Browse entries in the PDBbind-CN Database
HEADER 6DN5_COMPLEX COMPND 6DN5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 194 PRO GLU GLY LEU GLU GLU LEU LEU SER ALA PRO PRO PRO SEQRES 2 A 194 ASP LEU GLY ALA GLN ARG ARG HIS GLY TRP ASN PRO LYS SEQRES 3 A 194 ASP CYS SER GLU ASN ILE GLU VAL LYS GLU GLY GLY LEU SEQRES 4 A 194 TYR PHE GLU ARG ARG PRO VAL ALA GLN SER THR ASP GLY SEQRES 5 A 194 ALA ARG GLY LYS ARG GLY TYR SER ARG GLY LEU HIS ALA SEQRES 6 A 194 TRP GLU ILE SER TRP PRO LEU GLU GLN ARG GLY THR HIS SEQRES 7 A 194 ALA VAL VAL GLY VAL ALA THR ALA LEU ALA PRO LEU GLN SEQRES 8 A 194 THR ASP HIS TYR ALA ALA LEU LEU GLY SER ASN SER GLU SEQRES 9 A 194 SER TRP GLY TRP ASP ILE GLY ARG GLY LYS LEU TYR HIS SEQRES 10 A 194 GLN SER LYS GLY PRO GLY ALA PRO GLN TYR PRO ALA GLY SEQRES 11 A 194 THR GLN GLY GLU GLN LEU GLU VAL PRO GLU ARG LEU LEU SEQRES 12 A 194 VAL VAL LEU ASP MET GLU GLU GLY THR LEU GLY TYR ALA SEQRES 13 A 194 ILE GLY GLY THR TYR LEU GLY PRO ALA PHE ARG GLY LEU SEQRES 14 A 194 LYS GLY ARG THR LEU TYR PRO ALA VAL SER ALA VAL TRP SEQRES 15 A 194 GLY GLN CYS GLN VAL ARG ILE ARG TYR LEU GLY GLU HET TRP A 298 106 ATOM 1 N PRO A 26 -2.131 66.421 113.967 1.00 34.51 N ATOM 2 CA PRO A 26 -2.721 65.647 115.035 1.00 34.50 C ATOM 3 C PRO A 26 -2.687 64.126 114.912 1.00 38.49 C ATOM 4 O PRO A 26 -2.974 63.519 115.931 1.00 39.46 O ATOM 5 CB PRO A 26 -4.131 66.217 115.085 1.00 35.97 C ATOM 6 CG PRO A 26 -3.840 67.688 114.947 1.00 39.81 C ATOM 7 CD PRO A 26 -2.518 67.824 114.170 1.00 35.44 C ATOM 8 HN2 PRO A 26 -2.484 66.085 113.048 1.00 0.00 H ATOM 9 HN1 PRO A 26 -1.095 66.331 113.994 1.00 0.00 H ATOM 10 N GLU A 27 -2.296 63.502 113.778 1.00 34.11 N ATOM 11 CA GLU A 27 -2.207 62.027 113.753 1.00 34.35 C ATOM 12 C GLU A 27 -1.034 61.548 114.624 1.00 36.36 C ATOM 13 O GLU A 27 -1.239 60.741 115.540 1.00 37.32 O ATOM 14 CB GLU A 27 -2.120 61.456 112.330 1.00 36.68 C ATOM 15 H GLU A 27 -2.060 64.056 112.930 1.00 0.00 H ATOM 16 N GLY A 28 0.150 62.116 114.390 1.00 29.67 N ATOM 17 CA GLY A 28 1.364 61.829 115.160 1.00 27.57 C ATOM 18 C GLY A 28 1.260 62.298 116.598 1.00 27.73 C ATOM 19 O GLY A 28 1.811 61.662 117.496 1.00 27.06 O ATOM 20 H GLY A 28 0.216 62.805 113.614 1.00 0.00 H ATOM 21 N LEU A 29 0.543 63.418 116.824 1.00 22.76 N ATOM 22 CA LEU A 29 0.281 63.989 118.144 1.00 21.78 C ATOM 23 C LEU A 29 -0.671 63.083 118.930 1.00 26.15 C ATOM 24 O LEU A 29 -0.383 62.758 120.086 1.00 26.86 O ATOM 25 CB LEU A 29 -0.252 65.441 118.044 1.00 21.02 C ATOM 26 CG LEU A 29 -0.402 66.198 119.375 1.00 24.69 C ATOM 27 CD1 LEU A 29 0.939 66.264 120.164 1.00 22.43 C ATOM 28 CD2 LEU A 29 -0.984 67.597 119.143 1.00 28.36 C ATOM 29 H LEU A 29 0.147 63.912 115.998 1.00 0.00 H ATOM 30 N GLU A 30 -1.760 62.633 118.282 1.00 22.96 N ATOM 31 CA GLU A 30 -2.758 61.707 118.829 1.00 24.17 C ATOM 32 C GLU A 30 -2.037 60.406 119.272 1.00 28.44 C ATOM 33 O GLU A 30 -2.269 59.949 120.394 1.00 27.51 O ATOM 34 CB GLU A 30 -3.865 61.422 117.794 1.00 26.35 C ATOM 35 CG GLU A 30 -5.154 60.854 118.374 1.00 46.40 C ATOM 36 CD GLU A 30 -5.277 59.342 118.509 1.00 77.84 C ATOM 37 OE1 GLU A 30 -6.380 58.878 118.884 1.00 79.25 O ATOM 38 OE2 GLU A 30 -4.289 58.619 118.238 1.00 67.89 O ATOM 39 H GLU A 30 -1.908 62.970 117.309 1.00 0.00 H ATOM 40 N GLU A 31 -1.114 59.861 118.429 1.00 24.53 N ATOM 41 CA GLU A 31 -0.311 58.674 118.792 1.00 24.92 C ATOM 42 C GLU A 31 0.613 58.950 120.018 1.00 27.28 C ATOM 43 O GLU A 31 0.674 58.115 120.909 1.00 27.01 O ATOM 44 CB GLU A 31 0.462 58.119 117.581 1.00 27.29 C ATOM 45 CG GLU A 31 -0.468 57.455 116.565 1.00 46.76 C ATOM 46 CD GLU A 31 -0.008 57.361 115.117 1.00 78.13 C ATOM 47 OE1 GLU A 31 0.399 58.400 114.544 1.00 81.81 O ATOM 48 OE2 GLU A 31 -0.135 56.261 114.530 1.00 68.80 O ATOM 49 H GLU A 31 -0.970 60.297 117.496 1.00 0.00 H ATOM 50 N LEU A 32 1.233 60.159 120.107 1.00 22.91 N ATOM 51 CA LEU A 32 2.067 60.582 121.236 1.00 22.36 C ATOM 52 C LEU A 32 1.226 60.665 122.536 1.00 28.01 C ATOM 53 O LEU A 32 1.650 60.134 123.571 1.00 28.87 O ATOM 54 CB LEU A 32 2.728 61.964 120.945 1.00 21.41 C ATOM 55 CG LEU A 32 3.801 62.492 121.955 1.00 25.04 C ATOM 56 CD1 LEU A 32 4.806 63.381 121.265 1.00 25.41 C ATOM 57 CD2 LEU A 32 3.182 63.322 123.062 1.00 23.79 C ATOM 58 H LEU A 32 1.106 60.828 119.321 1.00 0.00 H ATOM 59 N LEU A 33 0.077 61.380 122.487 1.00 23.15 N ATOM 60 CA LEU A 33 -0.804 61.593 123.637 1.00 22.27 C ATOM 61 C LEU A 33 -1.572 60.347 124.053 1.00 29.89 C ATOM 62 O LEU A 33 -1.894 60.231 125.232 1.00 30.97 O ATOM 63 CB LEU A 33 -1.751 62.786 123.433 1.00 20.99 C ATOM 64 CG LEU A 33 -1.081 64.153 123.273 1.00 23.55 C ATOM 65 CD1 LEU A 33 -2.064 65.173 122.765 1.00 22.21 C ATOM 66 CD2 LEU A 33 -0.397 64.635 124.583 1.00 22.62 C ATOM 67 H LEU A 33 -0.196 61.804 121.577 1.00 0.00 H ATOM 68 N SER A 34 -1.818 59.402 123.120 1.00 29.09 N ATOM 69 CA SER A 34 -2.511 58.128 123.403 1.00 30.94 C ATOM 70 C SER A 34 -1.639 57.149 124.209 1.00 35.91 C ATOM 71 O SER A 34 -2.162 56.359 124.999 1.00 37.45 O ATOM 72 CB SER A 34 -2.962 57.454 122.113 1.00 34.71 C ATOM 73 OG SER A 34 -4.030 58.205 121.564 1.00 49.91 O ATOM 74 HG SER A 34 -3.721 59.126 121.375 1.00 0.00 H ATOM 75 H SER A 34 -1.501 59.581 122.146 1.00 0.00 H ATOM 76 N ALA A 35 -0.332 57.190 123.979 1.00 31.44 N ATOM 77 CA ALA A 35 0.674 56.365 124.652 1.00 32.66 C ATOM 78 C ALA A 35 0.653 56.567 126.202 1.00 35.60 C ATOM 79 O ALA A 35 0.231 57.633 126.654 1.00 32.97 O ATOM 80 CB ALA A 35 2.058 56.729 124.106 1.00 32.84 C ATOM 81 H ALA A 35 0.005 57.863 123.262 1.00 0.00 H ATOM 82 N PRO A 36 1.093 55.590 127.039 1.00 34.56 N ATOM 83 CA PRO A 36 1.141 55.857 128.499 1.00 35.04 C ATOM 84 C PRO A 36 2.058 57.070 128.761 1.00 38.64 C ATOM 85 O PRO A 36 3.016 57.269 127.997 1.00 39.48 O ATOM 86 CB PRO A 36 1.700 54.557 129.097 1.00 36.90 C ATOM 87 CG PRO A 36 2.361 53.871 127.981 1.00 41.76 C ATOM 88 CD PRO A 36 1.634 54.253 126.723 1.00 36.79 C ATOM 89 N PRO A 37 1.753 57.969 129.713 1.00 32.91 N ATOM 90 CA PRO A 37 2.612 59.158 129.849 1.00 31.67 C ATOM 91 C PRO A 37 3.952 58.822 130.480 1.00 35.04 C ATOM 92 O PRO A 37 3.981 57.940 131.349 1.00 36.28 O ATOM 93 CB PRO A 37 1.802 60.127 130.741 1.00 32.97 C ATOM 94 CG PRO A 37 0.503 59.428 131.060 1.00 38.67 C ATOM 95 CD PRO A 37 0.666 57.962 130.714 1.00 34.90 C ATOM 96 N PRO A 38 5.049 59.549 130.116 1.00 27.24 N ATOM 97 CA PRO A 38 6.333 59.344 130.813 1.00 25.69 C ATOM 98 C PRO A 38 6.110 59.415 132.318 1.00 29.44 C ATOM 99 O PRO A 38 5.255 60.152 132.808 1.00 28.81 O ATOM 100 CB PRO A 38 7.169 60.544 130.355 1.00 25.94 C ATOM 101 CG PRO A 38 6.621 60.896 129.027 1.00 28.78 C ATOM 102 CD PRO A 38 5.151 60.631 129.115 1.00 25.24 C ATOM 103 N ASP A 39 6.821 58.590 133.047 1.00 27.77 N ATOM 104 CA ASP A 39 6.696 58.555 134.490 1.00 26.78 C ATOM 105 C ASP A 39 7.453 59.721 135.158 1.00 28.63 C ATOM 106 O ASP A 39 8.143 60.487 134.486 1.00 26.22 O ATOM 107 CB ASP A 39 7.153 57.187 135.007 1.00 28.90 C ATOM 108 CG ASP A 39 8.594 56.770 134.689 1.00 35.63 C ATOM 109 OD1 ASP A 39 9.441 57.664 134.411 1.00 35.14 O ATOM 110 OD2 ASP A 39 8.896 55.576 134.817 1.00 40.55 O ATOM 111 H ASP A 39 7.490 57.946 132.579 1.00 0.00 H ATOM 112 N LEU A 40 7.336 59.812 136.490 1.00 26.46 N ATOM 113 CA LEU A 40 7.973 60.784 137.369 1.00 25.89 C ATOM 114 C LEU A 40 9.471 61.023 137.046 1.00 26.02 C ATOM 115 O LEU A 40 9.900 62.169 137.013 1.00 25.03 O ATOM 116 CB LEU A 40 7.773 60.325 138.821 1.00 27.29 C ATOM 117 CG LEU A 40 8.283 61.239 139.936 1.00 34.39 C ATOM 118 CD1 LEU A 40 7.521 62.579 139.961 1.00 34.76 C ATOM 119 CD2 LEU A 40 8.175 60.542 141.301 1.00 38.02 C ATOM 120 H LEU A 40 6.721 59.109 136.948 1.00 0.00 H ATOM 121 N GLY A 41 10.211 59.958 136.754 1.00 22.26 N ATOM 122 CA GLY A 41 11.633 60.003 136.419 1.00 21.44 C ATOM 123 C GLY A 41 11.888 60.734 135.125 1.00 23.93 C ATOM 124 O GLY A 41 12.740 61.625 135.069 1.00 24.58 O ATOM 125 H GLY A 41 9.746 59.028 136.765 1.00 0.00 H ATOM 126 N ALA A 42 11.100 60.395 134.094 1.00 18.65 N ATOM 127 CA ALA A 42 11.200 60.974 132.771 1.00 17.49 C ATOM 128 C ALA A 42 10.727 62.426 132.775 1.00 20.69 C ATOM 129 O ALA A 42 11.304 63.265 132.081 1.00 19.92 O ATOM 130 CB ALA A 42 10.385 60.148 131.794 1.00 18.42 C ATOM 131 H ALA A 42 10.371 59.671 134.255 1.00 0.00 H ATOM 132 N GLN A 43 9.701 62.730 133.587 1.00 16.07 N ATOM 133 CA GLN A 43 9.141 64.074 133.751 1.00 14.22 C ATOM 134 C GLN A 43 10.145 64.974 134.410 1.00 19.11 C ATOM 135 O GLN A 43 10.158 66.179 134.147 1.00 17.78 O ATOM 136 CB GLN A 43 7.896 64.024 134.632 1.00 15.07 C ATOM 137 CG GLN A 43 6.650 63.545 133.900 1.00 18.71 C ATOM 138 CD GLN A 43 5.508 63.456 134.880 1.00 25.70 C ATOM 139 OE1 GLN A 43 5.016 64.468 135.414 1.00 18.48 O ATOM 140 NE2 GLN A 43 5.106 62.238 135.186 1.00 14.09 N ATOM 141 HE22 GLN A 43 5.539 61.415 134.720 1.00 0.00 H ATOM 142 HE21 GLN A 43 4.356 62.100 135.893 1.00 0.00 H ATOM 143 H GLN A 43 9.274 61.958 134.138 1.00 0.00 H ATOM 144 N ARG A 44 10.976 64.389 135.299 1.00 17.08 N ATOM 145 CA ARG A 44 11.992 65.136 136.030 1.00 16.81 C ATOM 146 C ARG A 44 13.176 65.407 135.145 1.00 22.13 C ATOM 147 O ARG A 44 13.657 66.541 135.108 1.00 22.88 O ATOM 148 CB ARG A 44 12.391 64.416 137.315 1.00 14.34 C ATOM 149 CG ARG A 44 11.420 64.716 138.412 1.00 13.05 C ATOM 150 CD ARG A 44 11.735 63.981 139.667 1.00 22.73 C ATOM 151 NE ARG A 44 10.936 64.498 140.771 1.00 32.65 N ATOM 152 CZ ARG A 44 10.594 63.791 141.839 1.00 49.59 C ATOM 153 NH1 ARG A 44 10.975 62.519 141.953 1.00 33.15 N ATOM 154 NH2 ARG A 44 9.869 64.344 142.801 1.00 37.86 N ATOM 155 HE ARG A 44 10.613 65.485 140.717 1.00 0.00 H ATOM 156 HH12 ARG A 44 10.704 61.968 142.793 1.00 0.00 H ATOM 157 HH11 ARG A 44 11.543 62.077 141.202 1.00 0.00 H ATOM 158 HH22 ARG A 44 9.603 63.786 143.637 1.00 0.00 H ATOM 159 HH21 ARG A 44 9.567 65.336 142.719 1.00 0.00 H ATOM 160 H ARG A 44 10.888 63.367 135.469 1.00 0.00 H ATOM 161 N ARG A 45 13.595 64.395 134.373 1.00 19.25 N ATOM 162 CA ARG A 45 14.715 64.499 133.419 1.00 19.34 C ATOM 163 C ARG A 45 14.420 65.473 132.294 1.00 22.11 C ATOM 164 O ARG A 45 15.341 66.019 131.696 1.00 21.67 O ATOM 165 CB ARG A 45 15.082 63.109 132.861 1.00 18.64 C ATOM 166 CG ARG A 45 15.780 62.275 133.927 1.00 19.84 C ATOM 167 CD ARG A 45 16.398 60.987 133.424 1.00 21.46 C ATOM 168 NE ARG A 45 15.441 60.108 132.745 1.00 16.62 N ATOM 169 CZ ARG A 45 14.671 59.210 133.352 1.00 34.59 C ATOM 170 NH1 ARG A 45 14.699 59.082 134.676 1.00 22.20 N ATOM 171 NH2 ARG A 45 13.851 58.453 132.647 1.00 25.65 N ATOM 172 HE ARG A 45 15.358 60.193 131.712 1.00 0.00 H ATOM 173 HH12 ARG A 45 14.094 58.377 135.143 1.00 0.00 H ATOM 174 HH11 ARG A 45 15.326 59.687 135.244 1.00 0.00 H ATOM 175 HH22 ARG A 45 13.250 57.752 133.125 1.00 0.00 H ATOM 176 HH21 ARG A 45 13.806 58.558 131.613 1.00 0.00 H ATOM 177 H ARG A 45 13.102 63.483 134.451 1.00 0.00 H ATOM 178 N HIS A 46 13.120 65.705 132.024 1.00 17.31 N ATOM 179 CA HIS A 46 12.666 66.603 130.978 1.00 14.91 C ATOM 180 C HIS A 46 12.141 67.894 131.572 1.00 18.56 C ATOM 181 O HIS A 46 11.841 68.833 130.838 1.00 17.96 O ATOM 182 CB HIS A 46 11.645 65.914 130.052 1.00 14.56 C ATOM 183 CG HIS A 46 12.241 64.880 129.137 1.00 17.87 C ATOM 184 ND1 HIS A 46 12.458 65.143 127.794 1.00 19.56 N ATOM 185 CD2 HIS A 46 12.633 63.608 129.396 1.00 19.92 C ATOM 186 CE1 HIS A 46 12.992 64.035 127.289 1.00 19.25 C ATOM 187 NE2 HIS A 46 13.104 63.081 128.212 1.00 19.97 N ATOM 188 H HIS A 46 12.404 65.214 132.596 1.00 0.00 H ATOM 189 N GLY A 47 12.098 67.971 132.893 1.00 15.58 N ATOM 190 CA GLY A 47 11.625 69.175 133.565 1.00 15.25 C ATOM 191 C GLY A 47 12.612 70.329 133.547 1.00 18.07 C ATOM 192 O GLY A 47 13.638 70.279 132.860 1.00 16.85 O ATOM 193 H GLY A 47 12.407 67.157 133.462 1.00 0.00 H ATOM 194 N TRP A 48 12.298 71.380 134.308 1.00 15.68 N ATOM 195 CA TRP A 48 13.125 72.584 134.456 1.00 15.78 C ATOM 196 C TRP A 48 14.510 72.238 135.016 1.00 21.37 C ATOM 197 O TRP A 48 14.653 71.305 135.829 1.00 19.27 O ATOM 198 CB TRP A 48 12.449 73.587 135.393 1.00 14.19 C ATOM 199 CG TRP A 48 11.061 73.976 134.988 1.00 14.68 C ATOM 200 CD1 TRP A 48 9.932 73.870 135.748 1.00 17.73 C ATOM 201 CD2 TRP A 48 10.651 74.558 133.741 1.00 13.78 C ATOM 202 NE1 TRP A 48 8.852 74.398 135.075 1.00 16.19 N ATOM 203 CE2 TRP A 48 9.254 74.789 133.825 1.00 17.39 C ATOM 204 CE3 TRP A 48 11.318 74.885 132.544 1.00 14.25 C ATOM 205 CZ2 TRP A 48 8.519 75.337 132.762 1.00 16.13 C ATOM 206 CZ3 TRP A 48 10.589 75.424 131.492 1.00 14.64 C ATOM 207 CH2 TRP A 48 9.208 75.653 131.609 1.00 15.28 C ATOM 208 HE1 TRP A 48 7.888 74.486 135.454 1.00 0.00 H ATOM 209 H TRP A 48 11.402 71.343 134.835 1.00 0.00 H ATOM 210 N ASN A 49 15.528 72.953 134.521 1.00 18.93 N ATOM 211 CA ASN A 49 16.918 72.733 134.899 1.00 19.81 C ATOM 212 C ASN A 49 17.389 73.672 135.999 1.00 25.58 C ATOM 213 O ASN A 49 17.460 74.885 135.757 1.00 24.93 O ATOM 214 CB ASN A 49 17.801 72.872 133.675 1.00 18.85 C ATOM 215 CG ASN A 49 19.197 72.336 133.812 1.00 23.21 C ATOM 216 OD1 ASN A 49 19.734 72.110 134.902 1.00 20.43 O ATOM 217 ND2 ASN A 49 19.852 72.240 132.688 1.00 7.41 N ATOM 218 HD22 ASN A 49 19.371 72.437 131.787 1.00 0.00 H ATOM 219 HD21 ASN A 49 20.855 71.967 132.693 1.00 0.00 H ATOM 220 H ASN A 49 15.316 73.703 133.832 1.00 0.00 H ATOM 221 N PRO A 50 17.777 73.133 137.187 1.00 23.21 N ATOM 222 CA PRO A 50 18.301 74.018 138.264 1.00 23.58 C ATOM 223 C PRO A 50 19.592 74.711 137.867 1.00 27.70 C ATOM 224 O PRO A 50 19.899 75.765 138.413 1.00 28.53 O ATOM 225 CB PRO A 50 18.555 73.078 139.465 1.00 25.14 C ATOM 226 CG PRO A 50 18.044 71.751 139.089 1.00 29.09 C ATOM 227 CD PRO A 50 17.764 71.714 137.595 1.00 24.62 C ATOM 228 N LYS A 51 20.325 74.125 136.910 1.00 24.11 N ATOM 229 CA LYS A 51 21.610 74.631 136.396 1.00 24.01 C ATOM 230 C LYS A 51 21.473 75.407 135.070 1.00 28.02 C ATOM 231 O LYS A 51 22.483 75.700 134.442 1.00 30.26 O ATOM 232 CB LYS A 51 22.649 73.483 136.251 1.00 26.62 C ATOM 233 CG LYS A 51 22.725 72.477 137.405 1.00 36.30 C ATOM 234 CD LYS A 51 23.801 72.834 138.425 1.00 51.61 C ATOM 235 CE LYS A 51 23.991 71.765 139.490 1.00 64.77 C ATOM 236 NZ LYS A 51 24.448 70.455 138.937 1.00 72.84 N ATOM 237 HZ1 LYS A 51 23.743 70.101 138.259 1.00 0.00 H ATOM 238 HZ2 LYS A 51 25.360 70.583 138.455 1.00 0.00 H ATOM 239 HZ3 LYS A 51 24.558 69.772 139.713 1.00 0.00 H ATOM 240 H LYS A 51 19.958 73.244 136.498 1.00 0.00 H ATOM 241 N ASP A 52 20.246 75.778 134.659 1.00 22.62 N ATOM 242 CA ASP A 52 19.992 76.540 133.435 1.00 21.06 C ATOM 243 C ASP A 52 18.672 77.287 133.539 1.00 24.23 C ATOM 244 O ASP A 52 17.750 77.107 132.731 1.00 21.90 O ATOM 245 CB ASP A 52 20.003 75.626 132.199 1.00 23.48 C ATOM 246 CG ASP A 52 20.175 76.344 130.879 1.00 31.58 C ATOM 247 OD1 ASP A 52 20.511 77.550 130.897 1.00 32.61 O ATOM 248 OD2 ASP A 52 20.024 75.690 129.825 1.00 37.15 O ATOM 249 H ASP A 52 19.431 75.507 135.245 1.00 0.00 H ATOM 250 N CYS A 53 18.580 78.126 134.576 1.00 22.14 N ATOM 251 CA CYS A 53 17.427 78.985 134.846 1.00 20.47 C ATOM 252 C CYS A 53 17.958 80.310 135.433 1.00 21.00 C ATOM 253 O CYS A 53 19.120 80.379 135.817 1.00 18.82 O ATOM 254 CB CYS A 53 16.444 78.287 135.782 1.00 20.57 C ATOM 255 SG CYS A 53 17.054 78.068 137.478 1.00 25.26 S ATOM 256 H CYS A 53 19.383 78.171 135.236 1.00 0.00 H ATOM 257 N SER A 54 17.128 81.350 135.505 1.00 17.41 N ATOM 258 CA SER A 54 17.566 82.634 136.072 1.00 17.34 C ATOM 259 C SER A 54 17.968 82.432 137.523 1.00 24.13 C ATOM 260 O SER A 54 17.376 81.583 138.221 1.00 24.79 O ATOM 261 CB SER A 54 16.443 83.672 135.996 1.00 18.52 C ATOM 262 OG SER A 54 16.519 84.677 136.998 1.00 23.80 O ATOM 263 HG SER A 54 15.765 85.309 136.887 1.00 0.00 H ATOM 264 H SER A 54 16.154 81.252 135.154 1.00 0.00 H ATOM 265 N GLU A 55 18.929 83.268 137.990 1.00 19.43 N ATOM 266 CA GLU A 55 19.436 83.294 139.363 1.00 18.11 C ATOM 267 C GLU A 55 18.302 83.596 140.357 1.00 20.18 C ATOM 268 O GLU A 55 18.484 83.410 141.561 1.00 19.00 O ATOM 269 CB GLU A 55 20.542 84.351 139.496 1.00 19.51 C ATOM 270 CG GLU A 55 20.071 85.751 139.111 1.00 30.10 C ATOM 271 CD GLU A 55 21.051 86.890 139.307 1.00 46.16 C ATOM 272 OE1 GLU A 55 21.776 86.894 140.329 1.00 32.03 O ATOM 273 OE2 GLU A 55 21.047 87.814 138.461 1.00 46.11 O ATOM 274 H GLU A 55 19.339 83.946 137.317 1.00 0.00 H ATOM 275 N ASN A 56 17.147 84.098 139.844 1.00 14.81 N ATOM 276 CA ASN A 56 15.978 84.458 140.648 1.00 13.82 C ATOM 277 C ASN A 56 14.916 83.391 140.654 1.00 16.73 C ATOM 278 O ASN A 56 13.838 83.621 141.175 1.00 16.65 O ATOM 279 CB ASN A 56 15.394 85.793 140.197 1.00 10.22 C ATOM 280 CG ASN A 56 16.387 86.916 140.262 1.00 27.55 C ATOM 281 OD1 ASN A 56 17.110 87.088 141.245 1.00 25.32 O ATOM 282 ND2 ASN A 56 16.446 87.706 139.218 1.00 19.92 N ATOM 283 HD22 ASN A 56 15.824 87.537 138.402 1.00 0.00 H ATOM 284 HD21 ASN A 56 17.115 88.502 139.205 1.00 0.00 H ATOM 285 H ASN A 56 17.091 84.235 138.815 1.00 0.00 H ATOM 286 N ILE A 57 15.230 82.215 140.129 1.00 14.22 N ATOM 287 CA ILE A 57 14.282 81.109 140.045 1.00 14.34 C ATOM 288 C ILE A 57 14.779 79.920 140.844 1.00 20.91 C ATOM 289 O ILE A 57 15.968 79.595 140.810 1.00 21.84 O ATOM 290 CB ILE A 57 13.932 80.774 138.532 1.00 15.60 C ATOM 291 CG1 ILE A 57 12.869 81.745 138.008 1.00 14.97 C ATOM 292 CG2 ILE A 57 13.471 79.307 138.301 1.00 14.45 C ATOM 293 CD1 ILE A 57 12.642 81.771 136.468 1.00 19.55 C ATOM 294 H ILE A 57 16.193 82.075 139.761 1.00 0.00 H ATOM 295 N GLU A 58 13.873 79.284 141.578 1.00 18.24 N ATOM 296 CA GLU A 58 14.229 78.083 142.308 1.00 19.18 C ATOM 297 C GLU A 58 13.447 76.950 141.664 1.00 24.20 C ATOM 298 O GLU A 58 12.217 77.018 141.590 1.00 24.87 O ATOM 299 CB GLU A 58 13.897 78.180 143.808 1.00 20.75 C ATOM 300 CG GLU A 58 14.744 77.241 144.659 1.00 35.01 C ATOM 301 CD GLU A 58 14.125 76.728 145.951 1.00 66.88 C ATOM 302 OE1 GLU A 58 13.512 77.532 146.694 1.00 59.53 O ATOM 303 OE2 GLU A 58 14.277 75.514 146.228 1.00 57.75 O ATOM 304 H GLU A 58 12.901 79.650 141.629 1.00 0.00 H ATOM 305 N VAL A 59 14.162 75.912 141.210 1.00 19.69 N ATOM 306 CA VAL A 59 13.551 74.729 140.610 1.00 19.43 C ATOM 307 C VAL A 59 13.193 73.751 141.739 1.00 23.51 C ATOM 308 O VAL A 59 14.004 73.541 142.624 1.00 23.62 O ATOM 309 CB VAL A 59 14.387 74.137 139.436 1.00 21.69 C ATOM 310 CG1 VAL A 59 13.810 72.805 138.947 1.00 21.49 C ATOM 311 CG2 VAL A 59 14.449 75.141 138.279 1.00 19.89 C ATOM 312 H VAL A 59 15.198 75.950 141.288 1.00 0.00 H ATOM 313 N LYS A 60 11.941 73.251 141.753 1.00 18.96 N ATOM 314 CA LYS A 60 11.423 72.398 142.811 1.00 19.03 C ATOM 315 C LYS A 60 11.039 71.000 142.315 1.00 22.97 C ATOM 316 O LYS A 60 10.845 70.790 141.120 1.00 21.05 O ATOM 317 CB LYS A 60 10.204 73.072 143.465 1.00 21.71 C ATOM 318 CG LYS A 60 10.436 74.521 143.914 1.00 40.36 C ATOM 319 CD LYS A 60 10.789 74.650 145.393 1.00 52.55 C ATOM 320 CE LYS A 60 10.554 76.056 145.916 1.00 63.33 C ATOM 321 NZ LYS A 60 9.102 76.410 145.984 1.00 73.32 N ATOM 322 HZ1 LYS A 60 8.687 76.349 145.032 1.00 0.00 H ATOM 323 HZ2 LYS A 60 8.614 75.747 146.619 1.00 0.00 H ATOM 324 HZ3 LYS A 60 8.999 77.379 146.347 1.00 0.00 H ATOM 325 H LYS A 60 11.309 73.489 140.962 1.00 0.00 H ATOM 326 N GLU A 61 10.937 70.034 143.247 1.00 20.80 N ATOM 327 CA GLU A 61 10.538 68.647 142.957 1.00 20.75 C ATOM 328 C GLU A 61 11.345 67.990 141.826 1.00 21.41 C ATOM 329 O GLU A 61 10.793 67.235 141.041 1.00 20.45 O ATOM 330 CB GLU A 61 9.027 68.562 142.658 1.00 22.42 C ATOM 331 CG GLU A 61 8.130 68.854 143.839 1.00 38.79 C ATOM 332 CD GLU A 61 6.709 68.395 143.580 1.00 80.19 C ATOM 333 OE1 GLU A 61 6.433 67.187 143.766 1.00 92.02 O ATOM 334 OE2 GLU A 61 5.888 69.225 143.129 1.00 76.94 O ATOM 335 H GLU A 61 11.154 70.283 144.233 1.00 0.00 H ATOM 336 N GLY A 62 12.634 68.285 141.765 1.00 17.33 N ATOM 337 CA GLY A 62 13.537 67.751 140.759 1.00 17.25 C ATOM 338 C GLY A 62 13.215 68.099 139.319 1.00 22.99 C ATOM 339 O GLY A 62 13.552 67.331 138.427 1.00 24.13 O ATOM 340 H GLY A 62 13.023 68.936 142.477 1.00 0.00 H ATOM 341 N GLY A 63 12.576 69.246 139.088 1.00 18.59 N ATOM 342 CA GLY A 63 12.247 69.708 137.750 1.00 16.86 C ATOM 343 C GLY A 63 10.784 69.863 137.389 1.00 18.21 C ATOM 344 O GLY A 63 10.490 70.434 136.340 1.00 16.19 O ATOM 345 H GLY A 63 12.301 69.835 139.900 1.00 0.00 H ATOM 346 N LEU A 64 9.855 69.366 138.233 1.00 14.07 N ATOM 347 CA LEU A 64 8.431 69.406 137.937 1.00 13.22 C ATOM 348 C LEU A 64 7.865 70.811 137.931 1.00 16.44 C ATOM 349 O LEU A 64 6.932 71.095 137.176 1.00 16.00 O ATOM 350 CB LEU A 64 7.613 68.479 138.831 1.00 14.13 C ATOM 351 CG LEU A 64 7.939 66.975 138.745 1.00 20.17 C ATOM 352 CD1 LEU A 64 6.800 66.153 139.303 1.00 20.59 C ATOM 353 CD2 LEU A 64 8.285 66.535 137.319 1.00 23.30 C ATOM 354 H LEU A 64 10.169 68.939 139.128 1.00 0.00 H ATOM 355 N TYR A 65 8.477 71.708 138.682 1.00 13.39 N ATOM 356 CA TYR A 65 8.029 73.093 138.661 1.00 14.45 C ATOM 357 C TYR A 65 9.109 74.048 139.133 1.00 19.32 C ATOM 358 O TYR A 65 10.109 73.623 139.715 1.00 19.26 O ATOM 359 CB TYR A 65 6.685 73.283 139.435 1.00 16.27 C ATOM 360 CG TYR A 65 6.770 73.366 140.945 1.00 17.69 C ATOM 361 CD1 TYR A 65 6.595 72.235 141.733 1.00 20.85 C ATOM 362 CD2 TYR A 65 6.846 74.596 141.591 1.00 19.02 C ATOM 363 CE1 TYR A 65 6.577 72.317 143.130 1.00 23.85 C ATOM 364 CE2 TYR A 65 6.856 74.688 142.986 1.00 20.56 C ATOM 365 CZ TYR A 65 6.744 73.542 143.751 1.00 28.48 C ATOM 366 OH TYR A 65 6.784 73.619 145.122 1.00 33.76 O ATOM 367 HH TYR A 65 6.042 74.191 145.441 1.00 0.00 H ATOM 368 H TYR A 65 9.276 71.426 139.286 1.00 0.00 H ATOM 369 N PHE A 66 8.890 75.344 138.906 1.00 17.85 N ATOM 370 CA PHE A 66 9.783 76.389 139.406 1.00 18.77 C ATOM 371 C PHE A 66 8.991 77.489 140.089 1.00 21.86 C ATOM 372 O PHE A 66 7.831 77.730 139.716 1.00 19.22 O ATOM 373 CB PHE A 66 10.690 76.973 138.302 1.00 20.10 C ATOM 374 CG PHE A 66 10.053 77.916 137.299 1.00 20.70 C ATOM 375 CD1 PHE A 66 9.692 79.212 137.664 1.00 23.71 C ATOM 376 CD2 PHE A 66 9.944 77.561 135.964 1.00 20.47 C ATOM 377 CE1 PHE A 66 9.166 80.101 136.728 1.00 23.06 C ATOM 378 CE2 PHE A 66 9.405 78.444 135.038 1.00 22.24 C ATOM 379 CZ PHE A 66 9.022 79.709 135.424 1.00 20.48 C ATOM 380 H PHE A 66 8.054 75.622 138.353 1.00 0.00 H ATOM 381 N GLU A 67 9.641 78.182 141.054 1.00 18.62 N ATOM 382 CA GLU A 67 9.071 79.335 141.750 1.00 18.59 C ATOM 383 C GLU A 67 9.983 80.544 141.518 1.00 21.75 C ATOM 384 O GLU A 67 11.190 80.467 141.768 1.00 22.99 O ATOM 385 CB GLU A 67 8.872 79.060 143.250 1.00 20.65 C ATOM 386 CG GLU A 67 8.292 80.251 144.013 1.00 33.93 C ATOM 387 CD GLU A 67 7.697 79.988 145.385 1.00 55.74 C ATOM 388 OE1 GLU A 67 7.397 78.813 145.706 1.00 51.30 O ATOM 389 OE2 GLU A 67 7.513 80.972 146.137 1.00 48.17 O ATOM 390 H GLU A 67 10.600 77.877 141.315 1.00 0.00 H ATOM 391 N ARG A 68 9.430 81.639 141.015 1.00 16.18 N ATOM 392 CA ARG A 68 10.242 82.839 140.811 1.00 15.55 C ATOM 393 C ARG A 68 10.124 83.670 142.054 1.00 19.20 C ATOM 394 O ARG A 68 9.018 83.945 142.491 1.00 19.45 O ATOM 395 CB ARG A 68 9.805 83.619 139.566 1.00 13.69 C ATOM 396 CG ARG A 68 10.633 84.876 139.278 1.00 17.77 C ATOM 397 CD ARG A 68 9.766 85.803 138.448 1.00 24.10 C ATOM 398 NE ARG A 68 10.312 87.152 138.250 1.00 14.15 N ATOM 399 CZ ARG A 68 10.078 88.163 139.066 1.00 19.62 C ATOM 400 NH1 ARG A 68 9.407 87.971 140.194 1.00 9.57 N ATOM 401 NH2 ARG A 68 10.534 89.374 138.777 1.00 10.49 N ATOM 402 HE ARG A 68 10.917 87.320 137.421 1.00 0.00 H ATOM 403 HH12 ARG A 68 9.225 88.771 140.833 1.00 0.00 H ATOM 404 HH11 ARG A 68 9.063 87.021 140.439 1.00 0.00 H ATOM 405 HH22 ARG A 68 10.347 90.168 139.423 1.00 0.00 H ATOM 406 HH21 ARG A 68 11.078 89.530 137.905 1.00 0.00 H ATOM 407 H ARG A 68 8.420 81.645 140.766 1.00 0.00 H ATOM 408 N ARG A 69 11.250 84.052 142.647 1.00 16.68 N ATOM 409 CA ARG A 69 11.231 84.852 143.878 1.00 18.02 C ATOM 410 C ARG A 69 10.743 86.303 143.593 1.00 24.25 C ATOM 411 O ARG A 69 10.875 86.764 142.448 1.00 23.18 O ATOM 412 CB ARG A 69 12.595 84.801 144.611 1.00 15.51 C ATOM 413 CG ARG A 69 13.683 85.658 143.973 1.00 23.40 C ATOM 414 CD ARG A 69 14.939 85.773 144.818 1.00 29.66 C ATOM 415 NE ARG A 69 15.956 86.613 144.172 1.00 36.21 N ATOM 416 CZ ARG A 69 16.136 87.907 144.430 1.00 55.36 C ATOM 417 NH1 ARG A 69 15.378 88.525 145.331 1.00 36.06 N ATOM 418 NH2 ARG A 69 17.084 88.592 143.799 1.00 48.61 N ATOM 419 HE ARG A 69 16.577 86.168 143.466 1.00 0.00 H ATOM 420 HH12 ARG A 69 15.524 89.536 145.528 1.00 0.00 H ATOM 421 HH11 ARG A 69 14.639 87.998 145.839 1.00 0.00 H ATOM 422 HH22 ARG A 69 17.220 89.602 144.005 1.00 0.00 H ATOM 423 HH21 ARG A 69 17.690 88.118 143.099 1.00 0.00 H ATOM 424 H ARG A 69 12.163 83.779 142.231 1.00 0.00 H ATOM 425 N PRO A 70 10.181 87.029 144.588 1.00 23.24 N ATOM 426 CA PRO A 70 9.681 88.386 144.298 1.00 24.88 C ATOM 427 C PRO A 70 10.745 89.487 144.128 1.00 32.40 C ATOM 428 O PRO A 70 10.898 90.334 145.003 1.00 35.06 O ATOM 429 CB PRO A 70 8.721 88.681 145.466 1.00 26.88 C ATOM 430 CG PRO A 70 9.185 87.828 146.560 1.00 30.67 C ATOM 431 CD PRO A 70 9.877 86.629 145.980 1.00 25.25 C ATOM 432 N VAL A 71 11.375 89.555 142.950 1.00 28.01 N ATOM 433 CA VAL A 71 12.351 90.596 142.627 1.00 27.71 C ATOM 434 C VAL A 71 11.703 91.621 141.736 1.00 30.01 C ATOM 435 O VAL A 71 11.069 91.235 140.754 1.00 29.16 O ATOM 436 CB VAL A 71 13.616 90.085 141.924 1.00 31.81 C ATOM 437 CG1 VAL A 71 14.845 90.678 142.548 1.00 31.55 C ATOM 438 CG2 VAL A 71 13.684 88.579 141.914 1.00 32.25 C ATOM 439 H VAL A 71 11.161 88.835 142.231 1.00 0.00 H ATOM 440 N ALA A 72 11.949 92.920 142.005 1.00 25.32 N ATOM 441 CA ALA A 72 11.377 94.008 141.219 1.00 24.60 C ATOM 442 C ALA A 72 12.116 94.229 139.932 1.00 27.55 C ATOM 443 O ALA A 72 13.321 93.969 139.843 1.00 26.31 O ATOM 444 CB ALA A 72 11.348 95.291 142.033 1.00 26.31 C ATOM 445 H ALA A 72 12.571 93.155 142.805 1.00 0.00 H ATOM 446 N GLN A 73 11.386 94.734 138.920 1.00 24.96 N ATOM 447 CA GLN A 73 11.895 95.084 137.583 1.00 22.97 C ATOM 448 C GLN A 73 12.869 94.025 137.058 1.00 22.49 C ATOM 449 O GLN A 73 14.031 94.313 136.818 1.00 21.55 O ATOM 450 CB GLN A 73 12.538 96.501 137.577 1.00 24.48 C ATOM 451 CG GLN A 73 11.739 97.592 138.313 1.00 43.03 C ATOM 452 CD GLN A 73 10.411 97.934 137.660 1.00 65.69 C ATOM 453 OE1 GLN A 73 10.315 98.127 136.446 1.00 62.08 O ATOM 454 NE2 GLN A 73 9.359 98.044 138.461 1.00 58.48 N ATOM 455 HE22 GLN A 73 9.463 97.877 139.482 1.00 0.00 H ATOM 456 HE21 GLN A 73 8.430 98.298 138.068 1.00 0.00 H ATOM 457 H GLN A 73 10.373 94.891 139.098 1.00 0.00 H ATOM 458 N SER A 74 12.408 92.783 136.982 1.00 16.98 N ATOM 459 CA SER A 74 13.178 91.646 136.478 1.00 15.45 C ATOM 460 C SER A 74 12.233 90.667 135.853 1.00 21.41 C ATOM 461 O SER A 74 11.140 90.428 136.385 1.00 20.70 O ATOM 462 CB SER A 74 13.989 90.967 137.582 1.00 16.95 C ATOM 463 OG SER A 74 14.628 89.770 137.157 1.00 17.45 O ATOM 464 HG SER A 74 13.944 89.124 136.849 1.00 0.00 H ATOM 465 H SER A 74 11.434 92.606 137.302 1.00 0.00 H ATOM 466 N THR A 75 12.620 90.177 134.661 1.00 18.69 N ATOM 467 CA THR A 75 11.942 89.139 133.895 1.00 16.62 C ATOM 468 C THR A 75 12.901 87.996 133.964 1.00 17.77 C ATOM 469 O THR A 75 14.121 88.174 133.783 1.00 17.75 O ATOM 470 CB THR A 75 11.653 89.570 132.477 1.00 23.75 C ATOM 471 OG1 THR A 75 10.897 90.776 132.542 1.00 25.22 O ATOM 472 CG2 THR A 75 10.883 88.496 131.689 1.00 18.09 C ATOM 473 HG1 THR A 75 11.423 91.469 133.014 1.00 0.00 H ATOM 474 H THR A 75 13.486 90.577 134.247 1.00 0.00 H ATOM 475 N ASP A 76 12.371 86.836 134.302 1.00 13.24 N ATOM 476 CA ASP A 76 13.201 85.676 134.559 1.00 13.18 C ATOM 477 C ASP A 76 12.651 84.455 133.890 1.00 18.54 C ATOM 478 O ASP A 76 11.447 84.225 133.926 1.00 18.90 O ATOM 479 CB ASP A 76 13.297 85.464 136.100 1.00 14.76 C ATOM 480 CG ASP A 76 13.742 86.707 136.866 1.00 20.20 C ATOM 481 OD1 ASP A 76 12.890 87.597 137.110 1.00 19.16 O ATOM 482 OD2 ASP A 76 14.948 86.845 137.114 1.00 26.04 O ATOM 483 H ASP A 76 11.338 86.752 134.386 1.00 0.00 H ATOM 484 N GLY A 77 13.542 83.639 133.359 1.00 16.50 N ATOM 485 CA GLY A 77 13.158 82.417 132.672 1.00 16.80 C ATOM 486 C GLY A 77 13.907 81.166 133.061 1.00 20.51 C ATOM 487 O GLY A 77 14.952 81.223 133.714 1.00 21.04 O ATOM 488 H GLY A 77 14.551 83.878 133.435 1.00 0.00 H ATOM 489 N ALA A 78 13.358 80.021 132.651 1.00 15.31 N ATOM 490 CA ALA A 78 13.947 78.704 132.887 1.00 13.66 C ATOM 491 C ALA A 78 13.978 77.935 131.581 1.00 16.57 C ATOM 492 O ALA A 78 13.165 78.215 130.699 1.00 15.64 O ATOM 493 CB ALA A 78 13.107 77.944 133.890 1.00 14.10 C ATOM 494 H ALA A 78 12.458 80.068 132.133 1.00 0.00 H ATOM 495 N ARG A 79 14.899 76.962 131.455 1.00 12.36 N ATOM 496 CA ARG A 79 14.964 76.086 130.296 1.00 12.04 C ATOM 497 C ARG A 79 14.801 74.670 130.837 1.00 16.71 C ATOM 498 O ARG A 79 15.262 74.362 131.941 1.00 17.94 O ATOM 499 CB ARG A 79 16.328 76.198 129.555 1.00 10.85 C ATOM 500 CG ARG A 79 16.276 76.856 128.164 1.00 15.31 C ATOM 501 CD ARG A 79 17.599 76.825 127.371 1.00 11.95 C ATOM 502 NE ARG A 79 18.718 77.437 128.101 1.00 12.96 N ATOM 503 CZ ARG A 79 19.171 78.679 127.918 1.00 26.45 C ATOM 504 NH1 ARG A 79 20.156 79.151 128.670 1.00 11.39 N ATOM 505 NH2 ARG A 79 18.666 79.444 126.960 1.00 13.69 N ATOM 506 HE ARG A 79 19.196 76.855 128.818 1.00 0.00 H ATOM 507 HH12 ARG A 79 20.505 80.120 128.522 1.00 0.00 H ATOM 508 HH11 ARG A 79 20.580 78.552 129.407 1.00 0.00 H ATOM 509 HH22 ARG A 79 19.024 80.411 126.824 1.00 0.00 H ATOM 510 HH21 ARG A 79 17.912 79.077 126.345 1.00 0.00 H ATOM 511 H ARG A 79 15.593 76.831 132.218 1.00 0.00 H ATOM 512 N GLY A 80 14.200 73.811 130.038 1.00 12.26 N ATOM 513 CA GLY A 80 14.100 72.391 130.332 1.00 12.88 C ATOM 514 C GLY A 80 15.501 71.784 130.319 1.00 16.37 C ATOM 515 O GLY A 80 16.417 72.388 129.757 1.00 15.99 O ATOM 516 H GLY A 80 13.778 74.166 129.156 1.00 0.00 H ATOM 517 N LYS A 81 15.702 70.625 130.981 1.00 12.36 N ATOM 518 CA LYS A 81 17.027 69.977 131.033 1.00 12.69 C ATOM 519 C LYS A 81 17.423 69.387 129.670 1.00 17.78 C ATOM 520 O LYS A 81 18.617 69.122 129.452 1.00 18.75 O ATOM 521 CB LYS A 81 17.032 68.839 132.061 1.00 13.79 C ATOM 522 CG LYS A 81 16.859 69.267 133.500 1.00 19.35 C ATOM 523 CD LYS A 81 16.474 68.119 134.418 1.00 13.08 C ATOM 524 CE LYS A 81 16.397 68.632 135.835 1.00 14.64 C ATOM 525 NZ LYS A 81 15.645 67.710 136.721 1.00 16.84 N ATOM 526 HZ1 LYS A 81 14.675 67.600 136.362 1.00 0.00 H ATOM 527 HZ2 LYS A 81 16.117 66.784 136.736 1.00 0.00 H ATOM 528 HZ3 LYS A 81 15.617 68.102 137.684 1.00 0.00 H ATOM 529 H LYS A 81 14.900 70.176 131.468 1.00 0.00 H ATOM 530 N ARG A 82 16.415 69.166 128.770 1.00 12.02 N ATOM 531 CA ARG A 82 16.589 68.483 127.500 1.00 12.21 C ATOM 532 C ARG A 82 16.271 69.242 126.260 1.00 17.25 C ATOM 533 O ARG A 82 15.163 69.776 126.095 1.00 17.22 O ATOM 534 CB ARG A 82 15.773 67.181 127.482 1.00 13.23 C ATOM 535 CG ARG A 82 16.284 66.196 128.495 1.00 21.87 C ATOM 536 CD ARG A 82 17.531 65.523 127.952 1.00 34.52 C ATOM 537 NE ARG A 82 17.134 64.368 127.166 1.00 39.52 N ATOM 538 CZ ARG A 82 16.866 63.186 127.698 1.00 40.90 C ATOM 539 NH1 ARG A 82 17.016 62.989 129.002 1.00 17.03 N ATOM 540 NH2 ARG A 82 16.451 62.187 126.931 1.00 22.29 N ATOM 541 HE ARG A 82 17.056 64.475 126.134 1.00 0.00 H ATOM 542 HH12 ARG A 82 16.804 62.058 129.415 1.00 0.00 H ATOM 543 HH11 ARG A 82 17.345 63.765 129.611 1.00 0.00 H ATOM 544 HH22 ARG A 82 16.241 61.260 127.353 1.00 0.00 H ATOM 545 HH21 ARG A 82 16.335 62.331 125.908 1.00 0.00 H ATOM 546 H ARG A 82 15.463 69.509 129.011 1.00 0.00 H ATOM 547 N GLY A 83 17.227 69.179 125.342 1.00 13.77 N ATOM 548 CA GLY A 83 17.135 69.791 124.031 1.00 13.85 C ATOM 549 C GLY A 83 16.735 68.768 123.009 1.00 19.31 C ATOM 550 O GLY A 83 17.282 67.663 123.002 1.00 20.62 O ATOM 551 H GLY A 83 18.096 68.658 125.578 1.00 0.00 H ATOM 552 N TYR A 84 15.776 69.142 122.145 1.00 15.21 N ATOM 553 CA TYR A 84 15.240 68.324 121.046 1.00 13.61 C ATOM 554 C TYR A 84 15.650 68.928 119.718 1.00 18.65 C ATOM 555 O TYR A 84 15.531 70.137 119.523 1.00 21.99 O ATOM 556 CB TYR A 84 13.696 68.241 121.137 1.00 13.15 C ATOM 557 CG TYR A 84 13.212 68.014 122.552 1.00 14.75 C ATOM 558 CD1 TYR A 84 13.646 66.910 123.291 1.00 16.67 C ATOM 559 CD2 TYR A 84 12.398 68.948 123.188 1.00 13.55 C ATOM 560 CE1 TYR A 84 13.256 66.731 124.611 1.00 16.72 C ATOM 561 CE2 TYR A 84 12.032 68.795 124.521 1.00 13.07 C ATOM 562 CZ TYR A 84 12.454 67.682 125.225 1.00 21.29 C ATOM 563 OH TYR A 84 12.077 67.518 126.530 1.00 19.34 O ATOM 564 HH TYR A 84 12.463 66.676 126.880 1.00 0.00 H ATOM 565 H TYR A 84 15.377 70.095 122.264 1.00 0.00 H ATOM 566 N SER A 85 16.121 68.097 118.814 1.00 13.98 N ATOM 567 CA SER A 85 16.545 68.448 117.460 1.00 14.18 C ATOM 568 C SER A 85 15.861 67.537 116.439 1.00 21.17 C ATOM 569 O SER A 85 15.878 67.843 115.250 1.00 22.76 O ATOM 570 CB SER A 85 18.065 68.362 117.320 1.00 16.65 C ATOM 571 OG SER A 85 18.569 67.131 117.803 1.00 26.35 O ATOM 572 HG SER A 85 19.553 67.114 117.695 1.00 0.00 H ATOM 573 H SER A 85 16.199 67.097 119.088 1.00 0.00 H ATOM 574 N ARG A 86 15.234 66.432 116.911 1.00 18.17 N ATOM 575 CA ARG A 86 14.546 65.443 116.077 1.00 17.57 C ATOM 576 C ARG A 86 13.250 65.017 116.719 1.00 19.76 C ATOM 577 O ARG A 86 13.108 65.130 117.927 1.00 19.81 O ATOM 578 CB ARG A 86 15.438 64.195 115.871 1.00 18.83 C ATOM 579 CG ARG A 86 16.723 64.427 115.023 1.00 31.85 C ATOM 580 CD ARG A 86 16.460 64.870 113.578 1.00 47.13 C ATOM 581 NE ARG A 86 15.626 63.920 112.840 1.00 52.07 N ATOM 582 CZ ARG A 86 16.086 63.037 111.962 1.00 63.02 C ATOM 583 NH1 ARG A 86 17.380 62.995 111.668 1.00 46.86 N ATOM 584 NH2 ARG A 86 15.254 62.202 111.355 1.00 50.08 N ATOM 585 HE ARG A 86 14.601 63.938 113.016 1.00 0.00 H ATOM 586 HH12 ARG A 86 17.735 62.301 110.979 1.00 0.00 H ATOM 587 HH11 ARG A 86 18.039 63.656 112.126 1.00 0.00 H ATOM 588 HH22 ARG A 86 15.619 61.512 110.668 1.00 0.00 H ATOM 589 HH21 ARG A 86 14.236 62.237 111.566 1.00 0.00 H ATOM 590 H ARG A 86 15.242 66.275 117.939 1.00 0.00 H ATOM 591 N GLY A 87 12.342 64.496 115.910 1.00 15.48 N ATOM 592 CA GLY A 87 11.079 63.912 116.338 1.00 15.51 C ATOM 593 C GLY A 87 10.035 64.889 116.840 1.00 20.20 C ATOM 594 O GLY A 87 10.188 66.103 116.687 1.00 19.02 O ATOM 595 H GLY A 87 12.546 64.504 114.890 1.00 0.00 H ATOM 596 N LEU A 88 8.951 64.329 117.423 1.00 15.71 N ATOM 597 CA LEU A 88 7.831 65.033 118.001 1.00 14.66 C ATOM 598 C LEU A 88 7.944 65.081 119.529 1.00 16.31 C ATOM 599 O LEU A 88 8.070 64.047 120.152 1.00 13.43 O ATOM 600 CB LEU A 88 6.516 64.354 117.578 1.00 15.32 C ATOM 601 CG LEU A 88 5.206 65.162 117.837 1.00 20.35 C ATOM 602 CD1 LEU A 88 5.233 66.516 117.143 1.00 20.82 C ATOM 603 CD2 LEU A 88 3.989 64.385 117.347 1.00 18.43 C ATOM 604 H LEU A 88 8.921 63.290 117.458 1.00 0.00 H ATOM 605 N HIS A 89 7.900 66.287 120.121 1.00 14.91 N ATOM 606 CA HIS A 89 7.935 66.488 121.582 1.00 15.47 C ATOM 607 C HIS A 89 6.786 67.368 122.041 1.00 19.46 C ATOM 608 O HIS A 89 6.496 68.377 121.404 1.00 19.01 O ATOM 609 CB HIS A 89 9.299 67.047 122.053 1.00 15.28 C ATOM 610 CG HIS A 89 10.411 66.168 121.582 1.00 18.27 C ATOM 611 ND1 HIS A 89 10.814 65.070 122.317 1.00 19.71 N ATOM 612 CD2 HIS A 89 11.036 66.143 120.381 1.00 18.86 C ATOM 613 CE1 HIS A 89 11.723 64.462 121.577 1.00 18.84 C ATOM 614 NE2 HIS A 89 11.888 65.071 120.406 1.00 19.01 N ATOM 615 H HIS A 89 7.838 67.128 119.513 1.00 0.00 H ATOM 616 N ALA A 90 6.128 66.973 123.121 1.00 16.18 N ATOM 617 CA ALA A 90 4.996 67.722 123.673 1.00 16.44 C ATOM 618 C ALA A 90 5.053 67.754 125.193 1.00 21.33 C ATOM 619 O ALA A 90 5.426 66.751 125.824 1.00 20.48 O ATOM 620 CB ALA A 90 3.673 67.137 123.196 1.00 16.89 C ATOM 621 H ALA A 90 6.427 66.097 123.596 1.00 0.00 H ATOM 622 N TRP A 91 4.729 68.930 125.775 1.00 17.90 N ATOM 623 CA TRP A 91 4.750 69.142 127.229 1.00 17.10 C ATOM 624 C TRP A 91 3.652 70.046 127.672 1.00 20.27 C ATOM 625 O TRP A 91 3.295 71.013 127.004 1.00 21.15 O ATOM 626 CB TRP A 91 6.126 69.608 127.764 1.00 15.49 C ATOM 627 CG TRP A 91 6.637 70.885 127.167 1.00 16.92 C ATOM 628 CD1 TRP A 91 6.424 72.156 127.626 1.00 19.79 C ATOM 629 CD2 TRP A 91 7.451 71.014 125.989 1.00 16.69 C ATOM 630 NE1 TRP A 91 7.066 73.069 126.810 1.00 18.92 N ATOM 631 CE2 TRP A 91 7.669 72.398 125.776 1.00 20.22 C ATOM 632 CE3 TRP A 91 7.991 70.092 125.071 1.00 17.96 C ATOM 633 CZ2 TRP A 91 8.403 72.881 124.682 1.00 19.47 C ATOM 634 CZ3 TRP A 91 8.733 70.571 124.000 1.00 19.70 C ATOM 635 CH2 TRP A 91 8.958 71.949 123.828 1.00 20.09 C ATOM 636 HE1 TRP A 91 7.088 74.098 126.956 1.00 0.00 H ATOM 637 H TRP A 91 4.451 69.724 125.164 1.00 0.00 H ATOM 638 N GLU A 92 3.093 69.714 128.794 1.00 16.81 N ATOM 639 CA GLU A 92 2.033 70.500 129.392 1.00 14.87 C ATOM 640 C GLU A 92 2.619 71.533 130.337 1.00 15.74 C ATOM 641 O GLU A 92 3.372 71.191 131.229 1.00 14.82 O ATOM 642 CB GLU A 92 1.069 69.580 130.132 1.00 15.65 C ATOM 643 CG GLU A 92 -0.132 70.310 130.689 1.00 22.13 C ATOM 644 CD GLU A 92 -0.864 69.488 131.724 1.00 42.75 C ATOM 645 OE1 GLU A 92 -0.374 69.368 132.874 1.00 41.02 O ATOM 646 OE2 GLU A 92 -1.882 68.875 131.341 1.00 27.37 O ATOM 647 H GLU A 92 3.417 68.854 129.281 1.00 0.00 H ATOM 648 N ILE A 93 2.239 72.789 130.158 1.00 12.30 N ATOM 649 CA ILE A 93 2.627 73.870 131.041 1.00 11.25 C ATOM 650 C ILE A 93 1.394 74.197 131.873 1.00 17.61 C ATOM 651 O ILE A 93 0.310 74.367 131.319 1.00 17.45 O ATOM 652 CB ILE A 93 3.119 75.113 130.242 1.00 13.76 C ATOM 653 CG1 ILE A 93 4.471 74.830 129.523 1.00 14.08 C ATOM 654 CG2 ILE A 93 3.163 76.408 131.115 1.00 12.11 C ATOM 655 CD1 ILE A 93 5.746 74.588 130.493 1.00 17.00 C ATOM 656 H ILE A 93 1.632 73.010 129.343 1.00 0.00 H ATOM 657 N SER A 94 1.546 74.260 133.198 1.00 14.55 N ATOM 658 CA SER A 94 0.449 74.706 134.028 1.00 14.24 C ATOM 659 C SER A 94 0.905 76.026 134.655 1.00 18.95 C ATOM 660 O SER A 94 1.967 76.093 135.311 1.00 18.79 O ATOM 661 CB SER A 94 0.106 73.662 135.084 1.00 17.64 C ATOM 662 OG SER A 94 -0.410 72.501 134.458 1.00 22.72 O ATOM 663 HG SER A 94 0.269 72.132 133.839 1.00 0.00 H ATOM 664 H SER A 94 2.451 73.989 133.632 1.00 0.00 H ATOM 665 N TRP A 95 0.149 77.088 134.374 1.00 15.48 N ATOM 666 CA TRP A 95 0.508 78.436 134.830 1.00 16.21 C ATOM 667 C TRP A 95 -0.725 79.161 135.327 1.00 18.73 C ATOM 668 O TRP A 95 -1.521 79.593 134.508 1.00 17.15 O ATOM 669 CB TRP A 95 1.183 79.219 133.691 1.00 14.23 C ATOM 670 CG TRP A 95 2.006 80.401 134.124 1.00 15.04 C ATOM 671 CD1 TRP A 95 1.815 81.189 135.227 1.00 18.05 C ATOM 672 CD2 TRP A 95 3.030 81.038 133.352 1.00 14.46 C ATOM 673 NE1 TRP A 95 2.716 82.229 135.226 1.00 16.71 N ATOM 674 CE2 TRP A 95 3.471 82.162 134.085 1.00 16.94 C ATOM 675 CE3 TRP A 95 3.661 80.734 132.130 1.00 15.11 C ATOM 676 CZ2 TRP A 95 4.527 82.952 133.661 1.00 15.52 C ATOM 677 CZ3 TRP A 95 4.681 81.560 131.685 1.00 15.40 C ATOM 678 CH2 TRP A 95 5.123 82.632 132.461 1.00 15.76 C ATOM 679 HE1 TRP A 95 2.809 82.949 135.971 1.00 0.00 H ATOM 680 H TRP A 95 -0.719 76.957 133.816 1.00 0.00 H ATOM 681 N PRO A 96 -0.913 79.262 136.658 1.00 15.88 N ATOM 682 CA PRO A 96 -2.139 79.889 137.198 1.00 17.02 C ATOM 683 C PRO A 96 -2.340 81.337 136.751 1.00 23.22 C ATOM 684 O PRO A 96 -1.380 82.104 136.715 1.00 24.08 O ATOM 685 CB PRO A 96 -1.969 79.770 138.716 1.00 18.88 C ATOM 686 CG PRO A 96 -0.966 78.745 138.922 1.00 22.16 C ATOM 687 CD PRO A 96 -0.038 78.775 137.740 1.00 16.89 C ATOM 688 N LEU A 97 -3.577 81.694 136.405 1.00 21.51 N ATOM 689 CA LEU A 97 -3.961 83.007 135.860 1.00 22.94 C ATOM 690 C LEU A 97 -3.613 84.203 136.784 1.00 27.21 C ATOM 691 O LEU A 97 -3.186 85.269 136.306 1.00 28.43 O ATOM 692 CB LEU A 97 -5.458 83.046 135.448 1.00 24.01 C ATOM 693 CG LEU A 97 -6.109 81.838 134.741 1.00 28.79 C ATOM 694 CD1 LEU A 97 -7.476 82.232 134.169 1.00 29.61 C ATOM 695 CD2 LEU A 97 -5.262 81.290 133.602 1.00 27.74 C ATOM 696 H LEU A 97 -4.331 80.989 136.530 1.00 0.00 H ATOM 697 N GLU A 98 -3.742 83.993 138.090 1.00 22.12 N ATOM 698 CA GLU A 98 -3.403 84.973 139.128 1.00 22.02 C ATOM 699 C GLU A 98 -1.884 85.137 139.319 1.00 24.96 C ATOM 700 O GLU A 98 -1.466 85.994 140.092 1.00 24.61 O ATOM 701 CB GLU A 98 -4.040 84.576 140.465 1.00 23.43 C ATOM 702 CG GLU A 98 -5.545 84.692 140.472 1.00 35.03 C ATOM 703 H GLU A 98 -4.109 83.070 138.398 1.00 0.00 H ATOM 704 N GLN A 99 -1.071 84.324 138.629 1.00 20.90 N ATOM 705 CA GLN A 99 0.393 84.360 138.757 1.00 19.76 C ATOM 706 C GLN A 99 1.094 84.713 137.426 1.00 21.39 C ATOM 707 O GLN A 99 2.252 84.362 137.261 1.00 19.42 O ATOM 708 CB GLN A 99 0.910 83.014 139.321 1.00 20.00 C ATOM 709 CG GLN A 99 0.456 82.694 140.760 1.00 11.83 C ATOM 710 CD GLN A 99 0.884 81.303 141.209 1.00 28.93 C ATOM 711 OE1 GLN A 99 1.872 80.725 140.759 1.00 22.62 O ATOM 712 NE2 GLN A 99 0.124 80.698 142.088 1.00 32.10 N ATOM 713 HE22 GLN A 99 -0.713 81.181 142.472 1.00 0.00 H ATOM 714 HE21 GLN A 99 0.357 79.734 142.402 1.00 0.00 H ATOM 715 H GLN A 99 -1.495 83.637 137.974 1.00 0.00 H ATOM 716 N ARG A 100 0.391 85.376 136.469 1.00 17.26 N ATOM 717 CA ARG A 100 0.964 85.714 135.152 1.00 16.00 C ATOM 718 C ARG A 100 1.495 87.139 135.063 1.00 22.57 C ATOM 719 O ARG A 100 2.557 87.357 134.475 1.00 21.86 O ATOM 720 CB ARG A 100 -0.024 85.420 134.012 1.00 12.36 C ATOM 721 CG ARG A 100 -0.247 83.918 133.874 1.00 11.63 C ATOM 722 CD ARG A 100 -1.411 83.594 133.021 1.00 14.57 C ATOM 723 NE ARG A 100 -1.572 82.146 132.916 1.00 21.63 N ATOM 724 CZ ARG A 100 -2.344 81.540 132.015 1.00 29.28 C ATOM 725 NH1 ARG A 100 -2.443 80.216 132.000 1.00 11.29 N ATOM 726 NH2 ARG A 100 -3.036 82.253 131.135 1.00 12.91 N ATOM 727 HE ARG A 100 -1.050 81.549 133.589 1.00 0.00 H ATOM 728 HH12 ARG A 100 -3.047 79.748 131.295 1.00 0.00 H ATOM 729 HH11 ARG A 100 -1.917 79.647 132.694 1.00 0.00 H ATOM 730 HH22 ARG A 100 -3.637 81.773 130.434 1.00 0.00 H ATOM 731 HH21 ARG A 100 -2.978 83.291 131.146 1.00 0.00 H ATOM 732 H ARG A 100 -0.590 85.656 136.674 1.00 0.00 H ATOM 733 N GLY A 101 0.783 88.092 135.664 1.00 19.72 N ATOM 734 CA GLY A 101 1.220 89.483 135.672 1.00 19.36 C ATOM 735 C GLY A 101 1.247 90.076 134.279 1.00 23.50 C ATOM 736 O GLY A 101 0.475 89.648 133.410 1.00 24.01 O ATOM 737 H GLY A 101 -0.106 87.837 136.139 1.00 0.00 H ATOM 738 N THR A 102 2.150 91.041 134.046 1.00 18.99 N ATOM 739 CA THR A 102 2.204 91.749 132.773 1.00 18.41 C ATOM 740 C THR A 102 2.808 90.966 131.598 1.00 21.19 C ATOM 741 O THR A 102 2.394 91.244 130.483 1.00 19.64 O ATOM 742 CB THR A 102 2.883 93.091 132.904 1.00 19.74 C ATOM 743 OG1 THR A 102 4.241 92.878 133.289 1.00 23.26 O ATOM 744 CG2 THR A 102 2.127 94.058 133.851 1.00 8.95 C ATOM 745 HG1 THR A 102 4.697 92.335 132.599 1.00 0.00 H ATOM 746 H THR A 102 2.829 91.290 134.793 1.00 0.00 H ATOM 747 N HIS A 103 3.793 90.048 131.803 1.00 17.80 N ATOM 748 CA HIS A 103 4.412 89.324 130.678 1.00 16.73 C ATOM 749 C HIS A 103 4.699 87.875 131.019 1.00 21.33 C ATOM 750 O HIS A 103 5.734 87.554 131.593 1.00 24.08 O ATOM 751 CB HIS A 103 5.707 89.993 130.172 1.00 17.00 C ATOM 752 CG HIS A 103 5.629 91.458 129.885 1.00 20.66 C ATOM 753 ND1 HIS A 103 5.676 92.398 130.903 1.00 23.31 N ATOM 754 CD2 HIS A 103 5.591 92.102 128.699 1.00 21.80 C ATOM 755 CE1 HIS A 103 5.651 93.576 130.301 1.00 23.24 C ATOM 756 NE2 HIS A 103 5.568 93.445 128.979 1.00 22.84 N ATOM 757 H HIS A 103 4.115 89.854 132.773 1.00 0.00 H ATOM 758 N ALA A 104 3.801 87.004 130.638 1.00 15.96 N ATOM 759 CA ALA A 104 3.901 85.575 130.825 1.00 15.50 C ATOM 760 C ALA A 104 4.050 85.012 129.395 1.00 22.03 C ATOM 761 O ALA A 104 3.110 85.113 128.606 1.00 21.34 O ATOM 762 CB ALA A 104 2.624 85.058 131.470 1.00 15.93 C ATOM 763 H ALA A 104 2.950 87.368 130.164 1.00 0.00 H ATOM 764 N VAL A 105 5.261 84.506 129.048 1.00 18.30 N ATOM 765 CA VAL A 105 5.587 83.957 127.727 1.00 17.71 C ATOM 766 C VAL A 105 5.960 82.468 127.850 1.00 19.32 C ATOM 767 O VAL A 105 6.742 82.086 128.732 1.00 18.51 O ATOM 768 CB VAL A 105 6.707 84.750 126.986 1.00 21.53 C ATOM 769 CG1 VAL A 105 6.638 84.504 125.477 1.00 20.99 C ATOM 770 CG2 VAL A 105 6.611 86.249 127.271 1.00 22.01 C ATOM 771 H VAL A 105 6.010 84.508 129.769 1.00 0.00 H ATOM 772 N VAL A 106 5.398 81.636 126.957 1.00 12.89 N ATOM 773 CA VAL A 106 5.625 80.183 126.927 1.00 10.39 C ATOM 774 C VAL A 106 6.201 79.831 125.547 1.00 15.27 C ATOM 775 O VAL A 106 5.651 80.235 124.527 1.00 15.29 O ATOM 776 CB VAL A 106 4.302 79.402 127.228 1.00 10.74 C ATOM 777 CG1 VAL A 106 4.533 77.896 127.245 1.00 9.29 C ATOM 778 CG2 VAL A 106 3.672 79.862 128.542 1.00 9.92 C ATOM 779 H VAL A 106 4.763 82.045 126.242 1.00 0.00 H ATOM 780 N GLY A 107 7.276 79.066 125.520 1.00 12.14 N ATOM 781 CA GLY A 107 7.840 78.674 124.243 1.00 12.60 C ATOM 782 C GLY A 107 9.037 77.759 124.294 1.00 15.48 C ATOM 783 O GLY A 107 8.998 76.724 124.951 1.00 16.20 O ATOM 784 H GLY A 107 7.715 78.747 126.407 1.00 0.00 H ATOM 785 N VAL A 108 10.047 78.091 123.490 1.00 9.89 N ATOM 786 CA VAL A 108 11.297 77.350 123.315 1.00 9.29 C ATOM 787 C VAL A 108 12.451 78.330 123.135 1.00 13.71 C ATOM 788 O VAL A 108 12.248 79.516 122.847 1.00 11.81 O ATOM 789 CB VAL A 108 11.288 76.261 122.175 1.00 12.48 C ATOM 790 CG1 VAL A 108 10.263 75.155 122.445 1.00 10.98 C ATOM 791 CG2 VAL A 108 11.114 76.872 120.775 1.00 12.21 C ATOM 792 H VAL A 108 9.936 78.962 122.932 1.00 0.00 H ATOM 793 N ALA A 109 13.657 77.823 123.310 1.00 11.96 N ATOM 794 CA ALA A 109 14.861 78.611 123.152 1.00 12.82 C ATOM 795 C ALA A 109 16.034 77.659 122.852 1.00 15.80 C ATOM 796 O ALA A 109 15.981 76.488 123.193 1.00 13.32 O ATOM 797 CB ALA A 109 15.136 79.379 124.451 1.00 13.80 C ATOM 798 H ALA A 109 13.746 76.820 123.571 1.00 0.00 H ATOM 799 N THR A 110 17.089 78.179 122.230 1.00 13.35 N ATOM 800 CA THR A 110 18.334 77.457 122.034 1.00 14.15 C ATOM 801 C THR A 110 19.046 77.538 123.402 1.00 18.63 C ATOM 802 O THR A 110 18.563 78.246 124.299 1.00 17.06 O ATOM 803 CB THR A 110 19.151 78.090 120.892 1.00 21.54 C ATOM 804 OG1 THR A 110 19.742 79.311 121.348 1.00 23.74 O ATOM 805 CG2 THR A 110 18.307 78.340 119.644 1.00 16.18 C ATOM 806 HG1 THR A 110 20.267 79.717 120.613 1.00 0.00 H ATOM 807 H THR A 110 17.019 79.151 121.866 1.00 0.00 H ATOM 808 N ALA A 111 20.186 76.845 123.568 1.00 16.85 N ATOM 809 CA ALA A 111 20.943 76.876 124.836 1.00 16.34 C ATOM 810 C ALA A 111 21.627 78.237 125.143 1.00 18.51 C ATOM 811 O ALA A 111 21.996 78.466 126.281 1.00 19.42 O ATOM 812 CB ALA A 111 21.955 75.750 124.870 1.00 17.66 C ATOM 813 H ALA A 111 20.546 76.270 122.780 1.00 0.00 H ATOM 814 N LEU A 112 21.746 79.146 124.173 1.00 15.15 N ATOM 815 CA LEU A 112 22.369 80.463 124.398 1.00 15.48 C ATOM 816 C LEU A 112 21.392 81.630 124.671 1.00 20.41 C ATOM 817 O LEU A 112 21.847 82.742 124.956 1.00 19.61 O ATOM 818 CB LEU A 112 23.300 80.817 123.231 1.00 16.09 C ATOM 819 CG LEU A 112 24.619 80.030 123.164 1.00 22.83 C ATOM 820 CD1 LEU A 112 25.317 80.245 121.807 1.00 24.32 C ATOM 821 CD2 LEU A 112 25.565 80.452 124.268 1.00 26.64 C ATOM 822 H LEU A 112 21.386 78.917 123.224 1.00 0.00 H ATOM 823 N ALA A 113 20.070 81.399 124.625 1.00 19.20 N ATOM 824 CA ALA A 113 19.128 82.505 124.904 1.00 19.42 C ATOM 825 C ALA A 113 19.261 83.017 126.357 1.00 22.61 C ATOM 826 O ALA A 113 19.365 82.185 127.260 1.00 20.71 O ATOM 827 CB ALA A 113 17.693 82.078 124.628 1.00 19.27 C ATOM 828 H ALA A 113 19.711 80.450 124.395 1.00 0.00 H ATOM 829 N PRO A 114 19.322 84.363 126.594 1.00 18.27 N ATOM 830 CA PRO A 114 19.434 84.859 127.983 1.00 17.36 C ATOM 831 C PRO A 114 18.217 84.467 128.839 1.00 21.45 C ATOM 832 O PRO A 114 17.088 84.446 128.337 1.00 21.85 O ATOM 833 CB PRO A 114 19.542 86.382 127.808 1.00 19.24 C ATOM 834 CG PRO A 114 18.865 86.685 126.473 1.00 23.19 C ATOM 835 CD PRO A 114 19.243 85.477 125.622 1.00 19.32 C ATOM 836 N LEU A 115 18.428 84.171 130.119 1.00 18.78 N ATOM 837 CA LEU A 115 17.304 83.786 130.997 1.00 19.22 C ATOM 838 C LEU A 115 16.886 84.870 132.014 1.00 18.31 C ATOM 839 O LEU A 115 16.058 84.613 132.876 1.00 15.15 O ATOM 840 CB LEU A 115 17.576 82.445 131.704 1.00 19.97 C ATOM 841 CG LEU A 115 17.827 81.252 130.763 1.00 26.66 C ATOM 842 CD1 LEU A 115 18.469 80.127 131.509 1.00 28.56 C ATOM 843 CD2 LEU A 115 16.543 80.808 130.014 1.00 28.43 C ATOM 844 H LEU A 115 19.393 84.211 130.505 1.00 0.00 H ATOM 845 N GLN A 116 17.400 86.097 131.840 1.00 14.64 N ATOM 846 CA GLN A 116 17.155 87.208 132.726 1.00 14.70 C ATOM 847 C GLN A 116 17.376 88.537 132.007 1.00 20.18 C ATOM 848 O GLN A 116 18.230 88.666 131.121 1.00 21.35 O ATOM 849 CB GLN A 116 18.110 87.100 133.961 1.00 15.63 C ATOM 850 CG GLN A 116 17.592 87.756 135.237 1.00 26.96 C ATOM 851 CD GLN A 116 18.059 89.198 135.444 1.00 44.35 C ATOM 852 OE1 GLN A 116 19.132 89.623 134.984 1.00 42.17 O ATOM 853 NE2 GLN A 116 17.304 89.955 136.237 1.00 23.23 N ATOM 854 HE22 GLN A 116 16.409 89.583 136.613 1.00 0.00 H ATOM 855 HE21 GLN A 116 17.609 90.919 136.481 1.00 0.00 H ATOM 856 H GLN A 116 18.013 86.257 131.015 1.00 0.00 H ATOM 857 N THR A 117 16.600 89.520 132.413 1.00 16.86 N ATOM 858 CA THR A 117 16.702 90.914 132.009 1.00 17.19 C ATOM 859 C THR A 117 16.188 91.773 133.146 1.00 21.01 C ATOM 860 O THR A 117 15.287 91.369 133.883 1.00 20.85 O ATOM 861 CB THR A 117 16.108 91.226 130.633 1.00 22.54 C ATOM 862 OG1 THR A 117 16.703 92.461 130.201 1.00 19.66 O ATOM 863 CG2 THR A 117 14.564 91.348 130.654 1.00 16.11 C ATOM 864 HG1 THR A 117 17.685 92.351 130.146 1.00 0.00 H ATOM 865 H THR A 117 15.844 89.278 133.085 1.00 0.00 H ATOM 866 N ASP A 118 16.773 92.945 133.282 1.00 19.20 N ATOM 867 CA ASP A 118 16.541 93.888 134.362 1.00 18.94 C ATOM 868 C ASP A 118 15.407 94.896 134.095 1.00 21.69 C ATOM 869 O ASP A 118 15.497 96.072 134.462 1.00 20.05 O ATOM 870 CB ASP A 118 17.874 94.572 134.720 1.00 21.11 C ATOM 871 CG ASP A 118 18.888 93.567 135.250 1.00 38.28 C ATOM 872 OD1 ASP A 118 18.549 92.831 136.206 1.00 38.23 O ATOM 873 OD2 ASP A 118 20.020 93.507 134.697 1.00 46.82 O ATOM 874 H ASP A 118 17.461 93.219 132.552 1.00 0.00 H ATOM 875 N HIS A 119 14.301 94.390 133.560 1.00 20.72 N ATOM 876 CA HIS A 119 13.037 95.118 133.359 1.00 22.18 C ATOM 877 C HIS A 119 11.932 94.128 133.104 1.00 24.94 C ATOM 878 O HIS A 119 12.232 92.952 132.916 1.00 23.59 O ATOM 879 CB HIS A 119 13.095 96.199 132.262 1.00 24.33 C ATOM 880 CG HIS A 119 13.557 95.746 130.917 1.00 28.92 C ATOM 881 ND1 HIS A 119 12.655 95.481 129.894 1.00 31.75 N ATOM 882 CD2 HIS A 119 14.815 95.631 130.428 1.00 31.68 C ATOM 883 CE1 HIS A 119 13.391 95.158 128.838 1.00 30.80 C ATOM 884 NE2 HIS A 119 14.694 95.247 129.109 1.00 31.42 N ATOM 885 H HIS A 119 14.331 93.395 133.258 1.00 0.00 H ATOM 886 N TYR A 120 10.660 94.587 133.128 1.00 21.17 N ATOM 887 CA TYR A 120 9.491 93.756 132.838 1.00 19.62 C ATOM 888 C TYR A 120 9.331 93.660 131.308 1.00 25.94 C ATOM 889 O TYR A 120 9.120 94.678 130.645 1.00 26.17 O ATOM 890 CB TYR A 120 8.232 94.301 133.545 1.00 19.57 C ATOM 891 CG TYR A 120 8.294 94.157 135.058 1.00 20.67 C ATOM 892 CD1 TYR A 120 8.716 92.966 135.652 1.00 19.67 C ATOM 893 CD2 TYR A 120 7.940 95.217 135.897 1.00 22.20 C ATOM 894 CE1 TYR A 120 8.785 92.834 137.034 1.00 18.68 C ATOM 895 CE2 TYR A 120 8.042 95.106 137.282 1.00 22.47 C ATOM 896 CZ TYR A 120 8.432 93.902 137.847 1.00 26.96 C ATOM 897 OH TYR A 120 8.526 93.785 139.213 1.00 25.02 O ATOM 898 HH TYR A 120 7.642 93.967 139.620 1.00 0.00 H ATOM 899 H TYR A 120 10.504 95.587 133.366 1.00 0.00 H ATOM 900 N ALA A 121 9.521 92.451 130.733 1.00 23.02 N ATOM 901 CA ALA A 121 9.432 92.304 129.279 1.00 22.64 C ATOM 902 C ALA A 121 9.049 90.916 128.839 1.00 27.29 C ATOM 903 O ALA A 121 8.971 90.007 129.662 1.00 24.77 O ATOM 904 CB ALA A 121 10.753 92.700 128.619 1.00 22.52 C ATOM 905 H ALA A 121 9.731 91.623 131.326 1.00 0.00 H ATOM 906 N ALA A 122 8.831 90.772 127.505 1.00 25.72 N ATOM 907 CA ALA A 122 8.579 89.522 126.792 1.00 25.14 C ATOM 908 C ALA A 122 9.991 88.997 126.366 1.00 24.91 C ATOM 909 O ALA A 122 10.359 89.017 125.186 1.00 25.63 O ATOM 910 CB ALA A 122 7.677 89.776 125.573 1.00 25.81 C ATOM 911 H ALA A 122 8.845 91.641 126.933 1.00 0.00 H ATOM 912 N LEU A 123 10.782 88.589 127.369 1.00 16.60 N ATOM 913 CA LEU A 123 12.154 88.110 127.222 1.00 15.76 C ATOM 914 C LEU A 123 12.302 86.943 126.261 1.00 21.00 C ATOM 915 O LEU A 123 13.206 86.953 125.410 1.00 20.49 O ATOM 916 CB LEU A 123 12.704 87.746 128.595 1.00 14.89 C ATOM 917 CG LEU A 123 14.098 87.134 128.725 1.00 18.75 C ATOM 918 CD1 LEU A 123 15.184 88.002 128.040 1.00 18.51 C ATOM 919 CD2 LEU A 123 14.436 86.975 130.209 1.00 18.59 C ATOM 920 H LEU A 123 10.386 88.616 128.330 1.00 0.00 H ATOM 921 N LEU A 124 11.422 85.936 126.412 1.00 17.65 N ATOM 922 CA LEU A 124 11.411 84.746 125.578 1.00 16.29 C ATOM 923 C LEU A 124 10.791 85.120 124.222 1.00 18.41 C ATOM 924 O LEU A 124 9.594 85.332 124.132 1.00 17.08 O ATOM 925 CB LEU A 124 10.597 83.665 126.272 1.00 15.35 C ATOM 926 CG LEU A 124 10.663 82.314 125.630 1.00 18.77 C ATOM 927 CD1 LEU A 124 12.004 81.676 125.871 1.00 19.03 C ATOM 928 CD2 LEU A 124 9.529 81.463 126.083 1.00 16.13 C ATOM 929 H LEU A 124 10.711 86.014 127.167 1.00 0.00 H ATOM 930 N GLY A 125 11.628 85.226 123.199 1.00 14.30 N ATOM 931 CA GLY A 125 11.206 85.641 121.873 1.00 13.42 C ATOM 932 C GLY A 125 11.711 87.026 121.497 1.00 14.70 C ATOM 933 O GLY A 125 11.492 87.460 120.375 1.00 14.49 O ATOM 934 H GLY A 125 12.632 85.002 123.353 1.00 0.00 H ATOM 935 N SER A 126 12.422 87.725 122.390 1.00 11.22 N ATOM 936 CA SER A 126 12.961 89.079 122.059 1.00 11.75 C ATOM 937 C SER A 126 14.359 89.047 121.377 1.00 17.73 C ATOM 938 O SER A 126 15.030 90.071 121.326 1.00 17.50 O ATOM 939 CB SER A 126 13.052 89.947 123.307 1.00 10.31 C ATOM 940 OG SER A 126 14.112 89.448 124.111 1.00 16.69 O ATOM 941 HG SER A 126 13.922 88.509 124.360 1.00 0.00 H ATOM 942 H SER A 126 12.602 87.319 123.330 1.00 0.00 H ATOM 943 N ASN A 127 14.823 87.875 120.932 1.00 15.31 N ATOM 944 CA ASN A 127 16.152 87.743 120.317 1.00 15.59 C ATOM 945 C ASN A 127 16.092 86.568 119.347 1.00 21.45 C ATOM 946 O ASN A 127 15.105 85.813 119.351 1.00 21.30 O ATOM 947 CB ASN A 127 17.201 87.479 121.404 1.00 11.20 C ATOM 948 CG ASN A 127 16.767 86.386 122.356 1.00 23.61 C ATOM 949 OD1 ASN A 127 16.539 85.239 121.971 1.00 23.58 O ATOM 950 ND2 ASN A 127 16.575 86.729 123.613 1.00 20.81 N ATOM 951 HD22 ASN A 127 16.772 87.702 123.922 1.00 0.00 H ATOM 952 HD21 ASN A 127 16.226 86.027 124.296 1.00 0.00 H ATOM 953 H ASN A 127 14.225 87.029 121.024 1.00 0.00 H ATOM 954 N SER A 128 17.162 86.372 118.576 1.00 18.30 N ATOM 955 CA SER A 128 17.278 85.283 117.587 1.00 18.35 C ATOM 956 C SER A 128 17.268 83.860 118.168 1.00 19.75 C ATOM 957 O SER A 128 17.100 82.908 117.408 1.00 19.50 O ATOM 958 CB SER A 128 18.559 85.457 116.775 1.00 20.38 C ATOM 959 OG SER A 128 19.701 85.564 117.611 1.00 21.17 O ATOM 960 HG SER A 128 19.787 84.743 118.157 1.00 0.00 H ATOM 961 H SER A 128 17.964 87.027 118.678 1.00 0.00 H ATOM 962 N GLU A 129 17.449 83.716 119.497 1.00 15.03 N ATOM 963 CA GLU A 129 17.600 82.429 120.169 1.00 14.91 C ATOM 964 C GLU A 129 16.372 81.922 120.928 1.00 20.43 C ATOM 965 O GLU A 129 16.438 80.873 121.602 1.00 19.88 O ATOM 966 CB GLU A 129 18.812 82.502 121.105 1.00 16.30 C ATOM 967 CG GLU A 129 20.114 82.883 120.415 1.00 28.40 C ATOM 968 CD GLU A 129 20.488 82.119 119.163 1.00 50.86 C ATOM 969 OE1 GLU A 129 20.497 80.869 119.212 1.00 43.48 O ATOM 970 OE2 GLU A 129 20.781 82.772 118.133 1.00 53.11 O ATOM 971 H GLU A 129 17.483 84.577 120.080 1.00 0.00 H ATOM 972 N SER A 130 15.253 82.650 120.837 1.00 17.07 N ATOM 973 CA SER A 130 14.053 82.253 121.568 1.00 16.21 C ATOM 974 C SER A 130 12.781 82.533 120.792 1.00 18.69 C ATOM 975 O SER A 130 12.766 83.418 119.921 1.00 18.67 O ATOM 976 CB SER A 130 14.034 82.872 122.968 1.00 18.54 C ATOM 977 OG SER A 130 14.249 84.276 122.963 1.00 19.39 O ATOM 978 HG SER A 130 15.132 84.472 122.561 1.00 0.00 H ATOM 979 H SER A 130 15.238 83.503 120.242 1.00 0.00 H ATOM 980 N TRP A 131 11.737 81.705 121.047 1.00 13.40 N ATOM 981 CA TRP A 131 10.432 81.779 120.367 1.00 12.71 C ATOM 982 C TRP A 131 9.363 81.640 121.390 1.00 16.27 C ATOM 983 O TRP A 131 9.312 80.613 122.061 1.00 17.55 O ATOM 984 CB TRP A 131 10.256 80.629 119.352 1.00 11.44 C ATOM 985 CG TRP A 131 11.194 80.636 118.194 1.00 12.38 C ATOM 986 CD1 TRP A 131 10.886 80.934 116.899 1.00 15.46 C ATOM 987 CD2 TRP A 131 12.550 80.166 118.189 1.00 12.73 C ATOM 988 NE1 TRP A 131 11.984 80.738 116.097 1.00 15.62 N ATOM 989 CE2 TRP A 131 13.023 80.271 116.863 1.00 17.26 C ATOM 990 CE3 TRP A 131 13.423 79.675 119.184 1.00 13.74 C ATOM 991 CZ2 TRP A 131 14.350 79.961 116.512 1.00 17.57 C ATOM 992 CZ3 TRP A 131 14.744 79.404 118.842 1.00 15.56 C ATOM 993 CH2 TRP A 131 15.192 79.522 117.518 1.00 16.60 C ATOM 994 HE1 TRP A 131 12.022 80.915 115.073 1.00 0.00 H ATOM 995 H TRP A 131 11.866 80.969 121.770 1.00 0.00 H ATOM 996 N GLY A 132 8.492 82.628 121.494 1.00 13.04 N ATOM 997 CA GLY A 132 7.435 82.560 122.487 1.00 12.97 C ATOM 998 C GLY A 132 6.088 83.153 122.140 1.00 17.64 C ATOM 999 O GLY A 132 5.987 84.068 121.319 1.00 17.54 O ATOM 1000 H GLY A 132 8.563 83.453 120.865 1.00 0.00 H ATOM 1001 N TRP A 133 5.050 82.636 122.823 1.00 13.47 N ATOM 1002 CA TRP A 133 3.670 83.095 122.775 1.00 13.51 C ATOM 1003 C TRP A 133 3.378 83.800 124.083 1.00 18.66 C ATOM 1004 O TRP A 133 3.493 83.195 125.163 1.00 17.44 O ATOM 1005 CB TRP A 133 2.699 81.895 122.640 1.00 12.38 C ATOM 1006 CG TRP A 133 1.246 82.243 122.448 1.00 13.12 C ATOM 1007 CD1 TRP A 133 0.732 83.385 121.902 1.00 16.22 C ATOM 1008 CD2 TRP A 133 0.130 81.372 122.685 1.00 13.30 C ATOM 1009 NE1 TRP A 133 -0.647 83.311 121.863 1.00 16.11 N ATOM 1010 CE2 TRP A 133 -1.037 82.061 122.278 1.00 17.81 C ATOM 1011 CE3 TRP A 133 0.002 80.062 123.181 1.00 14.78 C ATOM 1012 CZ2 TRP A 133 -2.320 81.497 122.395 1.00 17.51 C ATOM 1013 CZ3 TRP A 133 -1.268 79.501 123.280 1.00 16.67 C ATOM 1014 CH2 TRP A 133 -2.406 80.209 122.870 1.00 17.58 C ATOM 1015 HE1 TRP A 133 -1.286 84.077 121.568 1.00 0.00 H ATOM 1016 H TRP A 133 5.254 81.829 123.446 1.00 0.00 H ATOM 1017 N ASP A 134 2.999 85.082 124.002 1.00 17.04 N ATOM 1018 CA ASP A 134 2.606 85.840 125.185 1.00 17.18 C ATOM 1019 C ASP A 134 1.204 85.306 125.481 1.00 21.18 C ATOM 1020 O ASP A 134 0.286 85.556 124.701 1.00 21.27 O ATOM 1021 CB ASP A 134 2.571 87.331 124.833 1.00 19.59 C ATOM 1022 CG ASP A 134 2.247 88.267 125.970 1.00 26.65 C ATOM 1023 OD1 ASP A 134 1.218 88.050 126.644 1.00 24.06 O ATOM 1024 OD2 ASP A 134 2.968 89.273 126.125 1.00 41.13 O ATOM 1025 H ASP A 134 2.984 85.549 123.073 1.00 0.00 H ATOM 1026 N ILE A 135 1.052 84.510 126.540 1.00 17.79 N ATOM 1027 CA ILE A 135 -0.245 83.868 126.836 1.00 18.59 C ATOM 1028 C ILE A 135 -1.267 84.859 127.457 1.00 25.18 C ATOM 1029 O ILE A 135 -2.434 84.512 127.636 1.00 25.68 O ATOM 1030 CB ILE A 135 -0.082 82.555 127.655 1.00 20.51 C ATOM 1031 CG1 ILE A 135 0.746 82.790 128.943 1.00 20.29 C ATOM 1032 CG2 ILE A 135 0.570 81.485 126.780 1.00 20.39 C ATOM 1033 CD1 ILE A 135 0.536 81.813 130.078 1.00 15.07 C ATOM 1034 H ILE A 135 1.862 84.338 127.169 1.00 0.00 H ATOM 1035 N GLY A 136 -0.839 86.094 127.693 1.00 21.51 N ATOM 1036 CA GLY A 136 -1.698 87.141 128.233 1.00 21.05 C ATOM 1037 C GLY A 136 -2.268 88.035 127.164 1.00 24.65 C ATOM 1038 O GLY A 136 -3.450 88.370 127.215 1.00 25.69 O ATOM 1039 H GLY A 136 0.153 86.324 127.483 1.00 0.00 H ATOM 1040 N ARG A 137 -1.453 88.371 126.150 1.00 21.29 N ATOM 1041 CA ARG A 137 -1.858 89.225 125.020 1.00 21.59 C ATOM 1042 C ARG A 137 -2.133 88.456 123.737 1.00 23.07 C ATOM 1043 O ARG A 137 -2.754 89.012 122.838 1.00 22.56 O ATOM 1044 CB ARG A 137 -0.817 90.332 124.740 1.00 23.27 C ATOM 1045 CG ARG A 137 -0.491 91.220 125.938 1.00 32.79 C ATOM 1046 CD ARG A 137 0.637 92.174 125.601 1.00 45.18 C ATOM 1047 NE ARG A 137 0.872 93.130 126.680 1.00 53.60 N ATOM 1048 CZ ARG A 137 1.699 92.924 127.701 1.00 60.81 C ATOM 1049 NH1 ARG A 137 2.389 91.789 127.789 1.00 46.58 N ATOM 1050 NH2 ARG A 137 1.842 93.847 128.643 1.00 33.28 N ATOM 1051 HE ARG A 137 0.358 94.033 126.648 1.00 0.00 H ATOM 1052 HH12 ARG A 137 3.034 91.633 128.590 1.00 0.00 H ATOM 1053 HH11 ARG A 137 2.283 91.058 127.057 1.00 0.00 H ATOM 1054 HH22 ARG A 137 2.490 93.681 129.439 1.00 0.00 H ATOM 1055 HH21 ARG A 137 1.306 94.736 128.585 1.00 0.00 H ATOM 1056 H ARG A 137 -0.479 88.007 126.164 1.00 0.00 H ATOM 1057 N GLY A 138 -1.673 87.202 123.659 1.00 16.59 N ATOM 1058 CA GLY A 138 -1.832 86.378 122.472 1.00 15.36 C ATOM 1059 C GLY A 138 -0.868 86.713 121.346 1.00 20.73 C ATOM 1060 O GLY A 138 -1.103 86.316 120.203 1.00 22.14 O ATOM 1061 H GLY A 138 -1.181 86.800 124.482 1.00 0.00 H ATOM 1062 N LYS A 139 0.210 87.468 121.635 1.00 16.37 N ATOM 1063 CA LYS A 139 1.176 87.882 120.614 1.00 15.15 C ATOM 1064 C LYS A 139 2.302 86.868 120.477 1.00 17.79 C ATOM 1065 O LYS A 139 2.712 86.286 121.479 1.00 16.36 O ATOM 1066 CB LYS A 139 1.772 89.259 120.960 1.00 17.10 C ATOM 1067 CG LYS A 139 0.921 90.430 120.515 1.00 24.00 C ATOM 1068 CD LYS A 139 1.557 91.743 120.927 1.00 36.16 C ATOM 1069 CE LYS A 139 0.907 92.957 120.289 1.00 52.98 C ATOM 1070 NZ LYS A 139 -0.468 93.207 120.802 1.00 61.23 N ATOM 1071 HZ1 LYS A 139 -1.067 92.381 120.601 1.00 0.00 H ATOM 1072 HZ2 LYS A 139 -0.430 93.368 121.829 1.00 0.00 H ATOM 1073 HZ3 LYS A 139 -0.864 94.047 120.333 1.00 0.00 H ATOM 1074 H LYS A 139 0.362 87.768 122.619 1.00 0.00 H ATOM 1075 N LEU A 140 2.846 86.703 119.251 1.00 13.79 N ATOM 1076 CA LEU A 140 4.001 85.815 119.051 1.00 12.64 C ATOM 1077 C LEU A 140 5.243 86.634 118.952 1.00 16.56 C ATOM 1078 O LEU A 140 5.251 87.633 118.241 1.00 15.08 O ATOM 1079 CB LEU A 140 3.896 84.965 117.791 1.00 11.91 C ATOM 1080 CG LEU A 140 2.822 83.956 117.747 1.00 15.57 C ATOM 1081 CD1 LEU A 140 2.787 83.322 116.372 1.00 16.52 C ATOM 1082 CD2 LEU A 140 2.975 82.956 118.856 1.00 17.00 C ATOM 1083 H LEU A 140 2.442 87.211 118.438 1.00 0.00 H ATOM 1084 N TYR A 141 6.303 86.181 119.623 1.00 14.71 N ATOM 1085 CA TYR A 141 7.603 86.832 119.649 1.00 14.84 C ATOM 1086 C TYR A 141 8.711 85.910 119.186 1.00 18.38 C ATOM 1087 O TYR A 141 8.848 84.789 119.677 1.00 16.85 O ATOM 1088 CB TYR A 141 7.935 87.313 121.065 1.00 17.10 C ATOM 1089 CG TYR A 141 6.940 88.287 121.652 1.00 22.30 C ATOM 1090 CD1 TYR A 141 6.998 89.648 121.347 1.00 26.23 C ATOM 1091 CD2 TYR A 141 5.991 87.868 122.575 1.00 22.50 C ATOM 1092 CE1 TYR A 141 6.098 90.553 121.913 1.00 28.02 C ATOM 1093 CE2 TYR A 141 5.111 88.766 123.166 1.00 23.46 C ATOM 1094 CZ TYR A 141 5.152 90.103 122.819 1.00 31.91 C ATOM 1095 OH TYR A 141 4.260 90.964 123.416 1.00 34.31 O ATOM 1096 HH TYR A 141 4.407 91.881 123.072 1.00 0.00 H ATOM 1097 H TYR A 141 6.192 85.301 120.165 1.00 0.00 H ATOM 1098 N HIS A 142 9.521 86.414 118.250 1.00 16.34 N ATOM 1099 CA HIS A 142 10.747 85.824 117.721 1.00 15.43 C ATOM 1100 C HIS A 142 11.553 86.979 117.138 1.00 21.22 C ATOM 1101 O HIS A 142 11.081 87.606 116.194 1.00 20.32 O ATOM 1102 CB HIS A 142 10.525 84.676 116.699 1.00 15.01 C ATOM 1103 CG HIS A 142 11.842 84.138 116.219 1.00 17.87 C ATOM 1104 ND1 HIS A 142 12.836 83.748 117.116 1.00 18.64 N ATOM 1105 CD2 HIS A 142 12.341 84.066 114.967 1.00 19.13 C ATOM 1106 CE1 HIS A 142 13.872 83.416 116.369 1.00 17.77 C ATOM 1107 NE2 HIS A 142 13.607 83.568 115.072 1.00 18.42 N ATOM 1108 H HIS A 142 9.246 87.334 117.852 1.00 0.00 H ATOM 1109 N GLN A 143 12.747 87.294 117.723 1.00 21.71 N ATOM 1110 CA GLN A 143 13.602 88.454 117.362 1.00 24.07 C ATOM 1111 C GLN A 143 12.720 89.737 117.358 1.00 32.97 C ATOM 1112 O GLN A 143 12.890 90.601 116.496 1.00 33.12 O ATOM 1113 CB GLN A 143 14.324 88.290 115.987 1.00 26.40 C ATOM 1114 CG GLN A 143 14.649 86.855 115.547 1.00 58.30 C ATOM 1115 CD GLN A 143 15.163 86.735 114.121 1.00 72.27 C ATOM 1116 OE1 GLN A 143 14.416 86.421 113.187 1.00 67.79 O ATOM 1117 NE2 GLN A 143 16.467 86.890 113.932 1.00 56.69 N ATOM 1118 HE22 GLN A 143 17.080 87.154 114.729 1.00 0.00 H ATOM 1119 HE21 GLN A 143 16.876 86.747 112.987 1.00 0.00 H ATOM 1120 H GLN A 143 13.085 86.670 118.484 1.00 0.00 H ATOM 1121 N SER A 144 11.737 89.816 118.283 1.00 34.66 N ATOM 1122 CA SER A 144 10.740 90.888 118.361 1.00 37.41 C ATOM 1123 C SER A 144 10.953 91.877 119.495 1.00 46.40 C ATOM 1124 O SER A 144 11.143 91.469 120.634 1.00 44.00 O ATOM 1125 CB SER A 144 9.335 90.302 118.495 1.00 41.24 C ATOM 1126 OG SER A 144 8.963 89.440 117.434 1.00 49.56 O ATOM 1127 HG SER A 144 9.594 88.678 117.393 1.00 0.00 H ATOM 1128 H SER A 144 11.684 89.058 118.993 1.00 0.00 H ATOM 1129 N LYS A 145 10.828 93.183 119.184 1.00 49.80 N ATOM 1130 CA LYS A 145 10.903 94.290 120.149 1.00 52.20 C ATOM 1131 C LYS A 145 9.584 94.361 120.952 1.00 60.05 C ATOM 1132 O LYS A 145 9.606 94.466 122.180 1.00 59.94 O ATOM 1133 CB LYS A 145 11.144 95.629 119.416 1.00 55.56 C ATOM 1134 H LYS A 145 10.666 93.426 118.186 1.00 0.00 H ATOM 1135 N GLY A 146 8.458 94.299 120.243 1.00 58.84 N ATOM 1136 CA GLY A 146 7.128 94.371 120.835 1.00 58.99 C ATOM 1137 C GLY A 146 6.058 94.798 119.845 1.00 63.05 C ATOM 1138 O GLY A 146 5.303 93.938 119.378 1.00 62.51 O ATOM 1139 H GLY A 146 8.532 94.193 119.211 1.00 0.00 H ATOM 1140 N PRO A 147 5.957 96.116 119.486 1.00 59.31 N ATOM 1141 CA PRO A 147 4.891 96.545 118.550 1.00 58.79 C ATOM 1142 C PRO A 147 4.912 95.834 117.198 1.00 59.27 C ATOM 1143 O PRO A 147 5.984 95.537 116.664 1.00 59.17 O ATOM 1144 CB PRO A 147 5.094 98.064 118.428 1.00 61.73 C ATOM 1145 CG PRO A 147 6.479 98.324 118.921 1.00 66.05 C ATOM 1146 CD PRO A 147 6.758 97.270 119.950 1.00 60.84 C ATOM 1147 N GLY A 148 3.720 95.508 116.703 1.00 52.60 N ATOM 1148 CA GLY A 148 3.531 94.804 115.437 1.00 50.19 C ATOM 1149 C GLY A 148 3.651 93.289 115.481 1.00 46.84 C ATOM 1150 O GLY A 148 3.580 92.646 114.424 1.00 46.50 O ATOM 1151 H GLY A 148 2.874 95.770 117.249 1.00 0.00 H ATOM 1152 N ALA A 149 3.827 92.695 116.691 1.00 36.85 N ATOM 1153 CA ALA A 149 3.942 91.236 116.840 1.00 33.69 C ATOM 1154 C ALA A 149 2.654 90.530 116.351 1.00 31.00 C ATOM 1155 O ALA A 149 1.568 91.050 116.574 1.00 30.44 O ATOM 1156 CB ALA A 149 4.257 90.860 118.279 1.00 33.85 C ATOM 1157 H ALA A 149 3.882 93.292 117.540 1.00 0.00 H ATOM 1158 N PRO A 150 2.743 89.439 115.567 1.00 22.42 N ATOM 1159 CA PRO A 150 1.501 88.814 115.076 1.00 20.61 C ATOM 1160 C PRO A 150 0.717 88.140 116.191 1.00 20.97 C ATOM 1161 O PRO A 150 1.285 87.621 117.147 1.00 19.60 O ATOM 1162 CB PRO A 150 1.990 87.790 114.054 1.00 22.10 C ATOM 1163 CG PRO A 150 3.379 87.435 114.510 1.00 25.79 C ATOM 1164 CD PRO A 150 3.945 88.673 115.164 1.00 21.62 C ATOM 1165 N GLN A 151 -0.591 88.160 116.048 1.00 17.44 N ATOM 1166 CA GLN A 151 -1.563 87.575 116.962 1.00 16.12 C ATOM 1167 C GLN A 151 -1.617 86.084 116.689 1.00 20.72 C ATOM 1168 O GLN A 151 -1.360 85.660 115.564 1.00 21.41 O ATOM 1169 CB GLN A 151 -2.932 88.224 116.685 1.00 16.88 C ATOM 1170 CG GLN A 151 -3.870 88.291 117.864 1.00 19.62 C ATOM 1171 CD GLN A 151 -3.301 88.948 119.113 1.00 34.08 C ATOM 1172 OE1 GLN A 151 -2.678 90.015 119.093 1.00 32.97 O ATOM 1173 NE2 GLN A 151 -3.569 88.346 120.242 1.00 22.96 N ATOM 1174 HE22 GLN A 151 -4.094 87.448 120.241 1.00 0.00 H ATOM 1175 HE21 GLN A 151 -3.257 88.765 121.141 1.00 0.00 H ATOM 1176 H GLN A 151 -0.966 88.638 115.204 1.00 0.00 H ATOM 1177 N TYR A 152 -1.866 85.280 117.727 1.00 17.86 N ATOM 1178 CA TYR A 152 -1.982 83.825 117.615 1.00 16.65 C ATOM 1179 C TYR A 152 -3.054 83.353 118.584 1.00 21.90 C ATOM 1180 O TYR A 152 -2.887 83.596 119.778 1.00 22.15 O ATOM 1181 CB TYR A 152 -0.650 83.131 117.906 1.00 15.63 C ATOM 1182 CG TYR A 152 -0.698 81.617 117.888 1.00 14.34 C ATOM 1183 CD1 TYR A 152 -0.655 80.910 116.692 1.00 13.70 C ATOM 1184 CD2 TYR A 152 -0.723 80.890 119.071 1.00 15.29 C ATOM 1185 CE1 TYR A 152 -0.663 79.517 116.675 1.00 9.13 C ATOM 1186 CE2 TYR A 152 -0.737 79.501 119.066 1.00 15.79 C ATOM 1187 CZ TYR A 152 -0.680 78.815 117.868 1.00 19.41 C ATOM 1188 OH TYR A 152 -0.638 77.436 117.903 1.00 19.08 O ATOM 1189 HH TYR A 152 -0.600 77.085 116.978 1.00 0.00 H ATOM 1190 H TYR A 152 -1.984 85.712 118.666 1.00 0.00 H ATOM 1191 N PRO A 153 -4.142 82.667 118.129 1.00 18.12 N ATOM 1192 CA PRO A 153 -4.530 82.372 116.721 1.00 17.37 C ATOM 1193 C PRO A 153 -4.673 83.684 115.927 1.00 23.43 C ATOM 1194 O PRO A 153 -5.093 84.694 116.490 1.00 22.11 O ATOM 1195 CB PRO A 153 -5.885 81.660 116.872 1.00 18.67 C ATOM 1196 CG PRO A 153 -5.900 81.130 118.292 1.00 21.86 C ATOM 1197 CD PRO A 153 -5.173 82.193 119.075 1.00 18.09 C ATOM 1198 N ALA A 154 -4.222 83.699 114.647 1.00 22.27 N ATOM 1199 CA ALA A 154 -4.238 84.885 113.783 1.00 22.12 C ATOM 1200 C ALA A 154 -5.646 85.336 113.557 1.00 25.57 C ATOM 1201 O ALA A 154 -6.511 84.496 113.366 1.00 24.67 O ATOM 1202 CB ALA A 154 -3.552 84.595 112.451 1.00 23.04 C ATOM 1203 H ALA A 154 -3.841 82.815 114.254 1.00 0.00 H ATOM 1204 N GLY A 155 -5.875 86.648 113.632 1.00 23.83 N ATOM 1205 CA GLY A 155 -7.197 87.234 113.427 1.00 24.25 C ATOM 1206 C GLY A 155 -8.051 87.390 114.669 1.00 29.04 C ATOM 1207 O GLY A 155 -9.243 87.684 114.549 1.00 30.95 O ATOM 1208 H GLY A 155 -5.078 87.281 113.846 1.00 0.00 H ATOM 1209 N THR A 156 -7.450 87.248 115.875 1.00 24.83 N ATOM 1210 CA THR A 156 -8.170 87.337 117.161 1.00 23.75 C ATOM 1211 C THR A 156 -7.902 88.637 117.966 1.00 30.44 C ATOM 1212 O THR A 156 -8.389 88.746 119.090 1.00 30.47 O ATOM 1213 CB THR A 156 -7.905 86.095 118.015 1.00 23.51 C ATOM 1214 OG1 THR A 156 -6.511 86.012 118.293 1.00 26.37 O ATOM 1215 CG2 THR A 156 -8.378 84.796 117.359 1.00 19.96 C ATOM 1216 HG1 THR A 156 -6.009 85.946 117.442 1.00 0.00 H ATOM 1217 H THR A 156 -6.426 87.067 115.896 1.00 0.00 H ATOM 1218 N GLN A 157 -7.125 89.603 117.425 1.00 29.26 N ATOM 1219 CA GLN A 157 -6.863 90.880 118.108 1.00 30.68 C ATOM 1220 C GLN A 157 -8.191 91.605 118.408 1.00 36.13 C ATOM 1221 O GLN A 157 -9.074 91.663 117.549 1.00 35.17 O ATOM 1222 CB GLN A 157 -5.982 91.785 117.249 1.00 32.94 C ATOM 1223 CG GLN A 157 -5.103 92.744 118.035 1.00 57.55 C ATOM 1224 CD GLN A 157 -4.096 93.418 117.130 1.00 85.90 C ATOM 1225 OE1 GLN A 157 -4.452 94.192 116.235 1.00 84.48 O ATOM 1226 NE2 GLN A 157 -2.812 93.138 117.343 1.00 78.28 N ATOM 1227 HE22 GLN A 157 -2.542 92.483 118.104 1.00 0.00 H ATOM 1228 HE21 GLN A 157 -2.079 93.575 116.748 1.00 0.00 H ATOM 1229 H GLN A 157 -6.697 89.437 116.492 1.00 0.00 H ATOM 1230 N GLY A 158 -8.313 92.119 119.631 1.00 34.44 N ATOM 1231 CA GLY A 158 -9.504 92.817 120.107 1.00 35.05 C ATOM 1232 C GLY A 158 -10.639 91.897 120.519 1.00 38.92 C ATOM 1233 O GLY A 158 -11.740 92.382 120.788 1.00 41.14 O ATOM 1234 H GLY A 158 -7.512 92.017 120.286 1.00 0.00 H ATOM 1235 N GLU A 159 -10.393 90.558 120.582 1.00 32.01 N ATOM 1236 CA GLU A 159 -11.424 89.583 120.975 1.00 30.50 C ATOM 1237 C GLU A 159 -11.314 89.175 122.461 1.00 33.70 C ATOM 1238 O GLU A 159 -12.091 88.345 122.929 1.00 33.69 O ATOM 1239 CB GLU A 159 -11.456 88.355 120.035 1.00 30.78 C ATOM 1240 CG GLU A 159 -11.582 88.657 118.548 1.00 40.31 C ATOM 1241 CD GLU A 159 -12.837 89.387 118.103 1.00 67.26 C ATOM 1242 OE1 GLU A 159 -13.822 88.710 117.731 1.00 50.15 O ATOM 1243 OE2 GLU A 159 -12.821 90.640 118.091 1.00 70.50 O ATOM 1244 H GLU A 159 -9.442 90.212 120.344 1.00 0.00 H ATOM 1245 N GLN A 160 -10.335 89.754 123.189 1.00 29.83 N ATOM 1246 CA GLN A 160 -10.070 89.537 124.616 1.00 28.88 C ATOM 1247 C GLN A 160 -10.058 88.055 125.006 1.00 31.30 C ATOM 1248 O GLN A 160 -10.650 87.657 126.009 1.00 30.23 O ATOM 1249 CB GLN A 160 -11.057 90.351 125.478 1.00 30.86 C ATOM 1250 CG GLN A 160 -10.598 91.781 125.751 1.00 42.48 C ATOM 1251 CD GLN A 160 -11.728 92.649 126.266 1.00 59.81 C ATOM 1252 OE1 GLN A 160 -12.783 92.803 125.627 1.00 53.62 O ATOM 1253 NE2 GLN A 160 -11.532 93.236 127.441 1.00 49.80 N ATOM 1254 HE22 GLN A 160 -10.639 93.089 127.953 1.00 0.00 H ATOM 1255 HE21 GLN A 160 -12.272 93.843 127.849 1.00 0.00 H ATOM 1256 H GLN A 160 -9.708 90.418 122.690 1.00 0.00 H ATOM 1257 N LEU A 161 -9.386 87.240 124.198 1.00 28.00 N ATOM 1258 CA LEU A 161 -9.251 85.809 124.451 1.00 27.29 C ATOM 1259 C LEU A 161 -8.480 85.556 125.735 1.00 32.64 C ATOM 1260 O LEU A 161 -7.744 86.442 126.214 1.00 32.38 O ATOM 1261 CB LEU A 161 -8.621 85.071 123.272 1.00 25.99 C ATOM 1262 CG LEU A 161 -9.336 85.207 121.944 1.00 31.88 C ATOM 1263 CD1 LEU A 161 -8.946 84.107 121.024 1.00 31.47 C ATOM 1264 CD2 LEU A 161 -10.874 85.248 122.110 1.00 37.34 C ATOM 1265 H LEU A 161 -8.937 87.640 123.349 1.00 0.00 H ATOM 1266 N GLU A 162 -8.697 84.370 126.318 1.00 28.90 N ATOM 1267 CA GLU A 162 -8.075 83.989 127.576 1.00 28.39 C ATOM 1268 C GLU A 162 -7.481 82.605 127.465 1.00 27.45 C ATOM 1269 O GLU A 162 -8.190 81.642 127.155 1.00 26.87 O ATOM 1270 CB GLU A 162 -9.139 84.006 128.678 1.00 31.05 C ATOM 1271 CG GLU A 162 -8.962 85.020 129.791 1.00 51.22 C ATOM 1272 CD GLU A 162 -10.161 84.997 130.726 1.00 93.34 C ATOM 1273 OE1 GLU A 162 -10.282 84.022 131.503 1.00 95.12 O ATOM 1274 OE2 GLU A 162 -11.020 85.906 130.627 1.00 93.39 O ATOM 1275 H GLU A 162 -9.336 83.694 125.852 1.00 0.00 H ATOM 1276 N VAL A 163 -6.181 82.494 127.735 1.00 21.12 N ATOM 1277 CA VAL A 163 -5.501 81.191 127.744 1.00 17.55 C ATOM 1278 C VAL A 163 -5.771 80.543 129.120 1.00 22.16 C ATOM 1279 O VAL A 163 -5.459 81.176 130.129 1.00 21.48 O ATOM 1280 CB VAL A 163 -3.994 81.295 127.411 1.00 17.69 C ATOM 1281 CG1 VAL A 163 -3.272 79.946 127.638 1.00 16.38 C ATOM 1282 CG2 VAL A 163 -3.800 81.772 125.975 1.00 16.31 C ATOM 1283 H VAL A 163 -5.633 83.352 127.945 1.00 0.00 H ATOM 1284 N PRO A 164 -6.370 79.319 129.201 1.00 19.17 N ATOM 1285 CA PRO A 164 -6.641 78.719 130.526 1.00 19.92 C ATOM 1286 C PRO A 164 -5.357 78.345 131.281 1.00 23.03 C ATOM 1287 O PRO A 164 -4.269 78.533 130.746 1.00 22.04 O ATOM 1288 CB PRO A 164 -7.508 77.492 130.173 1.00 21.86 C ATOM 1289 CG PRO A 164 -7.006 77.091 128.803 1.00 24.00 C ATOM 1290 CD PRO A 164 -6.811 78.420 128.113 1.00 19.85 C ATOM 1291 N GLU A 165 -5.483 77.812 132.507 1.00 20.13 N ATOM 1292 CA GLU A 165 -4.346 77.426 133.370 1.00 19.65 C ATOM 1293 C GLU A 165 -3.378 76.471 132.688 1.00 23.58 C ATOM 1294 O GLU A 165 -2.178 76.720 132.733 1.00 23.71 O ATOM 1295 CB GLU A 165 -4.833 76.864 134.724 1.00 21.14 C ATOM 1296 CG GLU A 165 -3.758 76.237 135.600 1.00 31.50 C ATOM 1297 CD GLU A 165 -4.079 76.142 137.082 1.00 60.82 C ATOM 1298 OE1 GLU A 165 -4.509 77.162 137.667 1.00 67.28 O ATOM 1299 OE2 GLU A 165 -3.844 75.063 137.673 1.00 56.87 O ATOM 1300 H GLU A 165 -6.444 77.661 132.874 1.00 0.00 H ATOM 1301 N ARG A 166 -3.890 75.400 132.060 1.00 20.15 N ATOM 1302 CA ARG A 166 -3.060 74.408 131.385 1.00 20.99 C ATOM 1303 C ARG A 166 -3.064 74.651 129.880 1.00 26.95 C ATOM 1304 O ARG A 166 -4.060 75.126 129.320 1.00 27.60 O ATOM 1305 CB ARG A 166 -3.520 72.957 131.692 1.00 22.20 C ATOM 1306 CG ARG A 166 -3.484 72.592 133.188 1.00 32.70 C ATOM 1307 CD ARG A 166 -3.753 71.127 133.439 1.00 44.55 C ATOM 1308 NE ARG A 166 -5.187 70.840 133.430 1.00 66.71 N ATOM 1309 CZ ARG A 166 -5.971 70.866 134.504 1.00 87.87 C ATOM 1310 NH1 ARG A 166 -5.464 71.142 135.700 1.00 85.75 N ATOM 1311 NH2 ARG A 166 -7.268 70.611 134.393 1.00 70.26 N ATOM 1312 HE ARG A 166 -5.625 70.598 132.518 1.00 0.00 H ATOM 1313 HH12 ARG A 166 -6.083 71.161 136.536 1.00 0.00 H ATOM 1314 HH11 ARG A 166 -4.448 71.340 135.801 1.00 0.00 H ATOM 1315 HH22 ARG A 166 -7.876 70.633 135.236 1.00 0.00 H ATOM 1316 HH21 ARG A 166 -7.677 70.389 133.463 1.00 0.00 H ATOM 1317 H ARG A 166 -4.922 75.272 132.055 1.00 0.00 H ATOM 1318 N LEU A 167 -1.933 74.348 129.242 1.00 20.72 N ATOM 1319 CA LEU A 167 -1.745 74.433 127.801 1.00 19.63 C ATOM 1320 C LEU A 167 -0.681 73.442 127.387 1.00 19.82 C ATOM 1321 O LEU A 167 0.253 73.166 128.141 1.00 18.95 O ATOM 1322 CB LEU A 167 -1.443 75.874 127.272 1.00 19.35 C ATOM 1323 CG LEU A 167 -0.059 76.490 127.534 1.00 22.45 C ATOM 1324 CD1 LEU A 167 0.314 77.480 126.441 1.00 21.51 C ATOM 1325 CD2 LEU A 167 -0.015 77.185 128.896 1.00 24.61 C ATOM 1326 H LEU A 167 -1.127 74.028 129.816 1.00 0.00 H ATOM 1327 N LEU A 168 -0.844 72.907 126.199 1.00 15.26 N ATOM 1328 CA LEU A 168 0.061 71.945 125.606 1.00 15.07 C ATOM 1329 C LEU A 168 0.951 72.676 124.582 1.00 19.84 C ATOM 1330 O LEU A 168 0.458 73.490 123.793 1.00 19.07 O ATOM 1331 CB LEU A 168 -0.742 70.778 124.992 1.00 14.85 C ATOM 1332 CG LEU A 168 0.043 69.625 124.366 1.00 20.76 C ATOM 1333 CD1 LEU A 168 0.716 68.773 125.424 1.00 21.67 C ATOM 1334 CD2 LEU A 168 -0.864 68.714 123.550 1.00 22.67 C ATOM 1335 H LEU A 168 -1.678 73.193 125.648 1.00 0.00 H ATOM 1336 N VAL A 169 2.263 72.428 124.662 1.00 16.10 N ATOM 1337 CA VAL A 169 3.289 72.990 123.773 1.00 15.84 C ATOM 1338 C VAL A 169 3.776 71.810 122.950 1.00 18.16 C ATOM 1339 O VAL A 169 4.176 70.789 123.515 1.00 17.33 O ATOM 1340 CB VAL A 169 4.483 73.685 124.508 1.00 20.02 C ATOM 1341 CG1 VAL A 169 5.333 74.475 123.526 1.00 19.76 C ATOM 1342 CG2 VAL A 169 4.012 74.585 125.649 1.00 19.68 C ATOM 1343 H VAL A 169 2.583 71.785 125.414 1.00 0.00 H ATOM 1344 N VAL A 170 3.663 71.929 121.620 1.00 14.73 N ATOM 1345 CA VAL A 170 3.992 70.888 120.659 1.00 14.03 C ATOM 1346 C VAL A 170 5.120 71.365 119.763 1.00 18.75 C ATOM 1347 O VAL A 170 4.939 72.261 118.926 1.00 18.61 O ATOM 1348 CB VAL A 170 2.757 70.456 119.812 1.00 18.07 C ATOM 1349 CG1 VAL A 170 3.044 69.181 119.025 1.00 17.20 C ATOM 1350 CG2 VAL A 170 1.491 70.301 120.670 1.00 18.03 C ATOM 1351 H VAL A 170 3.313 72.835 121.247 1.00 0.00 H ATOM 1352 N LEU A 171 6.273 70.727 119.908 1.00 14.42 N ATOM 1353 CA LEU A 171 7.436 71.000 119.078 1.00 13.31 C ATOM 1354 C LEU A 171 7.615 69.833 118.084 1.00 16.95 C ATOM 1355 O LEU A 171 7.821 68.698 118.515 1.00 16.19 O ATOM 1356 CB LEU A 171 8.665 71.156 119.983 1.00 12.30 C ATOM 1357 CG LEU A 171 9.934 71.673 119.322 1.00 14.82 C ATOM 1358 CD1 LEU A 171 9.773 73.105 118.873 1.00 14.39 C ATOM 1359 CD2 LEU A 171 11.129 71.505 120.244 1.00 9.63 C ATOM 1360 H LEU A 171 6.349 70.000 120.647 1.00 0.00 H ATOM 1361 N ASP A 172 7.470 70.102 116.766 1.00 15.57 N ATOM 1362 CA ASP A 172 7.660 69.080 115.724 1.00 16.73 C ATOM 1363 C ASP A 172 8.981 69.368 115.037 1.00 21.90 C ATOM 1364 O ASP A 172 9.043 70.261 114.186 1.00 22.22 O ATOM 1365 CB ASP A 172 6.501 69.039 114.702 1.00 18.92 C ATOM 1366 CG ASP A 172 6.608 67.946 113.628 1.00 34.66 C ATOM 1367 OD1 ASP A 172 7.636 67.212 113.607 1.00 34.11 O ATOM 1368 OD2 ASP A 172 5.656 67.805 112.824 1.00 44.42 O ATOM 1369 H ASP A 172 7.214 71.068 116.478 1.00 0.00 H ATOM 1370 N MET A 173 10.041 68.618 115.420 1.00 16.52 N ATOM 1371 CA MET A 173 11.380 68.802 114.877 1.00 15.89 C ATOM 1372 C MET A 173 11.571 68.095 113.517 1.00 23.17 C ATOM 1373 O MET A 173 12.544 68.359 112.831 1.00 22.98 O ATOM 1374 CB MET A 173 12.461 68.439 115.908 1.00 17.27 C ATOM 1375 CG MET A 173 12.605 69.471 117.029 1.00 19.67 C ATOM 1376 SD MET A 173 12.773 71.238 116.482 1.00 22.99 S ATOM 1377 CE MET A 173 14.450 71.250 115.990 1.00 18.78 C ATOM 1378 H MET A 173 9.893 67.877 116.134 1.00 0.00 H ATOM 1379 N GLU A 174 10.616 67.262 113.087 1.00 22.37 N ATOM 1380 CA GLU A 174 10.680 66.653 111.756 1.00 22.43 C ATOM 1381 C GLU A 174 10.294 67.694 110.703 1.00 28.47 C ATOM 1382 O GLU A 174 10.965 67.824 109.664 1.00 30.27 O ATOM 1383 CB GLU A 174 9.815 65.384 111.664 1.00 23.29 C ATOM 1384 CG GLU A 174 10.414 64.205 112.416 1.00 29.76 C ATOM 1385 CD GLU A 174 11.906 64.031 112.207 1.00 42.85 C ATOM 1386 OE1 GLU A 174 12.323 63.712 111.068 1.00 37.04 O ATOM 1387 OE2 GLU A 174 12.664 64.315 113.161 1.00 22.00 O ATOM 1388 H GLU A 174 9.813 67.043 113.710 1.00 0.00 H ATOM 1389 N GLU A 175 9.255 68.481 111.023 1.00 22.63 N ATOM 1390 CA GLU A 175 8.701 69.558 110.204 1.00 22.06 C ATOM 1391 C GLU A 175 9.268 70.945 110.553 1.00 23.94 C ATOM 1392 O GLU A 175 9.062 71.888 109.783 1.00 23.54 O ATOM 1393 CB GLU A 175 7.165 69.575 110.347 1.00 23.11 C ATOM 1394 CG GLU A 175 6.457 68.440 109.624 1.00 36.03 C ATOM 1395 CD GLU A 175 6.542 68.461 108.110 1.00 55.75 C ATOM 1396 OE1 GLU A 175 6.362 69.547 107.517 1.00 55.79 O ATOM 1397 OE2 GLU A 175 6.804 67.389 107.518 1.00 50.42 O ATOM 1398 H GLU A 175 8.800 68.308 111.942 1.00 0.00 H ATOM 1399 N GLY A 176 9.955 71.057 111.695 1.00 19.46 N ATOM 1400 CA GLY A 176 10.548 72.302 112.179 1.00 18.49 C ATOM 1401 C GLY A 176 9.518 73.345 112.570 1.00 22.52 C ATOM 1402 O GLY A 176 9.680 74.526 112.259 1.00 23.07 O ATOM 1403 H GLY A 176 10.075 70.203 112.276 1.00 0.00 H ATOM 1404 N THR A 177 8.444 72.918 113.238 1.00 18.63 N ATOM 1405 CA THR A 177 7.366 73.820 113.667 1.00 17.95 C ATOM 1406 C THR A 177 7.178 73.839 115.192 1.00 19.90 C ATOM 1407 O THR A 177 7.443 72.841 115.878 1.00 18.15 O ATOM 1408 CB THR A 177 5.998 73.422 113.048 1.00 17.72 C ATOM 1409 OG1 THR A 177 5.579 72.191 113.628 1.00 19.53 O ATOM 1410 CG2 THR A 177 6.007 73.320 111.520 1.00 11.45 C ATOM 1411 HG1 THR A 177 5.487 72.303 114.607 1.00 0.00 H ATOM 1412 H THR A 177 8.367 71.906 113.464 1.00 0.00 H ATOM 1413 N LEU A 178 6.623 74.949 115.698 1.00 15.89 N ATOM 1414 CA LEU A 178 6.229 75.043 117.093 1.00 15.45 C ATOM 1415 C LEU A 178 4.780 75.460 117.147 1.00 17.96 C ATOM 1416 O LEU A 178 4.399 76.489 116.571 1.00 18.21 O ATOM 1417 CB LEU A 178 7.115 75.974 117.924 1.00 16.24 C ATOM 1418 CG LEU A 178 6.612 76.268 119.347 1.00 21.03 C ATOM 1419 CD1 LEU A 178 6.680 75.018 120.215 1.00 21.49 C ATOM 1420 CD2 LEU A 178 7.386 77.415 119.957 1.00 20.69 C ATOM 1421 H LEU A 178 6.470 75.767 115.074 1.00 0.00 H ATOM 1422 N GLY A 179 3.985 74.633 117.810 1.00 13.03 N ATOM 1423 CA GLY A 179 2.557 74.854 117.987 1.00 12.18 C ATOM 1424 C GLY A 179 2.051 74.717 119.404 1.00 16.19 C ATOM 1425 O GLY A 179 2.779 74.322 120.311 1.00 15.59 O ATOM 1426 H GLY A 179 4.405 73.778 118.227 1.00 0.00 H ATOM 1427 N TYR A 180 0.782 75.042 119.598 1.00 15.00 N ATOM 1428 CA TYR A 180 0.128 74.994 120.901 1.00 13.75 C ATOM 1429 C TYR A 180 -1.223 74.331 120.784 1.00 18.49 C ATOM 1430 O TYR A 180 -1.883 74.436 119.751 1.00 18.34 O ATOM 1431 CB TYR A 180 -0.001 76.406 121.504 1.00 13.91 C ATOM 1432 CG TYR A 180 1.338 77.112 121.695 1.00 14.78 C ATOM 1433 CD1 TYR A 180 1.945 77.788 120.644 1.00 15.36 C ATOM 1434 CD2 TYR A 180 1.977 77.126 122.939 1.00 15.17 C ATOM 1435 CE1 TYR A 180 3.177 78.419 120.804 1.00 16.66 C ATOM 1436 CE2 TYR A 180 3.213 77.753 123.111 1.00 15.60 C ATOM 1437 CZ TYR A 180 3.803 78.410 122.038 1.00 20.36 C ATOM 1438 OH TYR A 180 4.979 79.090 122.168 1.00 15.60 O ATOM 1439 HH TYR A 180 4.870 79.811 122.838 1.00 0.00 H ATOM 1440 H TYR A 180 0.221 75.348 118.777 1.00 0.00 H ATOM 1441 N ALA A 181 -1.628 73.639 121.841 1.00 16.21 N ATOM 1442 CA ALA A 181 -2.930 72.988 121.919 1.00 16.77 C ATOM 1443 C ALA A 181 -3.617 73.422 123.215 1.00 22.02 C ATOM 1444 O ALA A 181 -2.962 73.521 124.258 1.00 21.11 O ATOM 1445 CB ALA A 181 -2.766 71.471 121.868 1.00 17.17 C ATOM 1446 H ALA A 181 -0.985 73.557 122.654 1.00 0.00 H ATOM 1447 N ILE A 182 -4.920 73.718 123.136 1.00 19.85 N ATOM 1448 CA ILE A 182 -5.751 74.178 124.260 1.00 20.10 C ATOM 1449 C ILE A 182 -7.028 73.340 124.312 1.00 26.09 C ATOM 1450 O ILE A 182 -7.821 73.352 123.375 1.00 26.49 O ATOM 1451 CB ILE A 182 -6.004 75.719 124.194 1.00 23.14 C ATOM 1452 CG1 ILE A 182 -4.693 76.466 124.521 1.00 24.64 C ATOM 1453 CG2 ILE A 182 -7.101 76.148 125.174 1.00 22.87 C ATOM 1454 CD1 ILE A 182 -4.611 77.800 124.076 1.00 35.33 C ATOM 1455 H ILE A 182 -5.380 73.615 122.209 1.00 0.00 H ATOM 1456 N GLY A 183 -7.186 72.612 125.408 1.00 23.57 N ATOM 1457 CA GLY A 183 -8.298 71.704 125.637 1.00 23.55 C ATOM 1458 C GLY A 183 -8.341 70.621 124.588 1.00 27.56 C ATOM 1459 O GLY A 183 -9.398 70.382 124.002 1.00 29.79 O ATOM 1460 H GLY A 183 -6.466 72.696 126.154 1.00 0.00 H ATOM 1461 N GLY A 184 -7.190 70.027 124.296 1.00 21.74 N ATOM 1462 CA GLY A 184 -7.092 68.975 123.284 1.00 22.09 C ATOM 1463 C GLY A 184 -7.239 69.423 121.832 1.00 26.37 C ATOM 1464 O GLY A 184 -7.438 68.584 120.946 1.00 26.31 O ATOM 1465 H GLY A 184 -6.330 70.319 124.803 1.00 0.00 H ATOM 1466 N THR A 185 -7.139 70.748 121.568 1.00 21.41 N ATOM 1467 CA THR A 185 -7.285 71.302 120.227 1.00 20.04 C ATOM 1468 C THR A 185 -6.061 72.040 119.800 1.00 21.33 C ATOM 1469 O THR A 185 -5.738 73.077 120.374 1.00 20.09 O ATOM 1470 CB THR A 185 -8.546 72.160 120.096 1.00 23.35 C ATOM 1471 OG1 THR A 185 -9.652 71.401 120.556 1.00 27.13 O ATOM 1472 CG2 THR A 185 -8.805 72.575 118.669 1.00 19.55 C ATOM 1473 HG1 THR A 185 -9.508 71.151 121.503 1.00 0.00 H ATOM 1474 H THR A 185 -6.950 71.399 122.357 1.00 0.00 H ATOM 1475 N TYR A 186 -5.407 71.523 118.754 1.00 18.22 N ATOM 1476 CA TYR A 186 -4.207 72.100 118.165 1.00 17.74 C ATOM 1477 C TYR A 186 -4.551 73.394 117.437 1.00 21.29 C ATOM 1478 O TYR A 186 -5.474 73.400 116.628 1.00 22.95 O ATOM 1479 CB TYR A 186 -3.539 71.091 117.229 1.00 18.95 C ATOM 1480 CG TYR A 186 -2.162 71.515 116.776 1.00 21.04 C ATOM 1481 CD1 TYR A 186 -1.147 71.758 117.698 1.00 22.33 C ATOM 1482 CD2 TYR A 186 -1.861 71.641 115.424 1.00 22.00 C ATOM 1483 CE1 TYR A 186 0.133 72.122 117.287 1.00 22.31 C ATOM 1484 CE2 TYR A 186 -0.589 72.029 115.004 1.00 22.40 C ATOM 1485 CZ TYR A 186 0.406 72.262 115.939 1.00 28.65 C ATOM 1486 OH TYR A 186 1.670 72.630 115.539 1.00 33.08 O ATOM 1487 HH TYR A 186 2.244 72.753 116.336 1.00 0.00 H ATOM 1488 H TYR A 186 -5.781 70.649 118.333 1.00 0.00 H ATOM 1489 N LEU A 187 -3.841 74.486 117.747 1.00 17.06 N ATOM 1490 CA LEU A 187 -4.118 75.796 117.156 1.00 18.38 C ATOM 1491 C LEU A 187 -3.434 76.011 115.826 1.00 24.25 C ATOM 1492 O LEU A 187 -3.749 76.974 115.129 1.00 25.79 O ATOM 1493 CB LEU A 187 -3.808 76.978 118.122 1.00 18.45 C ATOM 1494 CG LEU A 187 -4.373 76.932 119.568 1.00 22.57 C ATOM 1495 CD1 LEU A 187 -4.195 78.272 120.256 1.00 22.98 C ATOM 1496 CD2 LEU A 187 -5.828 76.498 119.600 1.00 22.08 C ATOM 1497 H LEU A 187 -3.064 74.400 118.433 1.00 0.00 H ATOM 1498 N GLY A 188 -2.570 75.079 115.450 1.00 20.74 N ATOM 1499 CA GLY A 188 -1.778 75.181 114.232 1.00 20.25 C ATOM 1500 C GLY A 188 -0.391 75.696 114.557 1.00 20.76 C ATOM 1501 O GLY A 188 -0.133 76.083 115.703 1.00 18.09 O ATOM 1502 H GLY A 188 -2.452 74.238 116.051 1.00 0.00 H ATOM 1503 N PRO A 189 0.552 75.660 113.593 1.00 16.73 N ATOM 1504 CA PRO A 189 1.914 76.153 113.895 1.00 16.03 C ATOM 1505 C PRO A 189 1.979 77.668 114.086 1.00 20.03 C ATOM 1506 O PRO A 189 1.556 78.413 113.194 1.00 20.63 O ATOM 1507 CB PRO A 189 2.753 75.727 112.670 1.00 16.87 C ATOM 1508 CG PRO A 189 1.778 75.456 111.614 1.00 21.40 C ATOM 1509 CD PRO A 189 0.430 75.186 112.201 1.00 16.96 C ATOM 1510 N ALA A 190 2.527 78.104 115.241 1.00 14.13 N ATOM 1511 CA ALA A 190 2.827 79.505 115.580 1.00 13.82 C ATOM 1512 C ALA A 190 4.144 79.928 114.889 1.00 16.58 C ATOM 1513 O ALA A 190 4.266 81.026 114.355 1.00 17.62 O ATOM 1514 CB ALA A 190 2.989 79.649 117.097 1.00 14.18 C ATOM 1515 H ALA A 190 2.758 77.385 115.956 1.00 0.00 H ATOM 1516 N PHE A 191 5.140 79.065 114.936 1.00 12.86 N ATOM 1517 CA PHE A 191 6.459 79.323 114.358 1.00 11.72 C ATOM 1518 C PHE A 191 6.854 78.155 113.461 1.00 18.49 C ATOM 1519 O PHE A 191 6.431 77.012 113.706 1.00 17.10 O ATOM 1520 CB PHE A 191 7.483 79.489 115.497 1.00 11.68 C ATOM 1521 CG PHE A 191 7.168 80.567 116.507 1.00 11.50 C ATOM 1522 CD1 PHE A 191 7.507 81.893 116.262 1.00 13.77 C ATOM 1523 CD2 PHE A 191 6.565 80.253 117.716 1.00 15.66 C ATOM 1524 CE1 PHE A 191 7.223 82.893 117.197 1.00 15.79 C ATOM 1525 CE2 PHE A 191 6.301 81.249 118.675 1.00 18.48 C ATOM 1526 CZ PHE A 191 6.643 82.563 118.411 1.00 16.60 C ATOM 1527 H PHE A 191 4.979 78.153 115.409 1.00 0.00 H ATOM 1528 N ARG A 192 7.649 78.446 112.411 1.00 18.18 N ATOM 1529 CA ARG A 192 8.157 77.449 111.449 1.00 19.09 C ATOM 1530 C ARG A 192 9.644 77.699 111.252 1.00 23.87 C ATOM 1531 O ARG A 192 10.167 78.657 111.828 1.00 23.38 O ATOM 1532 CB ARG A 192 7.431 77.535 110.088 1.00 18.96 C ATOM 1533 CG ARG A 192 6.008 78.065 110.140 1.00 30.86 C ATOM 1534 CD ARG A 192 5.326 78.078 108.798 1.00 36.11 C ATOM 1535 NE ARG A 192 4.705 76.781 108.534 1.00 50.37 N ATOM 1536 CZ ARG A 192 3.402 76.536 108.619 1.00 57.93 C ATOM 1537 NH1 ARG A 192 2.552 77.508 108.948 1.00 33.37 N ATOM 1538 NH2 ARG A 192 2.933 75.324 108.356 1.00 42.60 N ATOM 1539 HE ARG A 192 5.328 75.994 108.260 1.00 0.00 H ATOM 1540 HH12 ARG A 192 1.533 77.308 109.012 1.00 0.00 H ATOM 1541 HH11 ARG A 192 2.907 78.466 109.140 1.00 0.00 H ATOM 1542 HH22 ARG A 192 1.912 75.135 108.423 1.00 0.00 H ATOM 1543 HH21 ARG A 192 3.586 74.562 108.082 1.00 0.00 H ATOM 1544 H ARG A 192 7.922 79.439 112.270 1.00 0.00 H ATOM 1545 N GLY A 193 10.301 76.869 110.425 1.00 20.38 N ATOM 1546 CA GLY A 193 11.722 77.003 110.100 1.00 20.21 C ATOM 1547 C GLY A 193 12.671 76.681 111.239 1.00 23.43 C ATOM 1548 O GLY A 193 13.759 77.258 111.311 1.00 21.45 O ATOM 1549 H GLY A 193 9.770 76.087 109.991 1.00 0.00 H ATOM 1550 N LEU A 194 12.290 75.694 112.109 1.00 19.51 N ATOM 1551 CA LEU A 194 13.078 75.292 113.281 1.00 17.59 C ATOM 1552 C LEU A 194 14.042 74.123 113.061 1.00 23.80 C ATOM 1553 O LEU A 194 14.820 73.836 113.977 1.00 25.56 O ATOM 1554 CB LEU A 194 12.170 75.000 114.510 1.00 15.40 C ATOM 1555 CG LEU A 194 11.201 76.136 114.939 1.00 16.75 C ATOM 1556 CD1 LEU A 194 10.279 75.703 116.023 1.00 14.12 C ATOM 1557 CD2 LEU A 194 11.922 77.398 115.305 1.00 17.70 C ATOM 1558 H LEU A 194 11.392 75.201 111.929 1.00 0.00 H ATOM 1559 N LYS A 195 14.023 73.452 111.892 1.00 19.44 N ATOM 1560 CA LYS A 195 14.915 72.297 111.633 1.00 19.54 C ATOM 1561 C LYS A 195 16.391 72.693 111.821 1.00 24.40 C ATOM 1562 O LYS A 195 16.737 73.864 111.648 1.00 23.80 O ATOM 1563 CB LYS A 195 14.724 71.743 110.210 1.00 21.58 C ATOM 1564 CG LYS A 195 13.344 71.159 109.887 1.00 23.77 C ATOM 1565 CD LYS A 195 13.148 71.053 108.349 1.00 29.59 C ATOM 1566 CE LYS A 195 11.702 70.805 107.980 1.00 43.57 C ATOM 1567 NZ LYS A 195 11.418 71.042 106.536 1.00 46.19 N ATOM 1568 HZ1 LYS A 195 11.640 72.030 106.298 1.00 0.00 H ATOM 1569 HZ2 LYS A 195 12.004 70.405 105.960 1.00 0.00 H ATOM 1570 HZ3 LYS A 195 10.413 70.856 106.347 1.00 0.00 H ATOM 1571 H LYS A 195 13.362 73.754 111.148 1.00 0.00 H ATOM 1572 N GLY A 196 17.236 71.738 112.198 1.00 22.85 N ATOM 1573 CA GLY A 196 18.662 72.000 112.417 1.00 23.89 C ATOM 1574 C GLY A 196 18.992 72.712 113.718 1.00 28.77 C ATOM 1575 O GLY A 196 20.154 72.996 113.988 1.00 29.07 O ATOM 1576 H GLY A 196 16.874 70.774 112.342 1.00 0.00 H ATOM 1577 N ARG A 197 17.983 72.967 114.561 1.00 25.25 N ATOM 1578 CA ARG A 197 18.175 73.624 115.856 1.00 23.70 C ATOM 1579 C ARG A 197 18.002 72.636 117.009 1.00 25.50 C ATOM 1580 O ARG A 197 17.448 71.560 116.797 1.00 26.06 O ATOM 1581 CB ARG A 197 17.213 74.814 115.981 1.00 21.57 C ATOM 1582 CG ARG A 197 17.653 76.020 115.143 1.00 25.23 C ATOM 1583 CD ARG A 197 16.609 77.084 115.195 1.00 33.71 C ATOM 1584 NE ARG A 197 17.122 78.393 114.798 1.00 48.05 N ATOM 1585 CZ ARG A 197 16.680 79.085 113.749 1.00 70.12 C ATOM 1586 NH1 ARG A 197 15.733 78.583 112.962 1.00 42.05 N ATOM 1587 NH2 ARG A 197 17.186 80.280 113.476 1.00 73.92 N ATOM 1588 HE ARG A 197 17.882 78.812 115.372 1.00 0.00 H ATOM 1589 HH12 ARG A 197 15.393 79.129 112.145 1.00 0.00 H ATOM 1590 HH11 ARG A 197 15.333 77.645 113.164 1.00 0.00 H ATOM 1591 HH22 ARG A 197 16.838 80.817 112.656 1.00 0.00 H ATOM 1592 HH21 ARG A 197 17.931 80.680 114.082 1.00 0.00 H ATOM 1593 H ARG A 197 17.021 72.686 114.284 1.00 0.00 H ATOM 1594 N THR A 198 18.567 72.943 118.191 1.00 19.96 N ATOM 1595 CA THR A 198 18.373 72.129 119.406 1.00 18.50 C ATOM 1596 C THR A 198 17.598 73.026 120.340 1.00 20.91 C ATOM 1597 O THR A 198 18.110 74.072 120.775 1.00 20.40 O ATOM 1598 CB THR A 198 19.660 71.549 119.959 1.00 19.36 C ATOM 1599 OG1 THR A 198 20.302 70.847 118.914 1.00 20.23 O ATOM 1600 CG2 THR A 198 19.411 70.596 121.102 1.00 12.59 C ATOM 1601 HG1 THR A 198 21.148 70.457 119.251 1.00 0.00 H ATOM 1602 H THR A 198 19.166 73.791 118.251 1.00 0.00 H ATOM 1603 N LEU A 199 16.305 72.704 120.507 1.00 15.72 N ATOM 1604 CA LEU A 199 15.387 73.568 121.225 1.00 13.56 C ATOM 1605 C LEU A 199 14.932 72.968 122.506 1.00 16.89 C ATOM 1606 O LEU A 199 14.648 71.763 122.583 1.00 18.54 O ATOM 1607 CB LEU A 199 14.196 73.966 120.327 1.00 13.30 C ATOM 1608 CG LEU A 199 14.551 74.675 118.993 1.00 17.18 C ATOM 1609 CD1 LEU A 199 13.367 74.737 118.061 1.00 14.43 C ATOM 1610 CD2 LEU A 199 15.086 76.071 119.229 1.00 19.50 C ATOM 1611 H LEU A 199 15.952 71.810 120.110 1.00 0.00 H ATOM 1612 N TYR A 200 14.841 73.836 123.519 1.00 10.48 N ATOM 1613 CA TYR A 200 14.474 73.514 124.890 1.00 8.75 C ATOM 1614 C TYR A 200 13.132 74.140 125.296 1.00 13.18 C ATOM 1615 O TYR A 200 12.886 75.310 124.997 1.00 11.96 O ATOM 1616 CB TYR A 200 15.551 74.074 125.840 1.00 9.04 C ATOM 1617 CG TYR A 200 16.931 73.489 125.649 1.00 11.41 C ATOM 1618 CD1 TYR A 200 17.800 73.992 124.676 1.00 13.25 C ATOM 1619 CD2 TYR A 200 17.385 72.452 126.458 1.00 11.37 C ATOM 1620 CE1 TYR A 200 19.069 73.444 124.490 1.00 15.43 C ATOM 1621 CE2 TYR A 200 18.668 71.921 126.306 1.00 12.16 C ATOM 1622 CZ TYR A 200 19.499 72.407 125.311 1.00 17.15 C ATOM 1623 OH TYR A 200 20.740 71.853 125.134 1.00 11.14 O ATOM 1624 HH TYR A 200 21.268 71.957 125.965 1.00 0.00 H ATOM 1625 H TYR A 200 15.052 74.832 123.308 1.00 0.00 H ATOM 1626 N PRO A 201 12.293 73.442 126.079 1.00 11.17 N ATOM 1627 CA PRO A 201 11.106 74.118 126.639 1.00 10.10 C ATOM 1628 C PRO A 201 11.604 75.324 127.432 1.00 15.90 C ATOM 1629 O PRO A 201 12.664 75.250 128.081 1.00 14.11 O ATOM 1630 CB PRO A 201 10.546 73.092 127.619 1.00 10.70 C ATOM 1631 CG PRO A 201 11.037 71.762 127.089 1.00 16.50 C ATOM 1632 CD PRO A 201 12.425 72.062 126.598 1.00 12.53 C ATOM 1633 N ALA A 202 10.883 76.445 127.330 1.00 12.41 N ATOM 1634 CA ALA A 202 11.256 77.671 128.019 1.00 11.91 C ATOM 1635 C ALA A 202 10.037 78.527 128.295 1.00 18.61 C ATOM 1636 O ALA A 202 9.011 78.415 127.607 1.00 18.50 O ATOM 1637 CB ALA A 202 12.240 78.451 127.171 1.00 12.25 C ATOM 1638 H ALA A 202 10.027 76.441 126.739 1.00 0.00 H ATOM 1639 N VAL A 203 10.147 79.366 129.326 1.00 15.27 N ATOM 1640 CA VAL A 203 9.152 80.361 129.716 1.00 15.36 C ATOM 1641 C VAL A 203 9.931 81.553 130.267 1.00 17.61 C ATOM 1642 O VAL A 203 11.089 81.412 130.638 1.00 15.39 O ATOM 1643 CB VAL A 203 8.108 79.883 130.763 1.00 19.75 C ATOM 1644 CG1 VAL A 203 7.185 78.818 130.208 1.00 19.08 C ATOM 1645 CG2 VAL A 203 8.777 79.409 132.040 1.00 20.11 C ATOM 1646 H VAL A 203 11.013 79.307 129.899 1.00 0.00 H ATOM 1647 N SER A 204 9.289 82.698 130.348 1.00 14.39 N ATOM 1648 CA SER A 204 9.838 83.883 130.996 1.00 13.45 C ATOM 1649 C SER A 204 8.681 84.472 131.777 1.00 15.59 C ATOM 1650 O SER A 204 7.588 84.599 131.240 1.00 15.86 O ATOM 1651 CB SER A 204 10.462 84.860 129.998 1.00 13.92 C ATOM 1652 OG SER A 204 9.534 85.336 129.044 1.00 13.43 O ATOM 1653 HG SER A 204 8.797 85.807 129.508 1.00 0.00 H ATOM 1654 H SER A 204 8.340 82.761 129.928 1.00 0.00 H ATOM 1655 N ALA A 205 8.893 84.717 133.062 1.00 11.65 N ATOM 1656 CA ALA A 205 7.896 85.230 133.996 1.00 10.83 C ATOM 1657 C ALA A 205 8.342 86.520 134.713 1.00 14.90 C ATOM 1658 O ALA A 205 9.549 86.761 134.891 1.00 15.93 O ATOM 1659 CB ALA A 205 7.577 84.167 135.013 1.00 10.74 C ATOM 1660 H ALA A 205 9.846 84.529 133.434 1.00 0.00 H ATOM 1661 N VAL A 206 7.362 87.332 135.146 1.00 10.12 N ATOM 1662 CA VAL A 206 7.605 88.604 135.857 1.00 10.55 C ATOM 1663 C VAL A 206 6.941 88.620 137.254 1.00 17.98 C ATOM 1664 O VAL A 206 7.196 89.520 138.051 1.00 18.30 O ATOM 1665 CB VAL A 206 7.183 89.845 135.031 1.00 11.97 C ATOM 1666 CG1 VAL A 206 7.949 89.925 133.722 1.00 9.96 C ATOM 1667 CG2 VAL A 206 5.673 89.860 134.784 1.00 11.75 C ATOM 1668 H VAL A 206 6.377 87.049 134.970 1.00 0.00 H ATOM 1669 N TRP A 207 6.105 87.621 137.537 1.00 16.50 N ATOM 1670 CA TRP A 207 5.311 87.559 138.767 1.00 17.26 C ATOM 1671 C TRP A 207 6.038 86.986 139.976 1.00 22.80 C ATOM 1672 O TRP A 207 6.513 85.852 139.933 1.00 19.79 O ATOM 1673 CB TRP A 207 4.015 86.792 138.512 1.00 14.56 C ATOM 1674 CG TRP A 207 3.039 86.858 139.635 1.00 15.99 C ATOM 1675 CD1 TRP A 207 2.864 85.928 140.620 1.00 18.83 C ATOM 1676 CD2 TRP A 207 2.042 87.872 139.855 1.00 16.57 C ATOM 1677 NE1 TRP A 207 1.816 86.287 141.428 1.00 18.53 N ATOM 1678 CE2 TRP A 207 1.301 87.485 140.995 1.00 20.49 C ATOM 1679 CE3 TRP A 207 1.752 89.111 139.249 1.00 17.93 C ATOM 1680 CZ2 TRP A 207 0.235 88.257 141.496 1.00 20.55 C ATOM 1681 CZ3 TRP A 207 0.708 89.884 139.758 1.00 20.05 C ATOM 1682 CH2 TRP A 207 -0.042 89.454 140.860 1.00 20.97 C ATOM 1683 HE1 TRP A 207 1.466 85.739 142.240 1.00 0.00 H ATOM 1684 H TRP A 207 6.012 86.846 136.850 1.00 0.00 H ATOM 1685 N GLY A 208 6.061 87.783 141.049 1.00 22.17 N ATOM 1686 CA GLY A 208 6.620 87.411 142.340 1.00 21.83 C ATOM 1687 C GLY A 208 5.910 86.220 142.926 1.00 23.50 C ATOM 1688 O GLY A 208 4.693 86.255 143.114 1.00 21.23 O ATOM 1689 H GLY A 208 5.651 88.734 140.955 1.00 0.00 H ATOM 1690 N GLN A 209 6.676 85.129 143.139 1.00 20.80 N ATOM 1691 CA GLN A 209 6.226 83.838 143.686 1.00 21.85 C ATOM 1692 C GLN A 209 5.329 83.029 142.731 1.00 24.96 C ATOM 1693 O GLN A 209 4.570 82.180 143.199 1.00 25.01 O ATOM 1694 CB GLN A 209 5.564 83.990 145.079 1.00 24.55 C ATOM 1695 CG GLN A 209 6.463 84.687 146.098 1.00 36.75 C ATOM 1696 CD GLN A 209 5.786 84.841 147.419 1.00 47.36 C ATOM 1697 OE1 GLN A 209 6.103 84.139 148.376 1.00 49.59 O ATOM 1698 NE2 GLN A 209 4.883 85.799 147.513 1.00 29.83 N ATOM 1699 HE22 GLN A 209 4.643 86.371 146.678 1.00 0.00 H ATOM 1700 HE21 GLN A 209 4.411 85.982 148.422 1.00 0.00 H ATOM 1701 H GLN A 209 7.683 85.208 142.892 1.00 0.00 H ATOM 1702 N CYS A 210 5.461 83.224 141.404 1.00 21.26 N ATOM 1703 CA CYS A 210 4.698 82.428 140.450 1.00 21.24 C ATOM 1704 C CYS A 210 5.309 81.013 140.369 1.00 23.92 C ATOM 1705 O CYS A 210 6.521 80.867 140.510 1.00 21.55 O ATOM 1706 CB CYS A 210 4.637 83.097 139.083 1.00 22.40 C ATOM 1707 SG CYS A 210 6.201 83.094 138.173 1.00 26.70 S ATOM 1708 H CYS A 210 6.116 83.953 141.056 1.00 0.00 H ATOM 1709 N GLN A 211 4.460 79.978 140.195 1.00 20.78 N ATOM 1710 CA GLN A 211 4.881 78.577 140.121 1.00 19.42 C ATOM 1711 C GLN A 211 4.423 77.991 138.811 1.00 24.05 C ATOM 1712 O GLN A 211 3.222 77.876 138.566 1.00 25.38 O ATOM 1713 CB GLN A 211 4.362 77.759 141.318 1.00 20.54 C ATOM 1714 CG GLN A 211 4.993 78.176 142.647 1.00 26.97 C ATOM 1715 CD GLN A 211 4.312 77.609 143.872 1.00 45.42 C ATOM 1716 OE1 GLN A 211 3.180 77.103 143.843 1.00 44.20 O ATOM 1717 NE2 GLN A 211 4.985 77.708 144.995 1.00 32.01 N ATOM 1718 HE22 GLN A 211 5.933 78.136 144.997 1.00 0.00 H ATOM 1719 HE21 GLN A 211 4.570 77.359 145.882 1.00 0.00 H ATOM 1720 H GLN A 211 3.445 80.188 140.108 1.00 0.00 H ATOM 1721 N VAL A 212 5.387 77.659 137.949 1.00 18.96 N ATOM 1722 CA VAL A 212 5.100 77.121 136.638 1.00 17.03 C ATOM 1723 C VAL A 212 5.481 75.645 136.575 1.00 22.66 C ATOM 1724 O VAL A 212 6.637 75.287 136.823 1.00 21.66 O ATOM 1725 CB VAL A 212 5.729 77.969 135.508 1.00 18.22 C ATOM 1726 CG1 VAL A 212 5.247 77.470 134.150 1.00 17.06 C ATOM 1727 CG2 VAL A 212 5.383 79.455 135.680 1.00 17.61 C ATOM 1728 H VAL A 212 6.379 77.792 138.230 1.00 0.00 H ATOM 1729 N ARG A 213 4.492 74.789 136.256 1.00 19.86 N ATOM 1730 CA ARG A 213 4.714 73.357 136.164 1.00 19.34 C ATOM 1731 C ARG A 213 4.918 73.000 134.715 1.00 22.57 C ATOM 1732 O ARG A 213 4.302 73.606 133.842 1.00 23.95 O ATOM 1733 CB ARG A 213 3.510 72.556 136.673 1.00 20.53 C ATOM 1734 CG ARG A 213 2.942 72.901 138.027 1.00 24.82 C ATOM 1735 CD ARG A 213 2.297 71.629 138.567 1.00 27.46 C ATOM 1736 NE ARG A 213 2.742 71.342 139.935 1.00 44.92 N ATOM 1737 CZ ARG A 213 3.422 70.260 140.306 1.00 58.18 C ATOM 1738 NH1 ARG A 213 3.780 70.099 141.570 1.00 54.97 N ATOM 1739 NH2 ARG A 213 3.734 69.323 139.417 1.00 35.08 N ATOM 1740 HE ARG A 213 2.508 72.038 140.672 1.00 0.00 H ATOM 1741 HH12 ARG A 213 4.311 69.252 141.856 1.00 0.00 H ATOM 1742 HH11 ARG A 213 3.530 70.819 142.277 1.00 0.00 H ATOM 1743 HH22 ARG A 213 4.266 68.480 139.715 1.00 0.00 H ATOM 1744 HH21 ARG A 213 3.447 69.432 138.424 1.00 0.00 H ATOM 1745 H ARG A 213 3.540 75.165 136.070 1.00 0.00 H ATOM 1746 N ILE A 214 5.712 71.969 134.473 1.00 16.24 N ATOM 1747 CA ILE A 214 5.978 71.384 133.166 1.00 15.21 C ATOM 1748 C ILE A 214 5.781 69.869 133.337 1.00 18.16 C ATOM 1749 O ILE A 214 6.355 69.266 134.248 1.00 17.01 O ATOM 1750 CB ILE A 214 7.398 71.724 132.622 1.00 17.73 C ATOM 1751 CG1 ILE A 214 7.573 71.145 131.188 1.00 17.29 C ATOM 1752 CG2 ILE A 214 8.529 71.246 133.604 1.00 18.12 C ATOM 1753 CD1 ILE A 214 8.832 71.563 130.380 1.00 19.70 C ATOM 1754 H ILE A 214 6.189 71.538 135.290 1.00 0.00 H ATOM 1755 N ARG A 215 4.966 69.269 132.469 1.00 14.53 N ATOM 1756 CA ARG A 215 4.651 67.842 132.486 1.00 13.46 C ATOM 1757 C ARG A 215 4.877 67.313 131.066 1.00 19.28 C ATOM 1758 O ARG A 215 4.036 67.468 130.179 1.00 19.14 O ATOM 1759 CB ARG A 215 3.217 67.588 133.032 1.00 7.69 C ATOM 1760 CG ARG A 215 2.872 66.098 133.134 1.00 10.49 C ATOM 1761 CD ARG A 215 1.529 65.816 133.770 1.00 13.09 C ATOM 1762 NE ARG A 215 0.384 66.293 132.984 1.00 19.00 N ATOM 1763 CZ ARG A 215 -0.416 65.527 132.243 1.00 31.80 C ATOM 1764 NH1 ARG A 215 -0.173 64.226 132.110 1.00 14.06 N ATOM 1765 NH2 ARG A 215 -1.446 66.061 131.605 1.00 19.96 N ATOM 1766 HE ARG A 215 0.181 67.313 133.008 1.00 0.00 H ATOM 1767 HH12 ARG A 215 -0.803 63.636 131.530 1.00 0.00 H ATOM 1768 HH11 ARG A 215 0.647 63.799 132.586 1.00 0.00 H ATOM 1769 HH22 ARG A 215 -2.068 65.460 131.028 1.00 0.00 H ATOM 1770 HH21 ARG A 215 -1.633 67.081 131.681 1.00 0.00 H ATOM 1771 H ARG A 215 4.525 69.855 131.731 1.00 0.00 H ATOM 1772 N TYR A 216 6.072 66.767 130.846 1.00 16.22 N ATOM 1773 CA TYR A 216 6.514 66.233 129.566 1.00 15.91 C ATOM 1774 C TYR A 216 5.714 64.981 129.215 1.00 20.66 C ATOM 1775 O TYR A 216 5.502 64.130 130.071 1.00 19.75 O ATOM 1776 CB TYR A 216 8.025 65.947 129.643 1.00 17.45 C ATOM 1777 CG TYR A 216 8.604 65.350 128.386 1.00 18.82 C ATOM 1778 CD1 TYR A 216 8.837 66.139 127.259 1.00 19.73 C ATOM 1779 CD2 TYR A 216 8.945 63.998 128.325 1.00 20.41 C ATOM 1780 CE1 TYR A 216 9.400 65.598 126.104 1.00 21.64 C ATOM 1781 CE2 TYR A 216 9.515 63.445 127.174 1.00 21.28 C ATOM 1782 CZ TYR A 216 9.747 64.251 126.071 1.00 29.95 C ATOM 1783 OH TYR A 216 10.295 63.708 124.937 1.00 33.69 O ATOM 1784 HH TYR A 216 10.394 64.413 124.249 1.00 0.00 H ATOM 1785 H TYR A 216 6.736 66.719 131.645 1.00 0.00 H ATOM 1786 N LEU A 217 5.285 64.862 127.947 1.00 18.66 N ATOM 1787 CA LEU A 217 4.404 63.786 127.513 1.00 17.33 C ATOM 1788 C LEU A 217 4.949 62.888 126.392 1.00 22.26 C ATOM 1789 O LEU A 217 4.275 61.940 125.990 1.00 23.60 O ATOM 1790 CB LEU A 217 3.057 64.429 127.121 1.00 17.20 C ATOM 1791 CG LEU A 217 2.239 64.981 128.302 1.00 20.50 C ATOM 1792 CD1 LEU A 217 1.423 66.165 127.894 1.00 21.23 C ATOM 1793 CD2 LEU A 217 1.396 63.890 128.968 1.00 17.68 C ATOM 1794 H LEU A 217 5.594 65.566 127.247 1.00 0.00 H ATOM 1795 N GLY A 218 6.179 63.121 125.955 1.00 18.86 N ATOM 1796 CA GLY A 218 6.794 62.295 124.921 1.00 19.57 C ATOM 1797 C GLY A 218 7.342 63.097 123.763 1.00 24.97 C ATOM 1798 O GLY A 218 7.311 64.324 123.820 1.00 25.29 O ATOM 1799 H GLY A 218 6.719 63.912 126.359 1.00 0.00 H ATOM 1800 N GLU A 219 7.887 62.460 122.710 1.00 24.19 N ATOM 1801 CA GLU A 219 7.982 61.012 122.476 1.00 29.33 C ATOM 1802 C GLU A 219 9.250 60.384 123.085 1.00 41.81 C ATOM 1803 O GLU A 219 10.174 61.139 123.462 1.00 45.73 O ATOM 1804 CB GLU A 219 7.845 60.695 120.964 1.00 31.07 C ATOM 1805 CG GLU A 219 9.070 61.015 120.108 1.00 46.72 C ATOM 1806 CD GLU A 219 9.098 60.329 118.752 1.00 75.34 C ATOM 1807 OE1 GLU A 219 9.271 59.088 118.715 1.00 70.92 O ATOM 1808 OE2 GLU A 219 8.961 61.032 117.723 1.00 69.98 O ATOM 1809 OXT GLU A 219 9.304 59.140 123.196 1.00 60.96 O ATOM 1810 H GLU A 219 8.291 63.068 121.970 1.00 0.00 H TER 1811 GLU A 219 HETATM 1812 O HOH 1 15.072 68.798 112.192 1.00 36.14 O HETATM 1813 O HOH 2 -4.879 84.825 128.613 1.00 29.16 O HETATM 1814 O HOH 3 8.091 87.347 129.999 1.00 13.98 O HETATM 1815 O HOH 4 -7.152 90.136 110.930 1.00 21.83 O HETATM 1816 O HOH 5 4.857 86.077 134.895 1.00 17.55 O HETATM 1817 O HOH 6 21.611 69.989 126.829 1.00 22.10 O HETATM 1818 O HOH 7 7.446 75.814 126.920 1.00 14.18 O HETATM 1819 O HOH 8 -3.230 90.521 110.988 1.00 24.53 O HETATM 1820 O HOH 9 4.191 62.633 131.865 1.00 39.84 O HETATM 1821 O HOH 10 -3.272 81.378 113.665 1.00 14.85 O HETATM 1822 O HOH 11 15.320 65.442 139.183 1.00 32.41 O HETATM 1823 O HOH 12 -5.521 79.663 137.630 1.00 56.99 O HETATM 1824 O HOH 13 1.669 70.964 133.672 1.00 31.34 O HETATM 1825 O HOH 14 24.243 77.632 133.717 1.00 29.67 O HETATM 1826 O HOH 15 13.180 69.524 128.582 1.00 16.37 O HETATM 1827 O HOH 16 4.266 71.895 115.984 1.00 11.85 O HETATM 1828 O HOH 17 7.939 67.153 132.926 1.00 17.37 O HETATM 1829 O HOH 18 22.130 76.355 128.238 1.00 34.11 O HETATM 1830 O HOH 19 19.171 73.118 130.099 1.00 12.02 O HETATM 1831 O HOH 20 -2.012 87.594 137.151 1.00 44.57 O HETATM 1832 O HOH 21 -9.067 83.580 112.968 1.00 32.03 O HETATM 1833 O HOH 22 3.416 58.200 134.030 1.00 26.27 O HETATM 1834 O HOH 23 10.992 80.914 113.190 1.00 36.71 O HETATM 1835 O HOH 24 4.926 67.564 135.899 1.00 34.70 O HETATM 1836 O HOH 25 0.842 77.742 142.494 1.00 34.84 O HETATM 1837 O HOH 26 -10.528 72.760 122.811 1.00 17.21 O HETATM 1838 O HOH 27 20.786 74.886 121.692 1.00 9.36 O HETATM 1839 O HOH 28 15.914 60.424 136.792 1.00 26.88 O HETATM 1840 O HOH 29 -4.632 70.685 125.181 1.00 25.21 O HETATM 1841 O HOH 30 16.948 68.540 139.067 1.00 37.41 O HETATM 1842 O HOH 31 16.970 75.896 141.344 1.00 27.87 O HETATM 1843 O HOH 32 21.163 77.948 137.123 1.00 44.24 O HETATM 1844 O HOH 33 -3.787 84.985 131.038 1.00 28.29 O HETATM 1845 O HOH 34 15.507 84.933 125.551 1.00 17.42 O HETATM 1846 O HOH 35 -0.191 60.386 127.517 1.00 51.03 O HETATM 1847 O HOH 36 10.151 57.328 137.867 1.00 31.91 O HETATM 1848 O HOH 37 13.965 98.471 134.794 1.00 37.97 O HETATM 1849 O HOH 38 7.646 98.942 135.773 1.00 37.63 O HETATM 1850 O HOH 39 20.099 88.667 141.877 1.00 42.39 O HETATM 1851 O HOH 40 6.374 84.379 151.253 1.00 45.17 O HETATM 1852 O HOH 41 -5.888 81.650 113.078 1.00 43.73 O HETATM 1853 O HOH 42 18.791 89.627 138.904 1.00 29.88 O HETATM 1854 O HOH 43 -6.643 74.322 132.165 1.00 25.19 O HETATM 1855 O HOH 44 5.716 72.423 107.798 1.00 29.67 O HETATM 1856 O HOH 45 18.907 79.912 140.469 1.00 33.56 O HETATM 1857 O HOH 46 19.930 68.083 125.949 1.00 36.57 O HETATM 1858 O HOH 47 -4.740 81.519 139.444 1.00 39.54 O HETATM 1859 O HOH 48 5.534 74.016 147.818 1.00 41.24 O HETATM 1860 O HOH 49 8.259 81.369 111.836 1.00 21.93 O HETATM 1861 O HOH 50 16.006 65.210 119.778 1.00 25.90 O HETATM 1862 O HOH 51 20.576 75.311 118.167 1.00 24.79 O HETATM 1863 O HOH 52 4.765 59.150 124.702 1.00 26.81 O HETATM 1864 O HOH 53 20.649 69.234 135.703 1.00 31.46 O HETATM 1865 O HOH 54 11.705 70.670 146.215 1.00 28.70 O HETATM 1866 O HOH 55 3.469 74.147 144.861 1.00 40.04 O HETATM 1867 O HOH 56 3.387 91.479 111.513 1.00 38.20 O HETATM 1868 O HOH 57 22.605 79.379 132.367 1.00 30.53 O HETATM 1869 O HOH 58 -6.086 86.987 121.613 1.00 34.17 O HETATM 1870 O HOH 59 20.766 80.253 138.536 1.00 35.59 O HETATM 1871 O HOH 60 -4.579 91.305 126.643 1.00 48.00 O HETATM 1872 O HOH 61 13.037 61.231 113.939 1.00 34.60 O HETATM 1873 O HOH 62 8.050 93.165 125.505 1.00 26.83 O HETATM 1874 O HOH 63 6.159 64.504 112.577 1.00 40.71 O HETATM 1875 O HOH 64 22.405 74.198 116.011 1.00 49.61 O HETATM 1876 O HOH 65 19.897 92.988 130.593 1.00 21.90 O HETATM 1877 O HOH 66 22.647 78.435 119.625 1.00 26.63 O HETATM 1878 O HOH 67 2.631 74.131 141.649 1.00 30.59 O HETATM 1879 O HOH 68 13.392 93.357 144.919 1.00 30.90 O HETATM 1880 O HOH 69 -4.637 79.315 112.992 1.00 24.48 O HETATM 1881 O HOH 70 12.955 88.360 110.949 1.00 29.15 O HETATM 1882 O HOH 71 5.447 95.619 126.491 1.00 44.17 O HETATM 1883 O HOH 72 -6.678 87.497 129.176 1.00 48.65 O HETATM 1884 O HOH 73 -7.747 91.876 123.436 1.00 20.74 O HETATM 1885 O HOH 74 -6.042 89.956 123.181 1.00 42.25 O HETATM 1886 O HOH 75 15.206 62.976 123.718 1.00 39.91 O HETATM 1887 O HOH 76 15.495 60.110 114.219 1.00 42.43 O HETATM 1888 O HOH 77 -6.081 60.657 123.216 1.00 36.44 O HETATM 1889 O HOH 78 -5.245 92.051 121.537 1.00 36.66 O HETATM 1890 O HOH 79 15.284 93.302 123.039 1.00 40.10 O HETATM 1891 O HOH 80 20.622 63.574 129.584 1.00 31.21 O HETATM 1892 O HOH 81 -4.929 73.734 112.932 1.00 27.77 O HETATM 1893 O HOH 82 -3.081 77.538 111.485 1.00 19.35 O HETATM 1894 O HOH 83 -2.473 94.758 127.317 1.00 30.52 O HETATM 1895 O HOH 84 23.338 79.257 117.251 1.00 16.94 O HETATM 1896 O HOH 85 14.083 69.673 145.369 1.00 53.64 O HETATM 1897 O HOH 86 -7.343 78.219 115.847 1.00 33.97 O HETATM 1898 O HOH 87 -7.198 74.969 113.465 1.00 17.80 O HETATM 1899 O HOH 88 20.716 77.462 116.257 1.00 48.01 O HETATM 1900 O HOH 89 -7.942 83.675 138.476 1.00 45.17 O HETATM 1901 O HOH 90 11.583 85.826 109.904 1.00 27.89 O HETATM 1902 O HOH 91 6.395 85.008 113.189 1.00 40.40 O HETATM 1903 O HOH 92 -5.321 81.565 109.749 1.00 26.47 O HETATM 1904 O HOH 93 9.056 84.986 112.592 1.00 33.82 O HETATM 1905 O HOH 94 -3.912 74.350 110.553 1.00 25.72 O HETATM 1906 O HOH 95 23.617 77.019 113.552 1.00 22.70 O HETATM 1907 O HOH 96 -9.290 79.302 111.735 1.00 43.35 O HETATM 1908 O HOH 97 7.499 86.347 110.875 1.00 36.45 O HETATM 1909 O HOH 98 -1.392 93.349 140.102 1.00 25.72 O HETATM 1910 O HOH 99 5.598 89.424 146.534 1.00 23.12 O HETATM 1911 O HOH 100 3.666 98.923 139.953 1.00 32.79 O HETATM 1912 O HOH 101 6.466 97.849 146.364 1.00 28.17 O HETATM 1913 O HOH 102 -0.183 92.865 136.579 1.00 38.35 O HETATM 1914 O HOH 103 11.301 95.502 148.193 1.00 38.94 O HETATM 1915 N TRP A 104 5.064 95.350 146.617 1.00 -0.10 N HETATM 1916 CA TRP A 104 3.659 95.414 146.188 1.00 0.29 C HETATM 1917 C TRP A 104 3.438 96.114 144.843 1.00 0.26 C HETATM 1918 O TRP A 104 2.368 96.700 144.628 1.00 -0.34 O HETATM 1919 N TRP A 104 4.406 95.993 143.907 1.00 -0.26 N HETATM 1920 CA TRP A 104 4.265 96.582 142.590 1.00 0.14 C HETATM 1921 C TRP A 104 3.219 95.785 141.737 1.00 0.21 C HETATM 1922 O TRP A 104 2.631 94.793 142.201 1.00 -0.39 O HETATM 1923 N TRP A 104 2.939 96.267 140.532 1.00 -0.26 N HETATM 1924 CA TRP A 104 1.948 95.656 139.634 1.00 0.13 C HETATM 1925 C TRP A 104 2.168 94.100 139.438 1.00 0.20 C HETATM 1926 O TRP A 104 1.196 93.357 139.293 1.00 -0.39 O HETATM 1927 N TRP A 104 3.438 93.627 139.492 1.00 -0.26 N HETATM 1928 CA TRP A 104 3.804 92.223 139.283 1.00 0.15 C HETATM 1929 C TRP A 104 4.101 91.455 140.558 1.00 0.21 C HETATM 1930 O TRP A 104 4.777 90.411 140.507 1.00 -0.39 O HETATM 1931 N TRP A 104 3.554 91.937 141.708 1.00 -0.26 N HETATM 1932 CA TRP A 104 3.712 91.283 143.011 1.00 0.15 C HETATM 1933 C TRP A 104 5.202 91.170 143.423 1.00 0.21 C HETATM 1934 O TRP A 104 5.662 90.129 143.909 1.00 -0.39 O HETATM 1935 N TRP A 104 5.955 92.257 143.209 1.00 -0.26 N HETATM 1936 CA TRP A 104 7.375 92.285 143.548 1.00 0.15 C HETATM 1937 C TRP A 104 7.647 93.539 144.350 1.00 0.20 C HETATM 1938 O TRP A 104 7.112 94.588 143.985 1.00 -0.39 O HETATM 1939 N TRP A 104 8.262 93.637 145.577 1.00 -0.28 N HETATM 1940 CB TRP A 104 8.183 94.781 146.548 1.00 0.05 C HETATM 1941 CA TRP A 104 7.151 94.575 147.656 1.00 0.06 C HETATM 1942 C TRP A 104 5.767 94.290 147.120 1.00 0.21 C HETATM 1943 O TRP A 104 5.307 93.144 147.121 1.00 -0.40 O HETATM 1944 H45 TRP A 104 7.109 95.486 148.271 1.00 0.05 H HETATM 1945 H46 TRP A 104 7.469 93.726 148.279 1.00 0.05 H HETATM 1946 H43 TRP A 104 7.918 95.692 145.991 1.00 0.05 H HETATM 1947 H44 TRP A 104 9.171 94.911 147.013 1.00 0.05 H HETATM 1948 H42 TRP A 104 8.825 92.859 145.854 1.00 0.19 H HETATM 1949 CB TRP A 104 8.215 92.309 142.274 1.00 0.08 C HETATM 1950 CG TRP A 104 8.075 91.096 141.407 1.00 0.18 C HETATM 1951 OD1 TRP A 104 8.317 89.962 141.841 1.00 -0.40 O HETATM 1952 ND2 TRP A 104 7.837 91.328 140.124 1.00 -0.30 N HETATM 1953 H40 TRP A 104 7.732 90.563 139.488 1.00 0.18 H HETATM 1954 H41 TRP A 104 7.762 92.268 139.791 1.00 0.18 H HETATM 1955 H38 TRP A 104 9.272 92.403 142.563 1.00 0.06 H HETATM 1956 H39 TRP A 104 7.917 93.188 141.684 1.00 0.06 H HETATM 1957 H37 TRP A 104 7.633 91.397 144.143 1.00 0.08 H HETATM 1958 H36 TRP A 104 5.534 93.070 142.807 1.00 0.19 H HETATM 1959 CB TRP A 104 3.001 89.929 143.003 1.00 0.08 C HETATM 1960 CG TRP A 104 2.789 89.312 144.359 1.00 0.18 C HETATM 1961 OD1 TRP A 104 2.331 89.947 145.314 1.00 -0.40 O HETATM 1962 ND2 TRP A 104 3.072 88.023 144.456 1.00 -0.30 N HETATM 1963 H34 TRP A 104 2.954 87.549 145.329 1.00 0.18 H HETATM 1964 H35 TRP A 104 3.404 87.522 143.656 1.00 0.18 H HETATM 1965 H32 TRP A 104 3.603 89.232 142.401 1.00 0.06 H HETATM 1966 H33 TRP A 104 2.016 90.064 142.532 1.00 0.06 H HETATM 1967 H31 TRP A 104 3.215 91.913 143.763 1.00 0.08 H HETATM 1968 H30 TRP A 104 3.017 92.780 141.662 1.00 0.19 H HETATM 1969 CB TRP A 104 4.963 92.121 138.280 1.00 0.08 C HETATM 1970 CG TRP A 104 4.486 92.343 136.858 1.00 0.18 C HETATM 1971 OD1 TRP A 104 3.431 91.828 136.455 1.00 -0.40 O HETATM 1972 ND2 TRP A 104 5.267 93.070 136.047 1.00 -0.30 N HETATM 1973 H28 TRP A 104 4.987 93.239 135.102 1.00 0.18 H HETATM 1974 H29 TRP A 104 6.130 93.444 136.387 1.00 0.18 H HETATM 1975 H26 TRP A 104 5.413 91.120 138.354 1.00 0.06 H HETATM 1976 H27 TRP A 104 5.718 92.882 138.527 1.00 0.06 H HETATM 1977 H25 TRP A 104 2.932 91.735 138.823 1.00 0.08 H HETATM 1978 H24 TRP A 104 4.172 94.278 139.687 1.00 0.19 H HETATM 1979 CB TRP A 104 1.935 96.463 138.297 1.00 -0.00 C HETATM 1980 CG1 TRP A 104 0.745 96.079 137.408 1.00 -0.05 C HETATM 1981 CD1 TRP A 104 0.497 97.010 136.234 1.00 -0.06 C HETATM 1982 H21 TRP A 104 -0.371 96.653 135.660 1.00 0.02 H HETATM 1983 H22 TRP A 104 1.385 97.025 135.584 1.00 0.02 H HETATM 1984 H23 TRP A 104 0.298 98.025 136.607 1.00 0.02 H HETATM 1985 H16 TRP A 104 -0.160 96.070 138.034 1.00 0.03 H HETATM 1986 H17 TRP A 104 0.927 95.069 137.011 1.00 0.03 H HETATM 1987 CG2 TRP A 104 3.289 96.367 137.532 1.00 -0.06 C HETATM 1988 H18 TRP A 104 4.111 96.650 138.205 1.00 0.02 H HETATM 1989 H19 TRP A 104 3.271 97.048 136.668 1.00 0.02 H HETATM 1990 H20 TRP A 104 3.440 95.335 137.182 1.00 0.02 H HETATM 1991 H15 TRP A 104 1.800 97.520 138.568 1.00 0.03 H HETATM 1992 H14 TRP A 104 0.959 95.775 140.100 1.00 0.08 H HETATM 1993 H13 TRP A 104 3.425 97.084 140.221 1.00 0.19 H HETATM 1994 CB TRP A 104 5.657 96.793 141.911 1.00 0.04 C HETATM 1995 CG TRP A 104 6.321 95.631 141.160 1.00 0.04 C HETATM 1996 OD1 TRP A 104 5.888 94.474 141.335 1.00 -0.57 O HETATM 1997 OD2 TRP A 104 7.271 95.887 140.407 1.00 -0.57 O HETATM 1998 H11 TRP A 104 6.355 97.101 142.703 1.00 0.05 H HETATM 1999 H12 TRP A 104 5.538 97.613 141.188 1.00 0.05 H HETATM 2000 H10 TRP A 104 3.841 97.587 142.732 1.00 0.08 H HETATM 2001 H9 TRP A 104 5.239 95.485 144.128 1.00 0.19 H HETATM 2002 CB TRP A 104 2.757 96.030 147.265 1.00 0.03 C HETATM 2003 CG TRP A 104 3.156 97.409 147.682 1.00 -0.04 C HETATM 2004 CD1 TRP A 104 2.688 98.595 147.186 1.00 0.02 C HETATM 2005 NE1 TRP A 104 3.269 99.645 147.854 1.00 -0.29 N HETATM 2006 CE2 TRP A 104 4.164 99.149 148.772 1.00 0.06 C HETATM 2007 CD2 TRP A 104 4.094 97.741 148.710 1.00 -0.02 C HETATM 2008 CE3 TRP A 104 4.904 96.976 149.575 1.00 -0.07 C HETATM 2009 CZ3 TRP A 104 5.713 97.635 150.489 1.00 -0.08 C HETATM 2010 CH2 TRP A 104 5.763 99.035 150.527 1.00 -0.08 C HETATM 2011 CZ2 TRP A 104 5.001 99.814 149.674 1.00 -0.04 C HETATM 2012 H6 TRP A 104 5.051 100.897 149.704 1.00 0.05 H HETATM 2013 H8 TRP A 104 6.416 99.520 151.243 1.00 0.05 H HETATM 2014 H7 TRP A 104 6.315 97.059 151.183 1.00 0.05 H HETATM 2015 H5 TRP A 104 4.894 95.893 149.526 1.00 0.05 H HETATM 2016 H4 TRP A 104 3.067 100.642 147.693 1.00 0.22 H HETATM 2017 H3 TRP A 104 1.962 98.692 146.380 1.00 0.08 H HETATM 2018 H1 TRP A 104 2.785 95.380 148.152 1.00 0.04 H HETATM 2019 H2 TRP A 104 1.730 96.072 146.873 1.00 0.04 H HETATM 2020 OXT TRP A 104 5.060 95.196 146.667 1.00 -0.21 O CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1915 1916 1942 2020 CONECT 1916 1915 1917 2002 2020 CONECT 1917 1916 1918 1919 CONECT 1918 1917 CONECT 1919 1917 1920 2001 CONECT 1920 1919 1921 1994 2000 CONECT 1921 1920 1922 1923 CONECT 1922 1921 CONECT 1923 1921 1924 1993 CONECT 1924 1923 1925 1979 1992 CONECT 1925 1924 1926 1927 CONECT 1926 1925 CONECT 1927 1925 1928 1978 CONECT 1928 1927 1929 1969 1977 CONECT 1929 1928 1930 1931 CONECT 1930 1929 CONECT 1931 1929 1932 1968 CONECT 1932 1931 1933 1959 1967 CONECT 1933 1932 1934 1935 CONECT 1934 1933 CONECT 1935 1933 1936 1958 CONECT 1936 1935 1937 1949 1957 CONECT 1937 1936 1938 1939 CONECT 1938 1937 CONECT 1939 1937 1940 1948 CONECT 1940 1939 1941 1946 1947 CONECT 1941 1940 1942 1944 1945 CONECT 1942 1915 1941 1943 CONECT 1943 1942 CONECT 1944 1941 CONECT 1945 1941 CONECT 1946 1940 CONECT 1947 1940 CONECT 1948 1939 CONECT 1949 1936 1950 1955 1956 CONECT 1950 1949 1951 1952 CONECT 1951 1950 CONECT 1952 1950 1953 1954 CONECT 1953 1952 CONECT 1954 1952 CONECT 1955 1949 CONECT 1956 1949 CONECT 1957 1936 CONECT 1958 1935 CONECT 1959 1932 1960 1965 1966 CONECT 1960 1959 1961 1962 CONECT 1961 1960 CONECT 1962 1960 1963 1964 CONECT 1963 1962 CONECT 1964 1962 CONECT 1965 1959 CONECT 1966 1959 CONECT 1967 1932 CONECT 1968 1931 CONECT 1969 1928 1970 1975 1976 CONECT 1970 1969 1971 1972 CONECT 1971 1970 CONECT 1972 1970 1973 1974 CONECT 1973 1972 CONECT 1974 1972 CONECT 1975 1969 CONECT 1976 1969 CONECT 1977 1928 CONECT 1978 1927 CONECT 1979 1924 1980 1987 1991 CONECT 1980 1979 1981 1985 1986 CONECT 1981 1980 1982 1983 1984 CONECT 1982 1981 CONECT 1983 1981 CONECT 1984 1981 CONECT 1985 1980 CONECT 1986 1980 CONECT 1987 1979 1988 1989 1990 CONECT 1988 1987 CONECT 1989 1987 CONECT 1990 1987 CONECT 1991 1979 CONECT 1992 1924 CONECT 1993 1923 CONECT 1994 1920 1995 1998 1999 CONECT 1995 1994 1996 1997 CONECT 1996 1995 CONECT 1997 1995 CONECT 1998 1994 CONECT 1999 1994 CONECT 2000 1920 CONECT 2001 1919 CONECT 2002 1916 2003 2018 2019 CONECT 2003 2002 2004 2007 CONECT 2004 2003 2005 2017 CONECT 2005 2004 2006 2016 CONECT 2006 2005 2007 2011 CONECT 2007 2003 2006 2008 CONECT 2008 2007 2009 2015 CONECT 2009 2008 2010 2014 CONECT 2010 2009 2011 2013 CONECT 2011 2006 2010 2012 CONECT 2012 2011 CONECT 2013 2010 CONECT 2014 2009 CONECT 2015 2008 CONECT 2016 2005 CONECT 2017 2004 CONECT 2018 2002 CONECT 2019 2002 CONECT 2020 1915 1916 MASTER 0 0 0 0 0 0 0 0 2019 1 109 15 END
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Entry Information
PDB ID
6dn5
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SPRY domain-containing SOCS box protein 2
Ligand Name
7-mer
EC.Number
E.C.-.-.-.-
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Kd=32nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ACS Chem. Biol. Vol. 13: pp. 2930-2938
Ligand Properties
Formula
C
3
6
H
4
7
N
1
1
O
1
3
Molecular Weight
841.824
Exact Mass
841.335
No. of atoms
107
No. of bonds
110
Polar Surface Area
389.57
LOGP Value
-3.30 (
Computed with XLOGP3
)
-0.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 4
Canonical SMILES
CC[C@@H]([C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@@]2(Cc3c[nH]c4c3cccc4)ON2C(=O)CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)N)CC(=O)N)CC(=O)N)C
InChI String
InChI=1S/C36H47N11O13/c1-3-16(2)29-34(58)44-22(12-26(39)50)32(56)43-21(11-25(38)49)31(55)42-20(10-24(37)48)30(54)40-9-8-27(51)47-36(60-47,14-17-15-41-19-7-5-4-6-18(17)19)35(59)45-23(13-28(52)53)33(57)46-29/h4-7,15-16,20-23,29,41H,3,8-14H2,1-2H3,(H2,37,48)(H2,38,49)(H2,39,50)(H,40,54)(H,42,55)(H,43,56)(H,44,58)(H,45,59)(H,46,57)(H,52,53)/t16-,20-,21-,22-,23-,29-,36+,47?/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q99619
Entrez Gene ID
NCBI Entrez Gene ID:
84727
ASD
Information of known allosteric effects of PDB entries
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