.151 1.00 47.59 O ATOM 921 CB LEU A 97 -4.512 -13.113 10.411 1.00 40.97 C ATOM 922 CG LEU A 97 -3.173 -12.411 10.265 1.00 43.34 C ATOM 923 CD1 LEU A 97 -2.196 -13.303 9.500 1.00 43.93 C ATOM 924 CD2 LEU A 97 -3.303 -11.091 9.505 1.00 44.53 C ATOM 925 H LEU A 97 -5.372 -12.904 12.973 1.00 0.00 H ATOM 926 N ARG A 98 -7.792 -12.652 9.653 1.00 43.90 N ATOM 927 CA ARG A 98 -9.007 -13.335 9.189 1.00 45.20 C ATOM 928 C ARG A 98 -8.993 -13.304 7.666 1.00 48.59 C ATOM 929 O ARG A 98 -8.119 -12.658 7.093 1.00 47.12 O ATOM 930 CB ARG A 98 -10.263 -12.624 9.725 1.00 47.26 C ATOM 931 CG ARG A 98 -10.413 -12.694 11.241 1.00 60.24 C ATOM 932 CD ARG A 98 -11.810 -12.306 11.673 1.00 76.67 C ATOM 933 NE ARG A 98 -11.885 -10.900 12.061 1.00 82.93 N ATOM 934 CZ ARG A 98 -11.810 -10.465 13.314 1.00 93.79 C ATOM 935 NH1 ARG A 98 -11.666 -11.326 14.316 1.00 81.37 N ATOM 936 NH2 ARG A 98 -11.887 -9.168 13.577 1.00 76.47 N ATOM 937 HE ARG A 98 -12.005 -10.193 11.307 1.00 0.00 H ATOM 938 HH12 ARG A 98 -11.608 -10.980 15.295 1.00 0.00 H ATOM 939 HH11 ARG A 98 -11.611 -12.346 14.121 1.00 0.00 H ATOM 940 HH22 ARG A 98 -11.828 -8.832 14.560 1.00 0.00 H ATOM 941 HH21 ARG A 98 -12.007 -8.486 12.801 1.00 0.00 H ATOM 942 H ARG A 98 -7.554 -11.733 9.228 1.00 0.00 H ATOM 943 N GLU A 99 -9.933 -13.999 6.995 1.00 48.76 N ATOM 944 CA GLU A 99 -9.971 -13.957 5.523 1.00 50.13 C ATOM 945 C GLU A 99 -10.435 -12.583 5.018 1.00 51.09 C ATOM 946 O GLU A 99 -9.948 -12.099 3.998 1.00 50.72 O ATOM 947 CB GLU A 99 -10.852 -15.080 4.953 1.00 54.48 C ATOM 948 CG GLU A 99 -10.061 -16.310 4.540 1.00 69.39 C ATOM 949 CD GLU A 99 -9.110 -16.099 3.376 1.00 97.00 C ATOM 950 OE1 GLU A 99 -7.886 -16.006 3.621 1.00 97.55 O ATOM 951 OE2 GLU A 99 -9.589 -16.004 2.223 1.00 95.96 O ATOM 952 H GLU A 99 -10.632 -14.565 7.517 1.00 0.00 H ATOM 953 N GLY A 100 -11.347 -11.967 5.766 1.00 47.77 N ATOM 954 CA GLY A 100 -11.901 -10.653 5.468 1.00 48.15 C ATOM 955 C GLY A 100 -10.971 -9.477 5.707 1.00 50.51 C ATOM 956 O GLY A 100 -11.280 -8.369 5.263 1.00 50.47 O ATOM 957 H GLY A 100 -11.686 -12.456 6.619 1.00 0.00 H ATOM 958 N ASN A 101 -9.830 -9.691 6.398 1.00 45.36 N ATOM 959 CA ASN A 101 -8.887 -8.604 6.720 1.00 42.44 C ATOM 960 C ASN A 101 -7.437 -8.859 6.250 1.00 43.17 C ATOM 961 O ASN A 101 -6.629 -7.929 6.289 1.00 38.86 O ATOM 962 CB ASN A 101 -8.933 -8.274 8.251 1.00 39.93 C ATOM 963 CG ASN A 101 -8.242 -9.235 9.211 1.00 46.89 C ATOM 964 OD1 ASN A 101 -7.316 -9.971 8.861 1.00 38.51 O ATOM 965 ND2 ASN A 101 -8.623 -9.195 10.492 1.00 39.81 N ATOM 966 HD22 ASN A 101 -9.404 -8.573 10.783 1.00 0.00 H ATOM 967 HD21 ASN A 101 -8.138 -9.786 11.197 1.00 0.00 H ATOM 968 H ASN A 101 -9.609 -10.657 6.714 1.00 0.00 H ATOM 969 N ILE A 102 -7.109 -10.096 5.813 1.00 39.89 N ATOM 970 CA ILE A 102 -5.738 -10.507 5.486 1.00 39.40 C ATOM 971 C ILE A 102 -5.040 -9.569 4.500 1.00 40.37 C ATOM 972 O ILE A 102 -3.877 -9.228 4.738 1.00 36.84 O ATOM 973 CB ILE A 102 -5.593 -11.997 5.075 1.00 45.24 C ATOM 974 CG1 ILE A 102 -4.125 -12.384 4.720 1.00 46.05 C ATOM 975 CG2 ILE A 102 -6.562 -12.399 3.972 1.00 47.08 C ATOM 976 CD1 ILE A 102 -3.147 -12.442 5.926 1.00 48.53 C ATOM 977 H ILE A 102 -7.871 -10.795 5.702 1.00 0.00 H ATOM 978 N MET A 103 -5.729 -9.159 3.425 1.00 37.80 N ATOM 979 CA MET A 103 -5.119 -8.296 2.436 1.00 37.29 C ATOM 980 C MET A 103 -4.806 -6.917 2.980 1.00 38.21 C ATOM 981 O MET A 103 -3.664 -6.439 2.827 1.00 36.02 O ATOM 982 CB MET A 103 -5.940 -8.250 1.148 1.00 40.91 C ATOM 983 CG MET A 103 -6.108 -9.616 0.485 1.00 45.86 C ATOM 984 SD MET A 103 -4.699 -10.779 0.435 1.00 48.52 S ATOM 985 CE MET A 103 -3.292 -9.655 0.158 1.00 45.09 C ATOM 986 H MET A 103 -6.715 -9.465 3.300 1.00 0.00 H ATOM 987 N ALA A 104 -5.768 -6.301 3.696 1.00 36.69 N ATOM 988 CA ALA A 104 -5.531 -4.992 4.315 1.00 35.27 C ATOM 989 C ALA A 104 -4.413 -5.063 5.370 1.00 35.60 C ATOM 990 O ALA A 104 -3.575 -4.168 5.405 1.00 33.70 O ATOM 991 CB ALA A 104 -6.805 -4.443 4.930 1.00 36.39 C ATOM 992 H ALA A 104 -6.693 -6.761 3.811 1.00 0.00 H ATOM 993 N VAL A 105 -4.360 -6.140 6.196 1.00 32.81 N ATOM 994 CA VAL A 105 -3.308 -6.282 7.221 1.00 29.24 C ATOM 995 C VAL A 105 -1.906 -6.486 6.602 1.00 30.86 C ATOM 996 O VAL A 105 -0.934 -5.870 7.019 1.00 27.59 O ATOM 997 CB VAL A 105 -3.643 -7.419 8.218 1.00 33.90 C ATOM 998 CG1 VAL A 105 -2.515 -7.587 9.237 1.00 33.15 C ATOM 999 CG2 VAL A 105 -4.965 -7.149 8.942 1.00 34.05 C ATOM 1000 H VAL A 105 -5.080 -6.885 6.104 1.00 0.00 H ATOM 1001 N MET A 106 -1.796 -7.368 5.601 1.00 30.41 N ATOM 1002 CA MET A 106 -0.510 -7.614 4.950 1.00 30.65 C ATOM 1003 C MET A 106 0.039 -6.312 4.302 1.00 30.92 C ATOM 1004 O MET A 106 1.223 -5.998 4.462 1.00 28.34 O ATOM 1005 CB MET A 106 -0.673 -8.715 3.891 1.00 35.48 C ATOM 1006 CG MET A 106 0.612 -9.101 3.215 1.00 39.74 C ATOM 1007 SD MET A 106 0.486 -10.683 2.379 1.00 46.71 S ATOM 1008 CE MET A 106 2.089 -11.193 2.511 1.00 42.84 C ATOM 1009 H MET A 106 -2.639 -7.887 5.281 1.00 0.00 H ATOM 1010 N ALA A 107 -0.805 -5.599 3.527 1.00 29.95 N ATOM 1011 CA ALA A 107 -0.373 -4.374 2.851 1.00 29.14 C ATOM 1012 C ALA A 107 0.008 -3.318 3.866 1.00 29.82 C ATOM 1013 O ALA A 107 0.998 -2.608 3.656 1.00 28.05 O ATOM 1014 CB ALA A 107 -1.456 -3.856 1.921 1.00 30.60 C ATOM 1015 H ALA A 107 -1.785 -5.927 3.407 1.00 0.00 H ATOM 1016 N THR A 108 -0.681 -3.285 5.026 1.00 28.20 N ATOM 1017 CA THR A 108 -0.322 -2.300 6.056 1.00 24.45 C ATOM 1018 C THR A 108 1.007 -2.713 6.715 1.00 26.38 C ATOM 1019 O THR A 108 1.838 -1.841 6.968 1.00 24.82 O ATOM 1020 CB THR A 108 -1.504 -2.074 7.031 1.00 28.20 C ATOM 1021 OG1 THR A 108 -2.728 -1.859 6.321 1.00 28.10 O ATOM 1022 CG2 THR A 108 -1.263 -0.943 8.048 1.00 24.94 C ATOM 1023 HG1 THR A 108 -2.927 -2.651 5.761 1.00 0.00 H ATOM 1024 H THR A 108 -1.461 -3.953 5.190 1.00 0.00 H ATOM 1025 N ALA A 109 1.235 -4.058 6.963 1.00 24.12 N ATOM 1026 CA ALA A 109 2.500 -4.481 7.580 1.00 23.35 C ATOM 1027 C ALA A 109 3.708 -4.226 6.670 1.00 25.49 C ATOM 1028 O ALA A 109 4.817 -4.019 7.171 1.00 24.66 O ATOM 1029 CB ALA A 109 2.419 -5.958 7.966 1.00 25.79 C ATOM 1030 H ALA A 109 0.514 -4.765 6.713 1.00 0.00 H ATOM 1031 N MET A 110 3.522 -4.305 5.332 1.00 24.37 N ATOM 1032 CA MET A 110 4.629 -3.994 4.435 1.00 24.29 C ATOM 1033 C MET A 110 4.963 -2.498 4.586 1.00 26.51 C ATOM 1034 O MET A 110 6.139 -2.115 4.673 1.00 24.09 O ATOM 1035 CB MET A 110 4.182 -4.226 3.010 1.00 26.62 C ATOM 1036 CG MET A 110 4.030 -5.694 2.656 1.00 29.60 C ATOM 1037 SD MET A 110 3.338 -5.963 1.002 1.00 34.15 S ATOM 1038 CE MET A 110 4.542 -5.119 0.048 1.00 33.15 C ATOM 1039 H MET A 110 2.598 -4.585 4.947 1.00 0.00 H ATOM 1040 N TYR A 111 3.904 -1.654 4.602 1.00 22.79 N ATOM 1041 CA TYR A 111 4.081 -0.200 4.731 1.00 22.20 C ATOM 1042 C TYR A 111 4.772 0.143 6.075 1.00 23.24 C ATOM 1043 O TYR A 111 5.690 0.974 6.122 1.00 21.91 O ATOM 1044 CB TYR A 111 2.723 0.526 4.621 1.00 24.74 C ATOM 1045 CG TYR A 111 2.750 2.008 4.959 1.00 23.33 C ATOM 1046 CD1 TYR A 111 3.394 2.922 4.134 1.00 24.31 C ATOM 1047 CD2 TYR A 111 2.158 2.490 6.123 1.00 22.58 C ATOM 1048 CE1 TYR A 111 3.435 4.280 4.454 1.00 25.11 C ATOM 1049 CE2 TYR A 111 2.137 3.849 6.418 1.00 22.38 C ATOM 1050 CZ TYR A 111 2.812 4.733 5.604 1.00 25.31 C ATOM 1051 OH TYR A 111 2.786 6.074 5.882 1.00 25.11 O ATOM 1052 HH TYR A 111 3.318 6.561 5.203 1.00 0.00 H ATOM 1053 H TYR A 111 2.943 -2.043 4.521 1.00 0.00 H ATOM 1054 N LEU A 112 4.344 -0.525 7.149 1.00 20.41 N ATOM 1055 CA LEU A 112 4.948 -0.320 8.451 1.00 20.53 C ATOM 1056 C LEU A 112 6.318 -0.997 8.590 1.00 23.48 C ATOM 1057 O LEU A 112 6.992 -0.812 9.608 1.00 21.81 O ATOM 1058 CB LEU A 112 3.964 -0.759 9.549 1.00 20.83 C ATOM 1059 CG LEU A 112 2.674 0.090 9.728 1.00 23.55 C ATOM 1060 CD1 LEU A 112 1.848 -0.430 10.904 1.00 22.53 C ATOM 1061 CD2 LEU A 112 2.980 1.587 9.927 1.00 22.50 C ATOM 1062 H LEU A 112 3.563 -1.205 7.050 1.00 0.00 H ATOM 1063 N GLN A 113 6.731 -1.822 7.597 1.00 22.32 N ATOM 1064 CA GLN A 113 8.028 -2.512 7.645 1.00 22.82 C ATOM 1065 C GLN A 113 8.098 -3.396 8.865 1.00 25.62 C ATOM 1066 O GLN A 113 8.982 -3.278 9.724 1.00 23.00 O ATOM 1067 CB GLN A 113 9.236 -1.569 7.534 1.00 23.89 C ATOM 1068 CG GLN A 113 9.156 -0.666 6.319 1.00 24.83 C ATOM 1069 CD GLN A 113 10.101 0.525 6.345 1.00 26.42 C ATOM 1070 OE1 GLN A 113 9.798 1.615 5.824 1.00 30.60 O ATOM 1071 NE2 GLN A 113 11.265 0.339 6.931 1.00 27.78 N ATOM 1072 HE22 GLN A 113 11.491 -0.582 7.358 1.00 0.00 H ATOM 1073 HE21 GLN A 113 11.959 1.113 6.967 1.00 0.00 H ATOM 1074 H GLN A 113 6.111 -1.971 6.776 1.00 0.00 H ATOM 1075 N MET A 114 7.103 -4.293 8.951 1.00 24.66 N ATOM 1076 CA MET A 114 6.983 -5.254 10.050 1.00 24.96 C ATOM 1077 C MET A 114 7.174 -6.620 9.403 1.00 33.20 C ATOM 1078 O MET A 114 6.194 -7.297 9.066 1.00 31.31 O ATOM 1079 CB MET A 114 5.625 -5.118 10.740 1.00 25.20 C ATOM 1080 CG MET A 114 5.529 -3.862 11.573 1.00 23.80 C ATOM 1081 SD MET A 114 3.863 -3.496 12.126 1.00 23.90 S ATOM 1082 CE MET A 114 3.748 -4.630 13.580 1.00 23.35 C ATOM 1083 H MET A 114 6.383 -4.306 8.201 1.00 0.00 H ATOM 1084 N GLU A 115 8.454 -6.948 9.092 1.00 33.87 N ATOM 1085 CA GLU A 115 8.894 -8.143 8.354 1.00 35.25 C ATOM 1086 C GLU A 115 8.329 -9.448 8.892 1.00 39.41 C ATOM 1087 O GLU A 115 7.826 -10.236 8.096 1.00 38.42 O ATOM 1088 CB GLU A 115 10.434 -8.208 8.254 1.00 37.28 C ATOM 1089 CG GLU A 115 10.976 -9.209 7.233 1.00 54.16 C ATOM 1090 CD GLU A 115 10.573 -9.029 5.779 1.00 85.18 C ATOM 1091 OE1 GLU A 115 10.634 -7.883 5.276 1.00 90.81 O ATOM 1092 OE2 GLU A 115 10.236 -10.046 5.130 1.00 79.24 O ATOM 1093 H GLU A 115 9.196 -6.291 9.406 1.00 0.00 H ATOM 1094 N HIS A 116 8.398 -9.677 10.216 1.00 38.07 N ATOM 1095 CA HIS A 116 7.879 -10.902 10.842 1.00 39.32 C ATOM 1096 C HIS A 116 6.384 -11.106 10.543 1.00 39.04 C ATOM 1097 O HIS A 116 5.979 -12.225 10.244 1.00 38.38 O ATOM 1098 CB HIS A 116 8.093 -10.882 12.363 1.00 41.51 C ATOM 1099 CG HIS A 116 9.511 -11.060 12.808 1.00 47.14 C ATOM 1100 ND1 HIS A 116 10.006 -12.307 13.155 1.00 51.43 N ATOM 1101 CD2 HIS A 116 10.475 -10.132 13.022 1.00 49.61 C ATOM 1102 CE1 HIS A 116 11.258 -12.104 13.535 1.00 51.40 C ATOM 1103 NE2 HIS A 116 11.586 -10.812 13.473 1.00 50.42 N ATOM 1104 H HIS A 116 8.838 -8.956 10.823 1.00 0.00 H ATOM 1105 N VAL A 117 5.573 -10.029 10.637 1.00 32.01 N ATOM 1106 CA VAL A 117 4.126 -10.017 10.381 1.00 30.06 C ATOM 1107 C VAL A 117 3.871 -10.260 8.902 1.00 33.46 C ATOM 1108 O VAL A 117 3.001 -11.066 8.575 1.00 34.07 O ATOM 1109 CB VAL A 117 3.424 -8.723 10.896 1.00 31.31 C ATOM 1110 CG1 VAL A 117 1.981 -8.638 10.399 1.00 31.37 C ATOM 1111 CG2 VAL A 117 3.473 -8.653 12.420 1.00 29.69 C ATOM 1112 H VAL A 117 6.012 -9.128 10.915 1.00 0.00 H ATOM 1113 N VAL A 118 4.639 -9.611 8.019 1.00 30.30 N ATOM 1114 CA VAL A 118 4.502 -9.831 6.572 1.00 30.42 C ATOM 1115 C VAL A 118 4.716 -11.319 6.221 1.00 35.06 C ATOM 1116 O VAL A 118 3.880 -11.913 5.524 1.00 34.41 O ATOM 1117 CB VAL A 118 5.437 -8.901 5.748 1.00 33.55 C ATOM 1118 CG1 VAL A 118 5.463 -9.287 4.266 1.00 34.29 C ATOM 1119 CG2 VAL A 118 5.023 -7.446 5.901 1.00 32.17 C ATOM 1120 H VAL A 118 5.350 -8.935 8.365 1.00 0.00 H ATOM 1121 N ASP A 119 5.799 -11.925 6.773 1.00 34.45 N ATOM 1122 CA ASP A 119 6.121 -13.342 6.550 1.00 36.66 C ATOM 1123 C ASP A 119 4.993 -14.227 7.080 1.00 38.03 C ATOM 1124 O ASP A 119 4.673 -15.238 6.442 1.00 37.90 O ATOM 1125 CB ASP A 119 7.459 -13.732 7.207 1.00 39.63 C ATOM 1126 CG ASP A 119 8.684 -13.007 6.672 1.00 58.86 C ATOM 1127 OD1 ASP A 119 8.819 -12.895 5.429 1.00 61.69 O ATOM 1128 OD2 ASP A 119 9.538 -12.601 7.492 1.00 68.97 O ATOM 1129 H ASP A 119 6.428 -11.362 7.380 1.00 0.00 H ATOM 1130 N THR A 120 4.398 -13.864 8.245 1.00 36.04 N ATOM 1131 CA THR A 120 3.285 -14.620 8.834 1.00 34.59 C ATOM 1132 C THR A 120 2.027 -14.500 7.965 1.00 39.74 C ATOM 1133 O THR A 120 1.359 -15.514 7.739 1.00 41.18 O ATOM 1134 CB THR A 120 3.096 -14.213 10.317 1.00 38.43 C ATOM 1135 OG1 THR A 120 4.295 -14.542 11.023 1.00 38.54 O ATOM 1136 CG2 THR A 120 1.893 -14.896 10.983 1.00 33.14 C ATOM 1137 HG1 THR A 120 5.056 -14.048 10.627 1.00 0.00 H ATOM 1138 H THR A 120 4.744 -13.017 8.740 1.00 0.00 H ATOM 1139 N CYS A 121 1.778 -13.303 7.370 1.00 37.23 N ATOM 1140 CA CYS A 121 0.651 -13.115 6.451 1.00 36.64 C ATOM 1141 C CYS A 121 0.828 -14.029 5.246 1.00 41.02 C ATOM 1142 O CYS A 121 -0.149 -14.642 4.830 1.00 41.26 O ATOM 1143 CB CYS A 121 0.511 -11.659 6.018 1.00 35.55 C ATOM 1144 SG CYS A 121 -0.097 -10.554 7.322 1.00 37.75 S ATOM 1145 H CYS A 121 2.405 -12.498 7.572 1.00 0.00 H ATOM 1146 N ARG A 122 2.084 -14.153 4.727 1.00 38.76 N ATOM 1147 CA ARG A 122 2.449 -15.015 3.582 1.00 39.65 C ATOM 1148 C ARG A 122 2.085 -16.479 3.926 1.00 43.97 C ATOM 1149 O ARG A 122 1.545 -17.203 3.089 1.00 45.76 O ATOM 1150 CB ARG A 122 3.957 -14.892 3.259 1.00 40.57 C ATOM 1151 CG ARG A 122 4.385 -13.563 2.618 1.00 43.52 C ATOM 1152 CD ARG A 122 5.854 -13.513 2.231 1.00 44.05 C ATOM 1153 NE ARG A 122 6.105 -14.314 1.030 1.00 57.11 N ATOM 1154 CZ ARG A 122 7.060 -14.064 0.139 1.00 68.69 C ATOM 1155 NH1 ARG A 122 7.876 -13.029 0.300 1.00 52.72 N ATOM 1156 NH2 ARG A 122 7.204 -14.845 -0.923 1.00 58.46 N ATOM 1157 HE ARG A 122 5.492 -15.137 0.862 1.00 0.00 H ATOM 1158 HH12 ARG A 122 8.621 -12.840 -0.401 1.00 0.00 H ATOM 1159 HH11 ARG A 122 7.771 -12.407 1.127 1.00 0.00 H ATOM 1160 HH22 ARG A 122 7.952 -14.646 -1.617 1.00 0.00 H ATOM 1161 HH21 ARG A 122 6.569 -15.657 -1.062 1.00 0.00 H ATOM 1162 H ARG A 122 2.843 -13.598 5.171 1.00 0.00 H ATOM 1163 N LYS A 123 2.332 -16.884 5.190 1.00 41.15 N ATOM 1164 CA LYS A 123 1.976 -18.223 5.683 1.00 42.93 C ATOM 1165 C LYS A 123 0.441 -18.393 5.751 1.00 46.77 C ATOM 1166 O LYS A 123 -0.058 -19.452 5.380 1.00 43.91 O ATOM 1167 CB LYS A 123 2.647 -18.541 7.036 1.00 45.23 C ATOM 1168 CG LYS A 123 4.175 -18.556 6.971 1.00 51.07 C ATOM 1169 CD LYS A 123 4.829 -19.012 8.252 1.00 62.71 C ATOM 1170 CE LYS A 123 6.324 -19.118 8.077 1.00 78.24 C ATOM 1171 NZ LYS A 123 6.961 -19.859 9.197 1.00 91.08 N ATOM 1172 HZ1 LYS A 123 6.771 -19.363 10.091 1.00 0.00 H ATOM 1173 HZ2 LYS A 123 6.568 -20.821 9.242 1.00 0.00 H ATOM 1174 HZ3 LYS A 123 7.988 -19.909 9.038 1.00 0.00 H ATOM 1175 H LYS A 123 2.794 -16.220 5.844 1.00 0.00 H ATOM 1176 N PHE A 124 -0.306 -17.331 6.137 1.00 44.95 N ATOM 1177 CA PHE A 124 -1.775 -17.360 6.226 1.00 46.38 C ATOM 1178 C PHE A 124 -2.436 -17.565 4.862 1.00 53.61 C ATOM 1179 O PHE A 124 -3.275 -18.456 4.731 1.00 56.38 O ATOM 1180 CB PHE A 124 -2.323 -16.109 6.938 1.00 46.71 C ATOM 1181 CG PHE A 124 -3.786 -16.175 7.298 1.00 49.17 C ATOM 1182 CD1 PHE A 124 -4.758 -15.687 6.431 1.00 54.06 C ATOM 1183 CD2 PHE A 124 -4.195 -16.710 8.515 1.00 51.78 C ATOM 1184 CE1 PHE A 124 -6.114 -15.765 6.759 1.00 56.49 C ATOM 1185 CE2 PHE A 124 -5.546 -16.759 8.852 1.00 55.83 C ATOM 1186 CZ PHE A 124 -6.497 -16.288 7.975 1.00 55.57 C ATOM 1187 H PHE A 124 0.185 -16.448 6.384 1.00 0.00 H ATOM 1188 N ILE A 125 -2.056 -16.760 3.856 1.00 48.04 N ATOM 1189 CA ILE A 125 -2.582 -16.892 2.487 1.00 48.91 C ATOM 1190 C ILE A 125 -2.335 -18.325 1.948 1.00 55.37 C ATOM 1191 O ILE A 125 -3.238 -18.931 1.356 1.00 57.23 O ATOM 1192 CB ILE A 125 -2.050 -15.753 1.552 1.00 49.74 C ATOM 1193 CG1 ILE A 125 -2.805 -14.444 1.848 1.00 48.51 C ATOM 1194 CG2 ILE A 125 -2.183 -16.134 0.046 1.00 52.99 C ATOM 1195 CD1 ILE A 125 -2.022 -13.160 1.618 1.00 55.69 C ATOM 1196 H ILE A 125 -1.361 -16.012 4.052 1.00 0.00 H ATOM 1197 N LYS A 126 -1.138 -18.879 2.235 1.00 51.78 N ATOM 1198 CA LYS A 126 -0.687 -20.216 1.831 1.00 53.72 C ATOM 1199 C LYS A 126 -1.521 -21.340 2.471 1.00 59.42 C ATOM 1200 O LYS A 126 -1.748 -22.374 1.835 1.00 61.00 O ATOM 1201 CB LYS A 126 0.800 -20.366 2.206 1.00 55.95 C ATOM 1202 CG LYS A 126 1.511 -21.584 1.640 1.00 63.13 C ATOM 1203 CD LYS A 126 3.006 -21.447 1.863 1.00 70.56 C ATOM 1204 CE LYS A 126 3.791 -22.516 1.148 1.00 80.66 C ATOM 1205 NZ LYS A 126 5.254 -22.278 1.260 1.00 87.62 N ATOM 1206 HZ1 LYS A 126 5.487 -21.357 0.837 1.00 0.00 H ATOM 1207 HZ2 LYS A 126 5.529 -22.280 2.263 1.00 0.00 H ATOM 1208 HZ3 LYS A 126 5.766 -23.031 0.758 1.00 0.00 H ATOM 1209 H LYS A 126 -0.474 -18.306 2.794 1.00 0.00 H ATOM 1210 N ALA A 127 -1.957 -21.151 3.736 1.00 55.28 N ATOM 1211 CA ALA A 127 -2.748 -22.166 4.434 1.00 56.77 C ATOM 1212 C ALA A 127 -4.237 -22.156 4.075 1.00 64.07 C ATOM 1213 O ALA A 127 -4.891 -23.197 4.167 1.00 67.89 O ATOM 1214 CB ALA A 127 -2.568 -22.024 5.932 1.00 55.86 C ATOM 1215 H ALA A 127 -1.725 -20.263 4.225 1.00 0.00 H ATOM 1216 N SER A 128 -4.771 -20.993 3.689 1.00 59.86 N ATOM 1217 CA SER A 128 -6.169 -20.801 3.299 1.00 91.70 C ATOM 1218 C SER A 128 -6.427 -21.415 1.925 1.00123.98 C ATOM 1219 O SER A 128 -7.528 -21.891 1.663 1.00 90.87 O ATOM 1220 CB SER A 128 -6.513 -19.314 3.279 1.00 93.10 C ATOM 1221 OG SER A 128 -7.882 -19.094 2.978 1.00102.66 O ATOM 1222 HG SER A 128 -8.066 -18.121 2.974 1.00 0.00 H ATOM 1223 H SER A 128 -4.146 -20.162 3.664 1.00 0.00 H TER 1224 SER A 128 ATOM 1225 N ASP B 6 -5.810 -15.532 23.512 1.00 53.19 N ATOM 1226 CA ASP B 6 -7.164 -15.629 22.966 1.00 54.05 C ATOM 1227 C ASP B 6 -7.200 -16.536 21.716 1.00 57.13 C ATOM 1228 O ASP B 6 -6.623 -17.627 21.753 1.00 57.84 O ATOM 1229 CB ASP B 6 -7.750 -14.219 22.697 1.00 54.90 C ATOM 1230 CG ASP B 6 -6.843 -13.258 21.945 1.00 64.19 C ATOM 1231 OD1 ASP B 6 -5.944 -13.732 21.216 1.00 64.20 O ATOM 1232 OD2 ASP B 6 -7.051 -12.032 22.062 1.00 70.35 O ATOM 1233 HN3 ASP B 6 -5.175 -15.131 22.792 1.00 0.00 H ATOM 1234 HN2 ASP B 6 -5.477 -16.480 23.780 1.00 0.00 H ATOM 1235 HN1 ASP B 6 -5.819 -14.916 24.350 1.00 0.00 H ATOM 1236 N SER B 7 -7.881 -16.093 20.630 1.00 51.71 N ATOM 1237 CA SER B 7 -8.033 -16.818 19.364 1.00 51.09 C ATOM 1238 C SER B 7 -7.043 -16.369 18.289 1.00 49.19 C ATOM 1239 O SER B 7 -6.844 -17.067 17.298 1.00 46.40 O ATOM 1240 CB SER B 7 -9.460 -16.688 18.842 1.00 57.07 C ATOM 1241 OG SER B 7 -9.566 -17.186 17.518 1.00 67.95 O ATOM 1242 HG SER B 7 -8.963 -16.673 16.924 1.00 0.00 H ATOM 1243 H SER B 7 -8.334 -15.160 20.701 1.00 0.00 H ATOM 1244 N GLN B 8 -6.438 -15.204 18.486 1.00 42.37 N ATOM 1245 CA GLN B 8 -5.495 -14.599 17.556 1.00 39.32 C ATOM 1246 C GLN B 8 -4.164 -15.362 17.469 1.00 38.60 C ATOM 1247 O GLN B 8 -3.837 -16.152 18.360 1.00 37.49 O ATOM 1248 CB GLN B 8 -5.226 -13.147 17.974 1.00 38.63 C ATOM 1249 CG GLN B 8 -6.470 -12.253 18.057 1.00 41.92 C ATOM 1250 CD GLN B 8 -6.153 -10.793 18.343 1.00 44.28 C ATOM 1251 OE1 GLN B 8 -5.000 -10.360 18.395 1.00 35.87 O ATOM 1252 NE2 GLN B 8 -7.182 -9.983 18.485 1.00 42.26 N ATOM 1253 HE22 GLN B 8 -8.150 -10.360 18.439 1.00 0.00 H ATOM 1254 HE21 GLN B 8 -7.026 -8.967 18.643 1.00 0.00 H ATOM 1255 H GLN B 8 -6.652 -14.689 19.364 1.00 0.00 H ATOM 1256 N ILE B 9 -3.402 -15.144 16.368 1.00 31.76 N ATOM 1257 CA ILE B 9 -2.088 -15.745 16.224 1.00 30.87 C ATOM 1258 C ILE B 9 -1.177 -15.162 17.291 1.00 32.66 C ATOM 1259 O ILE B 9 -1.104 -13.928 17.481 1.00 28.74 O ATOM 1260 CB ILE B 9 -1.510 -15.550 14.792 1.00 33.30 C ATOM 1261 CG1 ILE B 9 -2.448 -16.184 13.754 1.00 34.20 C ATOM 1262 CG2 ILE B 9 -0.072 -16.117 14.668 1.00 33.27 C ATOM 1263 CD1 ILE B 9 -2.406 -15.618 12.399 1.00 38.09 C ATOM 1264 H ILE B 9 -3.767 -14.533 15.610 1.00 0.00 H ATOM 1265 N GLN B 10 -0.517 -16.034 18.030 1.00 30.10 N ATOM 1266 CA GLN B 10 0.406 -15.656 19.082 1.00 31.31 C ATOM 1267 C GLN B 10 1.829 -15.689 18.563 1.00 32.87 C ATOM 1268 O GLN B 10 2.238 -16.664 17.920 1.00 33.63 O ATOM 1269 CB GLN B 10 0.262 -16.603 20.275 1.00 34.90 C ATOM 1270 CG GLN B 10 -0.778 -16.160 21.275 1.00 49.31 C ATOM 1271 CD GLN B 10 -0.941 -17.187 22.366 1.00 61.48 C ATOM 1272 OE1 GLN B 10 -2.024 -17.740 22.570 1.00 58.69 O ATOM 1273 NE2 GLN B 10 0.141 -17.478 23.081 1.00 53.03 N ATOM 1274 HE22 GLN B 10 1.040 -16.994 22.884 1.00 0.00 H ATOM 1275 HE21 GLN B 10 0.089 -18.190 23.837 1.00 0.00 H ATOM 1276 H GLN B 10 -0.667 -17.047 17.848 1.00 0.00 H ATOM 1277 N PHE B 11 2.542 -14.569 18.734 1.00 26.41 N ATOM 1278 CA PHE B 11 3.946 -14.467 18.397 1.00 24.47 C ATOM 1279 C PHE B 11 4.692 -14.633 19.726 1.00 30.20 C ATOM 1280 O PHE B 11 4.699 -13.725 20.573 1.00 28.83 O ATOM 1281 CB PHE B 11 4.236 -13.151 17.694 1.00 24.23 C ATOM 1282 CG PHE B 11 3.796 -13.054 16.261 1.00 24.48 C ATOM 1283 CD1 PHE B 11 2.447 -13.127 15.923 1.00 25.69 C ATOM 1284 CD2 PHE B 11 4.710 -12.753 15.266 1.00 27.07 C ATOM 1285 CE1 PHE B 11 2.034 -12.984 14.585 1.00 26.16 C ATOM 1286 CE2 PHE B 11 4.302 -12.618 13.933 1.00 28.72 C ATOM 1287 CZ PHE B 11 2.965 -12.707 13.611 1.00 26.36 C ATOM 1288 H PHE B 11 2.065 -13.733 19.127 1.00 0.00 H ATOM 1289 N THR B 12 5.244 -15.848 19.943 1.00 30.02 N ATOM 1290 CA THR B 12 5.877 -16.181 21.221 1.00 30.29 C ATOM 1291 C THR B 12 7.154 -15.412 21.558 1.00 32.36 C ATOM 1292 O THR B 12 7.474 -15.303 22.743 1.00 33.66 O ATOM 1293 CB THR B 12 6.133 -17.694 21.351 1.00 36.34 C ATOM 1294 OG1 THR B 12 7.125 -18.099 20.412 1.00 39.97 O ATOM 1295 CG2 THR B 12 4.866 -18.523 21.191 1.00 43.34 C ATOM 1296 HG1 THR B 12 7.284 -19.072 20.501 1.00 0.00 H ATOM 1297 H THR B 12 5.219 -16.561 19.186 1.00 0.00 H ATOM 1298 N ARG B 13 7.856 -14.847 20.555 1.00 28.78 N ATOM 1299 CA ARG B 13 9.086 -14.103 20.837 1.00 28.83 C ATOM 1300 C ARG B 13 8.878 -12.585 20.776 1.00 29.59 C ATOM 1301 O ARG B 13 9.834 -11.838 20.996 1.00 28.49 O ATOM 1302 CB ARG B 13 10.201 -14.496 19.857 1.00 32.25 C ATOM 1303 CG ARG B 13 10.640 -15.963 19.973 1.00 39.37 C ATOM 1304 CD ARG B 13 11.652 -16.352 18.907 1.00 52.15 C ATOM 1305 NE ARG B 13 11.070 -16.365 17.562 1.00 66.73 N ATOM 1306 CZ ARG B 13 11.742 -16.666 16.455 1.00 87.60 C ATOM 1307 NH1 ARG B 13 13.030 -16.984 16.516 1.00 77.03 N ATOM 1308 NH2 ARG B 13 11.132 -16.650 15.278 1.00 78.71 N ATOM 1309 HE ARG B 13 10.063 -16.122 17.467 1.00 0.00 H ATOM 1310 HH12 ARG B 13 13.550 -17.218 15.646 1.00 0.00 H ATOM 1311 HH11 ARG B 13 13.519 -16.999 17.434 1.00 0.00 H ATOM 1312 HH22 ARG B 13 11.662 -16.886 14.415 1.00 0.00 H ATOM 1313 HH21 ARG B 13 10.124 -16.401 15.218 1.00 0.00 H ATOM 1314 H ARG B 13 7.522 -14.940 19.575 1.00 0.00 H ATOM 1315 N HIS B 14 7.667 -12.124 20.418 1.00 24.77 N ATOM 1316 CA HIS B 14 7.419 -10.683 20.253 1.00 21.67 C ATOM 1317 C HIS B 14 7.710 -9.871 21.500 1.00 24.48 C ATOM 1318 O HIS B 14 8.410 -8.870 21.392 1.00 22.12 O ATOM 1319 CB HIS B 14 5.994 -10.442 19.745 1.00 22.37 C ATOM 1320 CG HIS B 14 5.672 -8.996 19.558 1.00 21.63 C ATOM 1321 ND1 HIS B 14 6.102 -8.299 18.439 1.00 21.76 N ATOM 1322 CD2 HIS B 14 4.953 -8.166 20.347 1.00 22.26 C ATOM 1323 CE1 HIS B 14 5.667 -7.052 18.602 1.00 20.87 C ATOM 1324 NE2 HIS B 14 4.975 -6.919 19.732 1.00 20.38 N ATOM 1325 H HIS B 14 6.892 -12.798 20.255 1.00 0.00 H ATOM 1326 N ALA B 15 7.208 -10.285 22.657 1.00 22.07 N ATOM 1327 CA ALA B 15 7.443 -9.451 23.851 1.00 22.22 C ATOM 1328 C ALA B 15 8.934 -9.301 24.191 1.00 24.37 C ATOM 1329 O ALA B 15 9.374 -8.218 24.535 1.00 22.76 O ATOM 1330 CB ALA B 15 6.673 -10.000 25.038 1.00 24.22 C ATOM 1331 H ALA B 15 6.666 -11.170 22.720 1.00 0.00 H ATOM 1332 N SER B 16 9.708 -10.394 24.086 1.00 23.58 N ATOM 1333 CA SER B 16 11.145 -10.371 24.358 1.00 22.85 C ATOM 1334 C SER B 16 11.865 -9.529 23.305 1.00 24.87 C ATOM 1335 O SER B 16 12.793 -8.808 23.643 1.00 22.84 O ATOM 1336 CB SER B 16 11.704 -11.786 24.363 1.00 26.61 C ATOM 1337 OG SER B 16 11.546 -12.336 23.069 1.00 32.83 O ATOM 1338 HG SER B 16 10.584 -12.353 22.834 1.00 0.00 H ATOM 1339 H SER B 16 9.268 -11.292 23.800 1.00 0.00 H ATOM 1340 N ASP B 17 11.409 -9.573 22.043 1.00 22.60 N ATOM 1341 CA ASP B 17 12.017 -8.779 20.980 1.00 21.58 C ATOM 1342 C ASP B 17 11.767 -7.281 21.216 1.00 23.79 C ATOM 1343 O ASP B 17 12.697 -6.483 21.072 1.00 22.16 O ATOM 1344 CB ASP B 17 11.497 -9.204 19.602 1.00 23.49 C ATOM 1345 CG ASP B 17 12.051 -10.525 19.114 1.00 31.74 C ATOM 1346 OD1 ASP B 17 13.065 -10.991 19.677 1.00 30.66 O ATOM 1347 OD2 ASP B 17 11.504 -11.064 18.131 1.00 33.70 O ATOM 1348 H ASP B 17 10.602 -10.189 21.817 1.00 0.00 H ATOM 1349 N VAL B 18 10.528 -6.915 21.643 1.00 19.67 N ATOM 1350 CA VAL B 18 10.185 -5.533 21.992 1.00 17.42 C ATOM 1351 C VAL B 18 11.113 -5.099 23.146 1.00 19.32 C ATOM 1352 O VAL B 18 11.684 -3.999 23.121 1.00 17.81 O ATOM 1353 CB VAL B 18 8.693 -5.390 22.438 1.00 20.02 C ATOM 1354 CG1 VAL B 18 8.436 -4.032 23.111 1.00 18.55 C ATOM 1355 CG2 VAL B 18 7.755 -5.562 21.247 1.00 20.47 C ATOM 1356 H VAL B 18 9.793 -7.646 21.725 1.00 0.00 H ATOM 1357 N LEU B 19 11.211 -5.924 24.201 1.00 18.53 N ATOM 1358 CA LEU B 19 12.021 -5.510 25.334 1.00 19.22 C ATOM 1359 C LEU B 19 13.492 -5.301 24.946 1.00 21.15 C ATOM 1360 O LEU B 19 14.094 -4.328 25.377 1.00 19.66 O ATOM 1361 CB LEU B 19 11.885 -6.534 26.467 1.00 20.97 C ATOM 1362 CG LEU B 19 12.353 -6.054 27.826 1.00 23.76 C ATOM 1363 CD1 LEU B 19 11.458 -4.949 28.395 1.00 24.36 C ATOM 1364 CD2 LEU B 19 12.390 -7.225 28.815 1.00 22.99 C ATOM 1365 H LEU B 19 10.718 -6.840 24.207 1.00 0.00 H ATOM 1366 N LEU B 20 14.023 -6.160 24.089 1.00 19.11 N ATOM 1367 CA LEU B 20 15.397 -6.023 23.630 1.00 20.56 C ATOM 1368 C LEU B 20 15.538 -4.701 22.903 1.00 21.11 C ATOM 1369 O LEU B 20 16.522 -4.003 23.101 1.00 19.33 O ATOM 1370 CB LEU B 20 15.789 -7.186 22.703 1.00 22.35 C ATOM 1371 CG LEU B 20 17.092 -7.056 21.900 1.00 29.04 C ATOM 1372 CD1 LEU B 20 18.318 -6.921 22.822 1.00 30.24 C ATOM 1373 CD2 LEU B 20 17.272 -8.258 20.947 1.00 30.71 C ATOM 1374 H LEU B 20 13.445 -6.950 23.736 1.00 0.00 H ATOM 1375 N ASN B 21 14.566 -4.365 22.048 1.00 18.55 N ATOM 1376 CA ASN B 21 14.636 -3.101 21.324 1.00 16.30 C ATOM 1377 C ASN B 21 14.509 -1.888 22.247 1.00 17.70 C ATOM 1378 O ASN B 21 15.126 -0.863 21.974 1.00 17.10 O ATOM 1379 CB ASN B 21 13.630 -3.058 20.192 1.00 16.59 C ATOM 1380 CG ASN B 21 14.047 -3.940 19.027 1.00 20.85 C ATOM 1381 OD1 ASN B 21 15.233 -4.265 18.853 1.00 22.18 O ATOM 1382 ND2 ASN B 21 13.102 -4.257 18.136 1.00 18.49 N ATOM 1383 HD22 ASN B 21 12.115 -3.975 18.302 1.00 0.00 H ATOM 1384 HD21 ASN B 21 13.354 -4.786 17.277 1.00 0.00 H ATOM 1385 H ASN B 21 13.760 -5.005 21.899 1.00 0.00 H ATOM 1386 N LEU B 22 13.707 -1.995 23.321 1.00 16.99 N ATOM 1387 CA LEU B 22 13.610 -0.909 24.300 1.00 15.96 C ATOM 1388 C LEU B 22 14.952 -0.753 25.023 1.00 16.30 C ATOM 1389 O LEU B 22 15.348 0.367 25.298 1.00 16.56 O ATOM 1390 CB LEU B 22 12.481 -1.190 25.296 1.00 16.07 C ATOM 1391 CG LEU B 22 11.041 -1.155 24.721 1.00 17.91 C ATOM 1392 CD1 LEU B 22 10.028 -1.559 25.796 1.00 19.41 C ATOM 1393 CD2 LEU B 22 10.681 0.192 24.121 1.00 18.28 C ATOM 1394 H LEU B 22 13.148 -2.861 23.459 1.00 0.00 H ATOM 1395 N ASN B 23 15.652 -1.837 25.328 1.00 18.23 N ATOM 1396 CA ASN B 23 16.969 -1.745 25.953 1.00 17.47 C ATOM 1397 C ASN B 23 17.973 -1.124 24.965 1.00 20.14 C ATOM 1398 O ASN B 23 18.784 -0.299 25.357 1.00 19.82 O ATOM 1399 CB ASN B 23 17.455 -3.107 26.430 1.00 18.32 C ATOM 1400 CG ASN B 23 18.504 -2.958 27.518 1.00 22.06 C ATOM 1401 OD1 ASN B 23 18.566 -1.948 28.224 1.00 20.85 O ATOM 1402 ND2 ASN B 23 19.309 -3.987 27.732 1.00 25.26 N ATOM 1403 HD22 ASN B 23 19.245 -4.832 27.129 1.00 0.00 H ATOM 1404 HD21 ASN B 23 20.005 -3.951 28.504 1.00 0.00 H ATOM 1405 H ASN B 23 15.254 -2.775 25.117 1.00 0.00 H ATOM 1406 N ARG B 24 17.858 -1.448 23.673 1.00 17.69 N ATOM 1407 CA ARG B 24 18.707 -0.831 22.660 1.00 18.47 C ATOM 1408 C ARG B 24 18.457 0.688 22.630 1.00 20.17 C ATOM 1409 O ARG B 24 19.418 1.446 22.563 1.00 19.22 O ATOM 1410 CB ARG B 24 18.440 -1.453 21.299 1.00 19.25 C ATOM 1411 CG ARG B 24 19.043 -2.860 21.143 1.00 22.00 C ATOM 1412 CD ARG B 24 18.492 -3.579 19.924 1.00 30.18 C ATOM 1413 NE ARG B 24 19.136 -3.160 18.686 1.00 33.34 N ATOM 1414 CZ ARG B 24 18.689 -3.462 17.467 1.00 50.72 C ATOM 1415 NH1 ARG B 24 17.579 -4.179 17.315 1.00 39.15 N ATOM 1416 NH2 ARG B 24 19.335 -3.032 16.393 1.00 35.76 N ATOM 1417 HE ARG B 24 20.001 -2.588 18.758 1.00 0.00 H ATOM 1418 HH12 ARG B 24 17.236 -4.411 16.361 1.00 0.00 H ATOM 1419 HH11 ARG B 24 17.054 -4.508 18.150 1.00 0.00 H ATOM 1420 HH22 ARG B 24 18.982 -3.270 15.444 1.00 0.00 H ATOM 1421 HH21 ARG B 24 20.195 -2.456 16.499 1.00 0.00 H ATOM 1422 H ARG B 24 17.150 -2.153 23.385 1.00 0.00 H ATOM 1423 N LEU B 25 17.193 1.150 22.739 1.00 16.33 N ATOM 1424 CA LEU B 25 16.929 2.590 22.756 1.00 16.48 C ATOM 1425 C LEU B 25 17.524 3.192 24.018 1.00 18.22 C ATOM 1426 O LEU B 25 18.067 4.305 23.952 1.00 18.36 O ATOM 1427 CB LEU B 25 15.418 2.865 22.737 1.00 16.73 C ATOM 1428 CG LEU B 25 14.671 2.434 21.489 1.00 19.39 C ATOM 1429 CD1 LEU B 25 13.181 2.663 21.644 1.00 20.31 C ATOM 1430 CD2 LEU B 25 15.253 3.075 20.210 1.00 20.68 C ATOM 1431 H LEU B 25 16.402 0.479 22.811 1.00 0.00 H ATOM 1432 N ARG B 26 17.414 2.504 25.176 1.00 16.72 N ATOM 1433 CA ARG B 26 17.989 3.069 26.388 1.00 16.11 C ATOM 1434 C ARG B 26 19.516 3.249 26.214 1.00 18.48 C ATOM 1435 O ARG B 26 20.035 4.317 26.579 1.00 19.44 O ATOM 1436 CB ARG B 26 17.702 2.152 27.593 1.00 19.00 C ATOM 1437 CG ARG B 26 18.306 2.715 28.895 1.00 20.75 C ATOM 1438 CD ARG B 26 17.932 1.944 30.147 1.00 23.62 C ATOM 1439 NE ARG B 26 18.347 0.542 30.123 1.00 23.75 N ATOM 1440 CZ ARG B 26 19.225 -0.011 30.964 1.00 25.77 C ATOM 1441 NH1 ARG B 26 19.847 0.734 31.875 1.00 30.42 N ATOM 1442 NH2 ARG B 26 19.506 -1.310 30.885 1.00 25.59 N ATOM 1443 HE ARG B 26 17.927 -0.071 29.396 1.00 0.00 H ATOM 1444 HH12 ARG B 26 20.529 0.297 32.527 1.00 0.00 H ATOM 1445 HH11 ARG B 26 19.651 1.753 31.935 1.00 0.00 H ATOM 1446 HH22 ARG B 26 20.191 -1.735 31.543 1.00 0.00 H ATOM 1447 HH21 ARG B 26 19.041 -1.900 30.166 1.00 0.00 H ATOM 1448 H ARG B 26 16.926 1.586 25.201 1.00 0.00 H ATOM 1449 N SER B 27 20.204 2.247 25.612 1.00 16.39 N ATOM 1450 CA SER B 27 21.654 2.282 25.423 1.00 16.77 C ATOM 1451 C SER B 27 22.083 3.433 24.536 1.00 20.73 C ATOM 1452 O SER B 27 23.250 3.813 24.556 1.00 21.25 O ATOM 1453 CB SER B 27 22.158 0.954 24.865 1.00 20.92 C ATOM 1454 OG SER B 27 21.801 0.752 23.508 1.00 24.14 O ATOM 1455 HG SER B 27 20.815 0.760 23.423 1.00 0.00 H ATOM 1456 H SER B 27 19.678 1.418 25.270 1.00 0.00 H ATOM 1457 N ARG B 28 21.155 3.944 23.740 1.00 18.46 N ATOM 1458 CA ARG B 28 21.433 5.040 22.822 1.00 20.10 C ATOM 1459 C ARG B 28 20.801 6.342 23.277 1.00 21.97 C ATOM 1460 O ARG B 28 20.902 7.353 22.575 1.00 21.03 O ATOM 1461 CB ARG B 28 20.958 4.650 21.425 1.00 20.69 C ATOM 1462 CG ARG B 28 21.713 3.442 20.842 1.00 21.90 C ATOM 1463 CD ARG B 28 21.243 3.105 19.446 1.00 22.55 C ATOM 1464 NE ARG B 28 21.471 4.199 18.503 1.00 21.99 N ATOM 1465 CZ ARG B 28 20.935 4.262 17.290 1.00 26.20 C ATOM 1466 NH1 ARG B 28 20.116 3.311 16.870 1.00 20.68 N ATOM 1467 NH2 ARG B 28 21.201 5.290 16.493 1.00 24.68 N ATOM 1468 HE ARG B 28 22.093 4.977 18.802 1.00 0.00 H ATOM 1469 HH12 ARG B 28 19.699 3.366 15.919 1.00 0.00 H ATOM 1470 HH11 ARG B 28 19.889 2.508 17.491 1.00 0.00 H ATOM 1471 HH22 ARG B 28 20.779 5.335 15.544 1.00 0.00 H ATOM 1472 HH21 ARG B 28 21.832 6.050 16.818 1.00 0.00 H ATOM 1473 H ARG B 28 20.194 3.548 23.772 1.00 0.00 H ATOM 1474 N ASP B 29 20.152 6.336 24.469 1.00 19.13 N ATOM 1475 CA ASP B 29 19.501 7.540 24.994 1.00 18.86 C ATOM 1476 C ASP B 29 18.389 8.046 24.049 1.00 20.64 C ATOM 1477 O ASP B 29 18.186 9.262 23.879 1.00 21.42 O ATOM 1478 CB ASP B 29 20.551 8.634 25.289 1.00 22.00 C ATOM 1479 CG ASP B 29 20.110 9.561 26.385 1.00 31.47 C ATOM 1480 OD1 ASP B 29 19.556 9.061 27.394 1.00 28.38 O ATOM 1481 OD2 ASP B 29 20.367 10.784 26.265 1.00 38.15 O ATOM 1482 H ASP B 29 20.116 5.457 25.023 1.00 0.00 H ATOM 1483 N ILE B 30 17.727 7.106 23.374 1.00 16.64 N ATOM 1484 CA ILE B 30 16.660 7.472 22.474 1.00 15.66 C ATOM 1485 C ILE B 30 15.329 7.451 23.171 1.00 16.41 C ATOM 1486 O ILE B 30 14.901 6.397 23.648 1.00 16.81 O ATOM 1487 CB ILE B 30 16.645 6.597 21.211 1.00 16.74 C ATOM 1488 CG1 ILE B 30 17.967 6.757 20.421 1.00 17.45 C ATOM 1489 CG2 ILE B 30 15.400 6.908 20.334 1.00 17.31 C ATOM 1490 CD1 ILE B 30 18.161 5.830 19.206 1.00 20.50 C ATOM 1491 H ILE B 30 17.981 6.105 23.497 1.00 0.00 H ATOM 1492 N LEU B 31 14.733 8.642 23.306 1.00 16.93 N ATOM 1493 CA LEU B 31 13.414 8.845 23.908 1.00 16.80 C ATOM 1494 C LEU B 31 13.406 8.567 25.404 1.00 17.44 C ATOM 1495 O LEU B 31 12.329 8.558 25.997 1.00 16.68 O ATOM 1496 CB LEU B 31 12.260 8.109 23.176 1.00 18.00 C ATOM 1497 CG LEU B 31 11.970 8.625 21.757 1.00 21.06 C ATOM 1498 CD1 LEU B 31 11.081 7.667 21.000 1.00 22.64 C ATOM 1499 CD2 LEU B 31 11.329 10.014 21.777 1.00 21.80 C ATOM 1500 H LEU B 31 15.242 9.480 22.960 1.00 0.00 H ATOM 1501 N THR B 32 14.599 8.454 26.029 1.00 14.89 N ATOM 1502 CA THR B 32 14.653 8.444 27.489 1.00 14.08 C ATOM 1503 C THR B 32 14.071 9.760 27.978 1.00 18.46 C ATOM 1504 O THR B 32 14.277 10.812 27.355 1.00 18.34 O ATOM 1505 CB THR B 32 16.052 8.196 27.988 1.00 18.04 C ATOM 1506 OG1 THR B 32 16.916 9.106 27.332 1.00 20.29 O ATOM 1507 CG2 THR B 32 16.515 6.770 27.723 1.00 18.37 C ATOM 1508 HG1 THR B 32 17.844 8.962 27.645 1.00 0.00 H ATOM 1509 H THR B 32 15.474 8.375 25.473 1.00 0.00 H ATOM 1510 N ASP B 33 13.323 9.701 29.082 1.00 15.35 N ATOM 1511 CA ASP B 33 12.629 10.893 29.559 1.00 14.02 C ATOM 1512 C ASP B 33 12.791 11.125 31.047 1.00 17.46 C ATOM 1513 O ASP B 33 12.086 11.970 31.608 1.00 17.82 O ATOM 1514 CB ASP B 33 11.131 10.826 29.216 1.00 15.52 C ATOM 1515 CG ASP B 33 10.454 9.535 29.661 1.00 19.25 C ATOM 1516 OD1 ASP B 33 11.120 8.708 30.316 1.00 19.33 O ATOM 1517 OD2 ASP B 33 9.226 9.416 29.480 1.00 22.16 O ATOM 1518 H ASP B 33 13.235 8.805 29.603 1.00 0.00 H ATOM 1519 N VAL B 34 13.734 10.427 31.702 1.00 15.10 N ATOM 1520 CA VAL B 34 13.940 10.659 33.128 1.00 15.11 C ATOM 1521 C VAL B 34 15.345 10.290 33.473 1.00 16.85 C ATOM 1522 O VAL B 34 15.893 9.330 32.878 1.00 17.66 O ATOM 1523 CB VAL B 34 12.890 9.895 34.011 1.00 17.55 C ATOM 1524 CG1 VAL B 34 13.086 8.369 34.006 1.00 16.56 C ATOM 1525 CG2 VAL B 34 12.845 10.429 35.443 1.00 17.64 C ATOM 1526 H VAL B 34 14.313 9.726 31.196 1.00 0.00 H ATOM 1527 N VAL B 35 15.890 10.991 34.476 1.00 16.94 N ATOM 1528 CA VAL B 35 17.162 10.618 35.057 1.00 15.73 C ATOM 1529 C VAL B 35 16.891 10.236 36.510 1.00 18.13 C ATOM 1530 O VAL B 35 16.199 10.950 37.249 1.00 17.20 O ATOM 1531 CB VAL B 35 18.330 11.604 34.828 1.00 19.07 C ATOM 1532 CG1 VAL B 35 18.078 12.968 35.465 1.00 19.56 C ATOM 1533 CG2 VAL B 35 19.665 11.010 35.276 1.00 18.90 C ATOM 1534 H VAL B 35 15.387 11.823 34.846 1.00 0.00 H ATOM 1535 N ILE B 36 17.360 9.062 36.882 1.00 17.25 N ATOM 1536 CA ILE B 36 17.172 8.573 38.251 1.00 16.40 C ATOM 1537 C ILE B 36 18.506 8.815 38.953 1.00 20.16 C ATOM 1538 O ILE B 36 19.539 8.316 38.478 1.00 20.07 O ATOM 1539 CB ILE B 36 16.780 7.069 38.274 1.00 19.47 C ATOM 1540 CG1 ILE B 36 15.560 6.768 37.385 1.00 19.03 C ATOM 1541 CG2 ILE B 36 16.530 6.598 39.715 1.00 20.70 C ATOM 1542 CD1 ILE B 36 14.202 7.534 37.773 1.00 22.04 C ATOM 1543 H ILE B 36 17.871 8.473 36.194 1.00 0.00 H ATOM 1544 N VAL B 37 18.490 9.596 40.029 1.00 18.39 N ATOM 1545 CA VAL B 37 19.695 9.938 40.774 1.00 18.34 C ATOM 1546 C VAL B 37 19.773 9.036 41.981 1.00 21.90 C ATOM 1547 O VAL B 37 18.834 8.974 42.761 1.00 21.50 O ATOM 1548 CB VAL B 37 19.736 11.437 41.181 1.00 22.07 C ATOM 1549 CG1 VAL B 37 20.994 11.769 41.999 1.00 23.32 C ATOM 1550 CG2 VAL B 37 19.680 12.314 39.936 1.00 22.27 C ATOM 1551 H VAL B 37 17.579 9.979 40.353 1.00 0.00 H ATOM 1552 N VAL B 38 20.867 8.279 42.079 1.00 19.73 N ATOM 1553 CA VAL B 38 21.079 7.289 43.142 1.00 20.24 C ATOM 1554 C VAL B 38 22.460 7.588 43.718 1.00 24.11 C ATOM 1555 O VAL B 38 23.479 7.288 43.088 1.00 24.06 O ATOM 1556 CB VAL B 38 20.987 5.864 42.528 1.00 25.43 C ATOM 1557 CG1 VAL B 38 21.035 4.788 43.604 1.00 26.60 C ATOM 1558 CG2 VAL B 38 19.742 5.709 41.645 1.00 24.35 C ATOM 1559 H VAL B 38 21.611 8.397 41.362 1.00 0.00 H ATOM 1560 N SER B 39 22.495 8.204 44.916 1.00 24.13 N ATOM 1561 CA SER B 39 23.769 8.574 45.541 1.00 25.97 C ATOM 1562 C SER B 39 24.542 9.472 44.532 1.00 28.67 C ATOM 1563 O SER B 39 23.999 10.466 44.082 1.00 27.15 O ATOM 1564 CB SER B 39 24.572 7.337 45.958 1.00 32.86 C ATOM 1565 OG SER B 39 23.800 6.382 46.669 1.00 43.85 O ATOM 1566 HG SER B 39 23.051 6.075 46.099 1.00 0.00 H ATOM 1567 H SER B 39 21.603 8.421 45.406 1.00 0.00 H ATOM 1568 N ARG B 40 25.782 9.122 44.179 1.00 27.54 N ATOM 1569 CA ARG B 40 26.621 9.906 43.274 1.00 27.64 C ATOM 1570 C ARG B 40 26.409 9.565 41.816 1.00 31.67 C ATOM 1571 O ARG B 40 27.075 10.148 40.956 1.00 35.00 O ATOM 1572 CB ARG B 40 28.095 9.681 43.641 1.00 29.38 C ATOM 1573 CG ARG B 40 28.514 10.288 44.966 1.00 38.08 C ATOM 1574 CD ARG B 40 29.940 9.889 45.338 1.00 54.52 C ATOM 1575 NE ARG B 40 30.043 8.480 45.725 1.00 70.85 N ATOM 1576 CZ ARG B 40 31.173 7.870 46.073 1.00 89.45 C ATOM 1577 NH1 ARG B 40 32.323 8.535 46.071 1.00 81.44 N ATOM 1578 NH2 ARG B 40 31.165 6.587 46.406 1.00 74.75 N ATOM 1579 HE ARG B 40 29.170 7.916 45.728 1.00 0.00 H ATOM 1580 HH12 ARG B 40 33.203 8.053 46.344 1.00 0.00 H ATOM 1581 HH11 ARG B 40 32.343 9.538 45.796 1.00 0.00 H ATOM 1582 HH22 ARG B 40 32.051 6.115 46.677 1.00 0.00 H ATOM 1583 HH21 ARG B 40 30.273 6.053 46.396 1.00 0.00 H ATOM 1584 H ARG B 40 26.173 8.241 44.570 1.00 0.00 H ATOM 1585 N GLU B 41 25.507 8.626 41.525 1.00 23.81 N ATOM 1586 CA GLU B 41 25.283 8.184 40.141 1.00 23.37 C ATOM 1587 C GLU B 41 23.986 8.637 39.517 1.00 25.50 C ATOM 1588 O GLU B 41 23.046 8.948 40.233 1.00 24.23 O ATOM 1589 CB GLU B 41 25.352 6.660 40.052 1.00 24.46 C ATOM 1590 CG GLU B 41 26.718 6.125 40.424 1.00 28.35 C ATOM 1591 CD GLU B 41 27.018 4.769 39.829 1.00 36.52 C ATOM 1592 OE1 GLU B 41 26.616 4.531 38.668 1.00 35.97 O ATOM 1593 OE2 GLU B 41 27.674 3.953 40.514 1.00 37.01 O ATOM 1594 H GLU B 41 24.951 8.198 42.293 1.00 0.00 H ATOM 1595 N GLN B 42 23.923 8.612 38.174 1.00 20.66 N ATOM 1596 CA GLN B 42 22.739 8.963 37.417 1.00 20.43 C ATOM 1597 C GLN B 42 22.451 7.841 36.422 1.00 22.62 C ATOM 1598 O GLN B 42 23.387 7.287 35.836 1.00 22.28 O ATOM 1599 CB GLN B 42 23.004 10.272 36.648 1.00 22.73 C ATOM 1600 CG GLN B 42 22.935 11.518 37.529 1.00 36.16 C ATOM 1601 CD GLN B 42 23.297 12.772 36.766 1.00 55.14 C ATOM 1602 OE1 GLN B 42 22.797 13.028 35.669 1.00 48.31 O ATOM 1603 NE2 GLN B 42 24.179 13.586 37.331 1.00 53.90 N ATOM 1604 HE22 GLN B 42 24.587 13.348 38.258 1.00 0.00 H ATOM 1605 HE21 GLN B 42 24.462 14.462 36.847 1.00 0.00 H ATOM 1606 H GLN B 42 24.773 8.324 37.649 1.00 0.00 H ATOM 1607 N PHE B 43 21.167 7.510 36.208 1.00 18.87 N ATOM 1608 CA PHE B 43 20.726 6.501 35.242 1.00 18.87 C ATOM 1609 C PHE B 43 19.563 7.004 34.450 1.00 23.03 C ATOM 1610 O PHE B 43 18.534 7.339 35.028 1.00 22.73 O ATOM 1611 CB PHE B 43 20.289 5.203 35.941 1.00 20.85 C ATOM 1612 CG PHE B 43 21.340 4.573 36.806 1.00 22.09 C ATOM 1613 CD1 PHE B 43 21.465 4.924 38.146 1.00 23.34 C ATOM 1614 CD2 PHE B 43 22.158 3.575 36.307 1.00 23.56 C ATOM 1615 CE1 PHE B 43 22.428 4.324 38.952 1.00 24.29 C ATOM 1616 CE2 PHE B 43 23.120 2.977 37.117 1.00 26.60 C ATOM 1617 CZ PHE B 43 23.257 3.370 38.428 1.00 24.69 C ATOM 1618 H PHE B 43 20.439 8.002 36.764 1.00 0.00 H ATOM 1619 N ARG B 44 19.686 7.003 33.135 1.00 18.51 N ATOM 1620 CA ARG B 44 18.591 7.431 32.300 1.00 18.44 C ATOM 1621 C ARG B 44 17.748 6.251 31.939 1.00 20.76 C ATOM 1622 O ARG B 44 18.249 5.139 31.810 1.00 20.68 O ATOM 1623 CB ARG B 44 19.106 8.168 31.057 1.00 19.32 C ATOM 1624 CG ARG B 44 19.791 9.494 31.438 1.00 25.15 C ATOM 1625 CD ARG B 44 20.034 10.437 30.274 1.00 25.37 C ATOM 1626 NE ARG B 44 18.793 10.649 29.518 1.00 29.51 N ATOM 1627 CZ ARG B 44 17.877 11.571 29.791 1.00 44.71 C ATOM 1628 NH1 ARG B 44 18.087 12.463 30.747 1.00 36.50 N ATOM 1629 NH2 ARG B 44 16.758 11.629 29.086 1.00 33.81 N ATOM 1630 HE ARG B 44 18.617 10.027 28.703 1.00 0.00 H ATOM 1631 HH12 ARG B 44 17.365 13.182 30.955 1.00 0.00 H ATOM 1632 HH11 ARG B 44 18.974 12.445 31.290 1.00 0.00 H ATOM 1633 HH22 ARG B 44 16.043 12.353 29.303 1.00 0.00 H ATOM 1634 HH21 ARG B 44 16.593 10.951 28.315 1.00 0.00 H ATOM 1635 H ARG B 44 20.578 6.692 32.699 1.00 0.00 H ATOM 1636 N ALA B 45 16.441 6.476 31.809 1.00 16.30 N ATOM 1637 CA ALA B 45 15.486 5.443 31.471 1.00 15.88 C ATOM 1638 C ALA B 45 14.228 6.018 30.826 1.00 15.95 C ATOM 1639 O ALA B 45 14.099 7.235 30.628 1.00 14.94 O ATOM 1640 CB ALA B 45 15.119 4.663 32.744 1.00 18.22 C ATOM 1641 H ALA B 45 16.090 7.443 31.958 1.00 0.00 H ATOM 1642 N HIS B 46 13.328 5.112 30.454 1.00 15.18 N ATOM 1643 CA HIS B 46 12.003 5.412 29.950 1.00 13.91 C ATOM 1644 C HIS B 46 11.037 5.221 31.084 1.00 14.87 C ATOM 1645 O HIS B 46 10.922 4.125 31.644 1.00 14.69 O ATOM 1646 CB HIS B 46 11.625 4.461 28.818 1.00 14.73 C ATOM 1647 CG HIS B 46 12.598 4.492 27.682 1.00 16.53 C ATOM 1648 ND1 HIS B 46 13.551 3.500 27.532 1.00 17.58 N ATOM 1649 CD2 HIS B 46 12.715 5.365 26.658 1.00 16.82 C ATOM 1650 CE1 HIS B 46 14.213 3.792 26.425 1.00 16.56 C ATOM 1651 NE2 HIS B 46 13.764 4.916 25.873 1.00 16.61 N ATOM 1652 H HIS B 46 13.596 4.110 30.531 1.00 0.00 H ATOM 1653 N LYS B 47 10.308 6.288 31.430 1.00 14.96 N ATOM 1654 CA LYS B 47 9.289 6.222 32.467 1.00 14.63 C ATOM 1655 C LYS B 47 8.274 5.103 32.267 1.00 17.27 C ATOM 1656 O LYS B 47 7.873 4.462 33.236 1.00 17.22 O ATOM 1657 CB LYS B 47 8.576 7.585 32.596 1.00 17.71 C ATOM 1658 CG LYS B 47 9.418 8.609 33.373 1.00 21.03 C ATOM 1659 CD LYS B 47 8.644 9.898 33.661 1.00 25.82 C ATOM 1660 CE LYS B 47 9.011 10.964 32.691 1.00 24.13 C ATOM 1661 NZ LYS B 47 8.291 12.274 32.960 1.00 19.62 N ATOM 1662 HZ1 LYS B 47 7.264 12.123 32.895 1.00 0.00 H ATOM 1663 HZ2 LYS B 47 8.534 12.612 33.913 1.00 0.00 H ATOM 1664 HZ3 LYS B 47 8.584 12.980 32.255 1.00 0.00 H ATOM 1665 H LYS B 47 10.474 7.192 30.943 1.00 0.00 H ATOM 1666 N THR B 48 7.898 4.803 31.019 1.00 15.30 N ATOM 1667 CA THR B 48 6.924 3.738 30.772 1.00 14.74 C ATOM 1668 C THR B 48 7.456 2.381 31.236 1.00 15.57 C ATOM 1669 O THR B 48 6.699 1.594 31.789 1.00 17.39 O ATOM 1670 CB THR B 48 6.551 3.666 29.303 1.00 15.85 C ATOM 1671 OG1 THR B 48 7.759 3.648 28.527 1.00 18.65 O ATOM 1672 CG2 THR B 48 5.646 4.822 28.899 1.00 19.18 C ATOM 1673 HG1 THR B 48 8.276 4.473 28.705 1.00 0.00 H ATOM 1674 H THR B 48 8.300 5.330 30.218 1.00 0.00 H ATOM 1675 N VAL B 49 8.776 2.118 31.019 1.00 15.60 N ATOM 1676 CA VAL B 49 9.373 0.842 31.414 1.00 15.55 C ATOM 1677 C VAL B 49 9.461 0.774 32.957 1.00 18.29 C ATOM 1678 O VAL B 49 9.124 -0.250 33.566 1.00 18.27 O ATOM 1679 CB VAL B 49 10.723 0.576 30.695 1.00 18.02 C ATOM 1680 CG1 VAL B 49 11.395 -0.691 31.243 1.00 19.16 C ATOM 1681 CG2 VAL B 49 10.532 0.461 29.159 1.00 17.72 C ATOM 1682 H VAL B 49 9.371 2.839 30.563 1.00 0.00 H ATOM 1683 N LEU B 50 9.881 1.880 33.590 1.00 16.18 N ATOM 1684 CA LEU B 50 9.947 1.966 35.051 1.00 15.32 C ATOM 1685 C LEU B 50 8.583 1.683 35.663 1.00 17.94 C ATOM 1686 O LEU B 50 8.500 0.889 36.617 1.00 17.57 O ATOM 1687 CB LEU B 50 10.441 3.359 35.473 1.00 15.47 C ATOM 1688 CG LEU B 50 11.841 3.765 35.023 1.00 17.12 C ATOM 1689 CD1 LEU B 50 12.206 5.115 35.616 1.00 18.06 C ATOM 1690 CD2 LEU B 50 12.898 2.701 35.420 1.00 17.99 C ATOM 1691 H LEU B 50 10.169 2.704 33.025 1.00 0.00 H ATOM 1692 N MET B 51 7.509 2.284 35.103 1.00 15.84 N ATOM 1693 CA MET B 51 6.135 2.070 35.589 1.00 14.63 C ATOM 1694 C MET B 51 5.684 0.642 35.428 1.00 18.41 C ATOM 1695 O MET B 51 4.972 0.112 36.286 1.00 18.14 O ATOM 1696 CB MET B 51 5.137 2.970 34.860 1.00 16.22 C ATOM 1697 CG MET B 51 5.276 4.442 35.182 1.00 16.16 C ATOM 1698 SD MET B 51 3.923 5.398 34.379 1.00 19.00 S ATOM 1699 CE MET B 51 2.556 4.890 35.307 1.00 19.73 C ATOM 1700 H MET B 51 7.659 2.923 34.296 1.00 0.00 H ATOM 1701 N ALA B 52 6.061 0.025 34.294 1.00 16.15 N ATOM 1702 CA ALA B 52 5.670 -1.338 33.982 1.00 17.30 C ATOM 1703 C ALA B 52 6.308 -2.357 34.902 1.00 23.53 C ATOM 1704 O ALA B 52 5.798 -3.465 34.997 1.00 24.18 O ATOM 1705 CB ALA B 52 6.045 -1.642 32.531 1.00 17.75 C ATOM 1706 H ALA B 52 6.655 0.543 33.615 1.00 0.00 H ATOM 1707 N CYS B 53 7.424 -2.002 35.536 1.00 19.25 N ATOM 1708 CA CYS B 53 8.250 -2.914 36.324 1.00 18.71 C ATOM 1709 C CYS B 53 8.273 -2.698 37.823 1.00 21.12 C ATOM 1710 O CYS B 53 8.599 -3.629 38.568 1.00 21.67 O ATOM 1711 CB CYS B 53 9.675 -2.831 35.802 1.00 18.64 C ATOM 1712 SG CYS B 53 9.891 -3.486 34.136 1.00 21.04 S ATOM 1713 H CYS B 53 7.728 -1.010 35.466 1.00 0.00 H ATOM 1714 N SER B 54 8.131 -1.446 38.255 1.00 19.03 N ATOM 1715 CA SER B 54 8.332 -1.074 39.652 1.00 17.99 C ATOM 1716 C SER B 54 7.075 -0.435 40.226 1.00 21.81 C ATOM 1717 O SER B 54 6.560 0.522 39.660 1.00 19.97 O ATOM 1718 CB SER B 54 9.507 -0.086 39.702 1.00 18.42 C ATOM 1719 OG SER B 54 9.529 0.662 40.913 1.00 19.28 O ATOM 1720 HG SER B 54 9.614 0.043 41.681 1.00 0.00 H ATOM 1721 H SER B 54 7.867 -0.707 37.572 1.00 0.00 H ATOM 1722 N GLY B 55 6.618 -0.938 41.366 1.00 19.24 N ATOM 1723 CA GLY B 55 5.446 -0.371 42.015 1.00 19.48 C ATOM 1724 C GLY B 55 5.719 1.027 42.506 1.00 21.45 C ATOM 1725 O GLY B 55 4.809 1.864 42.483 1.00 20.67 O ATOM 1726 H GLY B 55 7.104 -1.748 41.801 1.00 0.00 H ATOM 1727 N LEU B 56 6.995 1.325 42.888 1.00 19.45 N ATOM 1728 CA LEU B 56 7.371 2.671 43.357 1.00 18.59 C ATOM 1729 C LEU B 56 7.256 3.633 42.145 1.00 18.64 C ATOM 1730 O LEU B 56 6.634 4.710 42.248 1.00 17.87 O ATOM 1731 CB LEU B 56 8.829 2.710 43.867 1.00 18.83 C ATOM 1732 CG LEU B 56 9.330 4.111 44.271 1.00 22.45 C ATOM 1733 CD1 LEU B 56 8.505 4.664 45.449 1.00 24.11 C ATOM 1734 CD2 LEU B 56 10.803 4.114 44.610 1.00 25.91 C ATOM 1735 H LEU B 56 7.722 0.582 42.847 1.00 0.00 H ATOM 1736 N PHE B 57 7.906 3.281 41.027 1.00 16.25 N ATOM 1737 CA PHE B 57 7.836 4.194 39.880 1.00 16.88 C ATOM 1738 C PHE B 57 6.426 4.264 39.314 1.00 17.72 C ATOM 1739 O PHE B 57 6.019 5.342 38.856 1.00 17.83 O ATOM 1740 CB PHE B 57 8.870 3.793 38.839 1.00 17.46 C ATOM 1741 CG PHE B 57 10.303 4.051 39.237 1.00 17.53 C ATOM 1742 CD1 PHE B 57 10.716 5.320 39.633 1.00 19.19 C ATOM 1743 CD2 PHE B 57 11.261 3.056 39.125 1.00 18.63 C ATOM 1744 CE1 PHE B 57 12.052 5.561 39.990 1.00 19.89 C ATOM 1745 CE2 PHE B 57 12.596 3.295 39.488 1.00 21.49 C ATOM 1746 CZ PHE B 57 12.978 4.542 39.940 1.00 21.41 C ATOM 1747 H PHE B 57 8.442 2.391 40.974 1.00 0.00 H ATOM 1748 N TYR B 58 5.679 3.173 39.327 1.00 16.14 N ATOM 1749 CA TYR B 58 4.284 3.232 38.925 1.00 15.87 C ATOM 1750 C TYR B 58 3.519 4.281 39.745 1.00 19.17 C ATOM 1751 O TYR B 58 2.874 5.152 39.181 1.00 18.79 O ATOM 1752 CB TYR B 58 3.618 1.845 39.057 1.00 18.49 C ATOM 1753 CG TYR B 58 2.146 1.967 38.782 1.00 19.98 C ATOM 1754 CD1 TYR B 58 1.671 2.057 37.477 1.00 19.63 C ATOM 1755 CD2 TYR B 58 1.246 2.194 39.816 1.00 21.60 C ATOM 1756 CE1 TYR B 58 0.345 2.373 37.212 1.00 21.87 C ATOM 1757 CE2 TYR B 58 -0.086 2.495 39.565 1.00 23.82 C ATOM 1758 CZ TYR B 58 -0.533 2.590 38.262 1.00 26.05 C ATOM 1759 OH TYR B 58 -1.857 2.878 38.029 1.00 28.75 O ATOM 1760 HH TYR B 58 -2.019 2.912 37.053 1.00 0.00 H ATOM 1761 H TYR B 58 6.093 2.267 39.627 1.00 0.00 H ATOM 1762 N SER B 59 3.632 4.205 41.092 1.00 18.05 N ATOM 1763 CA SER B 59 2.931 5.099 42.009 1.00 17.51 C ATOM 1764 C SER B 59 3.319 6.546 41.798 1.00 20.32 C ATOM 1765 O SER B 59 2.462 7.427 41.914 1.00 21.17 O ATOM 1766 CB SER B 59 3.168 4.683 43.456 1.00 20.11 C ATOM 1767 OG SER B 59 2.576 3.414 43.664 1.00 23.58 O ATOM 1768 HG SER B 59 2.988 2.754 43.051 1.00 0.00 H ATOM 1769 H SER B 59 4.250 3.472 41.494 1.00 0.00 H ATOM 1770 N ILE B 60 4.601 6.806 41.476 1.00 16.63 N ATOM 1771 CA ILE B 60 5.069 8.166 41.271 1.00 17.21 C ATOM 1772 C ILE B 60 4.465 8.737 39.974 1.00 20.39 C ATOM 1773 O ILE B 60 3.750 9.760 40.012 1.00 20.65 O ATOM 1774 CB ILE B 60 6.635 8.213 41.245 1.00 19.32 C ATOM 1775 CG1 ILE B 60 7.221 7.936 42.667 1.00 20.24 C ATOM 1776 CG2 ILE B 60 7.156 9.559 40.644 1.00 21.60 C ATOM 1777 CD1 ILE B 60 8.766 7.682 42.736 1.00 25.17 C ATOM 1778 H ILE B 60 5.270 6.016 41.372 1.00 0.00 H ATOM 1779 N PHE B 61 4.773 8.102 38.826 1.00 18.13 N ATOM 1780 CA PHE B 61 4.419 8.635 37.525 1.00 17.74 C ATOM 1781 C PHE B 61 2.927 8.536 37.175 1.00 20.19 C ATOM 1782 O PHE B 61 2.485 9.311 36.316 1.00 20.18 O ATOM 1783 CB PHE B 61 5.310 8.061 36.425 1.00 18.81 C ATOM 1784 CG PHE B 61 6.794 8.296 36.663 1.00 19.37 C ATOM 1785 CD1 PHE B 61 7.293 9.577 36.877 1.00 22.38 C ATOM 1786 CD2 PHE B 61 7.683 7.235 36.712 1.00 19.39 C ATOM 1787 CE1 PHE B 61 8.667 9.784 37.111 1.00 23.33 C ATOM 1788 CE2 PHE B 61 9.050 7.446 36.921 1.00 21.26 C ATOM 1789 CZ PHE B 61 9.535 8.715 37.105 1.00 21.13 C ATOM 1790 H PHE B 61 5.283 7.197 38.875 1.00 0.00 H ATOM 1791 N THR B 62 2.145 7.658 37.812 1.00 18.04 N ATOM 1792 CA THR B 62 0.716 7.583 37.519 1.00 19.06 C ATOM 1793 C THR B 62 0.017 8.829 38.016 1.00 22.90 C ATOM 1794 O THR B 62 -1.031 9.215 37.492 1.00 22.83 O ATOM 1795 CB THR B 62 0.077 6.304 38.063 1.00 24.84 C ATOM 1796 OG1 THR B 62 -1.191 6.142 37.401 1.00 26.70 O ATOM 1797 CG2 THR B 62 -0.100 6.311 39.596 1.00 22.40 C ATOM 1798 HG1 THR B 62 -1.765 6.926 37.593 1.00 0.00 H ATOM 1799 H THR B 62 2.559 7.022 38.523 1.00 0.00 H ATOM 1800 N ASP B 63 0.584 9.446 39.060 1.00 19.56 N ATOM 1801 CA ASP B 63 0.031 10.648 39.654 1.00 19.03 C ATOM 1802 C ASP B 63 0.324 11.833 38.728 1.00 20.54 C ATOM 1803 O ASP B 63 1.487 12.124 38.449 1.00 18.11 O ATOM 1804 CB ASP B 63 0.697 10.857 41.031 1.00 19.60 C ATOM 1805 CG ASP B 63 0.135 12.020 41.831 1.00 24.30 C ATOM 1806 OD1 ASP B 63 -0.590 12.856 41.242 1.00 23.55 O ATOM 1807 OD2 ASP B 63 0.370 12.063 43.068 1.00 24.93 O ATOM 1808 H ASP B 63 1.457 9.047 39.461 1.00 0.00 H ATOM 1809 N GLN B 64 -0.726 12.524 38.294 1.00 19.94 N ATOM 1810 CA GLN B 64 -0.546 13.721 37.457 1.00 20.58 C ATOM 1811 C GLN B 64 0.372 14.772 38.099 1.00 24.56 C ATOM 1812 O GLN B 64 1.016 15.532 37.379 1.00 25.08 O ATOM 1813 CB GLN B 64 -1.906 14.322 37.062 1.00 23.44 C ATOM 1814 CG GLN B 64 -2.398 13.854 35.701 1.00 46.33 C ATOM 1815 CD GLN B 64 -1.703 14.534 34.539 1.00 64.39 C ATOM 1816 OE1 GLN B 64 -1.553 13.947 33.464 1.00 57.77 O ATOM 1817 NE2 GLN B 64 -1.296 15.798 34.708 1.00 55.83 N ATOM 1818 HE22 GLN B 64 -1.434 16.271 35.624 1.00 0.00 H ATOM 1819 HE21 GLN B 64 -0.842 16.307 33.923 1.00 0.00 H ATOM 1820 H GLN B 64 -1.686 12.215 38.549 1.00 0.00 H ATOM 1821 N LEU B 65 0.499 14.774 39.448 1.00 21.21 N ATOM 1822 CA LEU B 65 1.381 15.709 40.154 1.00 21.50 C ATOM 1823 C LEU B 65 2.860 15.483 39.825 1.00 23.00 C ATOM 1824 O LEU B 65 3.675 16.412 39.928 1.00 24.54 O ATOM 1825 CB LEU B 65 1.166 15.578 41.695 1.00 22.71 C ATOM 1826 CG LEU B 65 2.094 16.373 42.634 1.00 27.07 C ATOM 1827 CD1 LEU B 65 1.557 17.798 42.849 1.00 28.38 C ATOM 1828 CD2 LEU B 65 2.278 15.666 43.958 1.00 30.14 C ATOM 1829 H LEU B 65 -0.049 14.087 40.003 1.00 0.00 H ATOM 1830 N LYS B 66 3.220 14.229 39.481 1.00 17.57 N ATOM 1831 CA LYS B 66 4.629 13.867 39.295 1.00 17.98 C ATOM 1832 C LYS B 66 4.889 13.285 37.905 1.00 19.84 C ATOM 1833 O LYS B 66 6.058 13.071 37.556 1.00 20.08 O ATOM 1834 CB LYS B 66 4.998 12.792 40.328 1.00 21.05 C ATOM 1835 CG LYS B 66 4.948 13.271 41.766 1.00 25.51 C ATOM 1836 CD LYS B 66 5.317 12.131 42.707 1.00 29.20 C ATOM 1837 CE LYS B 66 5.647 12.628 44.091 1.00 49.81 C ATOM 1838 NZ LYS B 66 5.827 11.502 45.055 1.00 57.99 N ATOM 1839 HZ1 LYS B 66 4.948 10.948 45.107 1.00 0.00 H ATOM 1840 HZ2 LYS B 66 6.605 10.892 44.732 1.00 0.00 H ATOM 1841 HZ3 LYS B 66 6.053 11.885 45.995 1.00 0.00 H ATOM 1842 H LYS B 66 2.485 13.506 39.345 1.00 0.00 H ATOM 1843 N ARG B 67 3.839 13.075 37.126 1.00 17.82 N ATOM 1844 CA ARG B 67 3.912 12.457 35.787 1.00 18.97 C ATOM 1845 C ARG B 67 5.029 13.049 34.906 1.00 20.81 C ATOM 1846 O ARG B 67 5.710 12.282 34.199 1.00 21.92 O ATOM 1847 CB ARG B 67 2.527 12.548 35.121 1.00 20.02 C ATOM 1848 CG ARG B 67 2.423 12.182 33.621 1.00 29.31 C ATOM 1849 CD ARG B 67 1.960 10.765 33.366 1.00 27.91 C ATOM 1850 NE ARG B 67 0.863 10.325 34.241 1.00 17.61 N ATOM 1851 CZ ARG B 67 -0.421 10.285 33.883 1.00 18.06 C ATOM 1852 NH1 ARG B 67 -0.794 10.670 32.662 1.00 18.20 N ATOM 1853 NH2 ARG B 67 -1.334 9.827 34.725 1.00 22.12 N ATOM 1854 HE ARG B 67 1.105 10.024 35.206 1.00 0.00 H ATOM 1855 HH12 ARG B 67 -1.797 10.636 32.390 1.00 0.00 H ATOM 1856 HH11 ARG B 67 -0.082 11.004 31.982 1.00 0.00 H ATOM 1857 HH22 ARG B 67 -2.334 9.798 34.442 1.00 0.00 H ATOM 1858 HH21 ARG B 67 -1.051 9.497 35.670 1.00 0.00 H ATOM 1859 H ARG B 67 2.904 13.363 37.479 1.00 0.00 H ATOM 1860 N ASN B 68 5.225 14.378 34.949 1.00 18.04 N ATOM 1861 CA ASN B 68 6.144 15.032 34.027 1.00 18.76 C ATOM 1862 C ASN B 68 7.544 15.320 34.585 1.00 23.53 C ATOM 1863 O ASN B 68 8.372 15.919 33.885 1.00 25.45 O ATOM 1864 CB ASN B 68 5.485 16.298 33.455 1.00 19.22 C ATOM 1865 CG ASN B 68 4.287 15.923 32.595 1.00 27.21 C ATOM 1866 OD1 ASN B 68 4.393 15.181 31.599 1.00 27.97 O ATOM 1867 ND2 ASN B 68 3.088 16.227 33.071 1.00 23.96 N ATOM 1868 HD22 ASN B 68 3.000 16.846 33.902 1.00 0.00 H ATOM 1869 HD21 ASN B 68 2.235 15.846 32.614 1.00 0.00 H ATOM 1870 H ASN B 68 4.713 14.948 35.652 1.00 0.00 H ATOM 1871 N LEU B 69 7.838 14.813 35.770 1.00 21.64 N ATOM 1872 CA LEU B 69 9.153 14.979 36.372 1.00 22.52 C ATOM 1873 C LEU B 69 10.238 14.395 35.448 1.00 24.31 C ATOM 1874 O LEU B 69 10.051 13.319 34.879 1.00 24.88 O ATOM 1875 CB LEU B 69 9.207 14.281 37.734 1.00 23.73 C ATOM 1876 CG LEU B 69 8.476 15.021 38.865 1.00 30.36 C ATOM 1877 CD1 LEU B 69 8.471 14.203 40.130 1.00 31.39 C ATOM 1878 CD2 LEU B 69 9.088 16.396 39.124 1.00 32.53 C ATOM 1879 H LEU B 69 7.109 14.281 36.287 1.00 0.00 H ATOM 1880 N SER B 70 11.343 15.125 35.270 1.00 23.16 N ATOM 1881 CA SER B 70 12.427 14.626 34.423 1.00 23.73 C ATOM 1882 C SER B 70 13.607 14.139 35.256 1.00 23.22 C ATOM 1883 O SER B 70 14.555 13.613 34.676 1.00 20.70 O ATOM 1884 CB SER B 70 12.870 15.681 33.411 1.00 29.44 C ATOM 1885 OG SER B 70 13.420 16.826 34.037 1.00 41.34 O ATOM 1886 HG SER B 70 13.692 17.480 33.345 1.00 0.00 H ATOM 1887 H SER B 70 11.433 16.051 35.735 1.00 0.00 H ATOM 1888 N VAL B 71 13.571 14.348 36.591 1.00 20.05 N ATOM 1889 CA VAL B 71 14.623 13.932 37.525 1.00 19.50 C ATOM 1890 C VAL B 71 13.906 13.342 38.739 1.00 24.78 C ATOM 1891 O VAL B 71 12.977 13.980 39.251 1.00 25.20 O ATOM 1892 CB VAL B 71 15.536 15.123 38.008 1.00 24.26 C ATOM 1893 CG1 VAL B 71 16.618 14.632 38.965 1.00 24.81 C ATOM 1894 CG2 VAL B 71 16.178 15.892 36.857 1.00 24.97 C ATOM 1895 H VAL B 71 12.741 14.837 36.983 1.00 0.00 H ATOM 1896 N ILE B 72 14.332 12.150 39.197 1.00 21.61 N ATOM 1897 CA ILE B 72 13.819 11.529 40.417 1.00 21.89 C ATOM 1898 C ILE B 72 15.028 11.241 41.264 1.00 21.86 C ATOM 1899 O ILE B 72 15.933 10.543 40.826 1.00 21.56 O ATOM 1900 CB ILE B 72 13.005 10.221 40.208 1.00 25.42 C ATOM 1901 CG1 ILE B 72 11.775 10.435 39.306 1.00 27.01 C ATOM 1902 CG2 ILE B 72 12.625 9.555 41.553 1.00 26.91 C ATOM 1903 CD1 ILE B 72 10.644 11.243 39.938 1.00 28.38 C ATOM 1904 H ILE B 72 15.063 11.645 38.656 1.00 0.00 H ATOM 1905 N ASN B 73 15.049 11.792 42.480 1.00 19.91 N ATOM 1906 CA ASN B 73 16.125 11.507 43.426 1.00 21.46 C ATOM 1907 C ASN B 73 15.662 10.386 44.335 1.00 25.73 C ATOM 1908 O ASN B 73 14.704 10.565 45.103 1.00 26.00 O ATOM 1909 CB ASN B 73 16.435 12.749 44.233 1.00 21.34 C ATOM 1910 CG ASN B 73 17.025 13.843 43.401 1.00 30.91 C ATOM 1911 OD1 ASN B 73 18.224 13.851 43.125 1.00 33.17 O ATOM 1912 ND2 ASN B 73 16.192 14.770 42.959 1.00 36.24 N ATOM 1913 HD22 ASN B 73 15.185 14.728 43.215 1.00 0.00 H ATOM 1914 HD21 ASN B 73 16.544 15.541 42.356 1.00 0.00 H ATOM 1915 H ASN B 73 14.283 12.438 42.760 1.00 0.00 H ATOM 1916 N LEU B 74 16.318 9.221 44.255 1.00 21.10 N ATOM 1917 CA LEU B 74 15.941 8.103 45.111 1.00 22.00 C ATOM 1918 C LEU B 74 16.475 8.323 46.516 1.00 25.88 C ATOM 1919 O LEU B 74 17.358 9.160 46.717 1.00 24.25 O ATOM 1920 CB LEU B 74 16.501 6.775 44.585 1.00 23.37 C ATOM 1921 CG LEU B 74 15.950 6.224 43.278 1.00 27.15 C ATOM 1922 CD1 LEU B 74 16.276 4.741 43.159 1.00 28.97 C ATOM 1923 CD2 LEU B 74 14.447 6.426 43.154 1.00 25.25 C ATOM 1924 H LEU B 74 17.101 9.113 43.579 1.00 0.00 H ATOM 1925 N ASP B 75 15.971 7.545 47.478 1.00 24.22 N ATOM 1926 CA ASP B 75 16.435 7.573 48.867 1.00 25.50 C ATOM 1927 C ASP B 75 17.982 7.486 48.847 1.00 31.33 C ATOM 1928 O ASP B 75 18.506 6.609 48.154 1.00 30.21 O ATOM 1929 CB ASP B 75 15.821 6.355 49.592 1.00 26.35 C ATOM 1930 CG ASP B 75 16.345 5.996 50.971 1.00 32.48 C ATOM 1931 OD1 ASP B 75 17.287 6.654 51.442 1.00 35.38 O ATOM 1932 OD2 ASP B 75 15.857 5.021 51.541 1.00 32.31 O ATOM 1933 H ASP B 75 15.208 6.884 47.227 1.00 0.00 H ATOM 1934 N PRO B 76 18.717 8.401 49.543 1.00 31.46 N ATOM 1935 CA PRO B 76 20.203 8.367 49.505 1.00 32.43 C ATOM 1936 C PRO B 76 20.835 7.059 49.955 1.00 36.12 C ATOM 1937 O PRO B 76 21.957 6.735 49.530 1.00 36.50 O ATOM 1938 CB PRO B 76 20.611 9.499 50.462 1.00 35.25 C ATOM 1939 CG PRO B 76 19.411 9.752 51.306 1.00 39.56 C ATOM 1940 CD PRO B 76 18.246 9.523 50.379 1.00 33.67 C ATOM 1941 N GLU B 77 20.114 6.302 50.802 1.00 31.29 N ATOM 1942 CA GLU B 77 20.562 5.006 51.306 1.00 31.27 C ATOM 1943 C GLU B 77 20.645 3.929 50.246 1.00 33.26 C ATOM 1944 O GLU B 77 21.297 2.908 50.481 1.00 33.91 O ATOM 1945 CB GLU B 77 19.690 4.518 52.480 1.00 33.42 C ATOM 1946 CG GLU B 77 19.811 5.361 53.744 1.00 40.96 C ATOM 1947 CD GLU B 77 21.215 5.593 54.269 1.00 53.80 C ATOM 1948 OE1 GLU B 77 22.062 4.684 54.126 1.00 37.40 O ATOM 1949 OE2 GLU B 77 21.469 6.689 54.821 1.00 51.68 O ATOM 1950 H GLU B 77 19.188 6.658 51.115 1.00 0.00 H ATOM 1951 N ILE B 78 19.977 4.128 49.102 1.00 30.06 N ATOM 1952 CA ILE B 78 20.004 3.137 48.028 1.00 30.50 C ATOM 1953 C ILE B 78 21.379 3.143 47.355 1.00 37.67 C ATOM 1954 O ILE B 78 21.897 4.208 47.020 1.00 39.59 O ATOM 1955 CB ILE B 78 18.831 3.337 47.027 1.00 32.05 C ATOM 1956 CG1 ILE B 78 17.450 3.290 47.741 1.00 32.82 C ATOM 1957 CG2 ILE B 78 18.911 2.348 45.843 1.00 32.43 C ATOM 1958 CD1 ILE B 78 17.077 1.926 48.472 1.00 40.77 C ATOM 1959 H ILE B 78 19.429 5.003 48.976 1.00 0.00 H ATOM 1960 N ASN B 79 21.964 1.967 47.186 1.00 36.93 N ATOM 1961 CA ASN B 79 23.277 1.858 46.558 1.00 37.72 C ATOM 1962 C ASN B 79 23.134 1.698 45.049 1.00 37.78 C ATOM 1963 O ASN B 79 22.230 0.985 44.596 1.00 34.44 O ATOM 1964 CB ASN B 79 24.106 0.743 47.181 1.00 46.93 C ATOM 1965 CG ASN B 79 24.641 1.099 48.552 1.00 84.80 C ATOM 1966 OD1 ASN B 79 25.193 2.185 48.781 1.00 83.23 O ATOM 1967 ND2 ASN B 79 24.495 0.187 49.498 1.00 80.65 N ATOM 1968 HD22 ASN B 79 24.028 -0.717 49.281 1.00 0.00 H ATOM 1969 HD21 ASN B 79 24.847 0.373 50.459 1.00 0.00 H ATOM 1970 H ASN B 79 21.479 1.105 47.507 1.00 0.00 H ATOM 1971 N PRO B 80 23.960 2.411 44.246 1.00 35.07 N ATOM 1972 CA PRO B 80 23.815 2.305 42.790 1.00 33.67 C ATOM 1973 C PRO B 80 24.027 0.908 42.221 1.00 35.64 C ATOM 1974 O PRO B 80 23.467 0.634 41.169 1.00 33.64 O ATOM 1975 CB PRO B 80 24.815 3.321 42.241 1.00 36.42 C ATOM 1976 CG PRO B 80 25.791 3.540 43.337 1.00 42.70 C ATOM 1977 CD PRO B 80 25.052 3.338 44.619 1.00 38.57 C ATOM 1978 N GLU B 81 24.778 0.025 42.914 1.00 33.47 N ATOM 1979 CA GLU B 81 25.003 -1.344 42.441 1.00 33.26 C ATOM 1980 C GLU B 81 23.683 -2.128 42.318 1.00 32.25 C ATOM 1981 O GLU B 81 23.380 -2.661 41.252 1.00 30.25 O ATOM 1982 CB GLU B 81 26.000 -2.075 43.365 1.00 36.37 C ATOM 1983 CG GLU B 81 26.085 -3.574 43.124 1.00 45.03 C ATOM 1984 CD GLU B 81 26.709 -4.434 44.211 1.00 56.06 C ATOM 1985 OE1 GLU B 81 27.184 -5.538 43.865 1.00 50.40 O ATOM 1986 OE2 GLU B 81 26.688 -4.037 45.400 1.00 48.13 O ATOM 1987 H GLU B 81 25.210 0.326 43.811 1.00 0.00 H ATOM 1988 N GLY B 82 22.930 -2.195 43.409 1.00 29.31 N ATOM 1989 CA GLY B 82 21.648 -2.886 43.468 1.00 28.81 C ATOM 1990 C GLY B 82 20.623 -2.262 42.544 1.00 28.84 C ATOM 1991 O GLY B 82 19.907 -2.985 41.841 1.00 27.37 O ATOM 1992 H GLY B 82 23.275 -1.727 44.272 1.00 0.00 H ATOM 1993 N PHE B 83 20.625 -0.904 42.450 1.00 25.03 N ATOM 1994 CA PHE B 83 19.714 -0.229 41.545 1.00 22.59 C ATOM 1995 C PHE B 83 20.016 -0.611 40.096 1.00 25.01 C ATOM 1996 O PHE B 83 19.100 -0.998 39.353 1.00 23.69 O ATOM 1997 CB PHE B 83 19.777 1.303 41.697 1.00 22.02 C ATOM 1998 CG PHE B 83 18.754 1.946 40.796 1.00 21.94 C ATOM 1999 CD1 PHE B 83 17.395 1.876 41.100 1.00 23.35 C ATOM 2000 CD2 PHE B 83 19.132 2.514 39.587 1.00 22.25 C ATOM 2001 CE1 PHE B 83 16.439 2.347 40.196 1.00 21.61 C ATOM 2002 CE2 PHE B 83 18.182 3.061 38.732 1.00 22.42 C ATOM 2003 CZ PHE B 83 16.841 2.977 39.042 1.00 21.18 C ATOM 2004 H PHE B 83 21.284 -0.347 43.031 1.00 0.00 H ATOM 2005 N ASN B 84 21.307 -0.536 39.697 1.00 23.50 N ATOM 2006 CA ASN B 84 21.721 -0.877 38.336 1.00 23.74 C ATOM 2007 C ASN B 84 21.350 -2.324 37.968 1.00 24.44 C ATOM 2008 O ASN B 84 20.874 -2.550 36.860 1.00 22.83 O ATOM 2009 CB ASN B 84 23.215 -0.621 38.119 1.00 28.28 C ATOM 2010 CG ASN B 84 23.562 -0.410 36.653 1.00 45.43 C ATOM 2011 OD1 ASN B 84 22.696 -0.365 35.786 1.00 39.89 O ATOM 2012 ND2 ASN B 84 24.823 -0.180 36.353 1.00 41.94 N ATOM 2013 HD22 ASN B 84 25.550 -0.221 37.096 1.00 0.00 H ATOM 2014 HD21 ASN B 84 25.092 0.042 35.373 1.00 0.00 H ATOM 2015 H ASN B 84 22.028 -0.226 40.380 1.00 0.00 H ATOM 2016 N ILE B 85 21.527 -3.286 38.899 1.00 24.42 N ATOM 2017 CA ILE B 85 21.147 -4.662 38.647 1.00 23.47 C ATOM 2018 C ILE B 85 19.645 -4.773 38.383 1.00 24.79 C ATOM 2019 O ILE B 85 19.257 -5.465 37.451 1.00 24.32 O ATOM 2020 CB ILE B 85 21.618 -5.543 39.814 1.00 26.90 C ATOM 2021 CG1 ILE B 85 23.159 -5.769 39.746 1.00 29.34 C ATOM 2022 CG2 ILE B 85 20.860 -6.882 39.869 1.00 29.43 C ATOM 2023 CD1 ILE B 85 23.867 -6.033 41.148 1.00 31.13 C ATOM 2024 H ILE B 85 21.945 -3.034 39.817 1.00 0.00 H ATOM 2025 N LEU B 86 18.825 -4.018 39.097 1.00 23.22 N ATOM 2026 CA LEU B 86 17.378 -4.047 38.930 1.00 22.19 C ATOM 2027 C LEU B 86 16.925 -3.341 37.675 1.00 23.77 C ATOM 2028 O LEU B 86 15.987 -3.805 37.039 1.00 21.40 O ATOM 2029 CB LEU B 86 16.652 -3.528 40.174 1.00 22.42 C ATOM 2030 CG LEU B 86 16.817 -4.477 41.376 1.00 26.69 C ATOM 2031 CD1 LEU B 86 16.349 -3.840 42.633 1.00 27.41 C ATOM 2032 CD2 LEU B 86 16.107 -5.813 41.145 1.00 29.67 C ATOM 2033 H LEU B 86 19.231 -3.377 39.808 1.00 0.00 H ATOM 2034 N LEU B 87 17.569 -2.213 37.318 1.00 21.35 N ATOM 2035 CA LEU B 87 17.252 -1.488 36.088 1.00 19.33 C ATOM 2036 C LEU B 87 17.579 -2.418 34.932 1.00 19.67 C ATOM 2037 O LEU B 87 16.802 -2.484 33.972 1.00 20.69 O ATOM 2038 CB LEU B 87 18.085 -0.217 35.982 1.00 18.95 C ATOM 2039 CG LEU B 87 17.794 0.697 34.764 1.00 21.23 C ATOM 2040 CD1 LEU B 87 16.324 1.177 34.747 1.00 20.85 C ATOM 2041 CD2 LEU B 87 18.707 1.925 34.775 1.00 23.13 C ATOM 2042 H LEU B 87 18.318 -1.845 37.939 1.00 0.00 H ATOM 2043 N ASP B 88 18.740 -3.074 34.969 1.00 20.80 N ATOM 2044 CA ASP B 88 19.079 -4.022 33.880 1.00 20.52 C ATOM 2045 C ASP B 88 18.053 -5.146 33.786 1.00 23.81 C ATOM 2046 O ASP B 88 17.652 -5.522 32.665 1.00 22.33 O ATOM 2047 CB ASP B 88 20.482 -4.631 34.055 1.00 22.68 C ATOM 2048 CG ASP B 88 21.659 -3.742 33.706 1.00 33.12 C ATOM 2049 OD1 ASP B 88 21.449 -2.712 33.036 1.00 35.30 O ATOM 2050 OD2 ASP B 88 22.804 -4.117 34.045 1.00 41.62 O ATOM 2051 H ASP B 88 19.403 -2.922 35.756 1.00 0.00 H ATOM 2052 N PHE B 89 17.582 -5.644 34.941 1.00 21.99 N ATOM 2053 CA PHE B 89 16.542 -6.666 34.984 1.00 21.26 C ATOM 2054 C PHE B 89 15.269 -6.160 34.295 1.00 22.86 C ATOM 2055 O PHE B 89 14.691 -6.861 33.447 1.00 22.16 O ATOM 2056 CB PHE B 89 16.239 -7.103 36.424 1.00 23.02 C ATOM 2057 CG PHE B 89 14.942 -7.866 36.519 1.00 22.30 C ATOM 2058 CD1 PHE B 89 14.853 -9.166 36.058 1.00 24.07 C ATOM 2059 CD2 PHE B 89 13.771 -7.233 36.905 1.00 22.78 C ATOM 2060 CE1 PHE B 89 13.638 -9.834 36.054 1.00 26.07 C ATOM 2061 CE2 PHE B 89 12.557 -7.915 36.903 1.00 24.26 C ATOM 2062 CZ PHE B 89 12.499 -9.215 36.478 1.00 24.91 C ATOM 2063 H PHE B 89 17.973 -5.288 35.837 1.00 0.00 H ATOM 2064 N MET B 90 14.862 -4.918 34.602 1.00 20.93 N ATOM 2065 CA MET B 90 13.652 -4.392 33.984 1.00 17.92 C ATOM 2066 C MET B 90 13.703 -4.508 32.494 1.00 20.28 C ATOM 2067 O MET B 90 12.702 -4.831 31.861 1.00 20.44 O ATOM 2068 CB MET B 90 13.469 -2.914 34.306 1.00 18.34 C ATOM 2069 CG MET B 90 13.287 -2.678 35.778 1.00 18.72 C ATOM 2070 SD MET B 90 12.945 -0.947 36.120 1.00 19.85 S ATOM 2071 CE MET B 90 13.210 -0.846 37.821 1.00 20.09 C ATOM 2072 H MET B 90 15.404 -4.338 35.273 1.00 0.00 H ATOM 2073 N TYR B 91 14.869 -4.178 31.931 1.00 18.68 N ATOM 2074 CA TYR B 91 15.019 -4.115 30.481 1.00 17.56 C ATOM 2075 C TYR B 91 15.488 -5.415 29.833 1.00 20.52 C ATOM 2076 O TYR B 91 15.643 -5.406 28.599 1.00 20.44 O ATOM 2077 CB TYR B 91 16.013 -3.005 30.147 1.00 19.14 C ATOM 2078 CG TYR B 91 15.417 -1.614 30.094 1.00 16.36 C ATOM 2079 CD1 TYR B 91 14.957 -1.082 28.891 1.00 17.56 C ATOM 2080 CD2 TYR B 91 15.396 -0.798 31.221 1.00 17.16 C ATOM 2081 CE1 TYR B 91 14.438 0.203 28.814 1.00 15.99 C ATOM 2082 CE2 TYR B 91 14.863 0.492 31.165 1.00 18.04 C ATOM 2083 CZ TYR B 91 14.394 0.989 29.955 1.00 16.71 C ATOM 2084 OH TYR B 91 13.973 2.293 29.886 1.00 17.15 O ATOM 2085 HH TYR B 91 13.671 2.493 28.965 1.00 0.00 H ATOM 2086 H TYR B 91 15.685 -3.962 32.538 1.00 0.00 H ATOM 2087 N THR B 92 15.748 -6.506 30.621 1.00 20.21 N ATOM 2088 CA THR B 92 16.286 -7.713 30.012 1.00 20.50 C ATOM 2089 C THR B 92 15.624 -9.019 30.425 1.00 24.12 C ATOM 2090 O THR B 92 15.909 -10.054 29.801 1.00 23.29 O ATOM 2091 CB THR B 92 17.808 -7.872 30.304 1.00 21.84 C ATOM 2092 OG1 THR B 92 17.995 -8.034 31.714 1.00 23.02 O ATOM 2093 CG2 THR B 92 18.662 -6.722 29.769 1.00 21.94 C ATOM 2094 HG1 THR B 92 17.645 -7.237 32.186 1.00 0.00 H ATOM 2095 H THR B 92 15.563 -6.471 31.644 1.00 0.00 H ATOM 2096 N SER B 93 14.874 -9.016 31.556 1.00 20.68 N ATOM 2097 CA SER B 93 14.281 -10.237 32.154 1.00 23.31 C ATOM 2098 C SER B 93 15.351 -11.095 32.831 1.00 26.74 C ATOM 2099 O SER B 93 15.070 -12.241 33.236 1.00 27.45 O ATOM 2100 CB SER B 93 13.532 -11.082 31.121 1.00 22.97 C ATOM 2101 OG SER B 93 12.595 -10.337 30.367 1.00 25.43 O ATOM 2102 HG SER B 93 12.145 -10.935 29.719 1.00 0.00 H ATOM 2103 H SER B 93 14.705 -8.106 32.030 1.00 0.00 H ATOM 2104 N ARG B 94 16.581 -10.583 32.924 1.00 23.97 N ATOM 2105 CA ARG B 94 17.727 -11.251 33.539 1.00 26.30 C ATOM 2106 C ARG B 94 18.183 -10.577 34.823 1.00 27.96 C ATOM 2107 O ARG B 94 18.464 -9.370 34.810 1.00 25.53 O ATOM 2108 CB ARG B 94 18.883 -11.410 32.551 1.00 27.71 C ATOM 2109 CG ARG B 94 18.494 -12.232 31.320 1.00 36.43 C ATOM 2110 CD ARG B 94 19.585 -12.266 30.277 1.00 54.50 C ATOM 2111 NE ARG B 94 19.205 -13.099 29.135 1.00 70.32 N ATOM 2112 CZ ARG B 94 19.958 -13.287 28.055 1.00 89.88 C ATOM 2113 NH1 ARG B 94 21.148 -12.706 27.955 1.00 79.58 N ATOM 2114 NH2 ARG B 94 19.528 -14.061 27.067 1.00 77.90 N ATOM 2115 HE ARG B 94 18.282 -13.577 29.171 1.00 0.00 H ATOM 2116 HH12 ARG B 94 21.731 -12.858 27.107 1.00 0.00 H ATOM 2117 HH11 ARG B 94 21.497 -12.099 28.724 1.00 0.00 H ATOM 2118 HH22 ARG B 94 20.120 -14.205 26.224 1.00 0.00 H ATOM 2119 HH21 ARG B 94 18.599 -14.523 27.135 1.00 0.00 H ATOM 2120 H ARG B 94 16.736 -9.634 32.528 1.00 0.00 H ATOM 2121 N LEU B 95 18.236 -11.348 35.930 1.00 27.07 N ATOM 2122 CA LEU B 95 18.579 -10.833 37.250 1.00 28.64 C ATOM 2123 C LEU B 95 19.908 -11.417 37.726 1.00 33.09 C ATOM 2124 O LEU B 95 20.052 -12.639 37.882 1.00 32.75 O ATOM 2125 CB LEU B 95 17.437 -11.147 38.216 1.00 28.55 C ATOM 2126 CG LEU B 95 17.579 -10.613 39.642 1.00 31.04 C ATOM 2127 CD1 LEU B 95 17.425 -9.088 39.678 1.00 29.57 C ATOM 2128 CD2 LEU B 95 16.556 -11.275 40.567 1.00 29.97 C ATOM 2129 H LEU B 95 18.021 -12.361 35.836 1.00 0.00 H ATOM 2130 N ASN B 96 20.898 -10.538 37.873 1.00 31.18 N ATOM 2131 CA ASN B 96 22.237 -10.904 38.300 1.00 33.36 C ATOM 2132 C ASN B 96 22.304 -10.957 39.817 1.00 38.32 C ATOM 2133 O ASN B 96 22.639 -9.950 40.453 1.00 38.20 O ATOM 2134 CB ASN B 96 23.281 -9.946 37.730 1.00 38.84 C ATOM 2135 CG ASN B 96 24.724 -10.394 37.848 1.00 64.45 C ATOM 2136 OD1 ASN B 96 25.054 -11.489 38.330 1.00 61.88 O ATOM 2137 ND2 ASN B 96 25.624 -9.554 37.367 1.00 59.36 N ATOM 2138 HD22 ASN B 96 25.323 -8.642 36.968 1.00 0.00 H ATOM 2139 HD21 ASN B 96 26.633 -9.805 37.388 1.00 0.00 H ATOM 2140 H ASN B 96 20.702 -9.537 37.671 1.00 0.00 H ATOM 2141 N LEU B 97 21.945 -12.122 40.398 1.00 37.86 N ATOM 2142 CA LEU B 97 21.989 -12.328 41.849 1.00 39.93 C ATOM 2143 C LEU B 97 23.224 -13.145 42.172 1.00 45.90 C ATOM 2144 O LEU B 97 23.413 -14.229 41.614 1.00 47.59 O ATOM 2145 CB LEU B 97 20.765 -13.113 42.354 1.00 40.97 C ATOM 2146 CG LEU B 97 19.426 -12.411 42.500 1.00 43.34 C ATOM 2147 CD1 LEU B 97 18.449 -13.303 43.265 1.00 43.93 C ATOM 2148 CD2 LEU B 97 19.556 -11.091 43.260 1.00 44.53 C ATOM 2149 H LEU B 97 21.625 -12.904 39.792 1.00 0.00 H ATOM 2150 N ARG B 98 24.045 -12.652 43.112 1.00 43.90 N ATOM 2151 CA ARG B 98 25.260 -13.335 43.576 1.00 45.20 C ATOM 2152 C ARG B 98 25.246 -13.304 45.099 1.00 48.59 C ATOM 2153 O ARG B 98 24.372 -12.658 45.672 1.00 47.12 O ATOM 2154 CB ARG B 98 26.516 -12.624 43.040 1.00 47.26 C ATOM 2155 CG ARG B 98 26.666 -12.694 41.524 1.00 60.24 C ATOM 2156 CD ARG B 98 28.063 -12.306 41.092 1.00 76.67 C ATOM 2157 NE ARG B 98 28.138 -10.900 40.704 1.00 82.93 N ATOM 2158 CZ ARG B 98 28.063 -10.465 39.451 1.00 93.79 C ATOM 2159 NH1 ARG B 98 27.919 -11.326 38.449 1.00 81.37 N ATOM 2160 NH2 ARG B 98 28.140 -9.168 39.188 1.00 76.47 N ATOM 2161 HE ARG B 98 28.258 -10.193 41.458 1.00 0.00 H ATOM 2162 HH12 ARG B 98 27.861 -10.980 37.470 1.00 0.00 H ATOM 2163 HH11 ARG B 98 27.864 -12.346 38.644 1.00 0.00 H ATOM 2164 HH22 ARG B 98 28.081 -8.832 38.205 1.00 0.00 H ATOM 2165 HH21 ARG B 98 28.260 -8.486 39.964 1.00 0.00 H ATOM 2166 H ARG B 98 23.807 -11.733 43.537 1.00 0.00 H ATOM 2167 N GLU B 99 26.186 -13.999 45.770 1.00 48.76 N ATOM 2168 CA GLU B 99 26.224 -13.957 47.242 1.00 50.13 C ATOM 2169 C GLU B 99 26.688 -12.583 47.747 1.00 51.09 C ATOM 2170 O GLU B 99 26.201 -12.099 48.767 1.00 50.72 O ATOM 2171 CB GLU B 99 27.105 -15.080 47.812 1.00 54.48 C ATOM 2172 CG GLU B 99 26.314 -16.310 48.225 1.00 69.39 C ATOM 2173 CD GLU B 99 25.363 -16.099 49.389 1.00 97.00 C ATOM 2174 OE1 GLU B 99 24.139 -16.006 49.144 1.00 97.55 O ATOM 2175 OE2 GLU B 99 25.842 -16.004 50.542 1.00 95.96 O ATOM 2176 H GLU B 99 26.885 -14.565 45.248 1.00 0.00 H ATOM 2177 N GLY B 100 27.600 -11.967 46.999 1.00 47.77 N ATOM 2178 CA GLY B 100 28.154 -10.653 47.297 1.00 48.15 C ATOM 2179 C GLY B 100 27.224 -9.477 47.058 1.00 50.51 C ATOM 2180 O GLY B 100 27.533 -8.369 47.502 1.00 50.47 O ATOM 2181 H GLY B 100 27.939 -12.456 46.146 1.00 0.00 H ATOM 2182 N ASN B 101 26.083 -9.691 46.367 1.00 45.36 N ATOM 2183 CA ASN B 101 25.140 -8.604 46.045 1.00 42.44 C ATOM 2184 C ASN B 101 23.690 -8.859 46.515 1.00 43.17 C ATOM 2185 O ASN B 101 22.882 -7.929 46.476 1.00 38.86 O ATOM 2186 CB ASN B 101 25.186 -8.274 44.514 1.00 39.93 C ATOM 2187 CG ASN B 101 24.495 -9.235 43.554 1.00 46.89 C ATOM 2188 OD1 ASN B 101 23.569 -9.971 43.904 1.00 38.51 O ATOM 2189 ND2 ASN B 101 24.876 -9.195 42.273 1.00 39.81 N ATOM 2190 HD22 ASN B 101 25.657 -8.573 41.982 1.00 0.00 H ATOM 2191 HD21 ASN B 101 24.391 -9.786 41.568 1.00 0.00 H ATOM 2192 H ASN B 101 25.862 -10.657 46.051 1.00 0.00 H ATOM 2193 N ILE B 102 23.362 -10.096 46.952 1.00 39.89 N ATOM 2194 CA ILE B 102 21.991 -10.507 47.279 1.00 39.40 C ATOM 2195 C ILE B 102 21.293 -9.569 48.265 1.00 40.37 C ATOM 2196 O ILE B 102 20.130 -9.228 48.027 1.00 36.84 O ATOM 2197 CB ILE B 102 21.846 -11.997 47.690 1.00 45.24 C ATOM 2198 CG1 ILE B 102 20.378 -12.384 48.045 1.00 46.05 C ATOM 2199 CG2 ILE B 102 22.815 -12.399 48.793 1.00 47.08 C ATOM 2200 CD1 ILE B 102 19.400 -12.442 46.839 1.00 48.53 C ATOM 2201 H ILE B 102 24.124 -10.795 47.063 1.00 0.00 H ATOM 2202 N MET B 103 21.982 -9.159 49.340 1.00 37.80 N ATOM 2203 CA MET B 103 21.372 -8.296 50.329 1.00 37.29 C ATOM 2204 C MET B 103 21.059 -6.917 49.785 1.00 38.21 C ATOM 2205 O MET B 103 19.917 -6.439 49.938 1.00 36.02 O ATOM 2206 CB MET B 103 22.193 -8.250 51.617 1.00 40.91 C ATOM 2207 CG MET B 103 22.361 -9.616 52.280 1.00 45.86 C ATOM 2208 SD MET B 103 20.952 -10.779 52.330 1.00 48.52 S ATOM 2209 CE MET B 103 19.545 -9.655 52.607 1.00 45.09 C ATOM 2210 H MET B 103 22.968 -9.465 49.465 1.00 0.00 H ATOM 2211 N ALA B 104 22.021 -6.301 49.069 1.00 36.69 N ATOM 2212 CA ALA B 104 21.784 -4.992 48.450 1.00 35.27 C ATOM 2213 C ALA B 104 20.666 -5.063 47.395 1.00 35.60 C ATOM 2214 O ALA B 104 19.828 -4.168 47.360 1.00 33.70 O ATOM 2215 CB ALA B 104 23.058 -4.443 47.835 1.00 36.39 C ATOM 2216 H ALA B 104 22.946 -6.761 48.954 1.00 0.00 H ATOM 2217 N VAL B 105 20.613 -6.140 46.569 1.00 32.81 N ATOM 2218 CA VAL B 105 19.561 -6.282 45.544 1.00 29.24 C ATOM 2219 C VAL B 105 18.159 -6.486 46.163 1.00 30.86 C ATOM 2220 O VAL B 105 17.187 -5.870 45.746 1.00 27.59 O ATOM 2221 CB VAL B 105 19.896 -7.419 44.547 1.00 33.90 C ATOM 2222 CG1 VAL B 105 18.768 -7.587 43.528 1.00 33.15 C ATOM 2223 CG2 VAL B 105 21.218 -7.149 43.823 1.00 34.05 C ATOM 2224 H VAL B 105 21.333 -6.885 46.661 1.00 0.00 H ATOM 2225 N MET B 106 18.049 -7.368 47.164 1.00 30.41 N ATOM 2226 CA MET B 106 16.763 -7.614 47.815 1.00 30.65 C ATOM 2227 C MET B 106 16.214 -6.312 48.463 1.00 30.92 C ATOM 2228 O MET B 106 15.030 -5.998 48.303 1.00 28.34 O ATOM 2229 CB MET B 106 16.926 -8.715 48.874 1.00 35.48 C ATOM 2230 CG MET B 106 15.641 -9.101 49.550 1.00 39.74 C ATOM 2231 SD MET B 106 15.767 -10.683 50.386 1.00 46.71 S ATOM 2232 CE MET B 106 14.164 -11.193 50.254 1.00 42.84 C ATOM 2233 H MET B 106 18.892 -7.887 47.484 1.00 0.00 H ATOM 2234 N ALA B 107 17.058 -5.599 49.238 1.00 29.95 N ATOM 2235 CA ALA B 107 16.626 -4.374 49.914 1.00 29.14 C ATOM 2236 C ALA B 107 16.245 -3.318 48.899 1.00 29.82 C ATOM 2237 O ALA B 107 15.255 -2.608 49.109 1.00 28.05 O ATOM 2238 CB ALA B 107 17.709 -3.856 50.844 1.00 30.60 C ATOM 2239 H ALA B 107 18.038 -5.927 49.358 1.00 0.00 H ATOM 2240 N THR B 108 16.934 -3.285 47.739 1.00 28.20 N ATOM 2241 CA THR B 108 16.575 -2.300 46.709 1.00 24.45 C ATOM 2242 C THR B 108 15.246 -2.713 46.050 1.00 26.38 C ATOM 2243 O THR B 108 14.415 -1.841 45.797 1.00 24.82 O ATOM 2244 CB THR B 108 17.757 -2.074 45.734 1.00 28.20 C ATOM 2245 OG1 THR B 108 18.981 -1.859 46.444 1.00 28.10 O ATOM 2246 CG2 THR B 108 17.516 -0.943 44.717 1.00 24.94 C ATOM 2247 HG1 THR B 108 19.180 -2.651 47.004 1.00 0.00 H ATOM 2248 H THR B 108 17.714 -3.953 47.575 1.00 0.00 H ATOM 2249 N ALA B 109 15.018 -4.058 45.802 1.00 24.12 N ATOM 2250 CA ALA B 109 13.753 -4.481 45.185 1.00 23.35 C ATOM 2251 C ALA B 109 12.545 -4.226 46.095 1.00 25.49 C ATOM 2252 O ALA B 109 11.436 -4.019 45.594 1.00 24.66 O ATOM 2253 CB ALA B 109 13.834 -5.958 44.799 1.00 25.79 C ATOM 2254 H ALA B 109 15.739 -4.765 46.052 1.00 0.00 H ATOM 2255 N MET B 110 12.731 -4.305 47.433 1.00 24.37 N ATOM 2256 CA MET B 110 11.624 -3.994 48.330 1.00 24.29 C ATOM 2257 C MET B 110 11.290 -2.498 48.179 1.00 26.51 C ATOM 2258 O MET B 110 10.114 -2.115 48.092 1.00 24.09 O ATOM 2259 CB MET B 110 12.071 -4.226 49.755 1.00 26.62 C ATOM 2260 CG MET B 110 12.223 -5.694 50.109 1.00 29.60 C ATOM 2261 SD MET B 110 12.915 -5.963 51.763 1.00 34.15 S ATOM 2262 CE MET B 110 11.711 -5.119 52.717 1.00 33.15 C ATOM 2263 H MET B 110 13.655 -4.585 47.818 1.00 0.00 H ATOM 2264 N TYR B 111 12.349 -1.654 48.163 1.00 22.79 N ATOM 2265 CA TYR B 111 12.172 -0.200 48.034 1.00 22.20 C ATOM 2266 C TYR B 111 11.481 0.143 46.690 1.00 23.24 C ATOM 2267 O TYR B 111 10.563 0.974 46.643 1.00 21.91 O ATOM 2268 CB TYR B 111 13.530 0.526 48.144 1.00 24.74 C ATOM 2269 CG TYR B 111 13.503 2.008 47.806 1.00 23.33 C ATOM 2270 CD1 TYR B 111 12.859 2.922 48.631 1.00 24.31 C ATOM 2271 CD2 TYR B 111 14.095 2.490 46.642 1.00 22.58 C ATOM 2272 CE1 TYR B 111 12.818 4.280 48.311 1.00 25.11 C ATOM 2273 CE2 TYR B 111 14.116 3.849 46.347 1.00 22.38 C ATOM 2274 CZ TYR B 111 13.441 4.733 47.161 1.00 25.31 C ATOM 2275 OH TYR B 111 13.467 6.074 46.883 1.00 25.11 O ATOM 2276 HH TYR B 111 12.935 6.561 47.562 1.00 0.00 H ATOM 2277 H TYR B 111 13.310 -2.043 48.244 1.00 0.00 H ATOM 2278 N LEU B 112 11.909 -0.525 45.616 1.00 20.41 N ATOM 2279 CA LEU B 112 11.305 -0.320 44.314 1.00 20.53 C ATOM 2280 C LEU B 112 9.935 -0.997 44.175 1.00 23.48 C ATOM 2281 O LEU B 112 9.261 -0.812 43.157 1.00 21.81 O ATOM 2282 CB LEU B 112 12.289 -0.759 43.216 1.00 20.83 C ATOM 2283 CG LEU B 112 13.579 0.090 43.037 1.00 23.55 C ATOM 2284 CD1 LEU B 112 14.405 -0.430 41.861 1.00 22.53 C ATOM 2285 CD2 LEU B 112 13.273 1.587 42.838 1.00 22.50 C ATOM 2286 H LEU B 112 12.690 -1.205 45.715 1.00 0.00 H ATOM 2287 N GLN B 113 9.522 -1.822 45.168 1.00 22.32 N ATOM 2288 CA GLN B 113 8.225 -2.512 45.120 1.00 22.82 C ATOM 2289 C GLN B 113 8.155 -3.396 43.900 1.00 25.62 C ATOM 2290 O GLN B 113 7.271 -3.278 43.041 1.00 23.00 O ATOM 2291 CB GLN B 113 7.017 -1.569 45.231 1.00 23.89 C ATOM 2292 CG GLN B 113 7.097 -0.666 46.446 1.00 24.83 C ATOM 2293 CD GLN B 113 6.152 0.525 46.420 1.00 26.42 C ATOM 2294 OE1 GLN B 113 6.455 1.615 46.941 1.00 30.60 O ATOM 2295 NE2 GLN B 113 4.988 0.339 45.834 1.00 27.78 N ATOM 2296 HE22 GLN B 113 4.762 -0.582 45.407 1.00 0.00 H ATOM 2297 HE21 GLN B 113 4.294 1.113 45.798 1.00 0.00 H ATOM 2298 H GLN B 113 10.142 -1.971 45.989 1.00 0.00 H ATOM 2299 N MET B 114 9.150 -4.293 43.814 1.00 24.66 N ATOM 2300 CA MET B 114 9.270 -5.254 42.715 1.00 24.96 C ATOM 2301 C MET B 114 9.079 -6.620 43.362 1.00 33.20 C ATOM 2302 O MET B 114 10.059 -7.297 43.699 1.00 31.31 O ATOM 2303 CB MET B 114 10.628 -5.118 42.025 1.00 25.20 C ATOM 2304 CG MET B 114 10.724 -3.862 41.192 1.00 23.80 C ATOM 2305 SD MET B 114 12.390 -3.496 40.639 1.00 23.90 S ATOM 2306 CE MET B 114 12.505 -4.630 39.185 1.00 23.35 C ATOM 2307 H MET B 114 9.870 -4.306 44.564 1.00 0.00 H ATOM 2308 N GLU B 115 7.799 -6.948 43.673 1.00 33.87 N ATOM 2309 CA GLU B 115 7.359 -8.143 44.411 1.00 35.25 C ATOM 2310 C GLU B 115 7.924 -9.448 43.873 1.00 39.41 C ATOM 2311 O GLU B 115 8.427 -10.236 44.669 1.00 38.42 O ATOM 2312 CB GLU B 115 5.819 -8.208 44.511 1.00 37.28 C ATOM 2313 CG GLU B 115 5.277 -9.209 45.532 1.00 54.16 C ATOM 2314 CD GLU B 115 5.680 -9.029 46.986 1.00 85.18 C ATOM 2315 OE1 GLU B 115 5.619 -7.883 47.489 1.00 90.81 O ATOM 2316 OE2 GLU B 115 6.017 -10.046 47.635 1.00 79.24 O ATOM 2317 H GLU B 115 7.057 -6.291 43.359 1.00 0.00 H ATOM 2318 N HIS B 116 7.855 -9.677 42.549 1.00 38.07 N ATOM 2319 CA HIS B 116 8.374 -10.902 41.923 1.00 39.32 C ATOM 2320 C HIS B 116 9.869 -11.106 42.222 1.00 39.04 C ATOM 2321 O HIS B 116 10.274 -12.225 42.521 1.00 38.38 O ATOM 2322 CB HIS B 116 8.160 -10.882 40.402 1.00 41.51 C ATOM 2323 CG HIS B 116 6.742 -11.060 39.957 1.00 47.14 C ATOM 2324 ND1 HIS B 116 6.247 -12.307 39.610 1.00 51.43 N ATOM 2325 CD2 HIS B 116 5.778 -10.132 39.743 1.00 49.61 C ATOM 2326 CE1 HIS B 116 4.995 -12.104 39.230 1.00 51.40 C ATOM 2327 NE2 HIS B 116 4.667 -10.812 39.292 1.00 50.42 N ATOM 2328 H HIS B 116 7.415 -8.956 41.942 1.00 0.00 H ATOM 2329 N VAL B 117 10.680 -10.029 42.128 1.00 32.01 N ATOM 2330 CA VAL B 117 12.127 -10.017 42.384 1.00 30.06 C ATOM 2331 C VAL B 117 12.382 -10.260 43.863 1.00 33.46 C ATOM 2332 O VAL B 117 13.252 -11.066 44.190 1.00 34.07 O ATOM 2333 CB VAL B 117 12.829 -8.723 41.869 1.00 31.31 C ATOM 2334 CG1 VAL B 117 14.272 -8.638 42.366 1.00 31.37 C ATOM 2335 CG2 VAL B 117 12.780 -8.653 40.345 1.00 29.69 C ATOM 2336 H VAL B 117 10.241 -9.128 41.850 1.00 0.00 H ATOM 2337 N VAL B 118 11.614 -9.611 44.746 1.00 30.30 N ATOM 2338 CA VAL B 118 11.751 -9.831 46.193 1.00 30.42 C ATOM 2339 C VAL B 118 11.537 -11.319 46.544 1.00 35.06 C ATOM 2340 O VAL B 118 12.373 -11.913 47.241 1.00 34.41 O ATOM 2341 CB VAL B 118 10.816 -8.901 47.017 1.00 33.55 C ATOM 2342 CG1 VAL B 118 10.790 -9.287 48.499 1.00 34.29 C ATOM 2343 CG2 VAL B 118 11.230 -7.446 46.864 1.00 32.17 C ATOM 2344 H VAL B 118 10.903 -8.935 44.400 1.00 0.00 H ATOM 2345 N ASP B 119 10.454 -11.925 45.992 1.00 34.45 N ATOM 2346 CA ASP B 119 10.132 -13.342 46.215 1.00 36.66 C ATOM 2347 C ASP B 119 11.260 -14.227 45.685 1.00 38.03 C ATOM 2348 O ASP B 119 11.580 -15.238 46.323 1.00 37.90 O ATOM 2349 CB ASP B 119 8.794 -13.732 45.558 1.00 39.63 C ATOM 2350 CG ASP B 119 7.569 -13.007 46.093 1.00 58.86 C ATOM 2351 OD1 ASP B 119 7.434 -12.895 47.336 1.00 61.69 O ATOM 2352 OD2 ASP B 119 6.715 -12.601 45.273 1.00 68.97 O ATOM 2353 H ASP B 119 9.825 -11.362 45.385 1.00 0.00 H ATOM 2354 N THR B 120 11.855 -13.864 44.520 1.00 36.04 N ATOM 2355 CA THR B 120 12.968 -14.620 43.931 1.00 34.59 C ATOM 2356 C THR B 120 14.226 -14.500 44.800 1.00 39.74 C ATOM 2357 O THR B 120 14.894 -15.514 45.026 1.00 41.18 O ATOM 2358 CB THR B 120 13.157 -14.213 42.448 1.00 38.43 C ATOM 2359 OG1 THR B 120 11.958 -14.542 41.742 1.00 38.54 O ATOM 2360 CG2 THR B 120 14.360 -14.896 41.782 1.00 33.14 C ATOM 2361 HG1 THR B 120 11.197 -14.048 42.138 1.00 0.00 H ATOM 2362 H THR B 120 11.509 -13.017 44.025 1.00 0.00 H ATOM 2363 N CYS B 121 14.475 -13.303 45.395 1.00 37.23 N ATOM 2364 CA CYS B 121 15.602 -13.115 46.314 1.00 36.64 C ATOM 2365 C CYS B 121 15.425 -14.029 47.519 1.00 41.02 C ATOM 2366 O CYS B 121 16.402 -14.642 47.935 1.00 41.26 O ATOM 2367 CB CYS B 121 15.742 -11.659 46.747 1.00 35.55 C ATOM 2368 SG CYS B 121 16.350 -10.554 45.443 1.00 37.75 S ATOM 2369 H CYS B 121 13.848 -12.498 45.193 1.00 0.00 H ATOM 2370 N ARG B 122 14.169 -14.153 48.038 1.00 38.76 N ATOM 2371 CA ARG B 122 13.804 -15.015 49.183 1.00 39.65 C ATOM 2372 C ARG B 122 14.168 -16.479 48.839 1.00 43.97 C ATOM 2373 O ARG B 122 14.708 -17.203 49.676 1.00 45.76 O ATOM 2374 CB ARG B 122 12.296 -14.892 49.506 1.00 40.57 C ATOM 2375 CG ARG B 122 11.868 -13.563 50.147 1.00 43.52 C ATOM 2376 CD ARG B 122 10.399 -13.513 50.534 1.00 44.05 C ATOM 2377 NE ARG B 122 10.148 -14.314 51.735 1.00 57.11 N ATOM 2378 CZ ARG B 122 9.193 -14.064 52.626 1.00 68.69 C ATOM 2379 NH1 ARG B 122 8.377 -13.029 52.465 1.00 52.72 N ATOM 2380 NH2 ARG B 122 9.049 -14.845 53.688 1.00 58.46 N ATOM 2381 HE ARG B 122 10.761 -15.137 51.903 1.00 0.00 H ATOM 2382 HH12 ARG B 122 7.632 -12.840 53.166 1.00 0.00 H ATOM 2383 HH11 ARG B 122 8.482 -12.407 51.638 1.00 0.00 H ATOM 2384 HH22 ARG B 122 8.301 -14.646 54.382 1.00 0.00 H ATOM 2385 HH21 ARG B 122 9.684 -15.657 53.827 1.00 0.00 H ATOM 2386 H ARG B 122 13.410 -13.598 47.594 1.00 0.00 H ATOM 2387 N LYS B 123 13.921 -16.884 47.575 1.00 41.15 N ATOM 2388 CA LYS B 123 14.277 -18.223 47.082 1.00 42.93 C ATOM 2389 C LYS B 123 15.812 -18.393 47.014 1.00 46.77 C ATOM 2390 O LYS B 123 16.311 -19.452 47.385 1.00 43.91 O ATOM 2391 CB LYS B 123 13.606 -18.541 45.729 1.00 45.23 C ATOM 2392 CG LYS B 123 12.078 -18.556 45.794 1.00 51.07 C ATOM 2393 CD LYS B 123 11.424 -19.012 44.513 1.00 62.71 C ATOM 2394 CE LYS B 123 9.929 -19.118 44.688 1.00 78.24 C ATOM 2395 NZ LYS B 123 9.292 -19.859 43.568 1.00 91.08 N ATOM 2396 HZ1 LYS B 123 9.482 -19.363 42.674 1.00 0.00 H ATOM 2397 HZ2 LYS B 123 9.685 -20.821 43.523 1.00 0.00 H ATOM 2398 HZ3 LYS B 123 8.265 -19.909 43.727 1.00 0.00 H ATOM 2399 H LYS B 123 13.459 -16.220 46.921 1.00 0.00 H ATOM 2400 N PHE B 124 16.559 -17.331 46.628 1.00 44.95 N ATOM 2401 CA PHE B 124 18.028 -17.360 46.539 1.00 46.38 C ATOM 2402 C PHE B 124 18.689 -17.565 47.903 1.00 53.61 C ATOM 2403 O PHE B 124 19.528 -18.456 48.034 1.00 56.38 O ATOM 2404 CB PHE B 124 18.576 -16.109 45.827 1.00 46.71 C ATOM 2405 CG PHE B 124 20.039 -16.175 45.467 1.00 49.17 C ATOM 2406 CD1 PHE B 124 21.011 -15.687 46.334 1.00 54.06 C ATOM 2407 CD2 PHE B 124 20.448 -16.710 44.250 1.00 51.78 C ATOM 2408 CE1 PHE B 124 22.367 -15.765 46.006 1.00 56.49 C ATOM 2409 CE2 PHE B 124 21.799 -16.759 43.913 1.00 55.83 C ATOM 2410 CZ PHE B 124 22.750 -16.288 44.790 1.00 55.57 C ATOM 2411 H PHE B 124 16.068 -16.448 46.381 1.00 0.00 H ATOM 2412 N ILE B 125 18.309 -16.760 48.909 1.00 48.04 N ATOM 2413 CA ILE B 125 18.835 -16.892 50.278 1.00 48.91 C ATOM 2414 C ILE B 125 18.588 -18.325 50.817 1.00 55.37 C ATOM 2415 O ILE B 125 19.491 -18.931 51.409 1.00 57.23 O ATOM 2416 CB ILE B 125 18.303 -15.753 51.213 1.00 49.74 C ATOM 2417 CG1 ILE B 125 19.058 -14.444 50.917 1.00 48.51 C ATOM 2418 CG2 ILE B 125 18.436 -16.134 52.719 1.00 52.99 C ATOM 2419 CD1 ILE B 125 18.275 -13.160 51.147 1.00 55.69 C ATOM 2420 H ILE B 125 17.614 -16.012 48.713 1.00 0.00 H ATOM 2421 N LYS B 126 17.391 -18.879 50.530 1.00 51.78 N ATOM 2422 CA LYS B 126 16.940 -20.216 50.934 1.00 53.72 C ATOM 2423 C LYS B 126 17.774 -21.340 50.294 1.00 59.42 C ATOM 2424 O LYS B 126 18.001 -22.374 50.930 1.00 61.00 O ATOM 2425 CB LYS B 126 15.453 -20.366 50.559 1.00 55.95 C ATOM 2426 CG LYS B 126 14.742 -21.584 51.125 1.00 63.13 C ATOM 2427 CD LYS B 126 13.247 -21.447 50.902 1.00 70.56 C ATOM 2428 CE LYS B 126 12.462 -22.516 51.617 1.00 80.66 C ATOM 2429 NZ LYS B 126 10.999 -22.278 51.505 1.00 87.62 N ATOM 2430 HZ1 LYS B 126 10.766 -21.357 51.928 1.00 0.00 H ATOM 2431 HZ2 LYS B 126 10.724 -22.280 50.502 1.00 0.00 H ATOM 2432 HZ3 LYS B 126 10.487 -23.031 52.007 1.00 0.00 H ATOM 2433 H LYS B 126 16.727 -18.306 49.971 1.00 0.00 H ATOM 2434 N ALA B 127 18.210 -21.151 49.029 1.00 55.28 N ATOM 2435 CA ALA B 127 19.001 -22.166 48.331 1.00 56.77 C ATOM 2436 C ALA B 127 20.490 -22.156 48.690 1.00 64.07 C ATOM 2437 O ALA B 127 21.144 -23.197 48.598 1.00 67.89 O ATOM 2438 CB ALA B 127 18.821 -22.024 46.833 1.00 55.86 C ATOM 2439 H ALA B 127 17.978 -20.263 48.540 1.00 0.00 H ATOM 2440 N SER B 128 21.024 -20.993 49.076 1.00 59.86 N ATOM 2441 CA SER B 128 22.422 -20.801 49.466 1.00 91.70 C ATOM 2442 C SER B 128 22.680 -21.415 50.840 1.00123.98 C ATOM 2443 O SER B 128 23.781 -21.891 51.102 1.00 90.87 O ATOM 2444 CB SER B 128 22.766 -19.314 49.486 1.00 93.10 C ATOM 2445 OG SER B 128 24.135 -19.094 49.787 1.00102.66 O ATOM 2446 HG SER B 128 24.319 -18.121 49.791 1.00 0.00 H ATOM 2447 H SER B 128 20.399 -20.162 49.101 1.00 0.00 H TER 2448 SER B 128 HETATM 2449 O HOH 1 14.119 17.019 17.237 1.00 28.80 O HETATM 2450 O HOH 2 8.546 11.402 24.158 1.00 30.36 O HETATM 2451 O HOH 3 -8.111 6.711 19.331 1.00 38.54 O HETATM 2452 O HOH 4 -4.218 6.817 6.409 1.00 32.17 O HETATM 2453 O HOH 5 4.471 7.721 4.621 1.00 36.38 O HETATM 2454 O HOH 6 7.805 6.922 23.924 1.00 24.10 O HETATM 2455 O HOH 7 5.226 14.146 22.335 1.00 36.43 O HETATM 2456 O HOH 8 -4.556 -0.228 24.646 1.00 31.85 O HETATM 2457 O HOH 9 -10.721 1.350 12.164 1.00 37.74 O HETATM 2458 O HOH 10 -4.172 3.551 20.822 1.00 27.35 O HETATM 2459 O HOH 11 15.862 15.136 20.745 1.00 34.80 O HETATM 2460 O HOH 12 8.835 -6.484 27.516 1.00 82.78 O HETATM 2461 O HOH 13 -10.896 11.745 13.999 1.00 31.12 O HETATM 2462 O HOH 14 -8.965 4.807 29.788 1.00 44.52 O HETATM 2463 O HOH 15 5.547 10.701 27.127 1.00 31.64 O HETATM 2464 O HOH 16 -3.161 16.002 10.790 1.00 39.06 O HETATM 2465 O HOH 17 1.973 -1.675 1.299 1.00 40.12 O HETATM 2466 O HOH 18 16.224 7.270 9.652 1.00 37.81 O HETATM 2467 O HOH 19 20.242 -16.393 31.502 1.00 39.44 O HETATM 2468 O HOH 20 20.484 -8.191 32.924 1.00 29.22 O HETATM 2469 O HOH 21 3.803 15.499 11.321 1.00 46.93 O HETATM 2470 O HOH 22 -6.083 11.805 19.482 1.00 39.28 O HETATM 2471 O HOH 23 7.360 1.909 4.186 1.00 28.97 O HETATM 2472 O HOH 24 -7.210 4.828 -3.691 1.00 32.81 O HETATM 2473 O HOH 25 -3.534 9.735 7.141 1.00 32.73 O HETATM 2474 O HOH 26 -3.678 6.414 24.448 1.00 33.92 O HETATM 2475 O HOH 27 2.990 -10.728 25.019 1.00 27.11 O HETATM 2476 O HOH 28 -6.296 12.645 7.875 1.00 42.28 O HETATM 2477 O HOH 29 -12.659 5.042 10.039 1.00 32.43 O HETATM 2478 O HOH 30 8.317 -3.704 4.072 1.00 35.88 O HETATM 2479 O HOH 31 7.895 -13.021 28.739 1.00 29.22 O HETATM 2480 O HOH 32 8.512 13.369 22.289 1.00 45.94 O HETATM 2481 O HOH 33 10.803 -12.602 29.765 1.00 23.41 O HETATM 2482 O HOH 34 0.512 13.945 20.582 1.00 32.65 O HETATM 2483 O HOH 35 8.908 -9.473 36.531 1.00 41.00 O HETATM 2484 O HOH 36 18.955 14.410 10.564 1.00 42.00 O HETATM 2485 O HOH 37 -0.156 -7.183 26.191 1.00 20.09 O HETATM 2486 O HOH 38 -12.649 -14.110 7.705 1.00 51.69 O HETATM 2487 O HOH 39 -4.022 -7.897 16.297 1.00 23.60 O HETATM 2488 O HOH 40 1.749 -9.240 26.929 1.00 26.44 O HETATM 2489 O HOH 41 6.830 -5.943 15.575 1.00 28.02 O HETATM 2490 O HOH 42 24.953 -19.510 31.399 1.00 37.72 O HETATM 2491 O HOH 43 -7.490 -17.056 11.216 1.00 43.38 O HETATM 2492 O HOH 44 3.403 13.243 9.128 1.00 33.58 O HETATM 2493 O HOH 45 11.910 16.460 16.017 1.00 20.00 O HETATM 2494 O HOH 46 2.727 -6.126 36.802 1.00 33.96 O HETATM 2495 O HOH 47 0.731 11.318 30.253 1.00 18.74 O HETATM 2496 O HOH 48 -5.955 6.558 21.008 1.00 40.12 O HETATM 2497 O HOH 49 20.050 -0.499 14.099 1.00 41.43 O HETATM 2498 O HOH 50 1.360 13.810 23.182 1.00 40.90 O HETATM 2499 O HOH 51 19.956 8.089 15.736 1.00 30.54 O HETATM 2500 O HOH 52 -2.748 -6.479 26.573 1.00 32.70 O HETATM 2501 O HOH 53 20.495 9.567 18.445 1.00 42.72 O HETATM 2502 O HOH 54 -3.540 10.149 31.194 1.00 35.78 O HETATM 2503 O HOH 55 7.625 -0.842 2.448 1.00 52.06 O HETATM 2504 O HOH 56 -6.616 -6.734 17.188 1.00 39.20 O HETATM 2505 O HOH 57 -11.129 6.519 8.312 1.00 31.16 O HETATM 2506 O HOH 58 -5.030 -3.840 22.585 1.00 31.24 O HETATM 2507 O HOH 59 3.591 12.706 27.219 1.00 54.46 O HETATM 2508 O HOH 60 -1.481 8.526 -1.082 1.00 36.58 O HETATM 2509 O HOH 61 -8.871 -6.797 3.465 1.00 37.72 O HETATM 2510 O HOH 62 -0.145 11.719 27.714 1.00 42.15 O HETATM 2511 O HOH 63 -11.008 0.794 7.855 1.00 42.72 O HETATM 2512 O HOH 64 8.132 -11.915 35.667 1.00 45.22 O HETATM 2513 O HOH 65 6.852 -7.870 12.900 1.00 30.55 O HETATM 2514 O HOH 66 -8.221 12.575 11.627 1.00 54.37 O HETATM 2515 O HOH 67 -9.569 -17.463 8.182 1.00 53.52 O HETATM 2516 O HOH 68 -5.721 -6.380 21.812 1.00 38.94 O HETATM 2517 O HOH 69 7.864 -6.373 2.902 1.00 49.14 O HETATM 2518 O HOH 70 2.134 17.019 35.528 1.00 28.80 O HETATM 2519 O HOH 71 7.707 11.402 28.607 1.00 30.36 O HETATM 2520 O HOH 72 24.364 6.711 33.434 1.00 38.54 O HETATM 2521 O HOH 73 20.471 6.817 46.356 1.00 32.17 O HETATM 2522 O HOH 74 11.782 7.721 48.144 1.00 36.38 O HETATM 2523 O HOH 75 8.448 6.922 28.841 1.00 24.10 O HETATM 2524 O HOH 76 11.027 14.146 30.430 1.00 36.43 O HETATM 2525 O HOH 77 20.809 -0.228 28.119 1.00 31.85 O HETATM 2526 O HOH 78 26.974 1.350 40.601 1.00 37.74 O HETATM 2527 O HOH 79 20.425 3.551 31.943 1.00 27.35 O HETATM 2528 O HOH 80 0.391 15.136 32.020 1.00 34.80 O HETATM 2529 O HOH 81 7.418 -6.484 25.249 1.00 82.78 O HETATM 2530 O HOH 82 27.149 11.745 38.766 1.00 31.12 O HETATM 2531 O HOH 83 25.218 4.807 22.977 1.00 44.52 O HETATM 2532 O HOH 84 10.706 10.701 25.638 1.00 31.64 O HETATM 2533 O HOH 85 19.414 16.002 41.975 1.00 39.06 O HETATM 2534 O HOH 86 14.280 -1.675 51.466 1.00 40.12 O HETATM 2535 O HOH 87 0.029 7.270 43.113 1.00 37.81 O HETATM 2536 O HOH 88 -3.989 -16.393 21.263 1.00 39.44 O HETATM 2537 O HOH 89 -4.231 -8.191 19.841 1.00 29.22 O HETATM 2538 O HOH 90 12.450 15.499 41.444 1.00 46.93 O HETATM 2539 O HOH 91 22.336 11.805 33.283 1.00 39.28 O HETATM 2540 O HOH 92 8.893 1.909 48.579 1.00 28.97 O HETATM 2541 O HOH 93 23.463 4.828 56.456 1.00 32.81 O HETATM 2542 O HOH 94 19.787 9.735 45.624 1.00 32.73 O HETATM 2543 O HOH 95 19.931 6.414 28.317 1.00 33.92 O HETATM 2544 O HOH 96 13.263 -10.728 27.746 1.00 27.11 O HETATM 2545 O HOH 97 22.549 12.645 44.890 1.00 42.28 O HETATM 2546 O HOH 98 28.912 5.042 42.726 1.00 32.43 O HETATM 2547 O HOH 99 7.936 -3.704 48.693 1.00 35.88 O HETATM 2548 O HOH 100 8.358 -13.021 24.026 1.00 29.22 O HETATM 2549 O HOH 101 7.741 13.369 30.476 1.00 45.94 O HETATM 2550 O HOH 102 5.450 -12.602 23.000 1.00 23.41 O HETATM 2551 O HOH 103 15.741 13.945 32.183 1.00 32.65 O HETATM 2552 O HOH 104 7.345 -9.473 16.234 1.00 41.00 O HETATM 2553 O HOH 105 -2.702 14.410 42.201 1.00 42.00 O HETATM 2554 O HOH 106 16.409 -7.183 26.574 1.00 20.09 O HETATM 2555 O HOH 107 28.902 -14.110 45.060 1.00 51.69 O HETATM 2556 O HOH 108 20.275 -7.897 36.468 1.00 23.60 O HETATM 2557 O HOH 109 14.504 -9.240 25.836 1.00 26.44 O HETATM 2558 O HOH 110 9.423 -5.943 37.190 1.00 28.02 O HETATM 2559 O HOH 111 -8.700 -19.510 21.366 1.00 37.72 O HETATM 2560 O HOH 112 23.743 -17.056 41.549 1.00 43.38 O HETATM 2561 O HOH 113 12.850 13.243 43.637 1.00 33.58 O HETATM 2562 O HOH 114 4.343 16.460 36.748 1.00 20.00 O HETATM 2563 O HOH 115 13.526 -6.126 15.963 1.00 33.96 O HETATM 2564 O HOH 116 15.522 11.318 22.512 1.00 18.74 O HETATM 2565 O HOH 117 22.208 6.558 31.757 1.00 40.12 O HETATM 2566 O HOH 118 -3.797 -0.499 38.666 1.00 41.43 O HETATM 2567 O HOH 119 14.893 13.810 29.583 1.00 40.90 O HETATM 2568 O HOH 120 -3.703 8.089 37.029 1.00 30.54 O HETATM 2569 O HOH 121 19.001 -6.479 26.192 1.00 32.70 O HETATM 2570 O HOH 122 -4.242 9.567 34.320 1.00 42.72 O HETATM 2571 O HOH 123 19.793 10.149 21.571 1.00 35.78 O HETATM 2572 O HOH 124 8.628 -0.842 50.317 1.00 52.06 O HETATM 2573 O HOH 125 22.869 -6.734 35.577 1.00 39.20 O HETATM 2574 O HOH 126 27.382 6.519 44.453 1.00 31.16 O HETATM 2575 O HOH 127 21.283 -3.840 30.180 1.00 31.24 O HETATM 2576 O HOH 128 12.662 12.706 25.546 1.00 54.46 O HETATM 2577 O HOH 129 17.734 8.526 53.847 1.00 36.58 O HETATM 2578 O HOH 130 25.124 -6.797 49.300 1.00 37.72 O HETATM 2579 O HOH 131 16.398 11.719 25.051 1.00 42.15 O HETATM 2580 O HOH 132 27.261 0.794 44.910 1.00 42.72 O HETATM 2581 O HOH 133 8.121 -11.915 17.098 1.00 45.22 O HETATM 2582 O HOH 134 9.401 -7.870 39.865 1.00 30.55 O HETATM 2583 O HOH 135 24.474 12.575 41.138 1.00 54.37 O HETATM 2584 O HOH 136 25.822 -17.463 44.583 1.00 53.52 O HETATM 2585 O HOH 137 21.974 -6.380 30.953 1.00 38.94 O HETATM 2586 O HOH 138 8.389 -6.373 49.863 1.00 49.14 O HETATM 2587 C1 UNN A 139 14.991 -0.169 9.294 1.00 0.20 C HETATM 2588 N UNN A 139 15.428 -1.457 9.317 1.00 -0.24 N HETATM 2589 C2 UNN A 139 16.174 -2.199 10.273 1.00 0.08 C HETATM 2590 C3 UNN A 139 16.567 -1.665 11.501 1.00 -0.03 C HETATM 2591 C4 UNN A 139 17.408 -2.377 12.352 1.00 0.04 C HETATM 2592 N3 UNN A 139 17.615 -2.041 13.699 1.00 -0.27 N HETATM 2593 C14 UNN A 139 16.773 -1.624 14.702 1.00 0.11 C HETATM 2594 C15 UNN A 139 15.410 -1.888 14.544 1.00 0.05 C HETATM 2595 C16 UNN A 139 14.525 -1.596 15.581 1.00 0.23 C HETATM 2596 N4 UNN A 139 15.055 -1.024 16.707 1.00 -0.10 N HETATM 2597 N6 UNN A 139 14.446 -0.667 17.849 1.00 -0.20 N HETATM 2598 C19 UNN A 139 15.414 -0.135 18.582 1.00 0.01 C HETATM 2599 C18 UNN A 139 16.653 -0.137 17.928 1.00 0.11 C HETATM 2600 C20 UNN A 139 17.896 0.426 18.347 1.00 0.04 C HETATM 2601 N7 UNN A 139 18.923 0.850 18.609 1.00 -0.38 N HETATM 2602 C17 UNN A 139 16.407 -0.739 16.726 1.00 0.18 C HETATM 2603 N5 UNN A 139 17.275 -1.029 15.767 1.00 -0.27 N HETATM 2604 H16 UNN A 139 15.262 0.261 19.585 1.00 0.07 H HETATM 2605 N8 UNN A 139 13.205 -1.792 15.483 1.00 -0.26 N HETATM 2606 C21 UNN A 139 12.548 -2.242 14.253 1.00 0.08 C HETATM 2607 C22 UNN A 139 11.269 -3.002 14.366 1.00 -0.06 C HETATM 2608 C23 UNN A 139 12.415 -3.711 14.025 1.00 -0.06 C HETATM 2609 H20 UNN A 139 12.883 -4.661 13.772 1.00 0.06 H HETATM 2610 H18 UNN A 139 10.199 -3.002 14.570 1.00 0.06 H HETATM 2611 H17 UNN A 139 12.734 -1.539 13.428 1.00 0.07 H HETATM 2612 H19 UNN A 139 12.621 -1.618 16.314 1.00 0.20 H HETATM 2613 H15 UNN A 139 15.041 -2.320 13.615 1.00 0.04 H HETATM 2614 H21 UNN A 139 18.598 -2.124 13.996 1.00 0.21 H HETATM 2615 C5 UNN A 139 17.836 -3.646 11.982 1.00 -0.06 C HETATM 2616 C6 UNN A 139 17.417 -4.206 10.786 1.00 -0.07 C HETATM 2617 C7 UNN A 139 16.604 -3.488 9.909 1.00 0.05 C HETATM 2618 N1 UNN A 139 16.273 -4.013 8.620 1.00 -0.31 N HETATM 2619 C8 UNN A 139 16.829 -3.505 7.360 1.00 0.03 C HETATM 2620 C9 UNN A 139 16.641 -4.665 6.393 1.00 0.01 C HETATM 2621 C10 UNN A 139 15.347 -5.307 6.903 1.00 -0.00 C HETATM 2622 C11 UNN A 139 15.547 -5.269 8.414 1.00 0.07 C HETATM 2623 H7 UNN A 139 16.141 -6.129 8.756 1.00 0.06 H HETATM 2624 H8 UNN A 139 14.581 -5.258 8.940 1.00 0.06 H HETATM 2625 N2 UNN A 139 14.920 -6.659 6.315 1.00 0.23 N HETATM 2626 C12 UNN A 139 14.197 -6.533 5.049 1.00 -0.04 C HETATM 2627 H9 UNN A 139 13.921 -7.533 4.683 1.00 0.08 H HETATM 2628 H10 UNN A 139 14.840 -6.036 4.308 1.00 0.08 H HETATM 2629 H11 UNN A 139 13.287 -5.936 5.205 1.00 0.08 H HETATM 2630 C13 UNN A 139 16.001 -7.647 6.202 1.00 -0.04 C HETATM 2631 H12 UNN A 139 16.529 -7.724 7.164 1.00 0.08 H HETATM 2632 H13 UNN A 139 16.707 -7.330 5.420 1.00 0.08 H HETATM 2633 H14 UNN A 139 15.576 -8.627 5.937 1.00 0.08 H HETATM 2634 H28 UNN A 139 14.263 -7.043 6.976 1.00 0.20 H HETATM 2635 H6 UNN A 139 14.522 -4.622 6.655 1.00 0.09 H HETATM 2636 H4 UNN A 139 17.484 -5.370 6.447 1.00 0.03 H HETATM 2637 H5 UNN A 139 16.528 -4.308 5.359 1.00 0.03 H HETATM 2638 H2 UNN A 139 16.279 -2.616 7.018 1.00 0.05 H HETATM 2639 H3 UNN A 139 17.895 -3.256 7.473 1.00 0.05 H HETATM 2640 H23 UNN A 139 17.724 -5.213 10.529 1.00 0.04 H HETATM 2641 H22 UNN A 139 18.502 -4.201 12.633 1.00 0.04 H HETATM 2642 H1 UNN A 139 16.213 -0.684 11.796 1.00 0.04 H HETATM 2643 H24 UNN A 139 15.176 -1.983 8.505 1.00 0.22 H HETATM 2644 O UNN A 139 15.096 0.596 10.246 1.00 -0.39 O HETATM 2645 C UNN A 139 14.398 0.268 7.988 1.00 0.03 C HETATM 2646 H25 UNN A 139 14.075 1.317 8.065 1.00 0.05 H HETATM 2647 H26 UNN A 139 13.532 -0.366 7.748 1.00 0.05 H HETATM 2648 H27 UNN A 139 15.152 0.174 7.193 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1225 1226 1233 1234 1235 CONECT 1233 1225 CONECT 1234 1225 CONECT 1235 1225 CONECT 2587 2588 2644 2645 CONECT 2588 2587 2589 2643 CONECT 2589 2588 2590 2617 CONECT 2590 2589 2591 2642 CONECT 2591 2590 2592 2615 CONECT 2592 2591 2593 2614 CONECT 2593 2592 2594 2603 CONECT 2594 2593 2595 2613 CONECT 2595 2594 2596 2605 CONECT 2596 2595 2597 2602 CONECT 2597 2596 2598 CONECT 2598 2597 2599 2604 CONECT 2599 2598 2600 2602 CONECT 2600 2599 2601 CONECT 2601 2600 CONECT 2602 2596 2599 2603 CONECT 2603 2593 2602 CONECT 2604 2598 CONECT 2605 2595 2606 2612 CONECT 2606 2605 2607 2608 2611 CONECT 2607 2606 2608 2610 CONECT 2608 2606 2607 2609 CONECT 2609 2608 CONECT 2610 2607 CONECT 2611 2606 CONECT 2612 2605 CONECT 2613 2594 CONECT 2614 2592 CONECT 2615 2591 2616 2641 CONECT 2616 2615 2617 2640 CONECT 2617 2589 2616 2618 CONECT 2618 2617 2619 2622 CONECT 2619 2618 2620 2638 2639 CONECT 2620 2619 2621 2636 2637 CONECT 2621 2620 2622 2625 2635 CONECT 2622 2618 2621 2623 2624 CONECT 2623 2622 CONECT 2624 2622 CONECT 2625 2621 2626 2630 2634 CONECT 2626 2625 2627 2628 2629 CONECT 2627 2626 CONECT 2628 2626 CONECT 2629 2626 CONECT 2630 2625 2631 2632 2633 CONECT 2631 2630 CONECT 2632 2630 CONECT 2633 2630 CONECT 2634 2625 CONECT 2635 2621 CONECT 2636 2620 CONECT 2637 2620 CONECT 2638 2619 CONECT 2639 2619 CONECT 2640 2616 CONECT 2641 2615 CONECT 2642 2590 CONECT 2643 2588 CONECT 2644 2587 CONECT 2645 2587 2646 2647 2648 CONECT 2646 2645 CONECT 2647 2645 CONECT 2648 2645 MASTER 0 0 0 0 0 0 0 0 2646 2 70 20 END
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Structure:
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Related entries of code: 5n20
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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126aa, >5MW6_1|Chains... at 96%
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5n1x
RCSB PDB
PDBbind
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5n1z
RCSB PDB
PDBbind
123aa, >5N1Z_1|Chain... at 97%
5n21
RCSB PDB
PDBbind
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5x4m
RCSB PDB
PDBbind
141aa, >5X4M_1|Chain... at 100%
5x4n
RCSB PDB
PDBbind
141aa, >5X4N_1|Chain... at 100%
5x4o
RCSB PDB
PDBbind
141aa, >5X4O_1|Chain... at 100%
5x4p
RCSB PDB
PDBbind
141aa, >5X4P_1|Chain... at 100%
5x4q
RCSB PDB
PDBbind
141aa, >5X4Q_1|Chain... at 100%
5x9o
RCSB PDB
PDBbind
141aa, >5X9O_1|Chain... at 100%
5x9p
RCSB PDB
PDBbind
141aa, >5X9P_1|Chain... at 100%
6ew6
RCSB PDB
PDBbind
123aa, >6EW6_1|Chain... at 96%
6ew7
RCSB PDB
PDBbind
122aa, >6EW7_1|Chains... at 97%
6cq1
RCSB PDB
PDBbind
131aa, >6CQ1_1|Chains... at 92%
6c3n
RCSB PDB
PDBbind
131aa, >6C3N_1|Chains... at 92%
6c3l
RCSB PDB
PDBbind
131aa, >6C3L_1|Chains... at 92%
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
5n20
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
B-cell lymphoma 6 protein
Ligand Name
8GN
EC.Number
E.C.-.-.-.-
Resolution
1.38(Å)
Affinity (Kd/Ki/IC50)
IC50=61uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 4386-4402
Ligand Properties
Formula
C
2
4
H
2
8
N
9
O
Molecular Weight
458.539
Exact Mass
458.242
No. of atoms
62
No. of bonds
66
Polar Surface Area
114.82
LOGP Value
2.20 (
Computed with XLOGP3
)
1.66 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
Canonical SMILES
N#Cc1cnn2c1nc(Nc1ccc(c(c1)NC(=O)C)N1CC[C@H](C1)[NH+](C)C)cc2N[C@@H]1C=C1
InChI String
InChI=1S/C24H27N9O/c1-15(34)27-20-10-18(6-7-21(20)32-9-8-19(14-32)31(2)3)28-22-11-23(29-17-4-5-17)33-24(30-22)16(12-25)13-26-33/h4-7,10-11,13,17,19,29H,8-9,14H2,1-3H3,(H,27,34)(H,28,30)/p+1/t19-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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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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