Browse entries in the PDBbind-CN Database
HEADER 5B6C_COMPLEX COMPND 5B6C_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 174 GLY SER ASN ARG PRO ASN ARG LEU ILE VAL ASP GLU ALA SEQRES 2 A 174 ILE ASN GLU ASP ASN SER VAL VAL SER LEU SER GLN PRO SEQRES 3 A 174 LYS MET ASP GLU LEU GLN LEU PHE ARG GLY ASP THR VAL SEQRES 4 A 174 LEU LEU LYS GLY LYS LYS ARG ARG GLU ALA VAL CYS ILE SEQRES 5 A 174 VAL LEU SER ASP ASP THR CYS SER ASP GLU LYS ILE ARG SEQRES 6 A 174 MET ASN ARG VAL VAL ARG ASN ASN LEU ARG VAL ARG LEU SEQRES 7 A 174 GLY ASP VAL ILE SER ILE GLN PRO CYS PRO ASP VAL LYS SEQRES 8 A 174 TYR GLY LYS ARG ILE HIS VAL LEU PRO ILE ASP ASP THR SEQRES 9 A 174 VAL GLU GLY ILE THR GLY ASN LEU PHE GLU VAL TYR LEU SEQRES 10 A 174 LYS PRO TYR PHE LEU GLU ALA TYR ARG PRO ILE ARG LYS SEQRES 11 A 174 GLY ASP ILE PHE LEU VAL ARG GLY GLY MET ARG ALA VAL SEQRES 12 A 174 GLU PHE LYS VAL VAL GLU THR ASP PRO SER PRO TYR CYS SEQRES 13 A 174 ILE VAL ALA PRO ASP THR VAL ILE HIS CYS GLU GLY GLU SEQRES 14 A 174 PRO ILE LYS ARG ALA HET PHE A 449 170 ATOM 1 N GLY A 19 22.584 32.343 7.435 1.00 27.86 N ATOM 2 CA GLY A 19 21.658 31.757 6.400 1.00 29.04 C ATOM 3 C GLY A 19 22.429 31.231 5.195 1.00 26.98 C ATOM 4 O GLY A 19 23.561 31.688 4.921 1.00 30.62 O ATOM 5 HN3 GLY A 19 23.117 33.131 7.015 1.00 0.00 H ATOM 6 HN2 GLY A 19 23.246 31.610 7.761 1.00 0.00 H ATOM 7 HN1 GLY A 19 22.026 32.691 8.241 1.00 0.00 H ATOM 8 N SER A 20 21.863 30.217 4.513 1.00 26.20 N ATOM 9 CA SER A 20 22.534 29.635 3.287 1.00 23.41 C ATOM 10 C SER A 20 22.607 30.631 2.090 1.00 25.22 C ATOM 11 O SER A 20 23.480 30.468 1.215 1.00 28.54 O ATOM 12 CB SER A 20 21.789 28.369 2.795 1.00 22.39 C ATOM 13 OG SER A 20 20.516 28.849 2.262 1.00 21.39 O ATOM 14 HG SER A 20 19.988 28.081 1.928 1.00 0.00 H ATOM 15 H SER A 20 20.953 29.829 4.833 1.00 0.00 H ATOM 16 N ASN A 21 21.736 31.674 2.078 1.00 27.46 N ATOM 17 CA ASN A 21 21.581 32.652 0.961 1.00 28.48 C ATOM 18 C ASN A 21 21.009 32.157 -0.382 1.00 29.44 C ATOM 19 O ASN A 21 20.890 32.908 -1.378 1.00 36.35 O ATOM 20 CB ASN A 21 22.889 33.456 0.808 1.00 32.14 C ATOM 21 CG ASN A 21 23.310 34.081 2.152 1.00 36.88 C ATOM 22 OD1 ASN A 21 22.442 34.589 2.876 1.00 39.47 O ATOM 23 ND2 ASN A 21 24.610 34.002 2.516 1.00 38.82 N ATOM 24 HD22 ASN A 21 25.304 33.567 1.875 1.00 0.00 H ATOM 25 HD21 ASN A 21 24.916 34.377 3.437 1.00 0.00 H ATOM 26 H ASN A 21 21.129 31.801 2.913 1.00 0.00 H ATOM 27 N ARG A 22 20.524 30.925 -0.375 1.00 21.14 N ATOM 28 CA ARG A 22 20.170 30.260 -1.619 1.00 18.43 C ATOM 29 C ARG A 22 18.631 30.335 -1.856 1.00 14.32 C ATOM 30 O ARG A 22 17.879 30.445 -0.880 1.00 16.99 O ATOM 31 CB ARG A 22 20.570 28.808 -1.512 1.00 17.68 C ATOM 32 CG ARG A 22 22.101 28.543 -1.432 1.00 18.71 C ATOM 33 CD ARG A 22 22.834 29.003 -2.687 1.00 17.78 C ATOM 34 NE ARG A 22 22.257 28.382 -3.849 1.00 17.80 N ATOM 35 CZ ARG A 22 22.300 28.792 -5.086 1.00 17.53 C ATOM 36 NH1 ARG A 22 22.956 29.925 -5.378 1.00 20.21 N ATOM 37 NH2 ARG A 22 21.647 28.162 -6.022 1.00 20.41 N ATOM 38 HE ARG A 22 21.741 27.495 -3.682 1.00 0.00 H ATOM 39 HH12 ARG A 22 22.998 30.263 -6.361 1.00 0.00 H ATOM 40 HH11 ARG A 22 23.423 30.465 -4.622 1.00 0.00 H ATOM 41 HH22 ARG A 22 21.691 28.500 -7.004 1.00 0.00 H ATOM 42 HH21 ARG A 22 21.083 27.321 -5.786 1.00 0.00 H ATOM 43 H ARG A 22 20.395 30.428 0.529 1.00 0.00 H ATOM 44 N PRO A 23 18.234 30.253 -3.100 1.00 14.37 N ATOM 45 CA PRO A 23 16.786 30.216 -3.375 1.00 12.94 C ATOM 46 C PRO A 23 16.190 29.020 -2.650 1.00 11.17 C ATOM 47 O PRO A 23 16.752 27.887 -2.725 1.00 11.81 O ATOM 48 CB PRO A 23 16.694 30.103 -4.879 1.00 15.50 C ATOM 49 CG PRO A 23 17.990 30.782 -5.351 1.00 16.38 C ATOM 50 CD PRO A 23 19.031 30.392 -4.333 1.00 14.60 C ATOM 51 N ASN A 24 15.021 29.219 -2.065 1.00 11.10 N ATOM 52 CA ASN A 24 14.419 28.242 -1.110 1.00 11.70 C ATOM 53 C ASN A 24 13.023 27.804 -1.520 1.00 10.41 C ATOM 54 O ASN A 24 12.337 27.181 -0.700 1.00 11.49 O ATOM 55 CB ASN A 24 14.406 28.769 0.321 1.00 12.36 C ATOM 56 CG ASN A 24 13.482 29.937 0.507 1.00 14.65 C ATOM 57 OD1 ASN A 24 12.915 30.504 -0.402 1.00 17.01 O ATOM 58 ND2 ASN A 24 13.381 30.358 1.732 1.00 19.15 N ATOM 59 HD22 ASN A 24 13.876 29.856 2.497 1.00 0.00 H ATOM 60 HD21 ASN A 24 12.805 31.197 1.948 1.00 0.00 H ATOM 61 H ASN A 24 14.499 30.093 -2.279 1.00 0.00 H ATOM 62 N ARG A 25 12.688 27.894 -2.818 1.00 10.47 N ATOM 63 CA ARG A 25 11.434 27.457 -3.372 1.00 10.39 C ATOM 64 C ARG A 25 11.655 26.039 -3.929 1.00 10.21 C ATOM 65 O ARG A 25 12.689 25.724 -4.526 1.00 12.07 O ATOM 66 CB ARG A 25 10.883 28.422 -4.437 1.00 10.89 C ATOM 67 CG ARG A 25 10.436 29.712 -3.738 1.00 12.56 C ATOM 68 CD ARG A 25 8.978 29.834 -3.646 1.00 12.20 C ATOM 69 NE ARG A 25 8.548 30.937 -2.774 1.00 12.42 N ATOM 70 CZ ARG A 25 8.614 32.231 -3.132 1.00 11.34 C ATOM 71 NH1 ARG A 25 8.945 32.647 -4.321 1.00 10.30 N ATOM 72 NH2 ARG A 25 8.290 33.131 -2.203 1.00 11.79 N ATOM 73 HE ARG A 25 8.174 30.704 -1.832 1.00 0.00 H ATOM 74 HH12 ARG A 25 8.975 33.666 -4.526 1.00 0.00 H ATOM 75 HH11 ARG A 25 9.180 31.960 -5.066 1.00 0.00 H ATOM 76 HH22 ARG A 25 8.324 34.146 -2.428 1.00 0.00 H ATOM 77 HH21 ARG A 25 8.003 32.818 -1.254 1.00 0.00 H ATOM 78 H ARG A 25 13.385 28.309 -3.469 1.00 0.00 H ATOM 79 N LEU A 26 10.648 25.194 -3.720 1.00 10.24 N ATOM 80 CA LEU A 26 10.617 23.817 -4.178 1.00 9.57 C ATOM 81 C LEU A 26 9.233 23.436 -4.751 1.00 9.19 C ATOM 82 O LEU A 26 8.244 24.020 -4.366 1.00 9.81 O ATOM 83 CB LEU A 26 10.975 22.870 -3.034 1.00 10.09 C ATOM 84 CG LEU A 26 12.440 22.983 -2.492 1.00 10.95 C ATOM 85 CD1 LEU A 26 12.495 22.144 -1.209 1.00 13.83 C ATOM 86 CD2 LEU A 26 13.493 22.587 -3.502 1.00 10.63 C ATOM 87 H LEU A 26 9.825 25.545 -3.191 1.00 0.00 H ATOM 88 N ILE A 27 9.229 22.527 -5.678 1.00 9.19 N ATOM 89 CA ILE A 27 7.979 22.030 -6.318 1.00 9.09 C ATOM 90 C ILE A 27 7.453 20.870 -5.479 1.00 8.88 C ATOM 91 O ILE A 27 8.145 19.912 -5.202 1.00 8.98 O ATOM 92 CB ILE A 27 8.283 21.590 -7.767 1.00 9.45 C ATOM 93 CG1 ILE A 27 8.785 22.809 -8.558 1.00 11.23 C ATOM 94 CG2 ILE A 27 7.079 20.935 -8.428 1.00 10.49 C ATOM 95 CD1 ILE A 27 9.454 22.408 -9.869 1.00 13.11 C ATOM 96 H ILE A 27 10.138 22.128 -5.987 1.00 0.00 H ATOM 97 N VAL A 28 6.173 20.958 -5.184 1.00 9.35 N ATOM 98 CA VAL A 28 5.455 19.957 -4.336 1.00 9.21 C ATOM 99 C VAL A 28 5.355 18.606 -5.116 1.00 10.06 C ATOM 100 O VAL A 28 4.826 18.589 -6.260 1.00 9.78 O ATOM 101 CB VAL A 28 4.111 20.538 -3.984 1.00 10.14 C ATOM 102 CG1 VAL A 28 3.262 19.529 -3.274 1.00 11.15 C ATOM 103 CG2 VAL A 28 4.233 21.768 -3.107 1.00 10.15 C ATOM 104 H VAL A 28 5.634 21.764 -5.560 1.00 0.00 H ATOM 105 N ASP A 29 5.745 17.542 -4.460 1.00 10.30 N ATOM 106 CA ASP A 29 5.695 16.168 -4.983 1.00 10.15 C ATOM 107 C ASP A 29 5.081 15.296 -3.875 1.00 10.09 C ATOM 108 O ASP A 29 4.926 15.700 -2.701 1.00 8.80 O ATOM 109 CB ASP A 29 7.089 15.696 -5.347 1.00 11.93 C ATOM 110 CG ASP A 29 7.154 14.477 -6.251 1.00 13.54 C ATOM 111 OD1 ASP A 29 6.131 14.001 -6.755 1.00 15.59 O ATOM 112 OD2 ASP A 29 8.285 13.977 -6.416 1.00 16.46 O ATOM 113 H ASP A 29 6.117 17.678 -3.499 1.00 0.00 H ATOM 114 N GLU A 30 4.617 14.117 -4.303 1.00 12.32 N ATOM 115 CA GLU A 30 3.986 13.171 -3.384 1.00 11.92 C ATOM 116 C GLU A 30 4.935 12.515 -2.431 1.00 11.81 C ATOM 117 O GLU A 30 6.107 12.338 -2.743 1.00 12.25 O ATOM 118 CB GLU A 30 3.285 12.062 -4.249 1.00 13.39 C ATOM 119 CG GLU A 30 2.280 11.137 -3.514 1.00 14.81 C ATOM 120 CD GLU A 30 1.270 11.873 -2.725 1.00 13.65 C ATOM 121 OE1 GLU A 30 0.151 12.055 -3.274 1.00 18.62 O ATOM 122 OE2 GLU A 30 1.524 12.164 -1.517 1.00 12.76 O ATOM 123 H GLU A 30 4.707 13.868 -5.309 1.00 0.00 H ATOM 124 N ALA A 31 4.404 12.040 -1.300 1.00 11.89 N ATOM 125 CA ALA A 31 5.188 11.285 -0.277 1.00 14.07 C ATOM 126 C ALA A 31 5.298 9.817 -0.607 1.00 15.83 C ATOM 127 O ALA A 31 4.333 9.258 -1.122 1.00 19.59 O ATOM 128 CB ALA A 31 4.572 11.439 1.135 1.00 17.39 C ATOM 129 H ALA A 31 3.392 12.205 -1.123 1.00 0.00 H ATOM 130 N ILE A 32 6.404 9.206 -0.182 1.00 17.33 N ATOM 131 CA ILE A 32 6.510 7.740 -0.183 1.00 20.78 C ATOM 132 C ILE A 32 6.057 7.135 1.156 1.00 25.58 C ATOM 133 O ILE A 32 5.254 6.177 1.174 1.00 30.74 O ATOM 134 CB ILE A 32 7.943 7.308 -0.504 1.00 23.45 C ATOM 135 CG1 ILE A 32 8.415 7.887 -1.852 1.00 28.63 C ATOM 136 CG2 ILE A 32 8.043 5.769 -0.470 1.00 27.17 C ATOM 137 CD1 ILE A 32 7.552 7.628 -3.066 1.00 30.38 C ATOM 138 H ILE A 32 7.205 9.776 0.156 1.00 0.00 H ATOM 139 N ASN A 33 6.523 7.692 2.250 1.00 26.29 N ATOM 140 CA ASN A 33 5.986 7.275 3.555 1.00 29.14 C ATOM 141 C ASN A 33 5.062 8.369 4.042 1.00 29.90 C ATOM 142 O ASN A 33 5.434 9.539 4.072 1.00 33.21 O ATOM 143 CB ASN A 33 7.132 6.963 4.537 1.00 30.51 C ATOM 144 CG ASN A 33 8.006 5.856 4.007 1.00 34.75 C ATOM 145 OD1 ASN A 33 7.505 4.800 3.577 1.00 33.64 O ATOM 146 ND2 ASN A 33 9.295 6.108 3.940 1.00 37.13 N ATOM 147 HD22 ASN A 33 9.670 7.004 4.312 1.00 0.00 H ATOM 148 HD21 ASN A 33 9.940 5.411 3.515 1.00 0.00 H ATOM 149 H ASN A 33 7.264 8.420 2.195 1.00 0.00 H ATOM 150 N GLU A 34 3.819 8.014 4.253 1.00 28.24 N ATOM 151 CA GLU A 34 2.832 8.958 4.735 1.00 27.92 C ATOM 152 C GLU A 34 3.174 9.233 6.173 1.00 23.13 C ATOM 153 O GLU A 34 3.092 8.335 7.008 1.00 24.09 O ATOM 154 CB GLU A 34 1.430 8.325 4.736 1.00 29.08 C ATOM 155 CG GLU A 34 0.966 8.104 3.323 1.00 30.48 C ATOM 156 CD GLU A 34 0.544 9.420 2.722 1.00 32.70 C ATOM 157 OE1 GLU A 34 -0.041 10.258 3.485 1.00 30.15 O ATOM 158 OE2 GLU A 34 0.809 9.606 1.508 1.00 34.69 O ATOM 159 H GLU A 34 3.534 7.031 4.070 1.00 0.00 H ATOM 160 N ASP A 35 3.694 10.398 6.478 1.00 19.26 N ATOM 161 CA ASP A 35 3.597 10.907 7.890 1.00 13.27 C ATOM 162 C ASP A 35 3.299 12.352 7.850 1.00 12.74 C ATOM 163 O ASP A 35 3.928 13.106 7.103 1.00 12.66 O ATOM 164 CB ASP A 35 4.855 10.639 8.693 1.00 12.91 C ATOM 165 CG ASP A 35 4.719 10.953 10.176 1.00 11.79 C ATOM 166 OD1 ASP A 35 4.852 12.127 10.503 1.00 11.04 O ATOM 167 OD2 ASP A 35 4.340 10.071 10.971 1.00 14.62 O ATOM 168 H ASP A 35 4.170 10.966 5.748 1.00 0.00 H ATOM 169 N ASN A 36 2.348 12.803 8.626 1.00 11.73 N ATOM 170 CA ASN A 36 1.848 14.143 8.656 1.00 10.41 C ATOM 171 C ASN A 36 2.921 15.190 9.010 1.00 10.09 C ATOM 172 O ASN A 36 2.668 16.389 8.904 1.00 12.93 O ATOM 173 CB ASN A 36 0.663 14.336 9.583 1.00 10.73 C ATOM 174 CG ASN A 36 -0.532 13.440 9.208 1.00 10.76 C ATOM 175 OD1 ASN A 36 -0.644 12.966 8.071 1.00 11.67 O ATOM 176 ND2 ASN A 36 -1.356 13.217 10.168 1.00 10.15 N ATOM 177 HD22 ASN A 36 -1.198 13.650 11.100 1.00 0.00 H ATOM 178 HD21 ASN A 36 -2.181 12.603 10.013 1.00 0.00 H ATOM 179 H ASN A 36 1.914 12.124 9.283 1.00 0.00 H ATOM 180 N SER A 37 3.945 14.758 9.748 1.00 9.23 N ATOM 181 CA SER A 37 4.879 15.709 10.276 1.00 8.62 C ATOM 182 C SER A 37 6.182 15.801 9.453 1.00 11.00 C ATOM 183 O SER A 37 7.092 16.471 9.925 1.00 13.02 O ATOM 184 CB SER A 37 5.278 15.318 11.722 1.00 9.66 C ATOM 185 OG SER A 37 4.146 15.369 12.560 1.00 10.39 O ATOM 186 HG SER A 37 3.777 16.288 12.559 1.00 0.00 H ATOM 187 H SER A 37 4.064 13.743 9.938 1.00 0.00 H ATOM 188 N VAL A 38 6.327 15.067 8.387 1.00 9.19 N ATOM 189 CA VAL A 38 7.653 14.895 7.707 1.00 9.91 C ATOM 190 C VAL A 38 7.467 15.418 6.275 1.00 10.03 C ATOM 191 O VAL A 38 6.507 15.118 5.559 1.00 10.04 O ATOM 192 CB VAL A 38 8.036 13.416 7.662 1.00 11.22 C ATOM 193 CG1 VAL A 38 9.287 13.149 6.790 1.00 13.78 C ATOM 194 CG2 VAL A 38 8.144 12.954 9.112 1.00 12.34 C ATOM 195 H VAL A 38 5.495 14.583 7.994 1.00 0.00 H ATOM 196 N VAL A 39 8.539 16.128 5.838 1.00 8.17 N ATOM 197 CA VAL A 39 8.756 16.353 4.441 1.00 8.11 C ATOM 198 C VAL A 39 10.145 15.907 4.068 1.00 7.91 C ATOM 199 O VAL A 39 11.013 15.764 4.931 1.00 8.05 O ATOM 200 CB VAL A 39 8.626 17.834 4.036 1.00 9.17 C ATOM 201 CG1 VAL A 39 7.196 18.309 4.272 1.00 10.61 C ATOM 202 CG2 VAL A 39 9.624 18.655 4.791 1.00 9.83 C ATOM 203 H VAL A 39 9.213 16.514 6.529 1.00 0.00 H ATOM 204 N SER A 40 10.355 15.520 2.790 1.00 7.81 N ATOM 205 CA SER A 40 11.623 14.999 2.336 1.00 8.66 C ATOM 206 C SER A 40 12.234 15.768 1.174 1.00 8.04 C ATOM 207 O SER A 40 11.514 16.197 0.309 1.00 8.04 O ATOM 208 CB SER A 40 11.607 13.524 1.945 1.00 9.37 C ATOM 209 OG SER A 40 11.241 12.755 3.149 1.00 13.03 O ATOM 210 HG SER A 40 11.221 11.790 2.929 1.00 0.00 H ATOM 211 H SER A 40 9.574 15.600 2.108 1.00 0.00 H ATOM 212 N LEU A 41 13.561 15.927 1.243 1.00 8.86 N ATOM 213 CA LEU A 41 14.352 16.624 0.182 1.00 8.96 C ATOM 214 C LEU A 41 15.454 15.639 -0.231 1.00 8.94 C ATOM 215 O LEU A 41 15.840 14.716 0.493 1.00 9.80 O ATOM 216 CB LEU A 41 15.058 17.873 0.745 1.00 9.42 C ATOM 217 CG LEU A 41 14.351 19.217 0.748 1.00 13.12 C ATOM 218 CD1 LEU A 41 12.931 19.135 1.035 1.00 14.55 C ATOM 219 CD2 LEU A 41 15.086 20.244 1.604 1.00 11.06 C ATOM 220 H LEU A 41 14.064 15.549 2.071 1.00 0.00 H ATOM 221 N SER A 42 16.049 15.906 -1.402 1.00 8.15 N ATOM 222 CA SER A 42 17.308 15.241 -1.800 1.00 7.27 C ATOM 223 C SER A 42 18.440 15.632 -0.923 1.00 7.86 C ATOM 224 O SER A 42 18.410 16.733 -0.362 1.00 8.68 O ATOM 225 CB SER A 42 17.567 15.525 -3.250 1.00 7.61 C ATOM 226 OG SER A 42 18.161 16.794 -3.412 1.00 8.12 O ATOM 227 HG SER A 42 18.323 16.961 -4.374 1.00 0.00 H ATOM 228 H SER A 42 15.615 16.597 -2.046 1.00 0.00 H ATOM 229 N GLN A 43 19.474 14.820 -0.876 1.00 9.22 N ATOM 230 CA GLN A 43 20.643 15.198 -0.138 1.00 8.92 C ATOM 231 C GLN A 43 21.324 16.433 -0.692 1.00 8.37 C ATOM 232 O GLN A 43 21.681 17.289 0.071 1.00 9.98 O ATOM 233 CB GLN A 43 21.657 14.053 -0.014 1.00 10.57 C ATOM 234 CG GLN A 43 22.760 14.324 0.963 1.00 11.16 C ATOM 235 CD GLN A 43 22.265 14.511 2.369 1.00 13.60 C ATOM 236 OE1 GLN A 43 21.520 13.660 2.914 1.00 14.37 O ATOM 237 NE2 GLN A 43 22.644 15.622 3.010 1.00 12.14 N ATOM 238 HE22 GLN A 43 23.262 16.311 2.535 1.00 0.00 H ATOM 239 HE21 GLN A 43 22.321 15.797 3.983 1.00 0.00 H ATOM 240 H GLN A 43 19.443 13.907 -1.373 1.00 0.00 H ATOM 241 N PRO A 44 21.440 16.580 -2.024 1.00 9.35 N ATOM 242 CA PRO A 44 22.023 17.807 -2.498 1.00 9.31 C ATOM 243 C PRO A 44 21.299 19.065 -2.076 1.00 8.93 C ATOM 244 O PRO A 44 21.864 20.128 -1.820 1.00 9.68 O ATOM 245 CB PRO A 44 21.988 17.621 -4.009 1.00 10.76 C ATOM 246 CG PRO A 44 22.139 16.128 -4.186 1.00 11.04 C ATOM 247 CD PRO A 44 21.305 15.556 -3.094 1.00 10.40 C ATOM 248 N LYS A 45 19.960 18.987 -2.070 1.00 8.16 N ATOM 249 CA LYS A 45 19.186 20.132 -1.646 1.00 8.15 C ATOM 250 C LYS A 45 19.353 20.382 -0.144 1.00 8.66 C ATOM 251 O LYS A 45 19.428 21.532 0.285 1.00 9.54 O ATOM 252 CB LYS A 45 17.753 19.980 -2.096 1.00 8.21 C ATOM 253 CG LYS A 45 16.789 21.064 -1.674 1.00 8.93 C ATOM 254 CD LYS A 45 17.227 22.402 -2.332 1.00 8.97 C ATOM 255 CE LYS A 45 17.089 22.411 -3.847 1.00 9.73 C ATOM 256 NZ LYS A 45 17.326 23.801 -4.453 1.00 11.20 N ATOM 257 HZ1 LYS A 45 16.631 24.470 -4.064 1.00 0.00 H ATOM 258 HZ2 LYS A 45 18.287 24.121 -4.217 1.00 0.00 H ATOM 259 HZ3 LYS A 45 17.220 23.750 -5.486 1.00 0.00 H ATOM 260 H LYS A 45 19.483 18.112 -2.367 1.00 0.00 H ATOM 261 N MET A 46 19.309 19.322 0.665 1.00 8.83 N ATOM 262 CA MET A 46 19.622 19.511 2.081 1.00 9.56 C ATOM 263 C MET A 46 20.995 20.233 2.262 1.00 8.02 C ATOM 264 O MET A 46 21.083 21.170 3.056 1.00 9.94 O ATOM 265 CB MET A 46 19.701 18.197 2.795 1.00 11.16 C ATOM 266 CG MET A 46 18.450 17.421 2.760 1.00 15.29 C ATOM 267 SD MET A 46 17.312 17.786 4.020 1.00 16.34 S ATOM 268 CE MET A 46 18.033 17.079 5.570 1.00 11.02 C ATOM 269 H MET A 46 19.058 18.382 0.297 1.00 0.00 H ATOM 270 N ASP A 47 21.999 19.823 1.535 1.00 9.59 N ATOM 271 CA ASP A 47 23.281 20.427 1.663 1.00 9.70 C ATOM 272 C ASP A 47 23.302 21.883 1.189 1.00 10.50 C ATOM 273 O ASP A 47 23.884 22.790 1.800 1.00 12.17 O ATOM 274 CB ASP A 47 24.338 19.648 0.839 1.00 11.01 C ATOM 275 CG ASP A 47 24.638 18.300 1.397 1.00 12.89 C ATOM 276 OD1 ASP A 47 24.290 18.004 2.575 1.00 15.27 O ATOM 277 OD2 ASP A 47 25.272 17.531 0.620 1.00 17.14 O ATOM 278 H ASP A 47 21.860 19.048 0.856 1.00 0.00 H ATOM 279 N GLU A 48 22.548 22.182 0.148 1.00 9.93 N ATOM 280 CA GLU A 48 22.446 23.538 -0.388 1.00 9.95 C ATOM 281 C GLU A 48 21.850 24.465 0.641 1.00 10.01 C ATOM 282 O GLU A 48 22.257 25.633 0.803 1.00 11.62 O ATOM 283 CB GLU A 48 21.627 23.543 -1.693 1.00 10.40 C ATOM 284 CG GLU A 48 21.607 24.918 -2.322 1.00 11.08 C ATOM 285 CD GLU A 48 20.713 25.008 -3.561 1.00 12.24 C ATOM 286 OE1 GLU A 48 20.063 23.995 -3.907 1.00 12.11 O ATOM 287 OE2 GLU A 48 20.617 26.128 -4.081 1.00 14.23 O ATOM 288 H GLU A 48 22.005 21.422 -0.309 1.00 0.00 H ATOM 289 N LEU A 49 20.863 23.977 1.384 1.00 9.45 N ATOM 290 CA LEU A 49 20.133 24.762 2.329 1.00 9.24 C ATOM 291 C LEU A 49 20.588 24.631 3.803 1.00 8.64 C ATOM 292 O LEU A 49 19.975 25.174 4.690 1.00 9.14 O ATOM 293 CB LEU A 49 18.605 24.377 2.212 1.00 9.99 C ATOM 294 CG LEU A 49 17.973 24.721 0.855 1.00 10.61 C ATOM 295 CD1 LEU A 49 16.484 24.376 0.879 1.00 11.04 C ATOM 296 CD2 LEU A 49 18.166 26.135 0.425 1.00 10.46 C ATOM 297 H LEU A 49 20.609 22.975 1.273 1.00 0.00 H ATOM 298 N GLN A 50 21.718 23.937 4.000 1.00 8.96 N ATOM 299 CA GLN A 50 22.268 23.714 5.316 1.00 10.17 C ATOM 300 C GLN A 50 21.305 23.072 6.301 1.00 9.26 C ATOM 301 O GLN A 50 21.228 23.395 7.472 1.00 11.08 O ATOM 302 CB GLN A 50 22.870 24.954 5.958 1.00 11.58 C ATOM 303 CG GLN A 50 23.906 25.610 5.038 1.00 12.42 C ATOM 304 CD GLN A 50 24.498 26.843 5.637 1.00 14.60 C ATOM 305 OE1 GLN A 50 23.777 27.709 6.140 1.00 14.37 O ATOM 306 NE2 GLN A 50 25.827 26.871 5.732 1.00 15.73 N ATOM 307 HE22 GLN A 50 26.396 26.120 5.292 1.00 0.00 H ATOM 308 HE21 GLN A 50 26.295 27.644 6.246 1.00 0.00 H ATOM 309 H GLN A 50 22.216 23.545 3.175 1.00 0.00 H ATOM 310 N LEU A 51 20.561 22.106 5.806 1.00 9.22 N ATOM 311 CA LEU A 51 19.586 21.308 6.590 1.00 9.51 C ATOM 312 C LEU A 51 20.135 19.972 6.940 1.00 9.54 C ATOM 313 O LEU A 51 20.736 19.281 6.126 1.00 10.30 O ATOM 314 CB LEU A 51 18.286 21.161 5.812 1.00 10.08 C ATOM 315 CG LEU A 51 17.597 22.466 5.430 1.00 10.62 C ATOM 316 CD1 LEU A 51 16.395 22.239 4.495 1.00 11.34 C ATOM 317 CD2 LEU A 51 17.117 23.164 6.679 1.00 12.68 C ATOM 318 H LEU A 51 20.663 21.886 4.795 1.00 0.00 H ATOM 319 N PHE A 52 19.851 19.530 8.155 1.00 9.03 N ATOM 320 CA PHE A 52 20.208 18.194 8.686 1.00 9.00 C ATOM 321 C PHE A 52 18.901 17.411 8.855 1.00 8.45 C ATOM 322 O PHE A 52 17.851 17.963 9.210 1.00 8.93 O ATOM 323 CB PHE A 52 20.956 18.287 10.040 1.00 10.55 C ATOM 324 CG PHE A 52 22.295 18.965 10.003 1.00 12.31 C ATOM 325 CD1 PHE A 52 22.958 19.347 8.873 1.00 13.40 C ATOM 326 CD2 PHE A 52 22.941 19.174 11.243 1.00 14.99 C ATOM 327 CE1 PHE A 52 24.211 20.004 8.956 1.00 14.56 C ATOM 328 CE2 PHE A 52 24.199 19.778 11.321 1.00 15.77 C ATOM 329 CZ PHE A 52 24.816 20.171 10.182 1.00 14.36 C ATOM 330 H PHE A 52 19.335 20.173 8.789 1.00 0.00 H ATOM 331 N ARG A 53 19.056 16.113 8.728 1.00 9.10 N ATOM 332 CA ARG A 53 17.950 15.235 9.035 1.00 8.03 C ATOM 333 C ARG A 53 17.432 15.544 10.413 1.00 8.85 C ATOM 334 O ARG A 53 18.189 15.667 11.363 1.00 8.84 O ATOM 335 CB ARG A 53 18.420 13.768 8.926 1.00 9.39 C ATOM 336 CG ARG A 53 18.721 13.246 7.561 1.00 11.12 C ATOM 337 CD ARG A 53 19.547 12.000 7.647 1.00 12.01 C ATOM 338 NE ARG A 53 19.862 11.406 6.368 1.00 13.33 N ATOM 339 CZ ARG A 53 20.846 11.758 5.571 1.00 15.89 C ATOM 340 NH1 ARG A 53 21.627 12.769 5.873 1.00 18.08 N ATOM 341 NH2 ARG A 53 21.042 11.121 4.402 1.00 19.89 N ATOM 342 HE ARG A 53 19.253 10.626 6.048 1.00 0.00 H ATOM 343 HH12 ARG A 53 22.402 13.037 5.233 1.00 0.00 H ATOM 344 HH11 ARG A 53 21.471 13.302 6.752 1.00 0.00 H ATOM 345 HH22 ARG A 53 21.824 11.407 3.778 1.00 0.00 H ATOM 346 HH21 ARG A 53 20.412 10.342 4.122 1.00 0.00 H ATOM 347 H ARG A 53 19.965 15.721 8.410 1.00 0.00 H ATOM 348 N GLY A 54 16.112 15.582 10.549 1.00 8.95 N ATOM 349 CA GLY A 54 15.385 15.823 11.807 1.00 8.80 C ATOM 350 C GLY A 54 15.231 17.277 12.177 1.00 8.47 C ATOM 351 O GLY A 54 14.572 17.609 13.153 1.00 9.48 O ATOM 352 H GLY A 54 15.542 15.428 9.693 1.00 0.00 H ATOM 353 N ASP A 55 15.794 18.187 11.342 1.00 8.54 N ATOM 354 CA ASP A 55 15.606 19.597 11.582 1.00 8.52 C ATOM 355 C ASP A 55 14.110 19.978 11.474 1.00 7.63 C ATOM 356 O ASP A 55 13.396 19.497 10.581 1.00 8.92 O ATOM 357 CB ASP A 55 16.342 20.530 10.621 1.00 8.10 C ATOM 358 CG ASP A 55 17.815 20.641 10.831 1.00 8.14 C ATOM 359 OD1 ASP A 55 18.311 20.165 11.848 1.00 9.74 O ATOM 360 OD2 ASP A 55 18.402 21.316 9.933 1.00 9.67 O ATOM 361 H ASP A 55 16.360 17.868 10.530 1.00 0.00 H ATOM 362 N THR A 56 13.631 20.848 12.377 1.00 7.98 N ATOM 363 CA THR A 56 12.342 21.534 12.219 1.00 8.06 C ATOM 364 C THR A 56 12.463 22.603 11.129 1.00 8.03 C ATOM 365 O THR A 56 13.435 23.398 11.109 1.00 10.07 O ATOM 366 CB THR A 56 11.885 22.139 13.518 1.00 9.54 C ATOM 367 OG1 THR A 56 12.965 22.770 14.185 1.00 11.98 O ATOM 368 CG2 THR A 56 11.384 21.086 14.432 1.00 10.95 C ATOM 369 HG1 THR A 56 13.333 23.487 13.610 1.00 0.00 H ATOM 370 H THR A 56 14.198 21.045 13.226 1.00 0.00 H ATOM 371 N VAL A 57 11.504 22.642 10.202 1.00 8.10 N ATOM 372 CA VAL A 57 11.493 23.568 9.103 1.00 8.28 C ATOM 373 C VAL A 57 10.112 24.220 9.055 1.00 9.24 C ATOM 374 O VAL A 57 9.104 23.587 9.447 1.00 9.57 O ATOM 375 CB VAL A 57 11.831 22.867 7.761 1.00 8.72 C ATOM 376 CG1 VAL A 57 13.214 22.419 7.780 1.00 8.19 C ATOM 377 CG2 VAL A 57 10.888 21.699 7.401 1.00 9.26 C ATOM 378 H VAL A 57 10.720 21.963 10.279 1.00 0.00 H ATOM 379 N LEU A 58 10.094 25.457 8.571 1.00 8.96 N ATOM 380 CA LEU A 58 8.859 26.217 8.308 1.00 8.97 C ATOM 381 C LEU A 58 8.636 26.233 6.806 1.00 9.45 C ATOM 382 O LEU A 58 9.461 26.682 6.026 1.00 9.44 O ATOM 383 CB LEU A 58 9.021 27.679 8.874 1.00 11.04 C ATOM 384 CG LEU A 58 7.785 28.556 8.676 1.00 13.89 C ATOM 385 CD1 LEU A 58 6.594 28.015 9.412 1.00 15.33 C ATOM 386 CD2 LEU A 58 8.193 29.944 9.188 1.00 17.22 C ATOM 387 H LEU A 58 11.004 25.916 8.366 1.00 0.00 H ATOM 388 N LEU A 59 7.489 25.725 6.404 1.00 8.23 N ATOM 389 CA LEU A 59 7.016 25.702 5.001 1.00 9.01 C ATOM 390 C LEU A 59 5.994 26.807 4.785 1.00 9.83 C ATOM 391 O LEU A 59 5.121 27.000 5.636 1.00 10.45 O ATOM 392 CB LEU A 59 6.353 24.350 4.724 1.00 9.91 C ATOM 393 CG LEU A 59 7.300 23.176 5.066 1.00 11.90 C ATOM 394 CD1 LEU A 59 6.509 21.906 4.932 1.00 13.36 C ATOM 395 CD2 LEU A 59 8.494 23.143 4.152 1.00 11.29 C ATOM 396 H LEU A 59 6.868 25.308 7.127 1.00 0.00 H ATOM 397 N LYS A 60 6.132 27.519 3.644 1.00 10.02 N ATOM 398 CA LYS A 60 5.197 28.556 3.341 1.00 10.32 C ATOM 399 C LYS A 60 4.600 28.366 1.951 1.00 11.76 C ATOM 400 O LYS A 60 5.275 28.071 0.999 1.00 10.87 O ATOM 401 CB LYS A 60 5.896 29.940 3.372 1.00 11.46 C ATOM 402 CG LYS A 60 6.459 30.309 4.742 1.00 13.70 C ATOM 403 CD LYS A 60 7.106 31.644 4.718 1.00 16.58 C ATOM 404 CE LYS A 60 7.648 32.045 6.052 1.00 20.57 C ATOM 405 NZ LYS A 60 8.577 33.198 5.929 1.00 26.40 N ATOM 406 HZ1 LYS A 60 9.372 32.937 5.312 1.00 0.00 H ATOM 407 HZ2 LYS A 60 8.070 34.008 5.519 1.00 0.00 H ATOM 408 HZ3 LYS A 60 8.937 33.454 6.871 1.00 0.00 H ATOM 409 H LYS A 60 6.914 27.313 2.990 1.00 0.00 H ATOM 410 N GLY A 61 3.295 28.568 1.867 1.00 11.94 N ATOM 411 CA GLY A 61 2.530 28.656 0.619 1.00 14.33 C ATOM 412 C GLY A 61 2.067 30.132 0.467 1.00 13.07 C ATOM 413 O GLY A 61 2.717 31.052 0.958 1.00 15.88 O ATOM 414 H GLY A 61 2.769 28.673 2.758 1.00 0.00 H ATOM 415 N LYS A 62 0.973 30.361 -0.205 1.00 14.72 N ATOM 416 CA LYS A 62 0.482 31.749 -0.420 1.00 15.17 C ATOM 417 C LYS A 62 -0.497 32.054 0.655 1.00 14.74 C ATOM 418 O LYS A 62 -0.893 31.167 1.462 1.00 14.40 O ATOM 419 CB LYS A 62 -0.201 31.835 -1.789 1.00 18.45 C ATOM 420 CG LYS A 62 0.871 31.742 -2.882 1.00 20.94 C ATOM 421 CD LYS A 62 0.449 32.198 -4.237 1.00 23.58 C ATOM 422 CE LYS A 62 1.567 31.861 -5.197 1.00 23.73 C ATOM 423 NZ LYS A 62 1.072 31.984 -6.551 1.00 30.34 N ATOM 424 HZ1 LYS A 62 0.278 31.327 -6.689 1.00 0.00 H ATOM 425 HZ2 LYS A 62 0.749 32.959 -6.714 1.00 0.00 H ATOM 426 HZ3 LYS A 62 1.834 31.754 -7.220 1.00 0.00 H ATOM 427 H LYS A 62 0.436 29.561 -0.597 1.00 0.00 H ATOM 428 N LYS A 63 -0.880 33.334 0.726 1.00 14.23 N ATOM 429 CA LYS A 63 -1.905 33.812 1.695 1.00 15.53 C ATOM 430 C LYS A 63 -1.562 33.455 3.150 1.00 15.90 C ATOM 431 O LYS A 63 -2.474 33.137 3.949 1.00 17.95 O ATOM 432 CB LYS A 63 -3.302 33.319 1.295 1.00 17.96 C ATOM 433 CG LYS A 63 -3.649 33.569 -0.174 1.00 18.35 C ATOM 434 CD LYS A 63 -5.070 33.130 -0.532 1.00 23.88 C ATOM 435 CE LYS A 63 -6.084 33.965 0.241 1.00 27.75 C ATOM 436 NZ LYS A 63 -7.399 33.837 -0.450 1.00 29.48 N ATOM 437 HZ1 LYS A 63 -7.312 34.186 -1.426 1.00 0.00 H ATOM 438 HZ2 LYS A 63 -7.687 32.838 -0.462 1.00 0.00 H ATOM 439 HZ3 LYS A 63 -8.112 34.399 0.058 1.00 0.00 H ATOM 440 H LYS A 63 -0.445 34.022 0.079 1.00 0.00 H ATOM 441 N ARG A 64 -0.284 33.511 3.484 1.00 15.50 N ATOM 442 CA ARG A 64 0.197 33.310 4.830 1.00 15.65 C ATOM 443 C ARG A 64 -0.012 31.847 5.333 1.00 14.20 C ATOM 444 O ARG A 64 0.143 31.674 6.547 1.00 16.16 O ATOM 445 CB ARG A 64 -0.409 34.382 5.758 1.00 17.70 C ATOM 446 CG ARG A 64 0.077 35.769 5.385 1.00 18.12 C ATOM 447 CD ARG A 64 -0.350 36.802 6.428 1.00 23.38 C ATOM 448 NE ARG A 64 0.156 38.133 6.054 1.00 25.17 N ATOM 449 CZ ARG A 64 -0.067 39.248 6.748 1.00 31.30 C ATOM 450 NH1 ARG A 64 -0.789 39.204 7.867 1.00 32.70 N ATOM 451 NH2 ARG A 64 0.460 40.418 6.334 1.00 31.75 N ATOM 452 HE ARG A 64 0.727 38.208 5.188 1.00 0.00 H ATOM 453 HH12 ARG A 64 -0.963 40.075 8.408 1.00 0.00 H ATOM 454 HH11 ARG A 64 -1.179 38.299 8.199 1.00 0.00 H ATOM 455 HH22 ARG A 64 0.285 41.288 6.877 1.00 0.00 H ATOM 456 HH21 ARG A 64 1.041 40.451 5.472 1.00 0.00 H ATOM 457 H ARG A 64 0.412 33.710 2.737 1.00 0.00 H ATOM 458 N ARG A 65 -0.298 30.924 4.447 1.00 14.77 N ATOM 459 CA ARG A 65 -0.417 29.510 4.867 1.00 12.22 C ATOM 460 C ARG A 65 0.978 28.976 5.212 1.00 13.06 C ATOM 461 O ARG A 65 1.932 29.157 4.494 1.00 13.60 O ATOM 462 CB ARG A 65 -1.070 28.579 3.816 1.00 15.16 C ATOM 463 CG ARG A 65 -2.568 28.874 3.544 1.00 17.69 C ATOM 464 CD ARG A 65 -3.383 28.381 4.718 1.00 20.02 C ATOM 465 NE ARG A 65 -4.743 28.871 4.532 1.00 29.82 N ATOM 466 CZ ARG A 65 -5.731 28.698 5.413 1.00 33.08 C ATOM 467 NH1 ARG A 65 -5.512 27.998 6.522 1.00 35.03 N ATOM 468 NH2 ARG A 65 -6.935 29.240 5.160 1.00 36.35 N ATOM 469 HE ARG A 65 -4.958 29.389 3.656 1.00 0.00 H ATOM 470 HH12 ARG A 65 -6.279 27.861 7.211 1.00 0.00 H ATOM 471 HH11 ARG A 65 -4.573 27.587 6.701 1.00 0.00 H ATOM 472 HH22 ARG A 65 -7.715 29.114 5.837 1.00 0.00 H ATOM 473 HH21 ARG A 65 -7.087 29.785 4.288 1.00 0.00 H ATOM 474 H ARG A 65 -0.441 31.185 3.451 1.00 0.00 H ATOM 475 N GLU A 66 1.064 28.280 6.358 1.00 12.77 N ATOM 476 CA GLU A 66 2.330 27.779 6.848 1.00 13.29 C ATOM 477 C GLU A 66 2.150 26.410 7.469 1.00 12.89 C ATOM 478 O GLU A 66 1.060 26.016 7.857 1.00 13.72 O ATOM 479 CB GLU A 66 2.864 28.618 7.944 1.00 16.72 C ATOM 480 CG GLU A 66 3.301 29.962 7.529 1.00 18.09 C ATOM 481 CD GLU A 66 3.813 30.726 8.738 1.00 20.74 C ATOM 482 OE1 GLU A 66 3.565 30.271 9.910 1.00 22.85 O ATOM 483 OE2 GLU A 66 4.494 31.641 8.454 1.00 25.33 O ATOM 484 H GLU A 66 0.199 28.097 6.906 1.00 0.00 H ATOM 485 N ALA A 67 3.284 25.686 7.522 1.00 11.54 N ATOM 486 CA ALA A 67 3.356 24.398 8.215 1.00 13.38 C ATOM 487 C ALA A 67 4.711 24.215 8.808 1.00 12.26 C ATOM 488 O ALA A 67 5.702 24.699 8.267 1.00 12.43 O ATOM 489 CB ALA A 67 3.105 23.246 7.287 1.00 12.24 C ATOM 490 H ALA A 67 4.137 26.054 7.055 1.00 0.00 H ATOM 491 N VAL A 68 4.744 23.581 9.980 1.00 11.83 N ATOM 492 CA VAL A 68 5.990 23.163 10.588 1.00 11.68 C ATOM 493 C VAL A 68 6.112 21.667 10.541 1.00 11.87 C ATOM 494 O VAL A 68 5.237 20.925 10.984 1.00 11.98 O ATOM 495 CB VAL A 68 6.190 23.732 12.032 1.00 13.80 C ATOM 496 CG1 VAL A 68 7.494 23.349 12.575 1.00 14.82 C ATOM 497 CG2 VAL A 68 6.063 25.271 12.053 1.00 18.55 C ATOM 498 H VAL A 68 3.850 23.381 10.472 1.00 0.00 H ATOM 499 N CYS A 69 7.242 21.199 9.982 1.00 9.68 N ATOM 500 CA CYS A 69 7.527 19.799 9.771 1.00 9.28 C ATOM 501 C CYS A 69 8.957 19.504 10.209 1.00 10.07 C ATOM 502 O CYS A 69 9.775 20.399 10.414 1.00 9.25 O ATOM 503 CB CYS A 69 7.403 19.435 8.314 1.00 10.12 C ATOM 504 SG CYS A 69 5.663 19.419 7.747 1.00 14.68 S ATOM 505 H CYS A 69 7.958 21.891 9.682 1.00 0.00 H ATOM 506 N ILE A 70 9.307 18.200 10.223 1.00 9.30 N ATOM 507 CA ILE A 70 10.693 17.783 10.270 1.00 9.17 C ATOM 508 C ILE A 70 11.090 17.411 8.878 1.00 9.08 C ATOM 509 O ILE A 70 10.249 16.918 8.117 1.00 8.95 O ATOM 510 CB ILE A 70 11.028 16.608 11.239 1.00 13.52 C ATOM 511 CG1 ILE A 70 10.376 15.367 10.810 1.00 16.12 C ATOM 512 CG2 ILE A 70 10.641 16.947 12.680 1.00 16.75 C ATOM 513 CD1 ILE A 70 11.086 14.162 11.378 1.00 18.03 C ATOM 514 H ILE A 70 8.561 17.476 10.199 1.00 0.00 H ATOM 515 N VAL A 71 12.345 17.660 8.512 1.00 7.71 N ATOM 516 CA VAL A 71 12.876 17.286 7.209 1.00 8.11 C ATOM 517 C VAL A 71 13.716 16.085 7.237 1.00 8.73 C ATOM 518 O VAL A 71 14.602 15.966 8.107 1.00 9.07 O ATOM 519 CB VAL A 71 13.586 18.538 6.552 1.00 8.52 C ATOM 520 CG1 VAL A 71 14.795 18.949 7.347 1.00 8.96 C ATOM 521 CG2 VAL A 71 13.815 18.248 5.085 1.00 9.25 C ATOM 522 H VAL A 71 12.973 18.142 9.186 1.00 0.00 H ATOM 523 N LEU A 72 13.516 15.176 6.290 1.00 8.64 N ATOM 524 CA LEU A 72 14.306 14.018 6.115 1.00 8.25 C ATOM 525 C LEU A 72 14.895 14.027 4.690 1.00 9.19 C ATOM 526 O LEU A 72 14.428 14.727 3.809 1.00 10.27 O ATOM 527 CB LEU A 72 13.493 12.746 6.297 1.00 9.18 C ATOM 528 CG LEU A 72 12.933 12.570 7.704 1.00 10.15 C ATOM 529 CD1 LEU A 72 12.054 11.270 7.815 1.00 12.48 C ATOM 530 CD2 LEU A 72 13.908 12.603 8.837 1.00 11.53 C ATOM 531 H LEU A 72 12.724 15.327 5.633 1.00 0.00 H ATOM 532 N SER A 73 15.892 13.173 4.465 1.00 8.78 N ATOM 533 CA SER A 73 16.612 13.096 3.155 1.00 9.61 C ATOM 534 C SER A 73 16.209 11.822 2.491 1.00 12.28 C ATOM 535 O SER A 73 16.297 10.766 3.118 1.00 14.29 O ATOM 536 CB SER A 73 18.123 12.973 3.478 1.00 12.57 C ATOM 537 OG SER A 73 18.904 12.886 2.274 1.00 15.60 O ATOM 538 HG SER A 73 18.624 12.089 1.757 1.00 0.00 H ATOM 539 H SER A 73 16.182 12.533 5.232 1.00 0.00 H ATOM 540 N ASP A 74 15.887 11.872 1.202 1.00 12.44 N ATOM 541 CA ASP A 74 15.302 10.818 0.459 1.00 14.01 C ATOM 542 C ASP A 74 16.122 10.742 -0.885 1.00 15.07 C ATOM 543 O ASP A 74 16.110 11.669 -1.609 1.00 14.72 O ATOM 544 CB ASP A 74 13.848 11.180 0.162 1.00 16.22 C ATOM 545 CG ASP A 74 13.168 10.241 -0.813 1.00 22.42 C ATOM 546 OD1 ASP A 74 13.845 9.308 -1.274 1.00 21.68 O ATOM 547 OD2 ASP A 74 12.024 10.515 -1.154 1.00 28.38 O ATOM 548 H ASP A 74 16.081 12.760 0.697 1.00 0.00 H ATOM 549 N ASP A 75 16.839 9.633 -1.147 1.00 19.30 N ATOM 550 CA ASP A 75 17.621 9.481 -2.398 1.00 22.69 C ATOM 551 C ASP A 75 16.847 9.233 -3.656 1.00 21.07 C ATOM 552 O ASP A 75 17.436 9.136 -4.717 1.00 27.83 O ATOM 553 CB ASP A 75 18.722 8.396 -2.274 1.00 27.34 C ATOM 554 CG ASP A 75 18.191 6.992 -2.496 1.00 34.86 C ATOM 555 OD1 ASP A 75 17.044 6.631 -2.097 1.00 38.36 O ATOM 556 OD2 ASP A 75 18.983 6.199 -3.055 1.00 51.63 O ATOM 557 H ASP A 75 16.845 8.860 -0.451 1.00 0.00 H ATOM 558 N THR A 76 15.554 9.209 -3.583 1.00 16.66 N ATOM 559 CA THR A 76 14.769 9.260 -4.820 1.00 19.32 C ATOM 560 C THR A 76 14.108 10.604 -5.098 1.00 16.96 C ATOM 561 O THR A 76 13.569 10.806 -6.143 1.00 21.43 O ATOM 562 CB THR A 76 13.714 8.171 -4.815 1.00 23.47 C ATOM 563 OG1 THR A 76 12.724 8.457 -3.849 1.00 22.25 O ATOM 564 CG2 THR A 76 14.455 6.836 -4.416 1.00 25.28 C ATOM 565 HG1 THR A 76 13.143 8.508 -2.954 1.00 0.00 H ATOM 566 H THR A 76 15.079 9.154 -2.659 1.00 0.00 H ATOM 567 N CYS A 77 14.250 11.560 -4.194 1.00 12.94 N ATOM 568 CA CYS A 77 13.614 12.812 -4.448 1.00 12.28 C ATOM 569 C CYS A 77 14.415 13.670 -5.406 1.00 11.20 C ATOM 570 O CYS A 77 15.650 13.702 -5.351 1.00 13.18 O ATOM 571 CB CYS A 77 13.530 13.644 -3.131 1.00 11.40 C ATOM 572 SG CYS A 77 12.507 15.215 -3.128 1.00 14.06 S ATOM 573 H CYS A 77 14.806 11.404 -3.329 1.00 0.00 H ATOM 574 N SER A 78 13.715 14.284 -6.334 1.00 11.84 N ATOM 575 CA SER A 78 14.344 15.200 -7.271 1.00 11.71 C ATOM 576 C SER A 78 14.885 16.402 -6.574 1.00 10.36 C ATOM 577 O SER A 78 14.250 16.834 -5.615 1.00 10.86 O ATOM 578 CB SER A 78 13.365 15.631 -8.358 1.00 15.76 C ATOM 579 OG SER A 78 13.058 14.480 -9.161 1.00 22.29 O ATOM 580 HG SER A 78 12.422 14.737 -9.875 1.00 0.00 H ATOM 581 H SER A 78 12.692 14.111 -6.399 1.00 0.00 H ATOM 582 N ASP A 79 16.045 16.965 -6.951 1.00 11.28 N ATOM 583 CA ASP A 79 16.642 18.048 -6.200 1.00 12.15 C ATOM 584 C ASP A 79 15.719 19.271 -6.082 1.00 11.65 C ATOM 585 O ASP A 79 15.642 19.891 -4.989 1.00 11.90 O ATOM 586 CB ASP A 79 17.900 18.531 -6.854 1.00 13.23 C ATOM 587 CG ASP A 79 19.055 17.534 -6.756 1.00 15.42 C ATOM 588 OD1 ASP A 79 19.117 16.637 -5.906 1.00 14.20 O ATOM 589 OD2 ASP A 79 19.937 17.661 -7.645 1.00 17.97 O ATOM 590 H ASP A 79 16.526 16.614 -7.804 1.00 0.00 H ATOM 591 N GLU A 80 14.903 19.529 -7.130 1.00 10.31 N ATOM 592 CA GLU A 80 14.089 20.726 -7.097 1.00 12.08 C ATOM 593 C GLU A 80 12.680 20.514 -6.572 1.00 9.93 C ATOM 594 O GLU A 80 11.857 21.407 -6.648 1.00 11.37 O ATOM 595 CB GLU A 80 14.163 21.538 -8.388 1.00 17.08 C ATOM 596 CG GLU A 80 15.628 22.036 -8.757 1.00 18.26 C ATOM 597 CD GLU A 80 16.531 22.763 -7.660 1.00 21.20 C ATOM 598 OE1 GLU A 80 16.001 23.562 -6.930 1.00 19.88 O ATOM 599 OE2 GLU A 80 17.746 22.533 -7.629 1.00 31.99 O ATOM 600 H GLU A 80 14.861 18.881 -7.942 1.00 0.00 H ATOM 601 N LYS A 81 12.453 19.341 -5.994 1.00 8.79 N ATOM 602 CA LYS A 81 11.124 18.997 -5.413 1.00 8.84 C ATOM 603 C LYS A 81 11.166 18.737 -3.889 1.00 8.14 C ATOM 604 O LYS A 81 12.283 18.495 -3.339 1.00 9.12 O ATOM 605 CB LYS A 81 10.563 17.810 -6.079 1.00 9.05 C ATOM 606 CG LYS A 81 10.243 18.049 -7.585 1.00 11.49 C ATOM 607 CD LYS A 81 9.468 16.961 -8.267 1.00 12.52 C ATOM 608 CE LYS A 81 9.058 17.429 -9.666 1.00 14.47 C ATOM 609 NZ LYS A 81 8.348 16.336 -10.355 1.00 20.55 N ATOM 610 HZ1 LYS A 81 8.976 15.511 -10.433 1.00 0.00 H ATOM 611 HZ2 LYS A 81 7.500 16.078 -9.811 1.00 0.00 H ATOM 612 HZ3 LYS A 81 8.068 16.651 -11.306 1.00 0.00 H ATOM 613 H LYS A 81 13.223 18.643 -5.945 1.00 0.00 H ATOM 614 N ILE A 82 9.990 18.728 -3.267 1.00 8.55 N ATOM 615 CA ILE A 82 9.834 18.417 -1.863 1.00 7.97 C ATOM 616 C ILE A 82 8.674 17.401 -1.772 1.00 9.66 C ATOM 617 O ILE A 82 7.618 17.616 -2.347 1.00 9.91 O ATOM 618 CB ILE A 82 9.512 19.705 -1.072 1.00 8.75 C ATOM 619 CG1 ILE A 82 9.332 19.327 0.443 1.00 8.47 C ATOM 620 CG2 ILE A 82 8.309 20.441 -1.637 1.00 8.60 C ATOM 621 CD1 ILE A 82 9.165 20.510 1.359 1.00 9.21 C ATOM 622 H ILE A 82 9.139 18.956 -3.819 1.00 0.00 H ATOM 623 N ARG A 83 8.938 16.298 -1.136 1.00 8.48 N ATOM 624 CA ARG A 83 7.933 15.263 -0.934 1.00 9.44 C ATOM 625 C ARG A 83 7.137 15.582 0.319 1.00 9.02 C ATOM 626 O ARG A 83 7.690 15.728 1.433 1.00 10.36 O ATOM 627 CB ARG A 83 8.592 13.870 -0.836 1.00 11.62 C ATOM 628 CG ARG A 83 9.289 13.336 -2.065 1.00 15.63 C ATOM 629 CD ARG A 83 9.507 11.811 -1.834 1.00 16.82 C ATOM 630 NE ARG A 83 10.191 11.171 -2.930 1.00 18.56 N ATOM 631 CZ ARG A 83 9.638 10.914 -4.113 1.00 20.21 C ATOM 632 NH1 ARG A 83 8.362 11.213 -4.329 1.00 19.94 N ATOM 633 NH2 ARG A 83 10.348 10.297 -5.083 1.00 22.43 N ATOM 634 HE ARG A 83 11.182 10.892 -2.787 1.00 0.00 H ATOM 635 HH12 ARG A 83 7.930 11.012 -5.254 1.00 0.00 H ATOM 636 HH11 ARG A 83 7.795 11.648 -3.574 1.00 0.00 H ATOM 637 HH22 ARG A 83 9.908 10.100 -6.004 1.00 0.00 H ATOM 638 HH21 ARG A 83 11.335 10.019 -4.908 1.00 0.00 H ATOM 639 H ARG A 83 9.896 16.150 -0.760 1.00 0.00 H ATOM 640 N MET A 84 5.826 15.677 0.159 1.00 9.22 N ATOM 641 CA MET A 84 4.953 15.925 1.307 1.00 10.75 C ATOM 642 C MET A 84 3.606 15.274 1.049 1.00 10.57 C ATOM 643 O MET A 84 3.167 15.274 -0.096 1.00 12.14 O ATOM 644 CB MET A 84 4.777 17.391 1.537 1.00 15.37 C ATOM 645 CG MET A 84 4.276 18.226 0.426 1.00 14.27 C ATOM 646 SD MET A 84 3.720 19.959 0.745 1.00 12.53 S ATOM 647 CE MET A 84 5.336 20.643 1.230 1.00 12.28 C ATOM 648 H MET A 84 5.413 15.575 -0.790 1.00 0.00 H ATOM 649 N ASN A 85 3.007 14.772 2.086 1.00 9.75 N ATOM 650 CA ASN A 85 1.797 14.066 2.015 1.00 10.30 C ATOM 651 C ASN A 85 0.657 15.001 1.819 1.00 9.49 C ATOM 652 O ASN A 85 0.726 16.180 1.943 1.00 9.67 O ATOM 653 CB ASN A 85 1.615 13.022 3.129 1.00 11.38 C ATOM 654 CG ASN A 85 1.103 13.592 4.459 1.00 13.31 C ATOM 655 OD1 ASN A 85 0.982 14.797 4.678 1.00 12.53 O ATOM 656 ND2 ASN A 85 0.817 12.657 5.368 1.00 14.05 N ATOM 657 HD22 ASN A 85 0.936 11.651 5.134 1.00 0.00 H ATOM 658 HD21 ASN A 85 0.475 12.935 6.310 1.00 0.00 H ATOM 659 H ASN A 85 3.448 14.900 3.019 1.00 0.00 H ATOM 660 N ARG A 86 -0.529 14.384 1.583 1.00 9.85 N ATOM 661 CA ARG A 86 -1.743 15.126 1.302 1.00 10.33 C ATOM 662 C ARG A 86 -2.168 15.996 2.461 1.00 9.48 C ATOM 663 O ARG A 86 -2.707 17.090 2.312 1.00 9.16 O ATOM 664 CB ARG A 86 -2.894 14.178 0.896 1.00 12.75 C ATOM 665 CG ARG A 86 -4.236 14.862 0.675 1.00 15.82 C ATOM 666 CD ARG A 86 -4.164 15.760 -0.580 1.00 21.25 C ATOM 667 NE ARG A 86 -5.420 16.448 -0.865 1.00 23.60 N ATOM 668 CZ ARG A 86 -6.382 15.954 -1.637 1.00 32.42 C ATOM 669 NH1 ARG A 86 -6.187 14.768 -2.225 1.00 32.92 N ATOM 670 NH2 ARG A 86 -7.511 16.661 -1.820 1.00 37.26 N ATOM 671 HE ARG A 86 -5.571 17.384 -0.437 1.00 0.00 H ATOM 672 HH12 ARG A 86 -6.926 14.362 -2.834 1.00 0.00 H ATOM 673 HH11 ARG A 86 -5.297 14.253 -2.073 1.00 0.00 H ATOM 674 HH22 ARG A 86 -8.270 16.283 -2.422 1.00 0.00 H ATOM 675 HH21 ARG A 86 -7.626 17.586 -1.359 1.00 0.00 H ATOM 676 H ARG A 86 -0.568 13.345 1.604 1.00 0.00 H ATOM 677 N VAL A 87 -1.983 15.499 3.682 1.00 9.43 N ATOM 678 CA VAL A 87 -2.288 16.301 4.881 1.00 8.93 C ATOM 679 C VAL A 87 -1.496 17.623 4.905 1.00 8.44 C ATOM 680 O VAL A 87 -2.063 18.695 5.116 1.00 9.04 O ATOM 681 CB VAL A 87 -2.059 15.498 6.132 1.00 9.91 C ATOM 682 CG1 VAL A 87 -2.042 16.408 7.357 1.00 11.74 C ATOM 683 CG2 VAL A 87 -3.172 14.411 6.208 1.00 11.33 C ATOM 684 H VAL A 87 -1.618 14.531 3.792 1.00 0.00 H ATOM 685 N VAL A 88 -0.189 17.550 4.670 1.00 8.53 N ATOM 686 CA VAL A 88 0.609 18.740 4.667 1.00 8.95 C ATOM 687 C VAL A 88 0.234 19.626 3.463 1.00 8.60 C ATOM 688 O VAL A 88 0.115 20.861 3.545 1.00 8.69 O ATOM 689 CB VAL A 88 2.101 18.426 4.713 1.00 10.07 C ATOM 690 CG1 VAL A 88 2.918 19.724 4.611 1.00 10.78 C ATOM 691 CG2 VAL A 88 2.426 17.712 6.039 1.00 11.70 C ATOM 692 H VAL A 88 0.255 16.627 4.488 1.00 0.00 H ATOM 693 N ARG A 89 0.019 19.020 2.311 1.00 8.68 N ATOM 694 CA ARG A 89 -0.408 19.797 1.156 1.00 8.46 C ATOM 695 C ARG A 89 -1.727 20.558 1.408 1.00 8.60 C ATOM 696 O ARG A 89 -1.803 21.769 1.105 1.00 10.05 O ATOM 697 CB ARG A 89 -0.592 18.971 -0.104 1.00 9.31 C ATOM 698 CG ARG A 89 0.646 18.298 -0.615 1.00 8.63 C ATOM 699 CD ARG A 89 0.492 17.818 -2.058 1.00 9.86 C ATOM 700 NE ARG A 89 -0.509 16.725 -2.228 1.00 9.26 N ATOM 701 CZ ARG A 89 -0.268 15.454 -2.108 1.00 9.23 C ATOM 702 NH1 ARG A 89 0.857 14.921 -1.582 1.00 9.41 N ATOM 703 NH2 ARG A 89 -1.227 14.610 -2.479 1.00 11.50 N ATOM 704 HE ARG A 89 -1.483 17.004 -2.463 1.00 0.00 H ATOM 705 HH12 ARG A 89 0.966 13.888 -1.525 1.00 0.00 H ATOM 706 HH11 ARG A 89 1.614 15.544 -1.234 1.00 0.00 H ATOM 707 HH22 ARG A 89 -1.076 13.584 -2.400 1.00 0.00 H ATOM 708 HH21 ARG A 89 -2.128 14.976 -2.848 1.00 0.00 H ATOM 709 H ARG A 89 0.154 17.992 2.228 1.00 0.00 H ATOM 710 N ASN A 90 -2.676 19.931 2.068 1.00 8.93 N ATOM 711 CA ASN A 90 -3.911 20.605 2.348 1.00 9.90 C ATOM 712 C ASN A 90 -3.715 21.739 3.307 1.00 10.60 C ATOM 713 O ASN A 90 -4.280 22.809 3.170 1.00 11.74 O ATOM 714 CB ASN A 90 -4.897 19.614 2.900 1.00 10.87 C ATOM 715 CG ASN A 90 -5.484 18.668 1.906 1.00 13.37 C ATOM 716 OD1 ASN A 90 -5.318 18.805 0.690 1.00 14.18 O ATOM 717 ND2 ASN A 90 -6.110 17.578 2.447 1.00 13.46 N ATOM 718 HD22 ASN A 90 -6.228 17.504 3.478 1.00 0.00 H ATOM 719 HD21 ASN A 90 -6.468 16.823 1.827 1.00 0.00 H ATOM 720 H ASN A 90 -2.532 18.951 2.385 1.00 0.00 H ATOM 721 N ASN A 91 -2.847 21.556 4.342 1.00 9.73 N ATOM 722 CA ASN A 91 -2.501 22.641 5.296 1.00 10.08 C ATOM 723 C ASN A 91 -1.882 23.874 4.593 1.00 10.63 C ATOM 724 O ASN A 91 -2.132 25.013 5.012 1.00 12.91 O ATOM 725 CB ASN A 91 -1.645 22.184 6.472 1.00 10.51 C ATOM 726 CG ASN A 91 -2.457 21.352 7.468 1.00 11.12 C ATOM 727 OD1 ASN A 91 -3.638 21.652 7.707 1.00 12.34 O ATOM 728 ND2 ASN A 91 -1.809 20.342 8.025 1.00 12.67 N ATOM 729 HD22 ASN A 91 -0.818 20.156 7.771 1.00 0.00 H ATOM 730 HD21 ASN A 91 -2.291 19.734 8.717 1.00 0.00 H ATOM 731 H ASN A 91 -2.410 20.621 4.469 1.00 0.00 H ATOM 732 N LEU A 92 -1.138 23.606 3.528 1.00 9.64 N ATOM 733 CA LEU A 92 -0.479 24.697 2.765 1.00 10.25 C ATOM 734 C LEU A 92 -1.359 25.190 1.622 1.00 10.82 C ATOM 735 O LEU A 92 -0.989 26.139 0.919 1.00 13.36 O ATOM 736 CB LEU A 92 0.859 24.187 2.269 1.00 10.05 C ATOM 737 CG LEU A 92 1.929 24.003 3.348 1.00 9.79 C ATOM 738 CD1 LEU A 92 3.153 23.326 2.842 1.00 11.31 C ATOM 739 CD2 LEU A 92 2.279 25.360 4.035 1.00 12.47 C ATOM 740 H LEU A 92 -1.014 22.619 3.223 1.00 0.00 H ATOM 741 N ARG A 93 -2.482 24.507 1.396 1.00 10.54 N ATOM 742 CA ARG A 93 -3.403 24.819 0.295 1.00 11.93 C ATOM 743 C ARG A 93 -2.706 24.749 -1.049 1.00 10.92 C ATOM 744 O ARG A 93 -2.922 25.542 -1.931 1.00 13.43 O ATOM 745 CB ARG A 93 -4.120 26.191 0.503 1.00 12.27 C ATOM 746 CG ARG A 93 -4.879 26.321 1.782 1.00 16.42 C ATOM 747 CD ARG A 93 -6.012 25.360 1.900 1.00 21.58 C ATOM 748 NE ARG A 93 -6.904 25.782 3.023 1.00 23.14 N ATOM 749 CZ ARG A 93 -6.807 25.409 4.293 1.00 24.95 C ATOM 750 NH1 ARG A 93 -5.848 24.568 4.704 1.00 22.44 N ATOM 751 NH2 ARG A 93 -7.728 25.856 5.166 1.00 32.87 N ATOM 752 HE ARG A 93 -7.679 26.434 2.785 1.00 0.00 H ATOM 753 HH12 ARG A 93 -5.793 24.291 5.705 1.00 0.00 H ATOM 754 HH11 ARG A 93 -5.158 24.192 4.022 1.00 0.00 H ATOM 755 HH22 ARG A 93 -7.674 25.578 6.167 1.00 0.00 H ATOM 756 HH21 ARG A 93 -8.494 26.479 4.840 1.00 0.00 H ATOM 757 H ARG A 93 -2.717 23.716 2.029 1.00 0.00 H ATOM 758 N VAL A 94 -1.907 23.695 -1.222 1.00 10.65 N ATOM 759 CA VAL A 94 -1.305 23.364 -2.476 1.00 11.11 C ATOM 760 C VAL A 94 -1.619 22.047 -3.062 1.00 11.99 C ATOM 761 O VAL A 94 -2.082 21.115 -2.353 1.00 12.92 O ATOM 762 CB VAL A 94 0.268 23.452 -2.331 1.00 10.40 C ATOM 763 CG1 VAL A 94 0.659 24.902 -2.034 1.00 10.99 C ATOM 764 CG2 VAL A 94 0.821 22.443 -1.339 1.00 10.22 C ATOM 765 H VAL A 94 -1.712 23.083 -0.404 1.00 0.00 H ATOM 766 N ARG A 95 -1.381 21.955 -4.354 1.00 13.49 N ATOM 767 CA ARG A 95 -1.538 20.732 -5.106 1.00 13.49 C ATOM 768 C ARG A 95 -0.165 20.263 -5.546 1.00 12.14 C ATOM 769 O ARG A 95 0.825 21.040 -5.523 1.00 12.47 O ATOM 770 CB ARG A 95 -2.366 21.004 -6.373 1.00 18.01 C ATOM 771 CG ARG A 95 -3.677 21.730 -6.092 1.00 23.94 C ATOM 772 CD ARG A 95 -4.452 21.852 -7.392 1.00 32.18 C ATOM 773 NE ARG A 95 -4.771 20.466 -7.711 1.00 42.23 N ATOM 774 CZ ARG A 95 -5.979 19.902 -7.701 1.00 51.48 C ATOM 775 NH1 ARG A 95 -7.094 20.623 -7.547 1.00 52.92 N ATOM 776 NH2 ARG A 95 -6.055 18.590 -7.929 1.00 52.53 N ATOM 777 HE ARG A 95 -3.973 19.853 -7.974 1.00 0.00 H ATOM 778 HH12 ARG A 95 -8.021 20.152 -7.544 1.00 0.00 H ATOM 779 HH11 ARG A 95 -7.034 21.655 -7.430 1.00 0.00 H ATOM 780 HH22 ARG A 95 -6.980 18.115 -7.929 1.00 0.00 H ATOM 781 HH21 ARG A 95 -5.189 18.042 -8.107 1.00 0.00 H ATOM 782 H ARG A 95 -1.064 22.807 -4.859 1.00 0.00 H ATOM 783 N LEU A 96 -0.055 19.003 -5.952 1.00 11.58 N ATOM 784 CA LEU A 96 1.092 18.525 -6.667 1.00 11.77 C ATOM 785 C LEU A 96 1.472 19.465 -7.796 1.00 12.83 C ATOM 786 O LEU A 96 0.624 19.959 -8.552 1.00 14.52 O ATOM 787 CB LEU A 96 0.876 17.102 -7.131 1.00 12.40 C ATOM 788 CG LEU A 96 0.574 16.051 -6.049 1.00 13.05 C ATOM 789 CD1 LEU A 96 0.135 14.729 -6.680 1.00 15.49 C ATOM 790 CD2 LEU A 96 1.759 15.767 -5.190 1.00 13.25 C ATOM 791 H LEU A 96 -0.828 18.340 -5.744 1.00 0.00 H ATOM 792 N GLY A 97 2.739 19.822 -7.854 1.00 12.34 N ATOM 793 CA GLY A 97 3.208 20.768 -8.813 1.00 12.20 C ATOM 794 C GLY A 97 3.267 22.202 -8.513 1.00 13.05 C ATOM 795 O GLY A 97 3.869 22.989 -9.221 1.00 16.18 O ATOM 796 H GLY A 97 3.415 19.403 -7.183 1.00 0.00 H ATOM 797 N ASP A 98 2.635 22.607 -7.429 1.00 11.37 N ATOM 798 CA ASP A 98 2.625 23.998 -6.924 1.00 11.29 C ATOM 799 C ASP A 98 4.020 24.135 -6.237 1.00 11.54 C ATOM 800 O ASP A 98 4.821 23.234 -6.120 1.00 11.90 O ATOM 801 CB ASP A 98 1.531 24.259 -5.933 1.00 14.24 C ATOM 802 CG ASP A 98 0.158 24.386 -6.583 1.00 14.52 C ATOM 803 OD1 ASP A 98 0.091 24.557 -7.845 1.00 18.70 O ATOM 804 OD2 ASP A 98 -0.834 24.314 -5.860 1.00 15.81 O ATOM 805 H ASP A 98 2.103 21.895 -6.888 1.00 0.00 H ATOM 806 N VAL A 99 4.279 25.367 -5.881 1.00 10.90 N ATOM 807 CA VAL A 99 5.574 25.781 -5.344 1.00 10.02 C ATOM 808 C VAL A 99 5.380 26.262 -3.952 1.00 9.30 C ATOM 809 O VAL A 99 4.451 27.019 -3.644 1.00 11.35 O ATOM 810 CB VAL A 99 6.192 26.864 -6.245 1.00 11.38 C ATOM 811 CG1 VAL A 99 7.532 27.331 -5.674 1.00 11.70 C ATOM 812 CG2 VAL A 99 6.334 26.358 -7.639 1.00 11.91 C ATOM 813 H VAL A 99 3.531 26.083 -5.985 1.00 0.00 H ATOM 814 N ILE A 100 6.283 25.848 -3.043 1.00 8.26 N ATOM 815 CA ILE A 100 6.374 26.335 -1.663 1.00 8.47 C ATOM 816 C ILE A 100 7.774 26.816 -1.356 1.00 9.64 C ATOM 817 O ILE A 100 8.703 26.512 -2.118 1.00 9.83 O ATOM 818 CB ILE A 100 5.854 25.244 -0.661 1.00 10.02 C ATOM 819 CG1 ILE A 100 6.755 24.028 -0.688 1.00 11.68 C ATOM 820 CG2 ILE A 100 4.420 24.909 -0.954 1.00 11.24 C ATOM 821 CD1 ILE A 100 8.080 24.129 -0.006 1.00 14.39 C ATOM 822 H ILE A 100 6.969 25.127 -3.343 1.00 0.00 H ATOM 823 N SER A 101 7.937 27.456 -0.202 1.00 9.07 N ATOM 824 CA SER A 101 9.287 27.685 0.318 1.00 9.14 C ATOM 825 C SER A 101 9.544 26.935 1.597 1.00 8.91 C ATOM 826 O SER A 101 8.587 26.545 2.337 1.00 9.71 O ATOM 827 CB SER A 101 9.574 29.140 0.584 1.00 10.98 C ATOM 828 OG SER A 101 8.770 29.649 1.587 1.00 12.32 O ATOM 829 HG SER A 101 8.928 29.143 2.423 1.00 0.00 H ATOM 830 H SER A 101 7.109 27.793 0.329 1.00 0.00 H ATOM 831 N ILE A 102 10.828 26.565 1.812 1.00 10.08 N ATOM 832 CA ILE A 102 11.294 25.880 3.008 1.00 9.19 C ATOM 833 C ILE A 102 12.431 26.609 3.672 1.00 10.51 C ATOM 834 O ILE A 102 13.314 27.154 2.968 1.00 12.15 O ATOM 835 CB ILE A 102 11.741 24.449 2.698 1.00 9.09 C ATOM 836 CG1 ILE A 102 12.176 23.683 3.989 1.00 9.26 C ATOM 837 CG2 ILE A 102 12.842 24.361 1.645 1.00 10.45 C ATOM 838 CD1 ILE A 102 12.330 22.210 3.819 1.00 8.52 C ATOM 839 H ILE A 102 11.527 26.785 1.074 1.00 0.00 H ATOM 840 N GLN A 103 12.365 26.788 4.984 1.00 10.08 N ATOM 841 CA GLN A 103 13.427 27.499 5.706 1.00 11.39 C ATOM 842 C GLN A 103 13.606 26.855 7.087 1.00 10.71 C ATOM 843 O GLN A 103 12.710 26.216 7.613 1.00 10.02 O ATOM 844 CB GLN A 103 13.118 28.962 5.831 1.00 13.65 C ATOM 845 CG GLN A 103 12.039 29.290 6.711 1.00 14.75 C ATOM 846 CD GLN A 103 11.458 30.683 6.496 1.00 20.10 C ATOM 847 OE1 GLN A 103 10.717 30.944 5.550 1.00 17.50 O ATOM 848 NE2 GLN A 103 11.737 31.577 7.451 1.00 24.77 N ATOM 849 HE22 GLN A 103 12.369 31.319 8.236 1.00 0.00 H ATOM 850 HE21 GLN A 103 11.322 32.530 7.409 1.00 0.00 H ATOM 851 H GLN A 103 11.547 26.419 5.510 1.00 0.00 H ATOM 852 N PRO A 104 14.783 27.050 7.656 1.00 12.14 N ATOM 853 CA PRO A 104 14.987 26.584 8.959 1.00 12.37 C ATOM 854 C PRO A 104 14.072 27.199 9.969 1.00 12.67 C ATOM 855 O PRO A 104 13.692 28.379 9.897 1.00 14.89 O ATOM 856 CB PRO A 104 16.437 27.053 9.267 1.00 13.10 C ATOM 857 CG PRO A 104 17.094 27.231 8.046 1.00 13.75 C ATOM 858 CD PRO A 104 16.006 27.707 7.120 1.00 13.18 C ATOM 859 N CYS A 105 13.701 26.398 10.966 1.00 12.94 N ATOM 860 CA CYS A 105 12.823 26.901 12.030 1.00 14.43 C ATOM 861 C CYS A 105 13.460 26.411 13.313 1.00 15.18 C ATOM 862 O CYS A 105 12.941 25.472 13.944 1.00 13.86 O ATOM 863 CB CYS A 105 11.373 26.357 11.857 1.00 14.13 C ATOM 864 SG CYS A 105 10.244 27.146 12.993 1.00 19.94 S ATOM 865 H CYS A 105 14.034 25.413 10.991 1.00 0.00 H ATOM 866 N PRO A 106 14.610 26.975 13.746 1.00 17.60 N ATOM 867 CA PRO A 106 15.304 26.359 14.864 1.00 18.87 C ATOM 868 C PRO A 106 14.634 26.564 16.200 1.00 18.71 C ATOM 869 O PRO A 106 13.894 27.485 16.345 1.00 19.14 O ATOM 870 CB PRO A 106 16.653 27.127 14.937 1.00 23.23 C ATOM 871 CG PRO A 106 16.652 28.160 13.883 1.00 22.88 C ATOM 872 CD PRO A 106 15.344 28.098 13.130 1.00 20.60 C ATOM 873 N ASP A 107 14.947 25.670 17.131 1.00 21.88 N ATOM 874 CA ASP A 107 14.558 25.891 18.544 1.00 23.17 C ATOM 875 C ASP A 107 13.063 26.074 18.728 1.00 22.98 C ATOM 876 O ASP A 107 12.594 26.982 19.439 1.00 23.92 O ATOM 877 CB ASP A 107 15.288 27.131 19.130 1.00 26.36 C ATOM 878 CG ASP A 107 15.132 27.214 20.677 1.00 30.79 C ATOM 879 OD1 ASP A 107 15.176 26.121 21.290 1.00 30.14 O ATOM 880 OD2 ASP A 107 14.901 28.333 21.222 1.00 36.27 O ATOM 881 H ASP A 107 15.468 24.810 16.867 1.00 0.00 H ATOM 882 N VAL A 108 12.244 25.205 18.123 1.00 18.39 N ATOM 883 CA VAL A 108 10.793 25.282 18.346 1.00 16.52 C ATOM 884 C VAL A 108 10.567 24.813 19.791 1.00 16.49 C ATOM 885 O VAL A 108 11.076 23.776 20.255 1.00 18.05 O ATOM 886 CB VAL A 108 10.002 24.372 17.342 1.00 16.76 C ATOM 887 CG1 VAL A 108 8.484 24.366 17.661 1.00 16.56 C ATOM 888 CG2 VAL A 108 10.304 24.731 15.911 1.00 17.75 C ATOM 889 H VAL A 108 12.635 24.474 17.494 1.00 0.00 H ATOM 890 N LYS A 109 9.771 25.606 20.494 1.00 14.73 N ATOM 891 CA LYS A 109 9.607 25.386 21.919 1.00 13.76 C ATOM 892 C LYS A 109 8.627 24.224 22.123 1.00 14.41 C ATOM 893 O LYS A 109 7.706 23.992 21.317 1.00 13.76 O ATOM 894 CB LYS A 109 9.019 26.630 22.570 1.00 14.64 C ATOM 895 CG LYS A 109 10.069 27.798 22.577 1.00 18.25 C ATOM 896 CD LYS A 109 9.454 29.065 23.095 1.00 20.06 C ATOM 897 CE LYS A 109 8.841 29.858 21.987 1.00 24.19 C ATOM 898 NZ LYS A 109 9.915 30.512 21.119 1.00 26.35 N ATOM 899 HZ1 LYS A 109 10.492 31.149 21.705 1.00 0.00 H ATOM 900 HZ2 LYS A 109 10.521 29.775 20.705 1.00 0.00 H ATOM 901 HZ3 LYS A 109 9.460 31.056 20.358 1.00 0.00 H ATOM 902 H LYS A 109 9.265 26.384 20.025 1.00 0.00 H ATOM 903 N TYR A 110 8.790 23.578 23.233 1.00 13.09 N ATOM 904 CA TYR A 110 7.933 22.476 23.681 1.00 12.55 C ATOM 905 C TYR A 110 6.624 23.087 24.157 1.00 13.05 C ATOM 906 O TYR A 110 6.563 24.117 24.896 1.00 13.45 O ATOM 907 CB TYR A 110 8.581 21.653 24.780 1.00 13.51 C ATOM 908 CG TYR A 110 9.641 20.662 24.355 1.00 13.84 C ATOM 909 CD1 TYR A 110 10.167 20.675 23.104 1.00 14.06 C ATOM 910 CD2 TYR A 110 10.116 19.742 25.239 1.00 15.32 C ATOM 911 CE1 TYR A 110 11.127 19.747 22.738 1.00 14.56 C ATOM 912 CE2 TYR A 110 11.067 18.814 24.913 1.00 17.13 C ATOM 913 CZ TYR A 110 11.563 18.829 23.663 1.00 17.52 C ATOM 914 OH TYR A 110 12.536 17.896 23.371 1.00 21.79 O ATOM 915 HH TYR A 110 12.822 18.003 22.429 1.00 0.00 H ATOM 916 H TYR A 110 9.581 23.859 23.847 1.00 0.00 H ATOM 917 N GLY A 111 5.488 22.499 23.714 1.00 11.60 N ATOM 918 CA GLY A 111 4.178 23.044 24.093 1.00 12.83 C ATOM 919 C GLY A 111 3.880 22.805 25.572 1.00 10.34 C ATOM 920 O GLY A 111 4.174 21.760 26.115 1.00 11.78 O ATOM 921 H GLY A 111 5.543 21.659 23.103 1.00 0.00 H ATOM 922 N LYS A 112 3.269 23.829 26.150 1.00 11.42 N ATOM 923 CA LYS A 112 2.682 23.658 27.453 1.00 12.40 C ATOM 924 C LYS A 112 1.346 22.941 27.300 1.00 11.68 C ATOM 925 O LYS A 112 0.994 22.026 28.093 1.00 13.64 O ATOM 926 CB LYS A 112 2.418 25.043 27.990 1.00 13.72 C ATOM 927 CG LYS A 112 1.693 25.161 29.350 1.00 17.71 C ATOM 928 CD LYS A 112 1.523 26.590 29.878 1.00 24.86 C ATOM 929 CE LYS A 112 0.441 26.695 30.966 1.00 32.09 C ATOM 930 NZ LYS A 112 0.366 28.112 31.550 1.00 33.05 N ATOM 931 HZ1 LYS A 112 1.283 28.361 31.972 1.00 0.00 H ATOM 932 HZ2 LYS A 112 0.138 28.786 30.792 1.00 0.00 H ATOM 933 HZ3 LYS A 112 -0.374 28.146 32.280 1.00 0.00 H ATOM 934 H LYS A 112 3.214 24.748 25.666 1.00 0.00 H ATOM 935 N ARG A 113 0.582 23.335 26.296 1.00 12.20 N ATOM 936 CA ARG A 113 -0.769 22.822 26.143 1.00 12.28 C ATOM 937 C ARG A 113 -1.197 23.079 24.687 1.00 12.85 C ATOM 938 O ARG A 113 -0.819 24.087 24.044 1.00 13.34 O ATOM 939 CB ARG A 113 -1.781 23.475 27.120 1.00 13.18 C ATOM 940 CG ARG A 113 -1.790 24.986 27.130 1.00 14.93 C ATOM 941 CD ARG A 113 -2.586 25.553 28.310 1.00 16.09 C ATOM 942 NE ARG A 113 -2.523 26.978 28.176 1.00 18.77 N ATOM 943 CZ ARG A 113 -3.319 27.868 28.729 1.00 21.79 C ATOM 944 NH1 ARG A 113 -4.322 27.481 29.520 1.00 23.02 N ATOM 945 NH2 ARG A 113 -3.122 29.150 28.405 1.00 23.82 N ATOM 946 HE ARG A 113 -1.762 27.351 27.573 1.00 0.00 H ATOM 947 HH12 ARG A 113 -4.946 28.191 29.953 1.00 0.00 H ATOM 948 HH11 ARG A 113 -4.479 26.469 29.703 1.00 0.00 H ATOM 949 HH22 ARG A 113 -3.726 29.889 28.817 1.00 0.00 H ATOM 950 HH21 ARG A 113 -2.364 29.408 27.741 1.00 0.00 H ATOM 951 H ARG A 113 0.952 24.021 25.607 1.00 0.00 H ATOM 952 N ILE A 114 -2.047 22.200 24.154 1.00 13.11 N ATOM 953 CA ILE A 114 -2.639 22.420 22.831 1.00 11.38 C ATOM 954 C ILE A 114 -4.153 22.064 22.964 1.00 11.73 C ATOM 955 O ILE A 114 -4.505 21.335 23.890 1.00 10.83 O ATOM 956 CB ILE A 114 -2.021 21.546 21.707 1.00 10.62 C ATOM 957 CG1 ILE A 114 -2.266 20.080 21.876 1.00 12.12 C ATOM 958 CG2 ILE A 114 -0.495 21.870 21.562 1.00 11.13 C ATOM 959 CD1 ILE A 114 -1.899 19.148 20.716 1.00 11.65 C ATOM 960 H ILE A 114 -2.295 21.342 24.687 1.00 0.00 H ATOM 961 N HIS A 115 -4.950 22.560 22.046 1.00 11.93 N ATOM 962 CA HIS A 115 -6.402 22.255 21.959 1.00 11.57 C ATOM 963 C HIS A 115 -6.733 21.863 20.554 1.00 10.40 C ATOM 964 O HIS A 115 -6.477 22.590 19.634 1.00 11.67 O ATOM 965 CB HIS A 115 -7.225 23.434 22.482 1.00 13.67 C ATOM 966 CG HIS A 115 -8.634 23.038 22.919 1.00 15.65 C ATOM 967 ND1 HIS A 115 -9.217 23.584 24.042 1.00 18.67 N ATOM 968 CD2 HIS A 115 -9.460 22.020 22.545 1.00 15.13 C ATOM 969 CE1 HIS A 115 -10.398 23.014 24.255 1.00 17.46 C ATOM 970 NE2 HIS A 115 -10.593 22.098 23.315 1.00 18.69 N ATOM 971 H HIS A 115 -4.542 23.204 21.339 1.00 0.00 H ATOM 972 N VAL A 116 -7.299 20.652 20.414 1.00 11.75 N ATOM 973 CA VAL A 116 -7.674 20.131 19.110 1.00 11.62 C ATOM 974 C VAL A 116 -9.117 19.727 19.166 1.00 11.45 C ATOM 975 O VAL A 116 -9.586 19.387 20.199 1.00 14.13 O ATOM 976 CB VAL A 116 -6.800 18.925 18.668 1.00 12.59 C ATOM 977 CG1 VAL A 116 -5.307 19.311 18.718 1.00 13.51 C ATOM 978 CG2 VAL A 116 -7.044 17.667 19.516 1.00 12.69 C ATOM 979 H VAL A 116 -7.473 20.073 21.260 1.00 0.00 H ATOM 980 N LEU A 117 -9.794 19.820 18.070 1.00 11.51 N ATOM 981 CA LEU A 117 -11.199 19.361 17.960 1.00 13.46 C ATOM 982 C LEU A 117 -11.350 18.513 16.662 1.00 13.12 C ATOM 983 O LEU A 117 -10.835 18.891 15.605 1.00 11.82 O ATOM 984 CB LEU A 117 -12.114 20.565 17.881 1.00 15.02 C ATOM 985 CG LEU A 117 -12.259 21.344 19.140 1.00 17.24 C ATOM 986 CD1 LEU A 117 -13.114 22.590 18.901 1.00 19.47 C ATOM 987 CD2 LEU A 117 -12.887 20.465 20.199 1.00 18.40 C ATOM 988 H LEU A 117 -9.336 20.233 17.233 1.00 0.00 H ATOM 989 N PRO A 118 -12.163 17.474 16.710 1.00 11.87 N ATOM 990 CA PRO A 118 -12.394 16.649 15.500 1.00 11.59 C ATOM 991 C PRO A 118 -13.287 17.374 14.520 1.00 12.10 C ATOM 992 O PRO A 118 -14.145 18.163 14.867 1.00 11.48 O ATOM 993 CB PRO A 118 -13.172 15.440 16.041 1.00 10.98 C ATOM 994 CG PRO A 118 -13.933 16.034 17.210 1.00 11.26 C ATOM 995 CD PRO A 118 -12.901 16.942 17.866 1.00 13.07 C ATOM 996 N ILE A 119 -13.113 17.042 13.238 1.00 12.04 N ATOM 997 CA ILE A 119 -14.039 17.482 12.195 1.00 12.73 C ATOM 998 C ILE A 119 -15.299 16.569 12.245 1.00 12.69 C ATOM 999 O ILE A 119 -15.167 15.372 12.262 1.00 12.39 O ATOM 1000 CB ILE A 119 -13.379 17.430 10.798 1.00 14.77 C ATOM 1001 CG1 ILE A 119 -12.130 18.277 10.766 1.00 19.81 C ATOM 1002 CG2 ILE A 119 -14.406 17.741 9.695 1.00 15.01 C ATOM 1003 CD1 ILE A 119 -12.331 19.690 11.018 1.00 24.08 C ATOM 1004 H ILE A 119 -12.296 16.454 12.974 1.00 0.00 H ATOM 1005 N ASP A 120 -16.495 17.218 12.297 1.00 13.58 N ATOM 1006 CA ASP A 120 -17.762 16.512 12.537 1.00 14.23 C ATOM 1007 C ASP A 120 -18.001 15.296 11.663 1.00 11.68 C ATOM 1008 O ASP A 120 -18.338 14.260 12.256 1.00 12.59 O ATOM 1009 CB ASP A 120 -18.969 17.458 12.515 1.00 15.33 C ATOM 1010 CG ASP A 120 -19.073 18.288 11.309 1.00 17.05 C ATOM 1011 OD1 ASP A 120 -18.533 18.084 10.223 1.00 16.67 O ATOM 1012 OD2 ASP A 120 -19.908 19.268 11.497 1.00 22.79 O ATOM 1013 H ASP A 120 -16.513 18.249 12.162 1.00 0.00 H ATOM 1014 N ASP A 121 -17.803 15.404 10.339 1.00 12.68 N ATOM 1015 CA ASP A 121 -18.126 14.270 9.470 1.00 12.72 C ATOM 1016 C ASP A 121 -17.157 13.098 9.611 1.00 14.41 C ATOM 1017 O ASP A 121 -17.323 12.058 8.981 1.00 15.89 O ATOM 1018 CB ASP A 121 -18.329 14.648 8.008 1.00 14.02 C ATOM 1019 CG ASP A 121 -17.124 15.173 7.337 1.00 16.46 C ATOM 1020 OD1 ASP A 121 -16.063 14.654 7.622 1.00 16.55 O ATOM 1021 OD2 ASP A 121 -17.203 16.101 6.493 1.00 22.88 O ATOM 1022 H ASP A 121 -17.424 16.284 9.935 1.00 0.00 H ATOM 1023 N THR A 122 -16.080 13.318 10.398 1.00 10.88 N ATOM 1024 CA THR A 122 -15.116 12.212 10.638 1.00 10.07 C ATOM 1025 C THR A 122 -15.363 11.462 11.955 1.00 10.81 C ATOM 1026 O THR A 122 -14.837 10.409 12.254 1.00 11.61 O ATOM 1027 CB THR A 122 -13.624 12.666 10.563 1.00 10.39 C ATOM 1028 OG1 THR A 122 -13.263 13.396 11.726 1.00 9.79 O ATOM 1029 CG2 THR A 122 -13.332 13.425 9.350 1.00 10.14 C ATOM 1030 HG1 THR A 122 -13.839 14.198 11.803 1.00 0.00 H ATOM 1031 H THR A 122 -15.927 14.251 10.831 1.00 0.00 H ATOM 1032 N VAL A 123 -16.223 12.030 12.830 1.00 10.93 N ATOM 1033 CA VAL A 123 -16.565 11.456 14.112 1.00 12.16 C ATOM 1034 C VAL A 123 -18.082 11.185 14.292 1.00 12.07 C ATOM 1035 O VAL A 123 -18.467 10.643 15.326 1.00 13.16 O ATOM 1036 CB VAL A 123 -16.059 12.276 15.296 1.00 11.63 C ATOM 1037 CG1 VAL A 123 -14.540 12.290 15.361 1.00 11.82 C ATOM 1038 CG2 VAL A 123 -16.582 13.691 15.316 1.00 12.18 C ATOM 1039 H VAL A 123 -16.665 12.933 12.565 1.00 0.00 H ATOM 1040 N GLU A 124 -18.887 11.489 13.271 1.00 11.27 N ATOM 1041 CA GLU A 124 -20.328 11.223 13.378 1.00 11.61 C ATOM 1042 C GLU A 124 -20.603 9.799 13.676 1.00 12.76 C ATOM 1043 O GLU A 124 -20.065 8.870 13.031 1.00 12.45 O ATOM 1044 CB GLU A 124 -21.004 11.698 12.135 1.00 11.29 C ATOM 1045 CG GLU A 124 -22.563 11.571 12.280 1.00 11.79 C ATOM 1046 CD GLU A 124 -23.210 12.460 13.342 1.00 13.31 C ATOM 1047 OE1 GLU A 124 -22.757 13.630 13.540 1.00 13.47 O ATOM 1048 OE2 GLU A 124 -24.265 11.997 13.838 1.00 12.32 O ATOM 1049 H GLU A 124 -18.496 11.912 12.405 1.00 0.00 H ATOM 1050 N GLY A 125 -21.337 9.541 14.727 1.00 13.32 N ATOM 1051 CA GLY A 125 -21.545 8.172 15.159 1.00 12.75 C ATOM 1052 C GLY A 125 -20.551 7.397 15.919 1.00 14.37 C ATOM 1053 O GLY A 125 -20.765 6.315 16.436 1.00 18.52 O ATOM 1054 H GLY A 125 -21.774 10.322 15.256 1.00 0.00 H ATOM 1055 N ILE A 126 -19.364 8.000 16.151 1.00 13.63 N ATOM 1056 CA ILE A 126 -18.374 7.342 16.792 1.00 14.53 C ATOM 1057 C ILE A 126 -18.659 7.247 18.318 1.00 15.64 C ATOM 1058 O ILE A 126 -19.331 8.116 18.948 1.00 16.93 O ATOM 1059 CB ILE A 126 -16.997 8.100 16.658 1.00 16.51 C ATOM 1060 CG1 ILE A 126 -15.790 7.278 16.650 1.00 18.74 C ATOM 1061 CG2 ILE A 126 -16.843 9.200 17.681 1.00 17.53 C ATOM 1062 CD1 ILE A 126 -14.669 7.985 15.813 1.00 19.00 C ATOM 1063 H ILE A 126 -19.212 8.979 15.833 1.00 0.00 H ATOM 1064 N THR A 127 -18.205 6.177 18.931 1.00 17.62 N ATOM 1065 CA THR A 127 -18.276 5.977 20.299 1.00 19.28 C ATOM 1066 C THR A 127 -16.828 5.755 20.720 1.00 21.99 C ATOM 1067 O THR A 127 -16.055 5.126 19.998 1.00 23.92 O ATOM 1068 CB THR A 127 -19.089 4.724 20.722 1.00 19.72 C ATOM 1069 OG1 THR A 127 -20.342 4.674 20.028 1.00 21.11 O ATOM 1070 CG2 THR A 127 -19.318 4.726 22.201 1.00 23.77 C ATOM 1071 HG1 THR A 127 -20.869 5.485 20.242 1.00 0.00 H ATOM 1072 H THR A 127 -17.765 5.434 18.352 1.00 0.00 H ATOM 1073 N GLY A 128 -16.468 6.298 21.832 1.00 21.76 N ATOM 1074 CA GLY A 128 -15.107 5.965 22.286 1.00 24.53 C ATOM 1075 C GLY A 128 -14.280 7.188 22.483 1.00 24.94 C ATOM 1076 O GLY A 128 -14.598 8.293 22.007 1.00 28.02 O ATOM 1077 H GLY A 128 -17.095 6.928 22.372 1.00 0.00 H ATOM 1078 N ASN A 129 -13.257 7.001 23.323 1.00 23.69 N ATOM 1079 CA ASN A 129 -12.458 8.080 23.792 1.00 25.33 C ATOM 1080 C ASN A 129 -11.449 8.466 22.704 1.00 21.15 C ATOM 1081 O ASN A 129 -10.603 7.637 22.369 1.00 20.01 O ATOM 1082 CB ASN A 129 -11.723 7.574 25.052 1.00 25.99 C ATOM 1083 CG ASN A 129 -10.885 8.634 25.723 1.00 28.69 C ATOM 1084 OD1 ASN A 129 -10.147 9.339 25.082 1.00 25.78 O ATOM 1085 ND2 ASN A 129 -10.970 8.712 27.031 1.00 34.59 N ATOM 1086 HD22 ASN A 129 -11.619 8.086 27.548 1.00 0.00 H ATOM 1087 HD21 ASN A 129 -10.388 9.400 27.550 1.00 0.00 H ATOM 1088 H ASN A 129 -13.039 6.036 23.644 1.00 0.00 H ATOM 1089 N LEU A 130 -11.570 9.695 22.195 1.00 21.10 N ATOM 1090 CA LEU A 130 -10.780 10.137 21.045 1.00 17.25 C ATOM 1091 C LEU A 130 -9.341 10.288 21.497 1.00 17.00 C ATOM 1092 O LEU A 130 -8.423 9.977 20.734 1.00 15.42 O ATOM 1093 CB LEU A 130 -11.282 11.469 20.489 1.00 18.27 C ATOM 1094 CG LEU A 130 -12.715 11.496 19.817 1.00 20.22 C ATOM 1095 CD1 LEU A 130 -12.946 12.859 19.168 1.00 19.97 C ATOM 1096 CD2 LEU A 130 -12.903 10.393 18.795 1.00 22.17 C ATOM 1097 H LEU A 130 -12.245 10.357 22.628 1.00 0.00 H ATOM 1098 N PHE A 131 -9.118 10.703 22.733 1.00 15.59 N ATOM 1099 CA PHE A 131 -7.711 10.778 23.205 1.00 15.97 C ATOM 1100 C PHE A 131 -7.037 9.429 23.255 1.00 16.97 C ATOM 1101 O PHE A 131 -5.937 9.237 22.753 1.00 14.93 O ATOM 1102 CB PHE A 131 -7.685 11.479 24.564 1.00 16.67 C ATOM 1103 CG PHE A 131 -6.302 11.541 25.178 1.00 17.83 C ATOM 1104 CD1 PHE A 131 -5.386 12.450 24.653 1.00 16.59 C ATOM 1105 CD2 PHE A 131 -5.877 10.695 26.198 1.00 17.83 C ATOM 1106 CE1 PHE A 131 -4.104 12.499 25.125 1.00 15.21 C ATOM 1107 CE2 PHE A 131 -4.576 10.769 26.688 1.00 17.01 C ATOM 1108 CZ PHE A 131 -3.702 11.690 26.165 1.00 18.17 C ATOM 1109 H PHE A 131 -9.906 10.970 23.357 1.00 0.00 H ATOM 1110 N GLU A 132 -7.664 8.390 23.865 1.00 16.42 N ATOM 1111 CA GLU A 132 -7.048 7.087 23.889 1.00 16.92 C ATOM 1112 C GLU A 132 -6.879 6.369 22.613 1.00 15.90 C ATOM 1113 O GLU A 132 -5.892 5.709 22.355 1.00 19.20 O ATOM 1114 CB GLU A 132 -7.855 6.203 24.876 1.00 20.39 C ATOM 1115 CG GLU A 132 -7.682 6.680 26.321 1.00 24.21 C ATOM 1116 CD GLU A 132 -6.274 6.558 26.906 1.00 27.91 C ATOM 1117 OE1 GLU A 132 -5.522 5.586 26.583 1.00 33.08 O ATOM 1118 OE2 GLU A 132 -5.940 7.459 27.685 1.00 30.05 O ATOM 1119 H GLU A 132 -8.590 8.535 24.316 1.00 0.00 H ATOM 1120 N VAL A 133 -7.885 6.449 21.731 1.00 14.80 N ATOM 1121 CA VAL A 133 -7.825 5.725 20.479 1.00 16.33 C ATOM 1122 C VAL A 133 -6.929 6.412 19.473 1.00 12.81 C ATOM 1123 O VAL A 133 -6.237 5.750 18.709 1.00 14.45 O ATOM 1124 CB VAL A 133 -9.248 5.434 19.826 1.00 17.47 C ATOM 1125 CG1 VAL A 133 -9.112 4.842 18.438 1.00 15.91 C ATOM 1126 CG2 VAL A 133 -9.959 4.455 20.661 1.00 19.57 C ATOM 1127 H VAL A 133 -8.716 7.036 21.948 1.00 0.00 H ATOM 1128 N TYR A 134 -7.031 7.760 19.408 1.00 12.30 N ATOM 1129 CA TYR A 134 -6.436 8.507 18.299 1.00 11.87 C ATOM 1130 C TYR A 134 -5.212 9.365 18.750 1.00 10.68 C ATOM 1131 O TYR A 134 -4.107 9.134 18.321 1.00 11.46 O ATOM 1132 CB TYR A 134 -7.442 9.403 17.612 1.00 12.14 C ATOM 1133 CG TYR A 134 -8.489 8.582 16.879 1.00 12.62 C ATOM 1134 CD1 TYR A 134 -8.242 8.000 15.597 1.00 11.70 C ATOM 1135 CD2 TYR A 134 -9.680 8.388 17.499 1.00 11.75 C ATOM 1136 CE1 TYR A 134 -9.239 7.212 14.995 1.00 12.62 C ATOM 1137 CE2 TYR A 134 -10.649 7.589 16.892 1.00 12.50 C ATOM 1138 CZ TYR A 134 -10.435 7.064 15.677 1.00 12.01 C ATOM 1139 OH TYR A 134 -11.405 6.256 15.030 1.00 14.26 O ATOM 1140 HH TYR A 134 -11.058 5.968 14.148 1.00 0.00 H ATOM 1141 H TYR A 134 -7.539 8.272 20.157 1.00 0.00 H ATOM 1142 N LEU A 135 -5.478 10.312 19.708 1.00 9.70 N ATOM 1143 CA LEU A 135 -4.441 11.351 19.943 1.00 9.12 C ATOM 1144 C LEU A 135 -3.240 10.817 20.697 1.00 9.50 C ATOM 1145 O LEU A 135 -2.098 11.178 20.381 1.00 9.84 O ATOM 1146 CB LEU A 135 -5.098 12.532 20.686 1.00 9.27 C ATOM 1147 CG LEU A 135 -6.240 13.223 19.898 1.00 10.37 C ATOM 1148 CD1 LEU A 135 -6.953 14.239 20.704 1.00 11.69 C ATOM 1149 CD2 LEU A 135 -5.706 13.833 18.644 1.00 11.15 C ATOM 1150 H LEU A 135 -6.368 10.303 20.247 1.00 0.00 H ATOM 1151 N LYS A 136 -3.495 10.018 21.751 1.00 9.80 N ATOM 1152 CA LYS A 136 -2.400 9.549 22.571 1.00 12.36 C ATOM 1153 C LYS A 136 -1.446 8.697 21.750 1.00 11.05 C ATOM 1154 O LYS A 136 -0.257 8.995 21.697 1.00 11.68 O ATOM 1155 CB LYS A 136 -2.849 8.844 23.851 1.00 15.25 C ATOM 1156 CG LYS A 136 -1.666 8.555 24.707 1.00 18.62 C ATOM 1157 CD LYS A 136 -2.072 7.857 26.027 1.00 19.98 C ATOM 1158 CE LYS A 136 -0.785 7.333 26.692 1.00 25.34 C ATOM 1159 NZ LYS A 136 -1.047 6.958 28.101 1.00 28.07 N ATOM 1160 HZ1 LYS A 136 -1.383 7.792 28.624 1.00 0.00 H ATOM 1161 HZ2 LYS A 136 -1.772 6.213 28.131 1.00 0.00 H ATOM 1162 HZ3 LYS A 136 -0.169 6.607 28.534 1.00 0.00 H ATOM 1163 H LYS A 136 -4.472 9.740 21.973 1.00 0.00 H ATOM 1164 N PRO A 137 -1.887 7.740 20.929 1.00 11.68 N ATOM 1165 CA PRO A 137 -0.903 6.950 20.188 1.00 11.52 C ATOM 1166 C PRO A 137 -0.174 7.766 19.099 1.00 11.88 C ATOM 1167 O PRO A 137 0.988 7.593 18.829 1.00 12.89 O ATOM 1168 CB PRO A 137 -1.741 5.828 19.562 1.00 13.15 C ATOM 1169 CG PRO A 137 -2.963 5.759 20.407 1.00 14.39 C ATOM 1170 CD PRO A 137 -3.229 7.119 20.917 1.00 12.18 C ATOM 1171 N TYR A 138 -0.887 8.735 18.564 1.00 10.71 N ATOM 1172 CA TYR A 138 -0.346 9.647 17.541 1.00 9.49 C ATOM 1173 C TYR A 138 0.829 10.504 18.076 1.00 9.29 C ATOM 1174 O TYR A 138 1.837 10.647 17.446 1.00 10.48 O ATOM 1175 CB TYR A 138 -1.438 10.554 16.957 1.00 8.78 C ATOM 1176 CG TYR A 138 -1.030 11.489 15.853 1.00 7.98 C ATOM 1177 CD1 TYR A 138 -0.704 11.030 14.584 1.00 9.10 C ATOM 1178 CD2 TYR A 138 -0.979 12.828 16.045 1.00 8.17 C ATOM 1179 CE1 TYR A 138 -0.401 11.846 13.593 1.00 8.65 C ATOM 1180 CE2 TYR A 138 -0.638 13.687 15.084 1.00 8.02 C ATOM 1181 CZ TYR A 138 -0.390 13.198 13.804 1.00 8.72 C ATOM 1182 OH TYR A 138 -0.096 14.105 12.759 1.00 9.98 O ATOM 1183 HH TYR A 138 0.719 14.618 12.988 1.00 0.00 H ATOM 1184 H TYR A 138 -1.871 8.862 18.876 1.00 0.00 H ATOM 1185 N PHE A 139 0.599 11.044 19.255 1.00 9.59 N ATOM 1186 CA PHE A 139 1.588 11.949 19.823 1.00 9.34 C ATOM 1187 C PHE A 139 2.599 11.320 20.762 1.00 11.93 C ATOM 1188 O PHE A 139 3.710 11.861 20.948 1.00 11.40 O ATOM 1189 CB PHE A 139 0.899 13.083 20.545 1.00 9.10 C ATOM 1190 CG PHE A 139 0.181 14.062 19.664 1.00 9.50 C ATOM 1191 CD1 PHE A 139 0.869 14.817 18.727 1.00 9.30 C ATOM 1192 CD2 PHE A 139 -1.197 14.296 19.798 1.00 9.76 C ATOM 1193 CE1 PHE A 139 0.234 15.741 17.961 1.00 9.33 C ATOM 1194 CE2 PHE A 139 -1.811 15.248 19.007 1.00 9.87 C ATOM 1195 CZ PHE A 139 -1.141 15.932 18.074 1.00 9.99 C ATOM 1196 H PHE A 139 -0.276 10.827 19.773 1.00 0.00 H ATOM 1197 N LEU A 140 2.344 10.148 21.259 1.00 10.72 N ATOM 1198 CA LEU A 140 3.194 9.577 22.314 1.00 13.21 C ATOM 1199 C LEU A 140 4.622 9.413 21.934 1.00 12.82 C ATOM 1200 O LEU A 140 4.956 8.668 20.982 1.00 13.27 O ATOM 1201 CB LEU A 140 2.610 8.244 22.778 1.00 12.88 C ATOM 1202 CG LEU A 140 3.332 7.524 23.886 1.00 14.61 C ATOM 1203 CD1 LEU A 140 3.115 8.307 25.159 1.00 17.03 C ATOM 1204 CD2 LEU A 140 2.730 6.164 24.097 1.00 13.56 C ATOM 1205 H LEU A 140 1.529 9.607 20.907 1.00 0.00 H ATOM 1206 N GLU A 141 5.493 10.090 22.731 1.00 14.72 N ATOM 1207 CA GLU A 141 6.951 10.044 22.512 1.00 15.39 C ATOM 1208 C GLU A 141 7.406 10.320 21.067 1.00 13.59 C ATOM 1209 O GLU A 141 8.502 9.992 20.635 1.00 14.74 O ATOM 1210 CB GLU A 141 7.533 8.679 22.953 1.00 19.02 C ATOM 1211 CG GLU A 141 7.438 8.501 24.428 1.00 24.74 C ATOM 1212 CD GLU A 141 8.454 9.409 25.088 1.00 30.75 C ATOM 1213 OE1 GLU A 141 9.615 9.510 24.561 1.00 31.78 O ATOM 1214 OE2 GLU A 141 8.036 10.039 26.085 1.00 37.89 O ATOM 1215 H GLU A 141 5.119 10.657 23.519 1.00 0.00 H ATOM 1216 N ALA A 142 6.572 11.029 20.275 1.00 11.62 N ATOM 1217 CA ALA A 142 6.929 11.310 18.927 1.00 11.18 C ATOM 1218 C ALA A 142 7.482 12.714 18.623 1.00 10.37 C ATOM 1219 O ALA A 142 8.048 12.959 17.595 1.00 12.61 O ATOM 1220 CB ALA A 142 5.680 11.063 18.038 1.00 12.94 C ATOM 1221 H ALA A 142 5.665 11.371 20.652 1.00 0.00 H ATOM 1222 N TYR A 143 7.304 13.607 19.621 1.00 11.33 N ATOM 1223 CA TYR A 143 7.810 14.987 19.482 1.00 11.27 C ATOM 1224 C TYR A 143 7.444 15.652 18.174 1.00 10.22 C ATOM 1225 O TYR A 143 8.197 16.349 17.477 1.00 11.64 O ATOM 1226 CB TYR A 143 9.342 15.037 19.735 1.00 10.98 C ATOM 1227 CG TYR A 143 9.751 14.596 21.089 1.00 12.27 C ATOM 1228 CD1 TYR A 143 9.851 13.276 21.420 1.00 12.94 C ATOM 1229 CD2 TYR A 143 10.019 15.563 22.051 1.00 15.59 C ATOM 1230 CE1 TYR A 143 10.212 12.882 22.690 1.00 15.22 C ATOM 1231 CE2 TYR A 143 10.440 15.187 23.285 1.00 16.38 C ATOM 1232 CZ TYR A 143 10.476 13.888 23.631 1.00 16.44 C ATOM 1233 OH TYR A 143 10.938 13.641 25.002 1.00 20.48 O ATOM 1234 HH TYR A 143 10.936 12.667 25.179 1.00 0.00 H ATOM 1235 H TYR A 143 6.809 13.321 20.490 1.00 0.00 H ATOM 1236 N ARG A 144 6.142 15.495 17.837 1.00 8.69 N ATOM 1237 CA ARG A 144 5.655 16.103 16.601 1.00 9.33 C ATOM 1238 C ARG A 144 5.556 17.666 16.681 1.00 8.94 C ATOM 1239 O ARG A 144 4.952 18.167 17.636 1.00 9.50 O ATOM 1240 CB ARG A 144 4.257 15.564 16.255 1.00 8.99 C ATOM 1241 CG ARG A 144 4.210 14.092 15.992 1.00 10.18 C ATOM 1242 CD ARG A 144 2.812 13.565 15.570 1.00 10.05 C ATOM 1243 NE ARG A 144 2.893 12.207 15.171 1.00 8.98 N ATOM 1244 CZ ARG A 144 3.275 11.824 13.957 1.00 9.99 C ATOM 1245 NH1 ARG A 144 3.634 12.670 13.030 1.00 9.89 N ATOM 1246 NH2 ARG A 144 3.344 10.531 13.693 1.00 12.18 N ATOM 1247 HE ARG A 144 2.641 11.473 15.863 1.00 0.00 H ATOM 1248 HH12 ARG A 144 3.925 12.323 12.094 1.00 0.00 H ATOM 1249 HH11 ARG A 144 3.629 13.691 13.227 1.00 0.00 H ATOM 1250 HH22 ARG A 144 3.640 10.208 12.750 1.00 0.00 H ATOM 1251 HH21 ARG A 144 3.102 9.836 14.428 1.00 0.00 H ATOM 1252 H ARG A 144 5.500 14.951 18.448 1.00 0.00 H ATOM 1253 N PRO A 145 6.043 18.404 15.700 1.00 9.67 N ATOM 1254 CA PRO A 145 5.731 19.787 15.596 1.00 9.76 C ATOM 1255 C PRO A 145 4.307 19.960 15.106 1.00 11.08 C ATOM 1256 O PRO A 145 3.838 19.185 14.269 1.00 15.02 O ATOM 1257 CB PRO A 145 6.749 20.298 14.609 1.00 10.89 C ATOM 1258 CG PRO A 145 6.995 19.149 13.695 1.00 11.57 C ATOM 1259 CD PRO A 145 6.801 17.912 14.531 1.00 10.39 C ATOM 1260 N ILE A 146 3.637 21.003 15.558 1.00 9.74 N ATOM 1261 CA ILE A 146 2.308 21.295 15.105 1.00 10.75 C ATOM 1262 C ILE A 146 2.063 22.818 15.072 1.00 11.75 C ATOM 1263 O ILE A 146 2.747 23.588 15.760 1.00 13.52 O ATOM 1264 CB ILE A 146 1.306 20.604 16.056 1.00 14.08 C ATOM 1265 CG1 ILE A 146 0.027 20.177 15.366 1.00 18.59 C ATOM 1266 CG2 ILE A 146 1.160 21.361 17.363 1.00 13.68 C ATOM 1267 CD1 ILE A 146 -0.613 18.976 16.041 1.00 21.11 C ATOM 1268 H ILE A 146 4.083 21.628 16.259 1.00 0.00 H ATOM 1269 N ARG A 147 1.091 23.223 14.284 1.00 10.80 N ATOM 1270 CA ARG A 147 0.783 24.665 14.147 1.00 10.18 C ATOM 1271 C ARG A 147 -0.715 24.862 14.288 1.00 10.43 C ATOM 1272 O ARG A 147 -1.565 24.131 13.781 1.00 10.91 O ATOM 1273 CB ARG A 147 1.155 25.151 12.775 1.00 10.64 C ATOM 1274 CG ARG A 147 1.104 26.682 12.688 1.00 11.44 C ATOM 1275 CD ARG A 147 1.305 27.198 11.296 1.00 13.33 C ATOM 1276 NE ARG A 147 1.420 28.694 11.233 1.00 15.63 N ATOM 1277 CZ ARG A 147 0.534 29.609 11.684 1.00 21.13 C ATOM 1278 NH1 ARG A 147 -0.694 29.311 12.141 1.00 20.63 N ATOM 1279 NH2 ARG A 147 0.869 30.889 11.601 1.00 22.23 N ATOM 1280 HE ARG A 147 2.283 29.070 10.790 1.00 0.00 H ATOM 1281 HH12 ARG A 147 -1.323 30.069 12.473 1.00 0.00 H ATOM 1282 HH11 ARG A 147 -1.015 28.322 12.163 1.00 0.00 H ATOM 1283 HH22 ARG A 147 0.212 31.621 11.938 1.00 0.00 H ATOM 1284 HH21 ARG A 147 1.789 31.161 11.199 1.00 0.00 H ATOM 1285 H ARG A 147 0.534 22.524 13.752 1.00 0.00 H ATOM 1286 N LYS A 148 -1.097 25.930 15.005 1.00 11.23 N ATOM 1287 CA LYS A 148 -2.431 26.399 15.002 1.00 11.39 C ATOM 1288 C LYS A 148 -3.015 26.444 13.610 1.00 13.10 C ATOM 1289 O LYS A 148 -2.361 27.001 12.699 1.00 13.36 O ATOM 1290 CB LYS A 148 -2.496 27.874 15.624 1.00 13.46 C ATOM 1291 CG LYS A 148 -3.903 28.406 15.803 1.00 14.16 C ATOM 1292 CD LYS A 148 -3.854 29.842 16.401 1.00 17.71 C ATOM 1293 CE LYS A 148 -5.238 30.358 16.473 1.00 20.43 C ATOM 1294 NZ LYS A 148 -5.200 31.563 17.392 1.00 25.81 N ATOM 1295 HZ1 LYS A 148 -4.862 31.271 18.331 1.00 0.00 H ATOM 1296 HZ2 LYS A 148 -4.556 32.278 16.998 1.00 0.00 H ATOM 1297 HZ3 LYS A 148 -6.156 31.964 17.475 1.00 0.00 H ATOM 1298 H LYS A 148 -0.389 26.429 15.581 1.00 0.00 H ATOM 1299 N GLY A 149 -4.231 25.962 13.422 1.00 12.35 N ATOM 1300 CA GLY A 149 -4.874 25.905 12.196 1.00 12.25 C ATOM 1301 C GLY A 149 -4.652 24.612 11.369 1.00 11.50 C ATOM 1302 O GLY A 149 -5.307 24.419 10.356 1.00 13.42 O ATOM 1303 H GLY A 149 -4.741 25.600 14.253 1.00 0.00 H ATOM 1304 N ASP A 150 -3.668 23.816 11.740 1.00 11.59 N ATOM 1305 CA ASP A 150 -3.434 22.546 11.063 1.00 10.16 C ATOM 1306 C ASP A 150 -4.698 21.644 11.193 1.00 10.25 C ATOM 1307 O ASP A 150 -5.346 21.621 12.272 1.00 11.65 O ATOM 1308 CB ASP A 150 -2.309 21.763 11.741 1.00 9.22 C ATOM 1309 CG ASP A 150 -0.865 22.226 11.449 1.00 10.30 C ATOM 1310 OD1 ASP A 150 -0.684 23.085 10.538 1.00 14.70 O ATOM 1311 OD2 ASP A 150 0.001 21.617 12.080 1.00 10.56 O ATOM 1312 H ASP A 150 -3.050 24.098 12.527 1.00 0.00 H ATOM 1313 N ILE A 151 -4.935 20.903 10.132 1.00 9.78 N ATOM 1314 CA ILE A 151 -5.811 19.789 10.201 1.00 9.66 C ATOM 1315 C ILE A 151 -4.941 18.555 9.979 1.00 10.34 C ATOM 1316 O ILE A 151 -4.096 18.526 9.077 1.00 10.53 O ATOM 1317 CB ILE A 151 -6.937 19.835 9.184 1.00 10.66 C ATOM 1318 CG1 ILE A 151 -7.872 21.002 9.536 1.00 12.80 C ATOM 1319 CG2 ILE A 151 -7.686 18.461 9.114 1.00 10.97 C ATOM 1320 CD1 ILE A 151 -8.952 21.171 8.494 1.00 14.75 C ATOM 1321 H ILE A 151 -4.474 21.137 9.230 1.00 0.00 H ATOM 1322 N PHE A 152 -5.102 17.540 10.828 1.00 8.95 N ATOM 1323 CA PHE A 152 -4.304 16.305 10.710 1.00 8.50 C ATOM 1324 C PHE A 152 -5.180 15.091 10.881 1.00 8.93 C ATOM 1325 O PHE A 152 -6.189 15.109 11.537 1.00 9.55 O ATOM 1326 CB PHE A 152 -3.132 16.316 11.695 1.00 9.24 C ATOM 1327 CG PHE A 152 -3.475 16.328 13.146 1.00 9.00 C ATOM 1328 CD1 PHE A 152 -3.832 17.526 13.780 1.00 9.00 C ATOM 1329 CD2 PHE A 152 -3.600 15.178 13.918 1.00 8.31 C ATOM 1330 CE1 PHE A 152 -4.135 17.546 15.140 1.00 8.91 C ATOM 1331 CE2 PHE A 152 -3.887 15.221 15.253 1.00 9.03 C ATOM 1332 CZ PHE A 152 -4.190 16.384 15.894 1.00 8.52 C ATOM 1333 H PHE A 152 -5.805 17.621 11.590 1.00 0.00 H ATOM 1334 N LEU A 153 -4.791 14.038 10.146 1.00 9.51 N ATOM 1335 CA LEU A 153 -5.558 12.786 10.042 1.00 9.56 C ATOM 1336 C LEU A 153 -4.889 11.766 10.887 1.00 10.19 C ATOM 1337 O LEU A 153 -3.676 11.544 10.760 1.00 11.13 O ATOM 1338 CB LEU A 153 -5.589 12.337 8.590 1.00 10.39 C ATOM 1339 CG LEU A 153 -6.328 11.017 8.262 1.00 13.41 C ATOM 1340 CD1 LEU A 153 -7.767 11.234 8.356 1.00 17.03 C ATOM 1341 CD2 LEU A 153 -5.991 10.625 6.809 1.00 18.22 C ATOM 1342 H LEU A 153 -3.897 14.111 9.620 1.00 0.00 H ATOM 1343 N VAL A 154 -5.675 11.092 11.733 1.00 9.93 N ATOM 1344 CA VAL A 154 -5.206 10.045 12.583 1.00 10.82 C ATOM 1345 C VAL A 154 -5.940 8.722 12.377 1.00 13.33 C ATOM 1346 O VAL A 154 -7.150 8.721 12.367 1.00 12.30 O ATOM 1347 CB VAL A 154 -5.302 10.435 14.035 1.00 12.89 C ATOM 1348 CG1 VAL A 154 -4.614 9.448 14.877 1.00 13.01 C ATOM 1349 CG2 VAL A 154 -4.639 11.828 14.283 1.00 13.19 C ATOM 1350 H VAL A 154 -6.683 11.344 11.774 1.00 0.00 H ATOM 1351 N ARG A 155 -5.173 7.652 12.187 1.00 15.37 N ATOM 1352 CA ARG A 155 -5.771 6.297 12.080 1.00 17.76 C ATOM 1353 C ARG A 155 -5.995 5.718 13.458 1.00 19.92 C ATOM 1354 O ARG A 155 -5.297 5.970 14.476 1.00 20.09 O ATOM 1355 CB ARG A 155 -4.862 5.389 11.303 1.00 23.28 C ATOM 1356 CG ARG A 155 -4.424 5.916 9.938 1.00 29.77 C ATOM 1357 CD ARG A 155 -5.525 6.063 8.936 1.00 34.43 C ATOM 1358 NE ARG A 155 -4.979 6.602 7.676 1.00 42.39 N ATOM 1359 CZ ARG A 155 -5.670 6.742 6.544 1.00 38.91 C ATOM 1360 NH1 ARG A 155 -6.946 6.392 6.484 1.00 38.38 N ATOM 1361 NH2 ARG A 155 -5.079 7.263 5.476 1.00 45.66 N ATOM 1362 HE ARG A 155 -3.981 6.895 7.670 1.00 0.00 H ATOM 1363 HH12 ARG A 155 -7.475 6.506 5.596 1.00 0.00 H ATOM 1364 HH11 ARG A 155 -7.419 6.004 7.325 1.00 0.00 H ATOM 1365 HH22 ARG A 155 -5.612 7.375 4.590 1.00 0.00 H ATOM 1366 HH21 ARG A 155 -4.083 7.559 5.525 1.00 0.00 H ATOM 1367 H ARG A 155 -4.142 7.766 12.112 1.00 0.00 H ATOM 1368 N GLY A 156 -7.026 4.949 13.567 1.00 19.18 N ATOM 1369 CA GLY A 156 -7.248 4.206 14.793 1.00 18.75 C ATOM 1370 C GLY A 156 -8.601 3.602 14.719 1.00 19.42 C ATOM 1371 O GLY A 156 -9.358 3.943 13.816 1.00 16.33 O ATOM 1372 H GLY A 156 -7.697 4.862 12.777 1.00 0.00 H ATOM 1373 N GLY A 157 -8.906 2.715 15.676 1.00 18.75 N ATOM 1374 CA GLY A 157 -10.249 2.092 15.692 1.00 16.79 C ATOM 1375 C GLY A 157 -10.664 1.609 14.332 1.00 16.21 C ATOM 1376 O GLY A 157 -9.854 0.911 13.667 1.00 18.42 O ATOM 1377 H GLY A 157 -8.204 2.466 16.402 1.00 0.00 H ATOM 1378 N MET A 158 -11.937 1.881 14.016 1.00 14.95 N ATOM 1379 CA MET A 158 -12.541 1.532 12.716 1.00 15.15 C ATOM 1380 C MET A 158 -12.366 2.488 11.605 1.00 16.94 C ATOM 1381 O MET A 158 -12.696 2.184 10.413 1.00 17.37 O ATOM 1382 CB MET A 158 -14.082 1.310 12.872 1.00 13.51 C ATOM 1383 CG MET A 158 -14.455 0.197 13.864 1.00 15.26 C ATOM 1384 SD MET A 158 -16.169 -0.331 13.869 1.00 14.17 S ATOM 1385 CE MET A 158 -16.978 0.872 14.873 1.00 15.09 C ATOM 1386 H MET A 158 -12.529 2.362 14.722 1.00 0.00 H ATOM 1387 N ARG A 159 -11.912 3.698 11.924 1.00 15.50 N ATOM 1388 CA ARG A 159 -12.018 4.750 10.946 1.00 14.94 C ATOM 1389 C ARG A 159 -11.065 5.904 11.301 1.00 13.19 C ATOM 1390 O ARG A 159 -10.806 6.133 12.419 1.00 14.58 O ATOM 1391 CB ARG A 159 -13.494 5.259 10.970 1.00 14.44 C ATOM 1392 CG ARG A 159 -13.950 5.721 12.341 1.00 16.31 C ATOM 1393 CD ARG A 159 -15.480 5.697 12.385 1.00 15.38 C ATOM 1394 NE ARG A 159 -16.016 6.835 11.748 1.00 12.08 N ATOM 1395 CZ ARG A 159 -17.215 7.388 12.003 1.00 12.35 C ATOM 1396 NH1 ARG A 159 -17.970 6.857 12.935 1.00 13.87 N ATOM 1397 NH2 ARG A 159 -17.593 8.497 11.402 1.00 12.47 N ATOM 1398 HE ARG A 159 -15.432 7.287 11.016 1.00 0.00 H ATOM 1399 HH12 ARG A 159 -18.901 7.269 13.148 1.00 0.00 H ATOM 1400 HH11 ARG A 159 -17.638 6.024 13.461 1.00 0.00 H ATOM 1401 HH22 ARG A 159 -18.524 8.911 11.611 1.00 0.00 H ATOM 1402 HH21 ARG A 159 -16.961 8.959 10.718 1.00 0.00 H ATOM 1403 H ARG A 159 -11.491 3.879 12.857 1.00 0.00 H ATOM 1404 N ALA A 160 -10.622 6.586 10.289 1.00 14.02 N ATOM 1405 CA ALA A 160 -9.702 7.706 10.488 1.00 13.00 C ATOM 1406 C ALA A 160 -10.441 8.935 10.835 1.00 12.12 C ATOM 1407 O ALA A 160 -11.484 9.250 10.258 1.00 14.32 O ATOM 1408 CB ALA A 160 -8.892 7.920 9.239 1.00 14.65 C ATOM 1409 H ALA A 160 -10.924 6.333 9.327 1.00 0.00 H ATOM 1410 N VAL A 161 -9.876 9.691 11.746 1.00 10.59 N ATOM 1411 CA VAL A 161 -10.465 10.939 12.289 1.00 10.24 C ATOM 1412 C VAL A 161 -9.568 12.139 11.915 1.00 9.65 C ATOM 1413 O VAL A 161 -8.331 11.976 12.002 1.00 10.86 O ATOM 1414 CB VAL A 161 -10.724 10.857 13.809 1.00 10.45 C ATOM 1415 CG1 VAL A 161 -11.134 12.170 14.463 1.00 9.80 C ATOM 1416 CG2 VAL A 161 -11.704 9.697 14.088 1.00 10.87 C ATOM 1417 H VAL A 161 -8.949 9.394 12.113 1.00 0.00 H ATOM 1418 N GLU A 162 -10.154 13.243 11.556 1.00 9.64 N ATOM 1419 CA GLU A 162 -9.424 14.498 11.299 1.00 9.10 C ATOM 1420 C GLU A 162 -9.647 15.429 12.460 1.00 9.55 C ATOM 1421 O GLU A 162 -10.751 15.541 12.948 1.00 10.45 O ATOM 1422 CB GLU A 162 -9.868 15.187 10.033 1.00 10.93 C ATOM 1423 CG GLU A 162 -9.486 14.441 8.743 1.00 12.93 C ATOM 1424 CD GLU A 162 -10.042 15.053 7.495 1.00 16.03 C ATOM 1425 OE1 GLU A 162 -10.833 16.030 7.491 1.00 22.69 O ATOM 1426 OE2 GLU A 162 -9.681 14.574 6.448 1.00 22.15 O ATOM 1427 H GLU A 162 -11.188 13.241 11.445 1.00 0.00 H ATOM 1428 N PHE A 163 -8.550 16.065 12.920 1.00 8.27 N ATOM 1429 CA PHE A 163 -8.607 17.020 14.020 1.00 8.40 C ATOM 1430 C PHE A 163 -7.988 18.342 13.511 1.00 9.38 C ATOM 1431 O PHE A 163 -7.042 18.393 12.737 1.00 9.85 O ATOM 1432 CB PHE A 163 -7.679 16.524 15.182 1.00 9.09 C ATOM 1433 CG PHE A 163 -8.167 15.259 15.875 1.00 8.34 C ATOM 1434 CD1 PHE A 163 -9.018 15.312 16.945 1.00 9.80 C ATOM 1435 CD2 PHE A 163 -7.745 14.031 15.414 1.00 8.96 C ATOM 1436 CE1 PHE A 163 -9.445 14.112 17.556 1.00 8.84 C ATOM 1437 CE2 PHE A 163 -8.193 12.892 16.057 1.00 9.06 C ATOM 1438 CZ PHE A 163 -8.995 12.939 17.095 1.00 9.30 C ATOM 1439 H PHE A 163 -7.631 15.867 12.474 1.00 0.00 H ATOM 1440 N LYS A 164 -8.574 19.417 14.011 1.00 10.30 N ATOM 1441 CA LYS A 164 -8.089 20.784 13.788 1.00 11.14 C ATOM 1442 C LYS A 164 -7.381 21.237 15.064 1.00 11.17 C ATOM 1443 O LYS A 164 -7.875 21.084 16.177 1.00 11.51 O ATOM 1444 CB LYS A 164 -9.196 21.715 13.468 1.00 13.34 C ATOM 1445 CG LYS A 164 -8.529 23.048 12.968 1.00 15.19 C ATOM 1446 CD LYS A 164 -9.590 23.971 12.467 1.00 18.81 C ATOM 1447 CE LYS A 164 -9.001 25.350 12.192 1.00 23.10 C ATOM 1448 NZ LYS A 164 -8.502 25.353 10.797 1.00 32.06 N ATOM 1449 HZ1 LYS A 164 -7.774 24.619 10.689 1.00 0.00 H ATOM 1450 HZ2 LYS A 164 -9.291 25.159 10.148 1.00 0.00 H ATOM 1451 HZ3 LYS A 164 -8.093 26.284 10.579 1.00 0.00 H ATOM 1452 H LYS A 164 -9.425 19.286 14.594 1.00 0.00 H ATOM 1453 N VAL A 165 -6.233 21.883 14.868 1.00 10.34 N ATOM 1454 CA VAL A 165 -5.552 22.485 15.962 1.00 11.84 C ATOM 1455 C VAL A 165 -6.114 23.893 16.181 1.00 11.78 C ATOM 1456 O VAL A 165 -5.887 24.801 15.367 1.00 12.04 O ATOM 1457 CB VAL A 165 -4.019 22.579 15.680 1.00 11.60 C ATOM 1458 CG1 VAL A 165 -3.367 23.221 16.905 1.00 12.79 C ATOM 1459 CG2 VAL A 165 -3.451 21.216 15.393 1.00 10.54 C ATOM 1460 H VAL A 165 -5.833 21.948 13.910 1.00 0.00 H ATOM 1461 N VAL A 166 -6.920 24.023 17.219 1.00 13.05 N ATOM 1462 CA VAL A 166 -7.637 25.251 17.529 1.00 15.48 C ATOM 1463 C VAL A 166 -6.693 26.305 18.193 1.00 13.74 C ATOM 1464 O VAL A 166 -6.800 27.473 17.880 1.00 15.29 O ATOM 1465 CB VAL A 166 -8.838 24.896 18.410 1.00 18.52 C ATOM 1466 CG1 VAL A 166 -9.460 26.173 19.004 1.00 22.56 C ATOM 1467 CG2 VAL A 166 -9.806 24.142 17.551 1.00 21.62 C ATOM 1468 H VAL A 166 -7.049 23.205 17.848 1.00 0.00 H ATOM 1469 N GLU A 167 -5.826 25.858 19.051 1.00 13.03 N ATOM 1470 CA GLU A 167 -4.860 26.731 19.737 1.00 15.13 C ATOM 1471 C GLU A 167 -3.700 25.903 20.209 1.00 13.29 C ATOM 1472 O GLU A 167 -3.844 24.717 20.584 1.00 12.29 O ATOM 1473 CB GLU A 167 -5.445 27.503 20.917 1.00 18.13 C ATOM 1474 CG GLU A 167 -4.592 28.756 21.350 1.00 21.61 C ATOM 1475 CD GLU A 167 -3.971 29.649 20.250 1.00 20.21 C ATOM 1476 OE1 GLU A 167 -4.523 30.738 19.995 1.00 29.33 O ATOM 1477 OE2 GLU A 167 -3.035 29.328 19.497 1.00 20.49 O ATOM 1478 H GLU A 167 -5.814 24.840 19.262 1.00 0.00 H ATOM 1479 N THR A 168 -2.548 26.584 20.295 1.00 13.88 N ATOM 1480 CA THR A 168 -1.346 26.057 20.914 1.00 13.29 C ATOM 1481 C THR A 168 -0.814 27.117 21.913 1.00 13.55 C ATOM 1482 O THR A 168 -1.095 28.319 21.740 1.00 13.70 O ATOM 1483 CB THR A 168 -0.222 25.646 19.920 1.00 13.59 C ATOM 1484 OG1 THR A 168 0.309 26.808 19.258 1.00 14.27 O ATOM 1485 CG2 THR A 168 -0.758 24.735 18.821 1.00 15.07 C ATOM 1486 HG1 THR A 168 0.684 27.428 19.932 1.00 0.00 H ATOM 1487 H THR A 168 -2.514 27.544 19.896 1.00 0.00 H ATOM 1488 N ASP A 169 -0.007 26.642 22.836 1.00 14.99 N ATOM 1489 CA ASP A 169 0.664 27.525 23.836 1.00 15.94 C ATOM 1490 C ASP A 169 2.018 26.894 24.092 1.00 12.51 C ATOM 1491 O ASP A 169 2.126 25.831 24.661 1.00 13.85 O ATOM 1492 CB ASP A 169 -0.159 27.589 25.107 1.00 15.26 C ATOM 1493 CG ASP A 169 0.516 28.319 26.217 1.00 18.62 C ATOM 1494 OD1 ASP A 169 1.557 28.980 25.980 1.00 17.32 O ATOM 1495 OD2 ASP A 169 -0.059 28.334 27.300 1.00 17.77 O ATOM 1496 H ASP A 169 0.170 25.618 22.871 1.00 0.00 H ATOM 1497 N PRO A 170 3.118 27.487 23.557 1.00 13.28 N ATOM 1498 CA PRO A 170 3.105 28.733 22.829 1.00 14.24 C ATOM 1499 C PRO A 170 2.443 28.675 21.492 1.00 13.81 C ATOM 1500 O PRO A 170 2.339 27.601 20.896 1.00 12.02 O ATOM 1501 CB PRO A 170 4.567 29.092 22.658 1.00 16.21 C ATOM 1502 CG PRO A 170 5.313 28.051 23.188 1.00 15.25 C ATOM 1503 CD PRO A 170 4.431 26.933 23.729 1.00 14.88 C ATOM 1504 N SER A 171 2.044 29.812 20.989 1.00 13.53 N ATOM 1505 CA SER A 171 1.342 30.001 19.726 1.00 13.90 C ATOM 1506 C SER A 171 2.206 30.796 18.713 1.00 16.29 C ATOM 1507 O SER A 171 2.926 31.715 19.070 1.00 16.32 O ATOM 1508 CB SER A 171 0.000 30.671 19.996 1.00 14.90 C ATOM 1509 OG SER A 171 -0.731 30.881 18.792 1.00 16.65 O ATOM 1510 HG SER A 171 -1.595 31.316 19.003 1.00 0.00 H ATOM 1511 H SER A 171 2.247 30.667 21.545 1.00 0.00 H ATOM 1512 N PRO A 172 2.177 30.518 17.385 1.00 14.52 N ATOM 1513 CA PRO A 172 1.268 29.539 16.774 1.00 15.13 C ATOM 1514 C PRO A 172 1.872 28.164 16.591 1.00 15.07 C ATOM 1515 O PRO A 172 1.190 27.333 15.969 1.00 15.07 O ATOM 1516 CB PRO A 172 0.969 30.174 15.448 1.00 16.40 C ATOM 1517 CG PRO A 172 2.259 30.801 15.071 1.00 16.98 C ATOM 1518 CD PRO A 172 2.748 31.422 16.369 1.00 16.50 C ATOM 1519 N TYR A 173 3.052 27.881 17.009 1.00 14.48 N ATOM 1520 CA TYR A 173 3.507 26.473 16.820 1.00 16.35 C ATOM 1521 C TYR A 173 4.364 26.048 17.973 1.00 13.87 C ATOM 1522 O TYR A 173 4.925 26.844 18.771 1.00 14.03 O ATOM 1523 CB TYR A 173 4.108 26.313 15.449 1.00 17.63 C ATOM 1524 CG TYR A 173 5.265 27.258 15.167 1.00 18.00 C ATOM 1525 CD1 TYR A 173 6.453 27.066 15.796 1.00 18.11 C ATOM 1526 CD2 TYR A 173 5.159 28.135 14.173 1.00 16.73 C ATOM 1527 CE1 TYR A 173 7.562 27.921 15.560 1.00 20.63 C ATOM 1528 CE2 TYR A 173 6.249 29.064 13.907 1.00 20.27 C ATOM 1529 CZ TYR A 173 7.448 28.885 14.563 1.00 22.79 C ATOM 1530 OH TYR A 173 8.505 29.754 14.201 1.00 25.59 O ATOM 1531 HH TYR A 173 9.310 29.533 14.734 1.00 0.00 H ATOM 1532 H TYR A 173 3.660 28.597 17.456 1.00 0.00 H ATOM 1533 N CYS A 174 4.449 24.716 18.107 1.00 11.92 N ATOM 1534 CA CYS A 174 5.147 24.130 19.233 1.00 10.80 C ATOM 1535 C CYS A 174 5.447 22.656 18.929 1.00 11.30 C ATOM 1536 O CYS A 174 4.931 22.123 17.943 1.00 11.48 O ATOM 1537 CB CYS A 174 4.344 24.271 20.564 1.00 11.58 C ATOM 1538 SG CYS A 174 2.811 23.282 20.595 1.00 13.14 S ATOM 1539 H CYS A 174 4.009 24.098 17.395 1.00 0.00 H ATOM 1540 N ILE A 175 6.248 22.011 19.756 1.00 10.92 N ATOM 1541 CA ILE A 175 6.440 20.573 19.766 1.00 10.74 C ATOM 1542 C ILE A 175 5.480 19.925 20.729 1.00 11.33 C ATOM 1543 O ILE A 175 5.343 20.411 21.881 1.00 11.59 O ATOM 1544 CB ILE A 175 7.889 20.179 20.167 1.00 12.30 C ATOM 1545 CG1 ILE A 175 8.905 20.834 19.302 1.00 12.28 C ATOM 1546 CG2 ILE A 175 8.077 18.704 20.223 1.00 12.66 C ATOM 1547 CD1 ILE A 175 8.713 20.538 17.841 1.00 12.76 C ATOM 1548 H ILE A 175 6.780 22.574 20.450 1.00 0.00 H ATOM 1549 N VAL A 176 4.768 18.869 20.360 1.00 10.34 N ATOM 1550 CA VAL A 176 3.906 18.189 21.279 1.00 11.25 C ATOM 1551 C VAL A 176 4.770 17.156 21.990 1.00 11.34 C ATOM 1552 O VAL A 176 5.107 16.095 21.508 1.00 11.48 O ATOM 1553 CB VAL A 176 2.681 17.585 20.574 1.00 11.45 C ATOM 1554 CG1 VAL A 176 1.792 16.866 21.605 1.00 11.75 C ATOM 1555 CG2 VAL A 176 1.925 18.594 19.816 1.00 11.90 C ATOM 1556 H VAL A 176 4.837 18.527 19.380 1.00 0.00 H ATOM 1557 N ALA A 177 5.281 17.573 23.146 1.00 12.07 N ATOM 1558 CA ALA A 177 6.296 16.869 23.924 1.00 12.96 C ATOM 1559 C ALA A 177 5.615 16.061 25.031 1.00 14.12 C ATOM 1560 O ALA A 177 4.436 16.216 25.294 1.00 13.13 O ATOM 1561 CB ALA A 177 7.244 17.913 24.556 1.00 14.27 C ATOM 1562 H ALA A 177 4.928 18.474 23.526 1.00 0.00 H ATOM 1563 N PRO A 178 6.332 15.202 25.742 1.00 15.53 N ATOM 1564 CA PRO A 178 5.675 14.382 26.801 1.00 16.14 C ATOM 1565 C PRO A 178 4.870 15.173 27.853 1.00 15.03 C ATOM 1566 O PRO A 178 3.897 14.658 28.343 1.00 17.84 O ATOM 1567 CB PRO A 178 6.879 13.751 27.490 1.00 17.91 C ATOM 1568 CG PRO A 178 7.758 13.505 26.343 1.00 19.45 C ATOM 1569 CD PRO A 178 7.729 14.770 25.539 1.00 17.36 C ATOM 1570 N ASP A 179 5.291 16.390 28.156 1.00 14.99 N ATOM 1571 CA ASP A 179 4.597 17.196 29.126 1.00 13.47 C ATOM 1572 C ASP A 179 3.554 18.152 28.634 1.00 13.24 C ATOM 1573 O ASP A 179 2.913 18.873 29.396 1.00 15.77 O ATOM 1574 CB ASP A 179 5.638 17.931 30.046 1.00 15.53 C ATOM 1575 CG ASP A 179 6.459 16.999 30.896 1.00 18.31 C ATOM 1576 OD1 ASP A 179 6.052 15.854 31.154 1.00 20.55 O ATOM 1577 OD2 ASP A 179 7.581 17.400 31.314 1.00 17.10 O ATOM 1578 H ASP A 179 6.137 16.771 27.686 1.00 0.00 H ATOM 1579 N THR A 180 3.267 18.137 27.322 1.00 12.21 N ATOM 1580 CA THR A 180 2.310 18.985 26.726 1.00 12.11 C ATOM 1581 C THR A 180 0.903 18.457 27.022 1.00 14.22 C ATOM 1582 O THR A 180 0.619 17.266 26.754 1.00 16.02 O ATOM 1583 CB THR A 180 2.538 18.991 25.196 1.00 11.23 C ATOM 1584 OG1 THR A 180 3.859 19.391 24.849 1.00 12.16 O ATOM 1585 CG2 THR A 180 1.498 19.847 24.579 1.00 12.31 C ATOM 1586 HG1 THR A 180 4.025 20.306 25.188 1.00 0.00 H ATOM 1587 H THR A 180 3.777 17.465 26.714 1.00 0.00 H ATOM 1588 N VAL A 181 0.068 19.292 27.594 1.00 13.08 N ATOM 1589 CA VAL A 181 -1.284 18.848 27.970 1.00 13.77 C ATOM 1590 C VAL A 181 -2.119 18.893 26.690 1.00 13.27 C ATOM 1591 O VAL A 181 -2.121 19.914 25.998 1.00 14.27 O ATOM 1592 CB VAL A 181 -1.859 19.640 29.102 1.00 15.33 C ATOM 1593 CG1 VAL A 181 -3.258 19.181 29.421 1.00 16.58 C ATOM 1594 CG2 VAL A 181 -0.922 19.584 30.320 1.00 18.00 C ATOM 1595 H VAL A 181 0.363 20.271 27.782 1.00 0.00 H ATOM 1596 N ILE A 182 -2.920 17.848 26.455 1.00 13.18 N ATOM 1597 CA ILE A 182 -3.738 17.788 25.217 1.00 13.61 C ATOM 1598 C ILE A 182 -5.211 17.954 25.558 1.00 14.30 C ATOM 1599 O ILE A 182 -5.723 17.077 26.248 1.00 13.81 O ATOM 1600 CB ILE A 182 -3.450 16.476 24.485 1.00 13.49 C ATOM 1601 CG1 ILE A 182 -1.926 16.438 24.098 1.00 17.36 C ATOM 1602 CG2 ILE A 182 -4.325 16.486 23.254 1.00 13.97 C ATOM 1603 CD1 ILE A 182 -1.355 15.216 23.452 1.00 19.31 C ATOM 1604 H ILE A 182 -2.970 17.071 27.145 1.00 0.00 H ATOM 1605 N HIS A 183 -5.788 19.079 25.182 1.00 14.24 N ATOM 1606 CA HIS A 183 -7.231 19.366 25.282 1.00 15.52 C ATOM 1607 C HIS A 183 -7.987 18.952 24.063 1.00 16.11 C ATOM 1608 O HIS A 183 -7.585 19.247 22.946 1.00 14.94 O ATOM 1609 CB HIS A 183 -7.439 20.862 25.569 1.00 16.53 C ATOM 1610 CG HIS A 183 -6.926 21.276 26.911 1.00 17.94 C ATOM 1611 ND1 HIS A 183 -5.584 21.474 27.196 1.00 20.29 N ATOM 1612 CD2 HIS A 183 -7.603 21.506 28.073 1.00 18.51 C ATOM 1613 CE1 HIS A 183 -5.464 21.820 28.475 1.00 18.82 C ATOM 1614 NE2 HIS A 183 -6.679 21.904 28.998 1.00 23.43 N ATOM 1615 H HIS A 183 -5.178 19.821 24.784 1.00 0.00 H ATOM 1616 N CYS A 184 -9.144 18.257 24.231 1.00 18.34 N ATOM 1617 CA CYS A 184 -9.970 17.946 23.084 1.00 17.38 C ATOM 1618 C CYS A 184 -11.471 18.001 23.312 1.00 21.78 C ATOM 1619 O CYS A 184 -12.221 17.545 22.454 1.00 23.29 O ATOM 1620 CB CYS A 184 -9.537 16.637 22.382 1.00 18.77 C ATOM 1621 SG CYS A 184 -9.653 15.192 23.470 1.00 23.80 S ATOM 1622 H CYS A 184 -9.434 17.950 25.181 1.00 0.00 H ATOM 1623 N GLU A 185 -11.852 18.690 24.353 1.00 24.35 N ATOM 1624 CA GLU A 185 -13.266 18.914 24.655 1.00 28.11 C ATOM 1625 C GLU A 185 -13.819 20.065 23.861 1.00 21.01 C ATOM 1626 O GLU A 185 -13.223 21.091 23.711 1.00 18.67 O ATOM 1627 CB GLU A 185 -13.488 19.194 26.138 1.00 37.88 C ATOM 1628 CG GLU A 185 -13.248 18.001 27.074 1.00 48.23 C ATOM 1629 CD GLU A 185 -13.715 18.273 28.519 1.00 56.52 C ATOM 1630 OE1 GLU A 185 -12.904 18.731 29.386 1.00 59.80 O ATOM 1631 OE2 GLU A 185 -14.917 18.029 28.779 1.00 60.81 O ATOM 1632 H GLU A 185 -11.130 19.091 24.985 1.00 0.00 H ATOM 1633 N GLY A 186 -15.026 19.870 23.372 1.00 21.07 N ATOM 1634 CA GLY A 186 -15.791 20.846 22.697 1.00 19.26 C ATOM 1635 C GLY A 186 -16.563 20.184 21.570 1.00 20.75 C ATOM 1636 O GLY A 186 -16.365 19.014 21.288 1.00 24.38 O ATOM 1637 H GLY A 186 -15.447 18.927 23.492 1.00 0.00 H ATOM 1638 N GLU A 187 -17.392 20.951 20.917 1.00 20.13 N ATOM 1639 CA GLU A 187 -18.254 20.455 19.834 1.00 25.16 C ATOM 1640 C GLU A 187 -17.387 20.257 18.585 1.00 21.02 C ATOM 1641 O GLU A 187 -16.555 21.122 18.232 1.00 20.05 O ATOM 1642 CB GLU A 187 -19.368 21.478 19.514 1.00 33.05 C ATOM 1643 CG GLU A 187 -20.745 20.820 19.344 1.00 42.05 C ATOM 1644 CD GLU A 187 -21.621 21.460 18.262 1.00 47.98 C ATOM 1645 OE1 GLU A 187 -21.435 22.684 17.945 1.00 42.17 O ATOM 1646 OE2 GLU A 187 -22.505 20.722 17.741 1.00 46.81 O ATOM 1647 H GLU A 187 -17.446 21.957 21.174 1.00 0.00 H ATOM 1648 N PRO A 188 -17.565 19.107 17.940 1.00 21.89 N ATOM 1649 CA PRO A 188 -16.855 18.959 16.654 1.00 19.95 C ATOM 1650 C PRO A 188 -17.146 20.058 15.678 1.00 23.01 C ATOM 1651 O PRO A 188 -18.279 20.578 15.660 1.00 26.95 O ATOM 1652 CB PRO A 188 -17.392 17.638 16.134 1.00 19.57 C ATOM 1653 CG PRO A 188 -17.746 16.812 17.332 1.00 20.40 C ATOM 1654 CD PRO A 188 -18.315 17.890 18.293 1.00 21.41 C ATOM 1655 N ILE A 189 -16.129 20.404 14.896 1.00 21.07 N ATOM 1656 CA ILE A 189 -16.089 21.455 13.950 1.00 24.42 C ATOM 1657 C ILE A 189 -16.647 21.081 12.595 1.00 21.75 C ATOM 1658 O ILE A 189 -16.427 19.975 12.094 1.00 19.01 O ATOM 1659 CB ILE A 189 -14.612 21.928 13.851 1.00 29.24 C ATOM 1660 CG1 ILE A 189 -14.362 22.991 14.913 1.00 34.98 C ATOM 1661 CG2 ILE A 189 -14.118 22.413 12.482 1.00 35.47 C ATOM 1662 CD1 ILE A 189 -12.875 23.265 15.012 1.00 36.43 C ATOM 1663 H ILE A 189 -15.262 19.837 14.990 1.00 0.00 H ATOM 1664 N LYS A 190 -17.322 22.035 11.958 1.00 22.43 N ATOM 1665 CA LYS A 190 -17.763 21.849 10.587 1.00 24.00 C ATOM 1666 C LYS A 190 -16.630 21.784 9.595 1.00 26.43 C ATOM 1667 O LYS A 190 -15.684 22.558 9.700 1.00 33.88 O ATOM 1668 CB LYS A 190 -18.721 22.952 10.166 1.00 27.25 C ATOM 1669 CG LYS A 190 -19.920 23.019 11.074 1.00 34.36 C ATOM 1670 CD LYS A 190 -21.095 23.666 10.358 1.00 45.25 C ATOM 1671 CE LYS A 190 -22.307 23.722 11.271 1.00 52.85 C ATOM 1672 NZ LYS A 190 -22.019 24.417 12.567 1.00 57.07 N ATOM 1673 HZ1 LYS A 190 -21.262 23.911 13.070 1.00 0.00 H ATOM 1674 HZ2 LYS A 190 -21.717 25.394 12.376 1.00 0.00 H ATOM 1675 HZ3 LYS A 190 -22.879 24.427 13.152 1.00 0.00 H ATOM 1676 H LYS A 190 -17.537 22.926 12.449 1.00 0.00 H ATOM 1677 N ARG A 191 -16.705 20.881 8.631 1.00 27.15 N ATOM 1678 CA ARG A 191 -15.738 20.901 7.516 1.00 26.58 C ATOM 1679 C ARG A 191 -15.874 22.209 6.686 1.00 32.27 C ATOM 1680 O ARG A 191 -16.996 22.573 6.403 1.00 31.23 O ATOM 1681 CB ARG A 191 -16.016 19.723 6.583 1.00 26.89 C ATOM 1682 CG ARG A 191 -15.051 19.627 5.405 1.00 28.74 C ATOM 1683 CD ARG A 191 -15.176 18.282 4.713 1.00 29.72 C ATOM 1684 NE ARG A 191 -14.883 17.151 5.591 1.00 25.84 N ATOM 1685 CZ ARG A 191 -13.668 16.749 5.974 1.00 28.79 C ATOM 1686 NH1 ARG A 191 -12.567 17.357 5.567 1.00 32.84 N ATOM 1687 NH2 ARG A 191 -13.541 15.687 6.749 1.00 21.51 N ATOM 1688 HE ARG A 191 -15.695 16.609 5.951 1.00 0.00 H ATOM 1689 HH12 ARG A 191 -11.637 17.017 5.885 1.00 0.00 H ATOM 1690 HH11 ARG A 191 -12.631 18.175 4.929 1.00 0.00 H ATOM 1691 HH22 ARG A 191 -12.596 15.372 7.049 1.00 0.00 H ATOM 1692 HH21 ARG A 191 -14.386 15.166 7.060 1.00 0.00 H ATOM 1693 H ARG A 191 -17.448 20.154 8.659 1.00 0.00 H ATOM 1694 N ALA A 192 -14.765 22.868 6.307 1.00 37.56 N ATOM 1695 CA ALA A 192 -14.791 24.240 5.703 1.00 44.77 C ATOM 1696 C ALA A 192 -14.863 24.241 4.167 1.00 46.88 C ATOM 1697 O ALA A 192 -14.576 23.228 3.515 1.00 54.75 O ATOM 1698 CB ALA A 192 -13.607 25.093 6.192 1.00 43.97 C ATOM 1699 H ALA A 192 -13.844 22.403 6.439 1.00 0.00 H TER 1700 ALA A 192 HETATM 1701 O HOH 1 3.421 30.420 11.612 1.00 29.77 O HETATM 1702 O HOH 2 19.602 21.807 -7.352 1.00 34.08 O HETATM 1703 O HOH 3 2.682 30.738 25.625 1.00 32.78 O HETATM 1704 O HOH 4 2.456 31.535 -8.440 1.00 29.62 O HETATM 1705 O HOH 5 0.417 23.507 8.416 1.00 28.89 O HETATM 1706 O HOH 6 10.550 9.576 19.341 1.00 27.16 O HETATM 1707 O HOH 7 -1.335 24.717 8.812 1.00 19.37 O HETATM 1708 O HOH 8 2.767 19.576 31.769 1.00 27.76 O HETATM 1709 O HOH 9 2.772 17.818 12.494 1.00 12.74 O HETATM 1710 O HOH 10 20.088 18.716 -9.888 1.00 30.47 O HETATM 1711 O HOH 11 24.623 31.191 -0.874 1.00 48.43 O HETATM 1712 O HOH 12 1.977 8.288 -0.261 1.00 28.43 O HETATM 1713 O HOH 13 11.941 29.351 19.903 1.00 31.46 O HETATM 1714 O HOH 14 4.121 15.142 4.734 1.00 21.06 O HETATM 1715 O HOH 15 -22.174 19.589 10.417 1.00 31.79 O HETATM 1716 O HOH 16 1.146 7.449 8.364 1.00 37.03 O HETATM 1717 O HOH 17 12.031 15.293 26.579 1.00 33.35 O HETATM 1718 O HOH 18 0.265 16.562 13.254 1.00 14.55 O HETATM 1719 O HOH 19 17.744 31.029 1.587 1.00 26.87 O HETATM 1720 O HOH 20 11.133 11.217 25.732 1.00 28.78 O HETATM 1721 O HOH 21 -19.306 17.481 5.977 1.00 32.79 O HETATM 1722 O HOH 22 -21.919 6.631 20.596 1.00 36.01 O HETATM 1723 O HOH 23 -24.797 20.651 16.565 1.00 24.02 O HETATM 1724 O HOH 24 0.144 29.753 29.561 1.00 28.68 O HETATM 1725 O HOH 25 -0.566 11.103 -5.572 1.00 28.29 O HETATM 1726 O HOH 26 25.331 28.875 0.340 1.00 30.10 O HETATM 1727 O HOH 27 10.768 14.232 -5.696 1.00 24.20 O HETATM 1728 O HOH 28 -7.908 8.736 28.803 1.00 37.24 O HETATM 1729 O HOH 29 13.365 17.833 20.900 1.00 24.64 O HETATM 1730 O HOH 30 11.282 32.481 -0.877 1.00 21.98 O HETATM 1731 O HOH 31 19.563 10.958 0.633 1.00 33.73 O HETATM 1732 O HOH 32 -3.289 24.688 -6.686 1.00 38.91 O HETATM 1733 O HOH 33 -12.138 2.690 7.904 1.00 23.42 O HETATM 1734 O HOH 34 -8.015 28.402 15.752 1.00 32.70 O HETATM 1735 O HOH 35 -19.107 19.525 8.107 1.00 33.72 O HETATM 1736 O HOH 36 13.801 25.670 -6.902 1.00 30.66 O HETATM 1737 O HOH 37 4.591 7.993 -3.410 1.00 27.87 O HETATM 1738 O HOH 38 2.219 21.766 30.404 1.00 25.99 O HETATM 1739 O HOH 39 12.099 10.323 3.670 1.00 23.73 O HETATM 1740 O HOH 40 6.429 11.434 -7.257 1.00 39.34 O HETATM 1741 O HOH 41 -21.543 9.498 18.591 1.00 21.29 O HETATM 1742 O HOH 42 -14.935 16.922 20.549 1.00 27.80 O HETATM 1743 O HOH 43 1.257 15.343 28.447 1.00 22.10 O HETATM 1744 O HOH 44 -4.408 12.814 -2.312 1.00 29.88 O HETATM 1745 O HOH 45 -25.699 9.772 13.800 1.00 14.32 O HETATM 1746 O HOH 46 3.698 29.112 27.534 1.00 31.97 O HETATM 1747 O HOH 47 11.310 32.305 22.499 1.00 24.12 O HETATM 1748 O HOH 48 6.351 14.848 -9.405 1.00 37.26 O HETATM 1749 O HOH 49 18.127 26.755 -4.800 1.00 16.08 O HETATM 1750 O HOH 50 14.007 16.646 25.211 1.00 34.01 O HETATM 1751 O HOH 51 -2.428 26.802 10.039 1.00 20.63 O HETATM 1752 O HOH 52 3.854 14.440 -8.076 1.00 31.88 O HETATM 1753 O HOH 53 -3.900 5.112 24.041 1.00 22.63 O HETATM 1754 O HOH 54 -14.146 8.644 10.355 1.00 14.92 O HETATM 1755 O HOH 55 9.431 10.944 28.195 1.00 36.58 O HETATM 1756 O HOH 56 -0.322 22.220 -9.655 1.00 20.22 O HETATM 1757 O HOH 57 -5.521 3.163 18.873 1.00 20.82 O HETATM 1758 O HOH 58 -3.648 25.926 7.041 1.00 29.15 O HETATM 1759 O HOH 59 -1.662 9.759 10.600 1.00 18.02 O HETATM 1760 O HOH 60 2.299 8.309 10.916 1.00 33.07 O HETATM 1761 O HOH 61 19.856 14.068 -6.308 1.00 20.67 O HETATM 1762 O HOH 62 -16.688 9.435 8.816 1.00 11.89 O HETATM 1763 O HOH 63 -23.166 5.490 17.371 1.00 29.50 O HETATM 1764 O HOH 64 9.648 28.951 4.054 1.00 13.08 O HETATM 1765 O HOH 65 4.805 12.047 24.475 1.00 25.58 O HETATM 1766 O HOH 66 8.328 10.134 1.486 1.00 26.64 O HETATM 1767 O HOH 67 2.132 28.226 -2.923 1.00 28.91 O HETATM 1768 O HOH 68 -0.437 11.750 0.409 1.00 18.90 O HETATM 1769 O HOH 69 5.339 30.478 11.954 1.00 34.72 O HETATM 1770 O HOH 70 8.407 19.986 31.258 1.00 23.63 O HETATM 1771 O HOH 71 -13.013 3.968 15.384 1.00 20.88 O HETATM 1772 O HOH 72 11.623 29.984 10.629 1.00 32.34 O HETATM 1773 O HOH 73 26.211 16.551 3.840 1.00 33.47 O HETATM 1774 O HOH 74 1.311 26.552 -9.236 1.00 27.64 O HETATM 1775 O HOH 75 -24.601 12.026 16.538 1.00 15.20 O HETATM 1776 O HOH 76 18.614 17.766 13.096 1.00 11.36 O HETATM 1777 O HOH 77 2.453 22.158 11.029 1.00 18.50 O HETATM 1778 O HOH 78 -4.518 20.721 -1.196 1.00 20.73 O HETATM 1779 O HOH 79 -8.482 24.786 7.564 1.00 38.24 O HETATM 1780 O HOH 80 27.127 33.061 2.019 1.00 48.31 O HETATM 1781 O HOH 81 9.170 33.425 8.587 1.00 41.26 O HETATM 1782 O HOH 82 10.128 11.299 16.966 1.00 26.63 O HETATM 1783 O HOH 83 13.481 15.772 14.860 1.00 18.04 O HETATM 1784 O HOH 84 18.561 27.448 4.124 1.00 18.70 O HETATM 1785 O HOH 85 6.427 33.382 9.311 1.00 31.67 O HETATM 1786 O HOH 86 13.540 22.709 16.865 1.00 17.50 O HETATM 1787 O HOH 87 -3.086 4.935 27.663 1.00 42.18 O HETATM 1788 O HOH 88 5.967 23.849 -10.774 1.00 19.18 O HETATM 1789 O HOH 89 11.921 11.841 -8.084 1.00 25.63 O HETATM 1790 O HOH 90 13.207 24.140 21.956 1.00 30.35 O HETATM 1791 O HOH 91 -1.960 12.193 3.860 1.00 25.55 O HETATM 1792 O HOH 92 25.004 16.267 -1.810 1.00 28.50 O HETATM 1793 O HOH 93 6.043 13.660 22.399 1.00 13.32 O HETATM 1794 O HOH 94 23.291 19.158 4.872 1.00 15.96 O HETATM 1795 O HOH 95 25.936 22.591 3.633 1.00 17.20 O HETATM 1796 O HOH 96 -17.907 4.513 14.392 1.00 18.72 O HETATM 1797 O HOH 97 -0.515 28.123 -0.946 1.00 24.61 O HETATM 1798 O HOH 98 12.391 21.653 19.064 1.00 20.15 O HETATM 1799 O HOH 99 3.820 7.686 18.657 1.00 23.95 O HETATM 1800 O HOH 100 24.282 20.690 -3.047 1.00 15.59 O HETATM 1801 O HOH 101 -15.282 12.448 6.135 1.00 23.25 O HETATM 1802 O HOH 102 14.970 18.249 -2.692 1.00 8.98 O HETATM 1803 O HOH 103 4.489 33.695 17.912 1.00 34.05 O HETATM 1804 O HOH 104 4.977 32.597 0.498 1.00 16.29 O HETATM 1805 O HOH 105 -6.527 26.654 9.246 1.00 29.38 O HETATM 1806 O HOH 106 -1.752 30.419 23.437 1.00 22.19 O HETATM 1807 O HOH 107 26.171 15.223 1.885 1.00 32.79 O HETATM 1808 O HOH 108 8.529 12.201 2.871 1.00 35.98 O HETATM 1809 O HOH 109 5.596 17.306 -8.607 1.00 16.63 O HETATM 1810 O HOH 110 -4.562 18.889 6.355 1.00 10.45 O HETATM 1811 O HOH 111 4.091 14.321 19.614 1.00 8.92 O HETATM 1812 O HOH 112 -6.922 14.687 6.057 1.00 17.75 O HETATM 1813 O HOH 113 14.869 18.596 -9.759 1.00 20.69 O HETATM 1814 O HOH 114 17.981 12.282 -4.757 1.00 23.85 O HETATM 1815 O HOH 115 -10.139 15.664 3.913 1.00 34.42 O HETATM 1816 O HOH 116 -2.295 25.239 -9.143 1.00 34.34 O HETATM 1817 O HOH 117 -15.965 10.605 21.203 1.00 30.58 O HETATM 1818 O HOH 118 12.133 24.062 -7.507 1.00 15.96 O HETATM 1819 O HOH 119 16.019 27.779 3.375 1.00 18.22 O HETATM 1820 O HOH 120 7.578 10.114 5.789 1.00 34.91 O HETATM 1821 O HOH 121 -7.066 1.464 17.387 1.00 19.55 O HETATM 1822 O HOH 122 14.462 30.872 8.860 1.00 25.60 O HETATM 1823 O HOH 123 -21.943 15.360 11.481 1.00 17.62 O HETATM 1824 O HOH 124 24.745 26.400 -0.265 1.00 19.03 O HETATM 1825 O HOH 125 15.366 25.483 -3.203 1.00 12.93 O HETATM 1826 O HOH 126 -2.142 10.953 6.793 1.00 23.73 O HETATM 1827 O HOH 127 -1.835 31.069 8.463 1.00 35.32 O HETATM 1828 O HOH 128 20.078 25.734 8.550 1.00 20.36 O HETATM 1829 O HOH 129 2.903 31.709 3.784 1.00 16.53 O HETATM 1830 O HOH 130 10.369 14.068 -9.919 1.00 36.63 O HETATM 1831 O HOH 131 -20.187 14.542 14.381 1.00 16.83 O HETATM 1832 O HOH 132 20.350 21.349 -4.874 1.00 16.60 O HETATM 1833 O HOH 133 6.137 21.966 28.151 1.00 31.50 O HETATM 1834 O HOH 134 4.938 12.289 4.575 1.00 28.05 O HETATM 1835 O HOH 135 10.842 17.204 16.892 1.00 21.20 O HETATM 1836 O HOH 136 -21.987 11.483 16.701 1.00 14.29 O HETATM 1837 O HOH 137 17.509 24.024 9.865 1.00 21.09 O HETATM 1838 O HOH 138 -0.527 18.839 11.676 1.00 17.27 O HETATM 1839 O HOH 139 -6.396 17.242 5.273 1.00 15.90 O HETATM 1840 O HOH 140 -2.854 18.224 -2.905 1.00 19.55 O HETATM 1841 O HOH 141 -10.679 11.912 6.083 1.00 25.69 O HETATM 1842 O HOH 142 22.596 18.663 -7.249 1.00 25.04 O HETATM 1843 O HOH 143 -5.133 25.077 30.863 1.00 32.40 O HETATM 1844 O HOH 144 3.099 19.190 10.164 1.00 22.00 O HETATM 1845 O HOH 145 19.243 21.248 -9.718 1.00 40.35 O HETATM 1846 O HOH 146 15.928 23.629 12.520 1.00 19.34 O HETATM 1847 O HOH 147 24.250 12.689 4.689 1.00 28.22 O HETATM 1848 O HOH 148 -7.946 32.184 18.009 1.00 38.37 O HETATM 1849 O HOH 149 7.626 27.490 19.550 1.00 28.97 O HETATM 1850 O HOH 150 -3.558 6.834 16.656 1.00 30.08 O HETATM 1851 O HOH 151 19.619 12.334 -2.347 1.00 18.89 O HETATM 1852 O HOH 152 -8.263 4.238 11.047 1.00 22.29 O HETATM 1853 O HOH 153 -9.843 17.284 26.868 1.00 29.22 O HETATM 1854 O HOH 154 2.432 32.267 22.486 1.00 22.95 O HETATM 1855 O HOH 155 3.208 8.598 15.853 1.00 17.55 O HETATM 1856 O HOH 156 -1.824 32.113 -6.377 1.00 33.04 O HETATM 1857 O HOH 157 3.869 33.131 6.035 1.00 28.41 O HETATM 1858 O HOH 158 14.930 19.604 15.242 1.00 24.38 O HETATM 1859 O HOH 159 -11.755 10.354 7.578 1.00 25.55 O HETATM 1860 O HOH 160 -2.305 30.800 26.150 1.00 24.10 O HETATM 1861 O HOH 161 -2.266 7.637 12.391 1.00 20.73 O HETATM 1862 O HOH 162 8.103 13.784 31.070 1.00 30.20 O HETATM 1863 O HOH 163 3.139 13.547 30.936 1.00 35.70 O HETATM 1864 O HOH 164 7.941 17.552 27.756 1.00 20.51 O HETATM 1865 O HOH 165 1.044 20.571 8.617 1.00 23.04 O HETATM 1866 O HOH 166 -5.810 23.711 7.559 1.00 23.68 O HETATM 1867 O HOH 167 2.952 5.238 3.896 1.00 35.77 O HETATM 1868 O HOH 168 -11.049 5.572 7.572 1.00 34.10 O HETATM 1869 O HOH 169 6.816 30.748 -0.415 1.00 23.56 O HETATM 1870 O HOH 170 -1.062 28.686 8.339 1.00 26.22 O HETATM 1871 O HOH 171 -18.820 12.008 17.901 1.00 24.37 O HETATM 1872 O HOH 172 18.436 9.313 4.882 1.00 20.49 O HETATM 1873 O HOH 173 5.314 29.674 18.091 1.00 28.59 O HETATM 1874 O HOH 174 17.387 15.593 -9.174 1.00 23.67 O HETATM 1875 O HOH 175 1.042 10.782 10.311 1.00 14.32 O HETATM 1876 O HOH 176 -18.469 7.916 23.249 1.00 33.95 O HETATM 1877 O HOH 177 5.055 5.732 21.068 1.00 37.01 O HETATM 1878 O HOH 178 -2.591 17.522 -6.120 1.00 22.88 O HETATM 1879 O HOH 179 14.357 27.968 -5.446 1.00 20.34 O HETATM 1880 O HOH 180 -17.726 24.694 13.167 1.00 34.87 O HETATM 1881 O HOH 181 2.441 27.338 -7.083 1.00 27.45 O HETATM 1882 O HOH 182 19.387 32.762 3.496 1.00 29.45 O HETATM 1883 O HOH 183 -3.221 29.885 0.168 1.00 20.74 O HETATM 1884 O HOH 184 -13.510 11.588 23.390 1.00 29.28 O HETATM 1885 O HOH 185 11.571 15.629 -11.457 1.00 35.13 O HETATM 1886 O HOH 186 11.386 32.223 2.894 1.00 31.12 O HETATM 1887 O HOH 187 -6.607 29.296 30.063 1.00 34.53 O HETATM 1888 O HOH 188 -17.704 23.828 21.595 1.00 36.45 O HETATM 1889 O HOH 189 -16.441 17.307 23.928 1.00 43.58 O HETATM 1890 O HOH 190 6.599 13.313 2.797 1.00 30.06 O HETATM 1891 O HOH 191 -5.965 21.396 5.858 1.00 17.99 O HETATM 1892 O HOH 192 -3.210 15.327 -4.598 1.00 28.07 O HETATM 1893 O HOH 193 1.052 31.443 24.360 1.00 25.84 O HETATM 1894 O HOH 194 21.099 28.046 7.440 1.00 19.70 O HETATM 1895 O HOH 195 16.551 10.922 6.330 1.00 13.23 O HETATM 1896 O HOH 196 -3.385 33.361 15.818 1.00 38.85 O HETATM 1897 O HOH 197 27.351 24.994 3.946 1.00 16.35 O HETATM 1898 O HOH 198 -19.296 3.296 17.559 1.00 31.74 O HETATM 1899 O HOH 199 -7.633 15.036 1.888 1.00 28.97 O HETATM 1900 O HOH 200 22.028 16.569 5.856 1.00 21.54 O HETATM 1901 O HOH 201 2.003 28.253 -4.904 1.00 32.78 O HETATM 1902 O HOH 202 -6.524 2.804 25.955 1.00 33.54 O HETATM 1903 O HOH 203 14.405 9.192 4.879 1.00 21.80 O HETATM 1904 O HOH 204 0.299 18.234 9.286 1.00 26.26 O HETATM 1905 O HOH 205 10.949 24.616 25.097 1.00 25.38 O HETATM 1906 O HOH 206 15.919 30.498 3.423 1.00 24.38 O HETATM 1907 O HOH 207 26.108 30.086 4.395 1.00 20.37 O HETATM 1908 O HOH 208 2.068 4.999 20.029 1.00 20.51 O HETATM 1909 O HOH 209 9.113 32.592 0.838 1.00 22.63 O HETATM 1910 O HOH 210 -9.208 1.405 10.706 1.00 38.17 O HETATM 1911 O HOH 211 19.215 29.429 5.876 1.00 20.32 O HETATM 1912 O HOH 212 -17.203 4.100 16.877 1.00 23.58 O HETATM 1913 O HOH 213 -6.352 22.721 -9.697 1.00 37.22 O HETATM 1914 O HOH 214 13.698 31.667 -3.466 1.00 24.47 O HETATM 1915 O HOH 215 24.658 31.745 -3.480 1.00 35.06 O HETATM 1916 O HOH 216 -1.622 28.113 -3.171 1.00 32.80 O HETATM 1917 O HOH 217 -11.349 24.835 9.525 1.00 36.90 O HETATM 1918 O HOH 218 10.479 8.870 4.942 1.00 35.25 O HETATM 1919 O HOH 219 2.143 24.870 -11.108 1.00 49.35 O HETATM 1920 O HOH 220 1.848 5.652 28.160 1.00 45.38 O HETATM 1921 O HOH 221 -3.360 36.241 4.261 1.00 28.75 O HETATM 1922 O HOH 222 -8.757 18.663 0.420 1.00 36.53 O HETATM 1923 O HOH 223 5.993 31.361 20.104 1.00 25.48 O HETATM 1924 O HOH 224 22.020 14.794 8.433 1.00 4.29 O HETATM 1925 O HOH 225 5.263 19.055 33.123 1.00 20.77 O HETATM 1926 O HOH 226 16.138 21.582 14.521 1.00 34.82 O HETATM 1927 O HOH 227 -3.729 22.607 30.500 1.00 21.88 O HETATM 1928 O HOH 228 -7.299 21.838 1.988 1.00 40.32 O HETATM 1929 O HOH 229 10.844 9.051 1.666 1.00 32.99 O HETATM 1930 O HOH 230 6.337 31.685 16.187 1.00 47.00 O HETATM 1931 O HOH 231 -4.425 28.905 9.774 1.00 35.08 O HETATM 1932 O HOH 232 7.536 32.238 11.837 1.00 40.46 O HETATM 1933 O HOH 233 25.046 26.251 -3.080 1.00 22.20 O HETATM 1934 O HOH 234 4.724 22.011 30.079 1.00 29.51 O HETATM 1935 O HOH 235 23.009 11.783 9.158 1.00 17.16 O HETATM 1936 O HOH 236 -2.714 11.045 -1.131 1.00 29.96 O HETATM 1937 O HOH 237 24.650 10.977 7.169 1.00 26.54 O HETATM 1938 O HOH 238 -2.688 41.457 4.568 1.00 25.83 O HETATM 1939 O HOH 239 15.409 7.110 3.562 1.00 35.71 O HETATM 1940 O HOH 240 22.876 20.798 -5.430 1.00 17.36 O HETATM 1941 O HOH 241 -1.545 7.309 15.092 1.00 22.59 O HETATM 1942 O HOH 242 -1.848 32.518 29.853 1.00 33.36 O HETATM 1943 O HOH 243 -14.295 10.188 7.302 1.00 28.78 O HETATM 1944 O HOH 244 6.214 21.387 -11.957 1.00 24.79 O HETATM 1945 O HOH 245 -8.788 18.776 5.086 1.00 30.81 O HETATM 1946 O HOH 246 -1.457 23.744 30.678 1.00 32.71 O HETATM 1947 O HOH 247 -1.015 5.209 23.886 1.00 22.31 O HETATM 1948 O HOH 248 -20.407 13.817 17.037 1.00 19.49 O HETATM 1949 O HOH 249 8.325 20.234 28.421 1.00 23.28 O HETATM 1950 O HOH 250 5.899 24.838 29.176 1.00 45.44 O HETATM 1951 O HOH 251 -8.745 11.297 4.092 1.00 26.99 O HETATM 1952 O HOH 252 1.343 3.469 18.123 1.00 29.24 O HETATM 1953 O HOH 253 3.414 28.864 -8.152 1.00 27.89 O HETATM 1954 O HOH 254 -6.146 20.407 -3.443 1.00 33.35 O HETATM 1955 O HOH 255 -23.701 17.501 10.835 1.00 24.93 O HETATM 1956 O HOH 256 12.467 18.522 -10.494 1.00 30.46 O HETATM 1957 O HOH 257 25.008 21.253 5.670 1.00 19.30 O HETATM 1958 O HOH 258 11.044 19.924 31.907 1.00 24.07 O HETATM 1959 O HOH 259 -6.501 13.071 3.785 1.00 26.36 O HETATM 1960 O HOH 260 -25.069 7.179 15.887 1.00 25.93 O HETATM 1961 O HOH 261 0.348 4.044 22.023 1.00 19.59 O HETATM 1962 O HOH 262 25.064 13.798 -2.041 1.00 37.22 O HETATM 1963 O HOH 263 0.570 34.296 22.152 1.00 30.47 O HETATM 1964 O HOH 264 28.206 30.748 2.673 1.00 27.72 O HETATM 1965 O HOH 265 -4.771 10.782 0.731 1.00 33.75 O HETATM 1966 O HOH 266 10.434 21.990 27.862 1.00 37.43 O HETATM 1967 O HOH 267 -1.465 2.171 20.935 1.00 19.03 O HETATM 1968 O HOH 268 1.625 2.509 24.321 1.00 31.60 O HETATM 1969 O HOH 269 1.371 17.379 32.837 1.00 30.74 O HETATM 1970 O HOH 270 -9.890 18.743 29.198 1.00 43.98 O HETATM 1971 O HOH 271 -2.051 9.045 29.410 1.00 33.86 O HETATM 1972 O HOH 272 -4.741 21.054 32.574 1.00 41.97 O HETATM 1973 O HOH 273 -10.366 20.239 26.662 1.00 33.69 O HETATM 1974 O HOH 274 -10.753 15.317 27.209 1.00 35.77 O HETATM 1975 N PHE A 275 -17.224 24.966 24.455 1.00 0.24 N HETATM 1976 CA PHE A 275 -15.772 25.217 24.182 1.00 0.07 C HETATM 1977 C PHE A 275 -15.303 26.682 24.384 1.00 0.23 C HETATM 1978 O PHE A 275 -15.893 27.620 23.825 1.00 -0.39 O HETATM 1979 N PHE A 275 -14.247 26.857 25.183 1.00 -0.26 N HETATM 1980 CA PHE A 275 -13.235 27.897 24.918 1.00 0.13 C HETATM 1981 C PHE A 275 -11.836 27.312 25.185 1.00 0.20 C HETATM 1982 O PHE A 275 -11.700 26.303 25.879 1.00 -0.39 O HETATM 1983 N PHE A 275 -10.807 27.940 24.610 1.00 -0.26 N HETATM 1984 CA PHE A 275 -9.492 27.279 24.520 1.00 0.13 C HETATM 1985 C PHE A 275 -8.937 26.854 25.874 1.00 0.20 C HETATM 1986 O PHE A 275 -8.936 27.613 26.827 1.00 -0.39 O HETATM 1987 N PHE A 275 -8.522 25.593 25.967 1.00 -0.26 N HETATM 1988 CA PHE A 275 -7.911 24.996 27.127 1.00 0.14 C HETATM 1989 C PHE A 275 -8.838 24.812 28.335 1.00 0.21 C HETATM 1990 O PHE A 275 -8.319 24.584 29.442 1.00 -0.39 O HETATM 1991 N PHE A 275 -10.145 24.837 28.047 1.00 -0.26 N HETATM 1992 CA PHE A 275 -11.226 24.455 28.969 1.00 0.15 C HETATM 1993 C PHE A 275 -11.036 23.031 29.410 1.00 0.21 C HETATM 1994 O PHE A 275 -10.696 22.142 28.588 1.00 -0.39 O HETATM 1995 N PHE A 275 -11.246 22.816 30.709 1.00 -0.27 N HETATM 1996 CA PHE A 275 -11.070 21.523 31.317 1.00 0.12 C HETATM 1997 C PHE A 275 -9.649 21.269 31.766 1.00 0.20 C HETATM 1998 O PHE A 275 -8.779 22.145 31.690 1.00 -0.39 O HETATM 1999 N PHE A 275 -9.424 20.055 32.236 1.00 -0.26 N HETATM 2000 CA PHE A 275 -8.149 19.612 32.730 1.00 0.15 C HETATM 2001 C PHE A 275 -7.207 19.025 31.628 1.00 0.21 C HETATM 2002 O PHE A 275 -5.972 18.851 31.840 1.00 -0.39 O HETATM 2003 N PHE A 275 -7.783 18.706 30.486 1.00 -0.27 N HETATM 2004 CA PHE A 275 -6.975 18.082 29.446 1.00 0.12 C HETATM 2005 C PHE A 275 -6.588 16.686 29.761 1.00 0.20 C HETATM 2006 O PHE A 275 -7.040 16.096 30.727 1.00 -0.39 O HETATM 2007 N PHE A 275 -5.672 16.173 28.962 1.00 -0.26 N HETATM 2008 CA PHE A 275 -5.181 14.851 29.038 1.00 0.15 C HETATM 2009 C PHE A 275 -3.653 14.869 28.991 1.00 0.21 C HETATM 2010 O PHE A 275 -3.049 15.679 28.231 1.00 -0.39 O HETATM 2011 N PHE A 275 -3.011 13.951 29.681 1.00 -0.26 N HETATM 2012 CA PHE A 275 -1.575 13.877 29.693 1.00 0.13 C HETATM 2013 C PHE A 275 -1.126 12.675 28.901 1.00 0.20 C HETATM 2014 O PHE A 275 -1.726 11.550 29.002 1.00 -0.39 O HETATM 2015 N PHE A 275 -0.033 12.847 28.166 1.00 -0.27 N HETATM 2016 CA PHE A 275 0.581 11.752 27.449 1.00 0.09 C HETATM 2017 C PHE A 275 1.304 10.761 28.406 1.00 0.06 C HETATM 2018 O PHE A 275 1.643 11.138 29.547 1.00 -0.57 O HETATM 2019 OXT PHE A 275 1.563 9.587 28.068 1.00 -0.57 O HETATM 2020 CB PHE A 275 1.605 12.267 26.405 1.00 -0.02 C HETATM 2021 CG PHE A 275 1.027 13.010 25.201 1.00 -0.04 C HETATM 2022 CD1 PHE A 275 2.199 13.613 24.419 1.00 -0.06 C HETATM 2023 H79 PHE A 275 1.815 14.156 23.543 1.00 0.02 H HETATM 2024 H80 PHE A 275 2.870 12.808 24.085 1.00 0.02 H HETATM 2025 H81 PHE A 275 2.753 14.308 25.067 1.00 0.02 H HETATM 2026 CD2 PHE A 275 0.143 12.108 24.355 1.00 -0.06 C HETATM 2027 H82 PHE A 275 -0.674 11.710 24.974 1.00 0.02 H HETATM 2028 H83 PHE A 275 0.742 11.274 23.959 1.00 0.02 H HETATM 2029 H84 PHE A 275 -0.278 12.686 23.519 1.00 0.02 H HETATM 2030 H78 PHE A 275 0.399 13.835 25.569 1.00 0.03 H HETATM 2031 H76 PHE A 275 2.164 11.398 26.026 1.00 0.03 H HETATM 2032 H77 PHE A 275 2.295 12.950 26.921 1.00 0.03 H HETATM 2033 H75 PHE A 275 -0.214 11.206 26.920 1.00 0.07 H HETATM 2034 H74 PHE A 275 0.376 13.758 28.107 1.00 0.19 H HETATM 2035 CB PHE A 275 -1.006 13.802 31.105 1.00 -0.01 C HETATM 2036 CG PHE A 275 -1.322 15.068 31.864 1.00 -0.02 C HETATM 2037 CD PHE A 275 -0.635 15.286 33.232 1.00 0.06 C HETATM 2038 NE PHE A 275 -0.737 16.751 33.431 1.00 -0.27 N HETATM 2039 CZ PHE A 275 -1.635 17.412 34.185 1.00 0.29 C HETATM 2040 NH1 PHE A 275 -2.506 16.779 35.022 1.00 -0.28 N HETATM 2041 H70 PHE A 275 -3.176 17.328 35.580 1.00 0.26 H HETATM 2042 H71 PHE A 275 -2.494 15.752 35.097 1.00 0.26 H HETATM 2043 NH2 PHE A 275 -1.600 18.743 34.160 1.00 -0.28 N HETATM 2044 H72 PHE A 275 -0.945 19.229 33.531 1.00 0.26 H HETATM 2045 H73 PHE A 275 -2.228 19.286 34.770 1.00 0.26 H HETATM 2046 H69 PHE A 275 -0.042 17.329 32.937 1.00 0.26 H HETATM 2047 H67 PHE A 275 0.416 14.964 33.201 1.00 0.07 H HETATM 2048 H68 PHE A 275 -1.162 14.742 34.029 1.00 0.07 H HETATM 2049 H65 PHE A 275 -2.408 15.083 32.038 1.00 0.03 H HETATM 2050 H66 PHE A 275 -1.042 15.914 31.219 1.00 0.03 H HETATM 2051 H63 PHE A 275 0.085 13.674 31.050 1.00 0.03 H HETATM 2052 H64 PHE A 275 -1.450 12.944 31.630 1.00 0.03 H HETATM 2053 H62 PHE A 275 -1.181 14.784 29.212 1.00 0.08 H HETATM 2054 H61 PHE A 275 -3.536 13.286 30.212 1.00 0.19 H HETATM 2055 CB PHE A 275 -5.662 14.097 27.786 1.00 0.08 C HETATM 2056 CG PHE A 275 -7.197 14.049 27.649 1.00 0.18 C HETATM 2057 OD1 PHE A 275 -7.824 13.212 28.270 1.00 -0.40 O HETATM 2058 ND2 PHE A 275 -7.778 14.908 26.833 1.00 -0.30 N HETATM 2059 H59 PHE A 275 -8.772 14.900 26.724 1.00 0.18 H HETATM 2060 H60 PHE A 275 -7.224 15.567 26.324 1.00 0.18 H HETATM 2061 H57 PHE A 275 -5.284 13.065 27.834 1.00 0.06 H HETATM 2062 H58 PHE A 275 -5.249 14.597 26.898 1.00 0.06 H HETATM 2063 H56 PHE A 275 -5.536 14.360 29.956 1.00 0.08 H HETATM 2064 H55 PHE A 275 -5.297 16.765 28.249 1.00 0.19 H HETATM 2065 H53 PHE A 275 -6.059 18.676 29.312 1.00 0.08 H HETATM 2066 H54 PHE A 275 -7.552 18.081 28.509 1.00 0.08 H HETATM 2067 H52 PHE A 275 -8.755 18.889 30.336 1.00 0.19 H HETATM 2068 CB PHE A 275 -8.364 18.553 33.798 1.00 0.08 C HETATM 2069 OG PHE A 275 -8.554 17.268 33.230 1.00 -0.39 O HETATM 2070 H51 PHE A 275 -7.787 17.031 32.722 1.00 0.21 H HETATM 2071 H49 PHE A 275 -9.254 18.817 34.388 1.00 0.06 H HETATM 2072 H50 PHE A 275 -7.483 18.526 34.456 1.00 0.06 H HETATM 2073 H48 PHE A 275 -7.644 20.478 33.183 1.00 0.08 H HETATM 2074 H47 PHE A 275 -10.185 19.407 32.249 1.00 0.19 H HETATM 2075 H45 PHE A 275 -11.350 20.751 30.585 1.00 0.08 H HETATM 2076 H46 PHE A 275 -11.732 21.455 32.193 1.00 0.08 H HETATM 2077 H44 PHE A 275 -11.537 23.582 31.283 1.00 0.19 H HETATM 2078 CB PHE A 275 -12.610 24.602 28.303 1.00 0.08 C HETATM 2079 OG PHE A 275 -12.745 23.728 27.188 1.00 -0.39 O HETATM 2080 H43 PHE A 275 -12.643 22.829 27.478 1.00 0.21 H HETATM 2081 H41 PHE A 275 -12.734 25.640 27.961 1.00 0.06 H HETATM 2082 H42 PHE A 275 -13.390 24.363 29.041 1.00 0.06 H HETATM 2083 H40 PHE A 275 -11.186 25.113 29.850 1.00 0.08 H HETATM 2084 H39 PHE A 275 -10.408 25.140 27.131 1.00 0.19 H HETATM 2085 CB PHE A 275 -6.637 25.755 27.526 1.00 0.02 C HETATM 2086 CG PHE A 275 -5.741 26.069 26.385 1.00 -0.04 C HETATM 2087 CD1 PHE A 275 -5.159 25.027 25.594 1.00 -0.06 C HETATM 2088 CE1 PHE A 275 -4.319 25.359 24.548 1.00 -0.07 C HETATM 2089 CZ PHE A 275 -3.964 26.651 24.289 1.00 -0.07 C HETATM 2090 CE2 PHE A 275 -4.516 27.673 25.027 1.00 -0.07 C HETATM 2091 CD2 PHE A 275 -5.405 27.390 26.055 1.00 -0.06 C HETATM 2092 H35 PHE A 275 -5.848 28.206 26.614 1.00 0.06 H HETATM 2093 H37 PHE A 275 -4.256 28.702 24.805 1.00 0.06 H HETATM 2094 H38 PHE A 275 -3.249 26.872 23.504 1.00 0.06 H HETATM 2095 H36 PHE A 275 -3.931 24.570 23.915 1.00 0.06 H HETATM 2096 H34 PHE A 275 -5.375 23.988 25.814 1.00 0.06 H HETATM 2097 H32 PHE A 275 -6.078 25.139 28.246 1.00 0.05 H HETATM 2098 H33 PHE A 275 -6.933 26.700 28.004 1.00 0.05 H HETATM 2099 H31 PHE A 275 -7.601 23.985 26.823 1.00 0.08 H HETATM 2100 H30 PHE A 275 -8.645 25.010 25.163 1.00 0.19 H HETATM 2101 CB PHE A 275 -8.475 28.125 23.747 1.00 -0.02 C HETATM 2102 H27 PHE A 275 -7.513 27.594 23.706 1.00 0.03 H HETATM 2103 H28 PHE A 275 -8.339 29.091 24.256 1.00 0.03 H HETATM 2104 H29 PHE A 275 -8.843 28.297 22.725 1.00 0.03 H HETATM 2105 H26 PHE A 275 -9.646 26.357 23.940 1.00 0.08 H HETATM 2106 H25 PHE A 275 -10.929 28.861 24.240 1.00 0.19 H HETATM 2107 CB PHE A 275 -13.471 29.194 25.699 1.00 -0.01 C HETATM 2108 CG PHE A 275 -14.586 30.088 25.148 1.00 -0.02 C HETATM 2109 CD PHE A 275 -14.672 30.201 23.618 1.00 0.06 C HETATM 2110 NE PHE A 275 -13.377 30.301 22.936 1.00 -0.27 N HETATM 2111 CZ PHE A 275 -13.202 30.751 21.693 1.00 0.29 C HETATM 2112 NH1 PHE A 275 -14.227 31.183 20.960 1.00 -0.28 N HETATM 2113 H21 PHE A 275 -14.067 31.526 20.002 1.00 0.26 H HETATM 2114 H22 PHE A 275 -15.180 31.174 21.351 1.00 0.26 H HETATM 2115 NH2 PHE A 275 -11.975 30.786 21.180 1.00 -0.28 N HETATM 2116 H23 PHE A 275 -11.174 30.455 21.737 1.00 0.26 H HETATM 2117 H24 PHE A 275 -11.826 31.144 20.226 1.00 0.26 H HETATM 2118 H20 PHE A 275 -12.540 30.001 23.456 1.00 0.26 H HETATM 2119 H18 PHE A 275 -15.258 31.099 23.373 1.00 0.07 H HETATM 2120 H19 PHE A 275 -15.191 29.309 23.237 1.00 0.07 H HETATM 2121 H16 PHE A 275 -14.435 31.100 25.551 1.00 0.03 H HETATM 2122 H17 PHE A 275 -15.545 29.689 25.509 1.00 0.03 H HETATM 2123 H14 PHE A 275 -12.535 29.772 25.691 1.00 0.03 H HETATM 2124 H15 PHE A 275 -13.728 28.927 26.735 1.00 0.03 H HETATM 2125 H13 PHE A 275 -13.295 28.152 23.850 1.00 0.08 H HETATM 2126 H12 PHE A 275 -14.139 26.267 25.983 1.00 0.19 H HETATM 2127 CB PHE A 275 -15.424 24.802 22.738 1.00 0.04 C HETATM 2128 CG PHE A 275 -14.147 25.393 22.250 1.00 -0.04 C HETATM 2129 CD1 PHE A 275 -14.133 26.666 21.692 1.00 -0.06 C HETATM 2130 CE1 PHE A 275 -12.951 27.247 21.279 1.00 -0.07 C HETATM 2131 CZ PHE A 275 -11.766 26.552 21.431 1.00 -0.07 C HETATM 2132 CE2 PHE A 275 -11.774 25.273 21.997 1.00 -0.07 C HETATM 2133 CD2 PHE A 275 -12.956 24.707 22.410 1.00 -0.06 C HETATM 2134 H8 PHE A 275 -12.956 23.722 22.862 1.00 0.06 H HETATM 2135 H10 PHE A 275 -10.845 24.727 22.110 1.00 0.06 H HETATM 2136 H11 PHE A 275 -10.831 26.998 21.112 1.00 0.06 H HETATM 2137 H9 PHE A 275 -12.952 28.238 20.840 1.00 0.06 H HETATM 2138 H7 PHE A 275 -15.064 27.210 21.580 1.00 0.06 H HETATM 2139 H5 PHE A 275 -16.237 25.130 22.074 1.00 0.05 H HETATM 2140 H6 PHE A 275 -15.339 23.706 22.700 1.00 0.05 H HETATM 2141 H4 PHE A 275 -15.198 24.586 24.876 1.00 0.11 H HETATM 2142 H1 PHE A 275 -17.432 23.992 24.297 1.00 0.20 H HETATM 2143 H2 PHE A 275 -17.785 25.533 23.839 1.00 0.20 H HETATM 2144 H3 PHE A 275 -17.432 25.203 25.412 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1975 1976 2142 2143 2144 CONECT 1976 1975 1977 2127 2141 CONECT 1977 1976 1978 1979 CONECT 1978 1977 CONECT 1979 1977 1980 2126 CONECT 1980 1979 1981 2107 2125 CONECT 1981 1980 1982 1983 CONECT 1982 1981 CONECT 1983 1981 1984 2106 CONECT 1984 1983 1985 2101 2105 CONECT 1985 1984 1986 1987 CONECT 1986 1985 CONECT 1987 1985 1988 2100 CONECT 1988 1987 1989 2085 2099 CONECT 1989 1988 1990 1991 CONECT 1990 1989 CONECT 1991 1989 1992 2084 CONECT 1992 1991 1993 2078 2083 CONECT 1993 1992 1994 1995 CONECT 1994 1993 CONECT 1995 1993 1996 2077 CONECT 1996 1995 1997 2075 2076 CONECT 1997 1996 1998 1999 CONECT 1998 1997 CONECT 1999 1997 2000 2074 CONECT 2000 1999 2001 2068 2073 CONECT 2001 2000 2002 2003 CONECT 2002 2001 CONECT 2003 2001 2004 2067 CONECT 2004 2003 2005 2065 2066 CONECT 2005 2004 2006 2007 CONECT 2006 2005 CONECT 2007 2005 2008 2064 CONECT 2008 2007 2009 2055 2063 CONECT 2009 2008 2010 2011 CONECT 2010 2009 CONECT 2011 2009 2012 2054 CONECT 2012 2011 2013 2035 2053 CONECT 2013 2012 2014 2015 CONECT 2014 2013 CONECT 2015 2013 2016 2034 CONECT 2016 2015 2017 2020 2033 CONECT 2017 2016 2018 2019 CONECT 2018 2017 CONECT 2019 2017 CONECT 2020 2016 2021 2031 2032 CONECT 2021 2020 2022 2026 2030 CONECT 2022 2021 2023 2024 2025 CONECT 2023 2022 CONECT 2024 2022 CONECT 2025 2022 CONECT 2026 2021 2027 2028 2029 CONECT 2027 2026 CONECT 2028 2026 CONECT 2029 2026 CONECT 2030 2021 CONECT 2031 2020 CONECT 2032 2020 CONECT 2033 2016 CONECT 2034 2015 CONECT 2035 2012 2036 2051 2052 CONECT 2036 2035 2037 2049 2050 CONECT 2037 2036 2038 2047 2048 CONECT 2038 2037 2039 2046 CONECT 2039 2038 2040 2043 CONECT 2040 2039 2041 2042 CONECT 2041 2040 CONECT 2042 2040 CONECT 2043 2039 2044 2045 CONECT 2044 2043 CONECT 2045 2043 CONECT 2046 2038 CONECT 2047 2037 CONECT 2048 2037 CONECT 2049 2036 CONECT 2050 2036 CONECT 2051 2035 CONECT 2052 2035 CONECT 2053 2012 CONECT 2054 2011 CONECT 2055 2008 2056 2061 2062 CONECT 2056 2055 2057 2058 CONECT 2057 2056 CONECT 2058 2056 2059 2060 CONECT 2059 2058 CONECT 2060 2058 CONECT 2061 2055 CONECT 2062 2055 CONECT 2063 2008 CONECT 2064 2007 CONECT 2065 2004 CONECT 2066 2004 CONECT 2067 2003 CONECT 2068 2000 2069 2071 2072 CONECT 2069 2068 2070 CONECT 2070 2069 CONECT 2071 2068 CONECT 2072 2068 CONECT 2073 2000 CONECT 2074 1999 CONECT 2075 1996 CONECT 2076 1996 CONECT 2077 1995 CONECT 2078 1992 2079 2081 2082 CONECT 2079 2078 2080 CONECT 2080 2079 CONECT 2081 2078 CONECT 2082 2078 CONECT 2083 1992 CONECT 2084 1991 CONECT 2085 1988 2086 2097 2098 CONECT 2086 2085 2087 2091 CONECT 2087 2086 2088 2096 CONECT 2088 2087 2089 2095 CONECT 2089 2088 2090 2094 CONECT 2090 2089 2091 2093 CONECT 2091 2086 2090 2092 CONECT 2092 2091 CONECT 2093 2090 CONECT 2094 2089 CONECT 2095 2088 CONECT 2096 2087 CONECT 2097 2085 CONECT 2098 2085 CONECT 2099 1988 CONECT 2100 1987 CONECT 2101 1984 2102 2103 2104 CONECT 2102 2101 CONECT 2103 2101 CONECT 2104 2101 CONECT 2105 1984 CONECT 2106 1983 CONECT 2107 1980 2108 2123 2124 CONECT 2108 2107 2109 2121 2122 CONECT 2109 2108 2110 2119 2120 CONECT 2110 2109 2111 2118 CONECT 2111 2110 2112 2115 CONECT 2112 2111 2113 2114 CONECT 2113 2112 CONECT 2114 2112 CONECT 2115 2111 2116 2117 CONECT 2116 2115 CONECT 2117 2115 CONECT 2118 2110 CONECT 2119 2109 CONECT 2120 2109 CONECT 2121 2108 CONECT 2122 2108 CONECT 2123 2107 CONECT 2124 2107 CONECT 2125 1980 CONECT 2126 1979 CONECT 2127 1976 2128 2139 2140 CONECT 2128 2127 2129 2133 CONECT 2129 2128 2130 2138 CONECT 2130 2129 2131 2137 CONECT 2131 2130 2132 2136 CONECT 2132 2131 2133 2135 CONECT 2133 2128 2132 2134 CONECT 2134 2133 CONECT 2135 2132 CONECT 2136 2131 CONECT 2137 2130 CONECT 2138 2129 CONECT 2139 2127 CONECT 2140 2127 CONECT 2141 1976 CONECT 2142 1975 CONECT 2143 1975 CONECT 2144 1975 MASTER 0 0 0 0 0 0 0 0 2143 1 174 14 END
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Entry Information
PDB ID
5b6c
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
hexameric ATPase p97
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
Kd=221uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) PLoS ONE Vol. 11: pp. e0163394-e0163394
Ligand Properties
Formula
C
5
3
H
8
5
N
1
8
O
1
5
Molecular Weight
1214.350
Exact Mass
1213.640
No. of atoms
171
No. of bonds
172
Polar Surface Area
571.51
LOGP Value
-2.76 (
Computed with XLOGP3
)
-5.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 50
No. of Nitrogen and Oxygen Atoms: 33
No. of Rings: 2
Canonical SMILES
OC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCC[NH+]=C(N)N)CC(=O)N)CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH3+])CCC[NH+]=C(N)N)C
InChI String
InChI=1S/C53H82N18O15/c1-28(2)20-37(51(85)86)70-48(82)34(17-11-19-61-53(58)59)68-50(84)36(23-40(55)74)65-41(75)24-62-45(79)38(26-72)66-42(76)25-63-46(80)39(27-73)71-49(83)35(22-31-14-8-5-9-15-31)69-43(77)29(3)64-47(81)33(16-10-18-60-52(56)57)67-44(78)32(54)21-30-12-6-4-7-13-30/h4-9,12-15,28-29,32-39,72-73H,10-11,16-27,54H2,1-3H3,(H2,55,74)(H,62,79)(H,63,80)(H,64,81)(H,65,75)(H,66,76)(H,67,78)(H,68,84)(H,69,77)(H,70,82)(H,71,83)(H,85,86)(H4,56,57,60)(H4,58,59,61)/p+3/t29-,32-,33-,34-,35-,36-,37-,38-,39-/m0/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):
Q92890
P55072
Entrez Gene ID
NCBI Entrez Gene ID:
7353
7415
ASD
Information of known allosteric effects of PDB entries
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