Browse entries in the PDBbind-CN Database
HEADER 2L0I_COMPLEX COMPND 2L0I_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 136 ALA PHE SER SER GLU GLN PHE THR THR LYS LEU ASN THR SEQRES 2 A 136 LEU GLU ASP SER GLN GLU SER ILE SER SER ALA SER LYS SEQRES 3 A 136 TRP LEU LEU LEU GLN TYR ARG ASP ALA PRO LYS VAL ALA SEQRES 4 A 136 GLU MET TRP LYS GLU TYR MET LEU ARG PRO SER VAL ASN SEQRES 5 A 136 THR ARG ARG LYS LEU LEU GLY LEU TYR LEU MET ASN HIS SEQRES 6 A 136 VAL VAL GLN GLN ALA LYS GLY GLN LYS ILE ILE GLN PHE SEQRES 7 A 136 GLN ASP SER PHE GLY LYS VAL ALA ALA GLU VAL LEU GLY SEQRES 8 A 136 ARG ILE ASN GLN GLU PHE PRO ARG ASP LEU LYS LYS LYS SEQRES 9 A 136 LEU SER ARG VAL VAL ASN ILE LEU LYS GLU ARG ASN ILE SEQRES 10 A 136 PHE SER LYS GLN VAL VAL ASN ASP ILE GLU ARG SER LEU SEQRES 11 A 136 ALA ALA ALA LEU GLU HIS HET PRO A 137 127 ATOM 1 N ALA A 2 25.349 -1.918 -9.655 1.00 5.47 N ATOM 2 CA ALA A 2 24.756 -0.601 -9.325 1.00 4.84 C ATOM 3 C ALA A 2 23.319 -0.765 -8.847 1.00 3.96 C ATOM 4 O ALA A 2 23.039 -0.688 -7.652 1.00 4.26 O ATOM 5 CB ALA A 2 24.815 0.329 -10.529 1.00 5.40 C ATOM 6 HA ALA A 2 25.338 -0.156 -8.518 1.00 0.00 H ATOM 7 HB1 ALA A 2 25.854 0.473 -10.825 1.00 0.00 H ATOM 8 HB2 ALA A 2 24.258 -0.113 -11.355 1.00 0.00 H ATOM 9 HB3 ALA A 2 24.375 1.291 -10.266 1.00 0.00 H ATOM 10 HN3 ALA A 2 24.792 -2.369 -10.409 1.00 0.00 H ATOM 11 HN2 ALA A 2 25.342 -2.522 -8.808 1.00 0.00 H ATOM 12 HN1 ALA A 2 26.328 -1.785 -9.979 1.00 0.00 H ATOM 13 N PHE A 3 22.413 -1.005 -9.780 1.00 3.24 N ATOM 14 CA PHE A 3 21.009 -1.188 -9.450 1.00 2.66 C ATOM 15 C PHE A 3 20.713 -2.671 -9.269 1.00 2.37 C ATOM 16 O PHE A 3 20.914 -3.466 -10.188 1.00 2.81 O ATOM 17 CB PHE A 3 20.124 -0.597 -10.552 1.00 2.71 C ATOM 18 CG PHE A 3 18.665 -0.530 -10.192 1.00 3.40 C ATOM 19 CD1 PHE A 3 18.174 0.523 -9.436 1.00 3.81 C ATOM 20 CD2 PHE A 3 17.785 -1.514 -10.617 1.00 4.16 C ATOM 21 CE1 PHE A 3 16.834 0.592 -9.109 1.00 4.74 C ATOM 22 CE2 PHE A 3 16.443 -1.450 -10.291 1.00 5.12 C ATOM 23 CZ PHE A 3 15.967 -0.394 -9.536 1.00 5.34 C ATOM 24 HA PHE A 3 20.791 -0.667 -8.518 1.00 0.00 H ATOM 25 HB2 PHE A 3 20.472 0.414 -10.767 1.00 0.00 H ATOM 26 HB3 PHE A 3 20.230 -1.213 -11.445 1.00 0.00 H ATOM 27 HD2 PHE A 3 18.155 -2.347 -11.215 1.00 0.00 H ATOM 28 HE2 PHE A 3 15.761 -2.231 -10.629 1.00 0.00 H ATOM 29 HZ PHE A 3 14.909 -0.340 -9.278 1.00 0.00 H ATOM 30 HE1 PHE A 3 16.461 1.425 -8.514 1.00 0.00 H ATOM 31 HD1 PHE A 3 18.853 1.305 -9.096 1.00 0.00 H ATOM 32 H PHE A 3 22.712 -1.064 -10.774 1.00 0.00 H ATOM 33 N SER A 4 20.259 -3.037 -8.080 1.00 1.99 N ATOM 34 CA SER A 4 19.944 -4.424 -7.778 1.00 1.86 C ATOM 35 C SER A 4 18.654 -4.851 -8.476 1.00 1.53 C ATOM 36 O SER A 4 17.613 -4.203 -8.334 1.00 1.56 O ATOM 37 CB SER A 4 19.817 -4.610 -6.265 1.00 2.25 C ATOM 38 OG SER A 4 20.958 -4.103 -5.593 1.00 2.73 O ATOM 39 HA SER A 4 20.753 -5.054 -8.148 1.00 0.00 H ATOM 40 HB2 SER A 4 19.715 -5.672 -6.043 1.00 0.00 H ATOM 41 HB3 SER A 4 18.931 -4.080 -5.914 1.00 0.00 H ATOM 42 HG SER A 4 20.851 -4.235 -4.618 1.00 0.00 H ATOM 43 H SER A 4 20.124 -2.315 -7.344 1.00 0.00 H ATOM 44 N SER A 5 18.729 -5.939 -9.228 1.00 1.87 N ATOM 45 CA SER A 5 17.580 -6.448 -9.956 1.00 2.11 C ATOM 46 C SER A 5 16.506 -6.961 -8.998 1.00 1.75 C ATOM 47 O SER A 5 16.812 -7.673 -8.035 1.00 2.50 O ATOM 48 CB SER A 5 18.028 -7.568 -10.893 1.00 2.94 C ATOM 49 OG SER A 5 19.280 -7.255 -11.483 1.00 3.24 O ATOM 50 HA SER A 5 17.148 -5.634 -10.539 1.00 0.00 H ATOM 51 HB2 SER A 5 17.284 -7.697 -11.679 1.00 0.00 H ATOM 52 HB3 SER A 5 18.120 -8.494 -10.326 1.00 0.00 H ATOM 53 HG SER A 5 19.553 -7.992 -12.086 1.00 0.00 H ATOM 54 H SER A 5 19.636 -6.443 -9.299 1.00 0.00 H ATOM 55 N GLU A 6 15.255 -6.561 -9.254 1.00 0.91 N ATOM 56 CA GLU A 6 14.109 -6.976 -8.441 1.00 0.84 C ATOM 57 C GLU A 6 14.322 -6.654 -6.964 1.00 0.68 C ATOM 58 O GLU A 6 13.865 -7.391 -6.089 1.00 0.73 O ATOM 59 CB GLU A 6 13.847 -8.477 -8.614 1.00 1.15 C ATOM 60 CG GLU A 6 12.948 -8.815 -9.795 1.00 1.67 C ATOM 61 CD GLU A 6 13.633 -8.636 -11.137 1.00 2.11 C ATOM 62 OE1 GLU A 6 14.854 -8.884 -11.230 1.00 2.90 O ATOM 63 OE2 GLU A 6 12.948 -8.266 -12.112 1.00 2.42 O ATOM 64 HA GLU A 6 13.241 -6.416 -8.788 1.00 0.00 H ATOM 65 HB2 GLU A 6 14.804 -8.978 -8.757 1.00 0.00 H ATOM 66 HB3 GLU A 6 13.375 -8.850 -7.705 1.00 0.00 H ATOM 67 HG2 GLU A 6 12.631 -9.854 -9.703 1.00 0.00 H ATOM 68 HG3 GLU A 6 12.074 -8.165 -9.762 1.00 0.00 H ATOM 69 H GLU A 6 15.089 -5.929 -10.064 1.00 0.00 H ATOM 70 N GLN A 7 14.999 -5.543 -6.689 1.00 0.63 N ATOM 71 CA GLN A 7 15.280 -5.136 -5.313 1.00 0.61 C ATOM 72 C GLN A 7 13.998 -4.946 -4.503 1.00 0.52 C ATOM 73 O GLN A 7 13.962 -5.251 -3.315 1.00 0.61 O ATOM 74 CB GLN A 7 16.126 -3.859 -5.287 1.00 0.75 C ATOM 75 CG GLN A 7 15.453 -2.644 -5.907 1.00 1.58 C ATOM 76 CD GLN A 7 16.356 -1.426 -5.926 1.00 2.04 C ATOM 77 OE1 GLN A 7 17.574 -1.541 -6.056 1.00 2.40 O ATOM 78 NE2 GLN A 7 15.767 -0.250 -5.785 1.00 2.75 N ATOM 79 HA GLN A 7 15.847 -5.941 -4.846 1.00 0.00 H ATOM 80 HB2 GLN A 7 16.360 -3.626 -4.248 1.00 0.00 H ATOM 81 HB3 GLN A 7 17.050 -4.051 -5.832 1.00 0.00 H ATOM 82 HG2 GLN A 7 15.170 -2.886 -6.932 1.00 0.00 H ATOM 83 HG3 GLN A 7 14.559 -2.407 -5.331 1.00 0.00 H ATOM 84 HE22 GLN A 7 14.734 -0.195 -5.678 1.00 0.00 H ATOM 85 HE21 GLN A 7 16.337 0.620 -5.781 1.00 0.00 H ATOM 86 H GLN A 7 15.337 -4.949 -7.472 1.00 0.00 H ATOM 87 N PHE A 8 12.948 -4.464 -5.150 1.00 0.49 N ATOM 88 CA PHE A 8 11.678 -4.246 -4.475 1.00 0.45 C ATOM 89 C PHE A 8 10.888 -5.550 -4.411 1.00 0.44 C ATOM 90 O PHE A 8 10.328 -5.905 -3.373 1.00 0.42 O ATOM 91 CB PHE A 8 10.877 -3.170 -5.215 1.00 0.51 C ATOM 92 CG PHE A 8 9.596 -2.777 -4.535 1.00 0.48 C ATOM 93 CD1 PHE A 8 9.604 -2.295 -3.236 1.00 0.88 C ATOM 94 CD2 PHE A 8 8.385 -2.888 -5.198 1.00 0.89 C ATOM 95 CE1 PHE A 8 8.429 -1.930 -2.611 1.00 0.90 C ATOM 96 CE2 PHE A 8 7.205 -2.524 -4.579 1.00 0.91 C ATOM 97 CZ PHE A 8 7.228 -2.045 -3.283 1.00 0.55 C ATOM 98 HA PHE A 8 11.866 -3.906 -3.457 1.00 0.00 H ATOM 99 HB2 PHE A 8 11.502 -2.282 -5.307 1.00 0.00 H ATOM 100 HB3 PHE A 8 10.635 -3.547 -6.209 1.00 0.00 H ATOM 101 HD2 PHE A 8 8.363 -3.267 -6.220 1.00 0.00 H ATOM 102 HE2 PHE A 8 6.258 -2.614 -5.111 1.00 0.00 H ATOM 103 HZ PHE A 8 6.299 -1.758 -2.791 1.00 0.00 H ATOM 104 HE1 PHE A 8 8.449 -1.552 -1.589 1.00 0.00 H ATOM 105 HD1 PHE A 8 10.549 -2.203 -2.701 1.00 0.00 H ATOM 106 H PHE A 8 13.033 -4.237 -6.161 1.00 0.00 H ATOM 107 N THR A 9 10.882 -6.269 -5.525 1.00 0.50 N ATOM 108 CA THR A 9 10.165 -7.531 -5.643 1.00 0.56 C ATOM 109 C THR A 9 10.651 -8.575 -4.633 1.00 0.56 C ATOM 110 O THR A 9 9.847 -9.309 -4.051 1.00 0.60 O ATOM 111 CB THR A 9 10.320 -8.089 -7.066 1.00 0.67 C ATOM 112 OG1 THR A 9 10.654 -7.018 -7.961 1.00 0.76 O ATOM 113 CG2 THR A 9 9.040 -8.766 -7.530 1.00 0.86 C ATOM 114 HA THR A 9 9.116 -7.326 -5.429 1.00 0.00 H ATOM 115 HB THR A 9 11.116 -8.834 -7.063 1.00 0.00 H ATOM 116 HG1 THR A 9 10.754 -7.376 -8.879 1.00 0.00 H ATOM 117 HG23 THR A 9 8.792 -9.578 -6.847 1.00 0.00 H ATOM 118 HG21 THR A 9 8.229 -8.038 -7.541 1.00 0.00 H ATOM 119 HG22 THR A 9 9.185 -9.166 -8.534 1.00 0.00 H ATOM 120 H THR A 9 11.411 -5.917 -6.348 1.00 0.00 H ATOM 121 N THR A 10 11.961 -8.635 -4.421 1.00 0.57 N ATOM 122 CA THR A 10 12.541 -9.593 -3.486 1.00 0.63 C ATOM 123 C THR A 10 12.104 -9.312 -2.047 1.00 0.58 C ATOM 124 O THR A 10 11.845 -10.238 -1.276 1.00 0.66 O ATOM 125 CB THR A 10 14.081 -9.580 -3.561 1.00 0.71 C ATOM 126 OG1 THR A 10 14.506 -9.679 -4.926 1.00 1.42 O ATOM 127 CG2 THR A 10 14.678 -10.728 -2.762 1.00 1.31 C ATOM 128 HA THR A 10 12.175 -10.578 -3.777 1.00 0.00 H ATOM 129 HB THR A 10 14.431 -8.640 -3.134 1.00 0.00 H ATOM 130 HG1 THR A 10 14.148 -8.911 -5.438 1.00 0.00 H ATOM 131 HG23 THR A 10 14.355 -10.653 -1.724 1.00 0.00 H ATOM 132 HG21 THR A 10 14.340 -11.675 -3.182 1.00 0.00 H ATOM 133 HG22 THR A 10 15.766 -10.675 -2.810 1.00 0.00 H ATOM 134 H THR A 10 12.588 -7.983 -4.934 1.00 0.00 H ATOM 135 N LYS A 11 12.000 -8.035 -1.693 1.00 0.51 N ATOM 136 CA LYS A 11 11.606 -7.652 -0.341 1.00 0.50 C ATOM 137 C LYS A 11 10.145 -7.992 -0.078 1.00 0.48 C ATOM 138 O LYS A 11 9.780 -8.363 1.036 1.00 0.52 O ATOM 139 CB LYS A 11 11.855 -6.159 -0.106 1.00 0.50 C ATOM 140 CG LYS A 11 13.300 -5.736 -0.325 1.00 0.59 C ATOM 141 CD LYS A 11 14.256 -6.443 0.626 1.00 0.80 C ATOM 142 CE LYS A 11 14.658 -5.549 1.788 1.00 1.06 C ATOM 143 NZ LYS A 11 15.738 -6.160 2.604 1.00 1.30 N ATOM 144 HA LYS A 11 12.219 -8.221 0.358 1.00 0.00 H ATOM 145 HB2 LYS A 11 11.223 -5.593 -0.791 1.00 0.00 H ATOM 146 HB3 LYS A 11 11.579 -5.922 0.921 1.00 0.00 H ATOM 147 HG2 LYS A 11 13.584 -5.974 -1.350 1.00 0.00 H ATOM 148 HG3 LYS A 11 13.379 -4.660 -0.167 1.00 0.00 H ATOM 149 HD2 LYS A 11 13.768 -7.335 1.019 1.00 0.00 H ATOM 150 HD3 LYS A 11 15.152 -6.732 0.076 1.00 0.00 H ATOM 151 HE2 LYS A 11 13.788 -5.381 2.422 1.00 0.00 H ATOM 152 HE3 LYS A 11 15.009 -4.595 1.395 1.00 0.00 H ATOM 153 HZ1 LYS A 11 15.409 -7.069 2.988 1.00 0.00 H ATOM 154 HZ2 LYS A 11 16.575 -6.318 2.007 1.00 0.00 H ATOM 155 HZ3 LYS A 11 15.984 -5.520 3.386 1.00 0.00 H ATOM 156 H LYS A 11 12.204 -7.294 -2.394 1.00 0.00 H ATOM 157 N LEU A 12 9.319 -7.889 -1.110 1.00 0.47 N ATOM 158 CA LEU A 12 7.895 -8.192 -0.990 1.00 0.50 C ATOM 159 C LEU A 12 7.666 -9.674 -0.713 1.00 0.56 C ATOM 160 O LEU A 12 6.641 -10.062 -0.157 1.00 0.65 O ATOM 161 CB LEU A 12 7.156 -7.798 -2.268 1.00 0.54 C ATOM 162 CG LEU A 12 7.042 -6.296 -2.528 1.00 0.66 C ATOM 163 CD1 LEU A 12 6.442 -6.044 -3.902 1.00 1.57 C ATOM 164 CD2 LEU A 12 6.196 -5.630 -1.454 1.00 0.84 C ATOM 165 HA LEU A 12 7.507 -7.615 -0.151 1.00 0.00 H ATOM 166 HB2 LEU A 12 7.682 -8.246 -3.111 1.00 0.00 H ATOM 167 HB3 LEU A 12 6.147 -8.207 -2.212 1.00 0.00 H ATOM 168 HG LEU A 12 8.042 -5.864 -2.497 1.00 0.00 H ATOM 169 HD21 LEU A 12 5.197 -6.067 -1.457 1.00 0.00 H ATOM 170 HD22 LEU A 12 6.659 -5.786 -0.480 1.00 0.00 H ATOM 171 HD23 LEU A 12 6.128 -4.561 -1.658 1.00 0.00 H ATOM 172 HD11 LEU A 12 7.081 -6.491 -4.664 1.00 0.00 H ATOM 173 HD12 LEU A 12 5.449 -6.491 -3.951 1.00 0.00 H ATOM 174 HD13 LEU A 12 6.367 -4.970 -4.073 1.00 0.00 H ATOM 175 H LEU A 12 9.695 -7.584 -2.030 1.00 0.00 H ATOM 176 N ASN A 13 8.629 -10.497 -1.098 1.00 0.60 N ATOM 177 CA ASN A 13 8.522 -11.938 -0.909 1.00 0.71 C ATOM 178 C ASN A 13 9.264 -12.403 0.339 1.00 0.72 C ATOM 179 O ASN A 13 9.315 -13.598 0.632 1.00 0.87 O ATOM 180 CB ASN A 13 9.055 -12.672 -2.143 1.00 0.82 C ATOM 181 CG ASN A 13 8.055 -12.684 -3.283 1.00 1.14 C ATOM 182 OD1 ASN A 13 7.185 -13.551 -3.351 1.00 1.53 O ATOM 183 ND2 ASN A 13 8.171 -11.726 -4.188 1.00 1.59 N ATOM 184 HA ASN A 13 7.467 -12.176 -0.773 1.00 0.00 H ATOM 185 HB2 ASN A 13 9.965 -12.176 -2.480 1.00 0.00 H ATOM 186 HB3 ASN A 13 9.284 -13.701 -1.867 1.00 0.00 H ATOM 187 HD22 ASN A 13 8.920 -11.011 -4.095 1.00 0.00 H ATOM 188 HD21 ASN A 13 7.513 -11.688 -4.992 1.00 0.00 H ATOM 189 H ASN A 13 9.482 -10.106 -1.546 1.00 0.00 H ATOM 190 N THR A 14 9.827 -11.464 1.083 1.00 0.67 N ATOM 191 CA THR A 14 10.563 -11.805 2.292 1.00 0.74 C ATOM 192 C THR A 14 9.946 -11.138 3.515 1.00 0.68 C ATOM 193 O THR A 14 10.557 -11.080 4.582 1.00 0.81 O ATOM 194 CB THR A 14 12.041 -11.394 2.168 1.00 0.85 C ATOM 195 OG1 THR A 14 12.142 -10.166 1.438 1.00 1.63 O ATOM 196 CG2 THR A 14 12.846 -12.472 1.459 1.00 1.47 C ATOM 197 HA THR A 14 10.506 -12.886 2.417 1.00 0.00 H ATOM 198 HB THR A 14 12.445 -11.261 3.172 1.00 0.00 H ATOM 199 HG1 THR A 14 11.758 -10.289 0.534 1.00 0.00 H ATOM 200 HG23 THR A 14 12.769 -13.406 2.015 1.00 0.00 H ATOM 201 HG21 THR A 14 12.454 -12.614 0.452 1.00 0.00 H ATOM 202 HG22 THR A 14 13.891 -12.166 1.403 1.00 0.00 H ATOM 203 H THR A 14 9.742 -10.467 0.799 1.00 0.00 H ATOM 204 N LEU A 15 8.722 -10.653 3.357 1.00 0.61 N ATOM 205 CA LEU A 15 8.025 -9.980 4.442 1.00 0.61 C ATOM 206 C LEU A 15 7.079 -10.922 5.172 1.00 0.60 C ATOM 207 O LEU A 15 6.778 -12.023 4.701 1.00 0.71 O ATOM 208 CB LEU A 15 7.237 -8.777 3.911 1.00 0.65 C ATOM 209 CG LEU A 15 8.085 -7.571 3.514 1.00 0.73 C ATOM 210 CD1 LEU A 15 7.219 -6.504 2.867 1.00 1.10 C ATOM 211 CD2 LEU A 15 8.819 -7.012 4.724 1.00 0.88 C ATOM 212 HA LEU A 15 8.782 -9.638 5.148 1.00 0.00 H ATOM 213 HB2 LEU A 15 6.678 -9.100 3.033 1.00 0.00 H ATOM 214 HB3 LEU A 15 6.541 -8.460 4.687 1.00 0.00 H ATOM 215 HG LEU A 15 8.829 -7.895 2.786 1.00 0.00 H ATOM 216 HD21 LEU A 15 8.094 -6.703 5.476 1.00 0.00 H ATOM 217 HD22 LEU A 15 9.470 -7.781 5.140 1.00 0.00 H ATOM 218 HD23 LEU A 15 9.417 -6.153 4.420 1.00 0.00 H ATOM 219 HD11 LEU A 15 6.745 -6.914 1.975 1.00 0.00 H ATOM 220 HD12 LEU A 15 6.453 -6.183 3.572 1.00 0.00 H ATOM 221 HD13 LEU A 15 7.840 -5.652 2.591 1.00 0.00 H ATOM 222 H LEU A 15 8.250 -10.756 2.436 1.00 0.00 H ATOM 223 N GLU A 16 6.637 -10.480 6.335 1.00 0.65 N ATOM 224 CA GLU A 16 5.704 -11.226 7.164 1.00 0.72 C ATOM 225 C GLU A 16 4.619 -10.267 7.641 1.00 0.70 C ATOM 226 O GLU A 16 4.778 -9.052 7.519 1.00 0.70 O ATOM 227 CB GLU A 16 6.433 -11.853 8.359 1.00 0.83 C ATOM 228 CG GLU A 16 5.576 -12.812 9.171 1.00 1.28 C ATOM 229 CD GLU A 16 6.270 -13.301 10.424 1.00 1.56 C ATOM 230 OE1 GLU A 16 6.608 -12.462 11.288 1.00 2.16 O ATOM 231 OE2 GLU A 16 6.472 -14.528 10.553 1.00 2.16 O ATOM 232 HA GLU A 16 5.256 -12.036 6.588 1.00 0.00 H ATOM 233 HB2 GLU A 16 7.299 -12.399 7.985 1.00 0.00 H ATOM 234 HB3 GLU A 16 6.767 -11.051 9.017 1.00 0.00 H ATOM 235 HG2 GLU A 16 4.657 -12.301 9.458 1.00 0.00 H ATOM 236 HG3 GLU A 16 5.332 -13.673 8.549 1.00 0.00 H ATOM 237 H GLU A 16 6.972 -9.555 6.674 1.00 0.00 H ATOM 238 N ASP A 17 3.531 -10.797 8.188 1.00 0.77 N ATOM 239 CA ASP A 17 2.434 -9.963 8.681 1.00 0.82 C ATOM 240 C ASP A 17 2.819 -9.248 9.976 1.00 0.79 C ATOM 241 O ASP A 17 1.990 -8.587 10.602 1.00 1.05 O ATOM 242 CB ASP A 17 1.175 -10.805 8.912 1.00 1.00 C ATOM 243 CG ASP A 17 1.355 -11.841 10.005 1.00 1.27 C ATOM 244 OD1 ASP A 17 1.899 -12.926 9.717 1.00 1.94 O ATOM 245 OD2 ASP A 17 0.946 -11.582 11.155 1.00 1.78 O ATOM 246 HA ASP A 17 2.227 -9.212 7.919 1.00 0.00 H ATOM 247 HB2 ASP A 17 0.358 -10.141 9.192 1.00 0.00 H ATOM 248 HB3 ASP A 17 0.923 -11.318 7.984 1.00 0.00 H ATOM 249 H ASP A 17 3.457 -11.831 8.268 1.00 0.00 H ATOM 250 N SER A 18 4.073 -9.385 10.375 1.00 0.74 N ATOM 251 CA SER A 18 4.559 -8.748 11.583 1.00 0.75 C ATOM 252 C SER A 18 4.973 -7.309 11.296 1.00 0.69 C ATOM 253 O SER A 18 5.583 -7.022 10.262 1.00 0.78 O ATOM 254 CB SER A 18 5.747 -9.524 12.154 1.00 0.84 C ATOM 255 OG SER A 18 6.006 -9.140 13.495 1.00 1.61 O ATOM 256 HA SER A 18 3.753 -8.745 12.316 1.00 0.00 H ATOM 257 HB2 SER A 18 6.630 -9.322 11.548 1.00 0.00 H ATOM 258 HB3 SER A 18 5.524 -10.591 12.125 1.00 0.00 H ATOM 259 HG SER A 18 6.777 -9.655 13.841 1.00 0.00 H ATOM 260 H SER A 18 4.726 -9.964 9.808 1.00 0.00 H ATOM 261 N GLN A 19 4.650 -6.412 12.219 1.00 0.76 N ATOM 262 CA GLN A 19 4.994 -5.003 12.077 1.00 0.79 C ATOM 263 C GLN A 19 6.507 -4.831 12.022 1.00 0.73 C ATOM 264 O GLN A 19 7.021 -3.961 11.320 1.00 0.73 O ATOM 265 CB GLN A 19 4.403 -4.195 13.235 1.00 1.04 C ATOM 266 CG GLN A 19 4.677 -4.800 14.603 1.00 1.45 C ATOM 267 CD GLN A 19 3.807 -4.202 15.690 1.00 2.07 C ATOM 268 OE1 GLN A 19 2.716 -4.699 15.973 1.00 2.64 O ATOM 269 NE2 GLN A 19 4.281 -3.132 16.305 1.00 2.54 N ATOM 270 HA GLN A 19 4.571 -4.631 11.144 1.00 0.00 H ATOM 271 HB2 GLN A 19 4.831 -3.193 13.209 1.00 0.00 H ATOM 272 HB3 GLN A 19 3.324 -4.132 13.096 1.00 0.00 H ATOM 273 HG2 GLN A 19 4.488 -5.872 14.555 1.00 0.00 H ATOM 274 HG3 GLN A 19 5.723 -4.628 14.858 1.00 0.00 H ATOM 275 HE22 GLN A 19 5.208 -2.745 16.035 1.00 0.00 H ATOM 276 HE21 GLN A 19 3.727 -2.678 17.059 1.00 0.00 H ATOM 277 H GLN A 19 4.137 -6.723 13.068 1.00 0.00 H ATOM 278 N GLU A 20 7.214 -5.697 12.741 1.00 0.80 N ATOM 279 CA GLU A 20 8.669 -5.660 12.775 1.00 0.87 C ATOM 280 C GLU A 20 9.237 -5.957 11.385 1.00 0.75 C ATOM 281 O GLU A 20 10.312 -5.479 11.021 1.00 0.80 O ATOM 282 CB GLU A 20 9.204 -6.675 13.798 1.00 1.09 C ATOM 283 CG GLU A 20 9.236 -8.109 13.281 1.00 1.59 C ATOM 284 CD GLU A 20 9.272 -9.145 14.385 1.00 2.23 C ATOM 285 OE1 GLU A 20 10.269 -9.197 15.138 1.00 2.99 O ATOM 286 OE2 GLU A 20 8.300 -9.920 14.500 1.00 2.69 O ATOM 287 HA GLU A 20 8.987 -4.662 13.077 1.00 0.00 H ATOM 288 HB2 GLU A 20 10.218 -6.385 14.072 1.00 0.00 H ATOM 289 HB3 GLU A 20 8.567 -6.642 14.682 1.00 0.00 H ATOM 290 HG2 GLU A 20 8.345 -8.279 12.676 1.00 0.00 H ATOM 291 HG3 GLU A 20 10.124 -8.233 12.661 1.00 0.00 H ATOM 292 H GLU A 20 6.714 -6.421 13.295 1.00 0.00 H ATOM 293 N SER A 21 8.490 -6.727 10.606 1.00 0.69 N ATOM 294 CA SER A 21 8.910 -7.103 9.269 1.00 0.67 C ATOM 295 C SER A 21 8.612 -5.983 8.278 1.00 0.54 C ATOM 296 O SER A 21 9.505 -5.523 7.565 1.00 0.58 O ATOM 297 CB SER A 21 8.202 -8.391 8.844 1.00 0.74 C ATOM 298 OG SER A 21 8.760 -8.915 7.652 1.00 1.10 O ATOM 299 HA SER A 21 9.986 -7.275 9.276 1.00 0.00 H ATOM 300 HB2 SER A 21 7.146 -8.178 8.679 1.00 0.00 H ATOM 301 HB3 SER A 21 8.302 -9.131 9.638 1.00 0.00 H ATOM 302 HG SER A 21 8.283 -9.746 7.403 1.00 0.00 H ATOM 303 H SER A 21 7.576 -7.072 10.964 1.00 0.00 H ATOM 304 N ILE A 22 7.360 -5.533 8.253 1.00 0.47 N ATOM 305 CA ILE A 22 6.943 -4.467 7.344 1.00 0.42 C ATOM 306 C ILE A 22 7.793 -3.215 7.548 1.00 0.42 C ATOM 307 O ILE A 22 8.241 -2.592 6.584 1.00 0.42 O ATOM 308 CB ILE A 22 5.450 -4.110 7.525 1.00 0.47 C ATOM 309 CG1 ILE A 22 4.575 -5.366 7.413 1.00 0.53 C ATOM 310 CG2 ILE A 22 5.020 -3.074 6.494 1.00 0.54 C ATOM 311 CD1 ILE A 22 4.660 -6.054 6.065 1.00 0.88 C ATOM 312 HA ILE A 22 7.087 -4.841 6.330 1.00 0.00 H ATOM 313 HB ILE A 22 5.320 -3.686 8.521 1.00 0.00 H ATOM 314 HG12 ILE A 22 4.889 -6.073 8.180 1.00 0.00 H ATOM 315 HG13 ILE A 22 3.538 -5.079 7.588 1.00 0.00 H ATOM 316 HD11 ILE A 22 4.337 -5.364 5.285 1.00 0.00 H ATOM 317 HD12 ILE A 22 5.690 -6.359 5.878 1.00 0.00 H ATOM 318 HD13 ILE A 22 4.014 -6.932 6.065 1.00 0.00 H ATOM 319 HG21 ILE A 22 5.618 -2.171 6.617 1.00 0.00 H ATOM 320 HG22 ILE A 22 5.169 -3.477 5.492 1.00 0.00 H ATOM 321 HG23 ILE A 22 3.966 -2.836 6.638 1.00 0.00 H ATOM 322 H ILE A 22 6.659 -5.951 8.898 1.00 0.00 H ATOM 323 N SER A 23 8.035 -2.872 8.808 1.00 0.46 N ATOM 324 CA SER A 23 8.835 -1.705 9.151 1.00 0.50 C ATOM 325 C SER A 23 10.256 -1.830 8.600 1.00 0.49 C ATOM 326 O SER A 23 10.851 -0.842 8.167 1.00 0.55 O ATOM 327 CB SER A 23 8.873 -1.532 10.672 1.00 0.59 C ATOM 328 OG SER A 23 9.516 -0.326 11.040 1.00 1.18 O ATOM 329 HA SER A 23 8.374 -0.827 8.698 1.00 0.00 H ATOM 330 HB2 SER A 23 9.414 -2.370 11.111 1.00 0.00 H ATOM 331 HB3 SER A 23 7.852 -1.520 11.053 1.00 0.00 H ATOM 332 HG SER A 23 9.524 -0.245 12.027 1.00 0.00 H ATOM 333 H SER A 23 7.641 -3.455 9.574 1.00 0.00 H ATOM 334 N SER A 24 10.776 -3.051 8.588 1.00 0.50 N ATOM 335 CA SER A 24 12.127 -3.310 8.107 1.00 0.54 C ATOM 336 C SER A 24 12.275 -2.989 6.619 1.00 0.50 C ATOM 337 O SER A 24 13.342 -2.563 6.170 1.00 0.67 O ATOM 338 CB SER A 24 12.501 -4.766 8.372 1.00 0.62 C ATOM 339 OG SER A 24 12.660 -5.003 9.760 1.00 1.16 O ATOM 340 HA SER A 24 12.806 -2.653 8.651 1.00 0.00 H ATOM 341 HB2 SER A 24 13.437 -4.993 7.861 1.00 0.00 H ATOM 342 HB3 SER A 24 11.713 -5.413 7.987 1.00 0.00 H ATOM 343 HG SER A 24 11.811 -4.802 10.227 1.00 0.00 H ATOM 344 H SER A 24 10.202 -3.847 8.932 1.00 0.00 H ATOM 345 N ALA A 25 11.211 -3.194 5.856 1.00 0.42 N ATOM 346 CA ALA A 25 11.242 -2.915 4.427 1.00 0.40 C ATOM 347 C ALA A 25 10.797 -1.484 4.143 1.00 0.36 C ATOM 348 O ALA A 25 11.320 -0.827 3.244 1.00 0.37 O ATOM 349 CB ALA A 25 10.373 -3.908 3.672 1.00 0.45 C ATOM 350 HA ALA A 25 12.270 -3.024 4.080 1.00 0.00 H ATOM 351 HB1 ALA A 25 10.744 -4.918 3.844 1.00 0.00 H ATOM 352 HB2 ALA A 25 9.345 -3.832 4.026 1.00 0.00 H ATOM 353 HB3 ALA A 25 10.409 -3.683 2.606 1.00 0.00 H ATOM 354 H ALA A 25 10.338 -3.561 6.286 1.00 0.00 H ATOM 355 N SER A 26 9.839 -1.005 4.924 1.00 0.36 N ATOM 356 CA SER A 26 9.321 0.347 4.768 1.00 0.37 C ATOM 357 C SER A 26 10.418 1.377 5.024 1.00 0.36 C ATOM 358 O SER A 26 10.644 2.277 4.213 1.00 0.37 O ATOM 359 CB SER A 26 8.153 0.570 5.728 1.00 0.46 C ATOM 360 OG SER A 26 7.770 1.932 5.770 1.00 1.32 O ATOM 361 HA SER A 26 8.969 0.469 3.744 1.00 0.00 H ATOM 362 HB2 SER A 26 8.451 0.254 6.728 1.00 0.00 H ATOM 363 HB3 SER A 26 7.303 -0.027 5.398 1.00 0.00 H ATOM 364 HG SER A 26 7.014 2.042 6.399 1.00 0.00 H ATOM 365 H SER A 26 9.446 -1.613 5.670 1.00 0.00 H ATOM 366 N LYS A 27 11.124 1.214 6.139 1.00 0.39 N ATOM 367 CA LYS A 27 12.198 2.127 6.507 1.00 0.44 C ATOM 368 C LYS A 27 13.334 2.059 5.490 1.00 0.39 C ATOM 369 O LYS A 27 14.118 2.999 5.355 1.00 0.45 O ATOM 370 CB LYS A 27 12.711 1.797 7.912 1.00 0.53 C ATOM 371 CG LYS A 27 12.028 2.587 9.023 1.00 0.90 C ATOM 372 CD LYS A 27 10.518 2.396 9.016 1.00 1.41 C ATOM 373 CE LYS A 27 9.849 3.142 10.163 1.00 1.90 C ATOM 374 NZ LYS A 27 9.847 2.348 11.420 1.00 2.38 N ATOM 375 HA LYS A 27 11.806 3.144 6.509 1.00 0.00 H ATOM 376 HB2 LYS A 27 12.548 0.735 8.096 1.00 0.00 H ATOM 377 HB3 LYS A 27 13.779 2.011 7.946 1.00 0.00 H ATOM 378 HG2 LYS A 27 12.420 2.254 9.984 1.00 0.00 H ATOM 379 HG3 LYS A 27 12.249 3.646 8.889 1.00 0.00 H ATOM 380 HD2 LYS A 27 10.119 2.768 8.072 1.00 0.00 H ATOM 381 HD3 LYS A 27 10.296 1.333 9.109 1.00 0.00 H ATOM 382 HE2 LYS A 27 8.819 3.364 9.885 1.00 0.00 H ATOM 383 HE3 LYS A 27 10.386 4.075 10.337 1.00 0.00 H ATOM 384 HZ1 LYS A 27 9.330 1.459 11.266 1.00 0.00 H ATOM 385 HZ2 LYS A 27 10.827 2.138 11.697 1.00 0.00 H ATOM 386 HZ3 LYS A 27 9.382 2.894 12.173 1.00 0.00 H ATOM 387 H LYS A 27 10.904 0.413 6.765 1.00 0.00 H ATOM 388 N TRP A 28 13.406 0.942 4.773 1.00 0.36 N ATOM 389 CA TRP A 28 14.425 0.746 3.754 1.00 0.38 C ATOM 390 C TRP A 28 14.034 1.492 2.478 1.00 0.35 C ATOM 391 O TRP A 28 14.887 1.992 1.743 1.00 0.43 O ATOM 392 CB TRP A 28 14.598 -0.754 3.474 1.00 0.42 C ATOM 393 CG TRP A 28 15.524 -1.064 2.335 1.00 0.54 C ATOM 394 CD1 TRP A 28 16.885 -0.960 2.331 1.00 0.73 C ATOM 395 CD2 TRP A 28 15.154 -1.536 1.032 1.00 0.62 C ATOM 396 NE1 TRP A 28 17.383 -1.337 1.109 1.00 0.86 N ATOM 397 CE2 TRP A 28 16.342 -1.694 0.294 1.00 0.79 C ATOM 398 CE3 TRP A 28 13.933 -1.839 0.417 1.00 0.70 C ATOM 399 CZ2 TRP A 28 16.348 -2.142 -1.024 1.00 0.94 C ATOM 400 CZ3 TRP A 28 13.940 -2.283 -0.893 1.00 0.89 C ATOM 401 CH2 TRP A 28 15.141 -2.431 -1.601 1.00 0.98 C ATOM 402 HA TRP A 28 15.375 1.145 4.110 1.00 0.00 H ATOM 403 HB2 TRP A 28 14.992 -1.227 4.374 1.00 0.00 H ATOM 404 HB3 TRP A 28 13.619 -1.174 3.243 1.00 0.00 H ATOM 405 HE1 TRP A 28 18.389 -1.350 0.845 1.00 0.00 H ATOM 406 HD1 TRP A 28 17.488 -0.626 3.175 1.00 0.00 H ATOM 407 HZ2 TRP A 28 17.280 -2.258 -1.577 1.00 0.00 H ATOM 408 HH2 TRP A 28 15.113 -2.783 -2.632 1.00 0.00 H ATOM 409 HZ3 TRP A 28 12.996 -2.522 -1.383 1.00 0.00 H ATOM 410 HE3 TRP A 28 12.995 -1.727 0.960 1.00 0.00 H ATOM 411 H TRP A 28 12.713 0.186 4.946 1.00 0.00 H ATOM 412 N LEU A 29 12.737 1.578 2.233 1.00 0.32 N ATOM 413 CA LEU A 29 12.223 2.256 1.054 1.00 0.35 C ATOM 414 C LEU A 29 12.163 3.766 1.277 1.00 0.36 C ATOM 415 O LEU A 29 12.449 4.550 0.373 1.00 0.39 O ATOM 416 CB LEU A 29 10.830 1.726 0.712 1.00 0.41 C ATOM 417 CG LEU A 29 10.424 1.860 -0.756 1.00 0.54 C ATOM 418 CD1 LEU A 29 11.287 0.968 -1.631 1.00 1.10 C ATOM 419 CD2 LEU A 29 8.954 1.521 -0.935 1.00 1.30 C ATOM 420 HA LEU A 29 12.899 2.057 0.223 1.00 0.00 H ATOM 421 HB2 LEU A 29 10.797 0.669 0.976 1.00 0.00 H ATOM 422 HB3 LEU A 29 10.104 2.272 1.314 1.00 0.00 H ATOM 423 HG LEU A 29 10.578 2.895 -1.062 1.00 0.00 H ATOM 424 HD21 LEU A 29 8.777 0.496 -0.610 1.00 0.00 H ATOM 425 HD22 LEU A 29 8.350 2.203 -0.336 1.00 0.00 H ATOM 426 HD23 LEU A 29 8.684 1.622 -1.986 1.00 0.00 H ATOM 427 HD11 LEU A 29 12.332 1.258 -1.524 1.00 0.00 H ATOM 428 HD12 LEU A 29 11.164 -0.070 -1.323 1.00 0.00 H ATOM 429 HD13 LEU A 29 10.982 1.078 -2.672 1.00 0.00 H ATOM 430 H LEU A 29 12.066 1.149 2.902 1.00 0.00 H ATOM 431 N LEU A 30 11.821 4.160 2.499 1.00 0.38 N ATOM 432 CA LEU A 30 11.704 5.573 2.861 1.00 0.44 C ATOM 433 C LEU A 30 13.025 6.331 2.708 1.00 0.48 C ATOM 434 O LEU A 30 13.025 7.555 2.561 1.00 0.60 O ATOM 435 CB LEU A 30 11.192 5.710 4.296 1.00 0.51 C ATOM 436 CG LEU A 30 9.725 5.324 4.501 1.00 0.72 C ATOM 437 CD1 LEU A 30 9.402 5.222 5.983 1.00 1.06 C ATOM 438 CD2 LEU A 30 8.804 6.329 3.824 1.00 1.00 C ATOM 439 HA LEU A 30 10.991 6.020 2.168 1.00 0.00 H ATOM 440 HB2 LEU A 30 11.802 5.072 4.935 1.00 0.00 H ATOM 441 HB3 LEU A 30 11.314 6.749 4.601 1.00 0.00 H ATOM 442 HG LEU A 30 9.562 4.348 4.044 1.00 0.00 H ATOM 443 HD21 LEU A 30 8.971 7.318 4.251 1.00 0.00 H ATOM 444 HD22 LEU A 30 9.017 6.352 2.755 1.00 0.00 H ATOM 445 HD23 LEU A 30 7.767 6.034 3.983 1.00 0.00 H ATOM 446 HD11 LEU A 30 10.035 4.462 6.440 1.00 0.00 H ATOM 447 HD12 LEU A 30 9.585 6.185 6.461 1.00 0.00 H ATOM 448 HD13 LEU A 30 8.355 4.947 6.107 1.00 0.00 H ATOM 449 H LEU A 30 11.630 3.439 3.224 1.00 0.00 H ATOM 450 N LEU A 31 14.147 5.620 2.737 1.00 0.45 N ATOM 451 CA LEU A 31 15.447 6.274 2.603 1.00 0.53 C ATOM 452 C LEU A 31 15.826 6.454 1.133 1.00 0.54 C ATOM 453 O LEU A 31 16.794 7.148 0.814 1.00 0.70 O ATOM 454 CB LEU A 31 16.541 5.500 3.358 1.00 0.58 C ATOM 455 CG LEU A 31 16.741 4.035 2.950 1.00 1.12 C ATOM 456 CD1 LEU A 31 17.739 3.913 1.804 1.00 1.59 C ATOM 457 CD2 LEU A 31 17.204 3.210 4.143 1.00 1.71 C ATOM 458 HA LEU A 31 15.364 7.263 3.053 1.00 0.00 H ATOM 459 HB2 LEU A 31 17.485 6.021 3.201 1.00 0.00 H ATOM 460 HB3 LEU A 31 16.290 5.518 4.418 1.00 0.00 H ATOM 461 HG LEU A 31 15.782 3.649 2.605 1.00 0.00 H ATOM 462 HD21 LEU A 31 18.149 3.608 4.514 1.00 0.00 H ATOM 463 HD22 LEU A 31 16.453 3.260 4.931 1.00 0.00 H ATOM 464 HD23 LEU A 31 17.341 2.173 3.835 1.00 0.00 H ATOM 465 HD11 LEU A 31 17.369 4.467 0.941 1.00 0.00 H ATOM 466 HD12 LEU A 31 18.700 4.322 2.116 1.00 0.00 H ATOM 467 HD13 LEU A 31 17.859 2.863 1.538 1.00 0.00 H ATOM 468 H LEU A 31 14.100 4.588 2.856 1.00 0.00 H ATOM 469 N GLN A 32 15.056 5.843 0.241 1.00 0.49 N ATOM 470 CA GLN A 32 15.320 5.936 -1.188 1.00 0.56 C ATOM 471 C GLN A 32 14.099 6.488 -1.925 1.00 0.48 C ATOM 472 O GLN A 32 13.587 5.884 -2.869 1.00 0.53 O ATOM 473 CB GLN A 32 15.728 4.566 -1.750 1.00 0.69 C ATOM 474 CG GLN A 32 14.680 3.476 -1.565 1.00 0.80 C ATOM 475 CD GLN A 32 15.204 2.098 -1.912 1.00 1.09 C ATOM 476 OE1 GLN A 32 15.222 1.701 -3.077 1.00 1.51 O ATOM 477 NE2 GLN A 32 15.620 1.353 -0.903 1.00 1.25 N ATOM 478 HA GLN A 32 16.149 6.627 -1.343 1.00 0.00 H ATOM 479 HB2 GLN A 32 15.920 4.678 -2.817 1.00 0.00 H ATOM 480 HB3 GLN A 32 16.643 4.249 -1.249 1.00 0.00 H ATOM 481 HG2 GLN A 32 14.357 3.475 -0.524 1.00 0.00 H ATOM 482 HG3 GLN A 32 13.828 3.698 -2.208 1.00 0.00 H ATOM 483 HE22 GLN A 32 15.588 1.727 0.067 1.00 0.00 H ATOM 484 HE21 GLN A 32 15.979 0.393 -1.079 1.00 0.00 H ATOM 485 H GLN A 32 14.244 5.284 0.571 1.00 0.00 H ATOM 486 N TYR A 33 13.659 7.669 -1.503 1.00 0.47 N ATOM 487 CA TYR A 33 12.492 8.325 -2.094 1.00 0.47 C ATOM 488 C TYR A 33 12.712 8.692 -3.563 1.00 0.46 C ATOM 489 O TYR A 33 11.789 9.132 -4.243 1.00 0.50 O ATOM 490 CB TYR A 33 12.121 9.575 -1.285 1.00 0.57 C ATOM 491 CG TYR A 33 13.107 10.721 -1.407 1.00 0.70 C ATOM 492 CD1 TYR A 33 14.310 10.709 -0.713 1.00 1.35 C ATOM 493 CD2 TYR A 33 12.829 11.817 -2.218 1.00 1.41 C ATOM 494 CE1 TYR A 33 15.205 11.756 -0.820 1.00 1.55 C ATOM 495 CE2 TYR A 33 13.718 12.868 -2.328 1.00 1.59 C ATOM 496 CZ TYR A 33 14.905 12.831 -1.629 1.00 1.27 C ATOM 497 OH TYR A 33 15.791 13.876 -1.737 1.00 1.61 O ATOM 498 HA TYR A 33 11.669 7.611 -2.060 1.00 0.00 H ATOM 499 HB3 TYR A 33 12.055 9.293 -0.234 1.00 0.00 H ATOM 500 HB2 TYR A 33 11.147 9.926 -1.628 1.00 0.00 H ATOM 501 HD2 TYR A 33 11.893 11.846 -2.776 1.00 0.00 H ATOM 502 HE2 TYR A 33 13.482 13.721 -2.964 1.00 0.00 H ATOM 503 HE1 TYR A 33 16.144 11.732 -0.267 1.00 0.00 H ATOM 504 HD1 TYR A 33 14.552 9.860 -0.074 1.00 0.00 H ATOM 505 HH TYR A 33 16.586 13.693 -1.176 1.00 0.00 H ATOM 506 H TYR A 33 14.162 8.143 -0.726 1.00 0.00 H ATOM 507 N ARG A 34 13.935 8.512 -4.047 1.00 0.47 N ATOM 508 CA ARG A 34 14.262 8.819 -5.434 1.00 0.53 C ATOM 509 C ARG A 34 13.502 7.899 -6.382 1.00 0.48 C ATOM 510 O ARG A 34 13.099 8.304 -7.471 1.00 0.56 O ATOM 511 CB ARG A 34 15.761 8.657 -5.681 1.00 0.64 C ATOM 512 CG ARG A 34 16.628 9.614 -4.886 1.00 1.12 C ATOM 513 CD ARG A 34 18.093 9.454 -5.253 1.00 1.55 C ATOM 514 NE ARG A 34 18.949 10.371 -4.505 1.00 2.28 N ATOM 515 CZ ARG A 34 20.162 10.753 -4.899 1.00 2.92 C ATOM 516 NH1 ARG A 34 20.673 10.297 -6.040 1.00 2.94 N ATOM 517 NH2 ARG A 34 20.866 11.587 -4.144 1.00 3.97 N ATOM 518 HA ARG A 34 13.972 9.853 -5.622 1.00 0.00 H ATOM 519 HB2 ARG A 34 16.044 7.638 -5.416 1.00 0.00 H ATOM 520 HB3 ARG A 34 15.953 8.821 -6.741 1.00 0.00 H ATOM 521 HG2 ARG A 34 16.317 10.637 -5.098 1.00 0.00 H ATOM 522 HG3 ARG A 34 16.502 9.410 -3.823 1.00 0.00 H ATOM 523 HD2 ARG A 34 18.212 9.651 -6.318 1.00 0.00 H ATOM 524 HD3 ARG A 34 18.400 8.431 -5.037 1.00 0.00 H ATOM 525 HE ARG A 34 18.588 10.750 -3.606 1.00 0.00 H ATOM 526 HH12 ARG A 34 21.621 10.599 -6.343 1.00 0.00 H ATOM 527 HH11 ARG A 34 20.124 9.639 -6.629 1.00 0.00 H ATOM 528 HH22 ARG A 34 21.814 11.889 -4.447 1.00 0.00 H ATOM 529 HH21 ARG A 34 20.470 11.939 -3.249 1.00 0.00 H ATOM 530 H ARG A 34 14.679 8.143 -3.421 1.00 0.00 H ATOM 531 N ASP A 35 13.299 6.662 -5.946 1.00 0.46 N ATOM 532 CA ASP A 35 12.606 5.667 -6.758 1.00 0.50 C ATOM 533 C ASP A 35 11.133 5.573 -6.388 1.00 0.41 C ATOM 534 O ASP A 35 10.491 4.555 -6.639 1.00 0.38 O ATOM 535 CB ASP A 35 13.267 4.294 -6.594 1.00 0.68 C ATOM 536 CG ASP A 35 14.491 4.130 -7.470 1.00 1.04 C ATOM 537 OD1 ASP A 35 14.339 4.104 -8.711 1.00 1.70 O ATOM 538 OD2 ASP A 35 15.611 4.029 -6.925 1.00 1.58 O ATOM 539 HA ASP A 35 12.677 5.984 -7.799 1.00 0.00 H ATOM 540 HB2 ASP A 35 13.564 4.171 -5.552 1.00 0.00 H ATOM 541 HB3 ASP A 35 12.543 3.523 -6.858 1.00 0.00 H ATOM 542 H ASP A 35 13.643 6.395 -5.001 1.00 0.00 H ATOM 543 N ALA A 36 10.599 6.644 -5.813 1.00 0.40 N ATOM 544 CA ALA A 36 9.196 6.686 -5.402 1.00 0.37 C ATOM 545 C ALA A 36 8.236 6.295 -6.537 1.00 0.32 C ATOM 546 O ALA A 36 7.424 5.387 -6.359 1.00 0.33 O ATOM 547 CB ALA A 36 8.840 8.056 -4.839 1.00 0.43 C ATOM 548 HA ALA A 36 9.074 5.941 -4.616 1.00 0.00 H ATOM 549 HB1 ALA A 36 9.468 8.266 -3.973 1.00 0.00 H ATOM 550 HB2 ALA A 36 9.007 8.816 -5.603 1.00 0.00 H ATOM 551 HB3 ALA A 36 7.792 8.063 -4.540 1.00 0.00 H ATOM 552 H ALA A 36 11.197 7.479 -5.650 1.00 0.00 H ATOM 553 N PRO A 37 8.298 6.949 -7.722 1.00 0.35 N ATOM 554 CA PRO A 37 7.404 6.607 -8.837 1.00 0.37 C ATOM 555 C PRO A 37 7.674 5.208 -9.390 1.00 0.35 C ATOM 556 O PRO A 37 6.769 4.535 -9.883 1.00 0.42 O ATOM 557 CB PRO A 37 7.716 7.672 -9.895 1.00 0.46 C ATOM 558 CG PRO A 37 9.087 8.154 -9.566 1.00 0.50 C ATOM 559 CD PRO A 37 9.206 8.064 -8.072 1.00 0.42 C ATOM 560 HA PRO A 37 6.359 6.594 -8.527 1.00 0.00 H ATOM 561 HD3 PRO A 37 10.231 7.841 -7.775 1.00 0.00 H ATOM 562 HD2 PRO A 37 8.885 8.992 -7.598 1.00 0.00 H ATOM 563 HG3 PRO A 37 9.216 9.185 -9.896 1.00 0.00 H ATOM 564 HG2 PRO A 37 9.836 7.524 -10.045 1.00 0.00 H ATOM 565 HB2 PRO A 37 7.692 7.238 -10.895 1.00 0.00 H ATOM 566 HB3 PRO A 37 6.998 8.490 -9.838 1.00 0.00 H ATOM 567 N LYS A 38 8.922 4.769 -9.275 1.00 0.34 N ATOM 568 CA LYS A 38 9.327 3.463 -9.775 1.00 0.36 C ATOM 569 C LYS A 38 8.779 2.339 -8.895 1.00 0.34 C ATOM 570 O LYS A 38 8.239 1.354 -9.400 1.00 0.39 O ATOM 571 CB LYS A 38 10.858 3.389 -9.864 1.00 0.41 C ATOM 572 CG LYS A 38 11.396 2.079 -10.434 1.00 0.60 C ATOM 573 CD LYS A 38 10.710 1.689 -11.741 1.00 1.32 C ATOM 574 CE LYS A 38 10.834 2.773 -12.805 1.00 2.00 C ATOM 575 NZ LYS A 38 12.250 3.063 -13.161 1.00 2.78 N ATOM 576 HA LYS A 38 8.909 3.331 -10.773 1.00 0.00 H ATOM 577 HB2 LYS A 38 11.202 4.204 -10.500 1.00 0.00 H ATOM 578 HB3 LYS A 38 11.264 3.516 -8.861 1.00 0.00 H ATOM 579 HG2 LYS A 38 12.465 2.190 -10.618 1.00 0.00 H ATOM 580 HG3 LYS A 38 11.235 1.286 -9.703 1.00 0.00 H ATOM 581 HD2 LYS A 38 11.167 0.774 -12.118 1.00 0.00 H ATOM 582 HD3 LYS A 38 9.653 1.511 -11.543 1.00 0.00 H ATOM 583 HE2 LYS A 38 10.374 3.687 -12.429 1.00 0.00 H ATOM 584 HE3 LYS A 38 10.308 2.445 -13.702 1.00 0.00 H ATOM 585 HZ1 LYS A 38 12.760 3.385 -12.314 1.00 0.00 H ATOM 586 HZ2 LYS A 38 12.697 2.199 -13.529 1.00 0.00 H ATOM 587 HZ3 LYS A 38 12.278 3.806 -13.888 1.00 0.00 H ATOM 588 H LYS A 38 9.630 5.375 -8.815 1.00 0.00 H ATOM 589 N VAL A 39 8.907 2.483 -7.580 1.00 0.31 N ATOM 590 CA VAL A 39 8.407 1.464 -6.666 1.00 0.31 C ATOM 591 C VAL A 39 6.883 1.477 -6.630 1.00 0.29 C ATOM 592 O VAL A 39 6.252 0.460 -6.357 1.00 0.31 O ATOM 593 CB VAL A 39 8.969 1.624 -5.235 1.00 0.34 C ATOM 594 CG1 VAL A 39 10.481 1.462 -5.238 1.00 0.39 C ATOM 595 CG2 VAL A 39 8.566 2.958 -4.629 1.00 0.33 C ATOM 596 HA VAL A 39 8.754 0.504 -7.047 1.00 0.00 H ATOM 597 HB VAL A 39 8.539 0.839 -4.613 1.00 0.00 H ATOM 598 HG11 VAL A 39 10.738 0.471 -5.612 1.00 0.00 H ATOM 599 HG12 VAL A 39 10.925 2.221 -5.881 1.00 0.00 H ATOM 600 HG13 VAL A 39 10.860 1.578 -4.222 1.00 0.00 H ATOM 601 HG21 VAL A 39 8.953 3.768 -5.247 1.00 0.00 H ATOM 602 HG22 VAL A 39 7.479 3.022 -4.584 1.00 0.00 H ATOM 603 HG23 VAL A 39 8.978 3.038 -3.623 1.00 0.00 H ATOM 604 H VAL A 39 9.369 3.333 -7.199 1.00 0.00 H ATOM 605 N ALA A 40 6.301 2.633 -6.929 1.00 0.27 N ATOM 606 CA ALA A 40 4.855 2.784 -6.941 1.00 0.28 C ATOM 607 C ALA A 40 4.227 1.987 -8.079 1.00 0.28 C ATOM 608 O ALA A 40 3.258 1.254 -7.872 1.00 0.29 O ATOM 609 CB ALA A 40 4.479 4.250 -7.049 1.00 0.32 C ATOM 610 HA ALA A 40 4.466 2.390 -6.002 1.00 0.00 H ATOM 611 HB1 ALA A 40 4.887 4.792 -6.196 1.00 0.00 H ATOM 612 HB2 ALA A 40 4.888 4.662 -7.972 1.00 0.00 H ATOM 613 HB3 ALA A 40 3.393 4.346 -7.057 1.00 0.00 H ATOM 614 H ALA A 40 6.897 3.453 -7.161 1.00 0.00 H ATOM 615 N GLU A 41 4.783 2.122 -9.281 1.00 0.31 N ATOM 616 CA GLU A 41 4.257 1.402 -10.431 1.00 0.36 C ATOM 617 C GLU A 41 4.542 -0.091 -10.301 1.00 0.35 C ATOM 618 O GLU A 41 3.715 -0.919 -10.680 1.00 0.38 O ATOM 619 CB GLU A 41 4.819 1.955 -11.746 1.00 0.44 C ATOM 620 CG GLU A 41 6.330 1.882 -11.866 1.00 0.52 C ATOM 621 CD GLU A 41 6.791 1.879 -13.307 1.00 0.74 C ATOM 622 OE1 GLU A 41 6.237 2.651 -14.120 1.00 1.37 O ATOM 623 OE2 GLU A 41 7.707 1.100 -13.638 1.00 1.40 O ATOM 624 HA GLU A 41 3.177 1.547 -10.452 1.00 0.00 H ATOM 625 HB2 GLU A 41 4.384 1.386 -12.568 1.00 0.00 H ATOM 626 HB3 GLU A 41 4.521 3.000 -11.831 1.00 0.00 H ATOM 627 HG2 GLU A 41 6.764 2.744 -11.360 1.00 0.00 H ATOM 628 HG3 GLU A 41 6.677 0.968 -11.385 1.00 0.00 H ATOM 629 H GLU A 41 5.604 2.750 -9.400 1.00 0.00 H ATOM 630 N MET A 42 5.705 -0.431 -9.744 1.00 0.35 N ATOM 631 CA MET A 42 6.075 -1.829 -9.545 1.00 0.40 C ATOM 632 C MET A 42 5.108 -2.483 -8.569 1.00 0.35 C ATOM 633 O MET A 42 4.664 -3.611 -8.778 1.00 0.35 O ATOM 634 CB MET A 42 7.506 -1.944 -9.019 1.00 0.51 C ATOM 635 CG MET A 42 8.482 -2.494 -10.042 1.00 1.09 C ATOM 636 SD MET A 42 10.080 -2.925 -9.319 1.00 0.98 S ATOM 637 CE MET A 42 10.658 -1.315 -8.788 1.00 1.51 C ATOM 638 HA MET A 42 6.022 -2.341 -10.506 1.00 0.00 H ATOM 639 HB2 MET A 42 7.844 -0.953 -8.717 1.00 0.00 H ATOM 640 HB3 MET A 42 7.504 -2.606 -8.153 1.00 0.00 H ATOM 641 HG2 MET A 42 8.640 -1.741 -10.814 1.00 0.00 H ATOM 642 HG3 MET A 42 8.050 -3.388 -10.491 1.00 0.00 H ATOM 643 HE1 MET A 42 10.734 -0.655 -9.652 1.00 0.00 H ATOM 644 HE2 MET A 42 9.953 -0.896 -8.070 1.00 0.00 H ATOM 645 HE3 MET A 42 11.637 -1.418 -8.320 1.00 0.00 H ATOM 646 H MET A 42 6.363 0.317 -9.445 1.00 0.00 H ATOM 647 N TRP A 43 4.784 -1.753 -7.506 1.00 0.32 N ATOM 648 CA TRP A 43 3.848 -2.226 -6.496 1.00 0.30 C ATOM 649 C TRP A 43 2.488 -2.471 -7.139 1.00 0.27 C ATOM 650 O TRP A 43 1.874 -3.522 -6.946 1.00 0.28 O ATOM 651 CB TRP A 43 3.740 -1.188 -5.373 1.00 0.30 C ATOM 652 CG TRP A 43 2.715 -1.503 -4.328 1.00 0.30 C ATOM 653 CD1 TRP A 43 2.831 -2.404 -3.312 1.00 0.34 C ATOM 654 CD2 TRP A 43 1.424 -0.899 -4.186 1.00 0.31 C ATOM 655 NE1 TRP A 43 1.690 -2.400 -2.547 1.00 0.37 N ATOM 656 CE2 TRP A 43 0.810 -1.487 -3.067 1.00 0.35 C ATOM 657 CE3 TRP A 43 0.727 0.079 -4.902 1.00 0.34 C ATOM 658 CZ2 TRP A 43 -0.467 -1.126 -2.643 1.00 0.40 C ATOM 659 CZ3 TRP A 43 -0.539 0.434 -4.481 1.00 0.39 C ATOM 660 CH2 TRP A 43 -1.125 -0.168 -3.363 1.00 0.41 C ATOM 661 HA TRP A 43 4.204 -3.163 -6.069 1.00 0.00 H ATOM 662 HB2 TRP A 43 4.712 -1.113 -4.885 1.00 0.00 H ATOM 663 HB3 TRP A 43 3.485 -0.228 -5.821 1.00 0.00 H ATOM 664 HE1 TRP A 43 1.521 -2.993 -1.710 1.00 0.00 H ATOM 665 HD1 TRP A 43 3.701 -3.035 -3.133 1.00 0.00 H ATOM 666 HZ2 TRP A 43 -0.925 -1.590 -1.769 1.00 0.00 H ATOM 667 HH2 TRP A 43 -2.128 0.133 -3.059 1.00 0.00 H ATOM 668 HZ3 TRP A 43 -1.091 1.197 -5.030 1.00 0.00 H ATOM 669 HE3 TRP A 43 1.175 0.552 -5.776 1.00 0.00 H ATOM 670 H TRP A 43 5.214 -0.813 -7.392 1.00 0.00 H ATOM 671 N LYS A 44 2.047 -1.495 -7.930 1.00 0.27 N ATOM 672 CA LYS A 44 0.775 -1.577 -8.632 1.00 0.28 C ATOM 673 C LYS A 44 0.750 -2.789 -9.558 1.00 0.30 C ATOM 674 O LYS A 44 -0.172 -3.602 -9.507 1.00 0.31 O ATOM 675 CB LYS A 44 0.545 -0.295 -9.441 1.00 0.32 C ATOM 676 CG LYS A 44 -0.718 -0.320 -10.290 1.00 0.46 C ATOM 677 CD LYS A 44 -0.806 0.889 -11.212 1.00 0.66 C ATOM 678 CE LYS A 44 0.257 0.852 -12.303 1.00 1.03 C ATOM 679 NZ LYS A 44 0.084 1.960 -13.280 1.00 1.11 N ATOM 680 HA LYS A 44 -0.022 -1.687 -7.897 1.00 0.00 H ATOM 681 HB2 LYS A 44 0.475 0.542 -8.746 1.00 0.00 H ATOM 682 HB3 LYS A 44 1.400 -0.147 -10.101 1.00 0.00 H ATOM 683 HG2 LYS A 44 -0.718 -1.226 -10.896 1.00 0.00 H ATOM 684 HG3 LYS A 44 -1.586 -0.325 -9.631 1.00 0.00 H ATOM 685 HD2 LYS A 44 -1.790 0.905 -11.680 1.00 0.00 H ATOM 686 HD3 LYS A 44 -0.672 1.794 -10.620 1.00 0.00 H ATOM 687 HE2 LYS A 44 0.188 -0.099 -12.831 1.00 0.00 H ATOM 688 HE3 LYS A 44 1.240 0.939 -11.841 1.00 0.00 H ATOM 689 HZ1 LYS A 44 -0.850 1.881 -13.730 1.00 0.00 H ATOM 690 HZ2 LYS A 44 0.155 2.872 -12.785 1.00 0.00 H ATOM 691 HZ3 LYS A 44 0.826 1.900 -14.006 1.00 0.00 H ATOM 692 H LYS A 44 2.632 -0.644 -8.050 1.00 0.00 H ATOM 693 N GLU A 45 1.780 -2.908 -10.391 1.00 0.35 N ATOM 694 CA GLU A 45 1.885 -4.010 -11.340 1.00 0.41 C ATOM 695 C GLU A 45 1.881 -5.362 -10.633 1.00 0.40 C ATOM 696 O GLU A 45 1.203 -6.293 -11.067 1.00 0.46 O ATOM 697 CB GLU A 45 3.162 -3.879 -12.168 1.00 0.51 C ATOM 698 CG GLU A 45 3.052 -2.897 -13.325 1.00 0.73 C ATOM 699 CD GLU A 45 4.188 -3.049 -14.314 1.00 1.21 C ATOM 700 OE1 GLU A 45 4.375 -4.169 -14.837 1.00 1.96 O ATOM 701 OE2 GLU A 45 4.910 -2.061 -14.561 1.00 1.76 O ATOM 702 HA GLU A 45 1.015 -3.959 -11.994 1.00 0.00 H ATOM 703 HB2 GLU A 45 3.965 -3.545 -11.510 1.00 0.00 H ATOM 704 HB3 GLU A 45 3.410 -4.860 -12.573 1.00 0.00 H ATOM 705 HG2 GLU A 45 2.109 -3.070 -13.844 1.00 0.00 H ATOM 706 HG3 GLU A 45 3.066 -1.882 -12.927 1.00 0.00 H ATOM 707 H GLU A 45 2.534 -2.192 -10.365 1.00 0.00 H ATOM 708 N TYR A 46 2.632 -5.458 -9.542 1.00 0.39 N ATOM 709 CA TYR A 46 2.728 -6.697 -8.780 1.00 0.42 C ATOM 710 C TYR A 46 1.366 -7.129 -8.248 1.00 0.40 C ATOM 711 O TYR A 46 0.973 -8.282 -8.402 1.00 0.45 O ATOM 712 CB TYR A 46 3.717 -6.534 -7.625 1.00 0.45 C ATOM 713 CG TYR A 46 4.261 -7.847 -7.104 1.00 0.59 C ATOM 714 CD1 TYR A 46 5.120 -8.616 -7.877 1.00 1.39 C ATOM 715 CD2 TYR A 46 3.919 -8.316 -5.841 1.00 1.06 C ATOM 716 CE1 TYR A 46 5.619 -9.818 -7.411 1.00 1.58 C ATOM 717 CE2 TYR A 46 4.415 -9.516 -5.367 1.00 1.12 C ATOM 718 CZ TYR A 46 5.267 -10.262 -6.155 1.00 1.03 C ATOM 719 OH TYR A 46 5.763 -11.458 -5.686 1.00 1.27 O ATOM 720 HA TYR A 46 3.089 -7.475 -9.452 1.00 0.00 H ATOM 721 HB3 TYR A 46 3.211 -6.021 -6.807 1.00 0.00 H ATOM 722 HB2 TYR A 46 4.554 -5.927 -7.970 1.00 0.00 H ATOM 723 HD2 TYR A 46 3.249 -7.728 -5.214 1.00 0.00 H ATOM 724 HE2 TYR A 46 4.134 -9.871 -4.375 1.00 0.00 H ATOM 725 HE1 TYR A 46 6.288 -10.412 -8.034 1.00 0.00 H ATOM 726 HD1 TYR A 46 5.406 -8.266 -8.869 1.00 0.00 H ATOM 727 HH TYR A 46 6.353 -11.861 -6.371 1.00 0.00 H ATOM 728 H TYR A 46 3.167 -4.625 -9.222 1.00 0.00 H ATOM 729 N MET A 47 0.633 -6.197 -7.653 1.00 0.36 N ATOM 730 CA MET A 47 -0.678 -6.507 -7.092 1.00 0.39 C ATOM 731 C MET A 47 -1.722 -6.744 -8.186 1.00 0.37 C ATOM 732 O MET A 47 -2.824 -7.229 -7.910 1.00 0.43 O ATOM 733 CB MET A 47 -1.135 -5.391 -6.154 1.00 0.42 C ATOM 734 CG MET A 47 -0.308 -5.300 -4.881 1.00 0.57 C ATOM 735 SD MET A 47 -1.130 -4.365 -3.576 1.00 0.70 S ATOM 736 CE MET A 47 -2.567 -5.386 -3.265 1.00 0.37 C ATOM 737 HA MET A 47 -0.581 -7.431 -6.523 1.00 0.00 H ATOM 738 HB2 MET A 47 -1.061 -4.441 -6.684 1.00 0.00 H ATOM 739 HB3 MET A 47 -2.174 -5.573 -5.880 1.00 0.00 H ATOM 740 HG2 MET A 47 0.639 -4.813 -5.115 1.00 0.00 H ATOM 741 HG3 MET A 47 -0.116 -6.310 -4.518 1.00 0.00 H ATOM 742 HE1 MET A 47 -3.158 -5.467 -4.177 1.00 0.00 H ATOM 743 HE2 MET A 47 -2.245 -6.378 -2.950 1.00 0.00 H ATOM 744 HE3 MET A 47 -3.171 -4.932 -2.479 1.00 0.00 H ATOM 745 H MET A 47 1.000 -5.226 -7.585 1.00 0.00 H ATOM 746 N LEU A 48 -1.376 -6.407 -9.422 1.00 0.37 N ATOM 747 CA LEU A 48 -2.281 -6.601 -10.549 1.00 0.41 C ATOM 748 C LEU A 48 -1.992 -7.924 -11.249 1.00 0.46 C ATOM 749 O LEU A 48 -2.746 -8.351 -12.127 1.00 0.59 O ATOM 750 CB LEU A 48 -2.169 -5.448 -11.548 1.00 0.45 C ATOM 751 CG LEU A 48 -2.718 -4.104 -11.062 1.00 0.57 C ATOM 752 CD1 LEU A 48 -2.548 -3.046 -12.140 1.00 0.63 C ATOM 753 CD2 LEU A 48 -4.183 -4.229 -10.661 1.00 0.88 C ATOM 754 HA LEU A 48 -3.298 -6.623 -10.158 1.00 0.00 H ATOM 755 HB2 LEU A 48 -1.115 -5.313 -11.790 1.00 0.00 H ATOM 756 HB3 LEU A 48 -2.715 -5.729 -12.449 1.00 0.00 H ATOM 757 HG LEU A 48 -2.152 -3.800 -10.182 1.00 0.00 H ATOM 758 HD21 LEU A 48 -4.767 -4.557 -11.521 1.00 0.00 H ATOM 759 HD22 LEU A 48 -4.277 -4.959 -9.857 1.00 0.00 H ATOM 760 HD23 LEU A 48 -4.549 -3.261 -10.320 1.00 0.00 H ATOM 761 HD11 LEU A 48 -1.489 -2.935 -12.375 1.00 0.00 H ATOM 762 HD12 LEU A 48 -3.090 -3.351 -13.035 1.00 0.00 H ATOM 763 HD13 LEU A 48 -2.943 -2.096 -11.780 1.00 0.00 H ATOM 764 H LEU A 48 -0.436 -5.994 -9.591 1.00 0.00 H ATOM 765 N ARG A 49 -0.901 -8.570 -10.859 1.00 0.46 N ATOM 766 CA ARG A 49 -0.522 -9.847 -11.444 1.00 0.53 C ATOM 767 C ARG A 49 -1.334 -10.979 -10.825 1.00 0.54 C ATOM 768 O ARG A 49 -1.418 -11.096 -9.603 1.00 0.49 O ATOM 769 CB ARG A 49 0.974 -10.116 -11.250 1.00 0.60 C ATOM 770 CG ARG A 49 1.870 -9.280 -12.148 1.00 0.74 C ATOM 771 CD ARG A 49 3.324 -9.719 -12.056 1.00 1.01 C ATOM 772 NE ARG A 49 3.519 -11.078 -12.559 1.00 1.38 N ATOM 773 CZ ARG A 49 4.596 -11.825 -12.307 1.00 1.90 C ATOM 774 NH1 ARG A 49 5.587 -11.343 -11.567 1.00 2.19 N ATOM 775 NH2 ARG A 49 4.689 -13.048 -12.815 1.00 2.69 N ATOM 776 HA ARG A 49 -0.731 -9.801 -12.513 1.00 0.00 H ATOM 777 HB2 ARG A 49 1.230 -9.901 -10.213 1.00 0.00 H ATOM 778 HB3 ARG A 49 1.164 -11.169 -11.459 1.00 0.00 H ATOM 779 HG2 ARG A 49 1.534 -9.384 -13.179 1.00 0.00 H ATOM 780 HG3 ARG A 49 1.796 -8.235 -11.847 1.00 0.00 H ATOM 781 HD2 ARG A 49 3.638 -9.681 -11.013 1.00 0.00 H ATOM 782 HD3 ARG A 49 3.936 -9.035 -12.643 1.00 0.00 H ATOM 783 HE ARG A 49 2.770 -11.489 -13.152 1.00 0.00 H ATOM 784 HH12 ARG A 49 6.424 -11.929 -11.374 1.00 0.00 H ATOM 785 HH11 ARG A 49 5.526 -10.379 -11.181 1.00 0.00 H ATOM 786 HH22 ARG A 49 5.528 -13.630 -12.619 1.00 0.00 H ATOM 787 HH21 ARG A 49 3.923 -13.424 -13.409 1.00 0.00 H ATOM 788 H ARG A 49 -0.302 -8.154 -10.117 1.00 0.00 H ATOM 789 N PRO A 50 -1.933 -11.834 -11.667 1.00 0.65 N ATOM 790 CA PRO A 50 -2.746 -12.968 -11.209 1.00 0.71 C ATOM 791 C PRO A 50 -1.904 -14.064 -10.559 1.00 0.73 C ATOM 792 O PRO A 50 -2.434 -15.018 -9.989 1.00 0.78 O ATOM 793 CB PRO A 50 -3.393 -13.483 -12.497 1.00 0.89 C ATOM 794 CG PRO A 50 -2.451 -13.079 -13.574 1.00 0.94 C ATOM 795 CD PRO A 50 -1.870 -11.763 -13.139 1.00 0.77 C ATOM 796 HA PRO A 50 -3.463 -12.672 -10.444 1.00 0.00 H ATOM 797 HD3 PRO A 50 -0.841 -11.658 -13.481 1.00 0.00 H ATOM 798 HD2 PRO A 50 -2.464 -10.930 -13.516 1.00 0.00 H ATOM 799 HG3 PRO A 50 -2.981 -12.966 -14.520 1.00 0.00 H ATOM 800 HG2 PRO A 50 -1.663 -13.823 -13.688 1.00 0.00 H ATOM 801 HB2 PRO A 50 -3.502 -14.567 -12.467 1.00 0.00 H ATOM 802 HB3 PRO A 50 -4.370 -13.025 -12.648 1.00 0.00 H ATOM 803 N SER A 51 -0.591 -13.930 -10.666 1.00 0.75 N ATOM 804 CA SER A 51 0.333 -14.889 -10.083 1.00 0.84 C ATOM 805 C SER A 51 0.504 -14.614 -8.593 1.00 0.76 C ATOM 806 O SER A 51 0.954 -15.471 -7.832 1.00 0.90 O ATOM 807 CB SER A 51 1.682 -14.789 -10.794 1.00 0.96 C ATOM 808 OG SER A 51 1.653 -13.760 -11.775 1.00 1.33 O ATOM 809 HA SER A 51 -0.066 -15.896 -10.206 1.00 0.00 H ATOM 810 HB2 SER A 51 1.904 -15.740 -11.278 1.00 0.00 H ATOM 811 HB3 SER A 51 2.458 -14.565 -10.062 1.00 0.00 H ATOM 812 HG SER A 51 2.533 -13.710 -12.225 1.00 0.00 H ATOM 813 H SER A 51 -0.209 -13.113 -11.183 1.00 0.00 H ATOM 814 N VAL A 52 0.124 -13.410 -8.190 1.00 0.59 N ATOM 815 CA VAL A 52 0.231 -12.992 -6.806 1.00 0.56 C ATOM 816 C VAL A 52 -1.039 -13.354 -6.041 1.00 0.50 C ATOM 817 O VAL A 52 -2.107 -12.793 -6.289 1.00 0.51 O ATOM 818 CB VAL A 52 0.496 -11.475 -6.716 1.00 0.52 C ATOM 819 CG1 VAL A 52 0.592 -11.017 -5.270 1.00 0.58 C ATOM 820 CG2 VAL A 52 1.765 -11.123 -7.477 1.00 0.57 C ATOM 821 HA VAL A 52 1.072 -13.517 -6.353 1.00 0.00 H ATOM 822 HB VAL A 52 -0.345 -10.953 -7.171 1.00 0.00 H ATOM 823 HG11 VAL A 52 -0.344 -11.237 -4.757 1.00 0.00 H ATOM 824 HG12 VAL A 52 1.410 -11.543 -4.777 1.00 0.00 H ATOM 825 HG13 VAL A 52 0.779 -9.944 -5.242 1.00 0.00 H ATOM 826 HG21 VAL A 52 2.608 -11.661 -7.044 1.00 0.00 H ATOM 827 HG22 VAL A 52 1.650 -11.406 -8.523 1.00 0.00 H ATOM 828 HG23 VAL A 52 1.943 -10.050 -7.407 1.00 0.00 H ATOM 829 H VAL A 52 -0.263 -12.744 -8.889 1.00 0.00 H ATOM 830 N ASN A 53 -0.914 -14.311 -5.128 1.00 0.51 N ATOM 831 CA ASN A 53 -2.044 -14.769 -4.323 1.00 0.52 C ATOM 832 C ASN A 53 -2.483 -13.688 -3.334 1.00 0.48 C ATOM 833 O ASN A 53 -1.730 -12.750 -3.049 1.00 0.47 O ATOM 834 CB ASN A 53 -1.664 -16.054 -3.576 1.00 0.61 C ATOM 835 CG ASN A 53 -2.849 -16.739 -2.916 1.00 1.09 C ATOM 836 OD1 ASN A 53 -3.990 -16.601 -3.357 1.00 1.80 O ATOM 837 ND2 ASN A 53 -2.584 -17.483 -1.853 1.00 1.64 N ATOM 838 HA ASN A 53 -2.882 -14.978 -4.988 1.00 0.00 H ATOM 839 HB2 ASN A 53 -1.215 -16.748 -4.287 1.00 0.00 H ATOM 840 HB3 ASN A 53 -0.935 -15.804 -2.805 1.00 0.00 H ATOM 841 HD22 ASN A 53 -1.606 -17.573 -1.512 1.00 0.00 H ATOM 842 HD21 ASN A 53 -3.354 -17.977 -1.359 1.00 0.00 H ATOM 843 H ASN A 53 0.018 -14.748 -4.982 1.00 0.00 H ATOM 844 N THR A 54 -3.691 -13.838 -2.800 1.00 0.48 N ATOM 845 CA THR A 54 -4.255 -12.886 -1.853 1.00 0.49 C ATOM 846 C THR A 54 -3.318 -12.635 -0.671 1.00 0.47 C ATOM 847 O THR A 54 -3.235 -11.517 -0.158 1.00 0.47 O ATOM 848 CB THR A 54 -5.611 -13.392 -1.336 1.00 0.57 C ATOM 849 OG1 THR A 54 -5.733 -14.797 -1.608 1.00 0.75 O ATOM 850 CG2 THR A 54 -6.758 -12.645 -1.996 1.00 0.81 C ATOM 851 HA THR A 54 -4.391 -11.943 -2.382 1.00 0.00 H ATOM 852 HB THR A 54 -5.659 -13.216 -0.261 1.00 0.00 H ATOM 853 HG1 THR A 54 -5.674 -14.949 -2.584 1.00 0.00 H ATOM 854 HG23 THR A 54 -6.663 -11.579 -1.788 1.00 0.00 H ATOM 855 HG21 THR A 54 -6.726 -12.811 -3.073 1.00 0.00 H ATOM 856 HG22 THR A 54 -7.705 -13.011 -1.599 1.00 0.00 H ATOM 857 H THR A 54 -4.256 -14.669 -3.069 1.00 0.00 H ATOM 858 N ARG A 55 -2.603 -13.680 -0.257 1.00 0.50 N ATOM 859 CA ARG A 55 -1.662 -13.580 0.854 1.00 0.54 C ATOM 860 C ARG A 55 -0.603 -12.522 0.563 1.00 0.49 C ATOM 861 O ARG A 55 -0.324 -11.657 1.390 1.00 0.50 O ATOM 862 CB ARG A 55 -0.978 -14.928 1.103 1.00 0.65 C ATOM 863 CG ARG A 55 -1.938 -16.074 1.396 1.00 0.94 C ATOM 864 CD ARG A 55 -2.727 -15.851 2.682 1.00 1.52 C ATOM 865 NE ARG A 55 -1.904 -15.315 3.771 1.00 2.10 N ATOM 866 CZ ARG A 55 -0.991 -16.018 4.452 1.00 2.74 C ATOM 867 NH1 ARG A 55 -0.773 -17.297 4.169 1.00 3.00 N ATOM 868 NH2 ARG A 55 -0.307 -15.435 5.428 1.00 3.58 N ATOM 869 HA ARG A 55 -2.221 -13.293 1.744 1.00 0.00 H ATOM 870 HB2 ARG A 55 -0.399 -15.186 0.217 1.00 0.00 H ATOM 871 HB3 ARG A 55 -0.307 -14.818 1.955 1.00 0.00 H ATOM 872 HG2 ARG A 55 -2.638 -16.166 0.566 1.00 0.00 H ATOM 873 HG3 ARG A 55 -1.365 -16.996 1.491 1.00 0.00 H ATOM 874 HD2 ARG A 55 -3.149 -16.804 3.001 1.00 0.00 H ATOM 875 HD3 ARG A 55 -3.534 -15.148 2.477 1.00 0.00 H ATOM 876 HE ARG A 55 -2.039 -14.318 4.033 1.00 0.00 H ATOM 877 HH12 ARG A 55 -0.061 -17.834 4.704 1.00 0.00 H ATOM 878 HH11 ARG A 55 -1.314 -17.762 3.412 1.00 0.00 H ATOM 879 HH22 ARG A 55 0.404 -15.977 5.960 1.00 0.00 H ATOM 880 HH21 ARG A 55 -0.481 -14.436 5.661 1.00 0.00 H ATOM 881 H ARG A 55 -2.719 -14.594 -0.740 1.00 0.00 H ATOM 882 N ARG A 56 -0.030 -12.592 -0.632 1.00 0.49 N ATOM 883 CA ARG A 56 1.005 -11.654 -1.043 1.00 0.48 C ATOM 884 C ARG A 56 0.411 -10.271 -1.300 1.00 0.43 C ATOM 885 O ARG A 56 1.045 -9.257 -1.016 1.00 0.46 O ATOM 886 CB ARG A 56 1.730 -12.160 -2.293 1.00 0.53 C ATOM 887 CG ARG A 56 2.759 -13.249 -2.021 1.00 0.67 C ATOM 888 CD ARG A 56 3.969 -12.703 -1.279 1.00 0.84 C ATOM 889 NE ARG A 56 5.104 -13.625 -1.337 1.00 1.55 N ATOM 890 CZ ARG A 56 5.613 -14.264 -0.284 1.00 2.18 C ATOM 891 NH1 ARG A 56 5.118 -14.065 0.934 1.00 2.58 N ATOM 892 NH2 ARG A 56 6.626 -15.103 -0.452 1.00 3.05 N ATOM 893 HA ARG A 56 1.728 -11.574 -0.232 1.00 0.00 H ATOM 894 HB2 ARG A 56 0.985 -12.558 -2.983 1.00 0.00 H ATOM 895 HB3 ARG A 56 2.240 -11.316 -2.758 1.00 0.00 H ATOM 896 HG2 ARG A 56 2.297 -14.030 -1.418 1.00 0.00 H ATOM 897 HG3 ARG A 56 3.087 -13.671 -2.971 1.00 0.00 H ATOM 898 HD2 ARG A 56 3.699 -12.540 -0.236 1.00 0.00 H ATOM 899 HD3 ARG A 56 4.261 -11.755 -1.730 1.00 0.00 H ATOM 900 HE ARG A 56 5.544 -13.793 -2.264 1.00 0.00 H ATOM 901 HH12 ARG A 56 5.523 -14.569 1.749 1.00 0.00 H ATOM 902 HH11 ARG A 56 4.326 -13.405 1.072 1.00 0.00 H ATOM 903 HH22 ARG A 56 7.027 -15.604 0.366 1.00 0.00 H ATOM 904 HH21 ARG A 56 7.019 -15.260 -1.402 1.00 0.00 H ATOM 905 H ARG A 56 -0.328 -13.337 -1.293 1.00 0.00 H ATOM 906 N LYS A 57 -0.807 -10.234 -1.835 1.00 0.38 N ATOM 907 CA LYS A 57 -1.479 -8.968 -2.113 1.00 0.36 C ATOM 908 C LYS A 57 -1.694 -8.186 -0.821 1.00 0.35 C ATOM 909 O LYS A 57 -1.377 -6.999 -0.742 1.00 0.36 O ATOM 910 CB LYS A 57 -2.827 -9.199 -2.808 1.00 0.37 C ATOM 911 CG LYS A 57 -2.718 -9.699 -4.243 1.00 0.39 C ATOM 912 CD LYS A 57 -3.949 -9.315 -5.056 1.00 0.59 C ATOM 913 CE LYS A 57 -3.955 -9.982 -6.424 1.00 0.50 C ATOM 914 NZ LYS A 57 -4.869 -9.292 -7.379 1.00 0.46 N ATOM 915 HA LYS A 57 -0.840 -8.391 -2.781 1.00 0.00 H ATOM 916 HB2 LYS A 57 -3.386 -9.936 -2.232 1.00 0.00 H ATOM 917 HB3 LYS A 57 -3.373 -8.256 -2.816 1.00 0.00 H ATOM 918 HG2 LYS A 57 -1.834 -9.260 -4.707 1.00 0.00 H ATOM 919 HG3 LYS A 57 -2.621 -10.785 -4.235 1.00 0.00 H ATOM 920 HD2 LYS A 57 -4.842 -9.621 -4.510 1.00 0.00 H ATOM 921 HD3 LYS A 57 -3.960 -8.233 -5.191 1.00 0.00 H ATOM 922 HE2 LYS A 57 -4.280 -11.016 -6.310 1.00 0.00 H ATOM 923 HE3 LYS A 57 -2.943 -9.963 -6.829 1.00 0.00 H ATOM 924 HZ1 LYS A 57 -5.839 -9.311 -7.004 1.00 0.00 H ATOM 925 HZ2 LYS A 57 -4.562 -8.306 -7.500 1.00 0.00 H ATOM 926 HZ3 LYS A 57 -4.841 -9.780 -8.297 1.00 0.00 H ATOM 927 H LYS A 57 -1.291 -11.127 -2.060 1.00 0.00 H ATOM 928 N LEU A 58 -2.219 -8.864 0.193 1.00 0.36 N ATOM 929 CA LEU A 58 -2.472 -8.239 1.485 1.00 0.37 C ATOM 930 C LEU A 58 -1.160 -7.791 2.126 1.00 0.37 C ATOM 931 O LEU A 58 -1.094 -6.736 2.759 1.00 0.38 O ATOM 932 CB LEU A 58 -3.206 -9.216 2.407 1.00 0.42 C ATOM 933 CG LEU A 58 -3.766 -8.605 3.692 1.00 0.77 C ATOM 934 CD1 LEU A 58 -4.905 -7.644 3.382 1.00 1.26 C ATOM 935 CD2 LEU A 58 -4.230 -9.701 4.638 1.00 1.15 C ATOM 936 HA LEU A 58 -3.100 -7.361 1.331 1.00 0.00 H ATOM 937 HB2 LEU A 58 -4.037 -9.647 1.849 1.00 0.00 H ATOM 938 HB3 LEU A 58 -2.508 -10.006 2.685 1.00 0.00 H ATOM 939 HG LEU A 58 -2.972 -8.040 4.179 1.00 0.00 H ATOM 940 HD21 LEU A 58 -5.009 -10.291 4.155 1.00 0.00 H ATOM 941 HD22 LEU A 58 -3.387 -10.345 4.887 1.00 0.00 H ATOM 942 HD23 LEU A 58 -4.626 -9.250 5.548 1.00 0.00 H ATOM 943 HD11 LEU A 58 -4.538 -6.842 2.742 1.00 0.00 H ATOM 944 HD12 LEU A 58 -5.704 -8.182 2.871 1.00 0.00 H ATOM 945 HD13 LEU A 58 -5.286 -7.223 4.312 1.00 0.00 H ATOM 946 H LEU A 58 -2.456 -9.868 0.062 1.00 0.00 H ATOM 947 N LEU A 59 -0.117 -8.593 1.939 1.00 0.38 N ATOM 948 CA LEU A 59 1.199 -8.287 2.488 1.00 0.40 C ATOM 949 C LEU A 59 1.759 -7.015 1.860 1.00 0.37 C ATOM 950 O LEU A 59 2.270 -6.138 2.557 1.00 0.38 O ATOM 951 CB LEU A 59 2.160 -9.456 2.252 1.00 0.45 C ATOM 952 CG LEU A 59 2.529 -10.269 3.496 1.00 0.63 C ATOM 953 CD1 LEU A 59 3.317 -9.417 4.475 1.00 1.54 C ATOM 954 CD2 LEU A 59 1.284 -10.835 4.164 1.00 1.21 C ATOM 955 HA LEU A 59 1.094 -8.129 3.561 1.00 0.00 H ATOM 956 HB2 LEU A 59 1.696 -10.132 1.534 1.00 0.00 H ATOM 957 HB3 LEU A 59 3.080 -9.054 1.828 1.00 0.00 H ATOM 958 HG LEU A 59 3.155 -11.104 3.182 1.00 0.00 H ATOM 959 HD21 LEU A 59 0.629 -10.016 4.461 1.00 0.00 H ATOM 960 HD22 LEU A 59 0.760 -11.485 3.463 1.00 0.00 H ATOM 961 HD23 LEU A 59 1.574 -11.408 5.045 1.00 0.00 H ATOM 962 HD11 LEU A 59 4.232 -9.067 3.996 1.00 0.00 H ATOM 963 HD12 LEU A 59 2.714 -8.561 4.777 1.00 0.00 H ATOM 964 HD13 LEU A 59 3.570 -10.013 5.352 1.00 0.00 H ATOM 965 H LEU A 59 -0.243 -9.464 1.385 1.00 0.00 H ATOM 966 N GLY A 60 1.640 -6.915 0.540 1.00 0.37 N ATOM 967 CA GLY A 60 2.128 -5.747 -0.165 1.00 0.37 C ATOM 968 C GLY A 60 1.344 -4.501 0.190 1.00 0.35 C ATOM 969 O GLY A 60 1.884 -3.395 0.186 1.00 0.36 O ATOM 970 HA3 GLY A 60 2.044 -5.922 -1.238 1.00 0.00 H ATOM 971 HA2 GLY A 60 3.175 -5.590 0.095 1.00 0.00 H ATOM 972 H GLY A 60 1.190 -7.686 0.006 1.00 0.00 H ATOM 973 N LEU A 61 0.066 -4.683 0.500 1.00 0.35 N ATOM 974 CA LEU A 61 -0.805 -3.576 0.872 1.00 0.36 C ATOM 975 C LEU A 61 -0.332 -2.938 2.176 1.00 0.35 C ATOM 976 O LEU A 61 -0.388 -1.716 2.342 1.00 0.36 O ATOM 977 CB LEU A 61 -2.248 -4.068 1.020 1.00 0.40 C ATOM 978 CG LEU A 61 -3.255 -3.015 1.493 1.00 0.52 C ATOM 979 CD1 LEU A 61 -3.494 -1.972 0.411 1.00 1.23 C ATOM 980 CD2 LEU A 61 -4.565 -3.674 1.900 1.00 1.10 C ATOM 981 HA LEU A 61 -0.766 -2.824 0.084 1.00 0.00 H ATOM 982 HB2 LEU A 61 -2.579 -4.438 0.050 1.00 0.00 H ATOM 983 HB3 LEU A 61 -2.253 -4.886 1.740 1.00 0.00 H ATOM 984 HG LEU A 61 -2.837 -2.511 2.365 1.00 0.00 H ATOM 985 HD21 LEU A 61 -4.983 -4.206 1.046 1.00 0.00 H ATOM 986 HD22 LEU A 61 -4.380 -4.377 2.712 1.00 0.00 H ATOM 987 HD23 LEU A 61 -5.267 -2.909 2.233 1.00 0.00 H ATOM 988 HD11 LEU A 61 -2.553 -1.477 0.171 1.00 0.00 H ATOM 989 HD12 LEU A 61 -3.887 -2.459 -0.481 1.00 0.00 H ATOM 990 HD13 LEU A 61 -4.212 -1.235 0.771 1.00 0.00 H ATOM 991 H LEU A 61 -0.326 -5.646 0.477 1.00 0.00 H ATOM 992 N TYR A 62 0.153 -3.772 3.091 1.00 0.36 N ATOM 993 CA TYR A 62 0.638 -3.294 4.379 1.00 0.37 C ATOM 994 C TYR A 62 1.843 -2.378 4.199 1.00 0.34 C ATOM 995 O TYR A 62 1.960 -1.353 4.870 1.00 0.35 O ATOM 996 CB TYR A 62 1.021 -4.468 5.284 1.00 0.44 C ATOM 997 CG TYR A 62 -0.152 -5.295 5.769 1.00 0.53 C ATOM 998 CD1 TYR A 62 -1.400 -4.720 5.998 1.00 1.23 C ATOM 999 CD2 TYR A 62 -0.003 -6.653 6.016 1.00 1.30 C ATOM 1000 CE1 TYR A 62 -2.460 -5.477 6.457 1.00 1.35 C ATOM 1001 CE2 TYR A 62 -1.059 -7.416 6.470 1.00 1.38 C ATOM 1002 CZ TYR A 62 -2.284 -6.824 6.692 1.00 0.89 C ATOM 1003 OH TYR A 62 -3.334 -7.581 7.159 1.00 1.10 O ATOM 1004 HA TYR A 62 -0.169 -2.731 4.848 1.00 0.00 H ATOM 1005 HB3 TYR A 62 1.542 -4.071 6.155 1.00 0.00 H ATOM 1006 HB2 TYR A 62 1.693 -5.122 4.728 1.00 0.00 H ATOM 1007 HD2 TYR A 62 0.965 -7.125 5.848 1.00 0.00 H ATOM 1008 HE2 TYR A 62 -0.925 -8.482 6.652 1.00 0.00 H ATOM 1009 HE1 TYR A 62 -3.430 -5.012 6.632 1.00 0.00 H ATOM 1010 HD1 TYR A 62 -1.542 -3.655 5.812 1.00 0.00 H ATOM 1011 HH TYR A 62 -4.133 -7.006 7.263 1.00 0.00 H ATOM 1012 H TYR A 62 0.187 -4.790 2.882 1.00 0.00 H ATOM 1013 N LEU A 63 2.724 -2.744 3.277 1.00 0.33 N ATOM 1014 CA LEU A 63 3.923 -1.961 3.016 1.00 0.34 C ATOM 1015 C LEU A 63 3.567 -0.569 2.504 1.00 0.32 C ATOM 1016 O LEU A 63 4.230 0.413 2.839 1.00 0.35 O ATOM 1017 CB LEU A 63 4.821 -2.679 2.005 1.00 0.36 C ATOM 1018 CG LEU A 63 6.221 -2.079 1.841 1.00 0.52 C ATOM 1019 CD1 LEU A 63 7.025 -2.235 3.122 1.00 1.21 C ATOM 1020 CD2 LEU A 63 6.944 -2.731 0.676 1.00 1.45 C ATOM 1021 HA LEU A 63 4.464 -1.853 3.956 1.00 0.00 H ATOM 1022 HB2 LEU A 63 4.932 -3.714 2.327 1.00 0.00 H ATOM 1023 HB3 LEU A 63 4.326 -2.653 1.034 1.00 0.00 H ATOM 1024 HG LEU A 63 6.116 -1.015 1.631 1.00 0.00 H ATOM 1025 HD21 LEU A 63 7.036 -3.801 0.860 1.00 0.00 H ATOM 1026 HD22 LEU A 63 6.377 -2.566 -0.240 1.00 0.00 H ATOM 1027 HD23 LEU A 63 7.937 -2.292 0.575 1.00 0.00 H ATOM 1028 HD11 LEU A 63 6.513 -1.721 3.935 1.00 0.00 H ATOM 1029 HD12 LEU A 63 7.120 -3.294 3.363 1.00 0.00 H ATOM 1030 HD13 LEU A 63 8.016 -1.802 2.983 1.00 0.00 H ATOM 1031 H LEU A 63 2.554 -3.611 2.728 1.00 0.00 H ATOM 1032 N MET A 64 2.512 -0.490 1.701 1.00 0.31 N ATOM 1033 CA MET A 64 2.066 0.782 1.148 1.00 0.34 C ATOM 1034 C MET A 64 1.565 1.697 2.262 1.00 0.32 C ATOM 1035 O MET A 64 1.935 2.868 2.329 1.00 0.33 O ATOM 1036 CB MET A 64 0.964 0.561 0.109 1.00 0.38 C ATOM 1037 CG MET A 64 0.667 1.790 -0.740 1.00 0.61 C ATOM 1038 SD MET A 64 -0.607 2.853 -0.028 1.00 0.47 S ATOM 1039 CE MET A 64 -2.058 1.817 -0.205 1.00 0.50 C ATOM 1040 HA MET A 64 2.914 1.259 0.656 1.00 0.00 H ATOM 1041 HB2 MET A 64 1.272 -0.248 -0.553 1.00 0.00 H ATOM 1042 HB3 MET A 64 0.051 0.274 0.631 1.00 0.00 H ATOM 1043 HG2 MET A 64 0.334 1.460 -1.724 1.00 0.00 H ATOM 1044 HG3 MET A 64 1.584 2.370 -0.844 1.00 0.00 H ATOM 1045 HE1 MET A 64 -2.217 1.594 -1.260 1.00 0.00 H ATOM 1046 HE2 MET A 64 -1.909 0.888 0.345 1.00 0.00 H ATOM 1047 HE3 MET A 64 -2.927 2.341 0.192 1.00 0.00 H ATOM 1048 H MET A 64 1.991 -1.358 1.461 1.00 0.00 H ATOM 1049 N ASN A 65 0.742 1.144 3.146 1.00 0.34 N ATOM 1050 CA ASN A 65 0.192 1.904 4.269 1.00 0.36 C ATOM 1051 C ASN A 65 1.309 2.450 5.151 1.00 0.35 C ATOM 1052 O ASN A 65 1.248 3.584 5.623 1.00 0.41 O ATOM 1053 CB ASN A 65 -0.752 1.020 5.099 1.00 0.42 C ATOM 1054 CG ASN A 65 -1.002 1.560 6.500 1.00 1.06 C ATOM 1055 OD1 ASN A 65 -0.377 1.121 7.468 1.00 1.56 O ATOM 1056 ND2 ASN A 65 -1.921 2.509 6.619 1.00 1.69 N ATOM 1057 HA ASN A 65 -0.373 2.745 3.868 1.00 0.00 H ATOM 1058 HB2 ASN A 65 -1.707 0.949 4.579 1.00 0.00 H ATOM 1059 HB3 ASN A 65 -0.312 0.027 5.184 1.00 0.00 H ATOM 1060 HD22 ASN A 65 -2.426 2.852 5.777 1.00 0.00 H ATOM 1061 HD21 ASN A 65 -2.136 2.910 7.554 1.00 0.00 H ATOM 1062 H ASN A 65 0.481 0.143 3.037 1.00 0.00 H ATOM 1063 N HIS A 66 2.337 1.639 5.340 1.00 0.34 N ATOM 1064 CA HIS A 66 3.476 2.010 6.165 1.00 0.37 C ATOM 1065 C HIS A 66 4.228 3.210 5.590 1.00 0.36 C ATOM 1066 O HIS A 66 4.368 4.240 6.251 1.00 0.40 O ATOM 1067 CB HIS A 66 4.425 0.818 6.286 1.00 0.44 C ATOM 1068 CG HIS A 66 5.202 0.769 7.565 1.00 0.61 C ATOM 1069 ND1 HIS A 66 5.987 1.817 7.984 1.00 1.54 N ATOM 1070 CD2 HIS A 66 5.290 -0.234 8.465 1.00 1.09 C ATOM 1071 CE1 HIS A 66 6.529 1.426 9.123 1.00 1.46 C ATOM 1072 NE2 HIS A 66 6.136 0.190 9.454 1.00 1.04 N ATOM 1073 HA HIS A 66 3.101 2.294 7.148 1.00 0.00 H ATOM 1074 HB2 HIS A 66 3.835 -0.096 6.210 1.00 0.00 H ATOM 1075 HB3 HIS A 66 5.133 0.861 5.459 1.00 0.00 H ATOM 1076 HD2 HIS A 66 4.784 -1.198 8.414 1.00 0.00 H ATOM 1077 HE1 HIS A 66 7.211 2.033 9.719 1.00 0.00 H ATOM 1078 H HIS A 66 2.330 0.705 4.883 1.00 0.00 H ATOM 1079 N VAL A 67 4.680 3.086 4.345 1.00 0.35 N ATOM 1080 CA VAL A 67 5.462 4.142 3.704 1.00 0.39 C ATOM 1081 C VAL A 67 4.689 5.452 3.540 1.00 0.39 C ATOM 1082 O VAL A 67 5.255 6.524 3.738 1.00 0.48 O ATOM 1083 CB VAL A 67 6.028 3.701 2.329 1.00 0.42 C ATOM 1084 CG1 VAL A 67 7.022 2.564 2.498 1.00 1.16 C ATOM 1085 CG2 VAL A 67 4.918 3.295 1.374 1.00 1.40 C ATOM 1086 HA VAL A 67 6.292 4.327 4.386 1.00 0.00 H ATOM 1087 HB VAL A 67 6.545 4.557 1.896 1.00 0.00 H ATOM 1088 HG11 VAL A 67 7.846 2.895 3.130 1.00 0.00 H ATOM 1089 HG12 VAL A 67 6.524 1.714 2.964 1.00 0.00 H ATOM 1090 HG13 VAL A 67 7.406 2.271 1.521 1.00 0.00 H ATOM 1091 HG21 VAL A 67 4.360 2.462 1.801 1.00 0.00 H ATOM 1092 HG22 VAL A 67 4.248 4.141 1.217 1.00 0.00 H ATOM 1093 HG23 VAL A 67 5.353 2.992 0.421 1.00 0.00 H ATOM 1094 H VAL A 67 4.472 2.216 3.814 1.00 0.00 H ATOM 1095 N VAL A 68 3.404 5.384 3.205 1.00 0.34 N ATOM 1096 CA VAL A 68 2.622 6.606 3.013 1.00 0.37 C ATOM 1097 C VAL A 68 2.294 7.282 4.343 1.00 0.39 C ATOM 1098 O VAL A 68 2.143 8.505 4.407 1.00 0.43 O ATOM 1099 CB VAL A 68 1.318 6.357 2.222 1.00 0.38 C ATOM 1100 CG1 VAL A 68 1.630 5.786 0.846 1.00 0.41 C ATOM 1101 CG2 VAL A 68 0.372 5.443 2.987 1.00 0.37 C ATOM 1102 HA VAL A 68 3.252 7.272 2.424 1.00 0.00 H ATOM 1103 HB VAL A 68 0.815 7.315 2.092 1.00 0.00 H ATOM 1104 HG11 VAL A 68 2.251 6.491 0.294 1.00 0.00 H ATOM 1105 HG12 VAL A 68 2.163 4.842 0.958 1.00 0.00 H ATOM 1106 HG13 VAL A 68 0.699 5.618 0.304 1.00 0.00 H ATOM 1107 HG21 VAL A 68 0.859 4.484 3.164 1.00 0.00 H ATOM 1108 HG22 VAL A 68 0.116 5.904 3.941 1.00 0.00 H ATOM 1109 HG23 VAL A 68 -0.535 5.289 2.402 1.00 0.00 H ATOM 1110 H VAL A 68 2.952 4.456 3.079 1.00 0.00 H ATOM 1111 N GLN A 69 2.200 6.492 5.403 1.00 0.39 N ATOM 1112 CA GLN A 69 1.895 7.024 6.722 1.00 0.45 C ATOM 1113 C GLN A 69 3.139 7.652 7.345 1.00 0.45 C ATOM 1114 O GLN A 69 3.088 8.765 7.868 1.00 0.50 O ATOM 1115 CB GLN A 69 1.341 5.919 7.621 1.00 0.52 C ATOM 1116 CG GLN A 69 0.999 6.379 9.027 1.00 0.82 C ATOM 1117 CD GLN A 69 -0.018 5.477 9.701 1.00 1.26 C ATOM 1118 OE1 GLN A 69 -1.222 5.726 9.639 1.00 1.83 O ATOM 1119 NE2 GLN A 69 0.458 4.423 10.346 1.00 2.02 N ATOM 1120 HA GLN A 69 1.136 7.800 6.619 1.00 0.00 H ATOM 1121 HB2 GLN A 69 0.436 5.523 7.160 1.00 0.00 H ATOM 1122 HB3 GLN A 69 2.087 5.128 7.691 1.00 0.00 H ATOM 1123 HG2 GLN A 69 1.911 6.386 9.624 1.00 0.00 H ATOM 1124 HG3 GLN A 69 0.592 7.389 8.976 1.00 0.00 H ATOM 1125 HE22 GLN A 69 1.483 4.250 10.374 1.00 0.00 H ATOM 1126 HE21 GLN A 69 -0.193 3.769 10.825 1.00 0.00 H ATOM 1127 H GLN A 69 2.348 5.469 5.289 1.00 0.00 H ATOM 1128 N GLN A 70 4.263 6.948 7.254 1.00 0.44 N ATOM 1129 CA GLN A 70 5.521 7.434 7.812 1.00 0.49 C ATOM 1130 C GLN A 70 6.069 8.599 6.987 1.00 0.46 C ATOM 1131 O GLN A 70 6.909 9.369 7.460 1.00 0.49 O ATOM 1132 CB GLN A 70 6.544 6.296 7.871 1.00 0.58 C ATOM 1133 CG GLN A 70 6.122 5.144 8.774 1.00 0.78 C ATOM 1134 CD GLN A 70 6.338 5.437 10.245 1.00 1.39 C ATOM 1135 OE1 GLN A 70 7.380 5.107 10.811 1.00 2.10 O ATOM 1136 NE2 GLN A 70 5.354 6.061 10.875 1.00 2.02 N ATOM 1137 HA GLN A 70 5.333 7.794 8.824 1.00 0.00 H ATOM 1138 HB2 GLN A 70 6.688 5.909 6.862 1.00 0.00 H ATOM 1139 HB3 GLN A 70 7.487 6.698 8.242 1.00 0.00 H ATOM 1140 HG2 GLN A 70 5.063 4.944 8.611 1.00 0.00 H ATOM 1141 HG3 GLN A 70 6.703 4.261 8.506 1.00 0.00 H ATOM 1142 HE22 GLN A 70 4.490 6.322 10.359 1.00 0.00 H ATOM 1143 HE21 GLN A 70 5.446 6.290 11.885 1.00 0.00 H ATOM 1144 H GLN A 70 4.245 6.026 6.772 1.00 0.00 H ATOM 1145 N ALA A 71 5.572 8.735 5.759 1.00 0.46 N ATOM 1146 CA ALA A 71 6.000 9.806 4.864 1.00 0.47 C ATOM 1147 C ALA A 71 5.635 11.174 5.431 1.00 0.46 C ATOM 1148 O ALA A 71 6.253 12.180 5.087 1.00 0.48 O ATOM 1149 CB ALA A 71 5.388 9.627 3.482 1.00 0.51 C ATOM 1150 HA ALA A 71 7.085 9.753 4.775 1.00 0.00 H ATOM 1151 HB1 ALA A 71 5.706 8.671 3.066 1.00 0.00 H ATOM 1152 HB2 ALA A 71 4.301 9.646 3.562 1.00 0.00 H ATOM 1153 HB3 ALA A 71 5.720 10.436 2.831 1.00 0.00 H ATOM 1154 H ALA A 71 4.857 8.057 5.427 1.00 0.00 H ATOM 1155 N LYS A 72 4.636 11.200 6.311 1.00 0.49 N ATOM 1156 CA LYS A 72 4.195 12.442 6.938 1.00 0.55 C ATOM 1157 C LYS A 72 5.312 13.040 7.788 1.00 0.54 C ATOM 1158 O LYS A 72 5.480 14.255 7.842 1.00 0.59 O ATOM 1159 CB LYS A 72 2.955 12.197 7.805 1.00 0.66 C ATOM 1160 CG LYS A 72 1.663 12.072 7.012 1.00 0.84 C ATOM 1161 CD LYS A 72 1.181 13.426 6.515 1.00 1.07 C ATOM 1162 CE LYS A 72 -0.141 13.306 5.776 1.00 1.60 C ATOM 1163 NZ LYS A 72 -0.643 14.625 5.315 1.00 2.09 N ATOM 1164 HA LYS A 72 3.938 13.147 6.148 1.00 0.00 H ATOM 1165 HB2 LYS A 72 3.105 11.274 8.365 1.00 0.00 H ATOM 1166 HB3 LYS A 72 2.852 13.030 8.500 1.00 0.00 H ATOM 1167 HG2 LYS A 72 1.835 11.420 6.155 1.00 0.00 H ATOM 1168 HG3 LYS A 72 0.896 11.635 7.651 1.00 0.00 H ATOM 1169 HD2 LYS A 72 1.052 14.092 7.368 1.00 0.00 H ATOM 1170 HD3 LYS A 72 1.928 13.843 5.840 1.00 0.00 H ATOM 1171 HE2 LYS A 72 -0.879 12.862 6.444 1.00 0.00 H ATOM 1172 HE3 LYS A 72 -0.003 12.660 4.909 1.00 0.00 H ATOM 1173 HZ1 LYS A 72 -0.785 15.247 6.136 1.00 0.00 H ATOM 1174 HZ2 LYS A 72 0.052 15.053 4.671 1.00 0.00 H ATOM 1175 HZ3 LYS A 72 -1.546 14.496 4.816 1.00 0.00 H ATOM 1176 H LYS A 72 4.157 10.311 6.558 1.00 0.00 H ATOM 1177 N GLY A 73 6.082 12.175 8.439 1.00 0.54 N ATOM 1178 CA GLY A 73 7.174 12.637 9.274 1.00 0.59 C ATOM 1179 C GLY A 73 8.401 12.986 8.457 1.00 0.56 C ATOM 1180 O GLY A 73 9.191 13.850 8.838 1.00 0.66 O ATOM 1181 HA3 GLY A 73 7.434 11.850 9.982 1.00 0.00 H ATOM 1182 HA2 GLY A 73 6.850 13.523 9.820 1.00 0.00 H ATOM 1183 H GLY A 73 5.900 11.155 8.349 1.00 0.00 H ATOM 1184 N GLN A 74 8.550 12.317 7.323 1.00 0.52 N ATOM 1185 CA GLN A 74 9.680 12.548 6.432 1.00 0.55 C ATOM 1186 C GLN A 74 9.438 13.791 5.583 1.00 0.51 C ATOM 1187 O GLN A 74 10.379 14.400 5.075 1.00 0.56 O ATOM 1188 CB GLN A 74 9.893 11.329 5.531 1.00 0.62 C ATOM 1189 CG GLN A 74 10.229 10.060 6.296 1.00 0.80 C ATOM 1190 CD GLN A 74 11.722 9.817 6.403 1.00 0.94 C ATOM 1191 OE1 GLN A 74 12.525 10.747 6.346 1.00 1.62 O ATOM 1192 NE2 GLN A 74 12.104 8.561 6.562 1.00 1.42 N ATOM 1193 HA GLN A 74 10.575 12.705 7.034 1.00 0.00 H ATOM 1194 HB2 GLN A 74 8.980 11.157 4.961 1.00 0.00 H ATOM 1195 HB3 GLN A 74 10.712 11.546 4.845 1.00 0.00 H ATOM 1196 HG2 GLN A 74 9.816 10.139 7.301 1.00 0.00 H ATOM 1197 HG3 GLN A 74 9.774 9.213 5.783 1.00 0.00 H ATOM 1198 HE22 GLN A 74 11.393 7.803 6.605 1.00 0.00 H ATOM 1199 HE21 GLN A 74 13.115 8.331 6.644 1.00 0.00 H ATOM 1200 H GLN A 74 7.839 11.605 7.061 1.00 0.00 H ATOM 1201 N LYS A 75 8.159 14.149 5.441 1.00 0.47 N ATOM 1202 CA LYS A 75 7.733 15.311 4.658 1.00 0.50 C ATOM 1203 C LYS A 75 8.039 15.118 3.180 1.00 0.47 C ATOM 1204 O LYS A 75 8.252 16.081 2.438 1.00 0.54 O ATOM 1205 CB LYS A 75 8.371 16.603 5.180 1.00 0.62 C ATOM 1206 CG LYS A 75 7.848 17.043 6.543 1.00 0.77 C ATOM 1207 CD LYS A 75 6.336 17.253 6.542 1.00 1.33 C ATOM 1208 CE LYS A 75 5.926 18.446 5.693 1.00 1.99 C ATOM 1209 NZ LYS A 75 6.211 19.738 6.369 1.00 2.70 N ATOM 1210 HA LYS A 75 6.653 15.403 4.772 1.00 0.00 H ATOM 1211 HB2 LYS A 75 9.447 16.447 5.259 1.00 0.00 H ATOM 1212 HB3 LYS A 75 8.172 17.399 4.462 1.00 0.00 H ATOM 1213 HG2 LYS A 75 8.096 16.277 7.278 1.00 0.00 H ATOM 1214 HG3 LYS A 75 8.332 17.980 6.819 1.00 0.00 H ATOM 1215 HD2 LYS A 75 5.857 16.358 6.146 1.00 0.00 H ATOM 1216 HD3 LYS A 75 6.003 17.419 7.567 1.00 0.00 H ATOM 1217 HE2 LYS A 75 4.857 18.383 5.491 1.00 0.00 H ATOM 1218 HE3 LYS A 75 6.475 18.413 4.752 1.00 0.00 H ATOM 1219 HZ1 LYS A 75 5.686 19.782 7.265 1.00 0.00 H ATOM 1220 HZ2 LYS A 75 7.231 19.811 6.559 1.00 0.00 H ATOM 1221 HZ3 LYS A 75 5.915 20.522 5.754 1.00 0.00 H ATOM 1222 H LYS A 75 7.430 13.574 5.910 1.00 0.00 H ATOM 1223 N ILE A 76 8.034 13.865 2.756 1.00 0.42 N ATOM 1224 CA ILE A 76 8.293 13.525 1.368 1.00 0.42 C ATOM 1225 C ILE A 76 6.982 13.165 0.679 1.00 0.38 C ATOM 1226 O ILE A 76 6.539 12.014 0.715 1.00 0.40 O ATOM 1227 CB ILE A 76 9.288 12.346 1.240 1.00 0.46 C ATOM 1228 CG1 ILE A 76 10.591 12.643 1.995 1.00 0.55 C ATOM 1229 CG2 ILE A 76 9.580 12.049 -0.224 1.00 0.49 C ATOM 1230 CD1 ILE A 76 11.396 13.781 1.410 1.00 0.63 C ATOM 1231 HA ILE A 76 8.743 14.394 0.889 1.00 0.00 H ATOM 1232 HB ILE A 76 8.827 11.466 1.688 1.00 0.00 H ATOM 1233 HG12 ILE A 76 10.340 12.895 3.026 1.00 0.00 H ATOM 1234 HG13 ILE A 76 11.208 11.744 1.981 1.00 0.00 H ATOM 1235 HD11 ILE A 76 11.667 13.542 0.382 1.00 0.00 H ATOM 1236 HD12 ILE A 76 10.799 14.693 1.427 1.00 0.00 H ATOM 1237 HD13 ILE A 76 12.300 13.926 2.001 1.00 0.00 H ATOM 1238 HG21 ILE A 76 8.652 11.786 -0.732 1.00 0.00 H ATOM 1239 HG22 ILE A 76 10.015 12.932 -0.693 1.00 0.00 H ATOM 1240 HG23 ILE A 76 10.281 11.217 -0.292 1.00 0.00 H ATOM 1241 H ILE A 76 7.839 13.102 3.435 1.00 0.00 H ATOM 1242 N ILE A 77 6.361 14.159 0.058 1.00 0.40 N ATOM 1243 CA ILE A 77 5.089 13.957 -0.625 1.00 0.42 C ATOM 1244 C ILE A 77 5.265 13.121 -1.888 1.00 0.39 C ATOM 1245 O ILE A 77 4.293 12.620 -2.443 1.00 0.40 O ATOM 1246 CB ILE A 77 4.408 15.294 -0.991 1.00 0.52 C ATOM 1247 CG1 ILE A 77 5.222 16.046 -2.044 1.00 0.59 C ATOM 1248 CG2 ILE A 77 4.223 16.153 0.251 1.00 0.57 C ATOM 1249 CD1 ILE A 77 4.419 17.077 -2.802 1.00 0.86 C ATOM 1250 HA ILE A 77 4.447 13.422 0.075 1.00 0.00 H ATOM 1251 HB ILE A 77 3.426 15.074 -1.411 1.00 0.00 H ATOM 1252 HG12 ILE A 77 6.049 16.551 -1.545 1.00 0.00 H ATOM 1253 HG13 ILE A 77 5.616 15.322 -2.757 1.00 0.00 H ATOM 1254 HD11 ILE A 77 3.593 16.586 -3.316 1.00 0.00 H ATOM 1255 HD12 ILE A 77 4.026 17.815 -2.103 1.00 0.00 H ATOM 1256 HD13 ILE A 77 5.061 17.571 -3.532 1.00 0.00 H ATOM 1257 HG21 ILE A 77 3.599 15.621 0.969 1.00 0.00 H ATOM 1258 HG22 ILE A 77 5.196 16.360 0.696 1.00 0.00 H ATOM 1259 HG23 ILE A 77 3.742 17.091 -0.026 1.00 0.00 H ATOM 1260 H ILE A 77 6.792 15.105 0.058 1.00 0.00 H ATOM 1261 N GLN A 78 6.511 12.972 -2.329 1.00 0.41 N ATOM 1262 CA GLN A 78 6.826 12.191 -3.521 1.00 0.43 C ATOM 1263 C GLN A 78 6.282 10.771 -3.398 1.00 0.36 C ATOM 1264 O GLN A 78 5.773 10.205 -4.366 1.00 0.36 O ATOM 1265 CB GLN A 78 8.341 12.147 -3.750 1.00 0.52 C ATOM 1266 CG GLN A 78 8.893 13.361 -4.484 1.00 0.81 C ATOM 1267 CD GLN A 78 8.768 14.648 -3.689 1.00 1.36 C ATOM 1268 OE1 GLN A 78 8.807 14.644 -2.457 1.00 2.22 O ATOM 1269 NE2 GLN A 78 8.609 15.758 -4.391 1.00 1.73 N ATOM 1270 HA GLN A 78 6.351 12.675 -4.374 1.00 0.00 H ATOM 1271 HB2 GLN A 78 8.833 12.080 -2.779 1.00 0.00 H ATOM 1272 HB3 GLN A 78 8.574 11.257 -4.335 1.00 0.00 H ATOM 1273 HG2 GLN A 78 9.947 13.187 -4.698 1.00 0.00 H ATOM 1274 HG3 GLN A 78 8.348 13.478 -5.421 1.00 0.00 H ATOM 1275 HE22 GLN A 78 8.582 15.717 -5.430 1.00 0.00 H ATOM 1276 HE21 GLN A 78 8.511 16.672 -3.904 1.00 0.00 H ATOM 1277 H GLN A 78 7.287 13.427 -1.807 1.00 0.00 H ATOM 1278 N PHE A 79 6.380 10.209 -2.198 1.00 0.36 N ATOM 1279 CA PHE A 79 5.897 8.861 -1.943 1.00 0.36 C ATOM 1280 C PHE A 79 4.375 8.812 -2.003 1.00 0.33 C ATOM 1281 O PHE A 79 3.796 7.989 -2.711 1.00 0.36 O ATOM 1282 CB PHE A 79 6.374 8.374 -0.573 1.00 0.42 C ATOM 1283 CG PHE A 79 7.659 7.603 -0.622 1.00 0.40 C ATOM 1284 CD1 PHE A 79 7.785 6.497 -1.446 1.00 1.24 C ATOM 1285 CD2 PHE A 79 8.737 7.974 0.166 1.00 1.29 C ATOM 1286 CE1 PHE A 79 8.965 5.782 -1.492 1.00 1.30 C ATOM 1287 CE2 PHE A 79 9.918 7.263 0.124 1.00 1.34 C ATOM 1288 CZ PHE A 79 10.030 6.163 -0.704 1.00 0.64 C ATOM 1289 HA PHE A 79 6.300 8.206 -2.716 1.00 0.00 H ATOM 1290 HB2 PHE A 79 6.517 9.242 0.070 1.00 0.00 H ATOM 1291 HB3 PHE A 79 5.603 7.732 -0.148 1.00 0.00 H ATOM 1292 HD2 PHE A 79 8.651 8.837 0.826 1.00 0.00 H ATOM 1293 HE2 PHE A 79 10.762 7.569 0.743 1.00 0.00 H ATOM 1294 HZ PHE A 79 10.961 5.596 -0.734 1.00 0.00 H ATOM 1295 HE1 PHE A 79 9.054 4.918 -2.150 1.00 0.00 H ATOM 1296 HD1 PHE A 79 6.943 6.188 -2.065 1.00 0.00 H ATOM 1297 H PHE A 79 6.813 10.747 -1.421 1.00 0.00 H ATOM 1298 N GLN A 80 3.741 9.720 -1.275 1.00 0.33 N ATOM 1299 CA GLN A 80 2.288 9.788 -1.215 1.00 0.38 C ATOM 1300 C GLN A 80 1.688 10.123 -2.579 1.00 0.33 C ATOM 1301 O GLN A 80 0.616 9.639 -2.930 1.00 0.39 O ATOM 1302 CB GLN A 80 1.869 10.820 -0.168 1.00 0.48 C ATOM 1303 CG GLN A 80 2.330 10.456 1.234 1.00 0.60 C ATOM 1304 CD GLN A 80 2.255 11.613 2.210 1.00 0.75 C ATOM 1305 OE1 GLN A 80 2.383 12.774 1.829 1.00 1.30 O ATOM 1306 NE2 GLN A 80 2.063 11.297 3.482 1.00 1.11 N ATOM 1307 HA GLN A 80 1.906 8.809 -0.927 1.00 0.00 H ATOM 1308 HB2 GLN A 80 2.300 11.785 -0.437 1.00 0.00 H ATOM 1309 HB3 GLN A 80 0.782 10.896 -0.169 1.00 0.00 H ATOM 1310 HG2 GLN A 80 1.701 9.648 1.606 1.00 0.00 H ATOM 1311 HG3 GLN A 80 3.364 10.115 1.181 1.00 0.00 H ATOM 1312 HE22 GLN A 80 1.960 10.300 3.760 1.00 0.00 H ATOM 1313 HE21 GLN A 80 2.016 12.046 4.202 1.00 0.00 H ATOM 1314 H GLN A 80 4.300 10.406 -0.729 1.00 0.00 H ATOM 1315 N ASP A 81 2.388 10.945 -3.349 1.00 0.33 N ATOM 1316 CA ASP A 81 1.926 11.327 -4.679 1.00 0.35 C ATOM 1317 C ASP A 81 1.953 10.127 -5.617 1.00 0.32 C ATOM 1318 O ASP A 81 0.960 9.817 -6.280 1.00 0.37 O ATOM 1319 CB ASP A 81 2.804 12.448 -5.250 1.00 0.41 C ATOM 1320 CG ASP A 81 2.441 12.808 -6.679 1.00 0.52 C ATOM 1321 OD1 ASP A 81 2.843 12.076 -7.608 1.00 1.16 O ATOM 1322 OD2 ASP A 81 1.748 13.825 -6.885 1.00 1.32 O ATOM 1323 HA ASP A 81 0.901 11.687 -4.593 1.00 0.00 H ATOM 1324 HB2 ASP A 81 2.687 13.334 -4.627 1.00 0.00 H ATOM 1325 HB3 ASP A 81 3.844 12.123 -5.226 1.00 0.00 H ATOM 1326 H ASP A 81 3.289 11.327 -2.996 1.00 0.00 H ATOM 1327 N SER A 82 3.092 9.448 -5.653 1.00 0.31 N ATOM 1328 CA SER A 82 3.273 8.289 -6.517 1.00 0.32 C ATOM 1329 C SER A 82 2.376 7.123 -6.105 1.00 0.29 C ATOM 1330 O SER A 82 1.745 6.488 -6.950 1.00 0.30 O ATOM 1331 CB SER A 82 4.736 7.852 -6.497 1.00 0.36 C ATOM 1332 OG SER A 82 5.596 8.939 -6.799 1.00 0.94 O ATOM 1333 HA SER A 82 2.988 8.582 -7.528 1.00 0.00 H ATOM 1334 HB2 SER A 82 4.883 7.065 -7.236 1.00 0.00 H ATOM 1335 HB3 SER A 82 4.980 7.469 -5.506 1.00 0.00 H ATOM 1336 HG SER A 82 5.469 9.655 -6.127 1.00 0.00 H ATOM 1337 H SER A 82 3.880 9.752 -5.046 1.00 0.00 H ATOM 1338 N PHE A 83 2.310 6.847 -4.813 1.00 0.27 N ATOM 1339 CA PHE A 83 1.494 5.745 -4.321 1.00 0.26 C ATOM 1340 C PHE A 83 0.011 6.096 -4.338 1.00 0.26 C ATOM 1341 O PHE A 83 -0.834 5.218 -4.466 1.00 0.30 O ATOM 1342 CB PHE A 83 1.926 5.342 -2.911 1.00 0.27 C ATOM 1343 CG PHE A 83 3.067 4.361 -2.894 1.00 0.28 C ATOM 1344 CD1 PHE A 83 2.888 3.063 -3.349 1.00 1.21 C ATOM 1345 CD2 PHE A 83 4.316 4.733 -2.422 1.00 1.21 C ATOM 1346 CE1 PHE A 83 3.933 2.157 -3.334 1.00 1.23 C ATOM 1347 CE2 PHE A 83 5.363 3.831 -2.405 1.00 1.22 C ATOM 1348 CZ PHE A 83 5.170 2.540 -2.861 1.00 0.37 C ATOM 1349 HA PHE A 83 1.646 4.899 -4.992 1.00 0.00 H ATOM 1350 HB2 PHE A 83 2.233 6.239 -2.374 1.00 0.00 H ATOM 1351 HB3 PHE A 83 1.074 4.890 -2.404 1.00 0.00 H ATOM 1352 HD2 PHE A 83 4.474 5.749 -2.060 1.00 0.00 H ATOM 1353 HE2 PHE A 83 6.340 4.137 -2.032 1.00 0.00 H ATOM 1354 HZ PHE A 83 5.994 1.827 -2.847 1.00 0.00 H ATOM 1355 HE1 PHE A 83 3.779 1.141 -3.696 1.00 0.00 H ATOM 1356 HD1 PHE A 83 1.912 2.753 -3.723 1.00 0.00 H ATOM 1357 H PHE A 83 2.849 7.426 -4.138 1.00 0.00 H ATOM 1358 N GLY A 84 -0.303 7.378 -4.229 1.00 0.27 N ATOM 1359 CA GLY A 84 -1.690 7.806 -4.226 1.00 0.30 C ATOM 1360 C GLY A 84 -2.391 7.575 -5.551 1.00 0.30 C ATOM 1361 O GLY A 84 -3.514 7.073 -5.585 1.00 0.34 O ATOM 1362 HA3 GLY A 84 -1.723 8.871 -3.998 1.00 0.00 H ATOM 1363 HA2 GLY A 84 -2.222 7.253 -3.452 1.00 0.00 H ATOM 1364 H GLY A 84 0.453 8.087 -4.145 1.00 0.00 H ATOM 1365 N LYS A 85 -1.719 7.915 -6.646 1.00 0.31 N ATOM 1366 CA LYS A 85 -2.299 7.758 -7.980 1.00 0.36 C ATOM 1367 C LYS A 85 -2.521 6.289 -8.340 1.00 0.34 C ATOM 1368 O LYS A 85 -3.403 5.965 -9.133 1.00 0.43 O ATOM 1369 CB LYS A 85 -1.423 8.439 -9.042 1.00 0.42 C ATOM 1370 CG LYS A 85 0.074 8.230 -8.847 1.00 0.48 C ATOM 1371 CD LYS A 85 0.900 8.924 -9.924 1.00 0.62 C ATOM 1372 CE LYS A 85 0.546 10.400 -10.057 1.00 0.96 C ATOM 1373 NZ LYS A 85 0.655 11.137 -8.767 1.00 1.31 N ATOM 1374 HA LYS A 85 -3.274 8.245 -7.962 1.00 0.00 H ATOM 1375 HB2 LYS A 85 -1.699 8.042 -10.019 1.00 0.00 H ATOM 1376 HB3 LYS A 85 -1.625 9.510 -9.016 1.00 0.00 H ATOM 1377 HG2 LYS A 85 0.360 8.629 -7.874 1.00 0.00 H ATOM 1378 HG3 LYS A 85 0.286 7.161 -8.877 1.00 0.00 H ATOM 1379 HD2 LYS A 85 1.956 8.837 -9.668 1.00 0.00 H ATOM 1380 HD3 LYS A 85 0.718 8.431 -10.879 1.00 0.00 H ATOM 1381 HE2 LYS A 85 -0.479 10.482 -10.420 1.00 0.00 H ATOM 1382 HE3 LYS A 85 1.223 10.857 -10.778 1.00 0.00 H ATOM 1383 HZ1 LYS A 85 0.006 10.715 -8.072 1.00 0.00 H ATOM 1384 HZ2 LYS A 85 1.631 11.074 -8.415 1.00 0.00 H ATOM 1385 HZ3 LYS A 85 0.403 12.135 -8.917 1.00 0.00 H ATOM 1386 H LYS A 85 -0.758 8.302 -6.552 1.00 0.00 H ATOM 1387 N VAL A 86 -1.723 5.399 -7.765 1.00 0.28 N ATOM 1388 CA VAL A 86 -1.867 3.977 -8.048 1.00 0.29 C ATOM 1389 C VAL A 86 -2.766 3.299 -7.014 1.00 0.27 C ATOM 1390 O VAL A 86 -3.348 2.245 -7.279 1.00 0.28 O ATOM 1391 CB VAL A 86 -0.504 3.249 -8.112 1.00 0.31 C ATOM 1392 CG1 VAL A 86 0.353 3.812 -9.236 1.00 0.38 C ATOM 1393 CG2 VAL A 86 0.235 3.338 -6.787 1.00 0.31 C ATOM 1394 HA VAL A 86 -2.332 3.904 -9.031 1.00 0.00 H ATOM 1395 HB VAL A 86 -0.701 2.197 -8.316 1.00 0.00 H ATOM 1396 HG11 VAL A 86 -0.164 3.679 -10.187 1.00 0.00 H ATOM 1397 HG12 VAL A 86 0.527 4.874 -9.061 1.00 0.00 H ATOM 1398 HG13 VAL A 86 1.307 3.285 -9.263 1.00 0.00 H ATOM 1399 HG21 VAL A 86 0.413 4.385 -6.541 1.00 0.00 H ATOM 1400 HG22 VAL A 86 -0.368 2.877 -6.005 1.00 0.00 H ATOM 1401 HG23 VAL A 86 1.188 2.816 -6.868 1.00 0.00 H ATOM 1402 H VAL A 86 -0.986 5.720 -7.105 1.00 0.00 H ATOM 1403 N ALA A 87 -2.892 3.922 -5.843 1.00 0.29 N ATOM 1404 CA ALA A 87 -3.716 3.385 -4.767 1.00 0.30 C ATOM 1405 C ALA A 87 -5.175 3.314 -5.183 1.00 0.28 C ATOM 1406 O ALA A 87 -5.846 2.321 -4.922 1.00 0.28 O ATOM 1407 CB ALA A 87 -3.569 4.225 -3.507 1.00 0.38 C ATOM 1408 HA ALA A 87 -3.370 2.373 -4.554 1.00 0.00 H ATOM 1409 HB1 ALA A 87 -2.526 4.221 -3.189 1.00 0.00 H ATOM 1410 HB2 ALA A 87 -3.883 5.248 -3.715 1.00 0.00 H ATOM 1411 HB3 ALA A 87 -4.193 3.806 -2.718 1.00 0.00 H ATOM 1412 H ALA A 87 -2.387 4.819 -5.692 1.00 0.00 H ATOM 1413 N ALA A 88 -5.656 4.368 -5.840 1.00 0.32 N ATOM 1414 CA ALA A 88 -7.043 4.425 -6.296 1.00 0.36 C ATOM 1415 C ALA A 88 -7.365 3.251 -7.214 1.00 0.34 C ATOM 1416 O ALA A 88 -8.473 2.710 -7.192 1.00 0.44 O ATOM 1417 CB ALA A 88 -7.314 5.747 -7.003 1.00 0.45 C ATOM 1418 HA ALA A 88 -7.692 4.357 -5.423 1.00 0.00 H ATOM 1419 HB1 ALA A 88 -7.132 6.571 -6.313 1.00 0.00 H ATOM 1420 HB2 ALA A 88 -6.652 5.840 -7.864 1.00 0.00 H ATOM 1421 HB3 ALA A 88 -8.351 5.773 -7.336 1.00 0.00 H ATOM 1422 H ALA A 88 -5.027 5.173 -6.034 1.00 0.00 H ATOM 1423 N GLU A 89 -6.385 2.851 -8.009 1.00 0.30 N ATOM 1424 CA GLU A 89 -6.557 1.739 -8.926 1.00 0.32 C ATOM 1425 C GLU A 89 -6.500 0.414 -8.168 1.00 0.29 C ATOM 1426 O GLU A 89 -7.447 -0.369 -8.204 1.00 0.32 O ATOM 1427 CB GLU A 89 -5.484 1.780 -10.020 1.00 0.39 C ATOM 1428 CG GLU A 89 -5.597 0.654 -11.039 1.00 0.55 C ATOM 1429 CD GLU A 89 -6.869 0.722 -11.866 1.00 0.88 C ATOM 1430 OE1 GLU A 89 -7.968 0.543 -11.300 1.00 1.56 O ATOM 1431 OE2 GLU A 89 -6.776 0.926 -13.094 1.00 1.56 O ATOM 1432 HA GLU A 89 -7.535 1.824 -9.399 1.00 0.00 H ATOM 1433 HB2 GLU A 89 -5.568 2.730 -10.548 1.00 0.00 H ATOM 1434 HB3 GLU A 89 -4.506 1.715 -9.544 1.00 0.00 H ATOM 1435 HG2 GLU A 89 -4.742 0.709 -11.713 1.00 0.00 H ATOM 1436 HG3 GLU A 89 -5.579 -0.298 -10.508 1.00 0.00 H ATOM 1437 H GLU A 89 -5.470 3.345 -7.976 1.00 0.00 H ATOM 1438 N VAL A 90 -5.402 0.195 -7.447 1.00 0.27 N ATOM 1439 CA VAL A 90 -5.200 -1.038 -6.686 1.00 0.28 C ATOM 1440 C VAL A 90 -6.329 -1.286 -5.684 1.00 0.27 C ATOM 1441 O VAL A 90 -6.871 -2.390 -5.616 1.00 0.30 O ATOM 1442 CB VAL A 90 -3.845 -1.022 -5.946 1.00 0.29 C ATOM 1443 CG1 VAL A 90 -3.709 -2.229 -5.028 1.00 0.34 C ATOM 1444 CG2 VAL A 90 -2.697 -0.985 -6.943 1.00 0.32 C ATOM 1445 HA VAL A 90 -5.202 -1.853 -7.410 1.00 0.00 H ATOM 1446 HB VAL A 90 -3.806 -0.122 -5.332 1.00 0.00 H ATOM 1447 HG11 VAL A 90 -4.511 -2.215 -4.290 1.00 0.00 H ATOM 1448 HG12 VAL A 90 -3.774 -3.143 -5.619 1.00 0.00 H ATOM 1449 HG13 VAL A 90 -2.745 -2.191 -4.520 1.00 0.00 H ATOM 1450 HG21 VAL A 90 -2.743 -1.867 -7.581 1.00 0.00 H ATOM 1451 HG22 VAL A 90 -2.778 -0.087 -7.556 1.00 0.00 H ATOM 1452 HG23 VAL A 90 -1.750 -0.974 -6.404 1.00 0.00 H ATOM 1453 H VAL A 90 -4.662 0.926 -7.424 1.00 0.00 H ATOM 1454 N LEU A 91 -6.699 -0.254 -4.931 1.00 0.26 N ATOM 1455 CA LEU A 91 -7.761 -0.374 -3.936 1.00 0.28 C ATOM 1456 C LEU A 91 -9.072 -0.776 -4.598 1.00 0.27 C ATOM 1457 O LEU A 91 -9.818 -1.596 -4.066 1.00 0.30 O ATOM 1458 CB LEU A 91 -7.943 0.940 -3.169 1.00 0.31 C ATOM 1459 CG LEU A 91 -7.311 0.983 -1.772 1.00 0.53 C ATOM 1460 CD1 LEU A 91 -8.042 0.044 -0.824 1.00 1.45 C ATOM 1461 CD2 LEU A 91 -5.828 0.637 -1.832 1.00 0.89 C ATOM 1462 HA LEU A 91 -7.471 -1.151 -3.228 1.00 0.00 H ATOM 1463 HB2 LEU A 91 -7.500 1.740 -3.763 1.00 0.00 H ATOM 1464 HB3 LEU A 91 -9.012 1.120 -3.060 1.00 0.00 H ATOM 1465 HG LEU A 91 -7.405 2.000 -1.391 1.00 0.00 H ATOM 1466 HD21 LEU A 91 -5.707 -0.366 -2.240 1.00 0.00 H ATOM 1467 HD22 LEU A 91 -5.314 1.355 -2.471 1.00 0.00 H ATOM 1468 HD23 LEU A 91 -5.406 0.675 -0.828 1.00 0.00 H ATOM 1469 HD11 LEU A 91 -9.087 0.346 -0.749 1.00 0.00 H ATOM 1470 HD12 LEU A 91 -7.984 -0.975 -1.207 1.00 0.00 H ATOM 1471 HD13 LEU A 91 -7.577 0.090 0.161 1.00 0.00 H ATOM 1472 H LEU A 91 -6.220 0.661 -5.054 1.00 0.00 H ATOM 1473 N GLY A 92 -9.339 -0.208 -5.767 1.00 0.28 N ATOM 1474 CA GLY A 92 -10.555 -0.529 -6.483 1.00 0.31 C ATOM 1475 C GLY A 92 -10.561 -1.957 -6.993 1.00 0.33 C ATOM 1476 O GLY A 92 -11.620 -2.564 -7.147 1.00 0.41 O ATOM 1477 HA3 GLY A 92 -10.651 0.147 -7.332 1.00 0.00 H ATOM 1478 HA2 GLY A 92 -11.404 -0.392 -5.813 1.00 0.00 H ATOM 1479 H GLY A 92 -8.668 0.475 -6.173 1.00 0.00 H ATOM 1480 N ARG A 93 -9.375 -2.497 -7.249 1.00 0.31 N ATOM 1481 CA ARG A 93 -9.244 -3.861 -7.744 1.00 0.37 C ATOM 1482 C ARG A 93 -9.359 -4.869 -6.606 1.00 0.37 C ATOM 1483 O ARG A 93 -10.147 -5.810 -6.679 1.00 0.42 O ATOM 1484 CB ARG A 93 -7.903 -4.053 -8.457 1.00 0.43 C ATOM 1485 CG ARG A 93 -7.624 -3.039 -9.555 1.00 0.59 C ATOM 1486 CD ARG A 93 -8.767 -2.947 -10.555 1.00 0.95 C ATOM 1487 NE ARG A 93 -8.435 -2.070 -11.676 1.00 1.84 N ATOM 1488 CZ ARG A 93 -8.266 -2.486 -12.933 1.00 2.40 C ATOM 1489 NH1 ARG A 93 -8.400 -3.769 -13.239 1.00 2.41 N ATOM 1490 NH2 ARG A 93 -7.944 -1.615 -13.882 1.00 3.46 N ATOM 1491 HA ARG A 93 -10.055 -4.032 -8.452 1.00 0.00 H ATOM 1492 HB2 ARG A 93 -7.108 -3.979 -7.715 1.00 0.00 H ATOM 1493 HB3 ARG A 93 -7.892 -5.048 -8.901 1.00 0.00 H ATOM 1494 HG2 ARG A 93 -7.476 -2.060 -9.100 1.00 0.00 H ATOM 1495 HG3 ARG A 93 -6.717 -3.334 -10.084 1.00 0.00 H ATOM 1496 HD2 ARG A 93 -9.649 -2.555 -10.049 1.00 0.00 H ATOM 1497 HD3 ARG A 93 -8.983 -3.944 -10.938 1.00 0.00 H ATOM 1498 HE ARG A 93 -8.323 -1.055 -11.481 1.00 0.00 H ATOM 1499 HH12 ARG A 93 -8.267 -4.086 -14.220 1.00 0.00 H ATOM 1500 HH11 ARG A 93 -8.638 -4.458 -12.498 1.00 0.00 H ATOM 1501 HH22 ARG A 93 -7.812 -1.938 -14.862 1.00 0.00 H ATOM 1502 HH21 ARG A 93 -7.824 -0.609 -13.646 1.00 0.00 H ATOM 1503 H ARG A 93 -8.517 -1.931 -7.092 1.00 0.00 H ATOM 1504 N ILE A 94 -8.588 -4.664 -5.545 1.00 0.36 N ATOM 1505 CA ILE A 94 -8.605 -5.585 -4.413 1.00 0.40 C ATOM 1506 C ILE A 94 -9.961 -5.597 -3.712 1.00 0.39 C ATOM 1507 O ILE A 94 -10.393 -6.631 -3.208 1.00 0.43 O ATOM 1508 CB ILE A 94 -7.489 -5.281 -3.388 1.00 0.44 C ATOM 1509 CG1 ILE A 94 -7.605 -3.853 -2.852 1.00 0.40 C ATOM 1510 CG2 ILE A 94 -6.125 -5.505 -4.022 1.00 0.49 C ATOM 1511 CD1 ILE A 94 -6.619 -3.540 -1.745 1.00 0.50 C ATOM 1512 HA ILE A 94 -8.419 -6.574 -4.831 1.00 0.00 H ATOM 1513 HB ILE A 94 -7.603 -5.962 -2.545 1.00 0.00 H ATOM 1514 HG12 ILE A 94 -7.431 -3.160 -3.675 1.00 0.00 H ATOM 1515 HG13 ILE A 94 -8.614 -3.710 -2.466 1.00 0.00 H ATOM 1516 HD11 ILE A 94 -6.787 -4.218 -0.908 1.00 0.00 H ATOM 1517 HD12 ILE A 94 -5.603 -3.667 -2.119 1.00 0.00 H ATOM 1518 HD13 ILE A 94 -6.760 -2.511 -1.415 1.00 0.00 H ATOM 1519 HG21 ILE A 94 -6.042 -6.542 -4.346 1.00 0.00 H ATOM 1520 HG22 ILE A 94 -6.013 -4.845 -4.882 1.00 0.00 H ATOM 1521 HG23 ILE A 94 -5.346 -5.288 -3.291 1.00 0.00 H ATOM 1522 H ILE A 94 -7.962 -3.834 -5.520 1.00 0.00 H ATOM 1523 N ASN A 95 -10.648 -4.464 -3.713 1.00 0.36 N ATOM 1524 CA ASN A 95 -11.955 -4.365 -3.065 1.00 0.40 C ATOM 1525 C ASN A 95 -13.012 -5.181 -3.813 1.00 0.43 C ATOM 1526 O ASN A 95 -14.066 -5.500 -3.262 1.00 0.51 O ATOM 1527 CB ASN A 95 -12.392 -2.897 -2.963 1.00 0.43 C ATOM 1528 CG ASN A 95 -13.667 -2.705 -2.156 1.00 0.59 C ATOM 1529 OD1 ASN A 95 -13.655 -2.756 -0.924 1.00 1.00 O ATOM 1530 ND2 ASN A 95 -14.770 -2.454 -2.844 1.00 0.79 N ATOM 1531 HA ASN A 95 -11.861 -4.778 -2.061 1.00 0.00 H ATOM 1532 HB2 ASN A 95 -11.592 -2.330 -2.487 1.00 0.00 H ATOM 1533 HB3 ASN A 95 -12.558 -2.514 -3.970 1.00 0.00 H ATOM 1534 HD22 ASN A 95 -14.738 -2.419 -3.883 1.00 0.00 H ATOM 1535 HD21 ASN A 95 -15.668 -2.291 -2.345 1.00 0.00 H ATOM 1536 H ASN A 95 -10.249 -3.627 -4.185 1.00 0.00 H ATOM 1537 N GLN A 96 -12.732 -5.542 -5.062 1.00 0.42 N ATOM 1538 CA GLN A 96 -13.688 -6.314 -5.844 1.00 0.48 C ATOM 1539 C GLN A 96 -13.242 -7.768 -6.011 1.00 0.49 C ATOM 1540 O GLN A 96 -13.856 -8.525 -6.763 1.00 0.66 O ATOM 1541 CB GLN A 96 -13.943 -5.658 -7.208 1.00 0.59 C ATOM 1542 CG GLN A 96 -12.728 -5.596 -8.120 1.00 0.93 C ATOM 1543 CD GLN A 96 -13.016 -4.867 -9.419 1.00 0.85 C ATOM 1544 OE1 GLN A 96 -13.432 -5.474 -10.405 1.00 1.11 O ATOM 1545 NE2 GLN A 96 -12.800 -3.559 -9.432 1.00 1.14 N ATOM 1546 HA GLN A 96 -14.627 -6.323 -5.290 1.00 0.00 H ATOM 1547 HB2 GLN A 96 -14.722 -6.225 -7.718 1.00 0.00 H ATOM 1548 HB3 GLN A 96 -14.291 -4.639 -7.036 1.00 0.00 H ATOM 1549 HG2 GLN A 96 -11.924 -5.077 -7.598 1.00 0.00 H ATOM 1550 HG3 GLN A 96 -12.412 -6.613 -8.352 1.00 0.00 H ATOM 1551 HE22 GLN A 96 -12.448 -3.082 -8.578 1.00 0.00 H ATOM 1552 HE21 GLN A 96 -12.983 -3.010 -10.296 1.00 0.00 H ATOM 1553 H GLN A 96 -11.821 -5.270 -5.485 1.00 0.00 H ATOM 1554 N GLU A 97 -12.180 -8.158 -5.308 1.00 0.42 N ATOM 1555 CA GLU A 97 -11.687 -9.535 -5.381 1.00 0.48 C ATOM 1556 C GLU A 97 -11.491 -10.125 -3.982 1.00 0.44 C ATOM 1557 O GLU A 97 -11.635 -11.335 -3.782 1.00 0.54 O ATOM 1558 CB GLU A 97 -10.376 -9.618 -6.178 1.00 0.56 C ATOM 1559 CG GLU A 97 -9.275 -8.703 -5.667 1.00 0.74 C ATOM 1560 CD GLU A 97 -7.903 -9.084 -6.187 1.00 0.72 C ATOM 1561 OE1 GLU A 97 -7.347 -10.102 -5.727 1.00 1.30 O ATOM 1562 OE2 GLU A 97 -7.369 -8.367 -7.056 1.00 1.33 O ATOM 1563 HA GLU A 97 -12.443 -10.122 -5.903 1.00 0.00 H ATOM 1564 HB2 GLU A 97 -10.014 -10.645 -6.135 1.00 0.00 H ATOM 1565 HB3 GLU A 97 -10.588 -9.352 -7.214 1.00 0.00 H ATOM 1566 HG2 GLU A 97 -9.496 -7.683 -5.982 1.00 0.00 H ATOM 1567 HG3 GLU A 97 -9.260 -8.751 -4.578 1.00 0.00 H ATOM 1568 H GLU A 97 -11.692 -7.473 -4.697 1.00 0.00 H ATOM 1569 N PHE A 98 -11.166 -9.268 -3.020 1.00 0.38 N ATOM 1570 CA PHE A 98 -10.945 -9.694 -1.642 1.00 0.43 C ATOM 1571 C PHE A 98 -12.260 -10.089 -0.972 1.00 0.49 C ATOM 1572 O PHE A 98 -13.289 -9.441 -1.180 1.00 0.52 O ATOM 1573 CB PHE A 98 -10.280 -8.571 -0.833 1.00 0.46 C ATOM 1574 CG PHE A 98 -8.780 -8.501 -0.967 1.00 0.47 C ATOM 1575 CD1 PHE A 98 -8.124 -9.121 -2.019 1.00 1.34 C ATOM 1576 CD2 PHE A 98 -8.025 -7.814 -0.028 1.00 1.22 C ATOM 1577 CE1 PHE A 98 -6.748 -9.055 -2.132 1.00 1.39 C ATOM 1578 CE2 PHE A 98 -6.649 -7.746 -0.135 1.00 1.21 C ATOM 1579 CZ PHE A 98 -6.010 -8.369 -1.189 1.00 0.56 C ATOM 1580 HA PHE A 98 -10.287 -10.563 -1.666 1.00 0.00 H ATOM 1581 HB2 PHE A 98 -10.696 -7.620 -1.166 1.00 0.00 H ATOM 1582 HB3 PHE A 98 -10.520 -8.722 0.219 1.00 0.00 H ATOM 1583 HD2 PHE A 98 -8.524 -7.321 0.806 1.00 0.00 H ATOM 1584 HE2 PHE A 98 -6.069 -7.202 0.611 1.00 0.00 H ATOM 1585 HZ PHE A 98 -4.925 -8.319 -1.276 1.00 0.00 H ATOM 1586 HE1 PHE A 98 -6.246 -9.545 -2.966 1.00 0.00 H ATOM 1587 HD1 PHE A 98 -8.700 -9.667 -2.766 1.00 0.00 H ATOM 1588 H PHE A 98 -11.066 -8.260 -3.257 1.00 0.00 H ATOM 1589 N PRO A 99 -12.244 -11.172 -0.178 1.00 0.58 N ATOM 1590 CA PRO A 99 -13.429 -11.647 0.548 1.00 0.70 C ATOM 1591 C PRO A 99 -13.874 -10.670 1.636 1.00 0.77 C ATOM 1592 O PRO A 99 -13.212 -9.663 1.891 1.00 1.47 O ATOM 1593 CB PRO A 99 -12.966 -12.969 1.168 1.00 0.78 C ATOM 1594 CG PRO A 99 -11.484 -12.861 1.236 1.00 0.82 C ATOM 1595 CD PRO A 99 -11.079 -12.038 0.049 1.00 0.63 C ATOM 1596 HA PRO A 99 -14.292 -11.752 -0.109 1.00 0.00 H ATOM 1597 HD3 PRO A 99 -10.190 -11.447 0.269 1.00 0.00 H ATOM 1598 HD2 PRO A 99 -10.888 -12.671 -0.818 1.00 0.00 H ATOM 1599 HG3 PRO A 99 -11.028 -13.850 1.186 1.00 0.00 H ATOM 1600 HG2 PRO A 99 -11.181 -12.369 2.160 1.00 0.00 H ATOM 1601 HB2 PRO A 99 -13.388 -13.094 2.165 1.00 0.00 H ATOM 1602 HB3 PRO A 99 -13.261 -13.811 0.542 1.00 0.00 H ATOM 1603 N ARG A 100 -14.976 -10.999 2.299 1.00 0.63 N ATOM 1604 CA ARG A 100 -15.548 -10.151 3.345 1.00 0.65 C ATOM 1605 C ARG A 100 -14.558 -9.868 4.474 1.00 0.61 C ATOM 1606 O ARG A 100 -14.426 -8.730 4.919 1.00 0.76 O ATOM 1607 CB ARG A 100 -16.810 -10.807 3.915 1.00 0.83 C ATOM 1608 CG ARG A 100 -17.866 -11.100 2.863 1.00 1.54 C ATOM 1609 CD ARG A 100 -18.626 -9.846 2.466 1.00 2.05 C ATOM 1610 NE ARG A 100 -19.732 -9.565 3.384 1.00 2.97 N ATOM 1611 CZ ARG A 100 -21.017 -9.774 3.092 1.00 3.79 C ATOM 1612 NH1 ARG A 100 -21.365 -10.273 1.909 1.00 3.82 N ATOM 1613 NH2 ARG A 100 -21.952 -9.490 3.987 1.00 4.87 N ATOM 1614 HA ARG A 100 -15.798 -9.195 2.885 1.00 0.00 H ATOM 1615 HB2 ARG A 100 -16.527 -11.746 4.391 1.00 0.00 H ATOM 1616 HB3 ARG A 100 -17.241 -10.138 4.660 1.00 0.00 H ATOM 1617 HG2 ARG A 100 -17.380 -11.513 1.979 1.00 0.00 H ATOM 1618 HG3 ARG A 100 -18.571 -11.829 3.263 1.00 0.00 H ATOM 1619 HD2 ARG A 100 -19.027 -9.980 1.461 1.00 0.00 H ATOM 1620 HD3 ARG A 100 -17.939 -9.000 2.472 1.00 0.00 H ATOM 1621 HE ARG A 100 -19.501 -9.179 4.322 1.00 0.00 H ATOM 1622 HH12 ARG A 100 -22.368 -10.434 1.687 1.00 0.00 H ATOM 1623 HH11 ARG A 100 -20.634 -10.502 1.206 1.00 0.00 H ATOM 1624 HH22 ARG A 100 -22.954 -9.652 3.761 1.00 0.00 H ATOM 1625 HH21 ARG A 100 -21.684 -9.105 4.915 1.00 0.00 H ATOM 1626 H ARG A 100 -15.451 -11.894 2.066 1.00 0.00 H ATOM 1627 N ASP A 101 -13.850 -10.896 4.920 1.00 0.61 N ATOM 1628 CA ASP A 101 -12.895 -10.740 6.015 1.00 0.66 C ATOM 1629 C ASP A 101 -11.717 -9.848 5.615 1.00 0.59 C ATOM 1630 O ASP A 101 -11.181 -9.113 6.443 1.00 0.70 O ATOM 1631 CB ASP A 101 -12.390 -12.108 6.493 1.00 0.84 C ATOM 1632 CG ASP A 101 -11.103 -12.537 5.817 1.00 1.76 C ATOM 1633 OD1 ASP A 101 -11.172 -13.066 4.687 1.00 2.58 O ATOM 1634 OD2 ASP A 101 -10.018 -12.351 6.413 1.00 2.35 O ATOM 1635 HA ASP A 101 -13.418 -10.252 6.837 1.00 0.00 H ATOM 1636 HB2 ASP A 101 -12.217 -12.058 7.568 1.00 0.00 H ATOM 1637 HB3 ASP A 101 -13.157 -12.854 6.284 1.00 0.00 H ATOM 1638 H ASP A 101 -13.977 -11.831 4.482 1.00 0.00 H ATOM 1639 N LEU A 102 -11.329 -9.892 4.346 1.00 0.55 N ATOM 1640 CA LEU A 102 -10.204 -9.091 3.881 1.00 0.57 C ATOM 1641 C LEU A 102 -10.633 -7.666 3.546 1.00 0.54 C ATOM 1642 O LEU A 102 -9.879 -6.718 3.782 1.00 0.64 O ATOM 1643 CB LEU A 102 -9.522 -9.741 2.673 1.00 0.60 C ATOM 1644 CG LEU A 102 -8.715 -11.011 2.974 1.00 0.68 C ATOM 1645 CD1 LEU A 102 -7.818 -11.371 1.797 1.00 0.83 C ATOM 1646 CD2 LEU A 102 -7.890 -10.839 4.242 1.00 0.85 C ATOM 1647 HA LEU A 102 -9.483 -9.044 4.698 1.00 0.00 H ATOM 1648 HB2 LEU A 102 -10.295 -9.998 1.949 1.00 0.00 H ATOM 1649 HB3 LEU A 102 -8.844 -9.008 2.235 1.00 0.00 H ATOM 1650 HG LEU A 102 -9.418 -11.829 3.132 1.00 0.00 H ATOM 1651 HD21 LEU A 102 -7.200 -10.005 4.115 1.00 0.00 H ATOM 1652 HD22 LEU A 102 -8.555 -10.637 5.082 1.00 0.00 H ATOM 1653 HD23 LEU A 102 -7.327 -11.752 4.434 1.00 0.00 H ATOM 1654 HD11 LEU A 102 -8.432 -11.545 0.913 1.00 0.00 H ATOM 1655 HD12 LEU A 102 -7.126 -10.551 1.605 1.00 0.00 H ATOM 1656 HD13 LEU A 102 -7.256 -12.274 2.033 1.00 0.00 H ATOM 1657 H LEU A 102 -11.834 -10.506 3.676 1.00 0.00 H ATOM 1658 N LYS A 103 -11.844 -7.508 3.011 1.00 0.50 N ATOM 1659 CA LYS A 103 -12.347 -6.185 2.660 1.00 0.54 C ATOM 1660 C LYS A 103 -12.473 -5.326 3.914 1.00 0.52 C ATOM 1661 O LYS A 103 -12.259 -4.118 3.875 1.00 0.56 O ATOM 1662 CB LYS A 103 -13.690 -6.274 1.912 1.00 0.69 C ATOM 1663 CG LYS A 103 -14.901 -6.506 2.807 1.00 0.95 C ATOM 1664 CD LYS A 103 -16.184 -6.620 1.999 1.00 1.22 C ATOM 1665 CE LYS A 103 -16.585 -5.284 1.388 1.00 1.66 C ATOM 1666 NZ LYS A 103 -17.100 -4.333 2.412 1.00 2.36 N ATOM 1667 HA LYS A 103 -11.633 -5.714 1.984 1.00 0.00 H ATOM 1668 HB2 LYS A 103 -13.841 -5.340 1.371 1.00 0.00 H ATOM 1669 HB3 LYS A 103 -13.629 -7.098 1.201 1.00 0.00 H ATOM 1670 HG2 LYS A 103 -14.754 -7.428 3.369 1.00 0.00 H ATOM 1671 HG3 LYS A 103 -14.993 -5.670 3.501 1.00 0.00 H ATOM 1672 HD2 LYS A 103 -16.034 -7.344 1.198 1.00 0.00 H ATOM 1673 HD3 LYS A 103 -16.985 -6.964 2.654 1.00 0.00 H ATOM 1674 HE2 LYS A 103 -17.363 -5.456 0.645 1.00 0.00 H ATOM 1675 HE3 LYS A 103 -15.714 -4.843 0.904 1.00 0.00 H ATOM 1676 HZ1 LYS A 103 -17.936 -4.743 2.874 1.00 0.00 H ATOM 1677 HZ2 LYS A 103 -16.361 -4.157 3.122 1.00 0.00 H ATOM 1678 HZ3 LYS A 103 -17.361 -3.438 1.952 1.00 0.00 H ATOM 1679 H LYS A 103 -12.440 -8.343 2.841 1.00 0.00 H ATOM 1680 N LYS A 104 -12.797 -5.968 5.031 1.00 0.51 N ATOM 1681 CA LYS A 104 -12.929 -5.271 6.302 1.00 0.56 C ATOM 1682 C LYS A 104 -11.576 -4.758 6.776 1.00 0.55 C ATOM 1683 O LYS A 104 -11.464 -3.649 7.299 1.00 0.63 O ATOM 1684 CB LYS A 104 -13.517 -6.199 7.359 1.00 0.65 C ATOM 1685 CG LYS A 104 -15.008 -6.026 7.556 1.00 1.14 C ATOM 1686 CD LYS A 104 -15.511 -6.904 8.685 1.00 1.34 C ATOM 1687 CE LYS A 104 -16.884 -6.465 9.157 1.00 1.98 C ATOM 1688 NZ LYS A 104 -17.393 -7.317 10.262 1.00 2.57 N ATOM 1689 HA LYS A 104 -13.599 -4.424 6.154 1.00 0.00 H ATOM 1690 HB2 LYS A 104 -13.326 -7.229 7.058 1.00 0.00 H ATOM 1691 HB3 LYS A 104 -13.018 -6.001 8.308 1.00 0.00 H ATOM 1692 HG2 LYS A 104 -15.218 -4.983 7.794 1.00 0.00 H ATOM 1693 HG3 LYS A 104 -15.524 -6.298 6.635 1.00 0.00 H ATOM 1694 HD2 LYS A 104 -15.569 -7.935 8.335 1.00 0.00 H ATOM 1695 HD3 LYS A 104 -14.813 -6.844 9.520 1.00 0.00 H ATOM 1696 HE2 LYS A 104 -17.579 -6.523 8.319 1.00 0.00 H ATOM 1697 HE3 LYS A 104 -16.823 -5.434 9.507 1.00 0.00 H ATOM 1698 HZ1 LYS A 104 -17.461 -8.302 9.935 1.00 0.00 H ATOM 1699 HZ2 LYS A 104 -16.739 -7.263 11.069 1.00 0.00 H ATOM 1700 HZ3 LYS A 104 -18.333 -6.981 10.553 1.00 0.00 H ATOM 1701 H LYS A 104 -12.960 -6.994 4.996 1.00 0.00 H ATOM 1702 N LYS A 105 -10.549 -5.571 6.576 1.00 0.55 N ATOM 1703 CA LYS A 105 -9.202 -5.217 6.984 1.00 0.60 C ATOM 1704 C LYS A 105 -8.688 -4.032 6.174 1.00 0.52 C ATOM 1705 O LYS A 105 -8.102 -3.107 6.731 1.00 0.55 O ATOM 1706 CB LYS A 105 -8.268 -6.425 6.846 1.00 0.70 C ATOM 1707 CG LYS A 105 -8.560 -7.523 7.858 1.00 0.88 C ATOM 1708 CD LYS A 105 -7.966 -8.856 7.436 1.00 1.26 C ATOM 1709 CE LYS A 105 -8.365 -9.957 8.398 1.00 1.76 C ATOM 1710 NZ LYS A 105 -7.997 -11.299 7.882 1.00 2.44 N ATOM 1711 HA LYS A 105 -9.223 -4.921 8.033 1.00 0.00 H ATOM 1712 HB2 LYS A 105 -8.380 -6.838 5.843 1.00 0.00 H ATOM 1713 HB3 LYS A 105 -7.241 -6.088 6.986 1.00 0.00 H ATOM 1714 HG2 LYS A 105 -8.136 -7.237 8.821 1.00 0.00 H ATOM 1715 HG3 LYS A 105 -9.640 -7.634 7.956 1.00 0.00 H ATOM 1716 HD2 LYS A 105 -8.325 -9.107 6.438 1.00 0.00 H ATOM 1717 HD3 LYS A 105 -6.879 -8.773 7.419 1.00 0.00 H ATOM 1718 HE2 LYS A 105 -9.444 -9.920 8.549 1.00 0.00 H ATOM 1719 HE3 LYS A 105 -7.860 -9.794 9.350 1.00 0.00 H ATOM 1720 HZ1 LYS A 105 -8.480 -11.465 6.976 1.00 0.00 H ATOM 1721 HZ2 LYS A 105 -6.968 -11.345 7.741 1.00 0.00 H ATOM 1722 HZ3 LYS A 105 -8.287 -12.024 8.569 1.00 0.00 H ATOM 1723 H LYS A 105 -10.713 -6.488 6.114 1.00 0.00 H ATOM 1724 N LEU A 106 -8.937 -4.039 4.867 1.00 0.51 N ATOM 1725 CA LEU A 106 -8.487 -2.941 4.019 1.00 0.52 C ATOM 1726 C LEU A 106 -9.326 -1.690 4.270 1.00 0.45 C ATOM 1727 O LEU A 106 -8.872 -0.572 4.022 1.00 0.46 O ATOM 1728 CB LEU A 106 -8.506 -3.332 2.527 1.00 0.65 C ATOM 1729 CG LEU A 106 -9.884 -3.544 1.890 1.00 0.71 C ATOM 1730 CD1 LEU A 106 -10.406 -2.252 1.275 1.00 1.27 C ATOM 1731 CD2 LEU A 106 -9.814 -4.632 0.830 1.00 1.04 C ATOM 1732 HA LEU A 106 -7.453 -2.719 4.282 1.00 0.00 H ATOM 1733 HB2 LEU A 106 -8.003 -2.541 1.971 1.00 0.00 H ATOM 1734 HB3 LEU A 106 -7.946 -4.261 2.421 1.00 0.00 H ATOM 1735 HG LEU A 106 -10.574 -3.854 2.675 1.00 0.00 H ATOM 1736 HD21 LEU A 106 -9.105 -4.338 0.056 1.00 0.00 H ATOM 1737 HD22 LEU A 106 -9.487 -5.565 1.289 1.00 0.00 H ATOM 1738 HD23 LEU A 106 -10.800 -4.770 0.387 1.00 0.00 H ATOM 1739 HD11 LEU A 106 -10.492 -1.491 2.050 1.00 0.00 H ATOM 1740 HD12 LEU A 106 -9.713 -1.912 0.505 1.00 0.00 H ATOM 1741 HD13 LEU A 106 -11.385 -2.432 0.831 1.00 0.00 H ATOM 1742 H LEU A 106 -9.457 -4.835 4.446 1.00 0.00 H ATOM 1743 N SER A 107 -10.540 -1.881 4.785 1.00 0.45 N ATOM 1744 CA SER A 107 -11.429 -0.765 5.074 1.00 0.46 C ATOM 1745 C SER A 107 -10.809 0.156 6.119 1.00 0.47 C ATOM 1746 O SER A 107 -10.807 1.372 5.952 1.00 0.51 O ATOM 1747 CB SER A 107 -12.793 -1.268 5.551 1.00 0.54 C ATOM 1748 OG SER A 107 -13.488 -1.921 4.502 1.00 1.15 O ATOM 1749 HA SER A 107 -11.574 -0.199 4.154 1.00 0.00 H ATOM 1750 HB2 SER A 107 -13.385 -0.421 5.898 1.00 0.00 H ATOM 1751 HB3 SER A 107 -12.647 -1.969 6.373 1.00 0.00 H ATOM 1752 HG SER A 107 -12.956 -2.694 4.186 1.00 0.00 H ATOM 1753 H SER A 107 -10.860 -2.850 4.985 1.00 0.00 H ATOM 1754 N ARG A 108 -10.254 -0.425 7.180 1.00 0.49 N ATOM 1755 CA ARG A 108 -9.633 0.374 8.229 1.00 0.55 C ATOM 1756 C ARG A 108 -8.299 0.943 7.749 1.00 0.54 C ATOM 1757 O ARG A 108 -7.873 2.009 8.190 1.00 0.62 O ATOM 1758 CB ARG A 108 -9.447 -0.442 9.516 1.00 0.67 C ATOM 1759 CG ARG A 108 -8.337 -1.479 9.460 1.00 1.10 C ATOM 1760 CD ARG A 108 -8.017 -2.018 10.846 1.00 1.49 C ATOM 1761 NE ARG A 108 -8.322 -3.445 10.973 1.00 2.15 N ATOM 1762 CZ ARG A 108 -8.092 -4.165 12.075 1.00 2.81 C ATOM 1763 NH1 ARG A 108 -7.589 -3.592 13.165 1.00 3.15 N ATOM 1764 NH2 ARG A 108 -8.381 -5.461 12.088 1.00 3.60 N ATOM 1765 HA ARG A 108 -10.300 1.205 8.459 1.00 0.00 H ATOM 1766 HB2 ARG A 108 -9.223 0.251 10.327 1.00 0.00 H ATOM 1767 HB3 ARG A 108 -10.383 -0.958 9.728 1.00 0.00 H ATOM 1768 HG2 ARG A 108 -8.653 -2.304 8.822 1.00 0.00 H ATOM 1769 HG3 ARG A 108 -7.442 -1.020 9.041 1.00 0.00 H ATOM 1770 HD2 ARG A 108 -8.604 -1.467 11.581 1.00 0.00 H ATOM 1771 HD3 ARG A 108 -6.956 -1.867 11.044 1.00 0.00 H ATOM 1772 HE ARG A 108 -8.744 -3.928 10.154 1.00 0.00 H ATOM 1773 HH12 ARG A 108 -7.414 -4.161 14.018 1.00 0.00 H ATOM 1774 HH11 ARG A 108 -7.371 -2.575 13.164 1.00 0.00 H ATOM 1775 HH22 ARG A 108 -8.203 -6.025 12.944 1.00 0.00 H ATOM 1776 HH21 ARG A 108 -8.785 -5.912 11.242 1.00 0.00 H ATOM 1777 H ARG A 108 -10.264 -1.462 7.262 1.00 0.00 H ATOM 1778 N VAL A 109 -7.656 0.238 6.822 1.00 0.53 N ATOM 1779 CA VAL A 109 -6.379 0.682 6.277 1.00 0.60 C ATOM 1780 C VAL A 109 -6.574 1.936 5.434 1.00 0.57 C ATOM 1781 O VAL A 109 -5.850 2.918 5.591 1.00 0.61 O ATOM 1782 CB VAL A 109 -5.702 -0.416 5.423 1.00 0.72 C ATOM 1783 CG1 VAL A 109 -4.423 0.103 4.781 1.00 1.14 C ATOM 1784 CG2 VAL A 109 -5.402 -1.645 6.267 1.00 1.25 C ATOM 1785 HA VAL A 109 -5.725 0.903 7.121 1.00 0.00 H ATOM 1786 HB VAL A 109 -6.396 -0.697 4.630 1.00 0.00 H ATOM 1787 HG11 VAL A 109 -4.659 0.951 4.138 1.00 0.00 H ATOM 1788 HG12 VAL A 109 -3.729 0.418 5.560 1.00 0.00 H ATOM 1789 HG13 VAL A 109 -3.969 -0.690 4.187 1.00 0.00 H ATOM 1790 HG21 VAL A 109 -4.733 -1.370 7.082 1.00 0.00 H ATOM 1791 HG22 VAL A 109 -6.332 -2.039 6.676 1.00 0.00 H ATOM 1792 HG23 VAL A 109 -4.926 -2.404 5.646 1.00 0.00 H ATOM 1793 H VAL A 109 -8.074 -0.650 6.478 1.00 0.00 H ATOM 1794 N VAL A 110 -7.572 1.907 4.558 1.00 0.54 N ATOM 1795 CA VAL A 110 -7.858 3.046 3.696 1.00 0.59 C ATOM 1796 C VAL A 110 -8.553 4.158 4.481 1.00 0.54 C ATOM 1797 O VAL A 110 -8.471 5.336 4.120 1.00 0.54 O ATOM 1798 CB VAL A 110 -8.714 2.640 2.469 1.00 0.70 C ATOM 1799 CG1 VAL A 110 -10.156 2.346 2.859 1.00 1.11 C ATOM 1800 CG2 VAL A 110 -8.660 3.717 1.395 1.00 1.06 C ATOM 1801 HA VAL A 110 -6.903 3.419 3.326 1.00 0.00 H ATOM 1802 HB VAL A 110 -8.289 1.722 2.064 1.00 0.00 H ATOM 1803 HG11 VAL A 110 -10.177 1.527 3.578 1.00 0.00 H ATOM 1804 HG12 VAL A 110 -10.599 3.236 3.307 1.00 0.00 H ATOM 1805 HG13 VAL A 110 -10.721 2.065 1.970 1.00 0.00 H ATOM 1806 HG21 VAL A 110 -9.046 4.652 1.800 1.00 0.00 H ATOM 1807 HG22 VAL A 110 -7.628 3.857 1.074 1.00 0.00 H ATOM 1808 HG23 VAL A 110 -9.268 3.410 0.544 1.00 0.00 H ATOM 1809 H VAL A 110 -8.162 1.053 4.486 1.00 0.00 H ATOM 1810 N ASN A 111 -9.225 3.782 5.565 1.00 0.55 N ATOM 1811 CA ASN A 111 -9.925 4.747 6.401 1.00 0.59 C ATOM 1812 C ASN A 111 -8.937 5.694 7.061 1.00 0.57 C ATOM 1813 O ASN A 111 -9.102 6.913 7.005 1.00 0.60 O ATOM 1814 CB ASN A 111 -10.759 4.039 7.470 1.00 0.68 C ATOM 1815 CG ASN A 111 -11.539 5.009 8.334 1.00 1.02 C ATOM 1816 OD1 ASN A 111 -12.431 5.709 7.855 1.00 1.61 O ATOM 1817 ND2 ASN A 111 -11.209 5.056 9.612 1.00 1.74 N ATOM 1818 HA ASN A 111 -10.595 5.322 5.761 1.00 0.00 H ATOM 1819 HB2 ASN A 111 -11.461 3.367 6.977 1.00 0.00 H ATOM 1820 HB3 ASN A 111 -10.091 3.461 8.109 1.00 0.00 H ATOM 1821 HD22 ASN A 111 -10.449 4.447 9.975 1.00 0.00 H ATOM 1822 HD21 ASN A 111 -11.710 5.702 10.255 1.00 0.00 H ATOM 1823 H ASN A 111 -9.251 2.775 5.822 1.00 0.00 H ATOM 1824 N ILE A 112 -7.890 5.134 7.655 1.00 0.57 N ATOM 1825 CA ILE A 112 -6.880 5.940 8.323 1.00 0.61 C ATOM 1826 C ILE A 112 -6.158 6.847 7.324 1.00 0.57 C ATOM 1827 O ILE A 112 -5.673 7.918 7.683 1.00 0.62 O ATOM 1828 CB ILE A 112 -5.863 5.060 9.094 1.00 0.70 C ATOM 1829 CG1 ILE A 112 -5.208 5.870 10.217 1.00 0.94 C ATOM 1830 CG2 ILE A 112 -4.801 4.488 8.162 1.00 0.92 C ATOM 1831 CD1 ILE A 112 -4.422 5.024 11.196 1.00 1.21 C ATOM 1832 HA ILE A 112 -7.394 6.567 9.052 1.00 0.00 H ATOM 1833 HB ILE A 112 -6.407 4.222 9.530 1.00 0.00 H ATOM 1834 HG12 ILE A 112 -4.531 6.597 9.768 1.00 0.00 H ATOM 1835 HG13 ILE A 112 -5.990 6.395 10.765 1.00 0.00 H ATOM 1836 HD11 ILE A 112 -5.088 4.298 11.663 1.00 0.00 H ATOM 1837 HD12 ILE A 112 -3.627 4.501 10.665 1.00 0.00 H ATOM 1838 HD13 ILE A 112 -3.988 5.666 11.962 1.00 0.00 H ATOM 1839 HG21 ILE A 112 -5.281 3.875 7.399 1.00 0.00 H ATOM 1840 HG22 ILE A 112 -4.260 5.305 7.685 1.00 0.00 H ATOM 1841 HG23 ILE A 112 -4.106 3.877 8.737 1.00 0.00 H ATOM 1842 H ILE A 112 -7.790 4.099 7.642 1.00 0.00 H ATOM 1843 N LEU A 113 -6.123 6.430 6.060 1.00 0.51 N ATOM 1844 CA LEU A 113 -5.462 7.205 5.018 1.00 0.52 C ATOM 1845 C LEU A 113 -6.206 8.510 4.752 1.00 0.48 C ATOM 1846 O LEU A 113 -5.591 9.566 4.600 1.00 0.53 O ATOM 1847 CB LEU A 113 -5.350 6.392 3.723 1.00 0.56 C ATOM 1848 CG LEU A 113 -4.560 5.086 3.841 1.00 0.74 C ATOM 1849 CD1 LEU A 113 -4.531 4.362 2.506 1.00 1.33 C ATOM 1850 CD2 LEU A 113 -3.144 5.352 4.335 1.00 1.27 C ATOM 1851 HA LEU A 113 -4.458 7.444 5.369 1.00 0.00 H ATOM 1852 HB2 LEU A 113 -6.358 6.148 3.389 1.00 0.00 H ATOM 1853 HB3 LEU A 113 -4.862 7.015 2.974 1.00 0.00 H ATOM 1854 HG LEU A 113 -5.060 4.449 4.571 1.00 0.00 H ATOM 1855 HD21 LEU A 113 -2.633 6.010 3.632 1.00 0.00 H ATOM 1856 HD22 LEU A 113 -3.186 5.827 5.315 1.00 0.00 H ATOM 1857 HD23 LEU A 113 -2.604 4.408 4.410 1.00 0.00 H ATOM 1858 HD11 LEU A 113 -5.551 4.134 2.196 1.00 0.00 H ATOM 1859 HD12 LEU A 113 -4.056 4.998 1.759 1.00 0.00 H ATOM 1860 HD13 LEU A 113 -3.965 3.436 2.609 1.00 0.00 H ATOM 1861 H LEU A 113 -6.579 5.529 5.810 1.00 0.00 H ATOM 1862 N LYS A 114 -7.532 8.444 4.714 1.00 0.47 N ATOM 1863 CA LYS A 114 -8.331 9.635 4.463 1.00 0.50 C ATOM 1864 C LYS A 114 -8.570 10.416 5.754 1.00 0.52 C ATOM 1865 O LYS A 114 -8.763 11.631 5.725 1.00 0.57 O ATOM 1866 CB LYS A 114 -9.660 9.282 3.779 1.00 0.58 C ATOM 1867 CG LYS A 114 -10.575 8.372 4.583 1.00 0.69 C ATOM 1868 CD LYS A 114 -11.860 8.088 3.821 1.00 0.89 C ATOM 1869 CE LYS A 114 -12.873 7.346 4.676 1.00 1.33 C ATOM 1870 NZ LYS A 114 -14.158 7.137 3.954 1.00 1.69 N ATOM 1871 HA LYS A 114 -7.768 10.274 3.782 1.00 0.00 H ATOM 1872 HB2 LYS A 114 -10.195 10.210 3.581 1.00 0.00 H ATOM 1873 HB3 LYS A 114 -9.434 8.786 2.835 1.00 0.00 H ATOM 1874 HG2 LYS A 114 -10.061 7.431 4.780 1.00 0.00 H ATOM 1875 HG3 LYS A 114 -10.819 8.856 5.529 1.00 0.00 H ATOM 1876 HD2 LYS A 114 -12.296 9.034 3.499 1.00 0.00 H ATOM 1877 HD3 LYS A 114 -11.625 7.481 2.946 1.00 0.00 H ATOM 1878 HE2 LYS A 114 -13.065 7.926 5.579 1.00 0.00 H ATOM 1879 HE3 LYS A 114 -12.460 6.375 4.950 1.00 0.00 H ATOM 1880 HZ1 LYS A 114 -14.562 8.059 3.694 1.00 0.00 H ATOM 1881 HZ2 LYS A 114 -13.984 6.579 3.094 1.00 0.00 H ATOM 1882 HZ3 LYS A 114 -14.822 6.628 4.571 1.00 0.00 H ATOM 1883 H LYS A 114 -8.005 7.530 4.865 1.00 0.00 H ATOM 1884 N GLU A 115 -8.545 9.719 6.885 1.00 0.54 N ATOM 1885 CA GLU A 115 -8.742 10.359 8.183 1.00 0.61 C ATOM 1886 C GLU A 115 -7.531 11.206 8.559 1.00 0.61 C ATOM 1887 O GLU A 115 -7.667 12.262 9.173 1.00 0.71 O ATOM 1888 CB GLU A 115 -8.997 9.310 9.266 1.00 0.68 C ATOM 1889 CG GLU A 115 -10.415 8.764 9.264 1.00 0.98 C ATOM 1890 CD GLU A 115 -11.451 9.825 9.572 1.00 1.47 C ATOM 1891 OE1 GLU A 115 -11.538 10.255 10.742 1.00 1.99 O ATOM 1892 OE2 GLU A 115 -12.188 10.231 8.646 1.00 2.20 O ATOM 1893 HA GLU A 115 -9.614 11.009 8.107 1.00 0.00 H ATOM 1894 HB2 GLU A 115 -8.308 8.480 9.111 1.00 0.00 H ATOM 1895 HB3 GLU A 115 -8.804 9.764 10.238 1.00 0.00 H ATOM 1896 HG2 GLU A 115 -10.626 8.345 8.280 1.00 0.00 H ATOM 1897 HG3 GLU A 115 -10.487 7.978 10.015 1.00 0.00 H ATOM 1898 H GLU A 115 -8.381 8.693 6.845 1.00 0.00 H ATOM 1899 N ARG A 116 -6.349 10.738 8.184 1.00 0.57 N ATOM 1900 CA ARG A 116 -5.114 11.455 8.484 1.00 0.62 C ATOM 1901 C ARG A 116 -4.708 12.355 7.321 1.00 0.58 C ATOM 1902 O ARG A 116 -3.658 12.997 7.366 1.00 0.63 O ATOM 1903 CB ARG A 116 -3.987 10.466 8.790 1.00 0.67 C ATOM 1904 CG ARG A 116 -4.282 9.540 9.963 1.00 0.80 C ATOM 1905 CD ARG A 116 -4.337 10.305 11.275 1.00 1.19 C ATOM 1906 NE ARG A 116 -3.041 10.880 11.623 1.00 1.74 N ATOM 1907 CZ ARG A 116 -2.875 11.897 12.462 1.00 2.40 C ATOM 1908 NH1 ARG A 116 -3.928 12.487 13.015 1.00 2.79 N ATOM 1909 NH2 ARG A 116 -1.653 12.328 12.748 1.00 3.23 N ATOM 1910 HA ARG A 116 -5.292 12.079 9.360 1.00 0.00 H ATOM 1911 HB2 ARG A 116 -3.816 9.855 7.904 1.00 0.00 H ATOM 1912 HB3 ARG A 116 -3.085 11.033 9.018 1.00 0.00 H ATOM 1913 HG2 ARG A 116 -5.242 9.052 9.797 1.00 0.00 H ATOM 1914 HG3 ARG A 116 -3.498 8.785 10.025 1.00 0.00 H ATOM 1915 HD2 ARG A 116 -4.645 9.624 12.068 1.00 0.00 H ATOM 1916 HD3 ARG A 116 -5.067 11.109 11.184 1.00 0.00 H ATOM 1917 HE ARG A 116 -2.193 10.467 11.186 1.00 0.00 H ATOM 1918 HH12 ARG A 116 -3.793 13.283 13.671 1.00 0.00 H ATOM 1919 HH11 ARG A 116 -4.888 12.154 12.792 1.00 0.00 H ATOM 1920 HH22 ARG A 116 -1.523 13.124 13.405 1.00 0.00 H ATOM 1921 HH21 ARG A 116 -0.826 11.870 12.316 1.00 0.00 H ATOM 1922 H ARG A 116 -6.301 9.839 7.664 1.00 0.00 H ATOM 1923 N ASN A 117 -5.555 12.392 6.290 1.00 0.52 N ATOM 1924 CA ASN A 117 -5.309 13.198 5.092 1.00 0.52 C ATOM 1925 C ASN A 117 -3.923 12.903 4.527 1.00 0.50 C ATOM 1926 O ASN A 117 -3.080 13.794 4.391 1.00 0.57 O ATOM 1927 CB ASN A 117 -5.458 14.692 5.403 1.00 0.63 C ATOM 1928 CG ASN A 117 -5.726 15.520 4.161 1.00 1.18 C ATOM 1929 OD1 ASN A 117 -4.804 16.039 3.531 1.00 2.00 O ATOM 1930 ND2 ASN A 117 -6.993 15.657 3.803 1.00 1.74 N ATOM 1931 HA ASN A 117 -6.052 12.931 4.341 1.00 0.00 H ATOM 1932 HB2 ASN A 117 -6.288 14.824 6.097 1.00 0.00 H ATOM 1933 HB3 ASN A 117 -4.538 15.046 5.868 1.00 0.00 H ATOM 1934 HD22 ASN A 117 -7.743 15.203 4.362 1.00 0.00 H ATOM 1935 HD21 ASN A 117 -7.238 16.219 2.963 1.00 0.00 H ATOM 1936 H ASN A 117 -6.426 11.825 6.339 1.00 0.00 H ATOM 1937 N ILE A 118 -3.688 11.633 4.228 1.00 0.46 N ATOM 1938 CA ILE A 118 -2.409 11.193 3.692 1.00 0.48 C ATOM 1939 C ILE A 118 -2.236 11.642 2.246 1.00 0.47 C ATOM 1940 O ILE A 118 -1.189 12.169 1.872 1.00 0.54 O ATOM 1941 CB ILE A 118 -2.271 9.655 3.773 1.00 0.50 C ATOM 1942 CG1 ILE A 118 -2.376 9.182 5.228 1.00 0.54 C ATOM 1943 CG2 ILE A 118 -0.958 9.195 3.155 1.00 0.55 C ATOM 1944 CD1 ILE A 118 -1.264 9.685 6.124 1.00 0.61 C ATOM 1945 HA ILE A 118 -1.629 11.651 4.301 1.00 0.00 H ATOM 1946 HB ILE A 118 -3.088 9.210 3.205 1.00 0.00 H ATOM 1947 HG12 ILE A 118 -3.326 9.530 5.633 1.00 0.00 H ATOM 1948 HG13 ILE A 118 -2.356 8.092 5.236 1.00 0.00 H ATOM 1949 HD11 ILE A 118 -0.305 9.336 5.741 1.00 0.00 H ATOM 1950 HD12 ILE A 118 -1.276 10.775 6.139 1.00 0.00 H ATOM 1951 HD13 ILE A 118 -1.413 9.305 7.135 1.00 0.00 H ATOM 1952 HG21 ILE A 118 -0.926 9.496 2.108 1.00 0.00 H ATOM 1953 HG22 ILE A 118 -0.126 9.651 3.691 1.00 0.00 H ATOM 1954 HG23 ILE A 118 -0.886 8.110 3.225 1.00 0.00 H ATOM 1955 H ILE A 118 -4.440 10.931 4.381 1.00 0.00 H ATOM 1956 N PHE A 119 -3.269 11.442 1.443 1.00 0.45 N ATOM 1957 CA PHE A 119 -3.219 11.816 0.035 1.00 0.47 C ATOM 1958 C PHE A 119 -4.042 13.074 -0.226 1.00 0.49 C ATOM 1959 O PHE A 119 -4.774 13.540 0.647 1.00 0.51 O ATOM 1960 CB PHE A 119 -3.737 10.675 -0.846 1.00 0.48 C ATOM 1961 CG PHE A 119 -3.099 9.342 -0.572 1.00 0.43 C ATOM 1962 CD1 PHE A 119 -1.738 9.159 -0.744 1.00 1.26 C ATOM 1963 CD2 PHE A 119 -3.867 8.271 -0.148 1.00 1.12 C ATOM 1964 CE1 PHE A 119 -1.154 7.931 -0.501 1.00 1.26 C ATOM 1965 CE2 PHE A 119 -3.289 7.041 0.098 1.00 1.13 C ATOM 1966 CZ PHE A 119 -1.931 6.870 -0.079 1.00 0.44 C ATOM 1967 HA PHE A 119 -2.178 12.018 -0.216 1.00 0.00 H ATOM 1968 HB2 PHE A 119 -4.811 10.579 -0.684 1.00 0.00 H ATOM 1969 HB3 PHE A 119 -3.549 10.936 -1.888 1.00 0.00 H ATOM 1970 HD2 PHE A 119 -4.940 8.400 -0.007 1.00 0.00 H ATOM 1971 HE2 PHE A 119 -3.905 6.206 0.432 1.00 0.00 H ATOM 1972 HZ PHE A 119 -1.473 5.900 0.114 1.00 0.00 H ATOM 1973 HE1 PHE A 119 -0.081 7.799 -0.642 1.00 0.00 H ATOM 1974 HD1 PHE A 119 -1.120 9.993 -1.075 1.00 0.00 H ATOM 1975 H PHE A 119 -4.134 11.009 1.824 1.00 0.00 H ATOM 1976 N SER A 120 -3.909 13.616 -1.431 1.00 0.51 N ATOM 1977 CA SER A 120 -4.644 14.806 -1.827 1.00 0.55 C ATOM 1978 C SER A 120 -6.142 14.506 -1.896 1.00 0.50 C ATOM 1979 O SER A 120 -6.539 13.394 -2.248 1.00 0.48 O ATOM 1980 CB SER A 120 -4.135 15.278 -3.187 1.00 0.63 C ATOM 1981 OG SER A 120 -2.937 14.601 -3.534 1.00 1.30 O ATOM 1982 HA SER A 120 -4.487 15.592 -1.088 1.00 0.00 H ATOM 1983 HB2 SER A 120 -3.942 16.350 -3.145 1.00 0.00 H ATOM 1984 HB3 SER A 120 -4.893 15.076 -3.944 1.00 0.00 H ATOM 1985 HG SER A 120 -2.623 14.920 -4.417 1.00 0.00 H ATOM 1986 H SER A 120 -3.259 13.175 -2.113 1.00 0.00 H ATOM 1987 N LYS A 121 -6.969 15.499 -1.576 1.00 0.56 N ATOM 1988 CA LYS A 121 -8.422 15.330 -1.590 1.00 0.56 C ATOM 1989 C LYS A 121 -8.917 14.878 -2.966 1.00 0.53 C ATOM 1990 O LYS A 121 -9.916 14.167 -3.077 1.00 0.52 O ATOM 1991 CB LYS A 121 -9.109 16.638 -1.181 1.00 0.70 C ATOM 1992 CG LYS A 121 -8.858 17.800 -2.135 1.00 1.23 C ATOM 1993 CD LYS A 121 -9.114 19.141 -1.463 1.00 1.78 C ATOM 1994 CE LYS A 121 -10.573 19.305 -1.066 1.00 2.37 C ATOM 1995 NZ LYS A 121 -10.844 20.647 -0.489 1.00 2.85 N ATOM 1996 HA LYS A 121 -8.678 14.552 -0.871 1.00 0.00 H ATOM 1997 HB2 LYS A 121 -10.183 16.460 -1.134 1.00 0.00 H ATOM 1998 HB3 LYS A 121 -8.745 16.921 -0.193 1.00 0.00 H ATOM 1999 HG2 LYS A 121 -7.822 17.765 -2.471 1.00 0.00 H ATOM 2000 HG3 LYS A 121 -9.521 17.702 -2.994 1.00 0.00 H ATOM 2001 HD2 LYS A 121 -8.495 19.212 -0.569 1.00 0.00 H ATOM 2002 HD3 LYS A 121 -8.844 19.939 -2.154 1.00 0.00 H ATOM 2003 HE2 LYS A 121 -10.824 18.546 -0.325 1.00 0.00 H ATOM 2004 HE3 LYS A 121 -11.196 19.169 -1.950 1.00 0.00 H ATOM 2005 HZ1 LYS A 121 -10.258 20.783 0.360 1.00 0.00 H ATOM 2006 HZ2 LYS A 121 -10.613 21.378 -1.192 1.00 0.00 H ATOM 2007 HZ3 LYS A 121 -11.849 20.716 -0.232 1.00 0.00 H ATOM 2008 H LYS A 121 -6.571 16.422 -1.308 1.00 0.00 H ATOM 2009 N GLN A 122 -8.188 15.272 -4.005 1.00 0.60 N ATOM 2010 CA GLN A 122 -8.537 14.923 -5.378 1.00 0.67 C ATOM 2011 C GLN A 122 -8.572 13.412 -5.581 1.00 0.60 C ATOM 2012 O GLN A 122 -9.530 12.873 -6.141 1.00 0.73 O ATOM 2013 CB GLN A 122 -7.540 15.553 -6.348 1.00 0.80 C ATOM 2014 CG GLN A 122 -7.682 17.058 -6.469 1.00 1.48 C ATOM 2015 CD GLN A 122 -6.376 17.739 -6.816 1.00 2.20 C ATOM 2016 OE1 GLN A 122 -5.306 17.326 -6.372 1.00 2.95 O ATOM 2017 NE2 GLN A 122 -6.453 18.785 -7.620 1.00 2.69 N ATOM 2018 HA GLN A 122 -9.536 15.313 -5.576 1.00 0.00 H ATOM 2019 HB2 GLN A 122 -6.531 15.328 -6.001 1.00 0.00 H ATOM 2020 HB3 GLN A 122 -7.691 15.112 -7.333 1.00 0.00 H ATOM 2021 HG2 GLN A 122 -8.410 17.279 -7.250 1.00 0.00 H ATOM 2022 HG3 GLN A 122 -8.040 17.453 -5.518 1.00 0.00 H ATOM 2023 HE22 GLN A 122 -7.378 19.102 -7.974 1.00 0.00 H ATOM 2024 HE21 GLN A 122 -5.588 19.291 -7.899 1.00 0.00 H ATOM 2025 H GLN A 122 -7.340 15.849 -3.834 1.00 0.00 H ATOM 2026 N VAL A 123 -7.536 12.732 -5.110 1.00 0.51 N ATOM 2027 CA VAL A 123 -7.453 11.287 -5.257 1.00 0.53 C ATOM 2028 C VAL A 123 -8.204 10.572 -4.136 1.00 0.48 C ATOM 2029 O VAL A 123 -8.757 9.497 -4.349 1.00 0.48 O ATOM 2030 CB VAL A 123 -5.985 10.795 -5.327 1.00 0.67 C ATOM 2031 CG1 VAL A 123 -5.260 11.002 -4.006 1.00 0.95 C ATOM 2032 CG2 VAL A 123 -5.924 9.335 -5.752 1.00 1.28 C ATOM 2033 HA VAL A 123 -7.931 11.038 -6.205 1.00 0.00 H ATOM 2034 HB VAL A 123 -5.474 11.395 -6.080 1.00 0.00 H ATOM 2035 HG11 VAL A 123 -5.256 12.063 -3.758 1.00 0.00 H ATOM 2036 HG12 VAL A 123 -5.772 10.446 -3.221 1.00 0.00 H ATOM 2037 HG13 VAL A 123 -4.234 10.645 -4.096 1.00 0.00 H ATOM 2038 HG21 VAL A 123 -6.466 8.725 -5.029 1.00 0.00 H ATOM 2039 HG22 VAL A 123 -6.379 9.225 -6.736 1.00 0.00 H ATOM 2040 HG23 VAL A 123 -4.883 9.013 -5.794 1.00 0.00 H ATOM 2041 H VAL A 123 -6.769 13.241 -4.627 1.00 0.00 H ATOM 2042 N VAL A 124 -8.246 11.177 -2.952 1.00 0.48 N ATOM 2043 CA VAL A 124 -8.952 10.580 -1.822 1.00 0.49 C ATOM 2044 C VAL A 124 -10.427 10.378 -2.163 1.00 0.47 C ATOM 2045 O VAL A 124 -11.004 9.322 -1.884 1.00 0.50 O ATOM 2046 CB VAL A 124 -8.829 11.449 -0.550 1.00 0.56 C ATOM 2047 CG1 VAL A 124 -9.827 11.017 0.515 1.00 1.23 C ATOM 2048 CG2 VAL A 124 -7.415 11.391 0.003 1.00 1.11 C ATOM 2049 HA VAL A 124 -8.488 9.614 -1.622 1.00 0.00 H ATOM 2050 HB VAL A 124 -9.056 12.478 -0.830 1.00 0.00 H ATOM 2051 HG11 VAL A 124 -10.840 11.116 0.124 1.00 0.00 H ATOM 2052 HG12 VAL A 124 -9.641 9.978 0.786 1.00 0.00 H ATOM 2053 HG13 VAL A 124 -9.713 11.649 1.396 1.00 0.00 H ATOM 2054 HG21 VAL A 124 -7.166 10.360 0.254 1.00 0.00 H ATOM 2055 HG22 VAL A 124 -6.717 11.762 -0.748 1.00 0.00 H ATOM 2056 HG23 VAL A 124 -7.351 12.010 0.898 1.00 0.00 H ATOM 2057 H VAL A 124 -7.767 12.092 -2.829 1.00 0.00 H ATOM 2058 N ASN A 125 -11.017 11.385 -2.797 1.00 0.47 N ATOM 2059 CA ASN A 125 -12.423 11.335 -3.187 1.00 0.50 C ATOM 2060 C ASN A 125 -12.653 10.290 -4.279 1.00 0.49 C ATOM 2061 O ASN A 125 -13.773 9.821 -4.480 1.00 0.55 O ATOM 2062 CB ASN A 125 -12.889 12.710 -3.670 1.00 0.58 C ATOM 2063 CG ASN A 125 -14.383 12.910 -3.499 1.00 1.10 C ATOM 2064 OD1 ASN A 125 -15.178 12.474 -4.330 1.00 1.74 O ATOM 2065 ND2 ASN A 125 -14.772 13.580 -2.427 1.00 1.74 N ATOM 2066 HA ASN A 125 -13.006 11.049 -2.312 1.00 0.00 H ATOM 2067 HB2 ASN A 125 -12.366 13.477 -3.099 1.00 0.00 H ATOM 2068 HB3 ASN A 125 -12.641 12.812 -4.726 1.00 0.00 H ATOM 2069 HD22 ASN A 125 -14.066 13.931 -1.749 1.00 0.00 H ATOM 2070 HD21 ASN A 125 -15.784 13.755 -2.262 1.00 0.00 H ATOM 2071 H ASN A 125 -10.461 12.234 -3.022 1.00 0.00 H ATOM 2072 N ASP A 126 -11.585 9.918 -4.978 1.00 0.47 N ATOM 2073 CA ASP A 126 -11.679 8.922 -6.040 1.00 0.48 C ATOM 2074 C ASP A 126 -11.617 7.517 -5.453 1.00 0.45 C ATOM 2075 O ASP A 126 -12.290 6.602 -5.927 1.00 0.48 O ATOM 2076 CB ASP A 126 -10.560 9.106 -7.069 1.00 0.52 C ATOM 2077 CG ASP A 126 -10.746 8.212 -8.283 1.00 0.76 C ATOM 2078 OD1 ASP A 126 -11.834 8.261 -8.901 1.00 1.44 O ATOM 2079 OD2 ASP A 126 -9.812 7.460 -8.628 1.00 1.43 O ATOM 2080 HA ASP A 126 -12.635 9.058 -6.545 1.00 0.00 H ATOM 2081 HB2 ASP A 126 -10.551 10.146 -7.396 1.00 0.00 H ATOM 2082 HB3 ASP A 126 -9.607 8.866 -6.598 1.00 0.00 H ATOM 2083 H ASP A 126 -10.662 10.346 -4.763 1.00 0.00 H ATOM 2084 N ILE A 127 -10.814 7.354 -4.410 1.00 0.42 N ATOM 2085 CA ILE A 127 -10.671 6.061 -3.755 1.00 0.42 C ATOM 2086 C ILE A 127 -11.960 5.668 -3.041 1.00 0.43 C ATOM 2087 O ILE A 127 -12.488 4.574 -3.252 1.00 0.45 O ATOM 2088 CB ILE A 127 -9.513 6.053 -2.731 1.00 0.42 C ATOM 2089 CG1 ILE A 127 -8.227 6.593 -3.364 1.00 0.44 C ATOM 2090 CG2 ILE A 127 -9.290 4.641 -2.201 1.00 0.47 C ATOM 2091 CD1 ILE A 127 -7.075 6.714 -2.389 1.00 0.46 C ATOM 2092 HA ILE A 127 -10.447 5.340 -4.541 1.00 0.00 H ATOM 2093 HB ILE A 127 -9.784 6.703 -1.899 1.00 0.00 H ATOM 2094 HG12 ILE A 127 -7.929 5.920 -4.168 1.00 0.00 H ATOM 2095 HG13 ILE A 127 -8.434 7.580 -3.777 1.00 0.00 H ATOM 2096 HD11 ILE A 127 -7.352 7.394 -1.584 1.00 0.00 H ATOM 2097 HD12 ILE A 127 -6.847 5.732 -1.975 1.00 0.00 H ATOM 2098 HD13 ILE A 127 -6.200 7.103 -2.909 1.00 0.00 H ATOM 2099 HG21 ILE A 127 -10.200 4.289 -1.715 1.00 0.00 H ATOM 2100 HG22 ILE A 127 -9.039 3.979 -3.030 1.00 0.00 H ATOM 2101 HG23 ILE A 127 -8.472 4.650 -1.481 1.00 0.00 H ATOM 2102 H ILE A 127 -10.274 8.168 -4.052 1.00 0.00 H ATOM 2103 N GLU A 128 -12.479 6.574 -2.218 1.00 0.46 N ATOM 2104 CA GLU A 128 -13.699 6.306 -1.462 1.00 0.51 C ATOM 2105 C GLU A 128 -14.888 6.023 -2.382 1.00 0.52 C ATOM 2106 O GLU A 128 -15.702 5.142 -2.093 1.00 0.55 O ATOM 2107 CB GLU A 128 -14.018 7.464 -0.507 1.00 0.62 C ATOM 2108 CG GLU A 128 -14.152 8.818 -1.183 1.00 1.04 C ATOM 2109 CD GLU A 128 -15.436 9.527 -0.810 1.00 1.37 C ATOM 2110 OE1 GLU A 128 -15.476 10.167 0.259 1.00 2.05 O ATOM 2111 OE2 GLU A 128 -16.410 9.441 -1.582 1.00 1.75 O ATOM 2112 HA GLU A 128 -13.521 5.408 -0.870 1.00 0.00 H ATOM 2113 HB2 GLU A 128 -14.958 7.241 -0.002 1.00 0.00 H ATOM 2114 HB3 GLU A 128 -13.217 7.529 0.230 1.00 0.00 H ATOM 2115 HG2 GLU A 128 -13.309 9.442 -0.887 1.00 0.00 H ATOM 2116 HG3 GLU A 128 -14.133 8.673 -2.263 1.00 0.00 H ATOM 2117 H GLU A 128 -12.006 7.494 -2.110 1.00 0.00 H ATOM 2118 N ARG A 129 -14.979 6.742 -3.499 1.00 0.55 N ATOM 2119 CA ARG A 129 -16.085 6.541 -4.426 1.00 0.64 C ATOM 2120 C ARG A 129 -15.942 5.205 -5.154 1.00 0.59 C ATOM 2121 O ARG A 129 -16.938 4.544 -5.436 1.00 0.62 O ATOM 2122 CB ARG A 129 -16.200 7.702 -5.424 1.00 0.77 C ATOM 2123 CG ARG A 129 -15.112 7.722 -6.483 1.00 1.07 C ATOM 2124 CD ARG A 129 -15.381 8.779 -7.539 1.00 1.55 C ATOM 2125 NE ARG A 129 -15.375 10.123 -6.973 1.00 2.26 N ATOM 2126 CZ ARG A 129 -15.999 11.161 -7.522 1.00 3.05 C ATOM 2127 NH1 ARG A 129 -16.686 11.009 -8.645 1.00 3.37 N ATOM 2128 NH2 ARG A 129 -15.946 12.349 -6.934 1.00 3.98 N ATOM 2129 HA ARG A 129 -17.007 6.517 -3.845 1.00 0.00 H ATOM 2130 HB2 ARG A 129 -17.165 7.628 -5.926 1.00 0.00 H ATOM 2131 HB3 ARG A 129 -16.153 8.638 -4.867 1.00 0.00 H ATOM 2132 HG2 ARG A 129 -14.156 7.934 -6.005 1.00 0.00 H ATOM 2133 HG3 ARG A 129 -15.067 6.745 -6.963 1.00 0.00 H ATOM 2134 HD2 ARG A 129 -16.356 8.589 -7.988 1.00 0.00 H ATOM 2135 HD3 ARG A 129 -14.610 8.716 -8.307 1.00 0.00 H ATOM 2136 HE ARG A 129 -14.852 10.279 -6.088 1.00 0.00 H ATOM 2137 HH12 ARG A 129 -17.173 11.823 -9.071 1.00 0.00 H ATOM 2138 HH11 ARG A 129 -16.739 10.075 -9.100 1.00 0.00 H ATOM 2139 HH22 ARG A 129 -16.433 13.163 -7.361 1.00 0.00 H ATOM 2140 HH21 ARG A 129 -15.417 12.467 -6.046 1.00 0.00 H ATOM 2141 H ARG A 129 -14.253 7.455 -3.712 1.00 0.00 H ATOM 2142 N SER A 130 -14.706 4.792 -5.428 1.00 0.56 N ATOM 2143 CA SER A 130 -14.467 3.527 -6.113 1.00 0.57 C ATOM 2144 C SER A 130 -14.924 2.360 -5.241 1.00 0.54 C ATOM 2145 O SER A 130 -15.497 1.385 -5.733 1.00 0.60 O ATOM 2146 CB SER A 130 -12.984 3.379 -6.471 1.00 0.58 C ATOM 2147 OG SER A 130 -12.577 4.389 -7.383 1.00 0.70 O ATOM 2148 HA SER A 130 -15.044 3.519 -7.037 1.00 0.00 H ATOM 2149 HB2 SER A 130 -12.823 2.402 -6.926 1.00 0.00 H ATOM 2150 HB3 SER A 130 -12.388 3.458 -5.562 1.00 0.00 H ATOM 2151 HG SER A 130 -12.718 5.279 -6.973 1.00 0.00 H ATOM 2152 H SER A 130 -13.897 5.382 -5.148 1.00 0.00 H ATOM 2153 N LEU A 131 -14.684 2.481 -3.937 1.00 0.49 N ATOM 2154 CA LEU A 131 -15.079 1.448 -2.985 1.00 0.50 C ATOM 2155 C LEU A 131 -16.600 1.347 -2.928 1.00 0.52 C ATOM 2156 O LEU A 131 -17.163 0.253 -2.873 1.00 0.56 O ATOM 2157 CB LEU A 131 -14.524 1.754 -1.587 1.00 0.52 C ATOM 2158 CG LEU A 131 -13.008 1.958 -1.509 1.00 0.83 C ATOM 2159 CD1 LEU A 131 -12.602 2.423 -0.119 1.00 1.28 C ATOM 2160 CD2 LEU A 131 -12.272 0.679 -1.880 1.00 1.33 C ATOM 2161 HA LEU A 131 -14.666 0.496 -3.320 1.00 0.00 H ATOM 2162 HB2 LEU A 131 -15.004 2.664 -1.226 1.00 0.00 H ATOM 2163 HB3 LEU A 131 -14.785 0.923 -0.932 1.00 0.00 H ATOM 2164 HG LEU A 131 -12.731 2.731 -2.226 1.00 0.00 H ATOM 2165 HD21 LEU A 131 -12.557 -0.116 -1.190 1.00 0.00 H ATOM 2166 HD22 LEU A 131 -12.537 0.391 -2.897 1.00 0.00 H ATOM 2167 HD23 LEU A 131 -11.197 0.849 -1.817 1.00 0.00 H ATOM 2168 HD11 LEU A 131 -13.098 3.367 0.106 1.00 0.00 H ATOM 2169 HD12 LEU A 131 -12.896 1.672 0.614 1.00 0.00 H ATOM 2170 HD13 LEU A 131 -11.521 2.562 -0.085 1.00 0.00 H ATOM 2171 H LEU A 131 -14.202 3.334 -3.588 1.00 0.00 H ATOM 2172 N ALA A 132 -17.257 2.500 -2.963 1.00 0.56 N ATOM 2173 CA ALA A 132 -18.710 2.557 -2.920 1.00 0.62 C ATOM 2174 C ALA A 132 -19.318 2.090 -4.241 1.00 0.64 C ATOM 2175 O ALA A 132 -20.388 1.482 -4.259 1.00 0.69 O ATOM 2176 CB ALA A 132 -19.169 3.969 -2.586 1.00 0.68 C ATOM 2177 HA ALA A 132 -19.057 1.882 -2.138 1.00 0.00 H ATOM 2178 HB1 ALA A 132 -18.770 4.259 -1.614 1.00 0.00 H ATOM 2179 HB2 ALA A 132 -18.806 4.658 -3.349 1.00 0.00 H ATOM 2180 HB3 ALA A 132 -20.258 3.998 -2.557 1.00 0.00 H ATOM 2181 H ALA A 132 -16.718 3.387 -3.023 1.00 0.00 H ATOM 2182 N ALA A 133 -18.628 2.374 -5.341 1.00 0.66 N ATOM 2183 CA ALA A 133 -19.088 1.980 -6.670 1.00 0.73 C ATOM 2184 C ALA A 133 -19.172 0.463 -6.795 1.00 0.73 C ATOM 2185 O ALA A 133 -20.095 -0.071 -7.410 1.00 0.84 O ATOM 2186 CB ALA A 133 -18.161 2.547 -7.736 1.00 0.84 C ATOM 2187 HA ALA A 133 -20.089 2.386 -6.817 1.00 0.00 H ATOM 2188 HB1 ALA A 133 -18.154 3.635 -7.668 1.00 0.00 H ATOM 2189 HB2 ALA A 133 -17.152 2.165 -7.579 1.00 0.00 H ATOM 2190 HB3 ALA A 133 -18.516 2.246 -8.722 1.00 0.00 H ATOM 2191 H ALA A 133 -17.731 2.894 -5.252 1.00 0.00 H ATOM 2192 N ALA A 134 -18.217 -0.226 -6.183 1.00 0.68 N ATOM 2193 CA ALA A 134 -18.179 -1.680 -6.223 1.00 0.74 C ATOM 2194 C ALA A 134 -19.299 -2.277 -5.376 1.00 0.84 C ATOM 2195 O ALA A 134 -19.643 -3.450 -5.518 1.00 1.12 O ATOM 2196 CB ALA A 134 -16.823 -2.182 -5.748 1.00 0.72 C ATOM 2197 HA ALA A 134 -18.330 -2.001 -7.254 1.00 0.00 H ATOM 2198 HB1 ALA A 134 -16.042 -1.786 -6.397 1.00 0.00 H ATOM 2199 HB2 ALA A 134 -16.651 -1.847 -4.725 1.00 0.00 H ATOM 2200 HB3 ALA A 134 -16.808 -3.271 -5.783 1.00 0.00 H ATOM 2201 H ALA A 134 -17.477 0.286 -5.662 1.00 0.00 H ATOM 2202 N LEU A 135 -19.871 -1.460 -4.500 1.00 0.73 N ATOM 2203 CA LEU A 135 -20.953 -1.906 -3.634 1.00 0.91 C ATOM 2204 C LEU A 135 -22.306 -1.630 -4.282 1.00 1.26 C ATOM 2205 O LEU A 135 -23.353 -1.964 -3.727 1.00 1.57 O ATOM 2206 CB LEU A 135 -20.873 -1.216 -2.269 1.00 2.01 C ATOM 2207 CG LEU A 135 -19.546 -1.390 -1.523 1.00 2.93 C ATOM 2208 CD1 LEU A 135 -19.578 -0.644 -0.197 1.00 4.04 C ATOM 2209 CD2 LEU A 135 -19.245 -2.867 -1.301 1.00 3.38 C ATOM 2210 HA LEU A 135 -20.848 -2.981 -3.487 1.00 0.00 H ATOM 2211 HB2 LEU A 135 -21.037 -0.149 -2.421 1.00 0.00 H ATOM 2212 HB3 LEU A 135 -21.668 -1.619 -1.641 1.00 0.00 H ATOM 2213 HG LEU A 135 -18.749 -0.968 -2.135 1.00 0.00 H ATOM 2214 HD21 LEU A 135 -20.044 -3.315 -0.710 1.00 0.00 H ATOM 2215 HD22 LEU A 135 -19.178 -3.372 -2.265 1.00 0.00 H ATOM 2216 HD23 LEU A 135 -18.299 -2.968 -0.770 1.00 0.00 H ATOM 2217 HD11 LEU A 135 -19.744 0.417 -0.383 1.00 0.00 H ATOM 2218 HD12 LEU A 135 -20.386 -1.037 0.420 1.00 0.00 H ATOM 2219 HD13 LEU A 135 -18.627 -0.780 0.318 1.00 0.00 H ATOM 2220 H LEU A 135 -19.538 -0.477 -4.431 1.00 0.00 H ATOM 2221 N GLU A 136 -22.274 -1.033 -5.468 1.00 2.14 N ATOM 2222 CA GLU A 136 -23.491 -0.714 -6.203 1.00 3.37 C ATOM 2223 C GLU A 136 -23.993 -1.933 -6.971 1.00 4.00 C ATOM 2224 O GLU A 136 -24.962 -1.847 -7.724 1.00 5.01 O ATOM 2225 CB GLU A 136 -23.252 0.450 -7.164 1.00 4.37 C ATOM 2226 CG GLU A 136 -22.989 1.773 -6.469 1.00 4.99 C ATOM 2227 CD GLU A 136 -23.078 2.955 -7.415 1.00 5.94 C ATOM 2228 OE1 GLU A 136 -22.056 3.305 -8.043 1.00 6.64 O ATOM 2229 OE2 GLU A 136 -24.173 3.544 -7.534 1.00 6.28 O ATOM 2230 HA GLU A 136 -24.253 -0.419 -5.481 1.00 0.00 H ATOM 2231 HB2 GLU A 136 -22.390 0.211 -7.786 1.00 0.00 H ATOM 2232 HB3 GLU A 136 -24.134 0.562 -7.795 1.00 0.00 H ATOM 2233 HG2 GLU A 136 -23.725 1.904 -5.676 1.00 0.00 H ATOM 2234 HG3 GLU A 136 -21.990 1.747 -6.035 1.00 0.00 H ATOM 2235 H GLU A 136 -21.353 -0.786 -5.884 1.00 0.00 H ATOM 2236 N HIS A 137 -23.319 -3.062 -6.764 1.00 3.80 N ATOM 2237 CA HIS A 137 -23.674 -4.332 -7.403 1.00 4.84 C ATOM 2238 C HIS A 137 -23.500 -4.253 -8.911 1.00 4.89 C ATOM 2239 O HIS A 137 -24.513 -4.157 -9.630 1.00 5.24 O ATOM 2240 CB HIS A 137 -25.112 -4.751 -7.052 1.00 5.45 C ATOM 2241 CG HIS A 137 -25.383 -4.813 -5.586 1.00 6.36 C ATOM 2242 ND1 HIS A 137 -24.515 -5.385 -4.684 1.00 7.10 N ATOM 2243 CD2 HIS A 137 -26.428 -4.351 -4.864 1.00 6.97 C ATOM 2244 CE1 HIS A 137 -25.012 -5.267 -3.469 1.00 8.00 C ATOM 2245 NE2 HIS A 137 -26.171 -4.644 -3.550 1.00 7.94 N ATOM 2246 HA HIS A 137 -22.994 -5.092 -7.018 1.00 0.00 H ATOM 2247 HB2 HIS A 137 -25.798 -4.031 -7.498 1.00 0.00 H ATOM 2248 HB3 HIS A 137 -25.296 -5.738 -7.477 1.00 0.00 H ATOM 2249 HD2 HIS A 137 -27.309 -3.841 -5.253 1.00 0.00 H ATOM 2250 HE1 HIS A 137 -24.544 -5.624 -2.552 1.00 0.00 H ATOM 2251 H HIS A 137 -22.503 -3.042 -6.119 1.00 0.00 H TER 2252 HIS A 137 HETATM 2253 N PRO A 1 1.768 -12.418 13.601 1.00 0.25 N HETATM 2254 CA PRO A 1 1.762 -11.376 14.657 1.00 0.07 C HETATM 2255 C PRO A 1 0.661 -10.333 14.449 1.00 0.23 C HETATM 2256 O PRO A 1 0.323 -9.603 15.383 1.00 -0.39 O HETATM 2257 N PRO A 1 0.118 -10.259 13.230 1.00 -0.26 N HETATM 2258 CA PRO A 1 -0.965 -9.328 12.893 1.00 0.15 C HETATM 2259 C PRO A 1 -0.484 -7.876 12.806 1.00 0.21 C HETATM 2260 O PRO A 1 0.078 -7.320 13.753 1.00 -0.39 O HETATM 2261 N PRO A 1 -0.726 -7.261 11.657 1.00 -0.26 N HETATM 2262 CA PRO A 1 -0.327 -5.878 11.416 1.00 0.14 C HETATM 2263 C PRO A 1 -1.547 -4.965 11.340 1.00 0.21 C HETATM 2264 O PRO A 1 -2.481 -5.238 10.581 1.00 -0.39 O HETATM 2265 N PRO A 1 -1.535 -3.884 12.112 1.00 -0.26 N HETATM 2266 CA PRO A 1 -2.631 -2.931 12.099 1.00 0.16 C HETATM 2267 CB PRO A 1 -3.350 -2.934 13.445 1.00 0.12 C HETATM 2268 OG PRO A 1 -4.740 -2.650 13.293 1.00 -0.27 O HETATM 2269 P PRO A 1 -5.377 -1.343 13.973 1.00 0.20 P HETATM 2270 O1P PRO A 1 -4.597 -0.205 13.482 1.00 -0.55 O HETATM 2271 O2P PRO A 1 -5.334 -1.300 15.448 1.00 -0.55 O HETATM 2272 O3P PRO A 1 -6.802 -1.075 13.650 1.00 -0.55 O HETATM 2273 H26 PRO A 1 -2.897 -2.170 14.094 1.00 0.07 H HETATM 2274 H27 PRO A 1 -3.236 -3.925 13.910 1.00 0.07 H HETATM 2275 C PRO A 1 -2.071 -1.551 11.789 1.00 0.21 C HETATM 2276 O PRO A 1 -0.961 -1.246 12.203 1.00 -0.39 O HETATM 2277 N PRO A 1 -2.814 -0.714 11.040 1.00 -0.25 N HETATM 2278 CA PRO A 1 -2.372 0.643 10.660 1.00 0.13 C HETATM 2279 C PRO A 1 -1.873 1.495 11.829 1.00 0.20 C HETATM 2280 O PRO A 1 -0.966 2.312 11.661 1.00 -0.39 O HETATM 2281 N PRO A 1 -2.458 1.310 13.004 1.00 -0.26 N HETATM 2282 CA PRO A 1 -2.053 2.076 14.176 1.00 0.16 C HETATM 2283 C PRO A 1 -0.746 1.541 14.770 1.00 0.21 C HETATM 2284 O PRO A 1 -0.092 2.216 15.564 1.00 -0.39 O HETATM 2285 N PRO A 1 -0.358 0.336 14.366 1.00 -0.26 N HETATM 2286 CA PRO A 1 0.868 -0.283 14.856 1.00 0.15 C HETATM 2287 C PRO A 1 1.713 -0.776 13.680 1.00 0.21 C HETATM 2288 O PRO A 1 1.705 -1.965 13.343 1.00 -0.39 O HETATM 2289 N PRO A 1 2.425 0.148 13.022 1.00 -0.25 N HETATM 2290 CA PRO A 1 3.264 -0.158 11.871 1.00 0.13 C HETATM 2291 C PRO A 1 4.678 -0.605 12.246 1.00 0.20 C HETATM 2292 O PRO A 1 5.272 -1.440 11.566 1.00 -0.39 O HETATM 2293 N PRO A 1 5.225 -0.047 13.315 1.00 -0.27 N HETATM 2294 CA PRO A 1 6.572 -0.395 13.742 1.00 0.12 C HETATM 2295 C PRO A 1 6.557 -0.912 15.172 1.00 0.06 C HETATM 2296 O PRO A 1 6.613 -2.143 15.358 1.00 -0.57 O HETATM 2297 OXT PRO A 1 6.484 -0.083 16.100 1.00 -0.57 O HETATM 2298 CB PRO A 1 7.492 0.823 13.629 1.00 0.08 C HETATM 2299 OG PRO A 1 7.261 1.520 12.413 1.00 -0.39 O HETATM 2300 H58 PRO A 1 7.429 0.940 11.680 1.00 0.21 H HETATM 2301 H56 PRO A 1 8.539 0.488 13.659 1.00 0.06 H HETATM 2302 H57 PRO A 1 7.299 1.500 14.475 1.00 0.06 H HETATM 2303 H55 PRO A 1 6.956 -1.189 13.085 1.00 0.07 H HETATM 2304 H54 PRO A 1 4.703 0.626 13.839 1.00 0.19 H HETATM 2305 CB PRO A 1 3.314 1.174 11.102 1.00 -0.01 C HETATM 2306 CG PRO A 1 2.594 2.180 11.950 1.00 -0.03 C HETATM 2307 CD PRO A 1 2.449 1.576 13.318 1.00 0.04 C HETATM 2308 H52 PRO A 1 3.303 1.836 13.961 1.00 0.05 H HETATM 2309 H53 PRO A 1 1.515 1.899 13.800 1.00 0.05 H HETATM 2310 H50 PRO A 1 1.603 2.393 11.524 1.00 0.03 H HETATM 2311 H51 PRO A 1 3.176 3.111 12.008 1.00 0.03 H HETATM 2312 H48 PRO A 1 2.814 1.070 10.128 1.00 0.03 H HETATM 2313 H49 PRO A 1 4.358 1.485 10.947 1.00 0.03 H HETATM 2314 H47 PRO A 1 2.795 -0.944 11.260 1.00 0.08 H HETATM 2315 CB PRO A 1 0.534 -1.441 15.803 1.00 0.08 C HETATM 2316 OG PRO A 1 -0.343 -1.014 16.838 1.00 -0.39 O HETATM 2317 H46 PRO A 1 -0.535 -1.747 17.411 1.00 0.21 H HETATM 2318 H44 PRO A 1 1.464 -1.819 16.252 1.00 0.06 H HETATM 2319 H45 PRO A 1 0.050 -2.246 15.231 1.00 0.06 H HETATM 2320 H43 PRO A 1 1.446 0.470 15.412 1.00 0.08 H HETATM 2321 H42 PRO A 1 -0.923 -0.161 13.707 1.00 0.19 H HETATM 2322 CB PRO A 1 -3.152 2.070 15.258 1.00 0.09 C HETATM 2323 OG1 PRO A 1 -4.450 2.059 14.643 1.00 -0.39 O HETATM 2324 H38 PRO A 1 -4.537 1.281 14.105 1.00 0.21 H HETATM 2325 CG2 PRO A 1 -3.035 3.292 16.157 1.00 -0.03 C HETATM 2326 H39 PRO A 1 -3.828 3.264 16.919 1.00 0.03 H HETATM 2327 H40 PRO A 1 -3.140 4.204 15.551 1.00 0.03 H HETATM 2328 H41 PRO A 1 -2.052 3.291 16.651 1.00 0.03 H HETATM 2329 H37 PRO A 1 -3.038 1.164 15.872 1.00 0.06 H HETATM 2330 H36 PRO A 1 -1.887 3.116 13.859 1.00 0.08 H HETATM 2331 H35 PRO A 1 -3.190 0.633 13.088 1.00 0.19 H HETATM 2332 CB PRO A 1 -3.630 1.267 10.057 1.00 -0.01 C HETATM 2333 CG PRO A 1 -4.398 0.110 9.526 1.00 -0.03 C HETATM 2334 CD PRO A 1 -4.142 -1.027 10.476 1.00 0.04 C HETATM 2335 H33 PRO A 1 -4.907 -1.059 11.266 1.00 0.05 H HETATM 2336 H34 PRO A 1 -4.126 -1.989 9.942 1.00 0.05 H HETATM 2337 H31 PRO A 1 -4.049 -0.150 8.516 1.00 0.03 H HETATM 2338 H32 PRO A 1 -5.472 0.346 9.493 1.00 0.03 H HETATM 2339 H29 PRO A 1 -3.369 1.965 9.248 1.00 0.03 H HETATM 2340 H30 PRO A 1 -4.209 1.798 10.827 1.00 0.03 H HETATM 2341 H28 PRO A 1 -1.571 0.578 9.909 1.00 0.08 H HETATM 2342 H25 PRO A 1 -3.348 -3.214 11.314 1.00 0.08 H HETATM 2343 H24 PRO A 1 -0.754 -3.723 12.716 1.00 0.19 H HETATM 2344 CB PRO A 1 0.462 -5.795 10.102 1.00 0.02 C HETATM 2345 CG PRO A 1 0.840 -4.387 9.679 1.00 -0.05 C HETATM 2346 CD1 PRO A 1 -0.036 -3.594 8.941 1.00 -0.07 C HETATM 2347 CE1 PRO A 1 0.314 -2.317 8.548 1.00 -0.04 C HETATM 2348 CZ PRO A 1 1.548 -1.813 8.889 1.00 0.08 C HETATM 2349 CE2 PRO A 1 2.435 -2.581 9.617 1.00 -0.04 C HETATM 2350 CD2 PRO A 1 2.077 -3.857 10.008 1.00 -0.07 C HETATM 2351 H20 PRO A 1 2.776 -4.454 10.582 1.00 0.05 H HETATM 2352 H22 PRO A 1 3.409 -2.184 9.881 1.00 0.05 H HETATM 2353 OH PRO A 1 1.901 -0.543 8.497 1.00 -0.34 O HETATM 2354 H23 PRO A 1 1.185 -0.153 8.009 1.00 0.25 H HETATM 2355 H21 PRO A 1 -0.380 -1.715 7.973 1.00 0.05 H HETATM 2356 H19 PRO A 1 -1.010 -3.986 8.670 1.00 0.05 H HETATM 2357 H17 PRO A 1 -0.152 -6.239 9.305 1.00 0.05 H HETATM 2358 H18 PRO A 1 1.387 -6.378 10.220 1.00 0.05 H HETATM 2359 H16 PRO A 1 0.316 -5.544 12.244 1.00 0.08 H HETATM 2360 H15 PRO A 1 -1.198 -7.761 10.931 1.00 0.19 H HETATM 2361 CB PRO A 1 -2.123 -9.455 13.893 1.00 0.08 C HETATM 2362 OG PRO A 1 -2.612 -10.789 13.936 1.00 -0.39 O HETATM 2363 H14 PRO A 1 -3.326 -10.843 14.560 1.00 0.21 H HETATM 2364 H12 PRO A 1 -2.938 -8.782 13.588 1.00 0.06 H HETATM 2365 H13 PRO A 1 -1.767 -9.169 14.894 1.00 0.06 H HETATM 2366 H11 PRO A 1 -1.345 -9.610 11.900 1.00 0.08 H HETATM 2367 H10 PRO A 1 0.466 -10.866 12.515 1.00 0.19 H HETATM 2368 CB PRO A 1 3.124 -10.724 14.693 1.00 0.01 C HETATM 2369 CG PRO A 1 4.000 -11.808 14.185 1.00 -0.01 C HETATM 2370 CD PRO A 1 3.178 -12.561 13.158 1.00 -0.03 C HETATM 2371 H8 PRO A 1 3.314 -12.122 12.159 1.00 0.08 H HETATM 2372 H9 PRO A 1 3.469 -13.622 13.135 1.00 0.08 H HETATM 2373 H6 PRO A 1 4.294 -12.479 15.006 1.00 0.03 H HETATM 2374 H7 PRO A 1 4.901 -11.384 13.717 1.00 0.03 H HETATM 2375 H4 PRO A 1 3.401 -10.434 15.717 1.00 0.03 H HETATM 2376 H5 PRO A 1 3.161 -9.841 14.039 1.00 0.03 H HETATM 2377 H3 PRO A 1 1.582 -11.867 15.625 1.00 0.11 H HETATM 2378 H1 PRO A 1 1.187 -12.134 12.828 1.00 0.20 H HETATM 2379 H2 PRO A 1 1.429 -13.292 13.972 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 2253 2254 2370 2378 2379 CONECT 2254 2253 2255 2368 2377 CONECT 2255 2254 2256 2257 CONECT 2256 2255 CONECT 2257 2255 2258 2367 CONECT 2258 2257 2259 2361 2366 CONECT 2259 2258 2260 2261 CONECT 2260 2259 CONECT 2261 2259 2262 2360 CONECT 2262 2261 2263 2344 2359 CONECT 2263 2262 2264 2265 CONECT 2264 2263 CONECT 2265 2263 2266 2343 CONECT 2266 2265 2267 2275 2342 CONECT 2267 2266 2268 2273 2274 CONECT 2268 2267 2269 CONECT 2269 2268 2270 2271 2272 CONECT 2270 2269 CONECT 2271 2269 CONECT 2272 2269 CONECT 2273 2267 CONECT 2274 2267 CONECT 2275 2266 2276 2277 CONECT 2276 2275 CONECT 2277 2275 2278 2334 CONECT 2278 2277 2279 2332 2341 CONECT 2279 2278 2280 2281 CONECT 2280 2279 CONECT 2281 2279 2282 2331 CONECT 2282 2281 2283 2322 2330 CONECT 2283 2282 2284 2285 CONECT 2284 2283 CONECT 2285 2283 2286 2321 CONECT 2286 2285 2287 2315 2320 CONECT 2287 2286 2288 2289 CONECT 2288 2287 CONECT 2289 2287 2290 2307 CONECT 2290 2289 2291 2305 2314 CONECT 2291 2290 2292 2293 CONECT 2292 2291 CONECT 2293 2291 2294 2304 CONECT 2294 2293 2295 2298 2303 CONECT 2295 2294 2296 2297 CONECT 2296 2295 CONECT 2297 2295 CONECT 2298 2294 2299 2301 2302 CONECT 2299 2298 2300 CONECT 2300 2299 CONECT 2301 2298 CONECT 2302 2298 CONECT 2303 2294 CONECT 2304 2293 CONECT 2305 2290 2306 2312 2313 CONECT 2306 2305 2307 2310 2311 CONECT 2307 2289 2306 2308 2309 CONECT 2308 2307 CONECT 2309 2307 CONECT 2310 2306 CONECT 2311 2306 CONECT 2312 2305 CONECT 2313 2305 CONECT 2314 2290 CONECT 2315 2286 2316 2318 2319 CONECT 2316 2315 2317 CONECT 2317 2316 CONECT 2318 2315 CONECT 2319 2315 CONECT 2320 2286 CONECT 2321 2285 CONECT 2322 2282 2323 2325 2329 CONECT 2323 2322 2324 CONECT 2324 2323 CONECT 2325 2322 2326 2327 2328 CONECT 2326 2325 CONECT 2327 2325 CONECT 2328 2325 CONECT 2329 2322 CONECT 2330 2282 CONECT 2331 2281 CONECT 2332 2278 2333 2339 2340 CONECT 2333 2332 2334 2337 2338 CONECT 2334 2277 2333 2335 2336 CONECT 2335 2334 CONECT 2336 2334 CONECT 2337 2333 CONECT 2338 2333 CONECT 2339 2332 CONECT 2340 2332 CONECT 2341 2278 CONECT 2342 2266 CONECT 2343 2265 CONECT 2344 2262 2345 2357 2358 CONECT 2345 2344 2346 2350 CONECT 2346 2345 2347 2356 CONECT 2347 2346 2348 2355 CONECT 2348 2347 2349 2353 CONECT 2349 2348 2350 2352 CONECT 2350 2345 2349 2351 CONECT 2351 2350 CONECT 2352 2349 CONECT 2353 2348 2354 CONECT 2354 2353 CONECT 2355 2347 CONECT 2356 2346 CONECT 2357 2344 CONECT 2358 2344 CONECT 2359 2262 CONECT 2360 2261 CONECT 2361 2258 2362 2364 2365 CONECT 2362 2361 2363 CONECT 2363 2362 CONECT 2364 2361 CONECT 2365 2361 CONECT 2366 2258 CONECT 2367 2257 CONECT 2368 2254 2369 2375 2376 CONECT 2369 2368 2370 2373 2374 CONECT 2370 2253 2369 2371 2372 CONECT 2371 2370 CONECT 2372 2370 CONECT 2373 2369 CONECT 2374 2369 CONECT 2375 2368 CONECT 2376 2368 CONECT 2377 2254 CONECT 2378 2253 CONECT 2379 2253 MASTER 0 0 0 0 0 0 0 0 2378 1 131 11 END
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Entry Information
PDB ID
2l0i
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Rtt103 CTD-interacting domain
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=15uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Nat.Struct.Mol.Biol. Vol. 17: pp. 1195-1201
Ligand Properties
Formula
C
4
0
H
6
2
N
9
O
1
9
P
Molecular Weight
1003.940
Exact Mass
1003.390
No. of atoms
131
No. of bonds
134
Polar Surface Area
453.79
LOGP Value
-7.74 (
Computed with XLOGP3
)
-4.54 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 35
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 4
Canonical SMILES
OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CO)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)CO)COP(O)(O)O
InChI String
InChI=1S/C40H62N9O19P/c1-20(53)31(37(60)44-26(17-51)38(61)48-13-3-6-29(48)35(58)45-27(18-52)40(63)64)47-36(59)30-7-4-14-49(30)39(62)28(19-68-69(65,66)67)46-33(56)24(15-21-8-10-22(54)11-9-21)42-34(57)25(16-50)43-32(55)23-5-2-12-41-23/h8-11,20,23-31,41,50-54,65-67,69H,2-7,12-19H2,1H3,(H,42,57)(H,43,55)(H,44,60)(H,45,58)(H,46,56)(H,47,59)(H,63,64)/p+1/t20-,23+,24+,25+,26+,27+,28+,29+,30+,31+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q05543
P04050
Entrez Gene ID
NCBI Entrez Gene ID:
851884
851415
ASD
Information of known allosteric effects of PDB entries
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