Browse entries in the PDBbind-CN Database
HEADER 4W57_COMPLEX COMPND 4W57_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 164 MET ASN ILE PHE GLU MET LEU ARG ILE ASP GLU GLY LEU SEQRES 2 A 164 ARG LEU LYS ILE TYR LYS ASP THR GLU GLY TYR TYR THR SEQRES 3 A 164 ILE GLY ILE GLY HIS LEU LEU THR LYS SER PRO SER LEU SEQRES 4 A 164 ASN ALA ALA LYS SER GLU LEU ASP LYS ALA ILE GLY ARG SEQRES 5 A 164 ASN CYS ASN GLY VAL ILE THR LYS ASP GLU ALA GLU LYS SEQRES 6 A 164 LEU PHE ASN GLN ASP VAL ASP ALA ALA VAL ARG GLY ILE SEQRES 7 A 164 LEU ARG ASN ALA LYS LEU LYS PRO VAL TYR ASP SER LEU SEQRES 8 A 164 ASP ALA VAL ARG ARG CYS ALA ALA ILE ASN MET VAL PHE SEQRES 9 A 164 GLN MET GLY GLU THR GLY VAL ALA GLY PHE THR ASN SER SEQRES 10 A 164 LEU ARG MET LEU GLN GLN LYS ARG TRP ASP GLU ALA ALA SEQRES 11 A 164 VAL ASN LEU ALA LYS SER ARG TRP TYR ASN GLN THR PRO SEQRES 12 A 164 ASN ARG ALA LYS ARG VAL ILE THR THR PHE ARG THR GLY SEQRES 13 A 164 THR TRP ASP ALA TYR LYS ASN LEU HET N A 4B 24 ATOM 1 N MET A 1 -41.574 39.047 7.230 1.00 29.58 N ATOM 2 CA MET A 1 -40.720 37.875 7.110 1.00 18.45 C ATOM 3 C MET A 1 -41.481 36.672 6.556 1.00 17.06 C ATOM 4 O MET A 1 -42.676 36.498 6.800 1.00 16.77 O ATOM 5 CB MET A 1 -40.104 37.531 8.465 1.00 20.59 C ATOM 6 CG MET A 1 -39.173 36.337 8.442 1.00 14.55 C ATOM 7 SD MET A 1 -37.532 36.705 7.814 1.00 16.22 S ATOM 8 CE MET A 1 -37.061 38.064 8.883 1.00 25.83 C ATOM 9 HN3 MET A 1 -42.363 38.835 7.873 1.00 0.00 H ATOM 10 HN2 MET A 1 -41.947 39.300 6.293 1.00 0.00 H ATOM 11 HN1 MET A 1 -41.020 39.841 7.609 1.00 0.00 H ATOM 12 N ASN A 2 -40.777 35.851 5.794 1.00 12.16 N ATOM 13 CA ASN A 2 -41.332 34.617 5.262 1.00 10.75 C ATOM 14 C ASN A 2 -40.204 33.589 5.222 1.00 9.56 C ATOM 15 O ASN A 2 -39.062 33.907 5.568 1.00 9.71 O ATOM 16 CB ASN A 2 -41.931 34.848 3.867 1.00 11.80 C ATOM 17 CG ASN A 2 -40.931 35.441 2.892 1.00 12.26 C ATOM 18 OD1 ASN A 2 -39.911 34.823 2.584 1.00 11.48 O ATOM 19 ND2 ASN A 2 -41.226 36.636 2.388 1.00 12.93 N ATOM 20 HD22 ASN A 2 -42.099 37.121 2.677 1.00 0.00 H ATOM 21 HD21 ASN A 2 -40.583 37.085 1.705 1.00 0.00 H ATOM 22 H ASN A 2 -39.792 36.097 5.568 1.00 0.00 H ATOM 23 N ILE A 3 -40.517 32.367 4.802 1.00 9.44 N ATOM 24 CA ILE A 3 -39.540 31.279 4.837 1.00 9.08 C ATOM 25 C ILE A 3 -38.314 31.555 3.962 1.00 8.96 C ATOM 26 O ILE A 3 -37.194 31.147 4.294 1.00 8.82 O ATOM 27 CB ILE A 3 -40.184 29.914 4.461 1.00 9.31 C ATOM 28 CG1 ILE A 3 -39.164 28.782 4.573 1.00 8.65 C ATOM 29 CG2 ILE A 3 -40.769 29.963 3.053 1.00 9.54 C ATOM 30 CD1 ILE A 3 -38.596 28.589 5.984 1.00 10.14 C ATOM 31 H ILE A 3 -41.475 32.181 4.442 1.00 0.00 H ATOM 32 N PHE A 4 -38.510 32.257 2.851 1.00 7.70 N ATOM 33 CA PHE A 4 -37.374 32.593 1.997 1.00 7.81 C ATOM 34 C PHE A 4 -36.436 33.594 2.659 1.00 9.64 C ATOM 35 O PHE A 4 -35.218 33.429 2.620 1.00 9.75 O ATOM 36 CB PHE A 4 -37.839 33.076 0.619 1.00 9.48 C ATOM 37 CG PHE A 4 -38.507 32.004 -0.178 1.00 9.00 C ATOM 38 CD1 PHE A 4 -37.756 31.125 -0.939 1.00 12.59 C ATOM 39 CD2 PHE A 4 -39.879 31.845 -0.133 1.00 10.26 C ATOM 40 CE1 PHE A 4 -38.365 30.118 -1.658 1.00 14.10 C ATOM 41 CE2 PHE A 4 -40.492 30.838 -0.845 1.00 14.33 C ATOM 42 CZ PHE A 4 -39.736 29.977 -1.608 1.00 12.88 C ATOM 43 H PHE A 4 -39.468 32.566 2.591 1.00 0.00 H ATOM 44 N GLU A 5 -36.997 34.623 3.285 1.00 9.73 N ATOM 45 CA GLU A 5 -36.164 35.600 3.973 1.00 9.95 C ATOM 46 C GLU A 5 -35.436 34.965 5.154 1.00 9.82 C ATOM 47 O GLU A 5 -34.269 35.262 5.409 1.00 10.67 O ATOM 48 CB GLU A 5 -36.996 36.810 4.406 1.00 10.57 C ATOM 49 CG GLU A 5 -37.533 37.602 3.212 1.00 11.18 C ATOM 50 CD GLU A 5 -38.365 38.813 3.607 1.00 27.24 C ATOM 51 OE1 GLU A 5 -38.731 38.935 4.791 1.00 29.55 O ATOM 52 OE2 GLU A 5 -38.656 39.648 2.724 1.00 25.67 O ATOM 53 H GLU A 5 -38.031 34.731 3.284 1.00 0.00 H ATOM 54 N MET A 6 -36.132 34.079 5.856 1.00 9.42 N ATOM 55 CA MET A 6 -35.592 33.427 7.045 1.00 7.51 C ATOM 56 C MET A 6 -34.390 32.561 6.678 1.00 8.68 C ATOM 57 O MET A 6 -33.318 32.657 7.292 1.00 7.09 O ATOM 58 CB MET A 6 -36.679 32.567 7.675 1.00 8.65 C ATOM 59 CG MET A 6 -36.306 31.911 8.991 1.00 8.28 C ATOM 60 SD MET A 6 -37.475 30.578 9.318 1.00 8.93 S ATOM 61 CE MET A 6 -37.337 30.413 11.097 1.00 10.42 C ATOM 62 H MET A 6 -37.096 33.841 5.548 1.00 0.00 H ATOM 63 N LEU A 7 -34.567 31.708 5.673 1.00 8.61 N ATOM 64 CA LEU A 7 -33.492 30.812 5.262 1.00 5.24 C ATOM 65 C LEU A 7 -32.355 31.565 4.585 1.00 8.82 C ATOM 66 O LEU A 7 -31.201 31.161 4.694 1.00 9.96 O ATOM 67 CB LEU A 7 -34.023 29.688 4.361 1.00 8.58 C ATOM 68 CG LEU A 7 -34.614 28.517 5.152 1.00 9.28 C ATOM 69 CD1 LEU A 7 -35.403 27.597 4.229 1.00 10.41 C ATOM 70 CD2 LEU A 7 -33.511 27.745 5.887 1.00 8.71 C ATOM 71 H LEU A 7 -35.480 31.680 5.176 1.00 0.00 H ATOM 72 N ARG A 8 -32.673 32.662 3.899 1.00 8.34 N ATOM 73 CA ARG A 8 -31.630 33.484 3.285 1.00 9.99 C ATOM 74 C ARG A 8 -30.722 34.067 4.371 1.00 11.12 C ATOM 75 O ARG A 8 -29.503 34.133 4.209 1.00 10.41 O ATOM 76 CB ARG A 8 -32.248 34.596 2.433 1.00 12.15 C ATOM 77 CG ARG A 8 -31.263 35.637 1.930 1.00 15.15 C ATOM 78 CD ARG A 8 -30.194 35.036 1.030 1.00 17.04 C ATOM 79 NE ARG A 8 -29.311 36.082 0.517 1.00 21.32 N ATOM 80 CZ ARG A 8 -28.288 36.600 1.195 1.00 26.04 C ATOM 81 NH1 ARG A 8 -28.007 36.166 2.413 1.00 22.20 N ATOM 82 NH2 ARG A 8 -27.544 37.556 0.651 1.00 31.35 N ATOM 83 HE ARG A 8 -29.493 36.446 -0.440 1.00 0.00 H ATOM 84 HH12 ARG A 8 -27.207 36.573 2.939 1.00 0.00 H ATOM 85 HH11 ARG A 8 -28.586 35.418 2.845 1.00 0.00 H ATOM 86 HH22 ARG A 8 -26.746 37.959 1.182 1.00 0.00 H ATOM 87 HH21 ARG A 8 -27.760 37.902 -0.306 1.00 0.00 H ATOM 88 H ARG A 8 -33.671 32.936 3.799 1.00 0.00 H ATOM 89 N ILE A 9 -31.314 34.474 5.491 1.00 8.90 N ATOM 90 CA ILE A 9 -30.528 34.935 6.633 1.00 10.51 C ATOM 91 C ILE A 9 -29.678 33.802 7.217 1.00 10.23 C ATOM 92 O ILE A 9 -28.478 33.969 7.475 1.00 11.82 O ATOM 93 CB ILE A 9 -31.441 35.530 7.730 1.00 10.92 C ATOM 94 CG1 ILE A 9 -31.989 36.880 7.274 1.00 11.80 C ATOM 95 CG2 ILE A 9 -30.685 35.664 9.064 1.00 14.49 C ATOM 96 CD1 ILE A 9 -33.125 37.386 8.115 1.00 13.61 C ATOM 97 H ILE A 9 -32.352 34.464 5.554 1.00 0.00 H ATOM 98 N ASP A 10 -30.290 32.641 7.420 1.00 9.50 N ATOM 99 CA ASP A 10 -29.583 31.523 8.042 1.00 10.09 C ATOM 100 C ASP A 10 -28.506 30.869 7.158 1.00 10.08 C ATOM 101 O ASP A 10 -27.486 30.397 7.672 1.00 14.03 O ATOM 102 CB ASP A 10 -30.572 30.460 8.529 1.00 9.19 C ATOM 103 CG ASP A 10 -31.346 30.904 9.763 1.00 11.71 C ATOM 104 OD1 ASP A 10 -30.837 31.774 10.505 1.00 11.48 O ATOM 105 OD2 ASP A 10 -32.455 30.376 10.004 1.00 11.25 O ATOM 106 H ASP A 10 -31.283 32.526 7.133 1.00 0.00 H ATOM 107 N GLU A 11 -28.730 30.833 5.845 1.00 10.94 N ATOM 108 CA GLU A 11 -27.826 30.122 4.934 1.00 9.71 C ATOM 109 C GLU A 11 -26.848 31.037 4.200 1.00 10.68 C ATOM 110 O GLU A 11 -25.801 30.587 3.721 1.00 13.95 O ATOM 111 CB GLU A 11 -28.634 29.319 3.901 1.00 9.78 C ATOM 112 CG GLU A 11 -29.559 28.252 4.491 1.00 12.63 C ATOM 113 CD GLU A 11 -28.822 27.042 5.069 1.00 18.10 C ATOM 114 OE1 GLU A 11 -27.575 26.980 4.971 1.00 20.11 O ATOM 115 OE2 GLU A 11 -29.494 26.139 5.619 1.00 19.89 O ATOM 116 H GLU A 11 -29.564 31.319 5.458 1.00 0.00 H ATOM 117 N GLY A 12 -27.201 32.312 4.083 1.00 11.13 N ATOM 118 CA GLY A 12 -26.405 33.251 3.315 1.00 12.99 C ATOM 119 C GLY A 12 -26.534 33.005 1.822 1.00 14.60 C ATOM 120 O GLY A 12 -27.366 32.211 1.377 1.00 12.47 O ATOM 121 H GLY A 12 -28.067 32.645 4.552 1.00 0.00 H ATOM 122 N LEU A 13 -25.714 33.705 1.047 1.00 13.68 N ATOM 123 CA LEU A 13 -25.678 33.512 -0.395 1.00 13.34 C ATOM 124 C LEU A 13 -24.232 33.529 -0.864 1.00 14.86 C ATOM 125 O LEU A 13 -23.527 34.525 -0.696 1.00 15.01 O ATOM 126 CB LEU A 13 -26.477 34.603 -1.108 1.00 14.03 C ATOM 127 CG LEU A 13 -26.274 34.727 -2.623 1.00 19.81 C ATOM 128 CD1 LEU A 13 -26.821 33.509 -3.351 1.00 18.56 C ATOM 129 CD2 LEU A 13 -26.941 35.992 -3.136 1.00 23.88 C ATOM 130 H LEU A 13 -25.082 34.408 1.481 1.00 0.00 H ATOM 131 N ARG A 14 -23.791 32.413 -1.432 1.00 11.90 N ATOM 132 CA ARG A 14 -22.455 32.318 -2.006 1.00 12.30 C ATOM 133 C ARG A 14 -22.559 31.732 -3.409 1.00 14.15 C ATOM 134 O ARG A 14 -23.238 30.729 -3.623 1.00 13.04 O ATOM 135 CB ARG A 14 -21.532 31.478 -1.111 1.00 14.45 C ATOM 136 CG ARG A 14 -21.341 32.069 0.292 1.00 14.42 C ATOM 137 CD ARG A 14 -20.341 31.274 1.142 1.00 17.05 C ATOM 138 NE ARG A 14 -18.976 31.359 0.627 1.00 22.34 N ATOM 139 CZ ARG A 14 -17.903 30.885 1.255 1.00 24.61 C ATOM 140 NH1 ARG A 14 -18.022 30.290 2.437 1.00 13.95 N ATOM 141 NH2 ARG A 14 -16.704 31.010 0.701 1.00 23.78 N ATOM 142 HE ARG A 14 -18.834 31.822 -0.293 1.00 0.00 H ATOM 143 HH12 ARG A 14 -17.178 29.922 2.921 1.00 0.00 H ATOM 144 HH11 ARG A 14 -18.959 30.192 2.878 1.00 0.00 H ATOM 145 HH22 ARG A 14 -15.864 30.640 1.190 1.00 0.00 H ATOM 146 HH21 ARG A 14 -16.604 31.478 -0.222 1.00 0.00 H ATOM 147 H ARG A 14 -24.417 31.583 -1.468 1.00 0.00 H ATOM 148 N LEU A 15 -21.903 32.374 -4.372 1.00 11.36 N ATOM 149 CA LEU A 15 -22.054 31.978 -5.770 1.00 10.58 C ATOM 150 C LEU A 15 -20.994 31.001 -6.271 1.00 15.79 C ATOM 151 O LEU A 15 -21.071 30.520 -7.404 1.00 14.92 O ATOM 152 CB LEU A 15 -22.092 33.220 -6.666 1.00 11.19 C ATOM 153 CG LEU A 15 -23.214 34.223 -6.377 1.00 17.47 C ATOM 154 CD1 LEU A 15 -23.200 35.362 -7.392 1.00 19.84 C ATOM 155 CD2 LEU A 15 -24.569 33.528 -6.368 1.00 15.81 C ATOM 156 H LEU A 15 -21.276 33.167 -4.127 1.00 0.00 H ATOM 157 N LYS A 16 -20.013 30.705 -5.430 1.00 10.58 N ATOM 158 CA LYS A 16 -18.993 29.723 -5.758 1.00 9.18 C ATOM 159 C LYS A 16 -19.080 28.569 -4.765 1.00 10.46 C ATOM 160 O LYS A 16 -19.471 28.765 -3.607 1.00 13.94 O ATOM 161 CB LYS A 16 -17.602 30.368 -5.706 1.00 18.39 C ATOM 162 H LYS A 16 -19.972 31.189 -4.510 1.00 0.00 H ATOM 163 N ILE A 17 -18.731 27.368 -5.208 1.00 9.42 N ATOM 164 CA ILE A 17 -18.753 26.208 -4.321 1.00 8.52 C ATOM 165 C ILE A 17 -18.009 26.488 -3.020 1.00 13.46 C ATOM 166 O ILE A 17 -16.880 26.984 -3.033 1.00 14.21 O ATOM 167 CB ILE A 17 -18.157 24.962 -4.998 1.00 11.32 C ATOM 168 CG1 ILE A 17 -19.056 24.511 -6.156 1.00 10.02 C ATOM 169 CG2 ILE A 17 -17.980 23.833 -3.991 1.00 14.16 C ATOM 170 CD1 ILE A 17 -18.505 23.337 -6.950 1.00 13.23 C ATOM 171 H ILE A 17 -18.438 27.251 -6.199 1.00 0.00 H ATOM 172 N TYR A 18 -18.655 26.172 -1.901 1.00 9.21 N ATOM 173 CA TYR A 18 -18.052 26.355 -0.585 1.00 12.12 C ATOM 174 C TYR A 18 -18.321 25.127 0.275 1.00 11.98 C ATOM 175 O TYR A 18 -19.102 24.256 -0.103 1.00 11.56 O ATOM 176 CB TYR A 18 -18.599 27.621 0.098 1.00 12.61 C ATOM 177 CG TYR A 18 -20.089 27.616 0.417 1.00 12.04 C ATOM 178 CD1 TYR A 18 -21.029 27.974 -0.544 1.00 12.78 C ATOM 179 CD2 TYR A 18 -20.552 27.303 1.698 1.00 15.53 C ATOM 180 CE1 TYR A 18 -22.389 27.998 -0.254 1.00 14.38 C ATOM 181 CE2 TYR A 18 -21.917 27.321 1.996 1.00 13.65 C ATOM 182 CZ TYR A 18 -22.828 27.665 1.014 1.00 20.72 C ATOM 183 OH TYR A 18 -24.184 27.686 1.302 1.00 18.08 O ATOM 184 HH TYR A 18 -24.356 28.337 2.027 1.00 0.00 H ATOM 185 H TYR A 18 -19.617 25.783 -1.966 1.00 0.00 H ATOM 186 N LYS A 19 -17.669 25.039 1.429 1.00 10.94 N ATOM 187 CA LYS A 19 -18.001 23.970 2.360 1.00 12.58 C ATOM 188 C LYS A 19 -18.917 24.515 3.432 1.00 11.17 C ATOM 189 O LYS A 19 -18.668 25.596 3.968 1.00 15.67 O ATOM 190 CB LYS A 19 -16.749 23.374 2.989 1.00 13.58 C ATOM 191 CG LYS A 19 -15.924 22.535 2.040 1.00 16.27 C ATOM 192 CD LYS A 19 -14.744 21.927 2.770 1.00 15.77 C ATOM 193 CE LYS A 19 -13.948 21.002 1.870 1.00 22.73 C ATOM 194 NZ LYS A 19 -12.759 20.461 2.590 1.00 25.84 N ATOM 195 HZ1 LYS A 19 -12.148 21.248 2.889 1.00 0.00 H ATOM 196 HZ2 LYS A 19 -13.074 19.929 3.426 1.00 0.00 H ATOM 197 HZ3 LYS A 19 -12.228 19.830 1.956 1.00 0.00 H ATOM 198 H LYS A 19 -16.927 25.728 1.666 1.00 0.00 H ATOM 199 N ASP A 20 -19.979 23.772 3.735 1.00 10.47 N ATOM 200 CA ASP A 20 -20.948 24.201 4.733 1.00 12.19 C ATOM 201 C ASP A 20 -20.383 23.947 6.124 1.00 15.11 C ATOM 202 O ASP A 20 -19.217 23.579 6.264 1.00 13.71 O ATOM 203 CB ASP A 20 -22.316 23.527 4.527 1.00 16.31 C ATOM 204 CG ASP A 20 -22.319 22.040 4.862 1.00 18.81 C ATOM 205 OD1 ASP A 20 -21.295 21.493 5.325 1.00 15.86 O ATOM 206 OD2 ASP A 20 -23.380 21.405 4.666 1.00 24.34 O ATOM 207 H ASP A 20 -20.120 22.864 3.248 1.00 0.00 H ATOM 208 N THR A 21 -21.196 24.136 7.155 1.00 13.74 N ATOM 209 CA THR A 21 -20.738 24.001 8.537 1.00 12.64 C ATOM 210 C THR A 21 -20.254 22.588 8.857 1.00 15.19 C ATOM 211 O THR A 21 -19.504 22.376 9.811 1.00 14.48 O ATOM 212 CB THR A 21 -21.859 24.366 9.538 1.00 15.27 C ATOM 213 OG1 THR A 21 -22.912 23.400 9.449 1.00 15.01 O ATOM 214 CG2 THR A 21 -22.419 25.755 9.254 1.00 14.85 C ATOM 215 HG1 THR A 21 -23.629 23.635 10.090 1.00 0.00 H ATOM 216 H THR A 21 -22.189 24.388 6.975 1.00 0.00 H ATOM 217 N GLU A 22 -20.715 21.608 8.076 1.00 12.83 N ATOM 218 CA GLU A 22 -20.341 20.214 8.306 1.00 13.50 C ATOM 219 C GLU A 22 -19.176 19.773 7.417 1.00 13.33 C ATOM 220 O GLU A 22 -18.736 18.622 7.481 1.00 15.24 O ATOM 221 CB GLU A 22 -21.534 19.282 8.076 1.00 13.74 C ATOM 222 CG GLU A 22 -22.731 19.555 8.964 1.00 18.32 C ATOM 223 CD GLU A 22 -22.547 19.060 10.390 1.00 20.63 C ATOM 224 OE1 GLU A 22 -21.527 18.400 10.679 1.00 18.79 O ATOM 225 OE2 GLU A 22 -23.438 19.331 11.222 1.00 20.20 O ATOM 226 H GLU A 22 -21.353 21.841 7.288 1.00 0.00 H ATOM 227 N GLY A 23 -18.684 20.690 6.588 1.00 12.45 N ATOM 228 CA GLY A 23 -17.586 20.399 5.681 1.00 12.15 C ATOM 229 C GLY A 23 -17.989 19.847 4.323 1.00 12.23 C ATOM 230 O GLY A 23 -17.141 19.367 3.574 1.00 15.22 O ATOM 231 H GLY A 23 -19.098 21.644 6.589 1.00 0.00 H ATOM 232 N TYR A 24 -19.277 19.923 3.997 1.00 11.67 N ATOM 233 CA TYR A 24 -19.784 19.404 2.720 1.00 11.35 C ATOM 234 C TYR A 24 -19.875 20.466 1.633 1.00 9.24 C ATOM 235 O TYR A 24 -20.287 21.598 1.881 1.00 11.06 O ATOM 236 CB TYR A 24 -21.178 18.811 2.896 1.00 11.62 C ATOM 237 CG TYR A 24 -21.267 17.668 3.872 1.00 14.58 C ATOM 238 CD1 TYR A 24 -20.356 16.624 3.835 1.00 18.76 C ATOM 239 CD2 TYR A 24 -22.270 17.635 4.828 1.00 16.94 C ATOM 240 CE1 TYR A 24 -20.443 15.571 4.735 1.00 23.59 C ATOM 241 CE2 TYR A 24 -22.365 16.591 5.729 1.00 22.21 C ATOM 242 CZ TYR A 24 -21.451 15.564 5.678 1.00 28.00 C ATOM 243 OH TYR A 24 -21.550 14.522 6.575 1.00 31.06 O ATOM 244 HH TYR A 24 -20.823 13.872 6.405 1.00 0.00 H ATOM 245 H TYR A 24 -19.943 20.362 4.665 1.00 0.00 H ATOM 246 N TYR A 25 -19.522 20.084 0.412 1.00 9.26 N ATOM 247 CA TYR A 25 -19.599 21.012 -0.708 1.00 8.99 C ATOM 248 C TYR A 25 -21.034 21.449 -0.969 1.00 9.20 C ATOM 249 O TYR A 25 -21.942 20.623 -1.090 1.00 9.68 O ATOM 250 CB TYR A 25 -19.000 20.397 -1.964 1.00 9.05 C ATOM 251 CG TYR A 25 -17.506 20.222 -1.877 1.00 9.40 C ATOM 252 CD1 TYR A 25 -16.670 21.326 -1.767 1.00 13.77 C ATOM 253 CD2 TYR A 25 -16.931 18.957 -1.921 1.00 13.98 C ATOM 254 CE1 TYR A 25 -15.295 21.176 -1.693 1.00 16.38 C ATOM 255 CE2 TYR A 25 -15.557 18.797 -1.850 1.00 15.45 C ATOM 256 CZ TYR A 25 -14.748 19.909 -1.737 1.00 21.62 C ATOM 257 OH TYR A 25 -13.381 19.756 -1.665 1.00 26.83 O ATOM 258 HH TYR A 25 -12.954 20.646 -1.588 1.00 0.00 H ATOM 259 H TYR A 25 -19.187 19.112 0.253 1.00 0.00 H ATOM 260 N THR A 26 -21.198 22.760 -1.082 1.00 6.97 N ATOM 261 CA THR A 26 -22.493 23.420 -1.105 1.00 8.66 C ATOM 262 C THR A 26 -22.364 24.622 -2.027 1.00 10.85 C ATOM 263 O THR A 26 -21.257 25.067 -2.324 1.00 10.73 O ATOM 264 CB THR A 26 -22.851 23.884 0.333 1.00 10.83 C ATOM 265 OG1 THR A 26 -22.890 22.738 1.191 1.00 12.82 O ATOM 266 CG2 THR A 26 -24.208 24.584 0.389 1.00 11.27 C ATOM 267 HG1 THR A 26 -22.004 22.297 1.191 1.00 0.00 H ATOM 268 H THR A 26 -20.347 23.353 -1.159 1.00 0.00 H ATOM 269 N ILE A 27 -23.481 25.156 -2.500 1.00 8.91 N ATOM 270 CA ILE A 27 -23.422 26.388 -3.267 1.00 8.28 C ATOM 271 C ILE A 27 -24.710 27.165 -3.070 1.00 8.91 C ATOM 272 O ILE A 27 -25.689 26.619 -2.576 1.00 8.90 O ATOM 273 CB ILE A 27 -23.185 26.108 -4.771 1.00 8.44 C ATOM 274 CG1 ILE A 27 -22.740 27.389 -5.493 1.00 11.28 C ATOM 275 CG2 ILE A 27 -24.427 25.462 -5.406 1.00 11.89 C ATOM 276 CD1 ILE A 27 -22.023 27.137 -6.818 1.00 12.59 C ATOM 277 H ILE A 27 -24.396 24.695 -2.323 1.00 0.00 H ATOM 278 N GLY A 28 -24.703 28.443 -3.434 1.00 8.53 N ATOM 279 CA GLY A 28 -25.921 29.236 -3.420 1.00 9.71 C ATOM 280 C GLY A 28 -26.421 29.525 -2.018 1.00 10.52 C ATOM 281 O GLY A 28 -25.662 29.968 -1.150 1.00 10.70 O ATOM 282 H GLY A 28 -23.810 28.884 -3.734 1.00 0.00 H ATOM 283 N ILE A 29 -27.710 29.281 -1.805 1.00 8.15 N ATOM 284 CA ILE A 29 -28.332 29.500 -0.508 1.00 8.55 C ATOM 285 C ILE A 29 -28.492 28.146 0.182 1.00 7.40 C ATOM 286 O ILE A 29 -29.585 27.591 0.279 1.00 9.98 O ATOM 287 CB ILE A 29 -29.682 30.228 -0.663 1.00 9.32 C ATOM 288 CG1 ILE A 29 -29.489 31.495 -1.508 1.00 13.45 C ATOM 289 CG2 ILE A 29 -30.278 30.553 0.705 1.00 11.37 C ATOM 290 CD1 ILE A 29 -30.777 32.171 -1.917 1.00 19.36 C ATOM 291 H ILE A 29 -28.292 28.923 -2.589 1.00 0.00 H ATOM 292 N GLY A 30 -27.366 27.595 0.622 1.00 9.56 N ATOM 293 CA GLY A 30 -27.368 26.331 1.328 1.00 9.94 C ATOM 294 C GLY A 30 -27.785 25.133 0.497 1.00 11.00 C ATOM 295 O GLY A 30 -28.364 24.190 1.029 1.00 12.10 O ATOM 296 H GLY A 30 -26.463 28.083 0.456 1.00 0.00 H ATOM 297 N HIS A 31 -27.494 25.149 -0.802 1.00 9.31 N ATOM 298 CA HIS A 31 -27.789 23.986 -1.626 1.00 9.13 C ATOM 299 C HIS A 31 -26.674 22.945 -1.539 1.00 9.81 C ATOM 300 O HIS A 31 -25.599 23.124 -2.123 1.00 9.53 O ATOM 301 CB HIS A 31 -28.001 24.365 -3.089 1.00 10.06 C ATOM 302 CG HIS A 31 -28.291 23.183 -3.955 1.00 10.24 C ATOM 303 ND1 HIS A 31 -29.542 22.612 -4.033 1.00 15.89 N ATOM 304 CD2 HIS A 31 -27.479 22.420 -4.723 1.00 12.88 C ATOM 305 CE1 HIS A 31 -29.496 21.565 -4.837 1.00 16.25 C ATOM 306 NE2 HIS A 31 -28.257 21.428 -5.272 1.00 12.70 N ATOM 307 H HIS A 31 -27.057 25.991 -1.227 1.00 0.00 H ATOM 308 N LEU A 32 -26.929 21.858 -0.814 1.00 8.56 N ATOM 309 CA LEU A 32 -25.936 20.792 -0.673 1.00 8.54 C ATOM 310 C LEU A 32 -25.689 20.120 -2.012 1.00 9.01 C ATOM 311 O LEU A 32 -26.629 19.704 -2.693 1.00 11.16 O ATOM 312 CB LEU A 32 -26.412 19.749 0.342 1.00 11.15 C ATOM 313 CG LEU A 32 -25.574 18.474 0.480 1.00 14.33 C ATOM 314 CD1 LEU A 32 -24.200 18.812 1.037 1.00 13.07 C ATOM 315 CD2 LEU A 32 -26.284 17.467 1.382 1.00 16.60 C ATOM 316 H LEU A 32 -27.850 21.765 -0.340 1.00 0.00 H ATOM 317 N LEU A 33 -24.423 20.020 -2.401 1.00 9.32 N ATOM 318 CA LEU A 33 -24.090 19.379 -3.669 1.00 10.02 C ATOM 319 C LEU A 33 -23.777 17.901 -3.484 1.00 12.19 C ATOM 320 O LEU A 33 -24.244 17.061 -4.255 1.00 16.11 O ATOM 321 CB LEU A 33 -22.918 20.095 -4.339 1.00 9.13 C ATOM 322 CG LEU A 33 -23.285 21.463 -4.907 1.00 10.68 C ATOM 323 CD1 LEU A 33 -22.020 22.247 -5.264 1.00 12.01 C ATOM 324 CD2 LEU A 33 -24.197 21.315 -6.126 1.00 9.97 C ATOM 325 H LEU A 33 -23.665 20.400 -1.799 1.00 0.00 H ATOM 326 N THR A 34 -22.985 17.589 -2.464 1.00 12.24 N ATOM 327 CA THR A 34 -22.586 16.210 -2.198 1.00 14.69 C ATOM 328 C THR A 34 -21.921 16.109 -0.842 1.00 12.26 C ATOM 329 O THR A 34 -21.372 17.086 -0.332 1.00 14.75 O ATOM 330 CB THR A 34 -21.603 15.666 -3.275 1.00 19.49 C ATOM 331 OG1 THR A 34 -21.284 14.297 -2.991 1.00 22.96 O ATOM 332 CG2 THR A 34 -20.312 16.481 -3.307 1.00 15.99 C ATOM 333 HG1 THR A 34 -22.114 13.757 -3.001 1.00 0.00 H ATOM 334 H THR A 34 -22.641 18.346 -1.839 1.00 0.00 H ATOM 335 N LYS A 35 -21.971 14.923 -0.250 1.00 14.62 N ATOM 336 CA LYS A 35 -21.238 14.687 0.984 1.00 16.55 C ATOM 337 C LYS A 35 -19.876 14.066 0.688 1.00 16.84 C ATOM 338 O LYS A 35 -19.081 13.827 1.598 1.00 22.75 O ATOM 339 CB LYS A 35 -22.052 13.821 1.949 1.00 18.76 C ATOM 340 CG LYS A 35 -23.304 14.518 2.457 1.00 19.43 C ATOM 341 CD LYS A 35 -24.031 13.699 3.515 1.00 26.16 C ATOM 342 CE LYS A 35 -25.309 14.405 3.949 1.00 30.65 C ATOM 343 NZ LYS A 35 -26.047 13.655 5.005 1.00 32.48 N ATOM 344 HZ1 LYS A 35 -26.307 12.715 4.643 1.00 0.00 H ATOM 345 HZ2 LYS A 35 -25.439 13.549 5.842 1.00 0.00 H ATOM 346 HZ3 LYS A 35 -26.907 14.179 5.263 1.00 0.00 H ATOM 347 H LYS A 35 -22.537 14.158 -0.670 1.00 0.00 H ATOM 348 N SER A 36 -19.609 13.823 -0.591 1.00 18.55 N ATOM 349 CA SER A 36 -18.310 13.307 -1.018 1.00 21.37 C ATOM 350 C SER A 36 -17.196 14.332 -0.828 1.00 21.68 C ATOM 351 O SER A 36 -17.387 15.522 -1.081 1.00 18.86 O ATOM 352 CB SER A 36 -18.363 12.878 -2.483 1.00 23.14 C ATOM 353 OG SER A 36 -17.056 12.688 -2.990 1.00 24.79 O ATOM 354 HG SER A 36 -17.108 12.411 -3.939 1.00 0.00 H ATOM 355 H SER A 36 -20.342 14.004 -1.306 1.00 0.00 H ATOM 356 N PRO A 37 -16.016 13.871 -0.387 1.00 20.95 N ATOM 357 CA PRO A 37 -14.873 14.774 -0.210 1.00 21.70 C ATOM 358 C PRO A 37 -14.280 15.262 -1.532 1.00 22.15 C ATOM 359 O PRO A 37 -13.373 16.095 -1.528 1.00 23.14 O ATOM 360 CB PRO A 37 -13.858 13.907 0.541 1.00 29.51 C ATOM 361 CG PRO A 37 -14.213 12.510 0.170 1.00 27.26 C ATOM 362 CD PRO A 37 -15.707 12.491 0.027 1.00 21.54 C ATOM 363 N SER A 38 -14.801 14.766 -2.649 1.00 20.18 N ATOM 364 CA SER A 38 -14.253 15.103 -3.962 1.00 20.40 C ATOM 365 C SER A 38 -14.866 16.367 -4.558 1.00 18.51 C ATOM 366 O SER A 38 -16.063 16.407 -4.844 1.00 17.07 O ATOM 367 CB SER A 38 -14.460 13.935 -4.930 1.00 23.12 C ATOM 368 OG SER A 38 -14.237 14.348 -6.268 1.00 25.46 O ATOM 369 HG SER A 38 -13.309 14.680 -6.359 1.00 0.00 H ATOM 370 H SER A 38 -15.617 14.124 -2.588 1.00 0.00 H ATOM 371 N LEU A 39 -14.046 17.394 -4.763 1.00 17.41 N ATOM 372 CA LEU A 39 -14.526 18.620 -5.392 1.00 17.32 C ATOM 373 C LEU A 39 -15.027 18.327 -6.803 1.00 17.24 C ATOM 374 O LEU A 39 -15.984 18.945 -7.282 1.00 15.14 O ATOM 375 CB LEU A 39 -13.426 19.683 -5.433 1.00 18.74 C ATOM 376 CG LEU A 39 -13.761 20.972 -6.189 1.00 20.05 C ATOM 377 CD1 LEU A 39 -14.925 21.718 -5.546 1.00 16.37 C ATOM 378 CD2 LEU A 39 -12.538 21.876 -6.292 1.00 30.74 C ATOM 379 H LEU A 39 -13.050 17.322 -4.471 1.00 0.00 H ATOM 380 N ASN A 40 -14.379 17.384 -7.478 1.00 17.25 N ATOM 381 CA ASN A 40 -14.822 17.020 -8.818 1.00 14.48 C ATOM 382 C ASN A 40 -16.233 16.441 -8.810 1.00 14.46 C ATOM 383 O ASN A 40 -17.026 16.731 -9.702 1.00 16.10 O ATOM 384 CB ASN A 40 -13.844 16.053 -9.485 1.00 26.01 C ATOM 385 CG ASN A 40 -12.631 16.758 -10.045 1.00 30.49 C ATOM 386 OD1 ASN A 40 -12.643 17.973 -10.239 1.00 32.23 O ATOM 387 ND2 ASN A 40 -11.576 15.999 -10.317 1.00 37.04 N ATOM 388 HD22 ASN A 40 -11.611 14.975 -10.136 1.00 0.00 H ATOM 389 HD21 ASN A 40 -10.714 16.428 -10.711 1.00 0.00 H ATOM 390 H ASN A 40 -13.559 16.907 -7.052 1.00 0.00 H ATOM 391 N ALA A 41 -16.540 15.630 -7.802 1.00 17.05 N ATOM 392 CA ALA A 41 -17.883 15.082 -7.650 1.00 16.32 C ATOM 393 C ALA A 41 -18.884 16.211 -7.438 1.00 16.89 C ATOM 394 O ALA A 41 -19.975 16.200 -8.005 1.00 13.24 O ATOM 395 CB ALA A 41 -17.936 14.103 -6.493 1.00 16.80 C ATOM 396 H ALA A 41 -15.807 15.381 -7.107 1.00 0.00 H ATOM 397 N ALA A 42 -18.507 17.187 -6.621 1.00 11.35 N ATOM 398 CA ALA A 42 -19.367 18.349 -6.379 1.00 12.39 C ATOM 399 C ALA A 42 -19.606 19.162 -7.645 1.00 13.62 C ATOM 400 O ALA A 42 -20.720 19.628 -7.895 1.00 11.72 O ATOM 401 CB ALA A 42 -18.776 19.232 -5.291 1.00 12.93 C ATOM 402 H ALA A 42 -17.585 17.126 -6.144 1.00 0.00 H ATOM 403 N LYS A 43 -18.553 19.352 -8.436 1.00 12.59 N ATOM 404 CA LYS A 43 -18.676 20.106 -9.678 1.00 11.38 C ATOM 405 C LYS A 43 -19.611 19.400 -10.657 1.00 11.59 C ATOM 406 O LYS A 43 -20.400 20.051 -11.343 1.00 11.84 O ATOM 407 CB LYS A 43 -17.307 20.353 -10.304 1.00 13.72 C ATOM 408 CG LYS A 43 -16.517 21.414 -9.569 1.00 17.74 C ATOM 409 CD LYS A 43 -15.122 21.560 -10.132 1.00 19.34 C ATOM 410 CE LYS A 43 -14.408 22.735 -9.495 1.00 23.66 C ATOM 411 NZ LYS A 43 -13.056 22.956 -10.083 1.00 30.78 N ATOM 412 HZ1 LYS A 43 -12.474 22.106 -9.940 1.00 0.00 H ATOM 413 HZ2 LYS A 43 -13.149 23.146 -11.101 1.00 0.00 H ATOM 414 HZ3 LYS A 43 -12.605 23.769 -9.617 1.00 0.00 H ATOM 415 H LYS A 43 -17.630 18.957 -8.165 1.00 0.00 H ATOM 416 N SER A 44 -19.542 18.073 -10.695 1.00 11.13 N ATOM 417 CA SER A 44 -20.445 17.293 -11.535 1.00 14.98 C ATOM 418 C SER A 44 -21.884 17.495 -11.080 1.00 11.86 C ATOM 419 O SER A 44 -22.774 17.748 -11.895 1.00 12.21 O ATOM 420 CB SER A 44 -20.084 15.806 -11.498 1.00 18.33 C ATOM 421 OG SER A 44 -18.875 15.563 -12.197 1.00 17.33 O ATOM 422 HG SER A 44 -18.143 16.080 -11.777 1.00 0.00 H ATOM 423 H SER A 44 -18.832 17.582 -10.116 1.00 0.00 H ATOM 424 N GLU A 45 -22.107 17.390 -9.775 1.00 12.80 N ATOM 425 CA GLU A 45 -23.449 17.574 -9.230 1.00 12.01 C ATOM 426 C GLU A 45 -23.974 18.968 -9.534 1.00 10.64 C ATOM 427 O GLU A 45 -25.157 19.147 -9.839 1.00 10.40 O ATOM 428 CB GLU A 45 -23.477 17.301 -7.721 1.00 11.43 C ATOM 429 CG GLU A 45 -23.286 15.830 -7.366 1.00 13.01 C ATOM 430 CD GLU A 45 -24.392 14.939 -7.918 1.00 20.17 C ATOM 431 OE1 GLU A 45 -25.582 15.246 -7.692 1.00 19.15 O ATOM 432 OE2 GLU A 45 -24.071 13.931 -8.586 1.00 22.78 O ATOM 433 H GLU A 45 -21.317 17.174 -9.134 1.00 0.00 H ATOM 434 N LEU A 46 -23.098 19.963 -9.454 1.00 9.63 N ATOM 435 CA LEU A 46 -23.503 21.323 -9.767 1.00 9.84 C ATOM 436 C LEU A 46 -23.918 21.456 -11.230 1.00 12.38 C ATOM 437 O LEU A 46 -24.943 22.047 -11.536 1.00 10.67 O ATOM 438 CB LEU A 46 -22.379 22.310 -9.462 1.00 8.85 C ATOM 439 CG LEU A 46 -22.701 23.754 -9.831 1.00 8.42 C ATOM 440 CD1 LEU A 46 -23.912 24.246 -9.027 1.00 10.76 C ATOM 441 CD2 LEU A 46 -21.494 24.652 -9.575 1.00 10.13 C ATOM 442 H LEU A 46 -22.118 19.768 -9.166 1.00 0.00 H ATOM 443 N ASP A 47 -23.118 20.911 -12.139 1.00 9.75 N ATOM 444 CA ASP A 47 -23.446 21.015 -13.553 1.00 10.52 C ATOM 445 C ASP A 47 -24.782 20.328 -13.853 1.00 10.80 C ATOM 446 O ASP A 47 -25.572 20.816 -14.670 1.00 13.18 O ATOM 447 CB ASP A 47 -22.320 20.431 -14.411 1.00 13.51 C ATOM 448 CG ASP A 47 -21.043 21.269 -14.355 1.00 11.42 C ATOM 449 OD1 ASP A 47 -21.070 22.384 -13.796 1.00 9.44 O ATOM 450 OD2 ASP A 47 -20.007 20.815 -14.884 1.00 12.29 O ATOM 451 H ASP A 47 -22.257 20.410 -11.840 1.00 0.00 H ATOM 452 N LYS A 48 -25.026 19.209 -13.179 1.00 10.35 N ATOM 453 CA LYS A 48 -26.276 18.461 -13.330 1.00 10.18 C ATOM 454 C LYS A 48 -27.461 19.276 -12.804 1.00 10.78 C ATOM 455 O LYS A 48 -28.527 19.317 -13.421 1.00 9.29 O ATOM 456 CB LYS A 48 -26.163 17.127 -12.580 1.00 13.55 C ATOM 457 CG LYS A 48 -27.430 16.308 -12.528 1.00 15.66 C ATOM 458 CD LYS A 48 -27.134 14.841 -12.212 1.00 13.97 C ATOM 459 CE LYS A 48 -26.432 14.657 -10.879 1.00 20.06 C ATOM 460 NZ LYS A 48 -27.383 14.732 -9.741 1.00 18.72 N ATOM 461 HZ1 LYS A 48 -27.848 15.662 -9.740 1.00 0.00 H ATOM 462 HZ2 LYS A 48 -28.099 13.985 -9.840 1.00 0.00 H ATOM 463 HZ3 LYS A 48 -26.865 14.602 -8.849 1.00 0.00 H ATOM 464 H LYS A 48 -24.304 18.852 -12.521 1.00 0.00 H ATOM 465 N ALA A 49 -27.265 19.939 -11.668 1.00 10.19 N ATOM 466 CA ALA A 49 -28.342 20.718 -11.047 1.00 9.86 C ATOM 467 C ALA A 49 -28.720 21.964 -11.844 1.00 11.03 C ATOM 468 O ALA A 49 -29.891 22.351 -11.898 1.00 11.89 O ATOM 469 CB ALA A 49 -27.968 21.104 -9.613 1.00 9.78 C ATOM 470 H ALA A 49 -26.331 19.905 -11.211 1.00 0.00 H ATOM 471 N ILE A 50 -27.724 22.587 -12.457 1.00 9.87 N ATOM 472 CA ILE A 50 -27.925 23.835 -13.180 1.00 10.81 C ATOM 473 C ILE A 50 -28.206 23.607 -14.661 1.00 10.96 C ATOM 474 O ILE A 50 -28.884 24.406 -15.298 1.00 14.27 O ATOM 475 CB ILE A 50 -26.689 24.746 -13.037 1.00 11.42 C ATOM 476 CG1 ILE A 50 -26.407 25.005 -11.557 1.00 14.79 C ATOM 477 CG2 ILE A 50 -26.886 26.040 -13.789 1.00 12.07 C ATOM 478 CD1 ILE A 50 -27.508 25.765 -10.857 1.00 15.95 C ATOM 479 H ILE A 50 -26.771 22.173 -12.421 1.00 0.00 H ATOM 480 N GLY A 51 -27.681 22.514 -15.204 1.00 11.13 N ATOM 481 CA GLY A 51 -27.918 22.173 -16.597 1.00 14.13 C ATOM 482 C GLY A 51 -26.945 22.812 -17.571 1.00 18.88 C ATOM 483 O GLY A 51 -27.246 22.947 -18.753 1.00 20.64 O ATOM 484 H GLY A 51 -27.088 21.890 -14.620 1.00 0.00 H ATOM 485 N ARG A 52 -25.778 23.209 -17.076 1.00 13.83 N ATOM 486 CA ARG A 52 -24.713 23.731 -17.931 1.00 18.17 C ATOM 487 C ARG A 52 -23.379 23.497 -17.239 1.00 16.91 C ATOM 488 O ARG A 52 -23.346 23.152 -16.054 1.00 14.78 O ATOM 489 CB ARG A 52 -24.905 25.224 -18.204 1.00 19.38 C ATOM 490 CG ARG A 52 -24.768 26.098 -16.967 1.00 15.79 C ATOM 491 CD ARG A 52 -24.917 27.582 -17.284 1.00 15.98 C ATOM 492 NE ARG A 52 -24.791 28.384 -16.069 1.00 17.39 N ATOM 493 CZ ARG A 52 -23.635 28.817 -15.585 1.00 20.66 C ATOM 494 NH1 ARG A 52 -22.504 28.535 -16.224 1.00 19.12 N ATOM 495 NH2 ARG A 52 -23.607 29.534 -14.468 1.00 19.05 N ATOM 496 HE ARG A 52 -25.660 28.630 -15.553 1.00 0.00 H ATOM 497 HH12 ARG A 52 -21.596 28.873 -15.847 1.00 0.00 H ATOM 498 HH11 ARG A 52 -22.528 27.976 -17.101 1.00 0.00 H ATOM 499 HH22 ARG A 52 -22.699 29.873 -14.090 1.00 0.00 H ATOM 500 HH21 ARG A 52 -24.493 29.757 -13.971 1.00 0.00 H ATOM 501 H ARG A 52 -25.617 23.147 -16.050 1.00 0.00 H ATOM 502 N ASN A 53 -22.267 23.656 -17.975 1.00 15.07 N ATOM 503 CA ASN A 53 -20.938 23.528 -17.385 1.00 17.35 C ATOM 504 C ASN A 53 -20.579 24.788 -16.597 1.00 14.26 C ATOM 505 O ASN A 53 -20.244 25.828 -17.174 1.00 17.88 O ATOM 506 CB ASN A 53 -19.890 23.251 -18.468 1.00 25.75 C ATOM 507 CG ASN A 53 -18.606 22.669 -17.903 1.00 31.40 C ATOM 508 H ASN A 53 -22.355 23.875 -18.988 1.00 0.00 H ATOM 509 N CYS A 54 -20.672 24.701 -15.272 1.00 14.27 N ATOM 510 CA CYS A 54 -20.573 25.881 -14.414 1.00 14.93 C ATOM 511 C CYS A 54 -19.159 26.187 -13.954 1.00 12.21 C ATOM 512 O CYS A 54 -18.862 27.322 -13.576 1.00 14.77 O ATOM 513 CB CYS A 54 -21.451 25.712 -13.172 1.00 13.34 C ATOM 514 SG CYS A 54 -23.196 25.611 -13.539 1.00 18.04 S ATOM 515 H CYS A 54 -20.819 23.769 -14.835 1.00 0.00 H ATOM 516 N ASN A 55 -18.307 25.169 -13.968 1.00 15.89 N ATOM 517 CA ASN A 55 -16.969 25.274 -13.400 1.00 22.20 C ATOM 518 C ASN A 55 -16.993 25.866 -11.991 1.00 16.60 C ATOM 519 O ASN A 55 -16.173 26.720 -11.648 1.00 18.81 O ATOM 520 CB ASN A 55 -16.044 26.090 -14.305 1.00 22.01 C ATOM 521 CG ASN A 55 -14.580 25.924 -13.937 1.00 24.35 C ATOM 522 OD1 ASN A 55 -14.174 24.886 -13.403 1.00 30.85 O ATOM 523 ND2 ASN A 55 -13.783 26.949 -14.210 1.00 26.89 N ATOM 524 HD22 ASN A 55 -14.170 27.803 -14.660 1.00 0.00 H ATOM 525 HD21 ASN A 55 -12.771 26.899 -13.974 1.00 0.00 H ATOM 526 H ASN A 55 -18.603 24.269 -14.397 1.00 0.00 H ATOM 527 N GLY A 56 -17.955 25.422 -11.189 1.00 14.16 N ATOM 528 CA GLY A 56 -17.992 25.765 -9.777 1.00 13.48 C ATOM 529 C GLY A 56 -18.548 27.126 -9.406 1.00 16.11 C ATOM 530 O GLY A 56 -18.472 27.517 -8.239 1.00 13.69 O ATOM 531 H GLY A 56 -18.701 24.813 -11.582 1.00 0.00 H ATOM 532 N VAL A 57 -19.106 27.843 -10.379 1.00 11.92 N ATOM 533 CA VAL A 57 -19.675 29.166 -10.128 1.00 12.21 C ATOM 534 C VAL A 57 -21.053 29.320 -10.767 1.00 13.98 C ATOM 535 O VAL A 57 -21.269 28.884 -11.897 1.00 15.86 O ATOM 536 CB VAL A 57 -18.755 30.277 -10.675 1.00 19.02 C ATOM 537 CG1 VAL A 57 -19.354 31.648 -10.392 1.00 20.34 C ATOM 538 CG2 VAL A 57 -17.370 30.157 -10.069 1.00 25.24 C ATOM 539 H VAL A 57 -19.138 27.452 -11.342 1.00 0.00 H ATOM 540 N ILE A 58 -21.983 29.939 -10.043 1.00 12.76 N ATOM 541 CA ILE A 58 -23.318 30.192 -10.579 1.00 10.20 C ATOM 542 C ILE A 58 -23.700 31.658 -10.432 1.00 11.62 C ATOM 543 O ILE A 58 -23.006 32.429 -9.764 1.00 14.46 O ATOM 544 CB ILE A 58 -24.395 29.313 -9.907 1.00 8.95 C ATOM 545 CG1 ILE A 58 -24.450 29.592 -8.398 1.00 9.07 C ATOM 546 CG2 ILE A 58 -24.143 27.826 -10.201 1.00 10.62 C ATOM 547 CD1 ILE A 58 -25.588 28.857 -7.682 1.00 11.87 C ATOM 548 H ILE A 58 -21.755 30.249 -9.077 1.00 0.00 H ATOM 549 N THR A 59 -24.799 32.042 -11.075 1.00 12.88 N ATOM 550 CA THR A 59 -25.327 33.393 -10.960 1.00 13.87 C ATOM 551 C THR A 59 -26.301 33.477 -9.798 1.00 15.39 C ATOM 552 O THR A 59 -26.768 32.454 -9.292 1.00 13.24 O ATOM 553 CB THR A 59 -26.090 33.801 -12.229 1.00 17.69 C ATOM 554 OG1 THR A 59 -27.262 32.986 -12.358 1.00 15.66 O ATOM 555 CG2 THR A 59 -25.213 33.621 -13.456 1.00 17.35 C ATOM 556 HG1 THR A 59 -27.756 33.247 -13.175 1.00 0.00 H ATOM 557 H THR A 59 -25.296 31.356 -11.678 1.00 0.00 H ATOM 558 N LYS A 60 -26.618 34.699 -9.383 1.00 13.45 N ATOM 559 CA LYS A 60 -27.592 34.896 -8.320 1.00 14.38 C ATOM 560 C LYS A 60 -28.948 34.310 -8.708 1.00 11.15 C ATOM 561 O LYS A 60 -29.612 33.678 -7.886 1.00 12.44 O ATOM 562 CB LYS A 60 -27.725 36.380 -7.970 1.00 16.14 C ATOM 563 CG LYS A 60 -28.670 36.652 -6.815 1.00 17.09 C ATOM 564 CD LYS A 60 -28.619 38.113 -6.395 1.00 26.92 C ATOM 565 CE LYS A 60 -29.592 38.398 -5.260 1.00 17.67 C ATOM 566 H LYS A 60 -26.164 35.525 -9.823 1.00 0.00 H ATOM 567 N ASP A 61 -29.354 34.394 -9.952 1.00 14.64 N ATOM 568 CA ASP A 61 -30.627 33.862 -10.363 1.00 15.45 C ATOM 569 C ASP A 61 -30.680 32.370 -10.286 1.00 13.55 C ATOM 570 O ASP A 61 -31.672 31.837 -9.975 1.00 13.44 O ATOM 571 CB ASP A 61 -30.950 34.318 -11.787 1.00 16.98 C ATOM 572 CG ASP A 61 -31.283 35.795 -11.865 1.00 27.22 C ATOM 573 OD1 ASP A 61 -31.543 36.403 -10.806 1.00 29.83 O ATOM 574 OD2 ASP A 61 -31.310 36.430 -12.940 1.00 29.67 O ATOM 575 H ASP A 61 -28.743 34.855 -10.657 1.00 0.00 H ATOM 576 N GLU A 62 -29.536 31.799 -10.688 1.00 14.79 N ATOM 577 CA GLU A 62 -29.425 30.349 -10.568 1.00 9.66 C ATOM 578 C GLU A 62 -29.488 29.894 -9.112 1.00 11.23 C ATOM 579 O GLU A 62 -30.142 28.900 -8.794 1.00 9.47 O ATOM 580 CB GLU A 62 -28.145 29.854 -11.245 1.00 10.60 C ATOM 581 CG GLU A 62 -28.249 29.918 -12.766 1.00 14.96 C ATOM 582 CD GLU A 62 -26.926 29.729 -13.484 1.00 20.74 C ATOM 583 OE1 GLU A 62 -25.862 29.903 -12.854 1.00 14.96 O ATOM 584 OE2 GLU A 62 -26.955 29.415 -14.697 1.00 18.25 O ATOM 585 H GLU A 62 -28.755 32.369 -11.072 1.00 0.00 H ATOM 586 N ALA A 63 -28.814 30.623 -8.233 1.00 10.78 N ATOM 587 CA ALA A 63 -28.883 30.316 -6.804 1.00 10.22 C ATOM 588 C ALA A 63 -30.324 30.413 -6.301 1.00 10.29 C ATOM 589 O ALA A 63 -30.790 29.564 -5.541 1.00 9.37 O ATOM 590 CB ALA A 63 -27.980 31.248 -6.023 1.00 11.22 C ATOM 591 H ALA A 63 -28.232 31.419 -8.562 1.00 0.00 H ATOM 592 N GLU A 64 -31.042 31.446 -6.729 1.00 8.72 N ATOM 593 CA GLU A 64 -32.410 31.617 -6.253 1.00 9.98 C ATOM 594 C GLU A 64 -33.341 30.527 -6.796 1.00 10.25 C ATOM 595 O GLU A 64 -34.283 30.117 -6.122 1.00 9.70 O ATOM 596 CB GLU A 64 -32.920 33.028 -6.570 1.00 13.56 C ATOM 597 CG GLU A 64 -32.226 34.099 -5.730 1.00 12.91 C ATOM 598 CD GLU A 64 -32.510 35.511 -6.206 1.00 20.59 C ATOM 599 OE1 GLU A 64 -32.966 35.676 -7.360 1.00 21.13 O ATOM 600 OE2 GLU A 64 -32.272 36.457 -5.424 1.00 19.88 O ATOM 601 H GLU A 64 -30.631 32.128 -7.399 1.00 0.00 H ATOM 602 N LYS A 65 -33.070 30.045 -8.008 1.00 9.33 N ATOM 603 CA LYS A 65 -33.853 28.944 -8.558 1.00 9.84 C ATOM 604 C LYS A 65 -33.659 27.651 -7.762 1.00 7.67 C ATOM 605 O LYS A 65 -34.633 26.961 -7.443 1.00 9.71 O ATOM 606 CB LYS A 65 -33.509 28.708 -10.031 1.00 9.32 C ATOM 607 CG LYS A 65 -34.427 27.693 -10.685 1.00 14.32 C ATOM 608 CD LYS A 65 -34.277 27.711 -12.196 1.00 16.41 C ATOM 609 CE LYS A 65 -35.319 26.815 -12.844 1.00 20.59 C ATOM 610 NZ LYS A 65 -35.284 26.937 -14.329 1.00 20.39 N ATOM 611 HZ1 LYS A 65 -35.478 27.922 -14.599 1.00 0.00 H ATOM 612 HZ2 LYS A 65 -34.344 26.659 -14.676 1.00 0.00 H ATOM 613 HZ3 LYS A 65 -36.006 26.314 -14.744 1.00 0.00 H ATOM 614 H LYS A 65 -32.295 30.457 -8.566 1.00 0.00 H ATOM 615 N LEU A 66 -32.407 27.318 -7.442 1.00 8.53 N ATOM 616 CA LEU A 66 -32.142 26.153 -6.601 1.00 10.18 C ATOM 617 C LEU A 66 -32.834 26.319 -5.259 1.00 7.59 C ATOM 618 O LEU A 66 -33.370 25.360 -4.711 1.00 8.51 O ATOM 619 CB LEU A 66 -30.643 25.953 -6.364 1.00 8.33 C ATOM 620 CG LEU A 66 -29.798 25.612 -7.593 1.00 9.55 C ATOM 621 CD1 LEU A 66 -28.330 25.420 -7.205 1.00 14.65 C ATOM 622 CD2 LEU A 66 -30.341 24.372 -8.317 1.00 13.06 C ATOM 623 H LEU A 66 -31.614 27.892 -7.794 1.00 0.00 H ATOM 624 N PHE A 67 -32.805 27.538 -4.728 1.00 7.58 N ATOM 625 CA PHE A 67 -33.409 27.823 -3.425 1.00 7.25 C ATOM 626 C PHE A 67 -34.921 27.561 -3.471 1.00 8.69 C ATOM 627 O PHE A 67 -35.475 26.922 -2.574 1.00 10.50 O ATOM 628 CB PHE A 67 -33.078 29.271 -3.049 1.00 8.82 C ATOM 629 CG PHE A 67 -33.479 29.672 -1.656 1.00 9.09 C ATOM 630 CD1 PHE A 67 -33.365 28.792 -0.594 1.00 7.39 C ATOM 631 CD2 PHE A 67 -33.913 30.968 -1.413 1.00 10.61 C ATOM 632 CE1 PHE A 67 -33.720 29.188 0.691 1.00 9.46 C ATOM 633 CE2 PHE A 67 -34.265 31.377 -0.128 1.00 12.00 C ATOM 634 CZ PHE A 67 -34.164 30.481 0.925 1.00 11.16 C ATOM 635 H PHE A 67 -32.342 28.308 -5.251 1.00 0.00 H ATOM 636 N ASN A 68 -35.588 28.033 -4.519 1.00 8.83 N ATOM 637 CA ASN A 68 -37.022 27.791 -4.677 1.00 10.57 C ATOM 638 C ASN A 68 -37.309 26.294 -4.718 1.00 10.95 C ATOM 639 O ASN A 68 -38.224 25.796 -4.057 1.00 10.09 O ATOM 640 CB ASN A 68 -37.546 28.454 -5.953 1.00 12.68 C ATOM 641 CG ASN A 68 -37.695 29.953 -5.814 1.00 13.40 C ATOM 642 OD1 ASN A 68 -38.126 30.450 -4.777 1.00 19.31 O ATOM 643 ND2 ASN A 68 -37.349 30.682 -6.868 1.00 19.47 N ATOM 644 HD22 ASN A 68 -36.988 30.218 -7.726 1.00 0.00 H ATOM 645 HD21 ASN A 68 -37.438 31.718 -6.836 1.00 0.00 H ATOM 646 H ASN A 68 -35.081 28.585 -5.240 1.00 0.00 H ATOM 647 N GLN A 69 -36.518 25.573 -5.503 1.00 7.58 N ATOM 648 CA GLN A 69 -36.659 24.126 -5.578 1.00 9.06 C ATOM 649 C GLN A 69 -36.462 23.440 -4.229 1.00 8.21 C ATOM 650 O GLN A 69 -37.192 22.504 -3.888 1.00 9.95 O ATOM 651 CB GLN A 69 -35.673 23.554 -6.591 1.00 9.10 C ATOM 652 CG GLN A 69 -35.970 23.998 -7.998 1.00 9.33 C ATOM 653 CD GLN A 69 -34.950 23.509 -8.997 1.00 11.18 C ATOM 654 OE1 GLN A 69 -33.895 22.977 -8.627 1.00 15.81 O ATOM 655 NE2 GLN A 69 -35.258 23.679 -10.273 1.00 9.59 N ATOM 656 HE22 GLN A 69 -36.157 24.132 -10.535 1.00 0.00 H ATOM 657 HE21 GLN A 69 -34.601 23.360 -11.013 1.00 0.00 H ATOM 658 H GLN A 69 -35.788 26.048 -6.072 1.00 0.00 H ATOM 659 N ASP A 70 -35.464 23.892 -3.475 1.00 9.76 N ATOM 660 CA ASP A 70 -35.128 23.279 -2.197 1.00 8.93 C ATOM 661 C ASP A 70 -36.182 23.545 -1.130 1.00 8.33 C ATOM 662 O ASP A 70 -36.515 22.656 -0.343 1.00 10.21 O ATOM 663 CB ASP A 70 -33.756 23.763 -1.713 1.00 8.17 C ATOM 664 CG ASP A 70 -32.622 23.264 -2.587 1.00 15.36 C ATOM 665 OD1 ASP A 70 -32.837 22.281 -3.327 1.00 15.58 O ATOM 666 OD2 ASP A 70 -31.517 23.854 -2.533 1.00 14.82 O ATOM 667 H ASP A 70 -34.908 24.706 -3.807 1.00 0.00 H ATOM 668 N VAL A 71 -36.708 24.765 -1.106 1.00 7.95 N ATOM 669 CA VAL A 71 -37.782 25.094 -0.169 1.00 9.54 C ATOM 670 C VAL A 71 -39.021 24.266 -0.482 1.00 11.73 C ATOM 671 O VAL A 71 -39.633 23.684 0.415 1.00 9.80 O ATOM 672 CB VAL A 71 -38.128 26.589 -0.185 1.00 9.05 C ATOM 673 CG1 VAL A 71 -39.362 26.848 0.685 1.00 11.84 C ATOM 674 CG2 VAL A 71 -36.930 27.418 0.314 1.00 11.37 C ATOM 675 H VAL A 71 -36.353 25.492 -1.759 1.00 0.00 H ATOM 676 N ASP A 72 -39.375 24.206 -1.763 1.00 10.04 N ATOM 677 CA ASP A 72 -40.535 23.432 -2.177 1.00 14.02 C ATOM 678 C ASP A 72 -40.349 21.970 -1.785 1.00 12.37 C ATOM 679 O ASP A 72 -41.260 21.356 -1.226 1.00 14.40 O ATOM 680 CB ASP A 72 -40.795 23.575 -3.679 1.00 14.57 C ATOM 681 CG ASP A 72 -42.052 22.845 -4.123 1.00 25.60 C ATOM 682 OD1 ASP A 72 -43.144 23.454 -4.077 1.00 24.77 O ATOM 683 OD2 ASP A 72 -41.950 21.661 -4.512 1.00 24.40 O ATOM 684 H ASP A 72 -38.817 24.718 -2.476 1.00 0.00 H ATOM 685 N ALA A 73 -39.164 21.425 -2.033 1.00 12.26 N ATOM 686 CA ALA A 73 -38.865 20.042 -1.669 1.00 13.42 C ATOM 687 C ALA A 73 -38.971 19.803 -0.167 1.00 13.52 C ATOM 688 O ALA A 73 -39.440 18.750 0.274 1.00 15.04 O ATOM 689 CB ALA A 73 -37.486 19.649 -2.170 1.00 17.81 C ATOM 690 H ALA A 73 -38.430 21.997 -2.498 1.00 0.00 H ATOM 691 N ALA A 74 -38.517 20.771 0.618 1.00 10.45 N ATOM 692 CA ALA A 74 -38.583 20.656 2.066 1.00 12.00 C ATOM 693 C ALA A 74 -40.032 20.570 2.534 1.00 11.58 C ATOM 694 O ALA A 74 -40.373 19.730 3.367 1.00 12.55 O ATOM 695 CB ALA A 74 -37.878 21.828 2.726 1.00 12.77 C ATOM 696 H ALA A 74 -38.107 21.626 0.191 1.00 0.00 H ATOM 697 N VAL A 75 -40.875 21.446 1.998 1.00 9.48 N ATOM 698 CA VAL A 75 -42.280 21.492 2.403 1.00 12.98 C ATOM 699 C VAL A 75 -43.006 20.228 1.952 1.00 14.19 C ATOM 700 O VAL A 75 -43.743 19.615 2.724 1.00 12.86 O ATOM 701 CB VAL A 75 -43.003 22.727 1.823 1.00 14.62 C ATOM 702 CG1 VAL A 75 -44.474 22.717 2.241 1.00 22.99 C ATOM 703 CG2 VAL A 75 -42.329 23.994 2.290 1.00 15.65 C ATOM 704 H VAL A 75 -40.530 22.111 1.277 1.00 0.00 H ATOM 705 N ARG A 76 -42.803 19.838 0.698 1.00 14.55 N ATOM 706 CA ARG A 76 -43.453 18.639 0.186 1.00 18.74 C ATOM 707 C ARG A 76 -43.000 17.405 0.960 1.00 17.02 C ATOM 708 O ARG A 76 -43.791 16.481 1.179 1.00 19.48 O ATOM 709 CB ARG A 76 -43.203 18.476 -1.315 1.00 19.63 C ATOM 710 CG ARG A 76 -43.820 19.584 -2.158 1.00 24.55 C ATOM 711 CD ARG A 76 -45.347 19.591 -2.069 1.00 25.57 C ATOM 712 NE ARG A 76 -45.977 18.967 -3.232 1.00 31.05 N ATOM 713 CZ ARG A 76 -46.772 17.903 -3.178 1.00 23.72 C ATOM 714 NH1 ARG A 76 -47.047 17.335 -2.013 1.00 24.24 N ATOM 715 NH2 ARG A 76 -47.302 17.410 -4.292 1.00 19.99 N ATOM 716 HE ARG A 76 -45.790 19.385 -4.166 1.00 0.00 H ATOM 717 HH12 ARG A 76 -47.669 16.503 -1.974 1.00 0.00 H ATOM 718 HH11 ARG A 76 -46.640 17.721 -1.137 1.00 0.00 H ATOM 719 HH22 ARG A 76 -47.924 16.577 -4.248 1.00 0.00 H ATOM 720 HH21 ARG A 76 -47.095 17.857 -5.208 1.00 0.00 H ATOM 721 H ARG A 76 -42.177 20.392 0.079 1.00 0.00 H ATOM 722 N GLY A 77 -41.740 17.401 1.385 1.00 13.46 N ATOM 723 CA GLY A 77 -41.211 16.307 2.172 1.00 14.64 C ATOM 724 C GLY A 77 -41.959 16.185 3.485 1.00 17.95 C ATOM 725 O GLY A 77 -42.308 15.085 3.917 1.00 17.26 O ATOM 726 H GLY A 77 -41.121 18.202 1.147 1.00 0.00 H ATOM 727 N ILE A 78 -42.212 17.322 4.122 1.00 10.70 N ATOM 728 CA ILE A 78 -42.975 17.323 5.362 1.00 10.31 C ATOM 729 C ILE A 78 -44.376 16.756 5.134 1.00 11.58 C ATOM 730 O ILE A 78 -44.851 15.929 5.920 1.00 13.39 O ATOM 731 CB ILE A 78 -43.079 18.733 5.959 1.00 10.84 C ATOM 732 CG1 ILE A 78 -41.732 19.149 6.551 1.00 9.12 C ATOM 733 CG2 ILE A 78 -44.142 18.774 7.044 1.00 11.31 C ATOM 734 CD1 ILE A 78 -41.653 20.622 6.889 1.00 12.69 C ATOM 735 H ILE A 78 -41.862 18.220 3.732 1.00 0.00 H ATOM 736 N LEU A 79 -45.033 17.201 4.064 1.00 12.57 N ATOM 737 CA LEU A 79 -46.411 16.788 3.818 1.00 12.14 C ATOM 738 C LEU A 79 -46.505 15.301 3.485 1.00 19.78 C ATOM 739 O LEU A 79 -47.544 14.677 3.707 1.00 20.85 O ATOM 740 CB LEU A 79 -47.065 17.637 2.725 1.00 13.59 C ATOM 741 CG LEU A 79 -47.211 19.128 3.040 1.00 17.37 C ATOM 742 CD1 LEU A 79 -47.982 19.830 1.930 1.00 22.76 C ATOM 743 CD2 LEU A 79 -47.888 19.342 4.397 1.00 22.40 C ATOM 744 H LEU A 79 -44.561 17.847 3.400 1.00 0.00 H ATOM 745 N ARG A 80 -45.413 14.733 2.980 1.00 14.23 N ATOM 746 CA ARG A 80 -45.384 13.309 2.638 1.00 15.03 C ATOM 747 C ARG A 80 -44.950 12.422 3.800 1.00 21.57 C ATOM 748 O ARG A 80 -45.032 11.195 3.723 1.00 22.94 O ATOM 749 CB ARG A 80 -44.488 13.063 1.413 1.00 16.72 C ATOM 750 CG ARG A 80 -44.973 13.792 0.167 1.00 31.17 C ATOM 751 CD ARG A 80 -44.239 13.356 -1.094 1.00 31.13 C ATOM 752 NE ARG A 80 -44.633 14.183 -2.233 1.00 38.89 N ATOM 753 CZ ARG A 80 -44.229 13.987 -3.483 1.00 43.57 C ATOM 754 NH1 ARG A 80 -43.414 12.981 -3.772 1.00 51.05 N ATOM 755 NH2 ARG A 80 -44.647 14.797 -4.448 1.00 41.88 N ATOM 756 HE ARG A 80 -45.275 14.981 -2.052 1.00 0.00 H ATOM 757 HH12 ARG A 80 -43.100 12.831 -4.752 1.00 0.00 H ATOM 758 HH11 ARG A 80 -43.089 12.342 -3.018 1.00 0.00 H ATOM 759 HH22 ARG A 80 -44.332 14.645 -5.427 1.00 0.00 H ATOM 760 HH21 ARG A 80 -45.290 15.584 -4.225 1.00 0.00 H ATOM 761 H ARG A 80 -44.563 15.312 2.825 1.00 0.00 H ATOM 762 N ASN A 81 -44.494 13.042 4.882 1.00 16.39 N ATOM 763 CA ASN A 81 -44.010 12.300 6.034 1.00 15.05 C ATOM 764 C ASN A 81 -45.124 12.119 7.060 1.00 15.18 C ATOM 765 O ASN A 81 -45.648 13.096 7.597 1.00 17.61 O ATOM 766 CB ASN A 81 -42.825 13.033 6.665 1.00 17.62 C ATOM 767 CG ASN A 81 -42.102 12.195 7.692 1.00 19.45 C ATOM 768 OD1 ASN A 81 -42.666 11.826 8.722 1.00 22.19 O ATOM 769 ND2 ASN A 81 -40.834 11.898 7.423 1.00 23.14 N ATOM 770 HD22 ASN A 81 -40.398 12.231 6.540 1.00 0.00 H ATOM 771 HD21 ASN A 81 -40.278 11.332 8.096 1.00 0.00 H ATOM 772 H ASN A 81 -44.483 14.082 4.906 1.00 0.00 H ATOM 773 N ALA A 82 -45.487 10.871 7.336 1.00 16.58 N ATOM 774 CA ALA A 82 -46.620 10.598 8.222 1.00 20.32 C ATOM 775 C ALA A 82 -46.403 11.072 9.659 1.00 15.94 C ATOM 776 O ALA A 82 -47.367 11.315 10.389 1.00 20.04 O ATOM 777 CB ALA A 82 -46.978 9.113 8.195 1.00 22.45 C ATOM 778 H ALA A 82 -44.960 10.078 6.917 1.00 0.00 H ATOM 779 N LYS A 83 -45.146 11.188 10.074 1.00 16.18 N ATOM 780 CA LYS A 83 -44.839 11.701 11.404 1.00 18.84 C ATOM 781 C LYS A 83 -44.877 13.228 11.439 1.00 14.97 C ATOM 782 O LYS A 83 -45.330 13.827 12.418 1.00 19.27 O ATOM 783 CB LYS A 83 -43.472 11.199 11.878 1.00 19.33 C ATOM 784 CG LYS A 83 -43.420 9.699 12.137 1.00 27.49 C ATOM 785 H LYS A 83 -44.370 10.909 9.441 1.00 0.00 H ATOM 786 N LEU A 84 -44.413 13.857 10.365 1.00 11.22 N ATOM 787 CA LEU A 84 -44.275 15.309 10.352 1.00 9.37 C ATOM 788 C LEU A 84 -45.552 16.049 9.968 1.00 9.91 C ATOM 789 O LEU A 84 -45.850 17.107 10.528 1.00 11.58 O ATOM 790 CB LEU A 84 -43.139 15.734 9.415 1.00 9.92 C ATOM 791 CG LEU A 84 -41.758 15.188 9.778 1.00 10.07 C ATOM 792 CD1 LEU A 84 -40.728 15.730 8.791 1.00 11.82 C ATOM 793 CD2 LEU A 84 -41.390 15.572 11.202 1.00 13.62 C ATOM 794 H LEU A 84 -44.145 13.308 9.524 1.00 0.00 H ATOM 795 N LYS A 85 -46.294 15.509 9.006 1.00 9.61 N ATOM 796 CA LYS A 85 -47.468 16.203 8.486 1.00 10.41 C ATOM 797 C LYS A 85 -48.478 16.632 9.547 1.00 10.40 C ATOM 798 O LYS A 85 -48.921 17.776 9.542 1.00 11.74 O ATOM 799 CB LYS A 85 -48.169 15.386 7.399 1.00 10.98 C ATOM 800 CG LYS A 85 -49.322 16.152 6.753 1.00 13.91 C ATOM 801 CD LYS A 85 -50.029 15.311 5.710 1.00 20.06 C ATOM 802 CE LYS A 85 -50.966 16.155 4.860 1.00 28.92 C ATOM 803 NZ LYS A 85 -51.999 16.847 5.674 1.00 31.84 N ATOM 804 HZ1 LYS A 85 -52.571 16.141 6.179 1.00 0.00 H ATOM 805 HZ2 LYS A 85 -51.534 17.474 6.361 1.00 0.00 H ATOM 806 HZ3 LYS A 85 -52.612 17.409 5.049 1.00 0.00 H ATOM 807 H LYS A 85 -46.034 14.579 8.619 1.00 0.00 H ATOM 808 N PRO A 86 -48.867 15.718 10.449 1.00 11.08 N ATOM 809 CA PRO A 86 -49.868 16.145 11.437 1.00 13.79 C ATOM 810 C PRO A 86 -49.374 17.271 12.344 1.00 13.27 C ATOM 811 O PRO A 86 -50.158 18.155 12.698 1.00 12.14 O ATOM 812 CB PRO A 86 -50.145 14.871 12.249 1.00 15.81 C ATOM 813 CG PRO A 86 -49.007 13.952 11.944 1.00 21.05 C ATOM 814 CD PRO A 86 -48.553 14.286 10.559 1.00 14.19 C ATOM 815 N VAL A 87 -48.098 17.256 12.710 1.00 9.21 N ATOM 816 CA VAL A 87 -47.568 18.318 13.558 1.00 9.45 C ATOM 817 C VAL A 87 -47.546 19.632 12.767 1.00 8.73 C ATOM 818 O VAL A 87 -47.987 20.675 13.248 1.00 9.55 O ATOM 819 CB VAL A 87 -46.166 17.973 14.092 1.00 12.86 C ATOM 820 CG1 VAL A 87 -45.679 19.062 15.043 1.00 11.75 C ATOM 821 CG2 VAL A 87 -46.181 16.613 14.796 1.00 15.23 C ATOM 822 H VAL A 87 -47.475 16.486 12.392 1.00 0.00 H ATOM 823 N TYR A 88 -47.057 19.563 11.535 1.00 7.57 N ATOM 824 CA TYR A 88 -47.002 20.729 10.669 1.00 8.78 C ATOM 825 C TYR A 88 -48.387 21.344 10.490 1.00 10.08 C ATOM 826 O TYR A 88 -48.565 22.552 10.664 1.00 9.78 O ATOM 827 CB TYR A 88 -46.407 20.336 9.318 1.00 7.68 C ATOM 828 CG TYR A 88 -46.206 21.489 8.371 1.00 9.63 C ATOM 829 CD1 TYR A 88 -45.067 22.288 8.449 1.00 10.34 C ATOM 830 CD2 TYR A 88 -47.143 21.773 7.391 1.00 12.71 C ATOM 831 CE1 TYR A 88 -44.872 23.341 7.581 1.00 12.03 C ATOM 832 CE2 TYR A 88 -46.958 22.824 6.520 1.00 14.47 C ATOM 833 CZ TYR A 88 -45.818 23.606 6.620 1.00 16.68 C ATOM 834 OH TYR A 88 -45.632 24.655 5.747 1.00 17.63 O ATOM 835 HH TYR A 88 -44.776 25.107 5.953 1.00 0.00 H ATOM 836 H TYR A 88 -46.704 18.651 11.180 1.00 0.00 H ATOM 837 N ASP A 89 -49.373 20.509 10.179 1.00 8.92 N ATOM 838 CA ASP A 89 -50.739 21.010 9.998 1.00 10.41 C ATOM 839 C ASP A 89 -51.304 21.651 11.256 1.00 9.83 C ATOM 840 O ASP A 89 -52.151 22.537 11.177 1.00 12.94 O ATOM 841 CB ASP A 89 -51.669 19.904 9.515 1.00 12.48 C ATOM 842 CG ASP A 89 -51.466 19.583 8.048 1.00 23.25 C ATOM 843 OD1 ASP A 89 -50.810 20.391 7.354 1.00 21.12 O ATOM 844 OD2 ASP A 89 -51.963 18.534 7.593 1.00 24.11 O ATOM 845 H ASP A 89 -49.175 19.495 10.063 1.00 0.00 H ATOM 846 N SER A 90 -50.834 21.208 12.418 1.00 7.85 N ATOM 847 CA SER A 90 -51.310 21.759 13.677 1.00 7.53 C ATOM 848 C SER A 90 -50.745 23.144 13.990 1.00 10.35 C ATOM 849 O SER A 90 -51.282 23.856 14.832 1.00 10.13 O ATOM 850 CB SER A 90 -50.982 20.800 14.826 1.00 12.80 C ATOM 851 OG SER A 90 -49.629 20.943 15.237 1.00 12.44 O ATOM 852 HG SER A 90 -49.031 20.742 14.474 1.00 0.00 H ATOM 853 H SER A 90 -50.115 20.456 12.427 1.00 0.00 H ATOM 854 N LEU A 91 -49.660 23.518 13.315 1.00 9.80 N ATOM 855 CA LEU A 91 -48.950 24.760 13.621 1.00 9.84 C ATOM 856 C LEU A 91 -49.514 25.982 12.899 1.00 11.01 C ATOM 857 O LEU A 91 -50.140 25.863 11.847 1.00 11.81 O ATOM 858 CB LEU A 91 -47.474 24.621 13.242 1.00 9.50 C ATOM 859 CG LEU A 91 -46.649 23.578 13.993 1.00 8.30 C ATOM 860 CD1 LEU A 91 -45.283 23.481 13.346 1.00 11.72 C ATOM 861 CD2 LEU A 91 -46.535 23.958 15.457 1.00 10.62 C ATOM 862 H LEU A 91 -49.307 22.910 12.549 1.00 0.00 H ATOM 863 N ASP A 92 -49.274 27.152 13.483 1.00 9.89 N ATOM 864 CA ASP A 92 -49.544 28.436 12.836 1.00 8.46 C ATOM 865 C ASP A 92 -48.480 28.749 11.776 1.00 11.11 C ATOM 866 O ASP A 92 -47.450 28.076 11.698 1.00 11.13 O ATOM 867 CB ASP A 92 -49.518 29.531 13.892 1.00 12.12 C ATOM 868 CG ASP A 92 -48.199 29.584 14.611 1.00 6.87 C ATOM 869 OD1 ASP A 92 -48.037 28.815 15.587 1.00 4.14 O ATOM 870 OD2 ASP A 92 -47.317 30.362 14.179 1.00 5.45 O ATOM 871 H ASP A 92 -48.876 27.155 14.444 1.00 0.00 H ATOM 872 N ALA A 93 -48.723 29.789 10.979 1.00 11.43 N ATOM 873 CA ALA A 93 -47.854 30.109 9.843 1.00 13.37 C ATOM 874 C ALA A 93 -46.400 30.370 10.225 1.00 11.90 C ATOM 875 O ALA A 93 -45.484 29.893 9.549 1.00 12.10 O ATOM 876 CB ALA A 93 -48.415 31.292 9.053 1.00 14.17 C ATOM 877 H ALA A 93 -49.551 30.389 11.168 1.00 0.00 H ATOM 878 N VAL A 94 -46.175 31.123 11.295 1.00 10.58 N ATOM 879 CA VAL A 94 -44.798 31.445 11.678 1.00 9.17 C ATOM 880 C VAL A 94 -44.061 30.186 12.127 1.00 9.98 C ATOM 881 O VAL A 94 -42.927 29.925 11.714 1.00 7.50 O ATOM 882 CB VAL A 94 -44.744 32.526 12.768 1.00 11.39 C ATOM 883 CG1 VAL A 94 -43.302 32.761 13.204 1.00 11.16 C ATOM 884 CG2 VAL A 94 -45.358 33.813 12.247 1.00 14.32 C ATOM 885 H VAL A 94 -46.972 31.482 11.858 1.00 0.00 H ATOM 886 N ARG A 95 -44.711 29.380 12.958 1.00 7.71 N ATOM 887 CA ARG A 95 -44.086 28.143 13.408 1.00 6.64 C ATOM 888 C ARG A 95 -43.864 27.138 12.263 1.00 8.44 C ATOM 889 O ARG A 95 -42.893 26.385 12.271 1.00 8.43 O ATOM 890 CB ARG A 95 -44.878 27.538 14.565 1.00 7.74 C ATOM 891 CG ARG A 95 -44.781 28.387 15.817 1.00 7.98 C ATOM 892 CD ARG A 95 -45.477 27.706 16.985 1.00 7.64 C ATOM 893 NE ARG A 95 -45.226 28.409 18.240 1.00 8.61 N ATOM 894 CZ ARG A 95 -46.040 29.320 18.768 1.00 12.13 C ATOM 895 NH1 ARG A 95 -47.160 29.661 18.143 1.00 12.15 N ATOM 896 NH2 ARG A 95 -45.732 29.896 19.928 1.00 10.27 N ATOM 897 HE ARG A 95 -44.352 28.182 18.756 1.00 0.00 H ATOM 898 HH12 ARG A 95 -47.792 30.374 18.560 1.00 0.00 H ATOM 899 HH11 ARG A 95 -47.405 29.216 17.236 1.00 0.00 H ATOM 900 HH22 ARG A 95 -46.368 30.608 20.340 1.00 0.00 H ATOM 901 HH21 ARG A 95 -44.855 29.634 20.422 1.00 0.00 H ATOM 902 H ARG A 95 -45.665 29.631 13.287 1.00 0.00 H ATOM 903 N ARG A 96 -44.740 27.142 11.264 1.00 6.92 N ATOM 904 CA ARG A 96 -44.499 26.311 10.087 1.00 7.12 C ATOM 905 C ARG A 96 -43.176 26.677 9.417 1.00 9.54 C ATOM 906 O ARG A 96 -42.475 25.802 8.909 1.00 8.32 O ATOM 907 CB ARG A 96 -45.653 26.404 9.089 1.00 8.27 C ATOM 908 CG ARG A 96 -46.879 25.644 9.553 1.00 9.14 C ATOM 909 CD ARG A 96 -48.002 25.738 8.537 1.00 13.04 C ATOM 910 NE ARG A 96 -49.202 25.083 9.048 1.00 12.93 N ATOM 911 CZ ARG A 96 -50.401 25.189 8.492 1.00 18.51 C ATOM 912 NH1 ARG A 96 -50.555 25.922 7.400 1.00 18.89 N ATOM 913 NH2 ARG A 96 -51.444 24.560 9.028 1.00 15.78 N ATOM 914 HE ARG A 96 -49.111 24.496 9.902 1.00 0.00 H ATOM 915 HH12 ARG A 96 -51.493 26.009 6.960 1.00 0.00 H ATOM 916 HH11 ARG A 96 -49.738 26.411 6.983 1.00 0.00 H ATOM 917 HH22 ARG A 96 -52.384 24.645 8.590 1.00 0.00 H ATOM 918 HH21 ARG A 96 -51.320 23.984 9.885 1.00 0.00 H ATOM 919 H ARG A 96 -45.593 27.734 11.320 1.00 0.00 H ATOM 920 N CYS A 97 -42.829 27.964 9.429 1.00 9.21 N ATOM 921 CA CYS A 97 -41.541 28.393 8.876 1.00 9.51 C ATOM 922 C CYS A 97 -40.368 27.804 9.646 1.00 7.88 C ATOM 923 O CYS A 97 -39.391 27.348 9.046 1.00 8.10 O ATOM 924 CB CYS A 97 -41.430 29.913 8.845 1.00 7.84 C ATOM 925 SG CYS A 97 -42.530 30.655 7.639 1.00 13.45 S ATOM 926 H CYS A 97 -43.477 28.669 9.834 1.00 0.00 H ATOM 927 N ALA A 98 -40.472 27.791 10.971 1.00 7.18 N ATOM 928 CA ALA A 98 -39.445 27.156 11.794 1.00 6.57 C ATOM 929 C ALA A 98 -39.288 25.675 11.446 1.00 7.13 C ATOM 930 O ALA A 98 -38.170 25.162 11.386 1.00 8.38 O ATOM 931 CB ALA A 98 -39.756 27.332 13.276 1.00 7.15 C ATOM 932 H ALA A 98 -41.293 28.238 11.427 1.00 0.00 H ATOM 933 N ALA A 99 -40.411 24.999 11.213 1.00 7.54 N ATOM 934 CA ALA A 99 -40.402 23.583 10.836 1.00 6.21 C ATOM 935 C ALA A 99 -39.691 23.358 9.507 1.00 7.64 C ATOM 936 O ALA A 99 -38.878 22.443 9.369 1.00 7.90 O ATOM 937 CB ALA A 99 -41.825 23.047 10.762 1.00 7.63 C ATOM 938 H ALA A 99 -41.323 25.491 11.301 1.00 0.00 H ATOM 939 N ILE A 100 -40.008 24.197 8.527 1.00 8.01 N ATOM 940 CA ILE A 100 -39.403 24.078 7.208 1.00 7.70 C ATOM 941 C ILE A 100 -37.905 24.341 7.303 1.00 7.38 C ATOM 942 O ILE A 100 -37.095 23.651 6.671 1.00 8.60 O ATOM 943 CB ILE A 100 -40.063 25.037 6.198 1.00 7.95 C ATOM 944 CG1 ILE A 100 -41.528 24.646 5.992 1.00 7.83 C ATOM 945 CG2 ILE A 100 -39.309 25.017 4.859 1.00 8.26 C ATOM 946 CD1 ILE A 100 -42.376 25.731 5.343 1.00 11.18 C ATOM 947 H ILE A 100 -40.701 24.952 8.705 1.00 0.00 H ATOM 948 N ASN A 101 -37.542 25.326 8.116 1.00 8.52 N ATOM 949 CA ASN A 101 -36.140 25.668 8.323 1.00 8.48 C ATOM 950 C ASN A 101 -35.349 24.445 8.802 1.00 8.05 C ATOM 951 O ASN A 101 -34.293 24.120 8.252 1.00 9.38 O ATOM 952 CB ASN A 101 -36.041 26.826 9.327 1.00 6.46 C ATOM 953 CG ASN A 101 -34.661 27.452 9.374 1.00 8.34 C ATOM 954 OD1 ASN A 101 -33.653 26.764 9.543 1.00 10.01 O ATOM 955 ND2 ASN A 101 -34.611 28.770 9.223 1.00 8.64 N ATOM 956 HD22 ASN A 101 -35.488 29.311 9.083 1.00 0.00 H ATOM 957 HD21 ASN A 101 -33.695 29.262 9.245 1.00 0.00 H ATOM 958 H ASN A 101 -38.276 25.867 8.617 1.00 0.00 H ATOM 959 N MET A 102 -35.870 23.755 9.812 1.00 8.47 N ATOM 960 CA MET A 102 -35.187 22.574 10.336 1.00 6.49 C ATOM 961 C MET A 102 -35.047 21.457 9.303 1.00 9.26 C ATOM 962 O MET A 102 -33.986 20.843 9.189 1.00 9.29 O ATOM 963 CB MET A 102 -35.882 22.046 11.596 1.00 8.11 C ATOM 964 CG MET A 102 -35.777 22.982 12.775 1.00 7.34 C ATOM 965 SD MET A 102 -36.391 22.209 14.274 1.00 10.68 S ATOM 966 CE MET A 102 -35.070 21.064 14.674 1.00 11.34 C ATOM 967 H MET A 102 -36.771 24.058 10.233 1.00 0.00 H ATOM 968 N VAL A 103 -36.108 21.185 8.553 1.00 8.97 N ATOM 969 CA VAL A 103 -36.083 20.144 7.527 1.00 8.95 C ATOM 970 C VAL A 103 -35.142 20.534 6.389 1.00 10.04 C ATOM 971 O VAL A 103 -34.470 19.689 5.791 1.00 11.26 O ATOM 972 CB VAL A 103 -37.502 19.872 6.985 1.00 10.25 C ATOM 973 CG1 VAL A 103 -37.461 18.886 5.823 1.00 8.84 C ATOM 974 CG2 VAL A 103 -38.398 19.353 8.104 1.00 11.53 C ATOM 975 H VAL A 103 -36.983 21.728 8.700 1.00 0.00 H ATOM 976 N PHE A 104 -35.100 21.828 6.085 1.00 8.66 N ATOM 977 CA PHE A 104 -34.185 22.327 5.057 1.00 9.69 C ATOM 978 C PHE A 104 -32.743 22.056 5.491 1.00 9.27 C ATOM 979 O PHE A 104 -31.917 21.589 4.700 1.00 10.73 O ATOM 980 CB PHE A 104 -34.427 23.818 4.815 1.00 9.50 C ATOM 981 CG PHE A 104 -33.619 24.411 3.691 1.00 8.37 C ATOM 982 CD1 PHE A 104 -32.316 24.814 3.898 1.00 11.56 C ATOM 983 CD2 PHE A 104 -34.191 24.618 2.443 1.00 13.01 C ATOM 984 CE1 PHE A 104 -31.585 25.387 2.872 1.00 12.31 C ATOM 985 CE2 PHE A 104 -33.465 25.197 1.415 1.00 13.41 C ATOM 986 CZ PHE A 104 -32.163 25.574 1.630 1.00 10.48 C ATOM 987 H PHE A 104 -35.725 22.493 6.584 1.00 0.00 H ATOM 988 N GLN A 105 -32.444 22.311 6.761 1.00 7.70 N ATOM 989 CA GLN A 105 -31.082 22.140 7.247 1.00 8.41 C ATOM 990 C GLN A 105 -30.672 20.671 7.409 1.00 15.47 C ATOM 991 O GLN A 105 -29.562 20.283 7.039 1.00 14.15 O ATOM 992 CB GLN A 105 -30.895 22.875 8.590 1.00 9.48 C ATOM 993 CG GLN A 105 -29.450 22.831 9.101 1.00 11.00 C ATOM 994 CD GLN A 105 -29.267 23.502 10.450 1.00 12.12 C ATOM 995 OE1 GLN A 105 -30.207 24.045 11.024 1.00 11.55 O ATOM 996 NE2 GLN A 105 -28.044 23.461 10.966 1.00 15.05 N ATOM 997 HE22 GLN A 105 -27.276 22.991 10.446 1.00 0.00 H ATOM 998 HE21 GLN A 105 -27.854 23.899 11.890 1.00 0.00 H ATOM 999 H GLN A 105 -33.188 22.635 7.412 1.00 0.00 H ATOM 1000 N MET A 106 -31.558 19.850 7.957 1.00 10.56 N ATOM 1001 CA MET A 106 -31.134 18.508 8.351 1.00 13.11 C ATOM 1002 C MET A 106 -31.834 17.368 7.624 1.00 16.13 C ATOM 1003 O MET A 106 -31.474 16.202 7.809 1.00 16.44 O ATOM 1004 CB MET A 106 -31.218 18.332 9.875 1.00 15.62 C ATOM 1005 CG MET A 106 -32.588 18.558 10.465 1.00 12.24 C ATOM 1006 SD MET A 106 -32.555 18.789 12.256 1.00 27.90 S ATOM 1007 CE MET A 106 -32.243 20.551 12.355 1.00 13.59 C ATOM 1008 H MET A 106 -32.541 20.157 8.104 1.00 0.00 H ATOM 1009 N GLY A 107 -32.800 17.703 6.774 1.00 11.66 N ATOM 1010 CA GLY A 107 -33.557 16.697 6.053 1.00 14.60 C ATOM 1011 C GLY A 107 -34.463 15.944 7.012 1.00 17.81 C ATOM 1012 O GLY A 107 -34.586 16.304 8.183 1.00 18.40 O ATOM 1013 H GLY A 107 -33.018 18.709 6.623 1.00 0.00 H ATOM 1014 N GLU A 108 -35.119 14.932 6.521 1.00 26.10 N ATOM 1015 CA GLU A 108 -36.010 14.132 7.367 1.00 25.53 C ATOM 1016 C GLU A 108 -35.337 13.055 8.162 1.00 27.22 C ATOM 1017 O GLU A 108 -35.830 12.678 9.151 1.00 32.79 O ATOM 1018 CB GLU A 108 -37.119 13.561 6.539 1.00 30.83 C ATOM 1019 CG GLU A 108 -37.873 14.634 5.909 1.00 31.18 C ATOM 1020 CD GLU A 108 -38.911 14.177 4.980 1.00 37.09 C ATOM 1021 OE1 GLU A 108 -39.345 13.016 4.995 1.00 33.48 O ATOM 1022 OE2 GLU A 108 -39.339 15.041 4.234 1.00 43.91 O ATOM 1023 H GLU A 108 -35.010 14.688 5.516 1.00 0.00 H ATOM 1024 N THR A 109 -34.196 12.578 7.747 1.00 25.20 N ATOM 1025 CA THR A 109 -33.548 11.605 8.554 1.00 25.95 C ATOM 1026 C THR A 109 -32.981 12.359 9.745 1.00 26.55 C ATOM 1027 O THR A 109 -33.027 11.881 10.833 1.00 23.45 O ATOM 1028 CB THR A 109 -32.455 10.835 7.804 1.00 29.20 C ATOM 1029 OG1 THR A 109 -31.478 11.748 7.327 1.00 34.63 O ATOM 1030 CG2 THR A 109 -33.037 10.158 6.655 1.00 27.58 C ATOM 1031 HG1 THR A 109 -30.772 11.251 6.843 1.00 0.00 H ATOM 1032 H THR A 109 -33.774 12.900 6.853 1.00 0.00 H ATOM 1033 N GLY A 110 -32.518 13.584 9.482 1.00 22.03 N ATOM 1034 CA GLY A 110 -31.860 14.397 10.465 1.00 22.03 C ATOM 1035 C GLY A 110 -32.743 14.841 11.596 1.00 21.88 C ATOM 1036 O GLY A 110 -32.237 15.169 12.650 1.00 19.41 O ATOM 1037 H GLY A 110 -32.640 13.966 8.522 1.00 0.00 H ATOM 1038 N VAL A 111 -34.049 14.861 11.358 1.00 20.80 N ATOM 1039 CA VAL A 111 -34.992 15.211 12.417 1.00 18.46 C ATOM 1040 C VAL A 111 -35.644 13.972 13.027 1.00 19.89 C ATOM 1041 O VAL A 111 -36.571 14.082 13.826 1.00 17.53 O ATOM 1042 CB VAL A 111 -36.103 16.162 11.918 1.00 16.87 C ATOM 1043 CG1 VAL A 111 -35.518 17.499 11.513 1.00 16.59 C ATOM 1044 CG2 VAL A 111 -36.866 15.532 10.764 1.00 21.21 C ATOM 1045 H VAL A 111 -34.404 14.625 10.409 1.00 0.00 H ATOM 1046 N ALA A 112 -35.146 12.798 12.654 1.00 20.51 N ATOM 1047 CA ALA A 112 -35.737 11.534 13.090 1.00 20.95 C ATOM 1048 C ALA A 112 -35.799 11.362 14.612 1.00 21.75 C ATOM 1049 O ALA A 112 -36.752 10.777 15.135 1.00 19.10 O ATOM 1050 CB ALA A 112 -35.006 10.357 12.448 1.00 22.69 C ATOM 1051 H ALA A 112 -34.311 12.778 12.034 1.00 0.00 H ATOM 1052 N GLY A 113 -34.788 11.868 15.318 1.00 18.42 N ATOM 1053 CA GLY A 113 -34.703 11.699 16.762 1.00 19.18 C ATOM 1054 C GLY A 113 -35.477 12.736 17.557 1.00 17.76 C ATOM 1055 O GLY A 113 -35.353 12.827 18.778 1.00 16.21 O ATOM 1056 H GLY A 113 -34.041 12.397 14.825 1.00 0.00 H ATOM 1057 N PHE A 114 -36.290 13.517 16.857 1.00 19.01 N ATOM 1058 CA PHE A 114 -37.035 14.607 17.473 1.00 14.20 C ATOM 1059 C PHE A 114 -38.476 14.234 17.854 1.00 15.66 C ATOM 1060 O PHE A 114 -39.315 15.108 18.026 1.00 13.67 O ATOM 1061 CB PHE A 114 -37.009 15.841 16.563 1.00 14.25 C ATOM 1062 CG PHE A 114 -35.676 16.563 16.545 1.00 13.16 C ATOM 1063 CD1 PHE A 114 -35.476 17.703 17.312 1.00 16.07 C ATOM 1064 CD2 PHE A 114 -34.626 16.095 15.768 1.00 21.88 C ATOM 1065 CE1 PHE A 114 -34.254 18.370 17.298 1.00 16.57 C ATOM 1066 CE2 PHE A 114 -33.404 16.755 15.751 1.00 18.82 C ATOM 1067 CZ PHE A 114 -33.218 17.892 16.516 1.00 16.47 C ATOM 1068 H PHE A 114 -36.399 13.346 15.837 1.00 0.00 H ATOM 1069 N THR A 115 -38.746 12.939 18.016 1.00 15.23 N ATOM 1070 CA THR A 115 -40.081 12.458 18.385 1.00 16.95 C ATOM 1071 C THR A 115 -40.691 13.183 19.580 1.00 16.65 C ATOM 1072 O THR A 115 -41.864 13.568 19.556 1.00 14.31 O ATOM 1073 CB THR A 115 -40.068 10.952 18.705 1.00 22.23 C ATOM 1074 OG1 THR A 115 -39.632 10.223 17.553 1.00 22.56 O ATOM 1075 CG2 THR A 115 -41.459 10.479 19.107 1.00 23.18 C ATOM 1076 HG1 THR A 115 -40.252 10.396 16.801 1.00 0.00 H ATOM 1077 H THR A 115 -37.984 12.246 17.876 1.00 0.00 H ATOM 1078 N ASN A 116 -39.899 13.367 20.631 1.00 12.66 N ATOM 1079 CA ASN A 116 -40.404 14.020 21.828 1.00 13.43 C ATOM 1080 C ASN A 116 -40.714 15.500 21.588 1.00 13.10 C ATOM 1081 O ASN A 116 -41.740 15.998 22.038 1.00 12.11 O ATOM 1082 CB ASN A 116 -39.435 13.806 23.002 1.00 13.96 C ATOM 1083 CG ASN A 116 -39.245 12.332 23.322 1.00 25.70 C ATOM 1084 OD1 ASN A 116 -40.210 11.566 23.330 1.00 23.32 O ATOM 1085 ND2 ASN A 116 -38.000 11.919 23.554 1.00 21.92 N ATOM 1086 HD22 ASN A 116 -37.215 12.600 23.537 1.00 0.00 H ATOM 1087 HD21 ASN A 116 -37.813 10.915 23.752 1.00 0.00 H ATOM 1088 H ASN A 116 -38.912 13.042 20.597 1.00 0.00 H ATOM 1089 N SER A 117 -39.839 16.188 20.858 1.00 10.29 N ATOM 1090 CA SER A 117 -40.061 17.590 20.509 1.00 9.67 C ATOM 1091 C SER A 117 -41.304 17.755 19.651 1.00 10.50 C ATOM 1092 O SER A 117 -42.076 18.697 19.835 1.00 11.17 O ATOM 1093 CB SER A 117 -38.855 18.160 19.758 1.00 11.70 C ATOM 1094 OG SER A 117 -37.783 18.425 20.645 1.00 22.96 O ATOM 1095 HG SER A 117 -37.511 17.585 21.092 1.00 0.00 H ATOM 1096 H SER A 117 -38.974 15.715 20.527 1.00 0.00 H ATOM 1097 N LEU A 118 -41.488 16.836 18.710 1.00 9.38 N ATOM 1098 CA LEU A 118 -42.660 16.863 17.836 1.00 10.75 C ATOM 1099 C LEU A 118 -43.948 16.764 18.643 1.00 11.97 C ATOM 1100 O LEU A 118 -44.917 17.485 18.382 1.00 11.67 O ATOM 1101 CB LEU A 118 -42.590 15.728 16.818 1.00 10.85 C ATOM 1102 CG LEU A 118 -41.635 15.969 15.653 1.00 12.59 C ATOM 1103 CD1 LEU A 118 -41.333 14.666 14.933 1.00 14.72 C ATOM 1104 CD2 LEU A 118 -42.238 16.990 14.692 1.00 14.88 C ATOM 1105 H LEU A 118 -40.783 16.081 18.592 1.00 0.00 H ATOM 1106 N ARG A 119 -43.949 15.874 19.630 1.00 11.56 N ATOM 1107 CA ARG A 119 -45.105 15.687 20.496 1.00 14.92 C ATOM 1108 C ARG A 119 -45.423 16.977 21.242 1.00 13.58 C ATOM 1109 O ARG A 119 -46.581 17.390 21.308 1.00 11.03 O ATOM 1110 CB ARG A 119 -44.855 14.550 21.489 1.00 15.01 C ATOM 1111 CG ARG A 119 -46.122 13.896 22.015 1.00 21.09 C ATOM 1112 CD ARG A 119 -45.832 13.029 23.229 1.00 21.74 C ATOM 1113 NE ARG A 119 -44.831 13.631 24.105 1.00 23.54 N ATOM 1114 CZ ARG A 119 -43.583 13.190 24.226 1.00 26.37 C ATOM 1115 NH1 ARG A 119 -43.178 12.140 23.526 1.00 28.16 N ATOM 1116 NH2 ARG A 119 -42.739 13.799 25.048 1.00 28.80 N ATOM 1117 HE ARG A 119 -45.112 14.457 24.670 1.00 0.00 H ATOM 1118 HH12 ARG A 119 -42.201 11.796 23.622 1.00 0.00 H ATOM 1119 HH11 ARG A 119 -43.837 11.660 22.881 1.00 0.00 H ATOM 1120 HH22 ARG A 119 -41.763 13.453 25.141 1.00 0.00 H ATOM 1121 HH21 ARG A 119 -43.053 14.623 25.599 1.00 0.00 H ATOM 1122 H ARG A 119 -43.100 15.295 19.789 1.00 0.00 H ATOM 1123 N MET A 120 -44.396 17.609 21.802 1.00 9.83 N ATOM 1124 CA MET A 120 -44.585 18.855 22.535 1.00 8.88 C ATOM 1125 C MET A 120 -45.085 19.980 21.641 1.00 10.22 C ATOM 1126 O MET A 120 -45.933 20.771 22.053 1.00 9.01 O ATOM 1127 CB MET A 120 -43.296 19.265 23.240 1.00 9.06 C ATOM 1128 CG MET A 120 -42.879 18.253 24.290 1.00 15.15 C ATOM 1129 SD MET A 120 -41.256 18.661 24.927 1.00 18.37 S ATOM 1130 CE MET A 120 -40.892 17.243 25.957 1.00 19.75 C ATOM 1131 H MET A 120 -43.441 17.207 21.716 1.00 0.00 H ATOM 1132 N LEU A 121 -44.553 20.061 20.424 1.00 8.87 N ATOM 1133 CA LEU A 121 -45.037 21.047 19.462 1.00 7.40 C ATOM 1134 C LEU A 121 -46.502 20.798 19.111 1.00 9.66 C ATOM 1135 O LEU A 121 -47.295 21.736 19.033 1.00 10.92 O ATOM 1136 CB LEU A 121 -44.191 21.030 18.187 1.00 7.03 C ATOM 1137 CG LEU A 121 -42.758 21.536 18.335 1.00 8.84 C ATOM 1138 CD1 LEU A 121 -41.969 21.266 17.052 1.00 9.61 C ATOM 1139 CD2 LEU A 121 -42.724 23.017 18.681 1.00 9.98 C ATOM 1140 H LEU A 121 -43.784 19.415 20.155 1.00 0.00 H ATOM 1141 N GLN A 122 -46.862 19.539 18.895 1.00 7.75 N ATOM 1142 CA GLN A 122 -48.255 19.219 18.567 1.00 10.52 C ATOM 1143 C GLN A 122 -49.187 19.591 19.724 1.00 12.95 C ATOM 1144 O GLN A 122 -50.324 20.022 19.507 1.00 14.33 O ATOM 1145 CB GLN A 122 -48.401 17.742 18.187 1.00 13.69 C ATOM 1146 CG GLN A 122 -49.777 17.382 17.629 1.00 20.97 C ATOM 1147 CD GLN A 122 -49.731 16.183 16.694 1.00 27.59 C ATOM 1148 H GLN A 122 -46.155 18.779 18.958 1.00 0.00 H ATOM 1149 N GLN A 123 -48.687 19.445 20.948 1.00 10.75 N ATOM 1150 CA GLN A 123 -49.450 19.781 22.147 1.00 11.06 C ATOM 1151 C GLN A 123 -49.421 21.276 22.484 1.00 11.87 C ATOM 1152 O GLN A 123 -50.031 21.703 23.470 1.00 11.77 O ATOM 1153 CB GLN A 123 -48.901 19.004 23.344 1.00 11.49 C ATOM 1154 CG GLN A 123 -49.104 17.506 23.281 1.00 19.48 C ATOM 1155 CD GLN A 123 -48.432 16.792 24.444 1.00 20.86 C ATOM 1156 OE1 GLN A 123 -47.307 17.122 24.826 1.00 26.40 O ATOM 1157 NE2 GLN A 123 -49.117 15.810 25.008 1.00 34.39 N ATOM 1158 HE22 GLN A 123 -50.063 15.565 24.653 1.00 0.00 H ATOM 1159 HE21 GLN A 123 -48.709 15.283 25.806 1.00 0.00 H ATOM 1160 H GLN A 123 -47.719 19.079 21.055 1.00 0.00 H ATOM 1161 N LYS A 124 -48.693 22.056 21.686 1.00 9.47 N ATOM 1162 CA LYS A 124 -48.513 23.493 21.916 1.00 8.08 C ATOM 1163 C LYS A 124 -47.893 23.826 23.278 1.00 9.54 C ATOM 1164 O LYS A 124 -48.194 24.853 23.887 1.00 11.12 O ATOM 1165 CB LYS A 124 -49.828 24.257 21.685 1.00 8.30 C ATOM 1166 CG LYS A 124 -50.418 23.996 20.290 1.00 13.66 C ATOM 1167 CD LYS A 124 -51.474 25.038 19.917 1.00 14.76 C ATOM 1168 CE LYS A 124 -51.983 24.822 18.496 1.00 12.19 C ATOM 1169 NZ LYS A 124 -50.868 24.823 17.494 1.00 12.62 N ATOM 1170 HZ1 LYS A 124 -50.374 25.738 17.527 1.00 0.00 H ATOM 1171 HZ2 LYS A 124 -50.200 24.059 17.720 1.00 0.00 H ATOM 1172 HZ3 LYS A 124 -51.259 24.673 16.542 1.00 0.00 H ATOM 1173 H LYS A 124 -48.230 21.625 20.860 1.00 0.00 H ATOM 1174 N ARG A 125 -47.021 22.941 23.743 1.00 9.87 N ATOM 1175 CA ARG A 125 -46.266 23.170 24.962 1.00 8.84 C ATOM 1176 C ARG A 125 -44.954 23.813 24.540 1.00 9.43 C ATOM 1177 O ARG A 125 -43.922 23.148 24.450 1.00 11.33 O ATOM 1178 CB ARG A 125 -46.044 21.844 25.686 1.00 9.80 C ATOM 1179 CG ARG A 125 -47.349 21.199 26.157 1.00 12.65 C ATOM 1180 CD ARG A 125 -47.101 19.889 26.896 1.00 21.50 C ATOM 1181 NE ARG A 125 -48.339 19.317 27.427 1.00 29.39 N ATOM 1182 HE ARG A 125 -49.244 19.806 27.277 1.00 0.00 H ATOM 1183 H ARG A 125 -46.874 22.055 23.218 1.00 0.00 H ATOM 1184 N TRP A 126 -45.010 25.117 24.280 1.00 9.66 N ATOM 1185 CA TRP A 126 -43.939 25.797 23.558 1.00 9.74 C ATOM 1186 C TRP A 126 -42.635 25.900 24.343 1.00 12.04 C ATOM 1187 O TRP A 126 -41.566 25.684 23.790 1.00 11.30 O ATOM 1188 CB TRP A 126 -44.377 27.193 23.106 1.00 9.22 C ATOM 1189 CG TRP A 126 -45.665 27.234 22.328 1.00 9.16 C ATOM 1190 CD1 TRP A 126 -46.765 27.997 22.613 1.00 8.76 C ATOM 1191 CD2 TRP A 126 -45.986 26.502 21.132 1.00 8.30 C ATOM 1192 NE1 TRP A 126 -47.747 27.780 21.677 1.00 10.05 N ATOM 1193 CE2 TRP A 126 -47.292 26.871 20.755 1.00 8.86 C ATOM 1194 CE3 TRP A 126 -45.299 25.565 20.352 1.00 10.03 C ATOM 1195 CZ2 TRP A 126 -47.924 26.342 19.627 1.00 11.39 C ATOM 1196 CZ3 TRP A 126 -45.931 25.039 19.226 1.00 9.62 C ATOM 1197 CH2 TRP A 126 -47.229 25.430 18.878 1.00 10.45 C ATOM 1198 HE1 TRP A 126 -48.684 28.232 21.669 1.00 0.00 H ATOM 1199 H TRP A 126 -45.835 25.664 24.598 1.00 0.00 H ATOM 1200 N ASP A 127 -42.715 26.255 25.623 1.00 11.81 N ATOM 1201 CA ASP A 127 -41.504 26.365 26.429 1.00 12.01 C ATOM 1202 C ASP A 127 -40.848 24.997 26.586 1.00 10.21 C ATOM 1203 O ASP A 127 -39.622 24.872 26.499 1.00 12.75 O ATOM 1204 CB ASP A 127 -41.811 26.971 27.803 1.00 13.98 C ATOM 1205 CG ASP A 127 -41.937 28.488 27.764 1.00 26.06 C ATOM 1206 OD1 ASP A 127 -42.225 29.042 26.684 1.00 28.22 O ATOM 1207 OD2 ASP A 127 -41.757 29.135 28.824 1.00 24.13 O ATOM 1208 H ASP A 127 -43.642 26.454 26.049 1.00 0.00 H ATOM 1209 N GLU A 128 -41.665 23.971 26.801 1.00 11.03 N ATOM 1210 CA GLU A 128 -41.165 22.613 26.940 1.00 11.32 C ATOM 1211 C GLU A 128 -40.492 22.139 25.653 1.00 11.09 C ATOM 1212 O GLU A 128 -39.410 21.541 25.687 1.00 11.83 O ATOM 1213 CB GLU A 128 -42.309 21.671 27.327 1.00 14.89 C ATOM 1214 CG GLU A 128 -42.903 21.956 28.707 1.00 20.04 C ATOM 1215 CD GLU A 128 -44.098 22.910 28.690 1.00 20.77 C ATOM 1216 OE1 GLU A 128 -44.220 23.753 27.771 1.00 13.52 O ATOM 1217 OE2 GLU A 128 -44.930 22.811 29.620 1.00 28.88 O ATOM 1218 H GLU A 128 -42.688 24.144 26.872 1.00 0.00 H ATOM 1219 N ALA A 129 -41.142 22.402 24.522 1.00 9.08 N ATOM 1220 CA ALA A 129 -40.580 22.043 23.222 1.00 10.16 C ATOM 1221 C ALA A 129 -39.237 22.732 23.018 1.00 9.38 C ATOM 1222 O ALA A 129 -38.278 22.119 22.545 1.00 10.28 O ATOM 1223 CB ALA A 129 -41.538 22.413 22.096 1.00 12.30 C ATOM 1224 H ALA A 129 -42.069 22.872 24.564 1.00 0.00 H ATOM 1225 N ALA A 130 -39.173 24.011 23.385 1.00 9.33 N ATOM 1226 CA ALA A 130 -37.955 24.794 23.208 1.00 10.50 C ATOM 1227 C ALA A 130 -36.801 24.195 23.997 1.00 10.35 C ATOM 1228 O ALA A 130 -35.678 24.095 23.496 1.00 11.40 O ATOM 1229 CB ALA A 130 -38.188 26.243 23.616 1.00 11.69 C ATOM 1230 H ALA A 130 -40.010 24.461 23.807 1.00 0.00 H ATOM 1231 N VAL A 131 -37.081 23.797 25.232 1.00 9.30 N ATOM 1232 CA VAL A 131 -36.062 23.163 26.057 1.00 10.38 C ATOM 1233 C VAL A 131 -35.636 21.835 25.443 1.00 11.36 C ATOM 1234 O VAL A 131 -34.453 21.521 25.375 1.00 11.45 O ATOM 1235 CB VAL A 131 -36.553 22.946 27.500 1.00 11.53 C ATOM 1236 CG1 VAL A 131 -35.579 22.063 28.263 1.00 15.82 C ATOM 1237 CG2 VAL A 131 -36.721 24.287 28.193 1.00 15.69 C ATOM 1238 H VAL A 131 -38.038 23.939 25.614 1.00 0.00 H ATOM 1239 N ASN A 132 -36.603 21.050 24.986 1.00 8.61 N ATOM 1240 CA ASN A 132 -36.277 19.759 24.401 1.00 11.64 C ATOM 1241 C ASN A 132 -35.459 19.898 23.116 1.00 10.84 C ATOM 1242 O ASN A 132 -34.533 19.121 22.870 1.00 11.64 O ATOM 1243 CB ASN A 132 -37.546 18.953 24.130 1.00 11.25 C ATOM 1244 CG ASN A 132 -37.249 17.520 23.756 1.00 17.03 C ATOM 1245 OD1 ASN A 132 -37.180 17.166 22.572 1.00 16.78 O ATOM 1246 ND2 ASN A 132 -37.054 16.684 24.763 1.00 17.32 N ATOM 1247 HD22 ASN A 132 -37.122 17.026 25.743 1.00 0.00 H ATOM 1248 HD21 ASN A 132 -36.833 15.685 24.574 1.00 0.00 H ATOM 1249 H ASN A 132 -37.595 21.358 25.046 1.00 0.00 H ATOM 1250 N LEU A 133 -35.802 20.889 22.299 1.00 9.67 N ATOM 1251 CA LEU A 133 -35.124 21.067 21.017 1.00 10.58 C ATOM 1252 C LEU A 133 -33.640 21.383 21.191 1.00 11.82 C ATOM 1253 O LEU A 133 -32.821 21.041 20.333 1.00 12.11 O ATOM 1254 CB LEU A 133 -35.797 22.169 20.191 1.00 9.69 C ATOM 1255 CG LEU A 133 -37.114 21.792 19.514 1.00 9.71 C ATOM 1256 CD1 LEU A 133 -37.861 23.050 19.110 1.00 9.59 C ATOM 1257 CD2 LEU A 133 -36.858 20.909 18.299 1.00 13.22 C ATOM 1258 H LEU A 133 -36.561 21.544 22.575 1.00 0.00 H ATOM 1259 N ALA A 134 -33.298 22.043 22.293 1.00 10.19 N ATOM 1260 CA ALA A 134 -31.916 22.442 22.539 1.00 11.57 C ATOM 1261 C ALA A 134 -31.044 21.278 23.017 1.00 11.15 C ATOM 1262 O ALA A 134 -29.812 21.381 23.013 1.00 14.05 O ATOM 1263 CB ALA A 134 -31.860 23.607 23.523 1.00 12.30 C ATOM 1264 H ALA A 134 -34.029 22.280 22.993 1.00 0.00 H ATOM 1265 N LYS A 135 -31.679 20.176 23.418 1.00 10.31 N ATOM 1266 CA LYS A 135 -30.950 18.969 23.819 1.00 11.57 C ATOM 1267 C LYS A 135 -30.628 18.130 22.593 1.00 10.52 C ATOM 1268 O LYS A 135 -31.119 17.017 22.432 1.00 14.31 O ATOM 1269 CB LYS A 135 -31.761 18.149 24.820 1.00 11.11 C ATOM 1270 CG LYS A 135 -32.082 18.909 26.089 1.00 13.63 C ATOM 1271 CD LYS A 135 -33.005 18.116 26.999 1.00 21.06 C ATOM 1272 CE LYS A 135 -33.414 18.950 28.205 1.00 18.60 C ATOM 1273 NZ LYS A 135 -34.372 18.226 29.086 1.00 21.64 N ATOM 1274 HZ1 LYS A 135 -35.230 17.993 28.546 1.00 0.00 H ATOM 1275 HZ2 LYS A 135 -33.930 17.350 29.431 1.00 0.00 H ATOM 1276 HZ3 LYS A 135 -34.623 18.831 29.894 1.00 0.00 H ATOM 1277 H LYS A 135 -32.719 20.173 23.447 1.00 0.00 H ATOM 1278 N SER A 136 -29.798 18.673 21.719 1.00 9.08 N ATOM 1279 CA SER A 136 -29.604 18.063 20.416 1.00 8.83 C ATOM 1280 C SER A 136 -28.238 18.395 19.867 1.00 9.31 C ATOM 1281 O SER A 136 -27.665 19.432 20.195 1.00 7.95 O ATOM 1282 CB SER A 136 -30.661 18.566 19.429 1.00 10.83 C ATOM 1283 OG SER A 136 -30.567 19.976 19.265 1.00 10.01 O ATOM 1284 HG SER A 136 -30.709 20.419 20.139 1.00 0.00 H ATOM 1285 H SER A 136 -29.282 19.541 21.966 1.00 0.00 H ATOM 1286 N ARG A 137 -27.724 17.518 19.015 1.00 8.12 N ATOM 1287 CA ARG A 137 -26.478 17.813 18.329 1.00 7.96 C ATOM 1288 C ARG A 137 -26.683 19.079 17.515 1.00 11.78 C ATOM 1289 O ARG A 137 -25.807 19.935 17.444 1.00 10.84 O ATOM 1290 CB ARG A 137 -26.053 16.658 17.418 1.00 8.82 C ATOM 1291 CG ARG A 137 -24.789 16.979 16.626 1.00 11.79 C ATOM 1292 CD ARG A 137 -24.402 15.878 15.663 1.00 15.24 C ATOM 1293 NE ARG A 137 -23.117 16.179 15.036 1.00 16.15 N ATOM 1294 CZ ARG A 137 -22.965 16.951 13.965 1.00 22.23 C ATOM 1295 NH1 ARG A 137 -24.021 17.508 13.382 1.00 19.60 N ATOM 1296 NH2 ARG A 137 -21.750 17.170 13.477 1.00 20.78 N ATOM 1297 HE ARG A 137 -22.263 15.760 15.457 1.00 0.00 H ATOM 1298 HH12 ARG A 137 -23.895 18.111 12.544 1.00 0.00 H ATOM 1299 HH11 ARG A 137 -24.974 17.341 13.763 1.00 0.00 H ATOM 1300 HH22 ARG A 137 -21.627 17.774 12.639 1.00 0.00 H ATOM 1301 HH21 ARG A 137 -20.921 16.738 13.933 1.00 0.00 H ATOM 1302 H ARG A 137 -28.214 16.618 18.838 1.00 0.00 H ATOM 1303 N TRP A 138 -27.868 19.199 16.924 1.00 7.80 N ATOM 1304 CA TRP A 138 -28.230 20.371 16.130 1.00 8.64 C ATOM 1305 C TRP A 138 -27.934 21.672 16.859 1.00 9.20 C ATOM 1306 O TRP A 138 -27.238 22.551 16.339 1.00 10.24 O ATOM 1307 CB TRP A 138 -29.715 20.286 15.797 1.00 9.20 C ATOM 1308 CG TRP A 138 -30.293 21.495 15.145 1.00 11.64 C ATOM 1309 CD1 TRP A 138 -29.903 22.068 13.967 1.00 12.76 C ATOM 1310 CD2 TRP A 138 -31.403 22.260 15.619 1.00 8.68 C ATOM 1311 NE1 TRP A 138 -30.700 23.160 13.686 1.00 11.60 N ATOM 1312 CE2 TRP A 138 -31.632 23.293 14.683 1.00 8.51 C ATOM 1313 CE3 TRP A 138 -32.225 22.176 16.747 1.00 8.73 C ATOM 1314 CZ2 TRP A 138 -32.653 24.231 14.837 1.00 9.95 C ATOM 1315 CZ3 TRP A 138 -33.235 23.103 16.902 1.00 10.53 C ATOM 1316 CH2 TRP A 138 -33.443 24.122 15.948 1.00 10.36 C ATOM 1317 HE1 TRP A 138 -30.609 23.779 12.855 1.00 0.00 H ATOM 1318 H TRP A 138 -28.562 18.432 17.031 1.00 0.00 H ATOM 1319 N TYR A 139 -28.462 21.794 18.069 1.00 8.75 N ATOM 1320 CA TYR A 139 -28.276 22.993 18.875 1.00 9.20 C ATOM 1321 C TYR A 139 -26.805 23.208 19.192 1.00 10.69 C ATOM 1322 O TYR A 139 -26.291 24.322 19.091 1.00 12.03 O ATOM 1323 CB TYR A 139 -29.080 22.879 20.167 1.00 10.72 C ATOM 1324 CG TYR A 139 -28.923 24.053 21.102 1.00 11.38 C ATOM 1325 CD1 TYR A 139 -29.721 25.178 20.968 1.00 15.20 C ATOM 1326 CD2 TYR A 139 -27.989 24.026 22.133 1.00 18.43 C ATOM 1327 CE1 TYR A 139 -29.589 26.254 21.828 1.00 20.57 C ATOM 1328 CE2 TYR A 139 -27.850 25.098 23.002 1.00 24.68 C ATOM 1329 CZ TYR A 139 -28.654 26.210 22.840 1.00 29.88 C ATOM 1330 OH TYR A 139 -28.530 27.285 23.689 1.00 38.99 O ATOM 1331 HH TYR A 139 -29.179 27.986 23.429 1.00 0.00 H ATOM 1332 H TYR A 139 -29.026 21.010 18.454 1.00 0.00 H ATOM 1333 N ASN A 140 -26.117 22.134 19.565 1.00 8.23 N ATOM 1334 CA ASN A 140 -24.726 22.272 19.973 1.00 8.53 C ATOM 1335 C ASN A 140 -23.785 22.620 18.829 1.00 9.70 C ATOM 1336 O ASN A 140 -22.809 23.346 19.026 1.00 12.85 O ATOM 1337 CB ASN A 140 -24.253 21.021 20.707 1.00 12.12 C ATOM 1338 CG ASN A 140 -24.749 20.984 22.132 1.00 15.79 C ATOM 1339 OD1 ASN A 140 -24.203 21.667 23.000 1.00 19.27 O ATOM 1340 ND2 ASN A 140 -25.797 20.207 22.383 1.00 12.14 N ATOM 1341 HD22 ASN A 140 -26.225 19.648 21.618 1.00 0.00 H ATOM 1342 HD21 ASN A 140 -26.189 20.158 23.345 1.00 0.00 H ATOM 1343 H ASN A 140 -26.570 21.198 19.566 1.00 0.00 H ATOM 1344 N GLN A 141 -24.079 22.124 17.633 1.00 8.05 N ATOM 1345 CA GLN A 141 -23.207 22.388 16.492 1.00 9.07 C ATOM 1346 C GLN A 141 -23.488 23.723 15.788 1.00 12.97 C ATOM 1347 O GLN A 141 -22.573 24.342 15.249 1.00 13.76 O ATOM 1348 CB GLN A 141 -23.260 21.234 15.488 1.00 11.07 C ATOM 1349 CG GLN A 141 -22.829 19.896 16.064 1.00 16.68 C ATOM 1350 CD GLN A 141 -21.395 19.901 16.549 1.00 17.79 C ATOM 1351 OE1 GLN A 141 -20.486 20.368 15.848 1.00 19.61 O ATOM 1352 NE2 GLN A 141 -21.181 19.396 17.758 1.00 15.56 N ATOM 1353 HE22 GLN A 141 -21.975 19.015 18.310 1.00 0.00 H ATOM 1354 HE21 GLN A 141 -20.219 19.382 18.153 1.00 0.00 H ATOM 1355 H GLN A 141 -24.934 21.545 17.508 1.00 0.00 H ATOM 1356 N THR A 142 -24.743 24.165 15.786 1.00 10.47 N ATOM 1357 CA THR A 142 -25.087 25.465 15.198 1.00 9.43 C ATOM 1358 C THR A 142 -25.971 26.229 16.174 1.00 10.32 C ATOM 1359 O THR A 142 -27.160 26.430 15.924 1.00 10.74 O ATOM 1360 CB THR A 142 -25.801 25.329 13.818 1.00 11.49 C ATOM 1361 OG1 THR A 142 -26.891 24.403 13.917 1.00 14.99 O ATOM 1362 CG2 THR A 142 -24.835 24.819 12.749 1.00 11.73 C ATOM 1363 HG1 THR A 142 -26.546 23.517 14.194 1.00 0.00 H ATOM 1364 H THR A 142 -25.492 23.580 16.208 1.00 0.00 H ATOM 1365 N PRO A 143 -25.391 26.658 17.303 1.00 9.48 N ATOM 1366 CA PRO A 143 -26.226 27.219 18.368 1.00 9.52 C ATOM 1367 C PRO A 143 -26.890 28.532 17.985 1.00 10.44 C ATOM 1368 O PRO A 143 -28.033 28.741 18.364 1.00 10.27 O ATOM 1369 CB PRO A 143 -25.238 27.422 19.529 1.00 13.40 C ATOM 1370 CG PRO A 143 -23.881 27.404 18.895 1.00 12.30 C ATOM 1371 CD PRO A 143 -23.990 26.481 17.725 1.00 12.09 C ATOM 1372 N ASN A 144 -26.209 29.410 17.257 1.00 8.57 N ATOM 1373 CA ASN A 144 -26.843 30.688 16.930 1.00 10.09 C ATOM 1374 C ASN A 144 -28.092 30.501 16.074 1.00 8.88 C ATOM 1375 O ASN A 144 -29.141 31.090 16.351 1.00 8.96 O ATOM 1376 CB ASN A 144 -25.860 31.654 16.275 1.00 9.50 C ATOM 1377 CG ASN A 144 -24.876 32.242 17.280 1.00 15.52 C ATOM 1378 OD1 ASN A 144 -24.925 31.919 18.467 1.00 23.03 O ATOM 1379 ND2 ASN A 144 -23.983 33.104 16.808 1.00 24.23 N ATOM 1380 HD22 ASN A 144 -23.979 33.347 15.797 1.00 0.00 H ATOM 1381 HD21 ASN A 144 -23.287 33.536 17.449 1.00 0.00 H ATOM 1382 H ASN A 144 -25.247 29.194 16.927 1.00 0.00 H ATOM 1383 N ARG A 145 -27.979 29.666 15.048 1.00 7.91 N ATOM 1384 CA ARG A 145 -29.117 29.400 14.189 1.00 8.54 C ATOM 1385 C ARG A 145 -30.198 28.635 14.939 1.00 8.25 C ATOM 1386 O ARG A 145 -31.378 28.944 14.814 1.00 8.43 O ATOM 1387 CB ARG A 145 -28.700 28.613 12.958 1.00 8.14 C ATOM 1388 CG ARG A 145 -29.880 28.328 12.056 1.00 13.86 C ATOM 1389 CD ARG A 145 -29.464 27.437 10.958 1.00 17.83 C ATOM 1390 NE ARG A 145 -30.536 27.153 10.016 1.00 9.47 N ATOM 1391 CZ ARG A 145 -30.282 26.734 8.788 1.00 10.67 C ATOM 1392 NH1 ARG A 145 -29.016 26.577 8.421 1.00 15.18 N ATOM 1393 NH2 ARG A 145 -31.266 26.468 7.945 1.00 9.51 N ATOM 1394 HE ARG A 145 -31.524 27.282 10.315 1.00 0.00 H ATOM 1395 HH12 ARG A 145 -28.790 26.249 7.460 1.00 0.00 H ATOM 1396 HH11 ARG A 145 -28.250 26.782 9.094 1.00 0.00 H ATOM 1397 HH22 ARG A 145 -31.051 26.139 6.982 1.00 0.00 H ATOM 1398 HH21 ARG A 145 -32.255 26.588 8.245 1.00 0.00 H ATOM 1399 H ARG A 145 -27.069 29.200 14.859 1.00 0.00 H ATOM 1400 N ALA A 146 -29.802 27.630 15.716 1.00 7.66 N ATOM 1401 CA ALA A 146 -30.791 26.854 16.466 1.00 8.02 C ATOM 1402 C ALA A 146 -31.554 27.739 17.441 1.00 8.95 C ATOM 1403 O ALA A 146 -32.764 27.592 17.605 1.00 9.10 O ATOM 1404 CB ALA A 146 -30.135 25.683 17.193 1.00 8.72 C ATOM 1405 H ALA A 146 -28.791 27.396 15.790 1.00 0.00 H ATOM 1406 N LYS A 147 -30.849 28.659 18.097 1.00 8.68 N ATOM 1407 CA LYS A 147 -31.510 29.569 19.023 1.00 9.60 C ATOM 1408 C LYS A 147 -32.552 30.416 18.308 1.00 9.28 C ATOM 1409 O LYS A 147 -33.626 30.664 18.854 1.00 10.09 O ATOM 1410 CB LYS A 147 -30.502 30.462 19.750 1.00 9.38 C ATOM 1411 CG LYS A 147 -29.649 29.726 20.771 1.00 11.87 C ATOM 1412 CD LYS A 147 -28.594 30.670 21.367 1.00 17.57 C ATOM 1413 CE LYS A 147 -27.575 29.911 22.204 1.00 32.78 C ATOM 1414 H LYS A 147 -29.822 28.728 17.948 1.00 0.00 H ATOM 1415 N ARG A 148 -32.245 30.858 17.090 1.00 8.81 N ATOM 1416 CA ARG A 148 -33.219 31.641 16.314 1.00 7.87 C ATOM 1417 C ARG A 148 -34.446 30.809 15.974 1.00 7.77 C ATOM 1418 O ARG A 148 -35.576 31.265 16.129 1.00 8.05 O ATOM 1419 CB ARG A 148 -32.604 32.197 15.026 1.00 8.06 C ATOM 1420 CG ARG A 148 -31.658 33.365 15.246 1.00 10.58 C ATOM 1421 CD ARG A 148 -31.345 34.083 13.929 1.00 8.44 C ATOM 1422 NE ARG A 148 -30.582 33.251 12.993 1.00 10.10 N ATOM 1423 CZ ARG A 148 -29.252 33.142 12.985 1.00 14.84 C ATOM 1424 NH1 ARG A 148 -28.514 33.803 13.876 1.00 11.76 N ATOM 1425 NH2 ARG A 148 -28.660 32.364 12.086 1.00 11.75 N ATOM 1426 HE ARG A 148 -31.115 32.707 12.285 1.00 0.00 H ATOM 1427 HH12 ARG A 148 -27.478 33.712 13.863 1.00 0.00 H ATOM 1428 HH11 ARG A 148 -28.974 34.409 14.585 1.00 0.00 H ATOM 1429 HH22 ARG A 148 -27.624 32.276 12.076 1.00 0.00 H ATOM 1430 HH21 ARG A 148 -29.233 31.843 11.392 1.00 0.00 H ATOM 1431 H ARG A 148 -31.310 30.648 16.685 1.00 0.00 H ATOM 1432 N VAL A 149 -34.215 29.584 15.516 1.00 7.02 N ATOM 1433 CA VAL A 149 -35.308 28.702 15.119 1.00 6.91 C ATOM 1434 C VAL A 149 -36.138 28.330 16.350 1.00 7.76 C ATOM 1435 O VAL A 149 -37.372 28.362 16.327 1.00 8.91 O ATOM 1436 CB VAL A 149 -34.769 27.446 14.427 1.00 7.31 C ATOM 1437 CG1 VAL A 149 -35.902 26.439 14.188 1.00 9.33 C ATOM 1438 CG2 VAL A 149 -34.093 27.836 13.112 1.00 7.24 C ATOM 1439 H VAL A 149 -33.234 29.246 15.439 1.00 0.00 H ATOM 1440 N ILE A 150 -35.459 28.004 17.443 1.00 8.20 N ATOM 1441 CA ILE A 150 -36.162 27.656 18.670 1.00 7.96 C ATOM 1442 C ILE A 150 -36.996 28.819 19.203 1.00 9.54 C ATOM 1443 O ILE A 150 -38.126 28.620 19.645 1.00 9.49 O ATOM 1444 CB ILE A 150 -35.185 27.142 19.750 1.00 7.31 C ATOM 1445 CG1 ILE A 150 -34.614 25.793 19.311 1.00 9.02 C ATOM 1446 CG2 ILE A 150 -35.884 27.032 21.102 1.00 11.03 C ATOM 1447 CD1 ILE A 150 -33.477 25.262 20.180 1.00 9.94 C ATOM 1448 H ILE A 150 -34.419 27.997 17.423 1.00 0.00 H ATOM 1449 N THR A 151 -36.447 30.032 19.160 1.00 7.13 N ATOM 1450 CA THR A 151 -37.203 31.207 19.581 1.00 11.25 C ATOM 1451 C THR A 151 -38.458 31.382 18.741 1.00 9.50 C ATOM 1452 O THR A 151 -39.504 31.801 19.242 1.00 10.22 O ATOM 1453 CB THR A 151 -36.344 32.475 19.507 1.00 12.06 C ATOM 1454 OG1 THR A 151 -35.405 32.449 20.585 1.00 14.81 O ATOM 1455 CG2 THR A 151 -37.209 33.717 19.652 1.00 14.46 C ATOM 1456 HG1 THR A 151 -34.842 33.263 20.551 1.00 0.00 H ATOM 1457 H THR A 151 -35.469 30.143 18.823 1.00 0.00 H ATOM 1458 N THR A 152 -38.347 31.059 17.461 1.00 7.60 N ATOM 1459 CA THR A 152 -39.482 31.147 16.561 1.00 8.26 C ATOM 1460 C THR A 152 -40.560 30.134 16.971 1.00 11.19 C ATOM 1461 O THR A 152 -41.737 30.483 17.044 1.00 9.49 O ATOM 1462 CB THR A 152 -39.040 30.966 15.097 1.00 6.95 C ATOM 1463 OG1 THR A 152 -37.974 31.891 14.824 1.00 8.83 O ATOM 1464 CG2 THR A 152 -40.196 31.244 14.156 1.00 8.56 C ATOM 1465 HG1 THR A 152 -37.215 31.706 15.432 1.00 0.00 H ATOM 1466 H THR A 152 -37.429 30.736 17.094 1.00 0.00 H ATOM 1467 N PHE A 153 -40.159 28.896 17.259 1.00 9.19 N ATOM 1468 CA PHE A 153 -41.094 27.895 17.787 1.00 10.60 C ATOM 1469 C PHE A 153 -41.681 28.306 19.141 1.00 13.64 C ATOM 1470 O PHE A 153 -42.865 28.087 19.423 1.00 12.23 O ATOM 1471 CB PHE A 153 -40.400 26.535 17.960 1.00 9.29 C ATOM 1472 CG PHE A 153 -40.388 25.675 16.725 1.00 7.81 C ATOM 1473 CD1 PHE A 153 -41.565 25.388 16.038 1.00 8.82 C ATOM 1474 CD2 PHE A 153 -39.202 25.124 16.266 1.00 10.55 C ATOM 1475 CE1 PHE A 153 -41.558 24.570 14.910 1.00 11.35 C ATOM 1476 CE2 PHE A 153 -39.184 24.310 15.133 1.00 11.40 C ATOM 1477 CZ PHE A 153 -40.365 24.036 14.454 1.00 9.44 C ATOM 1478 H PHE A 153 -39.164 28.634 17.107 1.00 0.00 H ATOM 1479 N ARG A 154 -40.851 28.875 20.001 1.00 9.48 N ATOM 1480 CA ARG A 154 -41.289 29.219 21.349 1.00 11.12 C ATOM 1481 C ARG A 154 -42.338 30.329 21.337 1.00 12.76 C ATOM 1482 O ARG A 154 -43.319 30.271 22.074 1.00 13.45 O ATOM 1483 CB ARG A 154 -40.097 29.632 22.211 1.00 10.75 C ATOM 1484 CG ARG A 154 -40.455 29.907 23.668 1.00 15.67 C ATOM 1485 CD ARG A 154 -39.214 30.210 24.508 1.00 14.72 C ATOM 1486 NE ARG A 154 -38.438 31.333 23.982 1.00 13.82 N ATOM 1487 CZ ARG A 154 -38.711 32.615 24.213 1.00 18.89 C ATOM 1488 NH1 ARG A 154 -39.752 32.956 24.961 1.00 19.27 N ATOM 1489 NH2 ARG A 154 -37.945 33.563 23.690 1.00 18.98 N ATOM 1490 HE ARG A 154 -37.615 31.114 23.385 1.00 0.00 H ATOM 1491 HH12 ARG A 154 -39.959 33.960 25.137 1.00 0.00 H ATOM 1492 HH11 ARG A 154 -40.361 32.220 25.371 1.00 0.00 H ATOM 1493 HH22 ARG A 154 -38.160 34.564 23.872 1.00 0.00 H ATOM 1494 HH21 ARG A 154 -37.130 33.305 23.098 1.00 0.00 H ATOM 1495 H ARG A 154 -39.873 29.080 19.712 1.00 0.00 H ATOM 1496 N THR A 155 -42.122 31.336 20.493 1.00 10.31 N ATOM 1497 CA THR A 155 -42.948 32.551 20.514 1.00 12.39 C ATOM 1498 C THR A 155 -43.970 32.698 19.397 1.00 12.75 C ATOM 1499 O THR A 155 -44.938 33.444 19.543 1.00 13.28 O ATOM 1500 CB THR A 155 -42.071 33.823 20.481 1.00 12.57 C ATOM 1501 OG1 THR A 155 -41.435 33.928 19.196 1.00 12.59 O ATOM 1502 CG2 THR A 155 -41.007 33.777 21.580 1.00 13.99 C ATOM 1503 HG1 THR A 155 -40.869 33.130 19.043 1.00 0.00 H ATOM 1504 H THR A 155 -41.349 31.261 19.801 1.00 0.00 H ATOM 1505 N GLY A 156 -43.743 32.031 18.268 1.00 9.93 N ATOM 1506 CA GLY A 156 -44.611 32.181 17.118 1.00 12.93 C ATOM 1507 C GLY A 156 -44.495 33.567 16.507 1.00 11.84 C ATOM 1508 O GLY A 156 -45.412 34.030 15.818 1.00 12.04 O ATOM 1509 H GLY A 156 -42.926 31.390 18.210 1.00 0.00 H ATOM 1510 N THR A 157 -43.371 34.232 16.776 1.00 10.62 N ATOM 1511 CA THR A 157 -43.084 35.549 16.220 1.00 9.72 C ATOM 1512 C THR A 157 -41.733 35.535 15.528 1.00 8.86 C ATOM 1513 O THR A 157 -40.954 34.602 15.688 1.00 10.24 O ATOM 1514 CB THR A 157 -42.995 36.636 17.303 1.00 12.60 C ATOM 1515 OG1 THR A 157 -41.754 36.508 18.016 1.00 16.50 O ATOM 1516 CG2 THR A 157 -44.169 36.548 18.275 1.00 14.37 C ATOM 1517 HG1 THR A 157 -41.710 35.615 18.442 1.00 0.00 H ATOM 1518 H THR A 157 -42.671 33.794 17.408 1.00 0.00 H ATOM 1519 N TRP A 158 -41.456 36.598 14.783 1.00 9.70 N ATOM 1520 CA TRP A 158 -40.190 36.729 14.078 1.00 10.07 C ATOM 1521 C TRP A 158 -39.134 37.497 14.871 1.00 10.93 C ATOM 1522 O TRP A 158 -38.161 37.979 14.295 1.00 11.96 O ATOM 1523 CB TRP A 158 -40.421 37.441 12.749 1.00 9.24 C ATOM 1524 CG TRP A 158 -41.195 36.637 11.767 1.00 10.09 C ATOM 1525 CD1 TRP A 158 -42.469 36.867 11.329 1.00 11.45 C ATOM 1526 CD2 TRP A 158 -40.740 35.463 11.090 1.00 12.55 C ATOM 1527 NE1 TRP A 158 -42.832 35.907 10.409 1.00 12.07 N ATOM 1528 CE2 TRP A 158 -41.787 35.035 10.245 1.00 10.70 C ATOM 1529 CE3 TRP A 158 -39.545 34.732 11.114 1.00 12.81 C ATOM 1530 CZ2 TRP A 158 -41.677 33.905 9.434 1.00 13.21 C ATOM 1531 CZ3 TRP A 158 -39.435 33.612 10.304 1.00 13.07 C ATOM 1532 CH2 TRP A 158 -40.496 33.211 9.474 1.00 12.47 C ATOM 1533 HE1 TRP A 158 -43.748 35.853 9.920 1.00 0.00 H ATOM 1534 H TRP A 158 -42.162 37.357 14.701 1.00 0.00 H ATOM 1535 N ASP A 159 -39.309 37.595 16.184 1.00 12.62 N ATOM 1536 CA ASP A 159 -38.403 38.404 17.004 1.00 13.17 C ATOM 1537 C ASP A 159 -36.917 38.063 16.842 1.00 13.84 C ATOM 1538 O ASP A 159 -36.064 38.955 16.892 1.00 15.25 O ATOM 1539 CB ASP A 159 -38.796 38.346 18.480 1.00 17.55 C ATOM 1540 CG ASP A 159 -40.106 39.059 18.765 1.00 30.10 C ATOM 1541 OD1 ASP A 159 -40.637 39.729 17.853 1.00 30.75 O ATOM 1542 OD2 ASP A 159 -40.600 38.954 19.908 1.00 34.89 O ATOM 1543 H ASP A 159 -40.099 37.091 16.636 1.00 0.00 H ATOM 1544 N ALA A 160 -36.605 36.784 16.651 1.00 10.55 N ATOM 1545 CA ALA A 160 -35.210 36.362 16.528 1.00 11.70 C ATOM 1546 C ALA A 160 -34.565 36.782 15.210 1.00 12.05 C ATOM 1547 O ALA A 160 -33.341 36.760 15.091 1.00 17.80 O ATOM 1548 CB ALA A 160 -35.092 34.852 16.705 1.00 13.89 C ATOM 1549 H ALA A 160 -37.363 36.075 16.588 1.00 0.00 H ATOM 1550 N TYR A 161 -35.382 37.122 14.219 1.00 11.17 N ATOM 1551 CA TYR A 161 -34.870 37.429 12.887 1.00 11.67 C ATOM 1552 C TYR A 161 -34.891 38.923 12.586 1.00 23.14 C ATOM 1553 O TYR A 161 -34.230 39.388 11.657 1.00 24.57 O ATOM 1554 CB TYR A 161 -35.644 36.618 11.826 1.00 13.05 C ATOM 1555 CG TYR A 161 -35.238 35.185 11.781 1.00 11.75 C ATOM 1556 CD1 TYR A 161 -35.834 34.267 12.567 1.00 10.31 C ATOM 1557 CD2 TYR A 161 -34.185 34.762 11.008 1.00 10.79 C ATOM 1558 CE1 TYR A 161 -35.441 32.998 12.583 1.00 10.15 C ATOM 1559 CE2 TYR A 161 -33.820 33.491 10.992 1.00 8.54 C ATOM 1560 CZ TYR A 161 -34.452 32.593 11.795 1.00 10.63 C ATOM 1561 OH TYR A 161 -34.063 31.340 11.816 1.00 10.16 O ATOM 1562 HH TYR A 161 -34.152 30.953 10.909 1.00 0.00 H ATOM 1563 H TYR A 161 -36.406 37.170 14.396 1.00 0.00 H ATOM 1564 N LYS A 162 -35.654 39.670 13.375 1.00 18.76 N ATOM 1565 CA LYS A 162 -35.774 41.120 13.177 1.00 28.68 C ATOM 1566 C LYS A 162 -34.492 41.988 13.235 1.00 32.19 C ATOM 1567 O LYS A 162 -34.315 42.893 12.496 1.00 43.29 O ATOM 1568 CB LYS A 162 -36.943 41.667 13.970 1.00 27.64 C ATOM 1569 CG LYS A 162 -38.225 41.151 13.361 1.00 23.24 C ATOM 1570 H LYS A 162 -36.179 39.218 14.151 1.00 0.00 H ATOM 1571 N ASN A 163 -33.534 41.613 14.000 1.00 32.54 N ATOM 1572 CA ASN A 163 -32.196 42.186 13.923 1.00 45.43 C ATOM 1573 C ASN A 163 -31.249 41.327 13.092 1.00 46.04 C ATOM 1574 O ASN A 163 -30.042 41.305 13.333 1.00 44.29 O ATOM 1575 CB ASN A 163 -31.622 42.396 15.325 1.00 36.60 C ATOM 1576 H ASN A 163 -33.719 40.870 14.704 1.00 0.00 H ATOM 1577 N LEU A 164 -31.804 40.621 12.112 1.00 48.07 N ATOM 1578 CA LEU A 164 -31.011 39.759 11.244 1.00 35.76 C ATOM 1579 C LEU A 164 -29.988 38.961 12.045 1.00 44.07 C ATOM 1580 O LEU A 164 -30.302 37.904 12.593 1.00 41.08 O ATOM 1581 CB LEU A 164 -30.306 40.587 10.167 1.00 43.67 C ATOM 1582 CG LEU A 164 -31.072 40.789 8.858 1.00 27.58 C ATOM 1583 CD1 LEU A 164 -32.147 41.852 9.022 1.00 45.06 C ATOM 1584 CD2 LEU A 164 -30.120 41.154 7.729 1.00 44.44 C ATOM 1585 H LEU A 164 -32.831 40.685 11.960 1.00 0.00 H TER 1586 LEU A 164 HETATM 1587 O HOH 1 -34.362 35.184 -9.338 1.00 29.71 O HETATM 1588 O HOH 2 -18.149 22.462 -15.107 1.00 31.41 O HETATM 1589 O HOH 3 -39.816 41.907 2.859 1.00 23.66 O HETATM 1590 O HOH 4 -36.219 31.310 -9.060 1.00 28.71 O HETATM 1591 O HOH 5 -30.620 28.583 24.397 1.00 31.51 O HETATM 1592 O HOH 6 -34.099 23.353 -12.553 1.00 15.18 O HETATM 1593 O HOH 7 -26.468 16.921 -5.566 1.00 29.21 O HETATM 1594 O HOH 8 -42.181 31.630 26.535 1.00 23.36 O HETATM 1595 O HOH 9 -34.164 32.527 -10.281 1.00 22.36 O HETATM 1596 O HOH 10 -28.769 26.082 -17.291 1.00 30.13 O HETATM 1597 O HOH 11 -47.834 32.738 15.129 1.00 17.22 O HETATM 1598 O HOH 12 -19.074 18.620 11.546 1.00 32.34 O HETATM 1599 O HOH 13 -30.057 15.582 14.109 1.00 28.89 O HETATM 1600 O HOH 14 -37.019 13.690 20.945 1.00 24.16 O HETATM 1601 O HOH 15 -52.801 17.830 12.952 1.00 27.27 O HETATM 1602 O HOH 16 -37.521 24.160 -11.669 1.00 18.73 O HETATM 1603 O HOH 17 -39.630 38.331 0.571 1.00 17.55 O HETATM 1604 O HOH 18 -45.255 31.315 23.652 1.00 18.50 O HETATM 1605 O HOH 19 -16.073 17.146 -12.212 1.00 32.65 O HETATM 1606 O HOH 20 -17.355 20.824 10.433 1.00 17.08 O HETATM 1607 O HOH 21 -18.944 16.798 9.498 1.00 32.21 O HETATM 1608 O HOH 22 -41.927 26.992 -6.394 1.00 32.12 O HETATM 1609 O HOH 23 -32.266 13.250 15.106 1.00 28.41 O HETATM 1610 O HOH 24 -28.680 19.090 -6.614 1.00 32.17 O HETATM 1611 O HOH 25 -19.864 24.661 15.147 1.00 16.99 O HETATM 1612 O HOH 26 -29.827 23.050 -19.674 1.00 30.33 O HETATM 1613 O HOH 27 -31.351 14.628 23.772 1.00 22.60 O HETATM 1614 O HOH 28 -35.710 31.745 -4.377 1.00 10.57 O HETATM 1615 O HOH 29 -41.729 27.937 31.326 1.00 27.93 O HETATM 1616 O HOH 30 -22.313 24.985 21.209 1.00 13.88 O HETATM 1617 O HOH 31 -46.819 36.187 14.777 1.00 18.39 O HETATM 1618 O HOH 32 -49.835 25.055 26.137 1.00 21.05 O HETATM 1619 O HOH 33 -52.454 21.104 18.045 1.00 18.63 O HETATM 1620 O HOH 34 -25.249 22.530 25.461 1.00 35.18 O HETATM 1621 O HOH 35 -41.203 30.613 -4.588 1.00 16.75 O HETATM 1622 O HOH 36 -15.740 29.259 -1.821 1.00 31.15 O HETATM 1623 O HOH 37 -16.871 27.754 3.706 1.00 28.06 O HETATM 1624 O HOH 38 -40.100 41.383 6.657 1.00 33.88 O HETATM 1625 O HOH 39 -31.961 21.320 -10.248 1.00 11.44 O HETATM 1626 O HOH 40 -27.531 19.984 24.630 1.00 28.92 O HETATM 1627 O HOH 41 -31.678 24.476 -12.537 1.00 22.75 O HETATM 1628 O HOH 42 -21.796 27.472 -18.913 1.00 25.60 O HETATM 1629 O HOH 43 -32.772 21.892 -6.155 1.00 19.10 O HETATM 1630 O HOH 44 -14.515 18.670 4.475 1.00 31.13 O HETATM 1631 O HOH 45 -16.790 25.105 6.390 1.00 17.43 O HETATM 1632 O HOH 46 -41.477 40.081 4.538 1.00 32.87 O HETATM 1633 O HOH 47 -29.885 18.203 -15.716 1.00 11.89 O HETATM 1634 O HOH 48 -41.263 8.940 22.715 1.00 27.54 O HETATM 1635 O HOH 49 -45.415 35.125 21.855 1.00 27.29 O HETATM 1636 O HOH 50 -24.860 20.022 -17.368 1.00 30.99 O HETATM 1637 O HOH 51 -19.857 21.328 13.180 1.00 27.75 O HETATM 1638 O HOH 52 -54.424 22.864 9.389 1.00 23.59 O HETATM 1639 O HOH 53 -47.551 34.487 18.780 1.00 29.33 O HETATM 1640 O HOH 54 -18.432 18.439 -14.207 1.00 33.94 O HETATM 1641 O HOH 55 -43.492 38.677 14.430 1.00 15.78 O HETATM 1642 O HOH 56 -19.143 16.724 14.762 1.00 32.36 O HETATM 1643 O HOH 57 -53.658 22.901 16.286 1.00 12.78 O HETATM 1644 O HOH 58 -25.357 28.753 14.056 1.00 13.15 O HETATM 1645 O HOH 59 -36.936 18.071 27.608 1.00 24.42 O HETATM 1646 O HOH 60 -23.686 12.712 -1.244 1.00 33.30 O HETATM 1647 O HOH 61 -21.580 15.035 17.309 1.00 32.34 O HETATM 1648 O HOH 62 -45.286 25.524 30.794 1.00 19.41 O HETATM 1649 O HOH 63 -45.034 29.716 25.933 1.00 19.89 O HETATM 1650 O HOH 64 -27.091 17.211 13.626 1.00 32.71 O HETATM 1651 O HOH 65 -34.736 20.128 -4.895 1.00 31.55 O HETATM 1652 O HOH 66 -35.124 36.009 0.502 1.00 21.78 O HETATM 1653 O HOH 67 -53.247 22.631 22.874 1.00 39.22 O HETATM 1654 O HOH 68 -54.243 26.588 8.894 1.00 34.67 O HETATM 1655 O HOH 69 -26.798 35.540 6.150 1.00 25.89 O HETATM 1656 O HOH 70 -26.933 30.352 10.332 1.00 19.50 O HETATM 1657 O HOH 71 -26.571 26.763 9.699 1.00 28.14 O HETATM 1658 O HOH 72 -32.826 24.729 11.426 1.00 10.06 O HETATM 1659 O HOH 73 -24.345 30.676 1.434 1.00 20.87 O HETATM 1660 O HOH 74 -25.097 27.853 3.798 1.00 9.30 O HETATM 1661 O HOH 75 -25.072 36.933 -10.361 1.00 23.20 O HETATM 1662 O HOH 76 -15.037 27.631 -5.004 1.00 26.90 O HETATM 1663 O HOH 77 -25.035 22.127 2.855 1.00 16.91 O HETATM 1664 O HOH 78 -18.794 17.261 0.335 1.00 16.07 O HETATM 1665 O HOH 79 -29.298 27.982 -3.731 1.00 9.81 O HETATM 1666 O HOH 80 -30.871 26.414 -2.015 1.00 10.34 O HETATM 1667 O HOH 81 -27.588 23.241 3.320 1.00 29.32 O HETATM 1668 O HOH 82 -19.257 22.868 -11.923 1.00 16.68 O HETATM 1669 O HOH 83 -29.114 28.788 -16.003 1.00 26.36 O HETATM 1670 O HOH 84 -20.218 29.611 -14.614 1.00 19.24 O HETATM 1671 O HOH 85 -21.481 31.831 -13.828 1.00 26.01 O HETATM 1672 O HOH 86 -23.197 32.779 -16.297 1.00 37.71 O HETATM 1673 O HOH 87 -28.433 36.606 -11.800 1.00 22.87 O HETATM 1674 O HOH 88 -34.694 20.759 0.538 1.00 20.50 O HETATM 1675 O HOH 89 -39.424 16.490 -1.268 1.00 29.60 O HETATM 1676 O HOH 90 -35.170 19.031 3.189 1.00 24.47 O HETATM 1677 O HOH 91 -41.249 12.738 3.128 1.00 26.57 O HETATM 1678 O HOH 92 -44.078 8.581 6.271 1.00 32.46 O HETATM 1679 O HOH 93 -45.924 12.864 14.820 1.00 23.19 O HETATM 1680 O HOH 94 -49.193 22.685 17.303 1.00 13.29 O HETATM 1681 O HOH 95 -26.160 21.625 13.365 1.00 19.07 O HETATM 1682 O HOH 96 -24.182 21.479 11.519 1.00 25.35 O HETATM 1683 O HOH 97 -38.204 27.484 26.910 1.00 23.65 O HETATM 1684 O HOH 98 -38.834 19.897 27.809 1.00 17.94 O HETATM 1685 O HOH 99 -34.183 26.343 24.477 1.00 14.90 O HETATM 1686 O HOH 100 -32.384 22.634 26.991 1.00 17.09 O HETATM 1687 O HOH 101 -29.187 33.338 17.981 1.00 14.92 O HETATM 1688 O HOH 102 -29.135 35.533 16.101 1.00 13.85 O HETATM 1689 O HOH 103 -33.821 30.259 21.860 1.00 16.29 O HETATM 1690 O HOH 104 -36.317 30.244 23.132 1.00 25.29 O HETATM 1691 O HOH 105 -31.408 36.820 16.954 1.00 20.94 O HETATM 1692 O HOH 106 -38.237 34.436 15.911 1.00 13.69 O HETATM 1693 O HOH 107 -33.285 37.701 4.213 1.00 21.40 O HETATM 1694 O HOH 108 -23.465 35.108 2.612 1.00 25.21 O HETATM 1695 O HOH 109 -27.766 21.743 5.563 1.00 34.32 O HETATM 1696 O HOH 110 -18.072 30.828 -2.086 1.00 29.95 O HETATM 1697 O HOH 111 -11.560 16.284 -6.706 1.00 31.41 O HETATM 1698 O HOH 112 -28.575 33.209 -14.799 1.00 30.64 O HETATM 1699 O HOH 113 -33.435 34.179 20.449 1.00 27.18 O HETATM 1700 O HOH 114 -40.648 35.832 25.083 1.00 41.88 O HETATM 1701 O HOH 115 -15.693 27.180 -7.366 1.00 31.62 O HETATM 1702 O HOH 116 -50.204 11.030 9.318 1.00 32.94 O HETATM 1703 O HOH 117 -27.731 16.320 6.279 1.00 44.92 O HETATM 1704 O HOH 118 -16.975 16.457 6.191 1.00 36.12 O HETATM 1705 O HOH 119 -11.246 16.990 -3.964 1.00 34.75 O HETATM 1706 O HOH 120 -11.607 20.382 -9.613 1.00 42.78 O HETATM 1707 O HOH 121 -12.265 25.024 -8.334 1.00 41.98 O HETATM 1708 O HOH 122 -22.797 24.184 -20.877 1.00 36.92 O HETATM 1709 O HOH 123 -26.326 31.539 -16.418 1.00 29.18 O HETATM 1710 O HOH 124 -41.808 9.891 3.854 1.00 38.19 O HETATM 1711 O HOH 125 -48.365 12.094 5.150 1.00 32.12 O HETATM 1712 O HOH 126 -27.701 19.464 12.732 1.00 29.20 O HETATM 1713 O HOH 127 -33.633 13.333 4.477 1.00 34.75 O HETATM 1714 O HOH 128 -44.132 12.528 18.400 1.00 19.41 O HETATM 1715 O HOH 129 -27.344 33.985 19.698 1.00 30.76 O HETATM 1716 O HOH 130 -21.410 34.522 -10.469 1.00 29.25 O HETATM 1717 O HOH 131 -16.218 17.647 1.749 1.00 20.62 O HETATM 1718 O HOH 132 -41.523 14.555 -1.395 1.00 37.37 O HETATM 1719 O HOH 133 -40.780 10.669 14.888 1.00 37.50 O HETATM 1720 O HOH 134 -25.946 22.001 9.391 1.00 19.14 O HETATM 1721 O HOH 135 -26.566 19.343 10.217 1.00 31.84 O HETATM 1722 O HOH 136 -30.144 37.880 -1.578 1.00 20.78 O HETATM 1723 O HOH 137 -33.560 19.865 -2.341 1.00 38.12 O HETATM 1724 O HOH 138 -25.449 28.471 7.661 1.00 23.66 O HETATM 1725 O HOH 139 -20.393 34.803 -3.754 1.00 14.97 O HETATM 1726 O HOH 140 -38.798 10.132 8.937 1.00 29.60 O HETATM 1727 O HOH 141 -53.032 16.501 9.013 1.00 28.27 O HETATM 1728 C1 N A 4 -40.579 19.963 12.379 1.00 -0.04 C HETATM 1729 C2 N A 4 -41.141 19.474 11.206 1.00 -0.06 C HETATM 1730 C3 N A 4 -42.523 19.410 11.069 1.00 -0.07 C HETATM 1731 C4 N A 4 -43.349 19.839 12.097 1.00 -0.07 C HETATM 1732 C5 N A 4 -42.788 20.328 13.272 1.00 -0.07 C HETATM 1733 C6 N A 4 -41.401 20.394 13.409 1.00 -0.06 C HETATM 1734 H5 N A 4 -40.965 20.783 14.322 1.00 0.06 H HETATM 1735 H4 N A 4 -43.429 20.658 14.082 1.00 0.06 H HETATM 1736 H3 N A 4 -44.426 19.794 11.985 1.00 0.06 H HETATM 1737 H2 N A 4 -42.957 19.023 10.154 1.00 0.06 H HETATM 1738 H1 N A 4 -40.501 19.142 10.397 1.00 0.06 H HETATM 1739 C1' N A 4 -39.057 20.033 12.526 1.00 -0.02 C HETATM 1740 C2' N A 4 -38.473 18.700 12.995 1.00 -0.04 C HETATM 1741 C3' N A 4 -39.003 18.262 14.363 1.00 -0.05 C HETATM 1742 C4' N A 4 -38.661 19.268 15.469 1.00 -0.07 C HETATM 1743 H12 N A 4 -39.062 18.909 16.428 1.00 0.02 H HETATM 1744 H13 N A 4 -39.107 20.244 15.228 1.00 0.02 H HETATM 1745 H14 N A 4 -37.569 19.373 15.545 1.00 0.02 H HETATM 1746 H10 N A 4 -38.558 17.289 14.620 1.00 0.03 H HETATM 1747 H11 N A 4 -40.097 18.161 14.303 1.00 0.03 H HETATM 1748 H8 N A 4 -37.379 18.799 13.059 1.00 0.03 H HETATM 1749 H9 N A 4 -38.728 17.926 12.256 1.00 0.03 H HETATM 1750 H6 N A 4 -38.805 20.811 13.262 1.00 0.04 H HETATM 1751 H7 N A 4 -38.616 20.293 11.552 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1728 1729 1733 1739 CONECT 1729 1728 1730 1738 CONECT 1730 1729 1731 1737 CONECT 1731 1730 1732 1736 CONECT 1732 1731 1733 1735 CONECT 1733 1728 1732 1734 CONECT 1734 1733 CONECT 1735 1732 CONECT 1736 1731 CONECT 1737 1730 CONECT 1738 1729 CONECT 1739 1728 1740 1750 1751 CONECT 1740 1739 1741 1748 1749 CONECT 1741 1740 1742 1746 1747 CONECT 1742 1741 1743 1744 1745 CONECT 1743 1742 CONECT 1744 1742 CONECT 1745 1742 CONECT 1746 1741 CONECT 1747 1741 CONECT 1748 1740 CONECT 1749 1740 CONECT 1750 1739 CONECT 1751 1739 MASTER 0 0 0 0 0 0 0 0 1750 1 28 13 END
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Structure:
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Related entries of code: 4w57
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
184l
RCSB PDB
PDBbind
164aa, >184L_1|Chain... at 96%
185l
RCSB PDB
PDBbind
164aa, >185L_1|Chain... at 96%
186l
RCSB PDB
PDBbind
164aa, >186L_1|Chain... at 96%
187l
RCSB PDB
PDBbind
164aa, >187L_1|Chain... at 96%
188l
RCSB PDB
PDBbind
164aa, >188L_1|Chain... at 96%
1l83
RCSB PDB
PDBbind
164aa, >1L83_1|Chain... at 96%
1lgw
RCSB PDB
PDBbind
164aa, >1LGW_1|Chain... at 95%
1li2
RCSB PDB
PDBbind
164aa, >1LI2_1|Chain... at 95%
1li3
RCSB PDB
PDBbind
164aa, >1LI3_1|Chain... at 95%
1li6
RCSB PDB
PDBbind
164aa, >1LI6_1|Chain... at 95%
220l
RCSB PDB
PDBbind
164aa, >220L_1|Chain... at 96%
223l
RCSB PDB
PDBbind
164aa, >223L_1|Chain... at 95%
3run
RCSB PDB
PDBbind
168aa, >3RUN_1|Chain... at 95%
4w52
RCSB PDB
PDBbind
172aa, >4W52_1|Chain... at 94%
4w53
RCSB PDB
PDBbind
172aa, >4W53_1|Chain... at 94%
4w54
RCSB PDB
PDBbind
172aa, >4W54_1|Chain... at 94%
4w55
RCSB PDB
PDBbind
172aa, >4W55_1|Chain... at 94%
6ajj
RCSB PDB
PDBbind
943aa, >6AJJ_1|Chain... at 100%
6aji
RCSB PDB
PDBbind
943aa, >6AJI_1|Chain... at 100%
6ajh
RCSB PDB
PDBbind
943aa, >6AJH_1|Chain... at 100%
6ajg
RCSB PDB
PDBbind
943aa, >6AJG_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
186l
RCSB PDB
PDBbind
N4B
Entry Information
PDB ID
4w57
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
T4 Lysozyme L99A
Ligand Name
N4B
EC.Number
E.C.3.2.1.17
Resolution
1.68(Å)
Affinity (Kd/Ki/IC50)
Kd=14uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Proc.Natl.Acad.Sci.USA Vol. 112: pp. 5039-5044
Ligand Properties
Formula
C
1
0
H
1
4
Molecular Weight
134.218
Exact Mass
134.110
No. of atoms
24
No. of bonds
24
Polar Surface Area
0
LOGP Value
3.80 (
Computed with XLOGP3
)
3.03 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 0
No. of Rings: 1
Canonical SMILES
CCCCc1ccccc1
InChI String
InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
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):
P00720
Entrez Gene ID
NCBI Entrez Gene ID:
1258585
ASD
Information of known allosteric effects of PDB entries
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