Browse entries in the PDBbind-CN Database
HEADER 5JR2_COMPLEX COMPND 5JR2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 179 GLY PRO GLY ASN GLU VAL THR LEU LEU ASP SER ARG SER SEQRES 2 A 179 VAL GLN GLY GLU LEU GLY TRP ILE ALA SER PRO LEU GLU SEQRES 3 A 179 GLY GLY TRP GLU GLU VAL SER ILE MET ASP GLU LYS ASN SEQRES 4 A 179 THR PRO ILE ARG THR TYR GLN VAL CYS ASN VAL MET GLU SEQRES 5 A 179 PRO SER GLN ASN ASN TRP LEU ARG THR ASP TRP ILE THR SEQRES 6 A 179 ARG GLU GLY ALA GLN ARG VAL TYR ILE GLU ILE LYS PHE SEQRES 7 A 179 THR LEU ARG ASP CYS ASN SER LEU PRO GLY VAL MET GLY SEQRES 8 A 179 THR CYS LYS GLU THR PHE ASN LEU TYR TYR TYR GLU SER SEQRES 9 A 179 ASP ASN ASP LYS GLU ARG PHE ILE ARG GLU ASN GLN PHE SEQRES 10 A 179 VAL LYS ILE ASP THR ILE ALA ALA ASP GLU SER PHE THR SEQRES 11 A 179 GLN VAL ASP ILE GLY ASP ARG ILE MET LYS LEU ASN THR SEQRES 12 A 179 GLU ILE ARG ASP VAL GLY PRO LEU SER LYS LYS GLY PHE SEQRES 13 A 179 TYR LEU ALA PHE GLN ASP VAL GLY ALA CYS ILE ALA LEU SEQRES 14 A 179 VAL SER VAL ARG VAL PHE TYR LYS LYS ALA HET BAL A 357 187 SSBOND 1 CYS A 108 CYS A 118 SSBOND 2 CYS A 73 CYS A 191 ATOM 1 N GLY A 26 -4.194 -2.219 115.739 1.00 43.16 N ATOM 2 CA GLY A 26 -3.522 -3.344 116.441 1.00 43.20 C ATOM 3 C GLY A 26 -2.433 -2.848 117.377 1.00 43.79 C ATOM 4 O GLY A 26 -2.282 -1.641 117.570 1.00 40.49 O ATOM 5 HN3 GLY A 26 -3.493 -1.693 115.179 1.00 0.00 H ATOM 6 HN2 GLY A 26 -4.627 -1.584 116.440 1.00 0.00 H ATOM 7 HN1 GLY A 26 -4.931 -2.596 115.109 1.00 0.00 H ATOM 8 N PRO A 27 -1.664 -3.779 117.963 1.00 47.06 N ATOM 9 CA PRO A 27 -0.549 -3.441 118.849 1.00 45.40 C ATOM 10 C PRO A 27 0.351 -2.333 118.318 1.00 43.64 C ATOM 11 O PRO A 27 0.843 -1.529 119.107 1.00 43.59 O ATOM 12 CB PRO A 27 0.226 -4.751 118.950 1.00 46.88 C ATOM 13 CG PRO A 27 -0.828 -5.799 118.813 1.00 49.55 C ATOM 14 CD PRO A 27 -1.856 -5.241 117.862 1.00 47.80 C ATOM 15 N GLY A 28 0.544 -2.278 117.004 1.00 38.30 N ATOM 16 CA GLY A 28 1.330 -1.209 116.369 1.00 37.54 C ATOM 17 C GLY A 28 0.917 0.214 116.699 1.00 35.10 C ATOM 18 O GLY A 28 1.763 1.095 116.783 1.00 37.75 O ATOM 19 H GLY A 28 0.125 -3.017 116.404 1.00 0.00 H ATOM 20 N ASN A 29 -0.387 0.434 116.872 1.00 32.63 N ATOM 21 CA ASN A 29 -0.938 1.747 117.167 1.00 30.51 C ATOM 22 C ASN A 29 -1.274 1.952 118.655 1.00 27.22 C ATOM 23 O ASN A 29 -1.770 3.014 119.055 1.00 25.98 O ATOM 24 CB ASN A 29 -2.224 1.920 116.351 1.00 32.69 C ATOM 25 CG ASN A 29 -2.884 3.253 116.600 1.00 34.11 C ATOM 26 OD1 ASN A 29 -2.225 4.294 116.548 1.00 38.71 O ATOM 27 ND2 ASN A 29 -4.185 3.236 116.884 1.00 33.77 N ATOM 28 HD22 ASN A 29 -4.698 2.332 116.916 1.00 0.00 H ATOM 29 HD21 ASN A 29 -4.688 4.127 117.074 1.00 0.00 H ATOM 30 H ASN A 29 -1.040 -0.371 116.792 1.00 0.00 H ATOM 31 N GLU A 30 -1.019 0.924 119.456 1.00 24.53 N ATOM 32 CA GLU A 30 -1.321 0.952 120.883 1.00 22.85 C ATOM 33 C GLU A 30 -0.042 1.119 121.636 1.00 22.43 C ATOM 34 O GLU A 30 1.004 0.589 121.237 1.00 23.74 O ATOM 35 CB GLU A 30 -1.993 -0.333 121.316 1.00 22.96 C ATOM 36 CG GLU A 30 -3.343 -0.519 120.675 1.00 22.91 C ATOM 37 CD GLU A 30 -3.920 -1.892 120.895 1.00 25.16 C ATOM 38 OE1 GLU A 30 -3.355 -2.709 121.670 1.00 25.11 O ATOM 39 OE2 GLU A 30 -4.986 -2.133 120.314 1.00 27.47 O ATOM 40 H GLU A 30 -0.588 0.068 119.051 1.00 0.00 H ATOM 41 N VAL A 31 -0.112 1.866 122.723 1.00 19.14 N ATOM 42 CA VAL A 31 0.978 1.951 123.637 1.00 18.89 C ATOM 43 C VAL A 31 0.475 1.380 124.943 1.00 17.42 C ATOM 44 O VAL A 31 -0.526 1.871 125.521 1.00 16.14 O ATOM 45 CB VAL A 31 1.407 3.397 123.850 1.00 19.83 C ATOM 46 CG1 VAL A 31 2.516 3.484 124.893 1.00 21.60 C ATOM 47 CG2 VAL A 31 1.867 3.988 122.526 1.00 20.78 C ATOM 48 H VAL A 31 -0.981 2.404 122.916 1.00 0.00 H ATOM 49 N THR A 32 1.158 0.355 125.438 1.00 16.56 N ATOM 50 CA THR A 32 0.761 -0.283 126.689 1.00 16.02 C ATOM 51 C THR A 32 1.258 0.519 127.889 1.00 16.07 C ATOM 52 O THR A 32 2.425 0.924 127.948 1.00 17.29 O ATOM 53 CB THR A 32 1.324 -1.725 126.744 1.00 16.92 C ATOM 54 OG1 THR A 32 0.787 -2.467 125.657 1.00 17.42 O ATOM 55 CG2 THR A 32 0.970 -2.408 128.045 1.00 16.61 C ATOM 56 HG1 THR A 32 1.141 -3.391 125.683 1.00 0.00 H ATOM 57 H THR A 32 1.991 0.000 124.925 1.00 0.00 H ATOM 58 N LEU A 33 0.355 0.773 128.824 1.00 14.87 N ATOM 59 CA LEU A 33 0.627 1.459 130.070 1.00 14.86 C ATOM 60 C LEU A 33 0.783 0.487 131.257 1.00 15.26 C ATOM 61 O LEU A 33 1.498 0.779 132.218 1.00 16.40 O ATOM 62 CB LEU A 33 -0.498 2.461 130.366 1.00 14.54 C ATOM 63 CG LEU A 33 -0.693 3.588 129.358 1.00 14.48 C ATOM 64 CD1 LEU A 33 -1.867 4.468 129.766 1.00 13.60 C ATOM 65 CD2 LEU A 33 0.572 4.416 129.242 1.00 15.61 C ATOM 66 H LEU A 33 -0.620 0.457 128.651 1.00 0.00 H ATOM 67 N LEU A 34 0.077 -0.632 131.204 1.00 14.58 N ATOM 68 CA LEU A 34 0.128 -1.675 132.239 1.00 15.67 C ATOM 69 C LEU A 34 -0.246 -2.963 131.548 1.00 15.15 C ATOM 70 O LEU A 34 -1.225 -3.012 130.793 1.00 15.04 O ATOM 71 CB LEU A 34 -0.863 -1.409 133.380 1.00 16.40 C ATOM 72 CG LEU A 34 -1.011 -2.463 134.493 1.00 17.61 C ATOM 73 CD1 LEU A 34 0.307 -2.749 135.124 1.00 18.98 C ATOM 74 CD2 LEU A 34 -1.994 -2.050 135.574 1.00 19.03 C ATOM 75 H LEU A 34 -0.547 -0.781 130.386 1.00 0.00 H ATOM 76 N ASP A 35 0.488 -4.016 131.816 1.00 15.53 N ATOM 77 CA ASP A 35 0.045 -5.346 131.413 1.00 16.04 C ATOM 78 C ASP A 35 0.442 -6.324 132.507 1.00 15.02 C ATOM 79 O ASP A 35 1.603 -6.632 132.702 1.00 15.26 O ATOM 80 CB ASP A 35 0.661 -5.734 130.083 1.00 18.49 C ATOM 81 CG ASP A 35 0.103 -7.021 129.538 1.00 21.77 C ATOM 82 OD1 ASP A 35 -0.592 -7.761 130.259 1.00 25.23 O ATOM 83 OD2 ASP A 35 0.360 -7.298 128.353 1.00 27.67 O ATOM 84 H ASP A 35 1.391 -3.902 132.319 1.00 0.00 H ATOM 85 N SER A 36 -0.545 -6.821 133.230 1.00 13.82 N ATOM 86 CA SER A 36 -0.288 -7.711 134.361 1.00 13.80 C ATOM 87 C SER A 36 0.416 -8.985 133.930 1.00 14.83 C ATOM 88 O SER A 36 1.119 -9.613 134.726 1.00 15.00 O ATOM 89 CB SER A 36 -1.587 -8.055 135.096 1.00 13.13 C ATOM 90 OG SER A 36 -2.445 -8.860 134.291 1.00 12.20 O ATOM 91 HG SER A 36 -1.982 -9.704 134.059 1.00 0.00 H ATOM 92 H SER A 36 -1.526 -6.574 132.990 1.00 0.00 H ATOM 93 N ARG A 37 0.251 -9.379 132.674 1.00 15.33 N ATOM 94 CA ARG A 37 0.892 -10.591 132.176 1.00 18.01 C ATOM 95 C ARG A 37 2.387 -10.441 131.963 1.00 20.18 C ATOM 96 O ARG A 37 3.094 -11.446 131.872 1.00 21.29 O ATOM 97 CB ARG A 37 0.252 -11.052 130.859 1.00 19.56 C ATOM 98 CG ARG A 37 -1.191 -11.532 131.014 1.00 20.71 C ATOM 99 CD ARG A 37 -1.312 -12.854 131.752 1.00 21.84 C ATOM 100 NE ARG A 37 -0.865 -13.937 130.878 1.00 24.90 N ATOM 101 CZ ARG A 37 0.279 -14.583 130.940 1.00 26.54 C ATOM 102 NH1 ARG A 37 1.200 -14.349 131.892 1.00 28.43 N ATOM 103 NH2 ARG A 37 0.517 -15.501 130.002 1.00 28.73 N ATOM 104 HE ARG A 37 -1.522 -14.228 130.126 1.00 0.00 H ATOM 105 HH12 ARG A 37 2.090 -14.887 131.898 1.00 0.00 H ATOM 106 HH11 ARG A 37 1.022 -13.630 132.622 1.00 0.00 H ATOM 107 HH22 ARG A 37 1.409 -16.036 130.012 1.00 0.00 H ATOM 108 HH21 ARG A 37 -0.189 -15.682 129.260 1.00 0.00 H ATOM 109 H ARG A 37 -0.345 -8.815 132.035 1.00 0.00 H ATOM 110 N SER A 38 2.880 -9.216 131.864 1.00 20.98 N ATOM 111 CA SER A 38 4.279 -8.996 131.536 1.00 24.07 C ATOM 112 C SER A 38 5.086 -8.524 132.747 1.00 24.57 C ATOM 113 O SER A 38 6.289 -8.289 132.632 1.00 26.41 O ATOM 114 CB SER A 38 4.399 -8.013 130.367 1.00 25.35 C ATOM 115 OG SER A 38 4.045 -6.726 130.787 1.00 28.38 O ATOM 116 HG SER A 38 3.111 -6.732 131.114 1.00 0.00 H ATOM 117 H SER A 38 2.257 -8.399 132.023 1.00 0.00 H ATOM 118 N VAL A 39 4.459 -8.472 133.919 1.00 23.47 N ATOM 119 CA VAL A 39 5.157 -8.099 135.144 1.00 25.40 C ATOM 120 C VAL A 39 6.021 -9.275 135.602 1.00 28.24 C ATOM 121 O VAL A 39 5.555 -10.418 135.624 1.00 29.68 O ATOM 122 CB VAL A 39 4.163 -7.712 136.239 1.00 24.10 C ATOM 123 CG1 VAL A 39 4.853 -7.550 137.597 1.00 25.20 C ATOM 124 CG2 VAL A 39 3.418 -6.443 135.838 1.00 24.26 C ATOM 125 H VAL A 39 3.446 -8.703 133.963 1.00 0.00 H ATOM 126 N GLN A 40 7.268 -8.998 135.953 1.00 32.03 N ATOM 127 CA GLN A 40 8.163 -10.022 136.521 1.00 37.48 C ATOM 128 C GLN A 40 8.022 -10.090 138.034 1.00 34.47 C ATOM 129 O GLN A 40 8.151 -9.072 138.704 1.00 33.69 O ATOM 130 CB GLN A 40 9.603 -9.685 136.184 1.00 41.83 C ATOM 131 CG GLN A 40 10.629 -10.675 136.706 1.00 47.78 C ATOM 132 CD GLN A 40 11.976 -10.519 136.038 1.00 52.82 C ATOM 133 OE1 GLN A 40 12.310 -9.460 135.500 1.00 57.26 O ATOM 134 NE2 GLN A 40 12.770 -11.577 136.078 1.00 57.90 N ATOM 135 HE22 GLN A 40 12.449 -12.451 136.542 1.00 0.00 H ATOM 136 HE21 GLN A 40 13.715 -11.535 135.646 1.00 0.00 H ATOM 137 H GLN A 40 7.626 -8.030 135.824 1.00 0.00 H ATOM 138 N GLY A 41 7.753 -11.281 138.561 1.00 32.04 N ATOM 139 CA GLY A 41 7.540 -11.445 139.991 1.00 31.32 C ATOM 140 C GLY A 41 6.112 -11.080 140.378 1.00 29.19 C ATOM 141 O GLY A 41 5.266 -10.834 139.514 1.00 27.18 O ATOM 142 H GLY A 41 7.694 -12.112 137.938 1.00 0.00 H ATOM 143 N GLU A 42 5.848 -11.068 141.680 1.00 27.56 N ATOM 144 CA GLU A 42 4.509 -10.864 142.186 1.00 27.07 C ATOM 145 C GLU A 42 4.008 -9.490 141.785 1.00 23.46 C ATOM 146 O GLU A 42 4.771 -8.526 141.671 1.00 22.55 O ATOM 147 CB GLU A 42 4.480 -10.991 143.710 1.00 30.83 C ATOM 148 CG GLU A 42 4.495 -12.422 144.210 1.00 35.70 C ATOM 149 CD GLU A 42 4.775 -12.506 145.699 1.00 39.34 C ATOM 150 OE1 GLU A 42 5.370 -13.503 146.135 1.00 46.75 O ATOM 151 OE2 GLU A 42 4.412 -11.567 146.434 1.00 40.39 O ATOM 152 H GLU A 42 6.627 -11.209 142.355 1.00 0.00 H ATOM 153 N LEU A 43 2.714 -9.386 141.562 1.00 19.69 N ATOM 154 CA LEU A 43 2.139 -8.094 141.253 1.00 19.21 C ATOM 155 C LEU A 43 2.205 -7.159 142.475 1.00 20.58 C ATOM 156 O LEU A 43 2.529 -5.968 142.335 1.00 20.73 O ATOM 157 CB LEU A 43 0.690 -8.270 140.792 1.00 18.70 C ATOM 158 CG LEU A 43 0.536 -8.962 139.424 1.00 18.18 C ATOM 159 CD1 LEU A 43 -0.932 -9.300 139.203 1.00 17.46 C ATOM 160 CD2 LEU A 43 1.032 -8.111 138.271 1.00 20.01 C ATOM 161 H LEU A 43 2.107 -10.229 141.608 1.00 0.00 H ATOM 162 N GLY A 44 1.910 -7.719 143.650 1.00 20.22 N ATOM 163 CA GLY A 44 1.977 -7.000 144.931 1.00 22.06 C ATOM 164 C GLY A 44 1.052 -5.806 144.959 1.00 22.22 C ATOM 165 O GLY A 44 1.403 -4.753 145.506 1.00 23.75 O ATOM 166 H GLY A 44 1.617 -8.717 143.660 1.00 0.00 H ATOM 167 N TRP A 45 -0.077 -5.913 144.278 1.00 19.38 N ATOM 168 CA TRP A 45 -1.003 -4.782 144.191 1.00 18.40 C ATOM 169 C TRP A 45 -1.559 -4.662 145.610 1.00 18.89 C ATOM 170 O TRP A 45 -1.410 -5.560 146.398 1.00 20.79 O ATOM 171 CB TRP A 45 -2.096 -5.096 143.192 1.00 16.90 C ATOM 172 CG TRP A 45 -1.709 -5.008 141.749 1.00 16.18 C ATOM 173 CD1 TRP A 45 -0.538 -4.534 141.211 1.00 16.28 C ATOM 174 CD2 TRP A 45 -2.557 -5.315 140.647 1.00 15.56 C ATOM 175 NE1 TRP A 45 -0.592 -4.581 139.840 1.00 16.40 N ATOM 176 CE2 TRP A 45 -1.819 -5.067 139.466 1.00 15.69 C ATOM 177 CE3 TRP A 45 -3.838 -5.860 140.541 1.00 16.08 C ATOM 178 CZ2 TRP A 45 -2.337 -5.335 138.191 1.00 16.12 C ATOM 179 CZ3 TRP A 45 -4.361 -6.116 139.257 1.00 16.74 C ATOM 180 CH2 TRP A 45 -3.607 -5.831 138.109 1.00 15.76 C ATOM 181 HE1 TRP A 45 0.170 -4.296 139.193 1.00 0.00 H ATOM 182 H TRP A 45 -0.309 -6.807 143.801 1.00 0.00 H ATOM 183 N ILE A 46 -2.246 -3.591 145.923 1.00 17.72 N ATOM 184 CA ILE A 46 -2.625 -3.369 147.293 1.00 17.98 C ATOM 185 C ILE A 46 -4.048 -3.868 147.490 1.00 17.02 C ATOM 186 O ILE A 46 -4.958 -3.380 146.814 1.00 16.46 O ATOM 187 CB ILE A 46 -2.539 -1.890 147.641 1.00 20.16 C ATOM 188 CG1 ILE A 46 -1.091 -1.399 147.465 1.00 21.24 C ATOM 189 CG2 ILE A 46 -3.062 -1.675 149.052 1.00 22.13 C ATOM 190 CD1 ILE A 46 -0.050 -2.295 148.071 1.00 22.98 C ATOM 191 H ILE A 46 -2.515 -2.907 145.187 1.00 0.00 H ATOM 192 N ALA A 47 -4.222 -4.820 148.413 1.00 16.26 N ATOM 193 CA ALA A 47 -5.543 -5.376 148.715 1.00 15.80 C ATOM 194 C ALA A 47 -6.022 -4.822 150.058 1.00 16.94 C ATOM 195 O ALA A 47 -5.240 -4.680 151.014 1.00 17.20 O ATOM 196 CB ALA A 47 -5.477 -6.891 148.761 1.00 15.84 C ATOM 197 H ALA A 47 -3.394 -5.176 148.932 1.00 0.00 H ATOM 198 N SER A 48 -7.310 -4.514 150.119 1.00 17.00 N ATOM 199 CA SER A 48 -7.960 -4.084 151.348 1.00 18.53 C ATOM 200 C SER A 48 -9.295 -4.797 151.449 1.00 18.30 C ATOM 201 O SER A 48 -10.209 -4.460 150.699 1.00 17.91 O ATOM 202 CB SER A 48 -8.200 -2.588 151.357 1.00 19.53 C ATOM 203 OG SER A 48 -8.834 -2.242 152.566 1.00 21.45 O ATOM 204 HG SER A 48 -9.697 -2.723 152.634 1.00 0.00 H ATOM 205 H SER A 48 -7.880 -4.583 149.252 1.00 0.00 H ATOM 206 N PRO A 49 -9.426 -5.773 152.356 1.00 18.34 N ATOM 207 CA PRO A 49 -8.467 -6.214 153.375 1.00 19.48 C ATOM 208 C PRO A 49 -7.217 -6.870 152.806 1.00 19.08 C ATOM 209 O PRO A 49 -7.234 -7.431 151.696 1.00 16.64 O ATOM 210 CB PRO A 49 -9.249 -7.221 154.213 1.00 20.29 C ATOM 211 CG PRO A 49 -10.346 -7.684 153.328 1.00 19.56 C ATOM 212 CD PRO A 49 -10.663 -6.561 152.400 1.00 18.80 C ATOM 213 N LEU A 50 -6.142 -6.751 153.579 1.00 20.82 N ATOM 214 CA LEU A 50 -4.837 -7.283 153.190 1.00 22.08 C ATOM 215 C LEU A 50 -4.815 -8.799 153.116 1.00 22.50 C ATOM 216 O LEU A 50 -4.104 -9.364 152.288 1.00 22.19 O ATOM 217 CB LEU A 50 -3.778 -6.846 154.230 1.00 23.82 C ATOM 218 CG LEU A 50 -3.278 -5.402 154.124 1.00 25.32 C ATOM 219 CD1 LEU A 50 -2.457 -5.049 155.356 1.00 27.87 C ATOM 220 CD2 LEU A 50 -2.464 -5.225 152.842 1.00 25.61 C ATOM 221 H LEU A 50 -6.233 -6.262 154.493 1.00 0.00 H ATOM 222 N GLU A 51 -5.615 -9.448 153.951 1.00 23.43 N ATOM 223 CA GLU A 51 -5.729 -10.906 153.940 1.00 24.37 C ATOM 224 C GLU A 51 -7.182 -11.329 153.927 1.00 22.81 C ATOM 225 O GLU A 51 -8.042 -10.635 154.483 1.00 21.56 O ATOM 226 CB GLU A 51 -5.032 -11.500 155.159 1.00 29.67 C ATOM 227 CG GLU A 51 -3.518 -11.331 155.118 1.00 34.45 C ATOM 228 CD GLU A 51 -2.809 -11.926 156.320 1.00 38.84 C ATOM 229 OE1 GLU A 51 -1.899 -11.263 156.877 1.00 45.44 O ATOM 230 OE2 GLU A 51 -3.116 -13.069 156.697 1.00 42.12 O ATOM 231 H GLU A 51 -6.179 -8.903 154.635 1.00 0.00 H ATOM 232 N GLY A 52 -7.454 -12.432 153.236 1.00 20.97 N ATOM 233 CA GLY A 52 -8.773 -13.027 153.237 1.00 20.18 C ATOM 234 C GLY A 52 -9.745 -12.500 152.205 1.00 18.51 C ATOM 235 O GLY A 52 -10.853 -13.027 152.122 1.00 19.41 O ATOM 236 H GLY A 52 -6.698 -12.879 152.679 1.00 0.00 H ATOM 237 N GLY A 53 -9.359 -11.465 151.473 1.00 16.67 N ATOM 238 CA GLY A 53 -10.137 -10.914 150.360 1.00 15.59 C ATOM 239 C GLY A 53 -9.413 -11.292 149.076 1.00 14.59 C ATOM 240 O GLY A 53 -9.231 -12.482 148.775 1.00 14.59 O ATOM 241 H GLY A 53 -8.449 -11.017 151.702 1.00 0.00 H ATOM 242 N TRP A 54 -9.070 -10.290 148.269 1.00 14.02 N ATOM 243 CA TRP A 54 -8.357 -10.554 147.015 1.00 13.62 C ATOM 244 C TRP A 54 -6.977 -11.108 147.330 1.00 14.33 C ATOM 245 O TRP A 54 -6.255 -10.535 148.178 1.00 14.84 O ATOM 246 CB TRP A 54 -8.194 -9.273 146.221 1.00 13.40 C ATOM 247 CG TRP A 54 -9.409 -8.711 145.586 1.00 12.67 C ATOM 248 CD1 TRP A 54 -10.155 -7.668 146.027 1.00 12.85 C ATOM 249 CD2 TRP A 54 -9.988 -9.124 144.353 1.00 12.20 C ATOM 250 NE1 TRP A 54 -11.152 -7.391 145.150 1.00 12.39 N ATOM 251 CE2 TRP A 54 -11.070 -8.256 144.097 1.00 12.35 C ATOM 252 CE3 TRP A 54 -9.692 -10.118 143.424 1.00 11.74 C ATOM 253 CZ2 TRP A 54 -11.875 -8.375 142.983 1.00 12.27 C ATOM 254 CZ3 TRP A 54 -10.488 -10.222 142.283 1.00 11.56 C ATOM 255 CH2 TRP A 54 -11.564 -9.334 142.068 1.00 11.79 C ATOM 256 HE1 TRP A 54 -11.864 -6.641 145.262 1.00 0.00 H ATOM 257 H TRP A 54 -9.310 -9.312 148.530 1.00 0.00 H ATOM 258 N GLU A 55 -6.615 -12.211 146.674 1.00 14.36 N ATOM 259 CA GLU A 55 -5.318 -12.842 146.870 1.00 15.08 C ATOM 260 C GLU A 55 -4.699 -13.231 145.527 1.00 14.50 C ATOM 261 O GLU A 55 -5.410 -13.597 144.589 1.00 13.88 O ATOM 262 CB GLU A 55 -5.458 -14.060 147.801 1.00 16.68 C ATOM 263 CG GLU A 55 -6.062 -13.694 149.186 1.00 18.44 C ATOM 264 CD GLU A 55 -5.756 -14.664 150.316 1.00 20.56 C ATOM 265 OE1 GLU A 55 -5.508 -15.849 150.045 1.00 23.16 O ATOM 266 OE2 GLU A 55 -5.797 -14.237 151.495 1.00 22.89 O ATOM 267 H GLU A 55 -7.283 -12.635 145.999 1.00 0.00 H ATOM 268 N GLU A 56 -3.373 -13.185 145.466 1.00 14.27 N ATOM 269 CA GLU A 56 -2.631 -13.592 144.289 1.00 14.97 C ATOM 270 C GLU A 56 -2.626 -15.105 144.186 1.00 14.68 C ATOM 271 O GLU A 56 -2.357 -15.801 145.186 1.00 14.09 O ATOM 272 CB GLU A 56 -1.177 -13.075 144.321 1.00 17.71 C ATOM 273 CG GLU A 56 -1.071 -11.620 143.867 1.00 20.91 C ATOM 274 CD GLU A 56 0.326 -11.138 143.453 1.00 22.61 C ATOM 275 OE1 GLU A 56 0.944 -10.405 144.250 1.00 23.90 O ATOM 276 OE2 GLU A 56 0.809 -11.485 142.361 1.00 20.49 O ATOM 277 H GLU A 56 -2.846 -12.844 146.295 1.00 0.00 H ATOM 278 N VAL A 57 -2.911 -15.618 142.989 1.00 13.19 N ATOM 279 CA VAL A 57 -2.865 -17.052 142.682 1.00 13.35 C ATOM 280 C VAL A 57 -2.148 -17.227 141.352 1.00 12.80 C ATOM 281 O VAL A 57 -2.588 -16.680 140.349 1.00 12.37 O ATOM 282 CB VAL A 57 -4.276 -17.661 142.560 1.00 13.48 C ATOM 283 CG1 VAL A 57 -4.229 -19.114 142.118 1.00 14.05 C ATOM 284 CG2 VAL A 57 -5.072 -17.515 143.856 1.00 14.14 C ATOM 285 H VAL A 57 -3.182 -14.963 142.228 1.00 0.00 H ATOM 286 N SER A 58 -1.051 -17.973 141.355 1.00 12.91 N ATOM 287 CA SER A 58 -0.342 -18.278 140.128 1.00 13.26 C ATOM 288 C SER A 58 -0.863 -19.489 139.410 1.00 13.05 C ATOM 289 O SER A 58 -1.087 -20.522 140.021 1.00 12.72 O ATOM 290 CB SER A 58 1.142 -18.511 140.408 1.00 14.92 C ATOM 291 OG SER A 58 1.767 -17.318 140.810 1.00 16.26 O ATOM 292 HG SER A 58 2.726 -17.492 140.986 1.00 0.00 H ATOM 293 H SER A 58 -0.692 -18.347 142.257 1.00 0.00 H ATOM 294 N ILE A 59 -1.063 -19.342 138.108 1.00 12.41 N ATOM 295 CA ILE A 59 -1.377 -20.466 137.217 1.00 12.69 C ATOM 296 C ILE A 59 -0.172 -20.652 136.330 1.00 12.97 C ATOM 297 O ILE A 59 0.236 -19.704 135.636 1.00 12.58 O ATOM 298 CB ILE A 59 -2.645 -20.194 136.378 1.00 12.71 C ATOM 299 CG1 ILE A 59 -3.858 -20.016 137.293 1.00 13.07 C ATOM 300 CG2 ILE A 59 -2.891 -21.325 135.367 1.00 13.14 C ATOM 301 CD1 ILE A 59 -5.130 -19.566 136.583 1.00 12.91 C ATOM 302 H ILE A 59 -0.994 -18.388 137.699 1.00 0.00 H ATOM 303 N MET A 60 0.405 -21.845 136.308 1.00 13.35 N ATOM 304 CA MET A 60 1.670 -22.038 135.601 1.00 14.72 C ATOM 305 C MET A 60 1.400 -22.355 134.126 1.00 15.42 C ATOM 306 O MET A 60 0.606 -23.265 133.809 1.00 15.40 O ATOM 307 CB MET A 60 2.488 -23.137 136.263 1.00 16.11 C ATOM 308 CG MET A 60 2.753 -22.949 137.745 1.00 16.85 C ATOM 309 SD MET A 60 3.476 -21.301 138.086 1.00 19.26 S ATOM 310 CE MET A 60 3.505 -21.310 139.869 1.00 18.75 C ATOM 311 H MET A 60 -0.044 -22.647 136.795 1.00 0.00 H ATOM 312 N ASP A 61 2.028 -21.605 133.221 1.00 14.78 N ATOM 313 CA ASP A 61 1.884 -21.907 131.794 1.00 15.34 C ATOM 314 C ASP A 61 2.848 -23.052 131.391 1.00 15.47 C ATOM 315 O ASP A 61 3.497 -23.645 132.250 1.00 15.59 O ATOM 316 CB ASP A 61 2.025 -20.657 130.930 1.00 15.60 C ATOM 317 CG ASP A 61 3.474 -20.170 130.770 1.00 17.19 C ATOM 318 OD1 ASP A 61 4.447 -20.873 131.128 1.00 16.57 O ATOM 319 OD2 ASP A 61 3.600 -19.036 130.265 1.00 18.25 O ATOM 320 H ASP A 61 2.620 -20.806 133.527 1.00 0.00 H ATOM 321 N GLU A 62 2.887 -23.397 130.099 1.00 16.85 N ATOM 322 CA GLU A 62 3.574 -24.576 129.604 1.00 18.80 C ATOM 323 C GLU A 62 5.094 -24.509 129.826 1.00 19.48 C ATOM 324 O GLU A 62 5.755 -25.521 129.958 1.00 19.68 O ATOM 325 CB GLU A 62 3.273 -24.774 128.113 1.00 20.80 C ATOM 326 CG GLU A 62 3.632 -26.147 127.599 1.00 24.07 C ATOM 327 CD GLU A 62 3.099 -26.432 126.198 1.00 26.40 C ATOM 328 OE1 GLU A 62 2.531 -25.544 125.551 1.00 31.66 O ATOM 329 OE2 GLU A 62 3.253 -27.575 125.748 1.00 32.01 O ATOM 330 H GLU A 62 2.399 -22.788 129.412 1.00 0.00 H ATOM 331 N LYS A 63 5.610 -23.294 129.887 1.00 19.92 N ATOM 332 CA LYS A 63 7.037 -23.046 130.164 1.00 21.77 C ATOM 333 C LYS A 63 7.323 -22.798 131.635 1.00 20.84 C ATOM 334 O LYS A 63 8.445 -22.427 132.000 1.00 20.27 O ATOM 335 CB LYS A 63 7.468 -21.827 129.377 1.00 24.47 C ATOM 336 CG LYS A 63 7.458 -22.041 127.882 1.00 28.49 C ATOM 337 CD LYS A 63 8.548 -23.011 127.464 1.00 33.26 C ATOM 338 CE LYS A 63 9.007 -22.774 126.019 1.00 37.40 C ATOM 339 NZ LYS A 63 7.911 -22.322 125.105 1.00 39.04 N ATOM 340 HZ1 LYS A 63 7.164 -23.045 125.078 1.00 0.00 H ATOM 341 HZ2 LYS A 63 7.516 -21.426 125.456 1.00 0.00 H ATOM 342 HZ3 LYS A 63 8.294 -22.182 124.148 1.00 0.00 H ATOM 343 H LYS A 63 4.983 -22.478 129.733 1.00 0.00 H ATOM 344 N ASN A 64 6.315 -23.046 132.467 1.00 19.20 N ATOM 345 CA ASN A 64 6.378 -22.862 133.908 1.00 19.33 C ATOM 346 C ASN A 64 6.650 -21.407 134.261 1.00 19.30 C ATOM 347 O ASN A 64 7.350 -21.130 135.236 1.00 20.41 O ATOM 348 CB ASN A 64 7.404 -23.791 134.566 1.00 19.61 C ATOM 349 CG ASN A 64 7.189 -23.943 136.060 1.00 19.28 C ATOM 350 OD1 ASN A 64 6.059 -23.868 136.571 1.00 19.73 O ATOM 351 ND2 ASN A 64 8.254 -24.178 136.764 1.00 19.83 N ATOM 352 HD22 ASN A 64 9.183 -24.233 136.299 1.00 0.00 H ATOM 353 HD21 ASN A 64 8.178 -24.311 137.793 1.00 0.00 H ATOM 354 H ASN A 64 5.424 -23.394 132.060 1.00 0.00 H ATOM 355 N THR A 65 6.078 -20.506 133.483 1.00 18.24 N ATOM 356 CA THR A 65 6.032 -19.102 133.829 1.00 18.86 C ATOM 357 C THR A 65 4.679 -18.813 134.472 1.00 17.37 C ATOM 358 O THR A 65 3.650 -19.202 133.916 1.00 15.97 O ATOM 359 CB THR A 65 6.151 -18.254 132.572 1.00 20.78 C ATOM 360 OG1 THR A 65 7.420 -18.514 131.974 1.00 22.80 O ATOM 361 CG2 THR A 65 6.042 -16.796 132.894 1.00 22.09 C ATOM 362 HG1 THR A 65 7.514 -17.969 131.153 1.00 0.00 H ATOM 363 H THR A 65 5.645 -20.817 132.590 1.00 0.00 H ATOM 364 N PRO A 66 4.675 -18.114 135.625 1.00 16.42 N ATOM 365 CA PRO A 66 3.424 -17.921 136.302 1.00 16.24 C ATOM 366 C PRO A 66 2.527 -16.892 135.622 1.00 15.97 C ATOM 367 O PRO A 66 3.035 -15.867 135.123 1.00 16.41 O ATOM 368 CB PRO A 66 3.835 -17.421 137.703 1.00 16.41 C ATOM 369 CG PRO A 66 5.198 -16.925 137.557 1.00 17.81 C ATOM 370 CD PRO A 66 5.832 -17.713 136.444 1.00 17.52 C ATOM 371 N ILE A 67 1.250 -17.224 135.511 1.00 14.94 N ATOM 372 CA ILE A 67 0.230 -16.265 135.120 1.00 14.91 C ATOM 373 C ILE A 67 -0.299 -15.753 136.443 1.00 14.15 C ATOM 374 O ILE A 67 -0.844 -16.515 137.234 1.00 12.81 O ATOM 375 CB ILE A 67 -0.873 -16.879 134.264 1.00 15.90 C ATOM 376 CG1 ILE A 67 -0.289 -17.412 132.951 1.00 18.10 C ATOM 377 CG2 ILE A 67 -1.954 -15.822 133.972 1.00 16.78 C ATOM 378 CD1 ILE A 67 -1.202 -18.385 132.259 1.00 18.70 C ATOM 379 H ILE A 67 0.967 -18.205 135.710 1.00 0.00 H ATOM 380 N ARG A 68 -0.093 -14.464 136.704 1.00 13.07 N ATOM 381 CA ARG A 68 -0.387 -13.884 137.995 1.00 14.02 C ATOM 382 C ARG A 68 -1.817 -13.409 138.036 1.00 12.42 C ATOM 383 O ARG A 68 -2.141 -12.353 137.430 1.00 12.55 O ATOM 384 CB ARG A 68 0.552 -12.704 138.253 1.00 16.40 C ATOM 385 CG ARG A 68 2.022 -13.117 138.188 1.00 18.94 C ATOM 386 CD ARG A 68 2.473 -13.689 139.482 1.00 21.05 C ATOM 387 NE ARG A 68 3.918 -13.959 139.449 1.00 23.85 N ATOM 388 CZ ARG A 68 4.615 -14.413 140.481 1.00 25.54 C ATOM 389 NH1 ARG A 68 4.002 -14.703 141.625 1.00 27.24 N ATOM 390 NH2 ARG A 68 5.929 -14.598 140.365 1.00 26.41 N ATOM 391 HE ARG A 68 4.426 -13.782 138.559 1.00 0.00 H ATOM 392 HH12 ARG A 68 4.551 -15.059 142.433 1.00 0.00 H ATOM 393 HH11 ARG A 68 2.974 -14.574 141.711 1.00 0.00 H ATOM 394 HH22 ARG A 68 6.477 -14.954 141.174 1.00 0.00 H ATOM 395 HH21 ARG A 68 6.407 -14.386 139.466 1.00 0.00 H ATOM 396 H ARG A 68 0.292 -13.854 135.955 1.00 0.00 H ATOM 397 N THR A 69 -2.667 -14.203 138.656 1.00 11.62 N ATOM 398 CA THR A 69 -4.077 -13.848 138.779 1.00 10.68 C ATOM 399 C THR A 69 -4.370 -13.309 140.189 1.00 10.94 C ATOM 400 O THR A 69 -3.591 -13.480 141.120 1.00 11.49 O ATOM 401 CB THR A 69 -4.996 -15.036 138.472 1.00 10.68 C ATOM 402 OG1 THR A 69 -5.059 -15.914 139.606 1.00 10.98 O ATOM 403 CG2 THR A 69 -4.485 -15.823 137.279 1.00 10.52 C ATOM 404 HG1 THR A 69 -4.151 -16.249 139.813 1.00 0.00 H ATOM 405 H THR A 69 -2.327 -15.097 139.064 1.00 0.00 H ATOM 406 N TYR A 70 -5.491 -12.601 140.296 1.00 10.39 N ATOM 407 CA TYR A 70 -6.044 -12.193 141.574 1.00 10.59 C ATOM 408 C TYR A 70 -7.425 -12.763 141.701 1.00 10.65 C ATOM 409 O TYR A 70 -8.225 -12.642 140.772 1.00 10.15 O ATOM 410 CB TYR A 70 -6.115 -10.656 141.667 1.00 11.61 C ATOM 411 CG TYR A 70 -4.913 -10.075 142.346 1.00 13.04 C ATOM 412 CD1 TYR A 70 -4.756 -10.166 143.719 1.00 14.46 C ATOM 413 CD2 TYR A 70 -3.947 -9.397 141.617 1.00 14.82 C ATOM 414 CE1 TYR A 70 -3.669 -9.612 144.359 1.00 16.24 C ATOM 415 CE2 TYR A 70 -2.842 -8.847 142.247 1.00 15.91 C ATOM 416 CZ TYR A 70 -2.705 -8.958 143.598 1.00 16.33 C ATOM 417 OH TYR A 70 -1.623 -8.379 144.236 1.00 19.65 O ATOM 418 HH TYR A 70 -1.681 -8.556 145.208 1.00 0.00 H ATOM 419 H TYR A 70 -5.992 -12.328 139.427 1.00 0.00 H ATOM 420 N GLN A 71 -7.740 -13.340 142.871 1.00 10.52 N ATOM 421 CA GLN A 71 -8.988 -14.042 143.047 1.00 11.05 C ATOM 422 C GLN A 71 -9.603 -13.727 144.386 1.00 11.73 C ATOM 423 O GLN A 71 -8.888 -13.497 145.368 1.00 12.48 O ATOM 424 CB GLN A 71 -8.792 -15.556 142.915 1.00 11.20 C ATOM 425 CG GLN A 71 -7.997 -15.940 141.677 1.00 11.16 C ATOM 426 CD GLN A 71 -8.046 -17.418 141.352 1.00 11.68 C ATOM 427 OE1 GLN A 71 -8.877 -18.152 141.879 1.00 12.85 O ATOM 428 NE2 GLN A 71 -7.166 -17.849 140.460 1.00 11.40 N ATOM 429 HE22 GLN A 71 -6.482 -17.186 140.042 1.00 0.00 H ATOM 430 HE21 GLN A 71 -7.159 -18.850 140.178 1.00 0.00 H ATOM 431 H GLN A 71 -7.072 -13.280 143.666 1.00 0.00 H ATOM 432 N VAL A 72 -10.925 -13.773 144.429 1.00 12.50 N ATOM 433 CA VAL A 72 -11.636 -13.722 145.694 1.00 13.27 C ATOM 434 C VAL A 72 -12.916 -14.511 145.515 1.00 13.99 C ATOM 435 O VAL A 72 -13.505 -14.519 144.422 1.00 12.61 O ATOM 436 CB VAL A 72 -11.902 -12.269 146.155 1.00 14.05 C ATOM 437 CG1 VAL A 72 -12.727 -11.486 145.160 1.00 14.40 C ATOM 438 CG2 VAL A 72 -12.527 -12.243 147.537 1.00 14.90 C ATOM 439 H VAL A 72 -11.463 -13.847 143.542 1.00 0.00 H ATOM 440 N CYS A 73 -13.358 -15.191 146.588 1.00 14.32 N ATOM 441 CA CYS A 73 -14.550 -16.048 146.481 1.00 15.35 C ATOM 442 C CYS A 73 -15.148 -16.294 147.865 1.00 16.79 C ATOM 443 O CYS A 73 -15.241 -17.432 148.334 1.00 17.76 O ATOM 444 CB CYS A 73 -14.194 -17.360 145.785 1.00 15.88 C ATOM 445 SG CYS A 73 -15.598 -18.454 145.434 1.00 17.15 S ATOM 446 H CYS A 73 -12.856 -15.111 147.495 1.00 0.00 H ATOM 447 N ASN A 74 -15.512 -15.207 148.522 1.00 17.27 N ATOM 448 CA ASN A 74 -16.119 -15.260 149.850 1.00 19.35 C ATOM 449 C ASN A 74 -17.630 -15.311 149.763 1.00 21.90 C ATOM 450 O ASN A 74 -18.336 -14.544 150.465 1.00 23.51 O ATOM 451 CB ASN A 74 -15.671 -14.047 150.663 1.00 19.05 C ATOM 452 CG ASN A 74 -14.212 -14.110 151.038 1.00 18.74 C ATOM 453 OD1 ASN A 74 -13.598 -15.182 151.045 1.00 18.33 O ATOM 454 ND2 ASN A 74 -13.647 -12.956 151.393 1.00 18.78 N ATOM 455 HD22 ASN A 74 -14.202 -12.077 151.372 1.00 0.00 H ATOM 456 HD21 ASN A 74 -12.651 -12.935 151.691 1.00 0.00 H ATOM 457 H ASN A 74 -15.361 -14.279 148.077 1.00 0.00 H ATOM 458 N VAL A 75 -18.132 -16.230 148.926 1.00 22.63 N ATOM 459 CA VAL A 75 -19.545 -16.283 148.632 1.00 24.86 C ATOM 460 C VAL A 75 -20.358 -16.787 149.809 1.00 29.08 C ATOM 461 O VAL A 75 -21.566 -16.595 149.820 1.00 34.15 O ATOM 462 CB VAL A 75 -19.857 -17.111 147.375 1.00 24.10 C ATOM 463 CG1 VAL A 75 -19.321 -16.398 146.162 1.00 23.03 C ATOM 464 CG2 VAL A 75 -19.260 -18.513 147.457 1.00 24.31 C ATOM 465 H VAL A 75 -17.492 -16.918 148.480 1.00 0.00 H ATOM 466 N MET A 76 -19.711 -17.427 150.776 1.00 31.88 N ATOM 467 CA MET A 76 -20.408 -17.922 151.970 1.00 36.13 C ATOM 468 C MET A 76 -20.506 -16.887 153.099 1.00 36.07 C ATOM 469 O MET A 76 -21.134 -17.173 154.103 1.00 37.63 O ATOM 470 CB MET A 76 -19.713 -19.168 152.522 1.00 39.42 C ATOM 471 CG MET A 76 -19.586 -20.332 151.550 1.00 42.63 C ATOM 472 SD MET A 76 -21.158 -21.057 151.054 1.00 48.17 S ATOM 473 CE MET A 76 -21.845 -21.703 152.561 1.00 51.36 C ATOM 474 H MET A 76 -18.686 -17.581 150.686 1.00 0.00 H ATOM 475 N GLU A 77 -19.897 -15.714 152.949 1.00 33.05 N ATOM 476 CA GLU A 77 -19.850 -14.707 154.015 1.00 33.38 C ATOM 477 C GLU A 77 -20.567 -13.426 153.594 1.00 32.52 C ATOM 478 O GLU A 77 -20.416 -12.984 152.477 1.00 32.67 O ATOM 479 CB GLU A 77 -18.391 -14.358 154.348 1.00 33.67 C ATOM 480 CG GLU A 77 -17.434 -15.536 154.515 1.00 34.12 C ATOM 481 CD GLU A 77 -15.990 -15.095 154.801 1.00 35.38 C ATOM 482 OE1 GLU A 77 -15.579 -13.976 154.409 1.00 32.32 O ATOM 483 OE2 GLU A 77 -15.257 -15.882 155.441 1.00 38.31 O ATOM 484 H GLU A 77 -19.436 -15.502 152.041 1.00 0.00 H ATOM 485 N PRO A 78 -21.287 -12.770 154.511 1.00 33.71 N ATOM 486 CA PRO A 78 -22.046 -11.589 154.115 1.00 34.64 C ATOM 487 C PRO A 78 -21.214 -10.327 154.051 1.00 35.15 C ATOM 488 O PRO A 78 -20.089 -10.299 154.570 1.00 38.73 O ATOM 489 CB PRO A 78 -23.082 -11.450 155.254 1.00 36.72 C ATOM 490 CG PRO A 78 -22.354 -11.983 156.444 1.00 37.27 C ATOM 491 CD PRO A 78 -21.578 -13.167 155.908 1.00 36.12 C ATOM 492 N SER A 79 -21.800 -9.282 153.464 1.00 35.36 N ATOM 493 CA SER A 79 -21.280 -7.907 153.529 1.00 35.60 C ATOM 494 C SER A 79 -19.850 -7.808 153.030 1.00 31.03 C ATOM 495 O SER A 79 -18.987 -7.226 153.694 1.00 33.13 O ATOM 496 CB SER A 79 -21.338 -7.350 154.952 1.00 37.94 C ATOM 497 OG SER A 79 -22.567 -7.672 155.571 1.00 43.48 O ATOM 498 HG SER A 79 -22.580 -7.301 156.489 1.00 0.00 H ATOM 499 H SER A 79 -22.676 -9.449 152.929 1.00 0.00 H ATOM 500 N GLN A 80 -19.592 -8.393 151.872 1.00 28.03 N ATOM 501 CA GLN A 80 -18.249 -8.322 151.271 1.00 25.03 C ATOM 502 C GLN A 80 -17.994 -6.976 150.638 1.00 23.02 C ATOM 503 O GLN A 80 -18.888 -6.392 150.022 1.00 22.15 O ATOM 504 CB GLN A 80 -18.083 -9.434 150.233 1.00 25.10 C ATOM 505 CG GLN A 80 -18.047 -10.814 150.828 1.00 25.76 C ATOM 506 CD GLN A 80 -16.945 -10.952 151.872 1.00 26.27 C ATOM 507 OE1 GLN A 80 -15.759 -10.886 151.563 1.00 23.58 O ATOM 508 NE2 GLN A 80 -17.345 -11.197 153.123 1.00 28.72 N ATOM 509 HE22 GLN A 80 -18.360 -11.245 153.344 1.00 0.00 H ATOM 510 HE21 GLN A 80 -16.641 -11.340 153.875 1.00 0.00 H ATOM 511 H GLN A 80 -20.348 -8.910 151.379 1.00 0.00 H ATOM 512 N ASN A 81 -16.782 -6.458 150.840 1.00 21.08 N ATOM 513 CA ASN A 81 -16.372 -5.210 150.297 1.00 19.99 C ATOM 514 C ASN A 81 -14.868 -5.279 150.139 1.00 18.56 C ATOM 515 O ASN A 81 -14.138 -4.623 150.856 1.00 20.01 O ATOM 516 CB ASN A 81 -16.806 -4.048 151.229 1.00 21.19 C ATOM 517 CG ASN A 81 -16.455 -2.678 150.676 1.00 21.76 C ATOM 518 OD1 ASN A 81 -16.390 -2.496 149.469 1.00 21.09 O ATOM 519 ND2 ASN A 81 -16.215 -1.713 151.576 1.00 23.64 N ATOM 520 HD22 ASN A 81 -16.284 -1.921 152.593 1.00 0.00 H ATOM 521 HD21 ASN A 81 -15.960 -0.757 151.257 1.00 0.00 H ATOM 522 H ASN A 81 -16.105 -6.992 151.422 1.00 0.00 H ATOM 523 N ASN A 82 -14.421 -6.118 149.205 1.00 16.53 N ATOM 524 CA ASN A 82 -13.021 -6.353 149.030 1.00 15.13 C ATOM 525 C ASN A 82 -12.472 -5.515 147.898 1.00 14.34 C ATOM 526 O ASN A 82 -12.897 -5.666 146.764 1.00 13.32 O ATOM 527 CB ASN A 82 -12.803 -7.836 148.774 1.00 14.69 C ATOM 528 CG ASN A 82 -13.397 -8.702 149.859 1.00 15.15 C ATOM 529 OD1 ASN A 82 -13.024 -8.595 151.042 1.00 16.37 O ATOM 530 ND2 ASN A 82 -14.316 -9.545 149.492 1.00 14.70 N ATOM 531 HD22 ASN A 82 -14.599 -9.603 148.493 1.00 0.00 H ATOM 532 HD21 ASN A 82 -14.768 -10.161 150.197 1.00 0.00 H ATOM 533 H ASN A 82 -15.102 -6.611 148.593 1.00 0.00 H ATOM 534 N TRP A 83 -11.445 -4.744 148.194 1.00 14.17 N ATOM 535 CA TRP A 83 -10.818 -3.877 147.223 1.00 14.54 C ATOM 536 C TRP A 83 -9.427 -4.345 146.855 1.00 13.57 C ATOM 537 O TRP A 83 -8.718 -4.956 147.667 1.00 13.24 O ATOM 538 CB TRP A 83 -10.754 -2.452 147.756 1.00 15.56 C ATOM 539 CG TRP A 83 -12.079 -1.778 147.765 1.00 16.56 C ATOM 540 CD1 TRP A 83 -13.120 -2.006 148.618 1.00 17.53 C ATOM 541 CD2 TRP A 83 -12.528 -0.799 146.847 1.00 16.74 C ATOM 542 NE1 TRP A 83 -14.187 -1.216 148.287 1.00 17.65 N ATOM 543 CE2 TRP A 83 -13.844 -0.458 147.209 1.00 17.34 C ATOM 544 CE3 TRP A 83 -11.935 -0.155 145.784 1.00 16.92 C ATOM 545 CZ2 TRP A 83 -14.576 0.504 146.543 1.00 17.95 C ATOM 546 CZ3 TRP A 83 -12.669 0.810 145.102 1.00 17.34 C ATOM 547 CH2 TRP A 83 -13.974 1.122 145.479 1.00 18.16 C ATOM 548 HE1 TRP A 83 -15.105 -1.198 148.776 1.00 0.00 H ATOM 549 H TRP A 83 -11.071 -4.760 149.164 1.00 0.00 H ATOM 550 N LEU A 84 -9.076 -4.076 145.607 1.00 12.80 N ATOM 551 CA LEU A 84 -7.770 -4.378 145.060 1.00 13.31 C ATOM 552 C LEU A 84 -7.388 -3.193 144.195 1.00 13.85 C ATOM 553 O LEU A 84 -8.185 -2.761 143.358 1.00 13.90 O ATOM 554 CB LEU A 84 -7.857 -5.624 144.189 1.00 12.89 C ATOM 555 CG LEU A 84 -6.591 -6.060 143.447 1.00 12.98 C ATOM 556 CD1 LEU A 84 -5.511 -6.446 144.455 1.00 13.87 C ATOM 557 CD2 LEU A 84 -6.924 -7.174 142.481 1.00 12.84 C ATOM 558 H LEU A 84 -9.777 -3.623 144.986 1.00 0.00 H ATOM 559 N ARG A 85 -6.209 -2.641 144.387 1.00 15.33 N ATOM 560 CA ARG A 85 -5.801 -1.536 143.530 1.00 16.27 C ATOM 561 C ARG A 85 -4.438 -1.709 142.952 1.00 16.38 C ATOM 562 O ARG A 85 -3.533 -2.263 143.577 1.00 15.65 O ATOM 563 CB ARG A 85 -5.916 -0.183 144.204 1.00 19.68 C ATOM 564 CG ARG A 85 -4.934 0.095 145.273 1.00 23.16 C ATOM 565 CD ARG A 85 -4.482 1.559 145.184 1.00 25.76 C ATOM 566 NE ARG A 85 -3.700 1.934 146.353 1.00 30.75 N ATOM 567 CZ ARG A 85 -2.372 2.064 146.388 1.00 32.46 C ATOM 568 NH1 ARG A 85 -1.628 1.752 145.330 1.00 30.01 N ATOM 569 NH2 ARG A 85 -1.790 2.447 147.528 1.00 35.98 N ATOM 570 HE ARG A 85 -4.220 2.116 147.235 1.00 0.00 H ATOM 571 HH12 ARG A 85 -0.594 1.858 145.372 1.00 0.00 H ATOM 572 HH11 ARG A 85 -2.080 1.402 144.461 1.00 0.00 H ATOM 573 HH22 ARG A 85 -0.757 2.554 147.574 1.00 0.00 H ATOM 574 HH21 ARG A 85 -2.370 2.639 148.369 1.00 0.00 H ATOM 575 H ARG A 85 -5.579 -2.988 145.138 1.00 0.00 H ATOM 576 N THR A 86 -4.305 -1.247 141.709 1.00 15.17 N ATOM 577 CA THR A 86 -3.027 -1.326 141.048 1.00 15.81 C ATOM 578 C THR A 86 -2.064 -0.364 141.696 1.00 16.16 C ATOM 579 O THR A 86 -2.433 0.501 142.504 1.00 16.31 O ATOM 580 CB THR A 86 -3.137 -0.972 139.531 1.00 15.30 C ATOM 581 OG1 THR A 86 -3.541 0.399 139.352 1.00 15.20 O ATOM 582 CG2 THR A 86 -4.118 -1.867 138.874 1.00 15.95 C ATOM 583 HG1 THR A 86 -2.872 0.996 139.771 1.00 0.00 H ATOM 584 H THR A 86 -5.121 -0.831 141.217 1.00 0.00 H ATOM 585 N ASP A 87 -0.805 -0.481 141.296 1.00 18.00 N ATOM 586 CA ASP A 87 0.114 0.594 141.540 1.00 19.53 C ATOM 587 C ASP A 87 -0.219 1.753 140.606 1.00 19.02 C ATOM 588 O ASP A 87 -1.073 1.640 139.726 1.00 16.43 O ATOM 589 CB ASP A 87 1.552 0.126 141.285 1.00 22.92 C ATOM 590 CG ASP A 87 1.942 -1.135 142.087 1.00 26.34 C ATOM 591 OD1 ASP A 87 1.299 -1.490 143.117 1.00 31.49 O ATOM 592 OD2 ASP A 87 2.934 -1.755 141.655 1.00 31.29 O ATOM 593 H ASP A 87 -0.487 -1.344 140.810 1.00 0.00 H ATOM 594 N TRP A 88 0.481 2.859 140.778 1.00 18.92 N ATOM 595 CA TRP A 88 0.271 4.036 139.936 1.00 18.60 C ATOM 596 C TRP A 88 0.644 3.732 138.488 1.00 18.07 C ATOM 597 O TRP A 88 1.672 3.096 138.221 1.00 17.90 O ATOM 598 CB TRP A 88 1.113 5.163 140.466 1.00 20.11 C ATOM 599 CG TRP A 88 0.948 6.496 139.801 1.00 21.28 C ATOM 600 CD1 TRP A 88 0.002 7.442 140.048 1.00 21.08 C ATOM 601 CD2 TRP A 88 1.834 7.061 138.829 1.00 23.19 C ATOM 602 NE1 TRP A 88 0.244 8.572 139.283 1.00 22.72 N ATOM 603 CE2 TRP A 88 1.349 8.348 138.514 1.00 23.77 C ATOM 604 CE3 TRP A 88 2.979 6.601 138.188 1.00 24.47 C ATOM 605 CZ2 TRP A 88 1.980 9.178 137.591 1.00 25.63 C ATOM 606 CZ3 TRP A 88 3.615 7.437 137.266 1.00 26.30 C ATOM 607 CH2 TRP A 88 3.108 8.698 136.979 1.00 27.10 C ATOM 608 HE1 TRP A 88 -0.322 9.445 139.293 1.00 0.00 H ATOM 609 H TRP A 88 1.199 2.894 141.530 1.00 0.00 H ATOM 610 N ILE A 89 -0.208 4.191 137.568 1.00 17.36 N ATOM 611 CA ILE A 89 -0.029 4.000 136.125 1.00 16.91 C ATOM 612 C ILE A 89 0.102 5.369 135.470 1.00 17.68 C ATOM 613 O ILE A 89 -0.787 6.213 135.603 1.00 16.08 O ATOM 614 CB ILE A 89 -1.243 3.335 135.508 1.00 16.53 C ATOM 615 CG1 ILE A 89 -1.531 2.005 136.211 1.00 15.91 C ATOM 616 CG2 ILE A 89 -1.034 3.108 134.035 1.00 16.57 C ATOM 617 CD1 ILE A 89 -2.907 1.473 135.976 1.00 15.74 C ATOM 618 H ILE A 89 -1.046 4.714 137.893 1.00 0.00 H ATOM 619 N THR A 90 1.239 5.614 134.828 1.00 19.26 N ATOM 620 CA THR A 90 1.396 6.907 134.083 1.00 20.84 C ATOM 621 C THR A 90 0.405 6.943 132.920 1.00 20.65 C ATOM 622 O THR A 90 0.162 5.926 132.303 1.00 19.92 O ATOM 623 CB THR A 90 2.826 7.134 133.565 1.00 22.55 C ATOM 624 OG1 THR A 90 2.862 8.405 132.888 1.00 23.78 O ATOM 625 CG2 THR A 90 3.255 6.046 132.590 1.00 22.80 C ATOM 626 HG1 THR A 90 3.776 8.570 132.546 1.00 0.00 H ATOM 627 H THR A 90 2.011 4.918 134.842 1.00 0.00 H ATOM 628 N ARG A 91 -0.181 8.101 132.618 1.00 20.30 N ATOM 629 CA ARG A 91 -0.966 8.197 131.388 1.00 20.12 C ATOM 630 C ARG A 91 -0.167 8.669 130.157 1.00 21.03 C ATOM 631 O ARG A 91 -0.701 8.675 129.049 1.00 18.51 O ATOM 632 CB ARG A 91 -2.215 9.054 131.559 1.00 19.63 C ATOM 633 CG ARG A 91 -1.983 10.565 131.606 1.00 20.18 C ATOM 634 CD ARG A 91 -3.273 11.331 131.768 1.00 20.99 C ATOM 635 NE ARG A 91 -2.987 12.736 131.982 1.00 21.92 N ATOM 636 CZ ARG A 91 -2.830 13.650 131.040 1.00 23.97 C ATOM 637 NH1 ARG A 91 -2.984 13.368 129.747 1.00 23.34 N ATOM 638 NH2 ARG A 91 -2.528 14.891 131.398 1.00 25.86 N ATOM 639 HE ARG A 91 -2.897 13.054 132.968 1.00 0.00 H ATOM 640 HH12 ARG A 91 -2.852 14.113 129.033 1.00 0.00 H ATOM 641 HH11 ARG A 91 -3.236 12.403 129.452 1.00 0.00 H ATOM 642 HH22 ARG A 91 -2.400 15.625 130.672 1.00 0.00 H ATOM 643 HH21 ARG A 91 -2.419 15.130 132.404 1.00 0.00 H ATOM 644 H ARG A 91 -0.082 8.923 133.247 1.00 0.00 H ATOM 645 N GLU A 92 1.103 9.021 130.341 1.00 22.55 N ATOM 646 CA GLU A 92 1.944 9.499 129.225 1.00 24.64 C ATOM 647 C GLU A 92 1.300 10.482 128.255 1.00 24.26 C ATOM 648 O GLU A 92 1.426 10.258 127.042 1.00 26.01 O ATOM 649 CB GLU A 92 2.312 8.360 128.282 1.00 26.75 C ATOM 650 CG GLU A 92 3.207 7.295 128.854 1.00 28.66 C ATOM 651 CD GLU A 92 3.834 6.417 127.782 1.00 32.33 C ATOM 652 OE1 GLU A 92 3.707 6.696 126.563 1.00 35.06 O ATOM 653 OE2 GLU A 92 4.504 5.447 128.165 1.00 36.75 O ATOM 654 H GLU A 92 1.514 8.958 131.294 1.00 0.00 H ATOM 655 N GLY A 93 0.583 11.498 128.724 1.00 22.81 N ATOM 656 CA GLY A 93 -0.080 12.461 127.843 1.00 22.32 C ATOM 657 C GLY A 93 -1.311 11.995 127.065 1.00 20.76 C ATOM 658 O GLY A 93 -1.865 12.773 126.293 1.00 20.65 O ATOM 659 H GLY A 93 0.490 11.613 129.753 1.00 0.00 H ATOM 660 N ALA A 94 -1.761 10.754 127.275 1.00 18.62 N ATOM 661 CA ALA A 94 -3.031 10.258 126.706 1.00 16.98 C ATOM 662 C ALA A 94 -4.142 10.841 127.560 1.00 15.76 C ATOM 663 O ALA A 94 -3.951 10.891 128.763 1.00 15.85 O ATOM 664 CB ALA A 94 -3.109 8.747 126.812 1.00 17.05 C ATOM 665 H ALA A 94 -1.194 10.111 127.863 1.00 0.00 H ATOM 666 N GLN A 95 -5.246 11.321 126.998 1.00 14.22 N ATOM 667 CA GLN A 95 -6.448 11.609 127.830 1.00 13.72 C ATOM 668 C GLN A 95 -7.459 10.485 127.904 1.00 13.18 C ATOM 669 O GLN A 95 -8.283 10.455 128.824 1.00 13.09 O ATOM 670 CB GLN A 95 -7.177 12.852 127.308 1.00 14.24 C ATOM 671 CG GLN A 95 -6.373 14.087 127.461 1.00 15.38 C ATOM 672 CD GLN A 95 -7.170 15.350 127.146 1.00 16.32 C ATOM 673 OE1 GLN A 95 -8.359 15.322 126.874 1.00 16.40 O ATOM 674 NE2 GLN A 95 -6.489 16.444 127.194 1.00 18.34 N ATOM 675 HE22 GLN A 95 -5.477 16.416 127.431 1.00 0.00 H ATOM 676 HE21 GLN A 95 -6.952 17.354 126.996 1.00 0.00 H ATOM 677 H GLN A 95 -5.271 11.496 125.973 1.00 0.00 H ATOM 678 N ARG A 96 -7.393 9.546 126.965 1.00 12.36 N ATOM 679 CA ARG A 96 -8.343 8.447 126.888 1.00 11.76 C ATOM 680 C ARG A 96 -7.540 7.145 126.895 1.00 11.47 C ATOM 681 O ARG A 96 -6.590 6.990 126.130 1.00 12.07 O ATOM 682 CB ARG A 96 -9.267 8.600 125.665 1.00 11.55 C ATOM 683 CG ARG A 96 -10.053 9.919 125.741 1.00 11.95 C ATOM 684 CD ARG A 96 -11.344 9.974 124.915 1.00 11.72 C ATOM 685 NE ARG A 96 -12.254 8.960 125.405 1.00 11.17 N ATOM 686 CZ ARG A 96 -13.045 9.137 126.456 1.00 11.18 C ATOM 687 NH1 ARG A 96 -13.831 8.143 126.839 1.00 11.09 N ATOM 688 NH2 ARG A 96 -13.103 10.306 127.085 1.00 11.12 N ATOM 689 HE ARG A 96 -12.290 8.047 124.908 1.00 0.00 H ATOM 690 HH12 ARG A 96 -14.458 8.263 127.660 1.00 0.00 H ATOM 691 HH11 ARG A 96 -13.822 7.243 126.319 1.00 0.00 H ATOM 692 HH22 ARG A 96 -13.729 10.424 127.907 1.00 0.00 H ATOM 693 HH21 ARG A 96 -12.522 11.103 126.756 1.00 0.00 H ATOM 694 H ARG A 96 -6.632 9.599 126.258 1.00 0.00 H ATOM 695 N VAL A 97 -7.856 6.273 127.847 1.00 11.00 N ATOM 696 CA VAL A 97 -7.185 5.004 127.941 1.00 10.88 C ATOM 697 C VAL A 97 -8.219 3.921 127.844 1.00 10.39 C ATOM 698 O VAL A 97 -9.431 4.163 128.002 1.00 10.66 O ATOM 699 CB VAL A 97 -6.316 4.877 129.215 1.00 11.24 C ATOM 700 CG1 VAL A 97 -5.255 5.968 129.269 1.00 12.11 C ATOM 701 CG2 VAL A 97 -7.164 4.873 130.456 1.00 11.93 C ATOM 702 H VAL A 97 -8.599 6.512 128.534 1.00 0.00 H ATOM 703 N TYR A 98 -7.729 2.716 127.618 1.00 10.24 N ATOM 704 CA TYR A 98 -8.558 1.554 127.376 1.00 10.15 C ATOM 705 C TYR A 98 -8.090 0.481 128.311 1.00 10.61 C ATOM 706 O TYR A 98 -6.882 0.247 128.451 1.00 11.66 O ATOM 707 CB TYR A 98 -8.444 1.122 125.908 1.00 9.90 C ATOM 708 CG TYR A 98 -8.829 2.200 124.961 1.00 10.52 C ATOM 709 CD1 TYR A 98 -7.884 3.130 124.472 1.00 11.06 C ATOM 710 CD2 TYR A 98 -10.140 2.321 124.521 1.00 10.25 C ATOM 711 CE1 TYR A 98 -8.257 4.141 123.636 1.00 11.09 C ATOM 712 CE2 TYR A 98 -10.516 3.328 123.665 1.00 10.44 C ATOM 713 CZ TYR A 98 -9.576 4.243 123.237 1.00 10.98 C ATOM 714 OH TYR A 98 -9.958 5.229 122.412 1.00 10.94 O ATOM 715 HH TYR A 98 -9.177 5.799 122.197 1.00 0.00 H ATOM 716 H TYR A 98 -6.696 2.596 127.614 1.00 0.00 H ATOM 717 N ILE A 99 -9.040 -0.146 128.987 1.00 10.68 N ATOM 718 CA ILE A 99 -8.777 -1.163 130.002 1.00 10.80 C ATOM 719 C ILE A 99 -9.386 -2.463 129.525 1.00 10.81 C ATOM 720 O ILE A 99 -10.608 -2.528 129.360 1.00 9.75 O ATOM 721 CB ILE A 99 -9.398 -0.798 131.343 1.00 11.15 C ATOM 722 CG1 ILE A 99 -8.887 0.564 131.815 1.00 12.50 C ATOM 723 CG2 ILE A 99 -9.059 -1.846 132.396 1.00 11.20 C ATOM 724 CD1 ILE A 99 -9.786 1.214 132.817 1.00 13.04 C ATOM 725 H ILE A 99 -10.030 0.100 128.784 1.00 0.00 H ATOM 726 N GLU A 100 -8.558 -3.491 129.354 1.00 10.29 N ATOM 727 CA GLU A 100 -8.990 -4.808 128.848 1.00 12.05 C ATOM 728 C GLU A 100 -8.778 -5.801 129.959 1.00 10.93 C ATOM 729 O GLU A 100 -7.669 -5.927 130.494 1.00 10.67 O ATOM 730 CB GLU A 100 -8.151 -5.321 127.671 1.00 15.25 C ATOM 731 CG GLU A 100 -7.991 -4.437 126.497 1.00 19.63 C ATOM 732 CD GLU A 100 -7.149 -5.047 125.343 1.00 22.27 C ATOM 733 OE1 GLU A 100 -5.973 -5.533 125.511 1.00 25.83 O ATOM 734 OE2 GLU A 100 -7.648 -4.952 124.223 1.00 25.39 O ATOM 735 H GLU A 100 -7.554 -3.359 129.589 1.00 0.00 H ATOM 736 N ILE A 101 -9.829 -6.467 130.358 1.00 10.48 N ATOM 737 CA ILE A 101 -9.736 -7.454 131.434 1.00 11.37 C ATOM 738 C ILE A 101 -10.190 -8.807 130.943 1.00 10.87 C ATOM 739 O ILE A 101 -11.269 -8.928 130.311 1.00 10.14 O ATOM 740 CB ILE A 101 -10.624 -7.049 132.617 1.00 12.41 C ATOM 741 CG1 ILE A 101 -10.207 -5.667 133.105 1.00 13.63 C ATOM 742 CG2 ILE A 101 -10.520 -8.048 133.779 1.00 12.46 C ATOM 743 CD1 ILE A 101 -11.181 -5.049 134.078 1.00 15.84 C ATOM 744 H ILE A 101 -10.748 -6.292 129.903 1.00 0.00 H ATOM 745 N LYS A 102 -9.379 -9.823 131.226 1.00 10.51 N ATOM 746 CA LYS A 102 -9.765 -11.204 131.018 1.00 10.66 C ATOM 747 C LYS A 102 -10.003 -11.842 132.384 1.00 10.09 C ATOM 748 O LYS A 102 -9.181 -11.730 133.297 1.00 9.87 O ATOM 749 CB LYS A 102 -8.672 -11.963 130.280 1.00 11.14 C ATOM 750 CG LYS A 102 -8.373 -11.372 128.910 1.00 12.48 C ATOM 751 CD LYS A 102 -7.172 -12.063 128.318 1.00 13.36 C ATOM 752 CE LYS A 102 -6.785 -11.434 126.999 1.00 14.46 C ATOM 753 NZ LYS A 102 -5.556 -12.126 126.508 1.00 14.87 N ATOM 754 HZ1 LYS A 102 -4.792 -12.008 127.203 1.00 0.00 H ATOM 755 HZ2 LYS A 102 -5.757 -13.138 126.381 1.00 0.00 H ATOM 756 HZ3 LYS A 102 -5.266 -11.712 125.599 1.00 0.00 H ATOM 757 H LYS A 102 -8.434 -9.619 131.610 1.00 0.00 H ATOM 758 N PHE A 103 -11.152 -12.470 132.533 1.00 10.00 N ATOM 759 CA PHE A 103 -11.580 -12.962 133.827 1.00 9.87 C ATOM 760 C PHE A 103 -12.524 -14.124 133.694 1.00 9.97 C ATOM 761 O PHE A 103 -13.101 -14.374 132.619 1.00 10.15 O ATOM 762 CB PHE A 103 -12.254 -11.823 134.616 1.00 10.08 C ATOM 763 CG PHE A 103 -13.535 -11.315 134.004 1.00 10.12 C ATOM 764 CD1 PHE A 103 -13.483 -10.367 132.999 1.00 10.46 C ATOM 765 CD2 PHE A 103 -14.789 -11.740 134.436 1.00 10.67 C ATOM 766 CE1 PHE A 103 -14.650 -9.919 132.376 1.00 10.10 C ATOM 767 CE2 PHE A 103 -15.962 -11.294 133.830 1.00 10.49 C ATOM 768 CZ PHE A 103 -15.883 -10.341 132.820 1.00 10.57 C ATOM 769 H PHE A 103 -11.764 -12.615 131.705 1.00 0.00 H ATOM 770 N THR A 104 -12.735 -14.807 134.820 1.00 10.34 N ATOM 771 CA THR A 104 -13.763 -15.816 134.896 1.00 11.53 C ATOM 772 C THR A 104 -14.455 -15.729 136.247 1.00 13.12 C ATOM 773 O THR A 104 -13.844 -15.370 137.244 1.00 11.84 O ATOM 774 CB THR A 104 -13.187 -17.225 134.601 1.00 12.28 C ATOM 775 OG1 THR A 104 -14.187 -18.225 134.825 1.00 12.93 O ATOM 776 CG2 THR A 104 -12.022 -17.510 135.492 1.00 11.87 C ATOM 777 HG1 THR A 104 -13.807 -19.119 134.633 1.00 0.00 H ATOM 778 H THR A 104 -12.149 -14.609 135.656 1.00 0.00 H ATOM 779 N LEU A 105 -15.751 -16.016 136.243 1.00 15.94 N ATOM 780 CA LEU A 105 -16.549 -16.112 137.445 1.00 20.12 C ATOM 781 C LEU A 105 -17.197 -17.482 137.527 1.00 22.82 C ATOM 782 O LEU A 105 -17.456 -18.140 136.498 1.00 22.22 O ATOM 783 CB LEU A 105 -17.705 -15.154 137.381 1.00 23.53 C ATOM 784 CG LEU A 105 -17.362 -13.701 137.477 1.00 26.04 C ATOM 785 CD1 LEU A 105 -18.028 -12.956 136.358 1.00 26.65 C ATOM 786 CD2 LEU A 105 -17.810 -13.121 138.816 1.00 28.65 C ATOM 787 H LEU A 105 -16.217 -16.180 135.328 1.00 0.00 H ATOM 788 N ARG A 106 -17.467 -17.911 138.744 1.00 23.36 N ATOM 789 CA ARG A 106 -18.393 -19.032 138.915 1.00 26.82 C ATOM 790 C ARG A 106 -19.785 -18.486 139.100 1.00 26.54 C ATOM 791 O ARG A 106 -19.973 -17.657 139.960 1.00 25.99 O ATOM 792 CB ARG A 106 -18.104 -19.862 140.101 1.00 29.92 C ATOM 793 CG ARG A 106 -17.229 -21.064 139.910 1.00 32.18 C ATOM 794 CD ARG A 106 -17.775 -22.011 138.804 1.00 33.51 C ATOM 795 NE ARG A 106 -18.401 -23.156 139.476 1.00 35.07 N ATOM 796 CZ ARG A 106 -18.050 -24.440 139.381 1.00 39.40 C ATOM 797 NH1 ARG A 106 -17.078 -24.865 138.567 1.00 39.88 N ATOM 798 NH2 ARG A 106 -18.713 -25.336 140.103 1.00 40.46 N ATOM 799 HE ARG A 106 -19.209 -22.943 140.096 1.00 0.00 H ATOM 800 HH12 ARG A 106 -16.839 -25.876 138.526 1.00 0.00 H ATOM 801 HH11 ARG A 106 -16.561 -24.184 137.975 1.00 0.00 H ATOM 802 HH22 ARG A 106 -18.457 -26.342 140.045 1.00 0.00 H ATOM 803 HH21 ARG A 106 -19.488 -25.031 140.726 1.00 0.00 H ATOM 804 H ARG A 106 -17.028 -17.459 139.572 1.00 0.00 H ATOM 805 N ASP A 107 -20.749 -18.968 138.312 1.00 27.42 N ATOM 806 CA ASP A 107 -22.153 -18.601 138.479 1.00 28.05 C ATOM 807 C ASP A 107 -22.626 -19.073 139.847 1.00 24.50 C ATOM 808 O ASP A 107 -22.241 -20.129 140.292 1.00 22.92 O ATOM 809 CB ASP A 107 -23.027 -19.242 137.393 1.00 31.24 C ATOM 810 CG ASP A 107 -23.088 -18.417 136.095 1.00 33.84 C ATOM 811 OD1 ASP A 107 -22.653 -17.244 136.068 1.00 35.24 O ATOM 812 OD2 ASP A 107 -23.578 -18.957 135.074 1.00 35.17 O ATOM 813 H ASP A 107 -20.491 -19.629 137.552 1.00 0.00 H ATOM 814 N CYS A 108 -23.465 -18.269 140.480 1.00 24.46 N ATOM 815 CA CYS A 108 -23.973 -18.575 141.807 1.00 24.18 C ATOM 816 C CYS A 108 -24.737 -19.895 141.786 1.00 24.17 C ATOM 817 O CYS A 108 -24.686 -20.654 142.741 1.00 23.07 O ATOM 818 CB CYS A 108 -24.820 -17.440 142.325 1.00 25.63 C ATOM 819 SG CYS A 108 -23.850 -15.924 142.565 1.00 27.27 S ATOM 820 H CYS A 108 -23.770 -17.391 140.014 1.00 0.00 H ATOM 821 N ASN A 109 -25.434 -20.163 140.681 1.00 24.18 N ATOM 822 CA ASN A 109 -26.231 -21.378 140.595 1.00 24.99 C ATOM 823 C ASN A 109 -25.367 -22.636 140.426 1.00 24.68 C ATOM 824 O ASN A 109 -25.876 -23.724 140.514 1.00 24.84 O ATOM 825 CB ASN A 109 -27.338 -21.278 139.537 1.00 26.41 C ATOM 826 CG ASN A 109 -26.822 -21.272 138.122 1.00 26.72 C ATOM 827 OD1 ASN A 109 -25.623 -21.349 137.879 1.00 28.33 O ATOM 828 ND2 ASN A 109 -27.741 -21.148 137.171 1.00 28.07 N ATOM 829 HD22 ASN A 109 -28.748 -21.086 137.425 1.00 0.00 H ATOM 830 HD21 ASN A 109 -27.454 -21.113 136.172 1.00 0.00 H ATOM 831 H ASN A 109 -25.408 -19.502 139.878 1.00 0.00 H ATOM 832 N SER A 110 -24.061 -22.463 140.222 1.00 24.99 N ATOM 833 CA SER A 110 -23.117 -23.587 140.156 1.00 26.49 C ATOM 834 C SER A 110 -22.401 -23.846 141.473 1.00 28.39 C ATOM 835 O SER A 110 -21.676 -24.844 141.610 1.00 33.56 O ATOM 836 CB SER A 110 -22.066 -23.314 139.078 1.00 26.81 C ATOM 837 OG SER A 110 -21.234 -22.193 139.446 1.00 24.94 O ATOM 838 HG SER A 110 -21.798 -21.387 139.554 1.00 0.00 H ATOM 839 H SER A 110 -23.697 -21.496 140.105 1.00 0.00 H ATOM 840 N LEU A 111 -22.648 -22.999 142.472 1.00 27.98 N ATOM 841 CA LEU A 111 -22.030 -23.123 143.786 1.00 28.90 C ATOM 842 C LEU A 111 -23.026 -23.631 144.814 1.00 29.58 C ATOM 843 O LEU A 111 -23.891 -22.891 145.258 1.00 29.25 O ATOM 844 CB LEU A 111 -21.535 -21.749 144.241 1.00 28.77 C ATOM 845 CG LEU A 111 -20.550 -21.076 143.294 1.00 28.11 C ATOM 846 CD1 LEU A 111 -20.377 -19.609 143.623 1.00 28.39 C ATOM 847 CD2 LEU A 111 -19.217 -21.786 143.364 1.00 29.38 C ATOM 848 H LEU A 111 -23.311 -22.215 142.307 1.00 0.00 H ATOM 849 N PRO A 112 -22.881 -24.880 145.246 1.00 31.69 N ATOM 850 CA PRO A 112 -23.810 -25.347 146.246 1.00 33.45 C ATOM 851 C PRO A 112 -23.654 -24.652 147.571 1.00 33.99 C ATOM 852 O PRO A 112 -22.547 -24.286 147.973 1.00 32.77 O ATOM 853 CB PRO A 112 -23.482 -26.826 146.399 1.00 35.05 C ATOM 854 CG PRO A 112 -22.159 -27.019 145.771 1.00 33.74 C ATOM 855 CD PRO A 112 -21.961 -25.922 144.779 1.00 33.37 C ATOM 856 N GLY A 113 -24.785 -24.491 148.232 1.00 33.54 N ATOM 857 CA GLY A 113 -24.905 -23.842 149.503 1.00 34.38 C ATOM 858 C GLY A 113 -25.967 -22.795 149.286 1.00 34.32 C ATOM 859 O GLY A 113 -26.211 -22.332 148.163 1.00 32.91 O ATOM 860 H GLY A 113 -25.654 -24.863 147.798 1.00 0.00 H ATOM 861 N VAL A 114 -26.641 -22.439 150.354 1.00 35.78 N ATOM 862 CA VAL A 114 -27.560 -21.327 150.287 1.00 37.47 C ATOM 863 C VAL A 114 -26.660 -20.082 150.328 1.00 37.44 C ATOM 864 O VAL A 114 -25.883 -19.929 151.259 1.00 37.98 O ATOM 865 CB VAL A 114 -28.520 -21.397 151.484 1.00 38.09 C ATOM 866 CG1 VAL A 114 -29.369 -20.147 151.617 1.00 38.12 C ATOM 867 CG2 VAL A 114 -29.387 -22.655 151.385 1.00 39.06 C ATOM 868 H VAL A 114 -26.514 -22.957 151.247 1.00 0.00 H ATOM 869 N MET A 115 -26.765 -19.231 149.310 1.00 37.82 N ATOM 870 CA MET A 115 -25.989 -17.988 149.227 1.00 38.45 C ATOM 871 C MET A 115 -26.871 -16.833 148.820 1.00 39.61 C ATOM 872 O MET A 115 -26.835 -16.394 147.661 1.00 41.14 O ATOM 873 CB MET A 115 -24.904 -18.091 148.174 1.00 37.30 C ATOM 874 CG MET A 115 -24.117 -19.370 148.178 1.00 37.84 C ATOM 875 SD MET A 115 -23.195 -19.529 146.648 1.00 36.53 S ATOM 876 CE MET A 115 -22.117 -20.826 147.253 1.00 35.72 C ATOM 877 H MET A 115 -27.426 -19.457 148.539 1.00 0.00 H ATOM 878 N GLY A 116 -27.639 -16.335 149.779 1.00 40.29 N ATOM 879 CA GLY A 116 -28.515 -15.203 149.558 1.00 41.32 C ATOM 880 C GLY A 116 -27.887 -13.947 148.986 1.00 41.85 C ATOM 881 O GLY A 116 -28.557 -13.188 148.287 1.00 43.96 O ATOM 882 H GLY A 116 -27.612 -16.772 150.722 1.00 0.00 H ATOM 883 N THR A 117 -26.605 -13.726 149.253 1.00 39.68 N ATOM 884 CA THR A 117 -25.952 -12.519 148.756 1.00 39.34 C ATOM 885 C THR A 117 -24.902 -12.775 147.684 1.00 35.57 C ATOM 886 O THR A 117 -24.191 -11.846 147.342 1.00 35.09 O ATOM 887 CB THR A 117 -25.324 -11.703 149.911 1.00 40.56 C ATOM 888 OG1 THR A 117 -24.394 -12.517 150.629 1.00 40.90 O ATOM 889 CG2 THR A 117 -26.427 -11.211 150.861 1.00 43.45 C ATOM 890 HG1 THR A 117 -24.865 -13.304 151.002 1.00 0.00 H ATOM 891 H THR A 117 -26.066 -14.414 149.817 1.00 0.00 H ATOM 892 N CYS A 118 -24.844 -13.982 147.106 1.00 31.26 N ATOM 893 CA CYS A 118 -23.927 -14.243 145.990 1.00 28.28 C ATOM 894 C CYS A 118 -24.147 -13.323 144.770 1.00 26.11 C ATOM 895 O CYS A 118 -25.273 -13.073 144.350 1.00 26.30 O ATOM 896 CB CYS A 118 -24.018 -15.710 145.567 1.00 27.45 C ATOM 897 SG CYS A 118 -22.831 -16.267 144.338 1.00 26.44 S ATOM 898 H CYS A 118 -25.458 -14.746 147.453 1.00 0.00 H ATOM 899 N LYS A 119 -23.047 -12.845 144.204 1.00 24.60 N ATOM 900 CA LYS A 119 -23.064 -11.933 143.069 1.00 24.56 C ATOM 901 C LYS A 119 -22.246 -12.490 141.913 1.00 22.09 C ATOM 902 O LYS A 119 -21.421 -13.398 142.095 1.00 18.73 O ATOM 903 CB LYS A 119 -22.451 -10.605 143.476 1.00 26.41 C ATOM 904 CG LYS A 119 -23.163 -9.893 144.598 1.00 31.95 C ATOM 905 CD LYS A 119 -24.588 -9.544 144.206 1.00 35.21 C ATOM 906 CE LYS A 119 -25.233 -8.550 145.154 1.00 39.87 C ATOM 907 NZ LYS A 119 -24.994 -8.876 146.589 1.00 42.32 N ATOM 908 HZ1 LYS A 119 -25.387 -9.816 146.800 1.00 0.00 H ATOM 909 HZ2 LYS A 119 -23.971 -8.876 146.778 1.00 0.00 H ATOM 910 HZ3 LYS A 119 -25.458 -8.163 147.187 1.00 0.00 H ATOM 911 H LYS A 119 -22.126 -13.136 144.590 1.00 0.00 H ATOM 912 N GLU A 120 -22.491 -11.969 140.710 1.00 21.41 N ATOM 913 CA GLU A 120 -21.782 -12.422 139.521 1.00 21.84 C ATOM 914 C GLU A 120 -21.241 -11.231 138.746 1.00 21.18 C ATOM 915 O GLU A 120 -21.118 -11.282 137.538 1.00 20.78 O ATOM 916 CB GLU A 120 -22.710 -13.240 138.626 1.00 24.73 C ATOM 917 CG GLU A 120 -23.272 -14.455 139.342 1.00 27.99 C ATOM 918 CD GLU A 120 -24.354 -15.151 138.557 1.00 31.56 C ATOM 919 OE1 GLU A 120 -24.889 -14.515 137.626 1.00 32.83 O ATOM 920 OE2 GLU A 120 -24.689 -16.312 138.907 1.00 32.53 O ATOM 921 H GLU A 120 -23.207 -11.220 140.618 1.00 0.00 H ATOM 922 N THR A 121 -20.914 -10.178 139.458 1.00 19.47 N ATOM 923 CA THR A 121 -20.302 -9.015 138.863 1.00 18.82 C ATOM 924 C THR A 121 -19.185 -8.544 139.791 1.00 18.62 C ATOM 925 O THR A 121 -19.085 -8.992 140.949 1.00 19.79 O ATOM 926 CB THR A 121 -21.299 -7.866 138.688 1.00 18.52 C ATOM 927 OG1 THR A 121 -21.819 -7.466 139.972 1.00 19.65 O ATOM 928 CG2 THR A 121 -22.456 -8.260 137.805 1.00 18.69 C ATOM 929 HG1 THR A 121 -21.073 -7.166 140.550 1.00 0.00 H ATOM 930 H THR A 121 -21.102 -10.182 140.481 1.00 0.00 H ATOM 931 N PHE A 122 -18.383 -7.616 139.292 1.00 15.42 N ATOM 932 CA PHE A 122 -17.454 -6.866 140.134 1.00 14.91 C ATOM 933 C PHE A 122 -17.439 -5.404 139.618 1.00 13.99 C ATOM 934 O PHE A 122 -17.886 -5.149 138.500 1.00 13.59 O ATOM 935 CB PHE A 122 -16.063 -7.477 140.167 1.00 14.64 C ATOM 936 CG PHE A 122 -15.339 -7.460 138.857 1.00 15.00 C ATOM 937 CD1 PHE A 122 -15.492 -8.492 137.938 1.00 16.00 C ATOM 938 CD2 PHE A 122 -14.502 -6.414 138.532 1.00 14.65 C ATOM 939 CE1 PHE A 122 -14.777 -8.485 136.743 1.00 15.50 C ATOM 940 CE2 PHE A 122 -13.806 -6.392 137.346 1.00 14.71 C ATOM 941 CZ PHE A 122 -13.955 -7.433 136.436 1.00 15.95 C ATOM 942 H PHE A 122 -18.415 -7.415 138.272 1.00 0.00 H ATOM 943 N ASN A 123 -16.977 -4.483 140.435 1.00 13.44 N ATOM 944 CA ASN A 123 -16.966 -3.072 140.059 1.00 13.85 C ATOM 945 C ASN A 123 -15.558 -2.606 139.764 1.00 12.93 C ATOM 946 O ASN A 123 -14.607 -3.002 140.448 1.00 13.36 O ATOM 947 CB ASN A 123 -17.598 -2.229 141.155 1.00 14.98 C ATOM 948 CG ASN A 123 -19.023 -2.606 141.386 1.00 16.97 C ATOM 949 OD1 ASN A 123 -19.745 -2.937 140.444 1.00 17.13 O ATOM 950 ND2 ASN A 123 -19.444 -2.612 142.642 1.00 18.97 N ATOM 951 HD22 ASN A 123 -18.801 -2.325 143.407 1.00 0.00 H ATOM 952 HD21 ASN A 123 -20.417 -2.904 142.863 1.00 0.00 H ATOM 953 H ASN A 123 -16.612 -4.765 141.367 1.00 0.00 H ATOM 954 N LEU A 124 -15.435 -1.763 138.746 1.00 11.78 N ATOM 955 CA LEU A 124 -14.174 -1.250 138.297 1.00 11.96 C ATOM 956 C LEU A 124 -14.151 0.265 138.507 1.00 12.04 C ATOM 957 O LEU A 124 -15.122 0.936 138.139 1.00 12.18 O ATOM 958 CB LEU A 124 -14.052 -1.567 136.809 1.00 12.16 C ATOM 959 CG LEU A 124 -12.805 -1.098 136.080 1.00 12.73 C ATOM 960 CD1 LEU A 124 -11.600 -1.840 136.608 1.00 14.20 C ATOM 961 CD2 LEU A 124 -12.955 -1.263 134.572 1.00 13.16 C ATOM 962 H LEU A 124 -16.297 -1.459 138.249 1.00 0.00 H ATOM 963 N TYR A 125 -13.051 0.780 139.024 1.00 11.70 N ATOM 964 CA TYR A 125 -12.901 2.200 139.358 1.00 12.37 C ATOM 965 C TYR A 125 -11.542 2.738 138.973 1.00 12.43 C ATOM 966 O TYR A 125 -10.598 1.974 138.741 1.00 12.31 O ATOM 967 CB TYR A 125 -12.988 2.378 140.851 1.00 13.32 C ATOM 968 CG TYR A 125 -14.262 1.967 141.525 1.00 14.52 C ATOM 969 CD1 TYR A 125 -14.472 0.654 141.878 1.00 14.87 C ATOM 970 CD2 TYR A 125 -15.214 2.930 141.907 1.00 15.62 C ATOM 971 CE1 TYR A 125 -15.613 0.269 142.529 1.00 16.25 C ATOM 972 CE2 TYR A 125 -16.377 2.557 142.572 1.00 17.11 C ATOM 973 CZ TYR A 125 -16.549 1.221 142.885 1.00 16.90 C ATOM 974 OH TYR A 125 -17.670 0.782 143.559 1.00 18.22 O ATOM 975 HH TYR A 125 -17.612 -0.198 143.690 1.00 0.00 H ATOM 976 H TYR A 125 -12.248 0.145 139.204 1.00 0.00 H ATOM 977 N TYR A 126 -11.435 4.063 138.918 1.00 13.03 N ATOM 978 CA TYR A 126 -10.132 4.702 138.819 1.00 13.05 C ATOM 979 C TYR A 126 -10.027 5.910 139.726 1.00 13.72 C ATOM 980 O TYR A 126 -11.027 6.420 140.154 1.00 14.06 O ATOM 981 CB TYR A 126 -9.816 5.108 137.366 1.00 13.53 C ATOM 982 CG TYR A 126 -10.568 6.288 136.848 1.00 14.00 C ATOM 983 CD1 TYR A 126 -11.912 6.217 136.585 1.00 14.40 C ATOM 984 CD2 TYR A 126 -9.934 7.509 136.638 1.00 15.28 C ATOM 985 CE1 TYR A 126 -12.633 7.311 136.120 1.00 15.34 C ATOM 986 CE2 TYR A 126 -10.648 8.602 136.154 1.00 16.55 C ATOM 987 CZ TYR A 126 -11.996 8.492 135.894 1.00 17.16 C ATOM 988 OH TYR A 126 -12.734 9.554 135.419 1.00 18.55 O ATOM 989 HH TYR A 126 -13.675 9.272 135.298 1.00 0.00 H ATOM 990 H TYR A 126 -12.294 4.649 138.946 1.00 0.00 H ATOM 991 N TYR A 127 -8.793 6.340 139.977 1.00 14.13 N ATOM 992 CA TYR A 127 -8.494 7.531 140.767 1.00 15.30 C ATOM 993 C TYR A 127 -7.290 8.189 140.141 1.00 15.12 C ATOM 994 O TYR A 127 -6.237 7.574 140.019 1.00 14.52 O ATOM 995 CB TYR A 127 -8.176 7.159 142.219 1.00 16.54 C ATOM 996 CG TYR A 127 -7.588 8.282 143.058 1.00 17.95 C ATOM 997 CD1 TYR A 127 -8.343 9.431 143.310 1.00 19.12 C ATOM 998 CD2 TYR A 127 -6.308 8.211 143.573 1.00 19.12 C ATOM 999 CE1 TYR A 127 -7.825 10.457 144.040 1.00 21.31 C ATOM 1000 CE2 TYR A 127 -5.765 9.264 144.317 1.00 21.57 C ATOM 1001 CZ TYR A 127 -6.531 10.369 144.541 1.00 22.44 C ATOM 1002 OH TYR A 127 -6.045 11.386 145.309 1.00 26.73 O ATOM 1003 HH TYR A 127 -6.723 12.105 145.370 1.00 0.00 H ATOM 1004 H TYR A 127 -7.996 5.797 139.588 1.00 0.00 H ATOM 1005 N GLU A 128 -7.444 9.432 139.701 1.00 15.81 N ATOM 1006 CA GLU A 128 -6.321 10.140 139.105 1.00 16.93 C ATOM 1007 C GLU A 128 -5.460 10.800 140.154 1.00 18.59 C ATOM 1008 O GLU A 128 -5.982 11.358 141.123 1.00 19.10 O ATOM 1009 CB GLU A 128 -6.843 11.240 138.199 1.00 17.70 C ATOM 1010 CG GLU A 128 -7.681 10.770 137.034 1.00 17.35 C ATOM 1011 CD GLU A 128 -7.945 11.923 136.092 1.00 18.31 C ATOM 1012 OE1 GLU A 128 -6.967 12.372 135.442 1.00 19.45 O ATOM 1013 OE2 GLU A 128 -9.089 12.390 136.008 1.00 18.01 O ATOM 1014 H GLU A 128 -8.369 9.901 139.782 1.00 0.00 H ATOM 1015 N SER A 129 -4.158 10.797 139.942 1.00 20.00 N ATOM 1016 CA SER A 129 -3.250 11.447 140.880 1.00 22.28 C ATOM 1017 C SER A 129 -1.928 11.790 140.253 1.00 24.05 C ATOM 1018 O SER A 129 -1.418 11.041 139.427 1.00 23.34 O ATOM 1019 CB SER A 129 -2.999 10.547 142.106 1.00 22.79 C ATOM 1020 OG SER A 129 -2.192 11.244 143.049 1.00 24.22 O ATOM 1021 HG SER A 129 -2.031 10.665 143.836 1.00 0.00 H ATOM 1022 H SER A 129 -3.775 10.326 139.097 1.00 0.00 H ATOM 1023 N ASP A 130 -1.363 12.921 140.689 1.00 26.99 N ATOM 1024 CA ASP A 130 0.023 13.268 140.378 1.00 29.65 C ATOM 1025 C ASP A 130 1.008 12.492 141.265 1.00 31.88 C ATOM 1026 O ASP A 130 2.190 12.456 140.974 1.00 32.12 O ATOM 1027 CB ASP A 130 0.257 14.763 140.569 1.00 31.50 C ATOM 1028 CG ASP A 130 -0.452 15.616 139.542 1.00 31.37 C ATOM 1029 OD1 ASP A 130 -0.838 15.133 138.475 1.00 30.53 O ATOM 1030 OD2 ASP A 130 -0.573 16.815 139.788 1.00 33.88 O ATOM 1031 H ASP A 130 -1.928 13.575 141.268 1.00 0.00 H ATOM 1032 N ASN A 131 0.512 11.884 142.342 1.00 32.83 N ATOM 1033 CA ASN A 131 1.354 11.202 143.329 1.00 34.33 C ATOM 1034 C ASN A 131 1.433 9.742 142.999 1.00 33.27 C ATOM 1035 O ASN A 131 0.427 9.021 143.033 1.00 31.62 O ATOM 1036 CB ASN A 131 0.783 11.409 144.736 1.00 35.45 C ATOM 1037 CG ASN A 131 1.646 10.794 145.841 1.00 37.59 C ATOM 1038 OD1 ASN A 131 2.623 10.076 145.590 1.00 36.21 O ATOM 1039 ND2 ASN A 131 1.259 11.067 147.082 1.00 38.42 N ATOM 1040 HD22 ASN A 131 0.432 11.675 147.247 1.00 0.00 H ATOM 1041 HD21 ASN A 131 1.783 10.672 147.889 1.00 0.00 H ATOM 1042 H ASN A 131 -0.518 11.894 142.489 1.00 0.00 H ATOM 1043 N ASP A 132 2.633 9.302 142.680 1.00 33.35 N ATOM 1044 CA ASP A 132 2.868 7.932 142.290 1.00 34.29 C ATOM 1045 C ASP A 132 3.105 6.977 143.456 1.00 34.56 C ATOM 1046 O ASP A 132 3.361 5.801 143.237 1.00 34.49 O ATOM 1047 CB ASP A 132 4.034 7.860 141.306 1.00 36.68 C ATOM 1048 CG ASP A 132 5.347 8.317 141.914 1.00 40.80 C ATOM 1049 OD1 ASP A 132 5.358 9.254 142.741 1.00 45.73 O ATOM 1050 OD2 ASP A 132 6.375 7.753 141.520 1.00 45.31 O ATOM 1051 H ASP A 132 3.436 9.962 142.710 1.00 0.00 H ATOM 1052 N LYS A 133 3.015 7.475 144.687 1.00 36.32 N ATOM 1053 CA LYS A 133 3.229 6.638 145.858 1.00 38.04 C ATOM 1054 C LYS A 133 2.134 6.890 146.887 1.00 38.39 C ATOM 1055 O LYS A 133 2.408 7.029 148.079 1.00 36.56 O ATOM 1056 CB LYS A 133 4.610 6.934 146.462 1.00 41.23 C ATOM 1057 CG LYS A 133 5.770 6.553 145.544 1.00 43.68 C ATOM 1058 CD LYS A 133 7.107 7.017 146.116 1.00 46.94 C ATOM 1059 CE LYS A 133 7.351 8.515 145.916 1.00 49.47 C ATOM 1060 NZ LYS A 133 7.908 8.813 144.561 1.00 50.13 N ATOM 1061 HZ1 LYS A 133 8.814 8.316 144.443 1.00 0.00 H ATOM 1062 HZ2 LYS A 133 7.238 8.492 143.834 1.00 0.00 H ATOM 1063 HZ3 LYS A 133 8.058 9.838 144.467 1.00 0.00 H ATOM 1064 H LYS A 133 2.787 8.482 144.814 1.00 0.00 H ATOM 1065 N GLU A 134 0.890 6.969 146.422 1.00 37.02 N ATOM 1066 CA GLU A 134 -0.248 7.147 147.311 1.00 37.92 C ATOM 1067 C GLU A 134 -0.358 5.934 148.204 1.00 38.09 C ATOM 1068 O GLU A 134 -0.123 4.812 147.770 1.00 35.22 O ATOM 1069 CB GLU A 134 -1.566 7.222 146.535 1.00 38.15 C ATOM 1070 CG GLU A 134 -1.722 8.431 145.646 1.00 38.64 C ATOM 1071 CD GLU A 134 -2.444 9.577 146.311 1.00 39.27 C ATOM 1072 OE1 GLU A 134 -2.642 9.531 147.537 1.00 41.19 O ATOM 1073 OE2 GLU A 134 -2.809 10.533 145.598 1.00 36.20 O ATOM 1074 H GLU A 134 0.727 6.902 145.397 1.00 0.00 H ATOM 1075 N ARG A 135 -0.739 6.165 149.447 1.00 40.31 N ATOM 1076 CA ARG A 135 -1.221 5.083 150.288 1.00 42.84 C ATOM 1077 C ARG A 135 -2.579 5.384 150.913 1.00 40.16 C ATOM 1078 O ARG A 135 -2.992 6.534 151.055 1.00 39.87 O ATOM 1079 CB ARG A 135 -0.182 4.752 151.337 1.00 46.77 C ATOM 1080 CG ARG A 135 1.118 4.308 150.682 1.00 51.02 C ATOM 1081 CD ARG A 135 2.189 3.934 151.688 1.00 54.62 C ATOM 1082 NE ARG A 135 1.679 2.970 152.656 1.00 58.74 N ATOM 1083 CZ ARG A 135 2.385 2.497 153.672 1.00 63.80 C ATOM 1084 NH1 ARG A 135 3.632 2.913 153.856 1.00 64.38 N ATOM 1085 NH2 ARG A 135 1.844 1.615 154.506 1.00 66.04 N ATOM 1086 HE ARG A 135 0.702 2.633 152.542 1.00 0.00 H ATOM 1087 HH12 ARG A 135 4.191 2.545 154.652 1.00 0.00 H ATOM 1088 HH11 ARG A 135 4.050 3.607 153.204 1.00 0.00 H ATOM 1089 HH22 ARG A 135 2.400 1.245 155.303 1.00 0.00 H ATOM 1090 HH21 ARG A 135 0.865 1.295 154.361 1.00 0.00 H ATOM 1091 H ARG A 135 -0.694 7.132 149.828 1.00 0.00 H ATOM 1092 N PHE A 136 -3.284 4.309 151.223 1.00 41.70 N ATOM 1093 CA PHE A 136 -4.643 4.365 151.734 1.00 41.96 C ATOM 1094 C PHE A 136 -5.480 5.480 151.086 1.00 39.05 C ATOM 1095 O PHE A 136 -5.837 6.481 151.707 1.00 39.49 O ATOM 1096 CB PHE A 136 -4.615 4.465 153.254 1.00 46.13 C ATOM 1097 CG PHE A 136 -3.666 3.481 153.890 1.00 47.74 C ATOM 1098 CD1 PHE A 136 -4.025 2.147 154.060 1.00 49.11 C ATOM 1099 CD2 PHE A 136 -2.395 3.883 154.274 1.00 49.28 C ATOM 1100 CE1 PHE A 136 -3.134 1.248 154.637 1.00 49.92 C ATOM 1101 CE2 PHE A 136 -1.504 2.992 154.846 1.00 48.69 C ATOM 1102 CZ PHE A 136 -1.872 1.672 155.026 1.00 49.60 C ATOM 1103 H PHE A 136 -2.843 3.376 151.094 1.00 0.00 H ATOM 1104 N ILE A 137 -5.805 5.246 149.823 1.00 34.40 N ATOM 1105 CA ILE A 137 -6.711 6.087 149.056 1.00 32.54 C ATOM 1106 C ILE A 137 -8.084 5.703 149.598 1.00 30.35 C ATOM 1107 O ILE A 137 -8.394 4.508 149.699 1.00 26.03 O ATOM 1108 CB ILE A 137 -6.645 5.761 147.531 1.00 31.43 C ATOM 1109 CG1 ILE A 137 -5.218 5.989 146.987 1.00 32.41 C ATOM 1110 CG2 ILE A 137 -7.650 6.607 146.758 1.00 31.24 C ATOM 1111 CD1 ILE A 137 -4.904 5.288 145.679 1.00 32.60 C ATOM 1112 H ILE A 137 -5.390 4.416 149.354 1.00 0.00 H ATOM 1113 N ARG A 138 -8.914 6.693 149.917 1.00 29.71 N ATOM 1114 CA ARG A 138 -10.260 6.407 150.428 1.00 29.69 C ATOM 1115 C ARG A 138 -11.163 5.817 149.352 1.00 28.48 C ATOM 1116 O ARG A 138 -11.055 6.180 148.163 1.00 26.22 O ATOM 1117 CB ARG A 138 -10.922 7.675 150.969 1.00 31.10 C ATOM 1118 CG ARG A 138 -10.195 8.355 152.115 1.00 33.33 C ATOM 1119 CD ARG A 138 -11.017 9.548 152.589 1.00 35.39 C ATOM 1120 NE ARG A 138 -11.306 10.552 151.565 1.00 37.20 N ATOM 1121 CZ ARG A 138 -10.460 11.484 151.120 1.00 38.49 C ATOM 1122 NH1 ARG A 138 -10.868 12.338 150.193 1.00 39.52 N ATOM 1123 NH2 ARG A 138 -9.223 11.582 151.594 1.00 39.40 N ATOM 1124 HE ARG A 138 -12.257 10.538 151.145 1.00 0.00 H ATOM 1125 HH12 ARG A 138 -10.219 13.069 149.838 1.00 0.00 H ATOM 1126 HH11 ARG A 138 -11.837 12.277 149.821 1.00 0.00 H ATOM 1127 HH22 ARG A 138 -8.584 12.317 151.230 1.00 0.00 H ATOM 1128 HH21 ARG A 138 -8.894 10.924 152.329 1.00 0.00 H ATOM 1129 H ARG A 138 -8.606 7.680 149.803 1.00 0.00 H ATOM 1130 N GLU A 139 -12.096 4.955 149.753 1.00 27.74 N ATOM 1131 CA GLU A 139 -13.109 4.444 148.822 1.00 27.00 C ATOM 1132 C GLU A 139 -13.772 5.559 148.084 1.00 25.32 C ATOM 1133 O GLU A 139 -13.985 5.454 146.876 1.00 23.22 O ATOM 1134 CB GLU A 139 -14.222 3.663 149.530 1.00 30.14 C ATOM 1135 CG GLU A 139 -13.927 2.218 149.789 1.00 31.82 C ATOM 1136 CD GLU A 139 -15.131 1.486 150.365 1.00 32.08 C ATOM 1137 OE1 GLU A 139 -16.190 1.441 149.706 1.00 32.74 O ATOM 1138 OE2 GLU A 139 -14.996 0.912 151.459 1.00 34.73 O ATOM 1139 H GLU A 139 -12.107 4.638 150.744 1.00 0.00 H ATOM 1140 N ASN A 140 -14.112 6.645 148.780 1.00 24.76 N ATOM 1141 CA ASN A 140 -14.865 7.710 148.115 1.00 24.87 C ATOM 1142 C ASN A 140 -14.026 8.582 147.169 1.00 24.31 C ATOM 1143 O ASN A 140 -14.548 9.521 146.568 1.00 24.69 O ATOM 1144 CB ASN A 140 -15.646 8.567 149.131 1.00 27.16 C ATOM 1145 CG ASN A 140 -14.760 9.426 149.995 1.00 27.93 C ATOM 1146 OD1 ASN A 140 -13.552 9.541 149.780 1.00 27.82 O ATOM 1147 ND2 ASN A 140 -15.367 10.055 150.995 1.00 31.12 N ATOM 1148 HD22 ASN A 140 -16.389 9.932 151.143 1.00 0.00 H ATOM 1149 HD21 ASN A 140 -14.820 10.671 151.630 1.00 0.00 H ATOM 1150 H ASN A 140 -13.846 6.734 149.781 1.00 0.00 H ATOM 1151 N GLN A 141 -12.733 8.297 147.046 1.00 24.42 N ATOM 1152 CA GLN A 141 -11.919 9.014 146.072 1.00 24.66 C ATOM 1153 C GLN A 141 -11.977 8.317 144.713 1.00 22.95 C ATOM 1154 O GLN A 141 -11.689 8.944 143.705 1.00 22.46 O ATOM 1155 CB GLN A 141 -10.489 9.151 146.556 1.00 25.92 C ATOM 1156 CG GLN A 141 -10.355 10.066 147.758 1.00 28.92 C ATOM 1157 CD GLN A 141 -8.920 10.189 148.208 1.00 31.27 C ATOM 1158 OE1 GLN A 141 -8.450 9.427 149.066 1.00 35.37 O ATOM 1159 NE2 GLN A 141 -8.197 11.137 147.621 1.00 31.68 N ATOM 1160 HE22 GLN A 141 -8.632 11.755 146.906 1.00 0.00 H ATOM 1161 HE21 GLN A 141 -7.197 11.261 147.877 1.00 0.00 H ATOM 1162 H GLN A 141 -12.303 7.563 147.644 1.00 0.00 H ATOM 1163 N PHE A 142 -12.401 7.052 144.689 1.00 20.71 N ATOM 1164 CA PHE A 142 -12.449 6.276 143.455 1.00 20.16 C ATOM 1165 C PHE A 142 -13.694 6.574 142.647 1.00 19.57 C ATOM 1166 O PHE A 142 -14.771 6.760 143.210 1.00 21.62 O ATOM 1167 CB PHE A 142 -12.341 4.777 143.750 1.00 19.18 C ATOM 1168 CG PHE A 142 -10.931 4.332 143.970 1.00 19.80 C ATOM 1169 CD1 PHE A 142 -10.127 4.075 142.889 1.00 18.60 C ATOM 1170 CD2 PHE A 142 -10.409 4.198 145.246 1.00 21.27 C ATOM 1171 CE1 PHE A 142 -8.820 3.693 143.056 1.00 20.03 C ATOM 1172 CE2 PHE A 142 -9.092 3.796 145.425 1.00 22.18 C ATOM 1173 CZ PHE A 142 -8.302 3.553 144.324 1.00 21.49 C ATOM 1174 H PHE A 142 -12.707 6.606 145.577 1.00 0.00 H ATOM 1175 N VAL A 143 -13.524 6.701 141.336 1.00 17.78 N ATOM 1176 CA VAL A 143 -14.612 7.048 140.423 1.00 17.68 C ATOM 1177 C VAL A 143 -15.012 5.778 139.681 1.00 16.33 C ATOM 1178 O VAL A 143 -14.148 5.120 139.101 1.00 15.09 O ATOM 1179 CB VAL A 143 -14.136 8.107 139.417 1.00 18.06 C ATOM 1180 CG1 VAL A 143 -15.208 8.417 138.381 1.00 18.41 C ATOM 1181 CG2 VAL A 143 -13.663 9.371 140.152 1.00 19.45 C ATOM 1182 H VAL A 143 -12.574 6.547 140.941 1.00 0.00 H ATOM 1183 N LYS A 144 -16.302 5.447 139.693 1.00 15.96 N ATOM 1184 CA LYS A 144 -16.741 4.196 139.085 1.00 16.35 C ATOM 1185 C LYS A 144 -16.694 4.284 137.556 1.00 15.13 C ATOM 1186 O LYS A 144 -17.182 5.266 136.974 1.00 16.08 O ATOM 1187 CB LYS A 144 -18.145 3.797 139.544 1.00 17.98 C ATOM 1188 CG LYS A 144 -18.513 2.395 139.103 1.00 19.41 C ATOM 1189 CD LYS A 144 -19.878 1.986 139.589 1.00 22.94 C ATOM 1190 CE LYS A 144 -20.127 0.522 139.305 1.00 24.51 C ATOM 1191 NZ LYS A 144 -21.463 0.136 139.822 1.00 27.56 N ATOM 1192 HZ1 LYS A 144 -21.497 0.301 140.848 1.00 0.00 H ATOM 1193 HZ2 LYS A 144 -22.194 0.709 139.353 1.00 0.00 H ATOM 1194 HZ3 LYS A 144 -21.632 -0.871 139.625 1.00 0.00 H ATOM 1195 H LYS A 144 -16.997 6.081 140.136 1.00 0.00 H ATOM 1196 N ILE A 145 -16.098 3.263 136.929 1.00 13.32 N ATOM 1197 CA ILE A 145 -16.090 3.102 135.471 1.00 13.10 C ATOM 1198 C ILE A 145 -17.293 2.278 135.032 1.00 13.52 C ATOM 1199 O ILE A 145 -18.080 2.688 134.180 1.00 13.02 O ATOM 1200 CB ILE A 145 -14.801 2.398 135.017 1.00 12.73 C ATOM 1201 CG1 ILE A 145 -13.618 3.311 135.342 1.00 12.51 C ATOM 1202 CG2 ILE A 145 -14.855 2.037 133.526 1.00 12.56 C ATOM 1203 CD1 ILE A 145 -12.260 2.662 135.215 1.00 12.49 C ATOM 1204 H ILE A 145 -15.615 2.545 137.506 1.00 0.00 H ATOM 1205 N ASP A 146 -17.474 1.129 135.659 1.00 13.15 N ATOM 1206 CA ASP A 146 -18.609 0.262 135.346 1.00 14.69 C ATOM 1207 C ASP A 146 -18.724 -0.904 136.300 1.00 14.83 C ATOM 1208 O ASP A 146 -17.776 -1.215 137.039 1.00 15.50 O ATOM 1209 CB ASP A 146 -18.471 -0.347 133.931 1.00 15.35 C ATOM 1210 CG ASP A 146 -19.796 -0.655 133.277 1.00 17.65 C ATOM 1211 OD1 ASP A 146 -20.890 -0.360 133.840 1.00 18.01 O ATOM 1212 OD2 ASP A 146 -19.763 -1.190 132.111 1.00 19.06 O ATOM 1213 H ASP A 146 -16.795 0.835 136.390 1.00 0.00 H ATOM 1214 N THR A 147 -19.892 -1.527 136.297 1.00 14.94 N ATOM 1215 CA THR A 147 -20.069 -2.854 136.864 1.00 16.47 C ATOM 1216 C THR A 147 -19.748 -3.831 135.750 1.00 16.76 C ATOM 1217 O THR A 147 -20.319 -3.704 134.672 1.00 17.48 O ATOM 1218 CB THR A 147 -21.523 -3.063 137.292 1.00 18.07 C ATOM 1219 OG1 THR A 147 -21.822 -2.140 138.344 1.00 19.73 O ATOM 1220 CG2 THR A 147 -21.745 -4.517 137.789 1.00 19.46 C ATOM 1221 HG1 THR A 147 -21.216 -2.306 139.109 1.00 0.00 H ATOM 1222 H THR A 147 -20.713 -1.050 135.873 1.00 0.00 H ATOM 1223 N ILE A 148 -18.843 -4.763 135.995 1.00 14.57 N ATOM 1224 CA ILE A 148 -18.387 -5.714 134.989 1.00 14.43 C ATOM 1225 C ILE A 148 -19.033 -7.061 135.238 1.00 14.30 C ATOM 1226 O ILE A 148 -19.020 -7.553 136.361 1.00 13.97 O ATOM 1227 CB ILE A 148 -16.852 -5.898 135.035 1.00 14.38 C ATOM 1228 CG1 ILE A 148 -16.122 -4.542 134.953 1.00 15.10 C ATOM 1229 CG2 ILE A 148 -16.384 -6.859 133.949 1.00 14.85 C ATOM 1230 CD1 ILE A 148 -16.380 -3.798 133.667 1.00 15.27 C ATOM 1231 H ILE A 148 -18.437 -4.820 136.951 1.00 0.00 H ATOM 1232 N ALA A 149 -19.620 -7.635 134.179 1.00 14.05 N ATOM 1233 CA ALA A 149 -20.254 -8.927 134.227 1.00 14.73 C ATOM 1234 C ALA A 149 -19.729 -9.815 133.100 1.00 14.57 C ATOM 1235 O ALA A 149 -19.217 -9.324 132.094 1.00 14.25 O ATOM 1236 CB ALA A 149 -21.735 -8.772 134.091 1.00 15.66 C ATOM 1237 H ALA A 149 -19.618 -7.120 133.275 1.00 0.00 H ATOM 1238 N ALA A 150 -19.876 -11.121 133.261 1.00 16.65 N ATOM 1239 CA ALA A 150 -19.687 -12.020 132.121 1.00 19.11 C ATOM 1240 C ALA A 150 -20.746 -11.641 131.112 1.00 21.70 C ATOM 1241 O ALA A 150 -21.941 -11.488 131.460 1.00 26.75 O ATOM 1242 CB ALA A 150 -19.828 -13.460 132.525 1.00 20.84 C ATOM 1243 H ALA A 150 -20.125 -11.507 134.194 1.00 0.00 H ATOM 1244 N ASP A 151 -20.369 -11.403 129.882 1.00 20.30 N ATOM 1245 CA ASP A 151 -21.349 -10.991 128.906 1.00 23.44 C ATOM 1246 C ASP A 151 -21.047 -11.894 127.713 1.00 25.23 C ATOM 1247 O ASP A 151 -20.682 -13.049 127.917 1.00 26.47 O ATOM 1248 CB ASP A 151 -21.244 -9.489 128.640 1.00 24.46 C ATOM 1249 CG ASP A 151 -22.470 -8.903 127.906 1.00 29.11 C ATOM 1250 OD1 ASP A 151 -23.470 -9.611 127.670 1.00 32.16 O ATOM 1251 OD2 ASP A 151 -22.419 -7.706 127.549 1.00 36.56 O ATOM 1252 H ASP A 151 -19.371 -11.510 129.610 1.00 0.00 H ATOM 1253 N GLU A 152 -21.093 -11.382 126.513 1.00 24.68 N ATOM 1254 CA GLU A 152 -21.061 -12.276 125.345 1.00 27.21 C ATOM 1255 C GLU A 152 -19.655 -12.650 124.900 1.00 21.69 C ATOM 1256 O GLU A 152 -19.427 -13.667 124.197 1.00 25.19 O ATOM 1257 CB GLU A 152 -21.684 -11.527 124.162 1.00 32.91 C ATOM 1258 CG GLU A 152 -23.053 -10.899 124.361 1.00 40.93 C ATOM 1259 CD GLU A 152 -23.497 -10.054 123.170 1.00 46.94 C ATOM 1260 OE1 GLU A 152 -22.755 -9.962 122.164 1.00 57.09 O ATOM 1261 OE2 GLU A 152 -24.588 -9.453 123.245 1.00 54.51 O ATOM 1262 H GLU A 152 -21.152 -10.352 126.384 1.00 0.00 H ATOM 1263 N SER A 153 -18.690 -11.843 125.303 1.00 17.94 N ATOM 1264 CA SER A 153 -17.405 -11.851 124.663 1.00 16.01 C ATOM 1265 C SER A 153 -16.436 -12.682 125.453 1.00 14.44 C ATOM 1266 O SER A 153 -16.322 -12.493 126.660 1.00 13.66 O ATOM 1267 CB SER A 153 -16.864 -10.420 124.557 1.00 15.64 C ATOM 1268 OG SER A 153 -17.775 -9.636 123.815 1.00 16.26 O ATOM 1269 HG SER A 153 -18.652 -9.628 124.274 1.00 0.00 H ATOM 1270 H SER A 153 -18.864 -11.192 126.096 1.00 0.00 H ATOM 1271 N PHE A 154 -15.722 -13.562 124.764 1.00 13.60 N ATOM 1272 CA PHE A 154 -14.752 -14.417 125.415 1.00 13.22 C ATOM 1273 C PHE A 154 -13.481 -14.504 124.622 1.00 12.78 C ATOM 1274 O PHE A 154 -13.437 -14.160 123.440 1.00 12.24 O ATOM 1275 CB PHE A 154 -15.310 -15.798 125.753 1.00 14.81 C ATOM 1276 CG PHE A 154 -15.624 -16.637 124.597 1.00 16.34 C ATOM 1277 CD1 PHE A 154 -14.729 -17.604 124.133 1.00 18.27 C ATOM 1278 CD2 PHE A 154 -16.901 -16.602 124.077 1.00 17.86 C ATOM 1279 CE1 PHE A 154 -15.074 -18.436 123.056 1.00 18.55 C ATOM 1280 CE2 PHE A 154 -17.251 -17.419 123.010 1.00 18.42 C ATOM 1281 CZ PHE A 154 -16.341 -18.342 122.506 1.00 18.60 C ATOM 1282 H PHE A 154 -15.862 -13.639 123.736 1.00 0.00 H ATOM 1283 N THR A 155 -12.448 -15.017 125.261 1.00 12.31 N ATOM 1284 CA THR A 155 -11.188 -15.283 124.595 1.00 13.44 C ATOM 1285 C THR A 155 -10.723 -16.668 125.065 1.00 13.99 C ATOM 1286 O THR A 155 -11.212 -17.177 126.083 1.00 13.56 O ATOM 1287 CB THR A 155 -10.152 -14.206 124.919 1.00 14.11 C ATOM 1288 OG1 THR A 155 -9.015 -14.362 124.076 1.00 16.29 O ATOM 1289 CG2 THR A 155 -9.738 -14.262 126.370 1.00 14.02 C ATOM 1290 HG1 THR A 155 -8.348 -13.662 124.290 1.00 0.00 H ATOM 1291 H THR A 155 -12.540 -15.237 126.273 1.00 0.00 H ATOM 1292 N GLN A 156 -9.817 -17.264 124.309 1.00 15.04 N ATOM 1293 CA GLN A 156 -9.232 -18.552 124.675 1.00 16.84 C ATOM 1294 C GLN A 156 -7.736 -18.365 124.814 1.00 16.71 C ATOM 1295 O GLN A 156 -7.086 -17.784 123.937 1.00 19.35 O ATOM 1296 CB GLN A 156 -9.593 -19.611 123.635 1.00 19.79 C ATOM 1297 CG GLN A 156 -11.013 -20.072 123.873 1.00 23.70 C ATOM 1298 CD GLN A 156 -11.572 -20.955 122.802 1.00 29.15 C ATOM 1299 OE1 GLN A 156 -11.217 -20.837 121.628 1.00 34.48 O ATOM 1300 NE2 GLN A 156 -12.477 -21.831 123.192 1.00 32.63 N ATOM 1301 HE22 GLN A 156 -12.743 -21.892 124.196 1.00 0.00 H ATOM 1302 HE21 GLN A 156 -12.925 -22.461 122.496 1.00 0.00 H ATOM 1303 H GLN A 156 -9.512 -16.803 123.428 1.00 0.00 H ATOM 1304 N VAL A 157 -7.186 -18.778 125.937 1.00 14.46 N ATOM 1305 CA VAL A 157 -5.766 -18.648 126.200 1.00 14.36 C ATOM 1306 C VAL A 157 -5.200 -20.064 126.361 1.00 14.10 C ATOM 1307 O VAL A 157 -5.454 -20.694 127.363 1.00 13.25 O ATOM 1308 CB VAL A 157 -5.495 -17.816 127.472 1.00 14.77 C ATOM 1309 CG1 VAL A 157 -3.988 -17.669 127.720 1.00 16.40 C ATOM 1310 CG2 VAL A 157 -6.149 -16.448 127.370 1.00 15.78 C ATOM 1311 H VAL A 157 -7.792 -19.213 126.661 1.00 0.00 H ATOM 1312 N ASP A 158 -4.439 -20.510 125.373 1.00 14.25 N ATOM 1313 CA ASP A 158 -3.818 -21.803 125.393 1.00 15.15 C ATOM 1314 C ASP A 158 -2.600 -21.760 126.306 1.00 15.47 C ATOM 1315 O ASP A 158 -1.647 -21.002 126.052 1.00 16.66 O ATOM 1316 CB ASP A 158 -3.435 -22.206 123.971 1.00 16.44 C ATOM 1317 CG ASP A 158 -2.914 -23.613 123.861 1.00 17.50 C ATOM 1318 OD1 ASP A 158 -2.507 -24.251 124.844 1.00 16.58 O ATOM 1319 OD2 ASP A 158 -2.881 -24.088 122.698 1.00 21.44 O ATOM 1320 H ASP A 158 -4.285 -19.897 124.547 1.00 0.00 H ATOM 1321 N ILE A 159 -2.634 -22.523 127.406 1.00 14.19 N ATOM 1322 CA ILE A 159 -1.499 -22.557 128.346 1.00 13.56 C ATOM 1323 C ILE A 159 -0.813 -23.918 128.400 1.00 13.96 C ATOM 1324 O ILE A 159 -0.057 -24.165 129.318 1.00 14.32 O ATOM 1325 CB ILE A 159 -1.889 -22.091 129.771 1.00 13.07 C ATOM 1326 CG1 ILE A 159 -2.899 -23.015 130.432 1.00 13.08 C ATOM 1327 CG2 ILE A 159 -2.445 -20.680 129.727 1.00 12.67 C ATOM 1328 CD1 ILE A 159 -3.156 -22.719 131.894 1.00 12.88 C ATOM 1329 H ILE A 159 -3.476 -23.102 127.601 1.00 0.00 H ATOM 1330 N GLY A 160 -1.084 -24.770 127.416 1.00 13.73 N ATOM 1331 CA GLY A 160 -0.437 -26.101 127.292 1.00 14.35 C ATOM 1332 C GLY A 160 -1.441 -27.175 127.681 1.00 14.15 C ATOM 1333 O GLY A 160 -2.175 -27.672 126.837 1.00 14.48 O ATOM 1334 H GLY A 160 -1.783 -24.491 126.698 1.00 0.00 H ATOM 1335 N ASP A 161 -1.507 -27.466 128.978 1.00 13.29 N ATOM 1336 CA ASP A 161 -2.385 -28.561 129.462 1.00 13.40 C ATOM 1337 C ASP A 161 -3.870 -28.226 129.259 1.00 13.06 C ATOM 1338 O ASP A 161 -4.696 -29.116 129.110 1.00 13.03 O ATOM 1339 CB ASP A 161 -2.112 -28.764 130.942 1.00 13.10 C ATOM 1340 CG ASP A 161 -2.857 -29.946 131.529 1.00 13.19 C ATOM 1341 OD1 ASP A 161 -2.532 -31.093 131.150 1.00 13.60 O ATOM 1342 OD2 ASP A 161 -3.735 -29.684 132.381 1.00 12.74 O ATOM 1343 H ASP A 161 -0.939 -26.922 129.658 1.00 0.00 H ATOM 1344 N ARG A 162 -4.191 -26.938 129.301 1.00 12.82 N ATOM 1345 CA ARG A 162 -5.555 -26.441 129.233 1.00 13.77 C ATOM 1346 C ARG A 162 -5.633 -25.247 128.332 1.00 13.21 C ATOM 1347 O ARG A 162 -4.613 -24.601 128.068 1.00 12.35 O ATOM 1348 CB ARG A 162 -5.997 -25.934 130.585 1.00 14.76 C ATOM 1349 CG ARG A 162 -5.937 -26.860 131.719 1.00 17.79 C ATOM 1350 CD ARG A 162 -6.759 -28.095 131.452 1.00 20.23 C ATOM 1351 NE ARG A 162 -8.132 -27.767 131.140 1.00 22.32 N ATOM 1352 CZ ARG A 162 -9.090 -27.614 132.032 1.00 25.21 C ATOM 1353 NH1 ARG A 162 -8.856 -27.778 133.354 1.00 28.29 N ATOM 1354 NH2 ARG A 162 -10.300 -27.325 131.608 1.00 29.54 N ATOM 1355 HE ARG A 162 -8.382 -27.643 130.138 1.00 0.00 H ATOM 1356 HH12 ARG A 162 -9.629 -27.652 134.038 1.00 0.00 H ATOM 1357 HH11 ARG A 162 -7.903 -28.030 133.686 1.00 0.00 H ATOM 1358 HH22 ARG A 162 -11.074 -27.199 132.291 1.00 0.00 H ATOM 1359 HH21 ARG A 162 -10.483 -27.222 130.589 1.00 0.00 H ATOM 1360 H ARG A 162 -3.421 -26.244 129.388 1.00 0.00 H ATOM 1361 N ILE A 163 -6.840 -24.980 127.865 1.00 13.52 N ATOM 1362 CA ILE A 163 -7.145 -23.723 127.196 1.00 13.81 C ATOM 1363 C ILE A 163 -8.109 -22.988 128.109 1.00 13.70 C ATOM 1364 O ILE A 163 -9.226 -23.461 128.354 1.00 13.56 O ATOM 1365 CB ILE A 163 -7.734 -23.951 125.793 1.00 15.31 C ATOM 1366 CG1 ILE A 163 -6.669 -24.582 124.902 1.00 16.46 C ATOM 1367 CG2 ILE A 163 -8.215 -22.641 125.195 1.00 15.53 C ATOM 1368 CD1 ILE A 163 -7.217 -25.353 123.724 1.00 17.55 C ATOM 1369 H ILE A 163 -7.594 -25.688 127.978 1.00 0.00 H ATOM 1370 N MET A 164 -7.697 -21.824 128.596 1.00 12.70 N ATOM 1371 CA MET A 164 -8.542 -21.047 129.505 1.00 13.25 C ATOM 1372 C MET A 164 -9.563 -20.316 128.693 1.00 13.16 C ATOM 1373 O MET A 164 -9.181 -19.586 127.780 1.00 13.68 O ATOM 1374 CB MET A 164 -7.718 -20.043 130.292 1.00 13.31 C ATOM 1375 CG MET A 164 -6.656 -20.642 131.202 1.00 14.13 C ATOM 1376 SD MET A 164 -5.914 -19.438 132.343 1.00 15.93 S ATOM 1377 CE MET A 164 -5.123 -18.351 131.201 1.00 14.98 C ATOM 1378 H MET A 164 -6.761 -21.459 128.328 1.00 0.00 H ATOM 1379 N LYS A 165 -10.852 -20.580 128.938 1.00 13.73 N ATOM 1380 CA LYS A 165 -11.919 -19.866 128.271 1.00 14.16 C ATOM 1381 C LYS A 165 -12.333 -18.770 129.233 1.00 13.09 C ATOM 1382 O LYS A 165 -12.880 -19.020 130.307 1.00 12.42 O ATOM 1383 CB LYS A 165 -13.108 -20.742 127.938 1.00 16.96 C ATOM 1384 CG LYS A 165 -14.166 -19.971 127.167 1.00 19.18 C ATOM 1385 CD LYS A 165 -15.342 -20.841 126.707 1.00 21.90 C ATOM 1386 CE LYS A 165 -16.487 -19.946 126.231 1.00 24.23 C ATOM 1387 NZ LYS A 165 -17.481 -20.715 125.458 1.00 27.93 N ATOM 1388 HZ1 LYS A 165 -17.021 -21.136 124.626 1.00 0.00 H ATOM 1389 HZ2 LYS A 165 -17.876 -21.469 126.056 1.00 0.00 H ATOM 1390 HZ3 LYS A 165 -18.245 -20.080 125.149 1.00 0.00 H ATOM 1391 H LYS A 165 -11.094 -21.320 129.628 1.00 0.00 H ATOM 1392 N LEU A 166 -12.050 -17.539 128.846 1.00 11.82 N ATOM 1393 CA LEU A 166 -12.208 -16.397 129.749 1.00 12.11 C ATOM 1394 C LEU A 166 -13.111 -15.338 129.147 1.00 12.07 C ATOM 1395 O LEU A 166 -13.098 -15.111 127.925 1.00 13.39 O ATOM 1396 CB LEU A 166 -10.845 -15.763 129.992 1.00 11.12 C ATOM 1397 CG LEU A 166 -9.831 -16.696 130.650 1.00 11.67 C ATOM 1398 CD1 LEU A 166 -8.488 -16.032 130.663 1.00 11.70 C ATOM 1399 CD2 LEU A 166 -10.241 -17.140 132.004 1.00 11.98 C ATOM 1400 H LEU A 166 -11.707 -17.377 127.878 1.00 0.00 H ATOM 1401 N ASN A 167 -13.907 -14.701 129.981 1.00 11.68 N ATOM 1402 CA ASN A 167 -14.612 -13.510 129.516 1.00 11.69 C ATOM 1403 C ASN A 167 -13.585 -12.436 129.260 1.00 10.94 C ATOM 1404 O ASN A 167 -12.527 -12.382 129.911 1.00 10.25 O ATOM 1405 CB ASN A 167 -15.577 -13.039 130.575 1.00 13.07 C ATOM 1406 CG ASN A 167 -16.620 -14.070 130.902 1.00 15.69 C ATOM 1407 OD1 ASN A 167 -16.521 -14.744 131.900 1.00 19.56 O ATOM 1408 ND2 ASN A 167 -17.591 -14.210 130.060 1.00 16.96 N ATOM 1409 HD22 ASN A 167 -17.636 -13.607 129.214 1.00 0.00 H ATOM 1410 HD21 ASN A 167 -18.327 -14.925 130.229 1.00 0.00 H ATOM 1411 H ASN A 167 -14.031 -15.041 130.956 1.00 0.00 H ATOM 1412 N THR A 168 -13.856 -11.613 128.251 1.00 10.96 N ATOM 1413 CA THR A 168 -12.992 -10.497 127.926 1.00 11.54 C ATOM 1414 C THR A 168 -13.861 -9.243 127.794 1.00 11.73 C ATOM 1415 O THR A 168 -14.892 -9.261 127.112 1.00 12.66 O ATOM 1416 CB THR A 168 -12.121 -10.754 126.673 1.00 12.43 C ATOM 1417 OG1 THR A 168 -11.213 -9.658 126.493 1.00 14.97 O ATOM 1418 CG2 THR A 168 -12.951 -10.912 125.432 1.00 12.60 C ATOM 1419 HG1 THR A 168 -11.728 -8.821 126.373 1.00 0.00 H ATOM 1420 H THR A 168 -14.710 -11.775 127.681 1.00 0.00 H ATOM 1421 N GLU A 169 -13.492 -8.194 128.507 1.00 10.45 N ATOM 1422 CA GLU A 169 -14.260 -6.972 128.493 1.00 10.98 C ATOM 1423 C GLU A 169 -13.307 -5.820 128.363 1.00 10.62 C ATOM 1424 O GLU A 169 -12.219 -5.845 128.923 1.00 10.63 O ATOM 1425 CB GLU A 169 -15.088 -6.806 129.760 1.00 11.83 C ATOM 1426 CG GLU A 169 -16.295 -7.722 129.822 1.00 12.81 C ATOM 1427 CD GLU A 169 -17.372 -7.438 128.798 1.00 14.00 C ATOM 1428 OE1 GLU A 169 -17.584 -6.242 128.483 1.00 14.32 O ATOM 1429 OE2 GLU A 169 -17.994 -8.417 128.303 1.00 14.23 O ATOM 1430 H GLU A 169 -12.632 -8.250 129.089 1.00 0.00 H ATOM 1431 N ILE A 170 -13.720 -4.802 127.609 1.00 10.12 N ATOM 1432 CA ILE A 170 -12.896 -3.587 127.446 1.00 9.71 C ATOM 1433 C ILE A 170 -13.761 -2.370 127.758 1.00 9.96 C ATOM 1434 O ILE A 170 -14.965 -2.374 127.475 1.00 10.20 O ATOM 1435 CB ILE A 170 -12.297 -3.499 126.016 1.00 10.37 C ATOM 1436 CG1 ILE A 170 -11.375 -2.279 125.863 1.00 11.05 C ATOM 1437 CG2 ILE A 170 -13.380 -3.535 124.947 1.00 10.79 C ATOM 1438 CD1 ILE A 170 -10.511 -2.357 124.614 1.00 12.18 C ATOM 1439 H ILE A 170 -14.639 -4.864 127.126 1.00 0.00 H ATOM 1440 N ARG A 171 -13.154 -1.392 128.422 1.00 9.86 N ATOM 1441 CA ARG A 171 -13.807 -0.138 128.767 1.00 10.14 C ATOM 1442 C ARG A 171 -12.826 0.994 128.521 1.00 10.46 C ATOM 1443 O ARG A 171 -11.653 0.856 128.795 1.00 10.95 O ATOM 1444 CB ARG A 171 -14.209 -0.080 130.238 1.00 10.13 C ATOM 1445 CG ARG A 171 -15.252 -1.093 130.655 1.00 10.75 C ATOM 1446 CD ARG A 171 -16.588 -0.848 130.018 1.00 11.06 C ATOM 1447 NE ARG A 171 -17.551 -1.801 130.528 1.00 11.59 N ATOM 1448 CZ ARG A 171 -17.667 -3.074 130.150 1.00 12.39 C ATOM 1449 NH1 ARG A 171 -16.923 -3.600 129.203 1.00 12.21 N ATOM 1450 NH2 ARG A 171 -18.586 -3.839 130.739 1.00 14.05 N ATOM 1451 HE ARG A 171 -18.212 -1.462 131.255 1.00 0.00 H ATOM 1452 HH12 ARG A 171 -17.046 -4.598 128.939 1.00 0.00 H ATOM 1453 HH11 ARG A 171 -16.211 -3.018 128.718 1.00 0.00 H ATOM 1454 HH22 ARG A 171 -18.692 -4.835 130.458 1.00 0.00 H ATOM 1455 HH21 ARG A 171 -19.197 -3.440 131.480 1.00 0.00 H ATOM 1456 H ARG A 171 -12.164 -1.529 128.709 1.00 0.00 H ATOM 1457 N ASP A 172 -13.337 2.106 128.021 1.00 10.82 N ATOM 1458 CA ASP A 172 -12.534 3.320 127.890 1.00 10.79 C ATOM 1459 C ASP A 172 -12.783 4.227 129.080 1.00 10.82 C ATOM 1460 O ASP A 172 -13.873 4.230 129.673 1.00 11.24 O ATOM 1461 CB ASP A 172 -12.736 4.069 126.574 1.00 11.19 C ATOM 1462 CG ASP A 172 -14.164 4.479 126.284 1.00 12.34 C ATOM 1463 OD1 ASP A 172 -15.121 3.773 126.691 1.00 12.73 O ATOM 1464 OD2 ASP A 172 -14.356 5.491 125.536 1.00 12.24 O ATOM 1465 H ASP A 172 -14.331 2.117 127.715 1.00 0.00 H ATOM 1466 N VAL A 173 -11.766 5.018 129.422 1.00 10.85 N ATOM 1467 CA VAL A 173 -11.842 5.978 130.510 1.00 11.25 C ATOM 1468 C VAL A 173 -11.226 7.278 130.072 1.00 11.52 C ATOM 1469 O VAL A 173 -10.150 7.280 129.468 1.00 11.37 O ATOM 1470 CB VAL A 173 -11.011 5.544 131.697 1.00 11.40 C ATOM 1471 CG1 VAL A 173 -11.057 6.576 132.827 1.00 11.70 C ATOM 1472 CG2 VAL A 173 -11.518 4.224 132.182 1.00 11.11 C ATOM 1473 H VAL A 173 -10.878 4.945 128.886 1.00 0.00 H ATOM 1474 N GLY A 174 -11.881 8.378 130.396 1.00 12.06 N ATOM 1475 CA GLY A 174 -11.330 9.670 130.089 1.00 12.70 C ATOM 1476 C GLY A 174 -12.405 10.713 130.178 1.00 13.00 C ATOM 1477 O GLY A 174 -13.586 10.367 130.340 1.00 12.77 O ATOM 1478 H GLY A 174 -12.801 8.309 130.876 1.00 0.00 H ATOM 1479 N PRO A 175 -12.033 11.991 130.064 1.00 13.18 N ATOM 1480 CA PRO A 175 -10.654 12.453 129.811 1.00 13.52 C ATOM 1481 C PRO A 175 -9.840 12.578 131.105 1.00 14.41 C ATOM 1482 O PRO A 175 -10.336 13.101 132.111 1.00 14.30 O ATOM 1483 CB PRO A 175 -10.893 13.817 129.139 1.00 13.78 C ATOM 1484 CG PRO A 175 -12.161 14.321 129.771 1.00 13.86 C ATOM 1485 CD PRO A 175 -13.009 13.095 130.010 1.00 13.46 C ATOM 1486 N LEU A 176 -8.585 12.158 131.037 1.00 15.00 N ATOM 1487 CA LEU A 176 -7.656 12.138 132.166 1.00 16.20 C ATOM 1488 C LEU A 176 -6.785 13.389 132.126 1.00 17.53 C ATOM 1489 O LEU A 176 -6.462 13.894 131.048 1.00 17.89 O ATOM 1490 CB LEU A 176 -6.709 10.967 132.067 1.00 16.02 C ATOM 1491 CG LEU A 176 -7.387 9.624 132.066 1.00 15.58 C ATOM 1492 CD1 LEU A 176 -6.338 8.567 131.799 1.00 16.44 C ATOM 1493 CD2 LEU A 176 -8.087 9.426 133.364 1.00 15.44 C ATOM 1494 H LEU A 176 -8.237 11.819 130.117 1.00 0.00 H ATOM 1495 N SER A 177 -6.412 13.882 133.294 1.00 18.07 N ATOM 1496 CA SER A 177 -5.642 15.130 133.321 1.00 19.48 C ATOM 1497 C SER A 177 -4.614 15.266 134.443 1.00 20.48 C ATOM 1498 O SER A 177 -4.023 16.336 134.598 1.00 22.33 O ATOM 1499 CB SER A 177 -6.623 16.284 133.331 1.00 19.93 C ATOM 1500 OG SER A 177 -7.368 16.280 134.517 1.00 20.24 O ATOM 1501 HG SER A 177 -7.869 15.429 134.588 1.00 0.00 H ATOM 1502 H SER A 177 -6.660 13.394 134.178 1.00 0.00 H ATOM 1503 N LYS A 178 -4.339 14.213 135.184 1.00 20.53 N ATOM 1504 CA LYS A 178 -3.239 14.183 136.151 1.00 22.24 C ATOM 1505 C LYS A 178 -2.124 13.347 135.591 1.00 21.72 C ATOM 1506 O LYS A 178 -2.265 12.800 134.506 1.00 21.12 O ATOM 1507 CB LYS A 178 -3.725 13.659 137.478 1.00 23.61 C ATOM 1508 CG LYS A 178 -4.900 14.555 137.929 1.00 25.59 C ATOM 1509 CD LYS A 178 -4.913 14.823 139.397 1.00 27.75 C ATOM 1510 CE LYS A 178 -6.241 15.399 139.853 1.00 29.65 C ATOM 1511 NZ LYS A 178 -6.132 15.865 141.252 1.00 32.04 N ATOM 1512 HZ1 LYS A 178 -5.876 15.064 141.864 1.00 0.00 H ATOM 1513 HZ2 LYS A 178 -5.398 16.599 141.315 1.00 0.00 H ATOM 1514 HZ3 LYS A 178 -7.045 16.258 141.557 1.00 0.00 H ATOM 1515 H LYS A 178 -4.930 13.364 135.078 1.00 0.00 H ATOM 1516 N LYS A 179 -0.991 13.281 136.274 1.00 21.68 N ATOM 1517 CA LYS A 179 0.146 12.643 135.678 1.00 22.20 C ATOM 1518 C LYS A 179 -0.118 11.139 135.464 1.00 20.15 C ATOM 1519 O LYS A 179 0.356 10.528 134.495 1.00 19.90 O ATOM 1520 CB LYS A 179 1.373 12.880 136.541 1.00 24.77 C ATOM 1521 CG LYS A 179 2.653 12.285 135.980 1.00 27.40 C ATOM 1522 CD LYS A 179 3.845 12.536 136.887 1.00 30.62 C ATOM 1523 CE LYS A 179 5.118 12.140 136.178 1.00 32.84 C ATOM 1524 NZ LYS A 179 6.275 12.205 137.115 1.00 36.27 N ATOM 1525 HZ1 LYS A 179 6.374 13.176 137.474 1.00 0.00 H ATOM 1526 HZ2 LYS A 179 6.113 11.555 137.910 1.00 0.00 H ATOM 1527 HZ3 LYS A 179 7.143 11.930 136.612 1.00 0.00 H ATOM 1528 H LYS A 179 -0.927 13.686 137.230 1.00 0.00 H ATOM 1529 N GLY A 180 -0.885 10.548 136.364 1.00 18.35 N ATOM 1530 CA GLY A 180 -1.273 9.153 136.216 1.00 17.69 C ATOM 1531 C GLY A 180 -2.535 8.836 137.001 1.00 16.69 C ATOM 1532 O GLY A 180 -3.305 9.712 137.357 1.00 17.64 O ATOM 1533 H GLY A 180 -1.216 11.087 137.189 1.00 0.00 H ATOM 1534 N PHE A 181 -2.763 7.550 137.213 1.00 16.05 N ATOM 1535 CA PHE A 181 -3.966 7.070 137.845 1.00 15.35 C ATOM 1536 C PHE A 181 -3.754 5.681 138.434 1.00 14.88 C ATOM 1537 O PHE A 181 -2.797 4.976 138.081 1.00 14.20 O ATOM 1538 CB PHE A 181 -5.130 7.065 136.861 1.00 15.13 C ATOM 1539 CG PHE A 181 -4.892 6.214 135.625 1.00 14.61 C ATOM 1540 CD1 PHE A 181 -4.147 6.710 134.550 1.00 15.70 C ATOM 1541 CD2 PHE A 181 -5.378 4.937 135.561 1.00 14.91 C ATOM 1542 CE1 PHE A 181 -3.902 5.941 133.420 1.00 15.19 C ATOM 1543 CE2 PHE A 181 -5.122 4.134 134.424 1.00 14.59 C ATOM 1544 CZ PHE A 181 -4.389 4.661 133.358 1.00 15.16 C ATOM 1545 H PHE A 181 -2.046 6.859 136.912 1.00 0.00 H ATOM 1546 N TYR A 182 -4.670 5.320 139.317 1.00 14.82 N ATOM 1547 CA TYR A 182 -4.754 3.993 139.906 1.00 14.93 C ATOM 1548 C TYR A 182 -6.048 3.358 139.461 1.00 14.65 C ATOM 1549 O TYR A 182 -7.091 4.037 139.371 1.00 14.96 O ATOM 1550 CB TYR A 182 -4.769 4.084 141.432 1.00 15.78 C ATOM 1551 CG TYR A 182 -3.556 4.708 142.031 1.00 16.98 C ATOM 1552 CD1 TYR A 182 -3.431 6.094 142.102 1.00 18.27 C ATOM 1553 CD2 TYR A 182 -2.499 3.920 142.518 1.00 17.47 C ATOM 1554 CE1 TYR A 182 -2.287 6.675 142.641 1.00 19.70 C ATOM 1555 CE2 TYR A 182 -1.367 4.497 143.068 1.00 19.06 C ATOM 1556 CZ TYR A 182 -1.258 5.875 143.107 1.00 19.84 C ATOM 1557 OH TYR A 182 -0.115 6.447 143.649 1.00 22.87 O ATOM 1558 HH TYR A 182 -0.188 7.433 143.605 1.00 0.00 H ATOM 1559 H TYR A 182 -5.373 6.029 139.608 1.00 0.00 H ATOM 1560 N LEU A 183 -6.020 2.066 139.172 1.00 14.05 N ATOM 1561 CA LEU A 183 -7.244 1.335 138.894 1.00 14.32 C ATOM 1562 C LEU A 183 -7.586 0.489 140.114 1.00 13.55 C ATOM 1563 O LEU A 183 -6.683 0.022 140.803 1.00 14.13 O ATOM 1564 CB LEU A 183 -7.085 0.401 137.672 1.00 15.47 C ATOM 1565 CG LEU A 183 -6.906 1.092 136.326 1.00 18.32 C ATOM 1566 CD1 LEU A 183 -6.916 0.050 135.218 1.00 20.04 C ATOM 1567 CD2 LEU A 183 -7.984 2.131 136.076 1.00 19.35 C ATOM 1568 H LEU A 183 -5.108 1.567 139.144 1.00 0.00 H ATOM 1569 N ALA A 184 -8.880 0.299 140.365 1.00 12.54 N ATOM 1570 CA ALA A 184 -9.310 -0.551 141.464 1.00 12.78 C ATOM 1571 C ALA A 184 -10.446 -1.431 141.068 1.00 12.06 C ATOM 1572 O ALA A 184 -11.255 -1.100 140.197 1.00 11.93 O ATOM 1573 CB ALA A 184 -9.677 0.269 142.684 1.00 13.54 C ATOM 1574 H ALA A 184 -9.592 0.765 139.767 1.00 0.00 H ATOM 1575 N PHE A 185 -10.486 -2.588 141.723 1.00 11.79 N ATOM 1576 CA PHE A 185 -11.519 -3.593 141.542 1.00 11.86 C ATOM 1577 C PHE A 185 -12.156 -3.854 142.893 1.00 12.73 C ATOM 1578 O PHE A 185 -11.433 -4.046 143.893 1.00 13.12 O ATOM 1579 CB PHE A 185 -10.896 -4.894 141.032 1.00 12.25 C ATOM 1580 CG PHE A 185 -9.926 -4.685 139.887 1.00 12.49 C ATOM 1581 CD1 PHE A 185 -8.625 -4.352 140.148 1.00 14.36 C ATOM 1582 CD2 PHE A 185 -10.338 -4.788 138.590 1.00 14.66 C ATOM 1583 CE1 PHE A 185 -7.723 -4.143 139.142 1.00 15.59 C ATOM 1584 CE2 PHE A 185 -9.452 -4.533 137.562 1.00 14.75 C ATOM 1585 CZ PHE A 185 -8.153 -4.195 137.847 1.00 14.35 C ATOM 1586 H PHE A 185 -9.729 -2.786 142.409 1.00 0.00 H ATOM 1587 N GLN A 186 -13.482 -3.848 142.929 1.00 12.63 N ATOM 1588 CA GLN A 186 -14.222 -4.067 144.156 1.00 13.50 C ATOM 1589 C GLN A 186 -15.083 -5.300 143.989 1.00 13.67 C ATOM 1590 O GLN A 186 -15.841 -5.403 143.035 1.00 12.97 O ATOM 1591 CB GLN A 186 -15.082 -2.850 144.477 1.00 14.23 C ATOM 1592 CG GLN A 186 -15.949 -3.047 145.713 1.00 15.31 C ATOM 1593 CD GLN A 186 -17.104 -2.076 145.768 1.00 16.20 C ATOM 1594 OE1 GLN A 186 -17.591 -1.621 144.740 1.00 17.24 O ATOM 1595 NE2 GLN A 186 -17.568 -1.787 146.962 1.00 17.43 N ATOM 1596 HE22 GLN A 186 -17.122 -2.198 147.807 1.00 0.00 H ATOM 1597 HE21 GLN A 186 -18.382 -1.147 147.063 1.00 0.00 H ATOM 1598 H GLN A 186 -14.008 -3.681 142.048 1.00 0.00 H ATOM 1599 N ASP A 187 -14.932 -6.222 144.930 1.00 13.93 N ATOM 1600 CA ASP A 187 -15.765 -7.377 144.999 1.00 14.66 C ATOM 1601 C ASP A 187 -16.771 -7.163 146.112 1.00 16.45 C ATOM 1602 O ASP A 187 -16.387 -6.829 147.252 1.00 17.40 O ATOM 1603 CB ASP A 187 -14.935 -8.620 145.276 1.00 14.86 C ATOM 1604 CG ASP A 187 -15.769 -9.767 145.809 1.00 15.59 C ATOM 1605 OD1 ASP A 187 -16.633 -10.261 145.050 1.00 16.23 O ATOM 1606 OD2 ASP A 187 -15.576 -10.169 146.978 1.00 15.55 O ATOM 1607 H ASP A 187 -14.182 -6.099 145.640 1.00 0.00 H ATOM 1608 N VAL A 188 -18.032 -7.470 145.812 1.00 16.56 N ATOM 1609 CA VAL A 188 -19.077 -7.418 146.816 1.00 18.70 C ATOM 1610 C VAL A 188 -19.779 -8.754 147.038 1.00 19.03 C ATOM 1611 O VAL A 188 -20.872 -8.808 147.599 1.00 19.57 O ATOM 1612 CB VAL A 188 -20.098 -6.320 146.506 1.00 19.69 C ATOM 1613 CG1 VAL A 188 -19.424 -4.966 146.596 1.00 20.72 C ATOM 1614 CG2 VAL A 188 -20.687 -6.499 145.125 1.00 19.59 C ATOM 1615 H VAL A 188 -18.271 -7.752 144.840 1.00 0.00 H ATOM 1616 N GLY A 189 -19.103 -9.840 146.693 1.00 18.84 N ATOM 1617 CA GLY A 189 -19.558 -11.165 147.054 1.00 19.32 C ATOM 1618 C GLY A 189 -19.683 -12.131 145.892 1.00 18.58 C ATOM 1619 O GLY A 189 -20.612 -12.936 145.884 1.00 20.10 O ATOM 1620 H GLY A 189 -18.223 -9.737 146.149 1.00 0.00 H ATOM 1621 N ALA A 190 -18.728 -12.072 144.968 1.00 16.49 N ATOM 1622 CA ALA A 190 -18.699 -12.933 143.809 1.00 15.92 C ATOM 1623 C ALA A 190 -17.567 -13.939 143.961 1.00 15.41 C ATOM 1624 O ALA A 190 -16.809 -13.873 144.921 1.00 16.02 O ATOM 1625 CB ALA A 190 -18.505 -12.105 142.574 1.00 15.78 C ATOM 1626 H ALA A 190 -17.967 -11.373 145.086 1.00 0.00 H ATOM 1627 N CYS A 191 -17.479 -14.873 143.016 1.00 14.68 N ATOM 1628 CA CYS A 191 -16.411 -15.853 142.945 1.00 14.55 C ATOM 1629 C CYS A 191 -15.683 -15.572 141.644 1.00 13.40 C ATOM 1630 O CYS A 191 -16.100 -15.988 140.563 1.00 12.98 O ATOM 1631 CB CYS A 191 -16.983 -17.261 142.981 1.00 15.56 C ATOM 1632 SG CYS A 191 -15.716 -18.503 143.330 1.00 17.20 S ATOM 1633 H CYS A 191 -18.219 -14.902 142.286 1.00 0.00 H ATOM 1634 N ILE A 192 -14.632 -14.778 141.752 1.00 12.62 N ATOM 1635 CA ILE A 192 -14.057 -14.111 140.599 1.00 13.09 C ATOM 1636 C ILE A 192 -12.545 -14.368 140.519 1.00 12.06 C ATOM 1637 O ILE A 192 -11.854 -14.298 141.523 1.00 11.86 O ATOM 1638 CB ILE A 192 -14.383 -12.572 140.657 1.00 14.79 C ATOM 1639 CG1 ILE A 192 -13.633 -11.769 139.584 1.00 15.97 C ATOM 1640 CG2 ILE A 192 -14.064 -11.969 141.983 1.00 15.69 C ATOM 1641 CD1 ILE A 192 -14.224 -11.983 138.239 1.00 17.75 C ATOM 1642 H ILE A 192 -14.206 -14.627 142.689 1.00 0.00 H ATOM 1643 N ALA A 193 -12.037 -14.626 139.307 1.00 10.52 N ATOM 1644 CA ALA A 193 -10.613 -14.623 139.045 1.00 10.42 C ATOM 1645 C ALA A 193 -10.300 -13.613 137.923 1.00 10.30 C ATOM 1646 O ALA A 193 -10.829 -13.735 136.810 1.00 9.56 O ATOM 1647 CB ALA A 193 -10.143 -15.994 138.627 1.00 10.78 C ATOM 1648 H ALA A 193 -12.690 -14.836 138.525 1.00 0.00 H ATOM 1649 N LEU A 194 -9.478 -12.619 138.248 1.00 10.46 N ATOM 1650 CA LEU A 194 -8.969 -11.668 137.271 1.00 10.52 C ATOM 1651 C LEU A 194 -7.667 -12.252 136.756 1.00 10.63 C ATOM 1652 O LEU A 194 -6.689 -12.388 137.504 1.00 10.43 O ATOM 1653 CB LEU A 194 -8.677 -10.333 137.945 1.00 10.79 C ATOM 1654 CG LEU A 194 -9.831 -9.645 138.641 1.00 11.48 C ATOM 1655 CD1 LEU A 194 -9.286 -8.347 139.251 1.00 12.31 C ATOM 1656 CD2 LEU A 194 -10.984 -9.338 137.687 1.00 11.81 C ATOM 1657 H LEU A 194 -9.187 -12.517 139.241 1.00 0.00 H ATOM 1658 N VAL A 195 -7.665 -12.648 135.500 1.00 10.75 N ATOM 1659 CA VAL A 195 -6.553 -13.389 134.950 1.00 11.58 C ATOM 1660 C VAL A 195 -5.544 -12.466 134.268 1.00 11.42 C ATOM 1661 O VAL A 195 -4.351 -12.717 134.345 1.00 12.39 O ATOM 1662 CB VAL A 195 -7.085 -14.497 134.018 1.00 11.71 C ATOM 1663 CG1 VAL A 195 -5.934 -15.230 133.343 1.00 12.96 C ATOM 1664 CG2 VAL A 195 -7.941 -15.476 134.810 1.00 12.20 C ATOM 1665 H VAL A 195 -8.479 -12.423 134.893 1.00 0.00 H ATOM 1666 N SER A 196 -6.031 -11.411 133.594 1.00 10.87 N ATOM 1667 CA SER A 196 -5.185 -10.427 132.890 1.00 10.79 C ATOM 1668 C SER A 196 -5.826 -9.057 132.932 1.00 10.61 C ATOM 1669 O SER A 196 -7.033 -8.929 132.793 1.00 9.96 O ATOM 1670 CB SER A 196 -4.980 -10.836 131.410 1.00 10.63 C ATOM 1671 OG SER A 196 -4.390 -9.823 130.560 1.00 10.50 O ATOM 1672 HG SER A 196 -4.971 -9.022 130.551 1.00 0.00 H ATOM 1673 H SER A 196 -7.062 -11.280 133.567 1.00 0.00 H ATOM 1674 N VAL A 197 -5.001 -8.047 133.177 1.00 10.75 N ATOM 1675 CA VAL A 197 -5.432 -6.667 133.115 1.00 10.90 C ATOM 1676 C VAL A 197 -4.421 -5.943 132.262 1.00 11.30 C ATOM 1677 O VAL A 197 -3.209 -5.978 132.555 1.00 11.21 O ATOM 1678 CB VAL A 197 -5.464 -6.010 134.499 1.00 11.60 C ATOM 1679 CG1 VAL A 197 -5.895 -4.551 134.374 1.00 12.64 C ATOM 1680 CG2 VAL A 197 -6.431 -6.757 135.423 1.00 12.51 C ATOM 1681 H VAL A 197 -4.012 -8.254 133.422 1.00 0.00 H ATOM 1682 N ARG A 198 -4.901 -5.314 131.173 1.00 10.84 N ATOM 1683 CA ARG A 198 -4.046 -4.521 130.323 1.00 11.58 C ATOM 1684 C ARG A 198 -4.672 -3.132 130.142 1.00 11.20 C ATOM 1685 O ARG A 198 -5.875 -3.007 129.974 1.00 10.94 O ATOM 1686 CB ARG A 198 -3.888 -5.177 128.951 1.00 13.13 C ATOM 1687 CG ARG A 198 -3.041 -4.361 128.001 1.00 15.32 C ATOM 1688 CD ARG A 198 -2.633 -5.163 126.779 1.00 17.07 C ATOM 1689 NE ARG A 198 -1.926 -4.266 125.837 1.00 19.22 N ATOM 1690 CZ ARG A 198 -2.457 -3.702 124.760 1.00 18.97 C ATOM 1691 NH1 ARG A 198 -3.704 -3.941 124.406 1.00 19.36 N ATOM 1692 NH2 ARG A 198 -1.686 -2.936 123.999 1.00 21.30 N ATOM 1693 HE ARG A 198 -0.926 -4.060 126.037 1.00 0.00 H ATOM 1694 HH12 ARG A 198 -4.100 -3.488 123.558 1.00 0.00 H ATOM 1695 HH11 ARG A 198 -4.292 -4.583 124.975 1.00 0.00 H ATOM 1696 HH22 ARG A 198 -2.080 -2.483 123.150 1.00 0.00 H ATOM 1697 HH21 ARG A 198 -0.688 -2.788 124.252 1.00 0.00 H ATOM 1698 H ARG A 198 -5.911 -5.401 130.939 1.00 0.00 H ATOM 1699 N VAL A 199 -3.855 -2.104 130.239 1.00 10.96 N ATOM 1700 CA VAL A 199 -4.302 -0.751 130.042 1.00 11.47 C ATOM 1701 C VAL A 199 -3.420 -0.147 128.934 1.00 12.44 C ATOM 1702 O VAL A 199 -2.189 -0.319 128.952 1.00 12.33 O ATOM 1703 CB VAL A 199 -4.132 0.093 131.312 1.00 12.46 C ATOM 1704 CG1 VAL A 199 -4.711 1.479 131.078 1.00 13.21 C ATOM 1705 CG2 VAL A 199 -4.767 -0.600 132.492 1.00 12.87 C ATOM 1706 H VAL A 199 -2.855 -2.276 130.465 1.00 0.00 H ATOM 1707 N PHE A 200 -4.045 0.513 127.952 1.00 11.78 N ATOM 1708 CA PHE A 200 -3.303 1.081 126.829 1.00 12.33 C ATOM 1709 C PHE A 200 -3.945 2.344 126.334 1.00 12.29 C ATOM 1710 O PHE A 200 -5.093 2.627 126.665 1.00 11.44 O ATOM 1711 CB PHE A 200 -3.183 0.082 125.673 1.00 12.87 C ATOM 1712 CG PHE A 200 -4.487 -0.287 124.996 1.00 13.23 C ATOM 1713 CD1 PHE A 200 -5.277 -1.334 125.466 1.00 13.65 C ATOM 1714 CD2 PHE A 200 -4.874 0.355 123.865 1.00 13.70 C ATOM 1715 CE1 PHE A 200 -6.448 -1.677 124.808 1.00 13.74 C ATOM 1716 CE2 PHE A 200 -6.044 0.001 123.203 1.00 14.22 C ATOM 1717 CZ PHE A 200 -6.819 -1.033 123.665 1.00 13.54 C ATOM 1718 H PHE A 200 -5.078 0.624 127.989 1.00 0.00 H ATOM 1719 N TYR A 201 -3.190 3.100 125.546 1.00 12.80 N ATOM 1720 CA TYR A 201 -3.752 4.184 124.803 1.00 13.07 C ATOM 1721 C TYR A 201 -3.450 4.018 123.316 1.00 13.49 C ATOM 1722 O TYR A 201 -2.628 3.188 122.920 1.00 13.30 O ATOM 1723 CB TYR A 201 -3.324 5.533 125.345 1.00 13.76 C ATOM 1724 CG TYR A 201 -1.907 5.925 125.111 1.00 15.56 C ATOM 1725 CD1 TYR A 201 -0.928 5.623 126.040 1.00 16.53 C ATOM 1726 CD2 TYR A 201 -1.562 6.705 124.007 1.00 16.36 C ATOM 1727 CE1 TYR A 201 0.374 6.053 125.853 1.00 17.59 C ATOM 1728 CE2 TYR A 201 -0.256 7.108 123.787 1.00 17.60 C ATOM 1729 CZ TYR A 201 0.703 6.775 124.720 1.00 18.16 C ATOM 1730 OH TYR A 201 1.988 7.216 124.546 1.00 19.78 O ATOM 1731 HH TYR A 201 2.550 6.895 125.295 1.00 0.00 H ATOM 1732 H TYR A 201 -2.172 2.900 125.468 1.00 0.00 H ATOM 1733 N LYS A 202 -4.143 4.810 122.517 1.00 14.19 N ATOM 1734 CA LYS A 202 -4.003 4.763 121.060 1.00 16.00 C ATOM 1735 C LYS A 202 -3.198 5.951 120.610 1.00 18.57 C ATOM 1736 O LYS A 202 -3.458 7.099 120.982 1.00 18.69 O ATOM 1737 CB LYS A 202 -5.360 4.743 120.381 1.00 15.57 C ATOM 1738 CG LYS A 202 -6.116 3.469 120.676 1.00 15.81 C ATOM 1739 CD LYS A 202 -7.501 3.512 120.011 1.00 16.02 C ATOM 1740 CE LYS A 202 -8.236 2.247 120.328 1.00 15.37 C ATOM 1741 NZ LYS A 202 -9.563 2.213 119.656 1.00 15.86 N ATOM 1742 HZ1 LYS A 202 -10.135 3.019 119.979 1.00 0.00 H ATOM 1743 HZ2 LYS A 202 -9.430 2.271 118.626 1.00 0.00 H ATOM 1744 HZ3 LYS A 202 -10.048 1.325 119.895 1.00 0.00 H ATOM 1745 H LYS A 202 -4.810 5.489 122.937 1.00 0.00 H ATOM 1746 N LYS A 203 -2.174 5.682 119.821 1.00 21.66 N ATOM 1747 CA LYS A 203 -1.181 6.739 119.575 1.00 26.55 C ATOM 1748 C LYS A 203 -1.310 7.227 118.165 1.00 31.64 C ATOM 1749 O LYS A 203 -1.066 6.449 117.251 1.00 34.74 O ATOM 1750 CB LYS A 203 0.236 6.237 119.854 1.00 27.07 C ATOM 1751 CG LYS A 203 1.226 7.374 120.003 1.00 29.21 C ATOM 1752 CD LYS A 203 2.569 6.863 120.483 1.00 29.28 C ATOM 1753 CE LYS A 203 3.646 7.904 120.308 1.00 29.96 C ATOM 1754 NZ LYS A 203 4.924 7.420 120.886 1.00 29.42 N ATOM 1755 HZ1 LYS A 203 4.794 7.230 121.900 1.00 0.00 H ATOM 1756 HZ2 LYS A 203 5.213 6.546 120.402 1.00 0.00 H ATOM 1757 HZ3 LYS A 203 5.658 8.146 120.759 1.00 0.00 H ATOM 1758 H LYS A 203 -2.072 4.744 119.383 1.00 0.00 H ATOM 1759 N ALA A 204 -1.724 8.487 118.018 1.00 36.54 N ATOM 1760 CA ALA A 204 -1.811 9.193 116.733 1.00 42.77 C ATOM 1761 C ALA A 204 -0.437 9.398 116.100 1.00 45.05 C ATOM 1762 O ALA A 204 -0.039 8.622 115.231 1.00 51.23 O ATOM 1763 CB ALA A 204 -2.493 10.541 116.919 1.00 43.95 C ATOM 1764 H ALA A 204 -2.005 9.006 118.874 1.00 0.00 H TER 1765 ALA A 204 HETATM 1766 O HOH 1 -10.079 -3.100 154.070 1.00 36.83 O HETATM 1767 O HOH 2 11.415 -7.409 135.034 1.00 48.84 O HETATM 1768 O HOH 3 -2.416 2.162 150.681 1.00 39.71 O HETATM 1769 O HOH 4 5.463 -20.873 136.672 1.00 67.81 O HETATM 1770 O HOH 5 -26.299 -18.083 138.659 1.00 26.83 O HETATM 1771 O HOH 6 3.162 -4.390 140.593 1.00 29.61 O HETATM 1772 O HOH 7 8.472 -6.870 136.015 1.00 54.38 O HETATM 1773 O HOH 8 -17.259 -16.304 133.665 1.00 19.63 O HETATM 1774 O HOH 9 -21.784 -12.039 135.281 1.00 22.76 O HETATM 1775 O HOH 10 -2.577 -0.596 114.703 1.00 42.59 O HETATM 1776 O HOH 11 -2.355 -9.117 129.043 1.00 39.29 O HETATM 1777 O HOH 12 -11.381 11.198 142.560 1.00 24.35 O HETATM 1778 O HOH 13 -6.140 -8.261 129.563 1.00 14.52 O HETATM 1779 O HOH 14 -20.701 -5.517 141.192 1.00 23.16 O HETATM 1780 O HOH 15 -21.659 -14.933 135.610 1.00 39.06 O HETATM 1781 O HOH 16 3.119 0.695 119.794 1.00 31.44 O HETATM 1782 O HOH 17 0.597 -10.919 146.740 1.00 35.12 O HETATM 1783 O HOH 18 -1.779 -8.229 146.794 1.00 23.65 O HETATM 1784 O HOH 19 -0.034 8.405 150.487 1.00 45.72 O HETATM 1785 O HOH 20 -6.433 -3.297 115.089 1.00 30.77 O HETATM 1786 O HOH 21 -6.707 -18.098 150.404 1.00 37.41 O HETATM 1787 O HOH 22 2.925 -11.330 135.422 1.00 35.61 O HETATM 1788 O HOH 23 1.596 -17.637 129.018 1.00 33.70 O HETATM 1789 O HOH 24 3.688 7.708 150.233 1.00 28.03 O HETATM 1790 O HOH 25 5.305 -13.025 137.460 1.00 40.30 O HETATM 1791 O HOH 26 7.096 -7.794 140.713 1.00 30.26 O HETATM 1792 O HOH 27 -28.033 -17.267 152.184 1.00 45.66 O HETATM 1793 O HOH 28 -16.434 -23.979 136.196 1.00 45.50 O HETATM 1794 O HOH 29 -0.346 -31.625 129.801 1.00 15.70 O HETATM 1795 O HOH 30 -18.070 -8.647 143.344 1.00 23.30 O HETATM 1796 O HOH 31 3.921 2.639 139.500 1.00 26.18 O HETATM 1797 O HOH 32 4.993 -13.144 132.533 1.00 36.30 O HETATM 1798 O HOH 33 -4.755 10.945 135.211 1.00 20.59 O HETATM 1799 O HOH 34 -15.953 10.779 128.077 1.00 17.76 O HETATM 1800 O HOH 35 -2.399 -8.508 150.457 1.00 26.25 O HETATM 1801 O HOH 36 5.540 -18.629 128.511 1.00 30.14 O HETATM 1802 O HOH 37 0.820 -5.649 126.334 1.00 37.11 O HETATM 1803 O HOH 38 -15.122 9.276 134.309 1.00 33.37 O HETATM 1804 O HOH 39 -12.343 -3.187 152.639 1.00 25.20 O HETATM 1805 O HOH 40 -17.760 -11.047 128.562 1.00 14.55 O HETATM 1806 O HOH 41 7.908 -26.251 131.326 1.00 26.10 O HETATM 1807 O HOH 42 -1.991 -11.428 134.942 1.00 12.39 O HETATM 1808 O HOH 43 -9.337 -15.129 149.002 1.00 21.86 O HETATM 1809 O HOH 44 -0.694 -13.274 141.074 1.00 23.30 O HETATM 1810 O HOH 45 0.952 -15.173 142.172 1.00 24.78 O HETATM 1811 O HOH 46 5.224 -14.366 134.847 1.00 26.51 O HETATM 1812 O HOH 47 -20.181 -5.895 127.967 1.00 28.19 O HETATM 1813 O HOH 48 -12.214 6.474 124.267 1.00 11.25 O HETATM 1814 O HOH 49 -21.228 -6.261 125.634 1.00 37.80 O HETATM 1815 O HOH 50 -18.109 6.962 140.968 1.00 27.44 O HETATM 1816 O HOH 51 -0.676 -21.456 142.500 1.00 37.32 O HETATM 1817 O HOH 52 -2.994 -22.305 140.637 1.00 24.96 O HETATM 1818 O HOH 53 -5.996 6.946 123.511 1.00 13.25 O HETATM 1819 O HOH 54 -9.555 14.482 134.386 1.00 16.94 O HETATM 1820 O HOH 55 -6.921 -1.627 148.096 1.00 26.95 O HETATM 1821 O HOH 56 -16.488 1.503 153.627 1.00 25.39 O HETATM 1822 O HOH 57 -19.591 -15.278 141.174 1.00 19.79 O HETATM 1823 O HOH 58 -12.862 -10.353 153.084 1.00 21.53 O HETATM 1824 O HOH 59 -4.099 -10.320 124.747 1.00 43.92 O HETATM 1825 O HOH 60 -5.598 -7.952 126.958 1.00 26.96 O HETATM 1826 O HOH 61 -16.338 -12.829 147.371 1.00 14.77 O HETATM 1827 O HOH 62 2.478 0.502 134.732 1.00 24.89 O HETATM 1828 O HOH 63 -10.769 -2.774 120.399 1.00 33.75 O HETATM 1829 O HOH 64 -16.252 2.888 129.771 1.00 15.88 O HETATM 1830 O HOH 65 1.502 11.772 132.237 1.00 27.31 O HETATM 1831 O HOH 66 -21.293 -5.115 150.291 1.00 43.37 O HETATM 1832 O HOH 67 -6.332 -14.155 124.577 1.00 24.63 O HETATM 1833 O HOH 68 -9.457 12.974 146.026 1.00 42.25 O HETATM 1834 O HOH 69 2.826 -29.663 127.476 1.00 42.17 O HETATM 1835 O HOH 70 -1.975 -6.072 149.382 1.00 24.23 O HETATM 1836 O HOH 71 4.893 -27.886 131.082 1.00 22.48 O HETATM 1837 O HOH 72 -19.276 -0.890 127.345 1.00 32.54 O HETATM 1838 O HOH 73 4.313 -18.119 141.505 1.00 23.21 O HETATM 1839 O HOH 74 -8.340 7.403 121.897 1.00 15.53 O HETATM 1840 O HOH 75 -19.404 -8.728 125.952 1.00 21.09 O HETATM 1841 O HOH 76 -11.934 -15.790 148.927 1.00 18.00 O HETATM 1842 O HOH 77 -1.239 -25.017 134.888 1.00 15.33 O HETATM 1843 O HOH 78 -20.665 -16.143 124.062 1.00 26.05 O HETATM 1844 O HOH 79 -15.577 10.862 132.213 1.00 34.94 O HETATM 1845 O HOH 80 -0.375 -15.435 147.104 1.00 42.89 O HETATM 1846 O HOH 81 -20.069 -20.802 136.333 1.00 33.07 O HETATM 1847 O HOH 82 -3.539 -9.945 148.335 1.00 21.90 O HETATM 1848 O HOH 83 -8.123 13.086 141.606 1.00 36.46 O HETATM 1849 O HOH 84 -14.786 -7.289 152.789 1.00 17.84 O HETATM 1850 O HOH 85 -28.724 -19.938 147.429 1.00 35.03 O HETATM 1851 O HOH 86 -0.799 16.825 136.235 1.00 39.70 O HETATM 1852 O HOH 87 -17.703 4.312 131.913 1.00 26.54 O HETATM 1853 O HOH 88 3.060 -3.654 132.916 1.00 27.92 O HETATM 1854 O HOH 89 -24.539 -7.627 140.716 1.00 40.44 O HETATM 1855 O HOH 90 -28.445 -24.657 139.782 1.00 18.30 O HETATM 1856 O HOH 91 -16.437 6.783 134.699 1.00 41.74 O HETATM 1857 O HOH 92 -4.590 -2.320 152.443 1.00 27.05 O HETATM 1858 O HOH 93 -6.819 -10.131 150.933 1.00 15.19 O HETATM 1859 O HOH 94 3.906 11.145 125.989 1.00 38.97 O HETATM 1860 O HOH 95 -21.557 -9.904 150.128 1.00 27.24 O HETATM 1861 O HOH 96 -0.077 -19.026 143.807 1.00 21.63 O HETATM 1862 O HOH 97 -3.680 -17.508 147.033 1.00 35.25 O HETATM 1863 O HOH 98 -19.545 6.716 137.612 1.00 43.69 O HETATM 1864 O HOH 99 1.523 -13.110 134.783 1.00 24.04 O HETATM 1865 O HOH 100 -3.741 -18.790 123.193 1.00 23.41 O HETATM 1866 O HOH 101 -16.181 -5.365 126.143 1.00 14.77 O HETATM 1867 O HOH 102 1.691 0.419 137.195 1.00 21.72 O HETATM 1868 O HOH 103 -9.042 -7.500 149.470 1.00 14.20 O HETATM 1869 O HOH 104 -5.055 -23.787 120.845 1.00 38.85 O HETATM 1870 O HOH 105 -15.129 -7.291 124.758 1.00 29.36 O HETATM 1871 O HOH 106 1.121 -23.054 125.219 1.00 48.03 O HETATM 1872 O HOH 107 3.342 -0.867 124.000 1.00 21.52 O HETATM 1873 O HOH 108 -11.107 11.923 138.019 1.00 37.63 O HETATM 1874 O HOH 109 -1.853 -12.167 147.706 1.00 21.07 O HETATM 1875 O HOH 110 -19.508 -6.567 131.269 1.00 14.44 O HETATM 1876 O HOH 111 -5.030 -27.474 133.737 1.00 27.05 O HETATM 1877 O HOH 112 2.263 3.118 143.071 1.00 22.85 O HETATM 1878 O HOH 113 -25.708 -24.237 152.452 1.00 36.94 O HETATM 1879 O HOH 114 -9.903 10.960 140.133 1.00 20.97 O HETATM 1880 O HOH 115 -16.938 -18.312 151.166 1.00 31.54 O HETATM 1881 O HOH 116 1.814 -3.914 138.282 1.00 18.70 O HETATM 1882 O HOH 117 -21.355 -12.774 149.681 1.00 37.94 O HETATM 1883 O HOH 118 -12.102 -7.062 125.379 1.00 31.21 O HETATM 1884 O HOH 119 -2.777 14.473 142.783 1.00 31.53 O HETATM 1885 O HOH 120 -17.132 -2.727 125.473 1.00 37.43 O HETATM 1886 O HOH 121 10.775 -24.700 135.274 1.00 32.05 O HETATM 1887 O HOH 122 -20.430 6.919 130.515 1.00 48.66 O HETATM 1888 O HOH 123 -17.172 -20.763 135.103 1.00 40.31 O HETATM 1889 O HOH 124 -8.211 -16.006 151.428 1.00 35.40 O HETATM 1890 O HOH 125 -24.377 -15.515 150.514 1.00 35.89 O HETATM 1891 O HOH 126 3.414 3.571 135.181 1.00 31.24 O HETATM 1892 O HOH 127 -6.547 -8.240 156.543 1.00 26.64 O HETATM 1893 O HOH 128 0.237 -1.701 138.732 1.00 24.98 O HETATM 1894 O HOH 129 -0.793 15.657 133.760 1.00 26.11 O HETATM 1895 O HOH 130 -25.212 -10.683 140.271 1.00 25.17 O HETATM 1896 O HOH 131 1.872 -21.797 127.710 1.00 20.62 O HETATM 1897 O HOH 132 -19.964 0.087 147.383 1.00 44.49 O HETATM 1898 O HOH 133 -3.196 16.012 128.143 1.00 30.66 O HETATM 1899 O HOH 134 -6.577 -5.018 156.126 1.00 23.43 O HETATM 1900 O HOH 135 5.169 -23.963 125.034 1.00 45.82 O HETATM 1901 O HOH 136 -17.677 8.598 152.561 1.00 38.00 O HETATM 1902 O HOH 137 -22.425 -3.597 142.945 1.00 32.35 O HETATM 1903 O HOH 138 -5.607 18.830 129.065 1.00 29.54 O HETATM 1904 O HOH 139 -30.429 -21.476 138.814 1.00 27.62 O HETATM 1905 O HOH 140 -27.820 -18.125 141.113 1.00 72.94 O HETATM 1906 O HOH 141 -5.824 10.178 124.059 1.00 13.02 O HETATM 1907 O HOH 142 -8.506 -16.414 146.756 1.00 31.41 O HETATM 1908 O HOH 143 -3.666 -13.914 129.099 1.00 22.51 O HETATM 1909 O HOH 144 -21.302 3.529 133.899 1.00 45.60 O HETATM 1910 O HOH 145 -13.944 -5.239 154.171 1.00 23.96 O HETATM 1911 O HOH 146 -6.152 -18.019 147.533 1.00 32.77 O HETATM 1912 O HOH 147 -5.619 0.229 117.965 1.00 30.67 O HETATM 1913 O HOH 148 -19.646 1.318 129.794 1.00 30.98 O HETATM 1914 O HOH 149 3.082 3.396 118.957 1.00 34.99 O HETATM 1915 O HOH 150 4.318 -3.585 129.354 1.00 45.22 O HETATM 1916 O HOH 151 -19.872 -16.864 134.038 1.00 34.91 O HETATM 1917 O HOH 152 -13.719 12.472 137.261 1.00 47.19 O HETATM 1918 O HOH 153 -23.510 -4.952 125.476 1.00 45.74 O HETATM 1919 O HOH 154 -29.146 -22.384 141.581 1.00 78.41 O HETATM 1920 O HOH 155 -2.965 -8.732 126.570 1.00 35.37 O HETATM 1921 O HOH 156 -16.491 6.020 151.710 1.00 39.01 O HETATM 1922 O HOH 157 4.256 11.943 132.316 1.00 36.85 O HETATM 1923 O HOH 158 5.925 -5.041 140.227 1.00 34.33 O HETATM 1924 O HOH 159 1.099 14.721 132.959 1.00 47.17 O HETATM 1925 O HOH 160 -11.275 16.128 135.349 1.00 32.45 O HETATM 1926 O HOH 161 -29.030 -20.307 142.438 1.00 27.20 O HETATM 1927 O HOH 162 -0.187 -9.873 150.600 1.00 38.14 O HETATM 1928 O HOH 163 6.541 -18.898 140.134 1.00 21.50 O HETATM 1929 O HOH 164 0.339 -5.279 150.382 1.00 35.45 O HETATM 1930 O HOH 165 7.861 -14.819 135.475 1.00 35.01 O HETATM 1931 O HOH 166 -15.860 -4.250 155.665 1.00 28.55 O HETATM 1932 O HOH 167 -0.010 -3.211 151.798 1.00 42.05 O HETATM 1933 O HOH 168 -11.477 -21.659 131.703 1.00 23.98 O HETATM 1934 O HOH 169 -7.668 -26.859 136.757 1.00 16.76 O HETATM 1935 O HOH 170 -3.960 -25.166 134.334 1.00 12.34 O HETATM 1936 O HOH 171 -10.294 -17.871 144.567 1.00 21.57 O HETATM 1937 O HOH 172 -3.038 -24.117 138.672 1.00 17.57 O HETATM 1938 O HOH 173 -11.508 -28.822 138.800 1.00 40.88 O HETATM 1939 O HOH 174 -14.049 -24.206 135.187 1.00 22.02 O HETATM 1940 O HOH 175 -11.538 -29.915 135.661 1.00 47.48 O HETATM 1941 O HOH 176 -10.934 -25.191 146.605 1.00 40.04 O HETATM 1942 O HOH 177 -8.583 -28.016 139.068 1.00 32.42 O HETATM 1943 N BAL A 178 -13.287 -17.037 153.512 1.00 0.22 N HETATM 1944 CB BAL A 178 -14.161 -17.856 152.689 1.00 -0.02 C HETATM 1945 CA BAL A 178 -13.510 -18.716 151.573 1.00 0.08 C HETATM 1946 C BAL A 178 -11.998 -18.753 151.515 1.00 0.19 C HETATM 1947 O BAL A 178 -11.346 -18.667 152.552 1.00 -0.40 O HETATM 1948 N BAL A 178 -11.379 -18.915 150.331 1.00 -0.25 N HETATM 1949 CA BAL A 178 -12.124 -19.023 149.098 1.00 0.13 C HETATM 1950 C BAL A 178 -12.838 -20.364 148.990 1.00 0.20 C HETATM 1951 O BAL A 178 -12.241 -21.415 149.214 1.00 -0.39 O HETATM 1952 N BAL A 178 -14.110 -20.308 148.657 1.00 -0.26 N HETATM 1953 CA BAL A 178 -14.871 -21.489 148.407 1.00 0.14 C HETATM 1954 C BAL A 178 -14.319 -22.262 147.209 1.00 0.21 C HETATM 1955 O BAL A 178 -14.208 -23.485 147.259 1.00 -0.39 O HETATM 1956 N BAL A 178 -13.964 -21.542 146.146 1.00 -0.26 N HETATM 1957 CA BAL A 178 -13.361 -22.134 144.950 1.00 0.14 C HETATM 1958 C BAL A 178 -12.131 -21.344 144.564 1.00 0.20 C HETATM 1959 O BAL A 178 -12.035 -20.177 144.881 1.00 -0.39 O HETATM 1960 N BAL A 178 -11.235 -21.991 143.832 1.00 -0.26 N HETATM 1961 CA BAL A 178 -10.056 -21.357 143.271 1.00 0.13 C HETATM 1962 C BAL A 178 -9.943 -21.751 141.800 1.00 0.20 C HETATM 1963 O BAL A 178 -10.240 -22.889 141.420 1.00 -0.39 O HETATM 1964 N BAL A 178 -9.567 -20.789 140.971 1.00 -0.26 N HETATM 1965 CA BAL A 178 -9.447 -21.007 139.533 1.00 0.14 C HETATM 1966 C BAL A 178 -8.031 -21.349 139.205 1.00 0.21 C HETATM 1967 O BAL A 178 -7.118 -20.587 139.491 1.00 -0.39 O HETATM 1968 N BAL A 178 -7.848 -22.542 138.613 1.00 -0.26 N HETATM 1969 CA BAL A 178 -6.548 -23.106 138.379 1.00 0.13 C HETATM 1970 C BAL A 178 -6.205 -23.305 136.915 1.00 0.20 C HETATM 1971 O BAL A 178 -5.199 -23.954 136.606 1.00 -0.39 O HETATM 1972 N BAL A 178 -7.039 -22.809 136.043 1.00 -0.28 N HETATM 1973 CB BAL A 178 -6.859 -22.924 134.602 1.00 0.05 C HETATM 1974 CA BAL A 178 -7.391 -24.255 134.126 1.00 0.06 C HETATM 1975 C BAL A 178 -8.878 -24.325 134.344 1.00 0.18 C HETATM 1976 O BAL A 178 -9.616 -23.829 133.552 1.00 -0.40 O HETATM 1977 N BAL A 178 -9.295 -24.898 135.472 1.00 -0.26 N HETATM 1978 CA BAL A 178 -10.700 -24.993 135.851 1.00 0.15 C HETATM 1979 C BAL A 178 -10.873 -24.468 137.226 1.00 0.21 C HETATM 1980 O BAL A 178 -9.939 -24.450 138.020 1.00 -0.39 O HETATM 1981 N BAL A 178 -12.111 -24.097 137.537 1.00 -0.26 N HETATM 1982 CA BAL A 178 -12.491 -23.823 138.899 1.00 0.14 C HETATM 1983 C BAL A 178 -12.493 -25.141 139.694 1.00 0.21 C HETATM 1984 O BAL A 178 -12.909 -26.164 139.184 1.00 -0.39 O HETATM 1985 N BAL A 178 -12.021 -25.113 140.925 1.00 -0.26 N HETATM 1986 CA BAL A 178 -12.306 -26.214 141.843 1.00 0.15 C HETATM 1987 C BAL A 178 -12.746 -25.662 143.187 1.00 0.21 C HETATM 1988 O BAL A 178 -12.157 -24.691 143.721 1.00 -0.39 O HETATM 1989 N BAL A 178 -13.822 -26.275 143.695 1.00 -0.26 N HETATM 1990 CA BAL A 178 -14.573 -25.778 144.835 1.00 0.14 C HETATM 1991 C BAL A 178 -14.579 -26.744 146.001 1.00 0.20 C HETATM 1992 O BAL A 178 -14.773 -27.925 145.792 1.00 -0.39 O HETATM 1993 N BAL A 178 -14.377 -26.274 147.238 1.00 -0.30 N HETATM 1994 H88 BAL A 178 -14.378 -26.901 148.017 1.00 0.18 H HETATM 1995 H89 BAL A 178 -14.225 -25.296 147.383 1.00 0.18 H HETATM 1996 CB BAL A 178 -16.003 -25.541 144.412 1.00 0.04 C HETATM 1997 SG BAL A 178 -16.126 -24.354 143.053 1.00 -0.09 S HETATM 1998 SG BAL A 178 -15.956 -22.533 143.988 1.00 -0.09 S HETATM 1999 CB BAL A 178 -14.261 -22.064 143.730 1.00 0.04 C HETATM 2000 H26 BAL A 178 -13.840 -22.730 142.962 1.00 0.04 H HETATM 2001 H27 BAL A 178 -14.250 -21.027 143.362 1.00 0.04 H HETATM 2002 H86 BAL A 178 -16.567 -25.153 145.273 1.00 0.04 H HETATM 2003 H87 BAL A 178 -16.440 -26.497 144.088 1.00 0.04 H HETATM 2004 H85 BAL A 178 -14.124 -24.829 145.164 1.00 0.08 H HETATM 2005 H84 BAL A 178 -14.127 -27.125 143.265 1.00 0.19 H HETATM 2006 CB BAL A 178 -11.148 -27.198 141.955 1.00 0.08 C HETATM 2007 OG BAL A 178 -10.020 -26.575 142.482 1.00 -0.39 O HETATM 2008 H83 BAL A 178 -10.221 -26.238 143.347 1.00 0.21 H HETATM 2009 H81 BAL A 178 -10.910 -27.590 140.955 1.00 0.06 H HETATM 2010 H82 BAL A 178 -11.443 -28.028 142.614 1.00 0.06 H HETATM 2011 H80 BAL A 178 -13.156 -26.774 141.427 1.00 0.08 H HETATM 2012 H79 BAL A 178 -11.468 -24.338 141.231 1.00 0.19 H HETATM 2013 CB BAL A 178 -13.881 -23.238 138.905 1.00 0.00 C HETATM 2014 CG BAL A 178 -13.893 -21.803 138.515 1.00 -0.04 C HETATM 2015 CD1 BAL A 178 -14.259 -21.287 137.322 1.00 0.02 C HETATM 2016 NE1 BAL A 178 -14.165 -19.910 137.359 1.00 -0.29 N HETATM 2017 CE2 BAL A 178 -13.707 -19.549 138.590 1.00 0.06 C HETATM 2018 CD2 BAL A 178 -13.517 -20.726 139.333 1.00 -0.02 C HETATM 2019 CE3 BAL A 178 -13.048 -20.624 140.649 1.00 -0.07 C HETATM 2020 CZ3 BAL A 178 -12.803 -19.357 141.165 1.00 -0.08 C HETATM 2021 CH2 BAL A 178 -13.006 -18.215 140.389 1.00 -0.08 C HETATM 2022 CZ2 BAL A 178 -13.433 -18.294 139.106 1.00 -0.04 C HETATM 2023 H76 BAL A 178 -13.556 -17.402 138.502 1.00 0.05 H HETATM 2024 H78 BAL A 178 -12.817 -17.240 140.824 1.00 0.05 H HETATM 2025 H77 BAL A 178 -12.449 -19.254 142.185 1.00 0.05 H HETATM 2026 H75 BAL A 178 -12.880 -21.511 141.250 1.00 0.05 H HETATM 2027 H74 BAL A 178 -14.400 -19.267 136.589 1.00 0.22 H HETATM 2028 H73 BAL A 178 -14.580 -21.870 136.460 1.00 0.08 H HETATM 2029 H71 BAL A 178 -14.300 -23.332 139.918 1.00 0.04 H HETATM 2030 H72 BAL A 178 -14.505 -23.802 138.196 1.00 0.04 H HETATM 2031 H70 BAL A 178 -11.783 -23.113 139.352 1.00 0.08 H HETATM 2032 H69 BAL A 178 -12.792 -24.006 136.811 1.00 0.19 H HETATM 2033 CB BAL A 178 -11.158 -26.450 135.858 1.00 0.08 C HETATM 2034 OG BAL A 178 -11.003 -27.030 134.594 1.00 -0.39 O HETATM 2035 H68 BAL A 178 -11.294 -27.934 134.624 1.00 0.21 H HETATM 2036 H66 BAL A 178 -12.219 -26.492 136.146 1.00 0.06 H HETATM 2037 H67 BAL A 178 -10.557 -27.012 136.588 1.00 0.06 H HETATM 2038 H65 BAL A 178 -11.311 -24.412 135.144 1.00 0.08 H HETATM 2039 H64 BAL A 178 -8.610 -25.283 136.090 1.00 0.19 H HETATM 2040 H62 BAL A 178 -6.902 -25.064 134.688 1.00 0.05 H HETATM 2041 H63 BAL A 178 -7.175 -24.371 133.054 1.00 0.05 H HETATM 2042 H60 BAL A 178 -5.788 -22.851 134.361 1.00 0.05 H HETATM 2043 H61 BAL A 178 -7.404 -22.112 134.100 1.00 0.05 H HETATM 2044 H59 BAL A 178 -7.845 -22.324 136.382 1.00 0.19 H HETATM 2045 CB BAL A 178 -6.489 -24.475 139.067 1.00 -0.01 C HETATM 2046 CG BAL A 178 -6.849 -24.446 140.525 1.00 -0.02 C HETATM 2047 CD BAL A 178 -5.732 -23.852 141.314 1.00 0.06 C HETATM 2048 NE BAL A 178 -5.863 -24.118 142.753 1.00 -0.27 N HETATM 2049 CZ BAL A 178 -5.064 -23.606 143.684 1.00 0.29 C HETATM 2050 NH1 BAL A 178 -4.030 -22.815 143.353 1.00 -0.28 N HETATM 2051 H55 BAL A 178 -3.422 -22.428 144.089 1.00 0.26 H HETATM 2052 H56 BAL A 178 -3.845 -22.596 142.364 1.00 0.26 H HETATM 2053 NH2 BAL A 178 -5.296 -23.890 144.971 1.00 -0.28 N HETATM 2054 H57 BAL A 178 -6.088 -24.496 145.230 1.00 0.26 H HETATM 2055 H58 BAL A 178 -4.683 -23.503 145.702 1.00 0.26 H HETATM 2056 H54 BAL A 178 -6.623 -24.741 143.060 1.00 0.26 H HETATM 2057 H52 BAL A 178 -5.726 -22.764 141.155 1.00 0.07 H HETATM 2058 H53 BAL A 178 -4.782 -24.280 140.960 1.00 0.07 H HETATM 2059 H50 BAL A 178 -7.037 -25.472 140.875 1.00 0.03 H HETATM 2060 H51 BAL A 178 -7.756 -23.840 140.664 1.00 0.03 H HETATM 2061 H48 BAL A 178 -5.465 -24.865 138.972 1.00 0.03 H HETATM 2062 H49 BAL A 178 -7.188 -25.151 138.552 1.00 0.03 H HETATM 2063 H47 BAL A 178 -5.796 -22.437 138.823 1.00 0.08 H HETATM 2064 H46 BAL A 178 -8.653 -23.060 138.323 1.00 0.19 H HETATM 2065 CB BAL A 178 -9.856 -19.736 138.739 1.00 0.02 C HETATM 2066 CG BAL A 178 -9.759 -19.952 137.242 1.00 -0.05 C HETATM 2067 CD1 BAL A 178 -10.624 -20.811 136.583 1.00 -0.07 C HETATM 2068 CE1 BAL A 178 -10.533 -21.029 135.220 1.00 -0.04 C HETATM 2069 CZ BAL A 178 -9.547 -20.390 134.486 1.00 0.08 C HETATM 2070 CE2 BAL A 178 -8.673 -19.533 135.122 1.00 -0.04 C HETATM 2071 CD2 BAL A 178 -8.772 -19.335 136.501 1.00 -0.07 C HETATM 2072 H42 BAL A 178 -8.061 -18.685 136.998 1.00 0.05 H HETATM 2073 H44 BAL A 178 -7.911 -19.014 134.552 1.00 0.05 H HETATM 2074 OH BAL A 178 -9.468 -20.629 133.132 1.00 -0.34 O HETATM 2075 H45 BAL A 178 -10.149 -21.242 132.880 1.00 0.25 H HETATM 2076 H43 BAL A 178 -11.230 -21.697 134.728 1.00 0.05 H HETATM 2077 H41 BAL A 178 -11.392 -21.325 137.150 1.00 0.05 H HETATM 2078 H39 BAL A 178 -9.189 -18.909 139.023 1.00 0.05 H HETATM 2079 H40 BAL A 178 -10.894 -19.475 138.994 1.00 0.05 H HETATM 2080 H38 BAL A 178 -10.103 -21.840 139.240 1.00 0.08 H HETATM 2081 H37 BAL A 178 -9.359 -19.884 141.342 1.00 0.19 H HETATM 2082 CB BAL A 178 -8.765 -21.765 144.020 1.00 -0.01 C HETATM 2083 CG1 BAL A 178 -7.566 -21.025 143.457 1.00 -0.06 C HETATM 2084 H31 BAL A 178 -6.659 -21.328 144.001 1.00 0.02 H HETATM 2085 H32 BAL A 178 -7.717 -19.941 143.571 1.00 0.02 H HETATM 2086 H33 BAL A 178 -7.452 -21.269 142.391 1.00 0.02 H HETATM 2087 CG2 BAL A 178 -8.878 -21.444 145.496 1.00 -0.06 C HETATM 2088 H34 BAL A 178 -9.744 -21.973 145.921 1.00 0.02 H HETATM 2089 H35 BAL A 178 -9.011 -20.360 145.626 1.00 0.02 H HETATM 2090 H36 BAL A 178 -7.962 -21.766 146.012 1.00 0.02 H HETATM 2091 H30 BAL A 178 -8.612 -22.847 143.897 1.00 0.03 H HETATM 2092 H29 BAL A 178 -10.173 -20.266 143.345 1.00 0.08 H HETATM 2093 H28 BAL A 178 -11.379 -22.965 143.657 1.00 0.19 H HETATM 2094 H25 BAL A 178 -13.099 -23.181 145.162 1.00 0.08 H HETATM 2095 H24 BAL A 178 -14.116 -20.554 146.166 1.00 0.19 H HETATM 2096 CB BAL A 178 -16.334 -21.100 148.223 1.00 0.02 C HETATM 2097 CG BAL A 178 -17.240 -22.277 148.102 1.00 -0.05 C HETATM 2098 CD1 BAL A 178 -17.269 -23.285 149.066 1.00 -0.07 C HETATM 2099 CE1 BAL A 178 -18.122 -24.374 148.917 1.00 -0.04 C HETATM 2100 CZ BAL A 178 -18.958 -24.441 147.814 1.00 0.08 C HETATM 2101 CE2 BAL A 178 -18.938 -23.448 146.886 1.00 -0.04 C HETATM 2102 CD2 BAL A 178 -18.083 -22.379 147.040 1.00 -0.07 C HETATM 2103 H20 BAL A 178 -18.082 -21.595 146.292 1.00 0.05 H HETATM 2104 H22 BAL A 178 -19.595 -23.497 146.025 1.00 0.05 H HETATM 2105 OH BAL A 178 -19.847 -25.479 147.639 1.00 -0.34 O HETATM 2106 H23 BAL A 178 -20.733 -25.137 147.627 1.00 0.25 H HETATM 2107 H21 BAL A 178 -18.133 -25.165 149.659 1.00 0.05 H HETATM 2108 H19 BAL A 178 -16.624 -23.220 149.935 1.00 0.05 H HETATM 2109 H17 BAL A 178 -16.423 -20.494 147.309 1.00 0.05 H HETATM 2110 H18 BAL A 178 -16.650 -20.503 149.091 1.00 0.05 H HETATM 2111 H16 BAL A 178 -14.798 -22.142 149.289 1.00 0.08 H HETATM 2112 H15 BAL A 178 -14.554 -19.416 148.577 1.00 0.19 H HETATM 2113 CB BAL A 178 -11.082 -18.905 147.981 1.00 -0.01 C HETATM 2114 CG BAL A 178 -9.812 -19.363 148.599 1.00 -0.03 C HETATM 2115 CD BAL A 178 -9.946 -19.046 150.065 1.00 0.04 C HETATM 2116 H13 BAL A 178 -9.520 -19.859 150.670 1.00 0.05 H HETATM 2117 H14 BAL A 178 -9.428 -18.104 150.299 1.00 0.05 H HETATM 2118 H11 BAL A 178 -8.956 -18.825 148.165 1.00 0.03 H HETATM 2119 H12 BAL A 178 -9.679 -20.445 148.449 1.00 0.03 H HETATM 2120 H9 BAL A 178 -10.994 -17.863 147.641 1.00 0.03 H HETATM 2121 H10 BAL A 178 -11.352 -19.547 147.129 1.00 0.03 H HETATM 2122 H8 BAL A 178 -12.861 -18.210 149.027 1.00 0.08 H HETATM 2123 H6 BAL A 178 -13.868 -18.329 150.607 1.00 0.06 H HETATM 2124 H7 BAL A 178 -13.860 -19.750 151.707 1.00 0.06 H HETATM 2125 H4 BAL A 178 -14.882 -17.181 152.204 1.00 0.08 H HETATM 2126 H5 BAL A 178 -14.696 -18.542 153.362 1.00 0.08 H HETATM 2127 H1 BAL A 178 -13.838 -16.535 154.191 1.00 0.20 H HETATM 2128 H2 BAL A 178 -12.794 -16.380 152.928 1.00 0.20 H HETATM 2129 H3 BAL A 178 -12.623 -17.628 153.988 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 445 444 1632 CONECT 819 818 897 CONECT 897 819 896 CONECT 1632 445 1631 CONECT 1943 1944 2127 2128 2129 CONECT 1944 1943 1945 2125 2126 CONECT 1945 1944 1946 2123 2124 CONECT 1946 1945 1947 1948 CONECT 1947 1946 CONECT 1948 1946 1949 2115 CONECT 1949 1948 1950 2113 2122 CONECT 1950 1949 1951 1952 CONECT 1951 1950 CONECT 1952 1950 1953 2112 CONECT 1953 1952 1954 2096 2111 CONECT 1954 1953 1955 1956 CONECT 1955 1954 CONECT 1956 1954 1957 2095 CONECT 1957 1956 1958 1999 2094 CONECT 1958 1957 1959 1960 CONECT 1959 1958 CONECT 1960 1958 1961 2093 CONECT 1961 1960 1962 2082 2092 CONECT 1962 1961 1963 1964 CONECT 1963 1962 CONECT 1964 1962 1965 2081 CONECT 1965 1964 1966 2065 2080 CONECT 1966 1965 1967 1968 CONECT 1967 1966 CONECT 1968 1966 1969 2064 CONECT 1969 1968 1970 2045 2063 CONECT 1970 1969 1971 1972 CONECT 1971 1970 CONECT 1972 1970 1973 2044 CONECT 1973 1972 1974 2042 2043 CONECT 1974 1973 1975 2040 2041 CONECT 1975 1974 1976 1977 CONECT 1976 1975 CONECT 1977 1975 1978 2039 CONECT 1978 1977 1979 2033 2038 CONECT 1979 1978 1980 1981 CONECT 1980 1979 CONECT 1981 1979 1982 2032 CONECT 1982 1981 1983 2013 2031 CONECT 1983 1982 1984 1985 CONECT 1984 1983 CONECT 1985 1983 1986 2012 CONECT 1986 1985 1987 2006 2011 CONECT 1987 1986 1988 1989 CONECT 1988 1987 CONECT 1989 1987 1990 2005 CONECT 1990 1989 1991 1996 2004 CONECT 1991 1990 1992 1993 CONECT 1992 1991 CONECT 1993 1991 1994 1995 CONECT 1994 1993 CONECT 1995 1993 CONECT 1996 1990 1997 2002 2003 CONECT 1997 1996 1998 CONECT 1998 1997 1999 CONECT 1999 1957 1998 2000 2001 CONECT 2000 1999 CONECT 2001 1999 CONECT 2002 1996 CONECT 2003 1996 CONECT 2004 1990 CONECT 2005 1989 CONECT 2006 1986 2007 2009 2010 CONECT 2007 2006 2008 CONECT 2008 2007 CONECT 2009 2006 CONECT 2010 2006 CONECT 2011 1986 CONECT 2012 1985 CONECT 2013 1982 2014 2029 2030 CONECT 2014 2013 2015 2018 CONECT 2015 2014 2016 2028 CONECT 2016 2015 2017 2027 CONECT 2017 2016 2018 2022 CONECT 2018 2014 2017 2019 CONECT 2019 2018 2020 2026 CONECT 2020 2019 2021 2025 CONECT 2021 2020 2022 2024 CONECT 2022 2017 2021 2023 CONECT 2023 2022 CONECT 2024 2021 CONECT 2025 2020 CONECT 2026 2019 CONECT 2027 2016 CONECT 2028 2015 CONECT 2029 2013 CONECT 2030 2013 CONECT 2031 1982 CONECT 2032 1981 CONECT 2033 1978 2034 2036 2037 CONECT 2034 2033 2035 CONECT 2035 2034 CONECT 2036 2033 CONECT 2037 2033 CONECT 2038 1978 CONECT 2039 1977 CONECT 2040 1974 CONECT 2041 1974 CONECT 2042 1973 CONECT 2043 1973 CONECT 2044 1972 CONECT 2045 1969 2046 2061 2062 CONECT 2046 2045 2047 2059 2060 CONECT 2047 2046 2048 2057 2058 CONECT 2048 2047 2049 2056 CONECT 2049 2048 2050 2053 CONECT 2050 2049 2051 2052 CONECT 2051 2050 CONECT 2052 2050 CONECT 2053 2049 2054 2055 CONECT 2054 2053 CONECT 2055 2053 CONECT 2056 2048 CONECT 2057 2047 CONECT 2058 2047 CONECT 2059 2046 CONECT 2060 2046 CONECT 2061 2045 CONECT 2062 2045 CONECT 2063 1969 CONECT 2064 1968 CONECT 2065 1965 2066 2078 2079 CONECT 2066 2065 2067 2071 CONECT 2067 2066 2068 2077 CONECT 2068 2067 2069 2076 CONECT 2069 2068 2070 2074 CONECT 2070 2069 2071 2073 CONECT 2071 2066 2070 2072 CONECT 2072 2071 CONECT 2073 2070 CONECT 2074 2069 2075 CONECT 2075 2074 CONECT 2076 2068 CONECT 2077 2067 CONECT 2078 2065 CONECT 2079 2065 CONECT 2080 1965 CONECT 2081 1964 CONECT 2082 1961 2083 2087 2091 CONECT 2083 2082 2084 2085 2086 CONECT 2084 2083 CONECT 2085 2083 CONECT 2086 2083 CONECT 2087 2082 2088 2089 2090 CONECT 2088 2087 CONECT 2089 2087 CONECT 2090 2087 CONECT 2091 2082 CONECT 2092 1961 CONECT 2093 1960 CONECT 2094 1957 CONECT 2095 1956 CONECT 2096 1953 2097 2109 2110 CONECT 2097 2096 2098 2102 CONECT 2098 2097 2099 2108 CONECT 2099 2098 2100 2107 CONECT 2100 2099 2101 2105 CONECT 2101 2100 2102 2104 CONECT 2102 2097 2101 2103 CONECT 2103 2102 CONECT 2104 2101 CONECT 2105 2100 2106 CONECT 2106 2105 CONECT 2107 2099 CONECT 2108 2098 CONECT 2109 2096 CONECT 2110 2096 CONECT 2111 1953 CONECT 2112 1952 CONECT 2113 1949 2114 2120 2121 CONECT 2114 2113 2115 2118 2119 CONECT 2115 1948 2114 2116 2117 CONECT 2116 2115 CONECT 2117 2115 CONECT 2118 2114 CONECT 2119 2114 CONECT 2120 2113 CONECT 2121 2113 CONECT 2122 1949 CONECT 2123 1945 CONECT 2124 1945 CONECT 2125 1944 CONECT 2126 1944 CONECT 2127 1943 CONECT 2128 1943 CONECT 2129 1943 MASTER 0 0 0 0 0 0 0 0 2128 1 195 14 END
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Entry Information
PDB ID
5jr2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ephrin type-A receptor 4, EphA4 LBD
Ligand Name
13-mer
EC.Number
E.C.2.7.10.1
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=27nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Acs Med.Chem.Lett. Vol. 7: pp. 841-846
Ligand Properties
Formula
C
6
3
H
8
9
N
1
7
O
1
6
S
2
Molecular Weight
1404.620
Exact Mass
1403.610
No. of atoms
187
No. of bonds
192
Polar Surface Area
595.36
LOGP Value
-0.07 (
Computed with XLOGP3
)
-1.79 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 27
No. of Nitrogen and Oxygen Atoms: 33
No. of Rings: 6
Canonical SMILES
[NH3+]CCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc1ccc(cc1)O)CCC[NH+]=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)N)Cc1ccc(cc1)O
InChI String
InChI=1S/C63H87N17O16S2/c1-33(2)52-62(96)75-43(26-35-13-17-38(84)18-14-35)55(89)72-41(9-5-22-69-63(66)67)54(88)68-23-20-50(85)71-45(29-81)58(92)73-44(27-36-28-70-40-8-4-3-7-39(36)40)57(91)76-46(30-82)59(93)77-47(53(65)87)31-97-98-32-48(60(94)79-52)78-56(90)42(25-34-11-15-37(83)16-12-34)74-61(95)49-10-6-24-80(49)51(86)19-21-64/h3-4,7-8,11-18,28,33,41-49,52,70,81-84H,5-6,9-10,19-27,29-32,64H2,1-2H3,(H2,65,87)(H,68,88)(H,71,85)(H,72,89)(H,73,92)(H,74,95)(H,75,96)(H,76,91)(H,77,93)(H,78,90)(H,79,94)(H4,66,67,69)/p+2/t41-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
Links to External Databases
RCSB PDB
The mother database
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P54764
Entrez Gene ID
NCBI Entrez Gene ID:
2043
ASD
Information of known allosteric effects of PDB entries
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