Browse entries in the PDBbind-CN Database
HEADER 6OY2_COMPLEX COMPND 6OY2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET NJJ A 350 87 ATOM 1 N PRO A 1 79.999 65.760 -3.261 1.00 37.25 N ATOM 2 CA PRO A 1 79.001 65.090 -4.100 1.00 30.87 C ATOM 3 C PRO A 1 77.586 65.205 -3.542 1.00 34.62 C ATOM 4 O PRO A 1 77.409 65.641 -2.405 1.00 32.95 O ATOM 5 CB PRO A 1 79.467 63.634 -4.092 1.00 44.38 C ATOM 6 CG PRO A 1 80.126 63.474 -2.766 1.00 37.92 C ATOM 7 CD PRO A 1 80.784 64.797 -2.467 1.00 36.62 C ATOM 8 HN2 PRO A 1 79.512 66.412 -2.614 1.00 0.00 H ATOM 9 HN1 PRO A 1 80.646 66.299 -3.872 1.00 0.00 H ATOM 10 N GLN A 2 76.596 64.827 -4.345 1.00 24.20 N ATOM 11 CA GLN A 2 75.222 64.687 -3.883 1.00 25.52 C ATOM 12 C GLN A 2 74.959 63.215 -3.603 1.00 23.99 C ATOM 13 O GLN A 2 75.220 62.360 -4.456 1.00 25.06 O ATOM 14 CB GLN A 2 74.226 65.222 -4.914 1.00 32.53 C ATOM 15 CG GLN A 2 72.771 64.942 -4.560 1.00 22.89 C ATOM 16 CD GLN A 2 71.799 65.811 -5.334 1.00 30.07 C ATOM 17 OE1 GLN A 2 71.318 66.824 -4.827 1.00 28.94 O ATOM 18 NE2 GLN A 2 71.500 65.416 -6.565 1.00 35.35 N ATOM 19 HE22 GLN A 2 71.931 64.553 -6.953 1.00 0.00 H ATOM 20 HE21 GLN A 2 70.835 65.970 -7.142 1.00 0.00 H ATOM 21 H GLN A 2 76.811 64.623 -5.342 1.00 0.00 H ATOM 22 N ILE A 3 74.458 62.920 -2.407 1.00 24.04 N ATOM 23 CA ILE A 3 74.280 61.549 -1.945 1.00 21.64 C ATOM 24 C ILE A 3 72.791 61.294 -1.760 1.00 22.37 C ATOM 25 O ILE A 3 72.145 61.932 -0.919 1.00 20.01 O ATOM 26 CB ILE A 3 75.050 61.286 -0.640 1.00 18.38 C ATOM 27 CG1 ILE A 3 76.544 61.554 -0.852 1.00 23.47 C ATOM 28 CG2 ILE A 3 74.820 59.851 -0.162 1.00 23.68 C ATOM 29 CD1 ILE A 3 77.383 61.458 0.406 1.00 35.48 C ATOM 30 H ILE A 3 74.182 63.699 -1.776 1.00 0.00 H ATOM 31 N THR A 4 72.250 60.367 -2.545 1.00 19.05 N ATOM 32 CA THR A 4 70.895 59.893 -2.327 1.00 20.24 C ATOM 33 C THR A 4 70.880 58.888 -1.177 1.00 17.62 C ATOM 34 O THR A 4 71.919 58.379 -0.747 1.00 22.20 O ATOM 35 CB THR A 4 70.328 59.262 -3.599 1.00 21.43 C ATOM 36 OG1 THR A 4 71.183 58.197 -4.034 1.00 21.67 O ATOM 37 CG2 THR A 4 70.207 60.303 -4.705 1.00 25.96 C ATOM 38 HG1 THR A 4 70.811 57.792 -4.857 1.00 0.00 H ATOM 39 H THR A 4 72.808 59.974 -3.330 1.00 0.00 H ATOM 40 N LEU A 5 69.679 58.597 -0.678 1.00 19.64 N ATOM 41 CA LEU A 5 69.526 57.823 0.548 1.00 20.08 C ATOM 42 C LEU A 5 68.814 56.493 0.322 1.00 21.34 C ATOM 43 O LEU A 5 68.276 55.911 1.270 1.00 19.98 O ATOM 44 CB LEU A 5 68.796 58.660 1.600 1.00 15.66 C ATOM 45 CG LEU A 5 69.554 59.934 1.989 1.00 15.99 C ATOM 46 CD1 LEU A 5 68.699 60.826 2.872 1.00 15.64 C ATOM 47 CD2 LEU A 5 70.868 59.597 2.690 1.00 14.85 C ATOM 48 H LEU A 5 68.829 58.931 -1.176 1.00 0.00 H ATOM 49 N TRP A 6 68.809 55.997 -0.918 1.00 23.68 N ATOM 50 CA TRP A 6 68.291 54.663 -1.191 1.00 22.63 C ATOM 51 C TRP A 6 69.159 53.585 -0.562 1.00 24.01 C ATOM 52 O TRP A 6 68.672 52.479 -0.305 1.00 23.34 O ATOM 53 CB TRP A 6 68.192 54.443 -2.700 1.00 24.30 C ATOM 54 CG TRP A 6 67.455 55.539 -3.389 1.00 22.38 C ATOM 55 CD1 TRP A 6 67.996 56.593 -4.065 1.00 23.17 C ATOM 56 CD2 TRP A 6 66.036 55.706 -3.453 1.00 21.99 C ATOM 57 NE1 TRP A 6 67.001 57.403 -4.552 1.00 24.44 N ATOM 58 CE2 TRP A 6 65.787 56.880 -4.190 1.00 21.92 C ATOM 59 CE3 TRP A 6 64.952 54.975 -2.961 1.00 26.07 C ATOM 60 CZ2 TRP A 6 64.499 57.339 -4.447 1.00 24.87 C ATOM 61 CZ3 TRP A 6 63.674 55.430 -3.218 1.00 24.34 C ATOM 62 CH2 TRP A 6 63.458 56.601 -3.954 1.00 26.21 C ATOM 63 HE1 TRP A 6 67.145 58.272 -5.105 1.00 0.00 H ATOM 64 H TRP A 6 69.181 56.572 -1.701 1.00 0.00 H ATOM 65 N LYS A 7 70.428 53.889 -0.309 1.00 15.81 N ATOM 66 CA LYS A 7 71.339 53.002 0.394 1.00 18.76 C ATOM 67 C LYS A 7 71.947 53.779 1.556 1.00 18.62 C ATOM 68 O LYS A 7 71.833 55.005 1.637 1.00 22.01 O ATOM 69 CB LYS A 7 72.436 52.464 -0.536 1.00 25.06 C ATOM 70 H LYS A 7 70.788 54.810 -0.631 1.00 0.00 H ATOM 71 N ARG A 8 72.596 53.060 2.461 1.00 19.43 N ATOM 72 CA ARG A 8 73.210 53.714 3.606 1.00 18.70 C ATOM 73 C ARG A 8 74.303 54.672 3.133 1.00 19.41 C ATOM 74 O ARG A 8 75.115 54.310 2.273 1.00 16.05 O ATOM 75 CB ARG A 8 73.802 52.679 4.562 1.00 23.36 C ATOM 76 CG ARG A 8 72.759 51.824 5.254 1.00 26.83 C ATOM 77 CD ARG A 8 73.407 50.736 6.086 1.00 30.53 C ATOM 78 NE ARG A 8 72.427 49.995 6.874 1.00 30.15 N ATOM 79 CZ ARG A 8 72.686 48.858 7.512 1.00 35.80 C ATOM 80 NH1 ARG A 8 73.896 48.318 7.453 1.00 31.66 N ATOM 81 NH2 ARG A 8 71.730 48.257 8.206 1.00 34.68 N ATOM 82 HE ARG A 8 71.464 50.382 6.941 1.00 0.00 H ATOM 83 HH12 ARG A 8 74.093 47.428 7.954 1.00 0.00 H ATOM 84 HH11 ARG A 8 74.647 48.784 6.906 1.00 0.00 H ATOM 85 HH22 ARG A 8 71.931 47.367 8.706 1.00 0.00 H ATOM 86 HH21 ARG A 8 70.779 48.675 8.251 1.00 0.00 H ATOM 87 H ARG A 8 72.666 52.028 2.352 1.00 0.00 H ATOM 88 N PRO A 9 74.357 55.898 3.664 1.00 18.07 N ATOM 89 CA PRO A 9 75.421 56.838 3.247 1.00 13.94 C ATOM 90 C PRO A 9 76.771 56.513 3.877 1.00 15.52 C ATOM 91 O PRO A 9 77.304 57.233 4.729 1.00 16.69 O ATOM 92 CB PRO A 9 74.861 58.188 3.704 1.00 16.49 C ATOM 93 CG PRO A 9 74.030 57.860 4.889 1.00 16.87 C ATOM 94 CD PRO A 9 73.387 56.540 4.569 1.00 17.65 C ATOM 95 N LEU A 10 77.350 55.396 3.447 1.00 17.46 N ATOM 96 CA LEU A 10 78.648 54.959 3.938 1.00 17.89 C ATOM 97 C LEU A 10 79.761 55.569 3.097 1.00 19.36 C ATOM 98 O LEU A 10 79.678 55.611 1.865 1.00 25.27 O ATOM 99 CB LEU A 10 78.748 53.433 3.914 1.00 24.58 C ATOM 100 CG LEU A 10 77.912 52.705 4.970 1.00 31.36 C ATOM 101 CD1 LEU A 10 77.862 51.213 4.687 1.00 37.48 C ATOM 102 CD2 LEU A 10 78.463 52.958 6.366 1.00 31.41 C ATOM 103 H LEU A 10 76.859 54.816 2.737 1.00 0.00 H ATOM 104 N VAL A 11 80.804 56.044 3.775 1.00 20.04 N ATOM 105 CA VAL A 11 81.943 56.674 3.123 1.00 17.21 C ATOM 106 C VAL A 11 83.221 56.174 3.777 1.00 18.22 C ATOM 107 O VAL A 11 83.220 55.675 4.904 1.00 21.42 O ATOM 108 CB VAL A 11 81.888 58.217 3.194 1.00 21.53 C ATOM 109 CG1 VAL A 11 80.635 58.736 2.511 1.00 26.25 C ATOM 110 CG2 VAL A 11 81.953 58.692 4.641 1.00 22.95 C ATOM 111 H VAL A 11 80.805 55.962 4.812 1.00 0.00 H ATOM 112 N THR A 12 84.320 56.324 3.050 1.00 21.41 N ATOM 113 CA THR A 12 85.637 55.990 3.566 1.00 25.75 C ATOM 114 C THR A 12 86.206 57.198 4.296 1.00 18.19 C ATOM 115 O THR A 12 86.175 58.318 3.774 1.00 23.20 O ATOM 116 CB THR A 12 86.567 55.560 2.431 1.00 23.38 C ATOM 117 OG1 THR A 12 86.025 54.400 1.789 1.00 20.27 O ATOM 118 CG2 THR A 12 87.958 55.234 2.958 1.00 23.97 C ATOM 119 HG1 THR A 12 86.626 54.120 1.054 1.00 0.00 H ATOM 120 H THR A 12 84.237 56.692 2.081 1.00 0.00 H ATOM 121 N ILE A 13 86.711 56.970 5.506 1.00 15.38 N ATOM 122 CA ILE A 13 87.341 58.016 6.295 1.00 18.50 C ATOM 123 C ILE A 13 88.783 57.611 6.567 1.00 24.58 C ATOM 124 O ILE A 13 89.141 56.430 6.530 1.00 21.23 O ATOM 125 CB ILE A 13 86.592 58.291 7.619 1.00 15.27 C ATOM 126 CG1 ILE A 13 86.620 57.058 8.529 1.00 20.44 C ATOM 127 CG2 ILE A 13 85.156 58.707 7.331 1.00 21.15 C ATOM 128 CD1 ILE A 13 86.160 57.330 9.945 1.00 24.11 C ATOM 129 H ILE A 13 86.653 56.010 5.901 1.00 0.00 H ATOM 130 N LYS A 14 89.615 58.613 6.840 1.00 22.45 N ATOM 131 CA LYS A 14 91.010 58.408 7.212 1.00 23.60 C ATOM 132 C LYS A 14 91.244 59.067 8.562 1.00 22.47 C ATOM 133 O LYS A 14 91.054 60.279 8.706 1.00 35.76 O ATOM 134 CB LYS A 14 91.957 58.982 6.156 1.00 27.16 C ATOM 135 H LYS A 14 89.254 59.587 6.786 1.00 0.00 H ATOM 136 N ILE A 15 91.646 58.269 9.548 1.00 21.39 N ATOM 137 CA ILE A 15 91.887 58.755 10.902 1.00 24.52 C ATOM 138 C ILE A 15 93.082 58.008 11.473 1.00 35.39 C ATOM 139 O ILE A 15 93.173 56.783 11.346 1.00 28.73 O ATOM 140 CB ILE A 15 90.649 58.577 11.804 1.00 30.18 C ATOM 141 CG1 ILE A 15 90.942 59.105 13.210 1.00 29.98 C ATOM 142 CG2 ILE A 15 90.217 57.111 11.837 1.00 30.49 C ATOM 143 CD1 ILE A 15 89.736 59.143 14.123 1.00 31.63 C ATOM 144 H ILE A 15 91.794 57.260 9.345 1.00 0.00 H ATOM 145 N GLY A 16 93.996 58.743 12.103 1.00 35.08 N ATOM 146 CA GLY A 16 95.200 58.135 12.634 1.00 33.37 C ATOM 147 C GLY A 16 96.027 57.408 11.602 1.00 35.73 C ATOM 148 O GLY A 16 96.793 56.507 11.956 1.00 33.16 O ATOM 149 H GLY A 16 93.844 59.766 12.216 1.00 0.00 H ATOM 150 N GLY A 17 95.894 57.772 10.328 1.00 28.15 N ATOM 151 CA GLY A 17 96.609 57.116 9.257 1.00 23.38 C ATOM 152 C GLY A 17 95.949 55.867 8.717 1.00 33.30 C ATOM 153 O GLY A 17 96.461 55.286 7.752 1.00 35.70 O ATOM 154 H GLY A 17 95.252 58.557 10.095 1.00 0.00 H ATOM 155 N GLN A 18 94.833 55.440 9.300 1.00 31.56 N ATOM 156 CA GLN A 18 94.158 54.209 8.920 1.00 32.78 C ATOM 157 C GLN A 18 92.855 54.530 8.200 1.00 28.61 C ATOM 158 O GLN A 18 92.150 55.477 8.565 1.00 28.05 O ATOM 159 CB GLN A 18 93.863 53.354 10.153 1.00 35.62 C ATOM 160 CG GLN A 18 93.918 51.856 9.909 1.00 52.36 C ATOM 161 CD GLN A 18 93.271 51.062 11.026 1.00 50.03 C ATOM 162 OE1 GLN A 18 92.649 51.628 11.926 1.00 36.82 O ATOM 163 NE2 GLN A 18 93.413 49.744 10.974 1.00 51.79 N ATOM 164 HE22 GLN A 18 93.947 49.309 10.195 1.00 0.00 H ATOM 165 HE21 GLN A 18 92.990 49.146 11.712 1.00 0.00 H ATOM 166 H GLN A 18 94.423 56.014 10.064 1.00 0.00 H ATOM 167 N LEU A 19 92.535 53.737 7.184 1.00 19.96 N ATOM 168 CA LEU A 19 91.273 53.877 6.474 1.00 28.74 C ATOM 169 C LEU A 19 90.188 53.046 7.149 1.00 33.56 C ATOM 170 O LEU A 19 90.444 51.963 7.680 1.00 30.92 O ATOM 171 CB LEU A 19 91.415 53.450 5.012 1.00 25.55 C ATOM 172 CG LEU A 19 92.320 54.287 4.102 1.00 29.97 C ATOM 173 CD1 LEU A 19 92.138 53.852 2.656 1.00 30.95 C ATOM 174 CD2 LEU A 19 92.048 55.779 4.247 1.00 35.23 C ATOM 175 H LEU A 19 93.203 52.997 6.888 1.00 0.00 H ATOM 176 N LYS A 20 88.967 53.574 7.125 1.00 26.61 N ATOM 177 CA LYS A 20 87.815 52.894 7.695 1.00 21.63 C ATOM 178 C LYS A 20 86.570 53.313 6.929 1.00 21.47 C ATOM 179 O LYS A 20 86.571 54.300 6.191 1.00 21.51 O ATOM 180 CB LYS A 20 87.635 53.219 9.182 1.00 25.33 C ATOM 181 CG LYS A 20 88.673 52.618 10.106 1.00 27.90 C ATOM 182 CD LYS A 20 88.432 53.077 11.533 1.00 33.97 C ATOM 183 CE LYS A 20 89.349 52.373 12.515 1.00 35.73 C ATOM 184 NZ LYS A 20 88.857 51.014 12.860 1.00 39.18 N ATOM 185 HZ1 LYS A 20 87.913 51.087 13.291 1.00 0.00 H ATOM 186 HZ2 LYS A 20 88.801 50.437 11.996 1.00 0.00 H ATOM 187 HZ3 LYS A 20 89.513 50.570 13.533 1.00 0.00 H ATOM 188 H LYS A 20 88.832 54.506 6.683 1.00 0.00 H ATOM 189 N GLU A 21 85.501 52.550 7.120 1.00 24.56 N ATOM 190 CA GLU A 21 84.191 52.894 6.591 1.00 20.62 C ATOM 191 C GLU A 21 83.317 53.417 7.722 1.00 16.04 C ATOM 192 O GLU A 21 83.304 52.852 8.819 1.00 14.60 O ATOM 193 CB GLU A 21 83.534 51.681 5.931 1.00 26.55 C ATOM 194 CG GLU A 21 82.232 51.996 5.215 1.00 31.94 C ATOM 195 CD GLU A 21 81.667 50.795 4.484 1.00 38.11 C ATOM 196 OE1 GLU A 21 81.923 50.666 3.268 1.00 30.69 O ATOM 197 OE2 GLU A 21 80.975 49.977 5.125 1.00 38.60 O ATOM 198 H GLU A 21 85.604 51.673 7.669 1.00 0.00 H ATOM 199 N ALA A 22 82.595 54.503 7.453 1.00 22.67 N ATOM 200 CA ALA A 22 81.752 55.128 8.460 1.00 17.60 C ATOM 201 C ALA A 22 80.457 55.607 7.821 1.00 13.12 C ATOM 202 O ALA A 22 80.364 55.790 6.605 1.00 17.34 O ATOM 203 CB ALA A 22 82.467 56.298 9.149 1.00 16.02 C ATOM 204 H ALA A 22 82.635 54.915 6.499 1.00 0.00 H ATOM 205 N LEU A 23 79.454 55.813 8.670 1.00 14.18 N ATOM 206 CA LEU A 23 78.114 56.190 8.245 1.00 11.77 C ATOM 207 C LEU A 23 77.883 57.671 8.518 1.00 12.56 C ATOM 208 O LEU A 23 78.065 58.133 9.650 1.00 16.85 O ATOM 209 CB LEU A 23 77.073 55.349 8.986 1.00 16.57 C ATOM 210 CG LEU A 23 75.605 55.528 8.602 1.00 16.68 C ATOM 211 CD1 LEU A 23 75.333 54.921 7.239 1.00 19.47 C ATOM 212 CD2 LEU A 23 74.709 54.904 9.660 1.00 20.13 C ATOM 213 H LEU A 23 79.636 55.699 9.688 1.00 0.00 H ATOM 214 N LEU A 24 77.488 58.412 7.484 1.00 15.35 N ATOM 215 CA LEU A 24 77.100 59.806 7.664 1.00 14.35 C ATOM 216 C LEU A 24 75.731 59.852 8.329 1.00 14.46 C ATOM 217 O LEU A 24 74.735 59.410 7.748 1.00 16.40 O ATOM 218 CB LEU A 24 77.082 60.534 6.324 1.00 16.49 C ATOM 219 CG LEU A 24 78.371 60.453 5.503 1.00 14.70 C ATOM 220 CD1 LEU A 24 78.223 61.246 4.212 1.00 16.07 C ATOM 221 CD2 LEU A 24 79.567 60.945 6.302 1.00 17.26 C ATOM 222 H LEU A 24 77.456 57.990 6.534 1.00 0.00 H ATOM 223 N ASP A 25 75.683 60.395 9.545 1.00 13.51 N ATOM 224 CA ASP A 25 74.548 60.224 10.454 1.00 13.38 C ATOM 225 C ASP A 25 74.076 61.595 10.937 1.00 10.78 C ATOM 226 O ASP A 25 74.565 62.108 11.946 1.00 12.56 O ATOM 227 CB ASP A 25 74.962 59.326 11.614 1.00 11.76 C ATOM 228 CG ASP A 25 73.812 58.974 12.527 1.00 12.36 C ATOM 229 OD1 ASP A 25 72.694 59.495 12.324 1.00 14.57 O ATOM 230 OD2 ASP A 25 74.036 58.164 13.450 1.00 13.38 O ATOM 231 H ASP A 25 76.490 60.968 9.864 1.00 0.00 H ATOM 232 N THR A 26 73.109 62.181 10.226 1.00 12.15 N ATOM 233 CA THR A 26 72.606 63.495 10.610 1.00 14.13 C ATOM 234 C THR A 26 71.839 63.461 11.927 1.00 14.70 C ATOM 235 O THR A 26 71.645 64.515 12.539 1.00 12.80 O ATOM 236 CB THR A 26 71.713 64.072 9.508 1.00 11.96 C ATOM 237 OG1 THR A 26 70.612 63.189 9.258 1.00 11.61 O ATOM 238 CG2 THR A 26 72.505 64.269 8.226 1.00 16.71 C ATOM 239 HG1 THR A 26 70.081 63.083 10.087 1.00 0.00 H ATOM 240 H THR A 26 72.713 61.698 9.395 1.00 0.00 H ATOM 241 N GLY A 27 71.399 62.286 12.373 1.00 14.08 N ATOM 242 CA GLY A 27 70.753 62.153 13.663 1.00 13.32 C ATOM 243 C GLY A 27 71.690 61.997 14.838 1.00 20.03 C ATOM 244 O GLY A 27 71.232 61.787 15.966 1.00 16.64 O ATOM 245 H GLY A 27 71.522 61.441 11.779 1.00 0.00 H ATOM 246 N ALA A 28 72.996 62.090 14.609 1.00 12.04 N ATOM 247 CA ALA A 28 73.998 61.991 15.663 1.00 11.81 C ATOM 248 C ALA A 28 74.609 63.366 15.897 1.00 12.22 C ATOM 249 O ALA A 28 75.117 63.989 14.958 1.00 12.88 O ATOM 250 CB ALA A 28 75.081 60.982 15.286 1.00 15.72 C ATOM 251 H ALA A 28 73.318 62.241 13.632 1.00 0.00 H ATOM 252 N ASP A 29 74.553 63.839 17.146 1.00 13.71 N ATOM 253 CA ASP A 29 75.245 65.076 17.495 1.00 13.93 C ATOM 254 C ASP A 29 76.749 64.916 17.338 1.00 16.93 C ATOM 255 O ASP A 29 77.439 65.833 16.877 1.00 12.39 O ATOM 256 CB ASP A 29 74.932 65.484 18.936 1.00 14.67 C ATOM 257 CG ASP A 29 73.461 65.717 19.180 1.00 20.17 C ATOM 258 OD1 ASP A 29 72.720 65.990 18.213 1.00 19.73 O ATOM 259 OD2 ASP A 29 73.052 65.639 20.358 1.00 16.10 O ATOM 260 H ASP A 29 74.015 63.324 17.872 1.00 0.00 H ATOM 261 N ASP A 30 77.270 63.756 17.722 1.00 14.80 N ATOM 262 CA ASP A 30 78.696 63.535 17.861 1.00 14.18 C ATOM 263 C ASP A 30 79.137 62.375 16.981 1.00 17.00 C ATOM 264 O ASP A 30 78.325 61.569 16.517 1.00 14.17 O ATOM 265 CB ASP A 30 79.062 63.246 19.322 1.00 17.36 C ATOM 266 CG ASP A 30 78.560 64.317 20.272 1.00 19.64 C ATOM 267 OD1 ASP A 30 78.819 65.512 20.017 1.00 25.55 O ATOM 268 OD2 ASP A 30 77.892 63.964 21.264 1.00 26.31 O ATOM 269 H ASP A 30 76.624 62.969 17.933 1.00 0.00 H ATOM 270 N THR A 31 80.446 62.308 16.762 1.00 17.81 N ATOM 271 CA THR A 31 81.060 61.234 15.996 1.00 10.16 C ATOM 272 C THR A 31 81.528 60.146 16.954 1.00 18.98 C ATOM 273 O THR A 31 82.229 60.431 17.930 1.00 17.84 O ATOM 274 CB THR A 31 82.233 61.775 15.174 1.00 13.25 C ATOM 275 OG1 THR A 31 81.739 62.665 14.165 1.00 17.09 O ATOM 276 CG2 THR A 31 83.021 60.651 14.508 1.00 15.87 C ATOM 277 HG1 THR A 31 81.262 63.418 14.596 1.00 0.00 H ATOM 278 H THR A 31 81.056 63.053 17.154 1.00 0.00 H ATOM 279 N VAL A 32 81.130 58.906 16.680 1.00 15.19 N ATOM 280 CA VAL A 32 81.471 57.767 17.524 1.00 12.48 C ATOM 281 C VAL A 32 82.010 56.658 16.633 1.00 15.53 C ATOM 282 O VAL A 32 81.360 56.269 15.656 1.00 14.53 O ATOM 283 CB VAL A 32 80.260 57.267 18.336 1.00 15.06 C ATOM 284 CG1 VAL A 32 80.712 56.268 19.396 1.00 16.44 C ATOM 285 CG2 VAL A 32 79.519 58.434 18.976 1.00 20.93 C ATOM 286 H VAL A 32 80.553 58.743 15.830 1.00 0.00 H ATOM 287 N LEU A 33 83.192 56.150 16.970 1.00 15.69 N ATOM 288 CA LEU A 33 83.836 55.090 16.211 1.00 14.72 C ATOM 289 C LEU A 33 84.019 53.861 17.090 1.00 16.55 C ATOM 290 O LEU A 33 84.159 53.965 18.311 1.00 16.68 O ATOM 291 CB LEU A 33 85.196 55.541 15.669 1.00 18.85 C ATOM 292 CG LEU A 33 85.198 56.810 14.816 1.00 17.91 C ATOM 293 CD1 LEU A 33 86.611 57.117 14.347 1.00 26.92 C ATOM 294 CD2 LEU A 33 84.262 56.675 13.627 1.00 19.86 C ATOM 295 H LEU A 33 83.675 56.526 17.811 1.00 0.00 H ATOM 296 N GLU A 34 84.013 52.693 16.454 1.00 17.64 N ATOM 297 CA GLU A 34 84.233 51.447 17.170 1.00 17.27 C ATOM 298 C GLU A 34 85.634 51.424 17.777 1.00 16.33 C ATOM 299 O GLU A 34 86.516 52.201 17.403 1.00 18.29 O ATOM 300 CB GLU A 34 84.042 50.255 16.234 1.00 20.60 C ATOM 301 CG GLU A 34 82.629 50.123 15.685 1.00 16.37 C ATOM 302 CD GLU A 34 82.467 48.921 14.777 1.00 20.68 C ATOM 303 OE1 GLU A 34 83.108 48.895 13.707 1.00 23.72 O ATOM 304 OE2 GLU A 34 81.709 47.997 15.139 1.00 31.41 O ATOM 305 H GLU A 34 83.848 52.671 15.427 1.00 0.00 H ATOM 306 N GLU A 35 85.827 50.511 18.727 1.00 21.23 N ATOM 307 CA GLU A 35 87.086 50.420 19.456 1.00 21.21 C ATOM 308 C GLU A 35 88.271 50.425 18.499 1.00 22.55 C ATOM 309 O GLU A 35 88.296 49.683 17.515 1.00 21.97 O ATOM 310 CB GLU A 35 87.101 49.149 20.307 1.00 34.96 C ATOM 311 CG GLU A 35 88.362 48.970 21.140 1.00 36.76 C ATOM 312 CD GLU A 35 88.552 50.080 22.153 1.00 43.01 C ATOM 313 OE1 GLU A 35 87.539 50.654 22.603 1.00 45.10 O ATOM 314 OE2 GLU A 35 89.715 50.381 22.495 1.00 52.93 O ATOM 315 H GLU A 35 85.060 49.846 18.955 1.00 0.00 H ATOM 316 N MET A 36 89.254 51.267 18.800 1.00 23.50 N ATOM 317 CA MET A 36 90.448 51.385 17.974 1.00 26.74 C ATOM 318 C MET A 36 91.542 52.039 18.804 1.00 31.17 C ATOM 319 O MET A 36 91.291 52.591 19.878 1.00 27.95 O ATOM 320 CB MET A 36 90.175 52.197 16.704 1.00 30.69 C ATOM 321 CG MET A 36 89.858 53.666 16.962 1.00 27.21 C ATOM 322 SD MET A 36 89.655 54.630 15.453 1.00 31.45 S ATOM 323 CE MET A 36 91.291 54.501 14.731 1.00 33.00 C ATOM 324 H MET A 36 89.168 51.859 19.651 1.00 0.00 H ATOM 325 N ASN A 37 92.763 51.979 18.282 1.00 37.24 N ATOM 326 CA ASN A 37 93.916 52.622 18.900 1.00 46.30 C ATOM 327 C ASN A 37 94.125 53.986 18.255 1.00 38.28 C ATOM 328 O ASN A 37 94.267 54.083 17.032 1.00 32.12 O ATOM 329 CB ASN A 37 95.167 51.756 18.747 1.00 43.13 C ATOM 330 CG ASN A 37 95.135 50.526 19.632 1.00 47.49 C ATOM 331 OD1 ASN A 37 94.892 50.618 20.835 1.00 49.89 O ATOM 332 ND2 ASN A 37 95.372 49.363 19.037 1.00 50.89 N ATOM 333 HD22 ASN A 37 95.573 49.332 18.017 1.00 0.00 H ATOM 334 HD21 ASN A 37 95.357 48.483 19.591 1.00 0.00 H ATOM 335 H ASN A 37 92.901 51.452 17.396 1.00 0.00 H ATOM 336 N LEU A 38 94.131 55.035 19.075 1.00 40.90 N ATOM 337 CA LEU A 38 94.390 56.382 18.594 1.00 43.84 C ATOM 338 C LEU A 38 95.481 57.029 19.436 1.00 40.68 C ATOM 339 O LEU A 38 95.480 56.890 20.665 1.00 39.06 O ATOM 340 CB LEU A 38 93.122 57.250 18.645 1.00 49.14 C ATOM 341 CG LEU A 38 92.145 57.184 17.467 1.00 44.17 C ATOM 342 CD1 LEU A 38 91.010 58.178 17.682 1.00 35.23 C ATOM 343 CD2 LEU A 38 92.832 57.454 16.133 1.00 35.15 C ATOM 344 H LEU A 38 93.945 54.887 20.087 1.00 0.00 H ATOM 345 N PRO A 39 96.420 57.740 18.814 1.00 43.82 N ATOM 346 CA PRO A 39 97.477 58.394 19.592 1.00 49.40 C ATOM 347 C PRO A 39 96.952 59.604 20.351 1.00 45.69 C ATOM 348 O PRO A 39 95.940 60.212 19.995 1.00 45.34 O ATOM 349 CB PRO A 39 98.502 58.804 18.530 1.00 45.58 C ATOM 350 CG PRO A 39 97.716 58.937 17.276 1.00 40.16 C ATOM 351 CD PRO A 39 96.595 57.943 17.364 1.00 43.37 C ATOM 352 N GLY A 40 97.663 59.945 21.421 1.00 59.16 N ATOM 353 CA GLY A 40 97.323 61.092 22.242 1.00 66.08 C ATOM 354 C GLY A 40 96.550 60.698 23.486 1.00 57.82 C ATOM 355 O GLY A 40 96.255 59.526 23.742 1.00 57.15 O ATOM 356 H GLY A 40 98.491 59.370 21.678 1.00 0.00 H ATOM 357 N ARG A 41 96.219 61.716 24.272 1.00 48.31 N ATOM 358 CA ARG A 41 95.471 61.527 25.503 1.00 47.24 C ATOM 359 C ARG A 41 93.971 61.560 25.228 1.00 42.15 C ATOM 360 O ARG A 41 93.514 61.994 24.168 1.00 37.08 O ATOM 361 CB ARG A 41 95.841 62.600 26.527 1.00 42.42 C ATOM 362 H ARG A 41 96.504 62.678 23.998 1.00 0.00 H ATOM 363 N TRP A 42 93.203 61.092 26.210 1.00 44.65 N ATOM 364 CA TRP A 42 91.755 61.027 26.086 1.00 35.49 C ATOM 365 C TRP A 42 91.134 61.153 27.468 1.00 37.22 C ATOM 366 O TRP A 42 91.803 60.977 28.490 1.00 44.06 O ATOM 367 CB TRP A 42 91.311 59.721 25.419 1.00 31.24 C ATOM 368 CG TRP A 42 91.888 58.507 26.072 1.00 32.93 C ATOM 369 CD1 TRP A 42 93.055 57.882 25.751 1.00 33.05 C ATOM 370 CD2 TRP A 42 91.328 57.773 27.167 1.00 31.13 C ATOM 371 NE1 TRP A 42 93.257 56.802 26.575 1.00 37.18 N ATOM 372 CE2 TRP A 42 92.210 56.714 27.453 1.00 35.57 C ATOM 373 CE3 TRP A 42 90.165 57.909 27.931 1.00 32.16 C ATOM 374 CZ2 TRP A 42 91.966 55.794 28.470 1.00 35.57 C ATOM 375 CZ3 TRP A 42 89.925 56.994 28.941 1.00 28.16 C ATOM 376 CH2 TRP A 42 90.822 55.951 29.201 1.00 34.99 C ATOM 377 HE1 TRP A 42 94.072 56.157 26.538 1.00 0.00 H ATOM 378 H TRP A 42 93.651 60.764 27.090 1.00 0.00 H ATOM 379 N LYS A 43 89.838 61.458 27.486 1.00 32.63 N ATOM 380 CA LYS A 43 89.099 61.611 28.725 1.00 33.44 C ATOM 381 C LYS A 43 87.883 60.691 28.729 1.00 29.51 C ATOM 382 O LYS A 43 87.211 60.560 27.701 1.00 22.13 O ATOM 383 CB LYS A 43 88.640 63.064 28.910 1.00 35.39 C ATOM 384 H LYS A 43 89.340 61.591 26.583 1.00 0.00 H ATOM 385 N PRO A 44 87.577 60.036 29.852 1.00 31.80 N ATOM 386 CA PRO A 44 86.363 59.205 29.905 1.00 24.14 C ATOM 387 C PRO A 44 85.108 60.058 29.791 1.00 29.48 C ATOM 388 O PRO A 44 84.962 61.068 30.483 1.00 26.21 O ATOM 389 CB PRO A 44 86.449 58.508 31.270 1.00 29.97 C ATOM 390 CG PRO A 44 87.543 59.169 32.019 1.00 33.62 C ATOM 391 CD PRO A 44 88.411 59.900 31.058 1.00 29.79 C ATOM 392 N LYS A 45 84.196 59.637 28.916 1.00 15.93 N ATOM 393 CA LYS A 45 82.957 60.361 28.678 1.00 19.76 C ATOM 394 C LYS A 45 81.805 59.372 28.569 1.00 22.45 C ATOM 395 O LYS A 45 82.005 58.168 28.393 1.00 25.24 O ATOM 396 CB LYS A 45 83.040 61.215 27.406 1.00 28.16 C ATOM 397 H LYS A 45 84.376 58.761 28.385 1.00 0.00 H ATOM 398 N MET A 46 80.591 59.902 28.684 1.00 23.01 N ATOM 399 CA MET A 46 79.366 59.131 28.543 1.00 27.02 C ATOM 400 C MET A 46 78.548 59.702 27.395 1.00 27.55 C ATOM 401 O MET A 46 78.514 60.921 27.196 1.00 27.17 O ATOM 402 CB MET A 46 78.542 59.168 29.833 1.00 32.59 C ATOM 403 CG MET A 46 79.264 58.630 31.060 1.00 39.60 C ATOM 404 SD MET A 46 79.479 56.841 31.045 1.00 37.33 S ATOM 405 CE MET A 46 77.776 56.287 31.084 1.00 35.28 C ATOM 406 H MET A 46 80.514 60.919 28.885 1.00 0.00 H ATOM 407 N ILE A 47 77.892 58.825 26.639 1.00 25.88 N ATOM 408 CA ILE A 47 77.020 59.245 25.547 1.00 21.24 C ATOM 409 C ILE A 47 75.845 58.282 25.467 1.00 25.05 C ATOM 410 O ILE A 47 76.001 57.071 25.660 1.00 21.99 O ATOM 411 CB ILE A 47 77.780 59.320 24.204 1.00 26.89 C ATOM 412 CG1 ILE A 47 76.944 60.064 23.157 1.00 29.01 C ATOM 413 CG2 ILE A 47 78.152 57.927 23.701 1.00 26.73 C ATOM 414 CD1 ILE A 47 77.777 60.731 22.080 1.00 43.28 C ATOM 415 H ILE A 47 78.004 57.809 26.832 1.00 0.00 H ATOM 416 N GLY A 48 74.667 58.825 25.183 1.00 18.03 N ATOM 417 CA GLY A 48 73.434 58.053 25.133 1.00 27.76 C ATOM 418 C GLY A 48 72.926 57.912 23.713 1.00 22.93 C ATOM 419 O GLY A 48 73.065 58.829 22.895 1.00 26.12 O ATOM 420 H GLY A 48 74.623 59.846 24.988 1.00 0.00 H ATOM 421 N GLY A 49 72.338 56.756 23.426 1.00 17.11 N ATOM 422 CA GLY A 49 71.728 56.471 22.150 1.00 19.62 C ATOM 423 C GLY A 49 70.290 56.028 22.330 1.00 27.33 C ATOM 424 O GLY A 49 69.644 56.319 23.342 1.00 18.70 O ATOM 425 H GLY A 49 72.316 56.018 24.159 1.00 0.00 H ATOM 426 N ILE A 50 69.801 55.290 21.332 1.00 16.97 N ATOM 427 CA ILE A 50 68.411 54.854 21.365 1.00 14.25 C ATOM 428 C ILE A 50 68.187 53.842 22.482 1.00 20.53 C ATOM 429 O ILE A 50 67.085 53.759 23.043 1.00 20.51 O ATOM 430 CB ILE A 50 67.994 54.286 19.996 1.00 21.74 C ATOM 431 CG1 ILE A 50 66.466 54.186 19.914 1.00 21.11 C ATOM 432 CG2 ILE A 50 68.616 52.909 19.748 1.00 24.66 C ATOM 433 CD1 ILE A 50 65.928 54.073 18.503 1.00 23.48 C ATOM 434 H ILE A 50 70.411 55.026 20.532 1.00 0.00 H ATOM 435 N GLY A 51 69.211 53.063 22.825 1.00 14.95 N ATOM 436 CA GLY A 51 69.082 52.009 23.809 1.00 23.01 C ATOM 437 C GLY A 51 69.691 52.282 25.165 1.00 25.40 C ATOM 438 O GLY A 51 69.714 51.375 26.006 1.00 19.83 O ATOM 439 H GLY A 51 70.134 53.217 22.371 1.00 0.00 H ATOM 440 N GLY A 52 70.184 53.495 25.421 1.00 17.31 N ATOM 441 CA GLY A 52 70.770 53.829 26.699 1.00 21.24 C ATOM 442 C GLY A 52 72.113 54.497 26.518 1.00 23.20 C ATOM 443 O GLY A 52 72.418 55.050 25.456 1.00 21.51 O ATOM 444 H GLY A 52 70.145 54.222 24.678 1.00 0.00 H ATOM 445 N PHE A 53 72.929 54.432 27.566 1.00 18.65 N ATOM 446 CA PHE A 53 74.192 55.150 27.626 1.00 23.00 C ATOM 447 C PHE A 53 75.363 54.179 27.662 1.00 22.00 C ATOM 448 O PHE A 53 75.268 53.081 28.219 1.00 22.35 O ATOM 449 CB PHE A 53 74.239 56.066 28.852 1.00 25.78 C ATOM 450 CG PHE A 53 73.296 57.230 28.768 1.00 24.04 C ATOM 451 CD1 PHE A 53 71.929 57.039 28.873 1.00 29.04 C ATOM 452 CD2 PHE A 53 73.776 58.514 28.581 1.00 27.18 C ATOM 453 CE1 PHE A 53 71.058 58.107 28.790 1.00 34.23 C ATOM 454 CE2 PHE A 53 72.909 59.588 28.500 1.00 29.35 C ATOM 455 CZ PHE A 53 71.548 59.383 28.606 1.00 35.07 C ATOM 456 H PHE A 53 72.652 53.843 28.377 1.00 0.00 H ATOM 457 N ILE A 54 76.474 54.605 27.060 1.00 15.83 N ATOM 458 CA ILE A 54 77.701 53.825 27.013 1.00 22.15 C ATOM 459 C ILE A 54 78.860 54.710 27.452 1.00 24.48 C ATOM 460 O ILE A 54 78.780 55.940 27.430 1.00 22.12 O ATOM 461 CB ILE A 54 77.978 53.248 25.606 1.00 22.32 C ATOM 462 CG1 ILE A 54 78.107 54.378 24.577 1.00 19.78 C ATOM 463 CG2 ILE A 54 76.872 52.277 25.208 1.00 22.54 C ATOM 464 CD1 ILE A 54 78.607 53.920 23.219 1.00 19.42 C ATOM 465 H ILE A 54 76.463 55.539 26.603 1.00 0.00 H ATOM 466 N LYS A 55 79.952 54.060 27.844 1.00 21.64 N ATOM 467 CA LYS A 55 81.189 54.754 28.171 1.00 22.68 C ATOM 468 C LYS A 55 82.074 54.797 26.933 1.00 20.24 C ATOM 469 O LYS A 55 82.244 53.782 26.250 1.00 22.73 O ATOM 470 CB LYS A 55 81.914 54.057 29.323 1.00 18.92 C ATOM 471 H LYS A 55 79.921 53.023 27.919 1.00 0.00 H ATOM 472 N VAL A 56 82.627 55.975 26.641 1.00 16.17 N ATOM 473 CA VAL A 56 83.466 56.175 25.470 1.00 19.72 C ATOM 474 C VAL A 56 84.727 56.921 25.878 1.00 20.71 C ATOM 475 O VAL A 56 84.793 57.553 26.934 1.00 23.58 O ATOM 476 CB VAL A 56 82.728 56.945 24.352 1.00 25.67 C ATOM 477 CG1 VAL A 56 81.566 56.122 23.823 1.00 16.17 C ATOM 478 CG2 VAL A 56 82.238 58.297 24.862 1.00 19.51 C ATOM 479 H VAL A 56 82.452 56.781 27.275 1.00 0.00 H ATOM 480 N ARG A 57 85.739 56.832 25.018 1.00 18.00 N ATOM 481 CA ARG A 57 86.963 57.609 25.154 1.00 23.40 C ATOM 482 C ARG A 57 86.862 58.813 24.226 1.00 26.54 C ATOM 483 O ARG A 57 86.642 58.653 23.021 1.00 25.25 O ATOM 484 CB ARG A 57 88.193 56.767 24.814 1.00 28.33 C ATOM 485 CG ARG A 57 88.198 55.385 25.453 1.00 32.45 C ATOM 486 CD ARG A 57 89.600 54.789 25.498 1.00 32.02 C ATOM 487 NE ARG A 57 90.313 54.929 24.231 1.00 35.71 N ATOM 488 CZ ARG A 57 90.325 54.022 23.256 1.00 57.11 C ATOM 489 NH1 ARG A 57 91.011 54.260 22.145 1.00 46.45 N ATOM 490 NH2 ARG A 57 89.661 52.882 23.377 1.00 56.32 N ATOM 491 HE ARG A 57 90.853 55.805 24.078 1.00 0.00 H ATOM 492 HH12 ARG A 57 91.024 53.555 21.381 1.00 0.00 H ATOM 493 HH11 ARG A 57 91.536 55.152 22.039 1.00 0.00 H ATOM 494 HH22 ARG A 57 89.681 52.184 22.606 1.00 0.00 H ATOM 495 HH21 ARG A 57 89.120 52.685 24.243 1.00 0.00 H ATOM 496 H ARG A 57 85.652 56.179 24.213 1.00 0.00 H ATOM 497 N GLN A 58 87.014 60.010 24.784 1.00 24.11 N ATOM 498 CA GLN A 58 86.854 61.246 24.030 1.00 18.75 C ATOM 499 C GLN A 58 88.223 61.762 23.603 1.00 21.60 C ATOM 500 O GLN A 58 89.048 62.120 24.450 1.00 24.65 O ATOM 501 CB GLN A 58 86.121 62.299 24.861 1.00 17.88 C ATOM 502 CG GLN A 58 85.979 63.646 24.164 1.00 16.75 C ATOM 503 CD GLN A 58 85.160 64.634 24.968 1.00 25.80 C ATOM 504 OE1 GLN A 58 84.388 64.249 25.845 1.00 36.14 O ATOM 505 NE2 GLN A 58 85.328 65.920 24.675 1.00 30.72 N ATOM 506 HE22 GLN A 58 85.992 66.200 23.925 1.00 0.00 H ATOM 507 HE21 GLN A 58 84.795 66.646 25.196 1.00 0.00 H ATOM 508 H GLN A 58 87.256 60.066 25.794 1.00 0.00 H ATOM 509 N TYR A 59 88.453 61.801 22.294 1.00 19.08 N ATOM 510 CA TYR A 59 89.656 62.382 21.710 1.00 24.40 C ATOM 511 C TYR A 59 89.284 63.713 21.070 1.00 22.79 C ATOM 512 O TYR A 59 88.408 63.763 20.200 1.00 21.58 O ATOM 513 CB TYR A 59 90.273 61.446 20.672 1.00 25.32 C ATOM 514 CG TYR A 59 90.749 60.127 21.229 1.00 24.65 C ATOM 515 CD1 TYR A 59 89.867 59.072 21.419 1.00 25.64 C ATOM 516 CD2 TYR A 59 92.084 59.933 21.557 1.00 31.14 C ATOM 517 CE1 TYR A 59 90.300 57.864 21.924 1.00 31.94 C ATOM 518 CE2 TYR A 59 92.527 58.727 22.062 1.00 31.26 C ATOM 519 CZ TYR A 59 91.631 57.696 22.243 1.00 35.69 C ATOM 520 OH TYR A 59 92.067 56.492 22.747 1.00 29.08 O ATOM 521 HH TYR A 59 91.302 55.867 22.813 1.00 0.00 H ATOM 522 H TYR A 59 87.739 61.397 21.655 1.00 0.00 H ATOM 523 N ASP A 60 89.946 64.781 21.497 1.00 24.44 N ATOM 524 CA ASP A 60 89.660 66.118 21.000 1.00 27.63 C ATOM 525 C ASP A 60 90.675 66.527 19.941 1.00 22.38 C ATOM 526 O ASP A 60 91.820 66.069 19.937 1.00 26.99 O ATOM 527 CB ASP A 60 89.670 67.135 22.143 1.00 31.58 C ATOM 528 CG ASP A 60 88.552 66.905 23.137 1.00 32.58 C ATOM 529 OD1 ASP A 60 87.423 66.594 22.703 1.00 29.79 O ATOM 530 OD2 ASP A 60 88.802 67.030 24.354 1.00 42.88 O ATOM 531 H ASP A 60 90.693 64.658 22.210 1.00 0.00 H ATOM 532 N GLN A 61 90.234 67.400 19.037 1.00 22.22 N ATOM 533 CA GLN A 61 91.098 67.991 18.018 1.00 27.84 C ATOM 534 C GLN A 61 91.846 66.913 17.233 1.00 34.11 C ATOM 535 O GLN A 61 93.066 66.962 17.061 1.00 24.62 O ATOM 536 CB GLN A 61 92.067 68.987 18.656 1.00 37.22 C ATOM 537 CG GLN A 61 92.262 70.263 17.851 1.00 34.69 C ATOM 538 CD GLN A 61 93.001 71.337 18.626 1.00 39.20 C ATOM 539 OE1 GLN A 61 92.654 71.644 19.766 1.00 35.72 O ATOM 540 NE2 GLN A 61 94.025 71.912 18.010 1.00 27.22 N ATOM 541 HE22 GLN A 61 94.282 71.620 17.046 1.00 0.00 H ATOM 542 HE21 GLN A 61 94.571 72.655 18.491 1.00 0.00 H ATOM 543 H GLN A 61 89.231 67.673 19.057 1.00 0.00 H ATOM 544 N ILE A 62 91.091 65.931 16.743 1.00 23.25 N ATOM 545 CA ILE A 62 91.640 64.814 15.984 1.00 23.05 C ATOM 546 C ILE A 62 91.477 65.099 14.500 1.00 23.02 C ATOM 547 O ILE A 62 90.399 65.510 14.052 1.00 21.10 O ATOM 548 CB ILE A 62 90.948 63.492 16.360 1.00 21.77 C ATOM 549 CG1 ILE A 62 91.171 63.168 17.839 1.00 23.85 C ATOM 550 CG2 ILE A 62 91.443 62.346 15.473 1.00 26.74 C ATOM 551 CD1 ILE A 62 92.633 63.050 18.247 1.00 37.98 C ATOM 552 H ILE A 62 90.065 65.963 16.909 1.00 0.00 H ATOM 553 N LEU A 63 92.540 64.866 13.737 1.00 17.08 N ATOM 554 CA LEU A 63 92.478 64.977 12.288 1.00 24.69 C ATOM 555 C LEU A 63 91.739 63.777 11.711 1.00 29.36 C ATOM 556 O LEU A 63 92.078 62.627 12.003 1.00 26.02 O ATOM 557 CB LEU A 63 93.883 65.066 11.693 1.00 26.67 C ATOM 558 CG LEU A 63 94.532 66.453 11.669 1.00 31.75 C ATOM 559 CD1 LEU A 63 94.571 67.069 13.058 1.00 31.35 C ATOM 560 CD2 LEU A 63 95.933 66.373 11.079 1.00 36.90 C ATOM 561 H LEU A 63 93.438 64.598 14.187 1.00 0.00 H ATOM 562 N ILE A 64 90.729 64.049 10.892 1.00 22.00 N ATOM 563 CA ILE A 64 89.940 62.998 10.259 1.00 19.94 C ATOM 564 C ILE A 64 89.502 63.494 8.891 1.00 23.59 C ATOM 565 O ILE A 64 88.950 64.591 8.764 1.00 27.83 O ATOM 566 CB ILE A 64 88.725 62.595 11.119 1.00 22.60 C ATOM 567 CG1 ILE A 64 87.833 61.611 10.357 1.00 29.77 C ATOM 568 CG2 ILE A 64 87.934 63.828 11.542 1.00 32.89 C ATOM 569 CD1 ILE A 64 86.788 60.939 11.223 1.00 32.78 C ATOM 570 H ILE A 64 90.493 65.043 10.696 1.00 0.00 H ATOM 571 N GLU A 65 89.755 62.686 7.867 1.00 27.70 N ATOM 572 CA GLU A 65 89.400 63.011 6.494 1.00 21.44 C ATOM 573 C GLU A 65 88.204 62.166 6.081 1.00 26.05 C ATOM 574 O GLU A 65 88.219 60.942 6.244 1.00 26.73 O ATOM 575 CB GLU A 65 90.585 62.769 5.556 1.00 26.91 C ATOM 576 CG GLU A 65 90.336 63.184 4.117 1.00 37.77 C ATOM 577 CD GLU A 65 91.619 63.302 3.318 1.00 48.15 C ATOM 578 OE1 GLU A 65 92.569 62.542 3.602 1.00 43.48 O ATOM 579 OE2 GLU A 65 91.681 64.161 2.413 1.00 50.88 O ATOM 580 H GLU A 65 90.229 61.780 8.056 1.00 0.00 H ATOM 581 N ILE A 66 87.172 62.821 5.555 1.00 21.90 N ATOM 582 CA ILE A 66 85.897 62.181 5.245 1.00 23.61 C ATOM 583 C ILE A 66 85.626 62.390 3.763 1.00 22.51 C ATOM 584 O ILE A 66 85.370 63.520 3.326 1.00 21.10 O ATOM 585 CB ILE A 66 84.752 62.746 6.097 1.00 23.11 C ATOM 586 CG1 ILE A 66 85.066 62.583 7.587 1.00 23.52 C ATOM 587 CG2 ILE A 66 83.436 62.053 5.757 1.00 19.19 C ATOM 588 CD1 ILE A 66 84.216 63.447 8.482 1.00 23.56 C ATOM 589 H ILE A 66 87.279 63.836 5.355 1.00 0.00 H ATOM 590 N CYS A 67 85.674 61.306 2.990 1.00 23.02 N ATOM 591 CA CYS A 67 85.386 61.355 1.558 1.00 34.61 C ATOM 592 C CYS A 67 86.193 62.457 0.877 1.00 32.27 C ATOM 593 O CYS A 67 85.709 63.155 -0.016 1.00 42.02 O ATOM 594 CB CYS A 67 83.888 61.547 1.312 1.00 36.68 C ATOM 595 SG CYS A 67 83.366 61.229 -0.388 1.00 62.11 S ATOM 596 H CYS A 67 85.925 60.393 3.421 1.00 0.00 H ATOM 597 N GLY A 68 87.443 62.619 1.312 1.00 30.25 N ATOM 598 CA GLY A 68 88.329 63.613 0.750 1.00 35.40 C ATOM 599 C GLY A 68 88.260 64.979 1.399 1.00 36.57 C ATOM 600 O GLY A 68 89.050 65.858 1.034 1.00 36.57 O ATOM 601 H GLY A 68 87.792 62.011 2.080 1.00 0.00 H ATOM 602 N HIS A 69 87.345 65.188 2.342 1.00 30.28 N ATOM 603 CA HIS A 69 87.217 66.458 3.045 1.00 30.13 C ATOM 604 C HIS A 69 87.832 66.331 4.432 1.00 24.19 C ATOM 605 O HIS A 69 87.553 65.368 5.154 1.00 25.72 O ATOM 606 CB HIS A 69 85.751 66.881 3.152 1.00 26.07 C ATOM 607 CG HIS A 69 85.155 67.327 1.853 1.00 29.17 C ATOM 608 ND1 HIS A 69 85.031 66.492 0.763 1.00 33.40 N ATOM 609 CD2 HIS A 69 84.652 68.524 1.469 1.00 29.31 C ATOM 610 CE1 HIS A 69 84.477 67.155 -0.236 1.00 29.98 C ATOM 611 NE2 HIS A 69 84.236 68.390 0.166 1.00 31.20 N ATOM 612 H HIS A 69 86.695 64.414 2.587 1.00 0.00 H ATOM 613 N LYS A 70 88.662 67.302 4.800 1.00 20.44 N ATOM 614 CA LYS A 70 89.371 67.258 6.070 1.00 23.11 C ATOM 615 C LYS A 70 88.551 67.916 7.170 1.00 26.40 C ATOM 616 O LYS A 70 87.870 68.921 6.945 1.00 23.91 O ATOM 617 CB LYS A 70 90.730 67.950 5.960 1.00 27.17 C ATOM 618 CG LYS A 70 91.691 67.289 4.989 1.00 34.48 C ATOM 619 CD LYS A 70 93.132 67.525 5.409 1.00 45.53 C ATOM 620 CE LYS A 70 94.114 67.075 4.342 1.00 48.71 C ATOM 621 NZ LYS A 70 95.495 67.550 4.636 1.00 65.62 N ATOM 622 HZ1 LYS A 70 95.502 68.589 4.674 1.00 0.00 H ATOM 623 HZ2 LYS A 70 95.805 67.167 5.552 1.00 0.00 H ATOM 624 HZ3 LYS A 70 96.139 67.225 3.887 1.00 0.00 H ATOM 625 H LYS A 70 88.808 68.113 4.165 1.00 0.00 H ATOM 626 N ALA A 71 88.624 67.336 8.363 1.00 19.80 N ATOM 627 CA ALA A 71 88.020 67.910 9.552 1.00 20.78 C ATOM 628 C ALA A 71 88.965 67.690 10.722 1.00 21.77 C ATOM 629 O ALA A 71 89.804 66.786 10.707 1.00 18.74 O ATOM 630 CB ALA A 71 86.645 67.295 9.851 1.00 23.52 C ATOM 631 H ALA A 71 89.135 66.434 8.449 1.00 0.00 H ATOM 632 N ILE A 72 88.831 68.543 11.734 1.00 16.03 N ATOM 633 CA ILE A 72 89.596 68.422 12.970 1.00 20.44 C ATOM 634 C ILE A 72 88.624 68.695 14.108 1.00 21.89 C ATOM 635 O ILE A 72 88.193 69.839 14.298 1.00 26.56 O ATOM 636 CB ILE A 72 90.791 69.387 13.034 1.00 18.62 C ATOM 637 CG1 ILE A 72 91.721 69.163 11.837 1.00 20.45 C ATOM 638 CG2 ILE A 72 91.552 69.193 14.343 1.00 22.37 C ATOM 639 CD1 ILE A 72 92.854 70.171 11.729 1.00 26.34 C ATOM 640 H ILE A 72 88.154 69.327 11.640 1.00 0.00 H ATOM 641 N GLY A 73 88.278 67.663 14.859 1.00 22.68 N ATOM 642 CA GLY A 73 87.308 67.812 15.916 1.00 22.53 C ATOM 643 C GLY A 73 87.331 66.660 16.889 1.00 23.16 C ATOM 644 O GLY A 73 88.293 65.892 16.955 1.00 22.98 O ATOM 645 H GLY A 73 88.710 66.733 14.685 1.00 0.00 H ATOM 646 N THR A 74 86.247 66.549 17.650 1.00 21.31 N ATOM 647 CA THR A 74 86.143 65.536 18.689 1.00 19.03 C ATOM 648 C THR A 74 85.705 64.205 18.094 1.00 20.46 C ATOM 649 O THR A 74 84.800 64.149 17.257 1.00 15.93 O ATOM 650 CB THR A 74 85.151 65.980 19.765 1.00 21.08 C ATOM 651 OG1 THR A 74 85.599 67.208 20.352 1.00 22.39 O ATOM 652 CG2 THR A 74 85.015 64.924 20.858 1.00 22.87 C ATOM 653 HG1 THR A 74 86.490 67.071 20.761 1.00 0.00 H ATOM 654 H THR A 74 85.453 67.203 17.499 1.00 0.00 H ATOM 655 N VAL A 75 86.351 63.132 18.542 1.00 18.64 N ATOM 656 CA VAL A 75 86.033 61.773 18.116 1.00 23.50 C ATOM 657 C VAL A 75 85.881 60.923 19.369 1.00 22.39 C ATOM 658 O VAL A 75 86.787 60.885 20.211 1.00 19.49 O ATOM 659 CB VAL A 75 87.113 61.189 17.188 1.00 23.47 C ATOM 660 CG1 VAL A 75 86.800 59.739 16.831 1.00 23.98 C ATOM 661 CG2 VAL A 75 87.236 62.031 15.924 1.00 25.07 C ATOM 662 H VAL A 75 87.120 63.268 19.229 1.00 0.00 H ATOM 663 N LEU A 76 84.740 60.255 19.495 1.00 14.48 N ATOM 664 CA LEU A 76 84.470 59.361 20.610 1.00 16.34 C ATOM 665 C LEU A 76 84.676 57.919 20.163 1.00 19.38 C ATOM 666 O LEU A 76 84.252 57.532 19.070 1.00 18.64 O ATOM 667 CB LEU A 76 83.043 59.557 21.128 1.00 17.13 C ATOM 668 CG LEU A 76 82.618 61.008 21.386 1.00 16.78 C ATOM 669 CD1 LEU A 76 81.170 61.071 21.849 1.00 16.25 C ATOM 670 CD2 LEU A 76 83.530 61.682 22.402 1.00 22.14 C ATOM 671 H LEU A 76 84.009 60.376 18.766 1.00 0.00 H ATOM 672 N VAL A 77 85.335 57.130 21.008 1.00 15.30 N ATOM 673 CA VAL A 77 85.666 55.743 20.700 1.00 17.54 C ATOM 674 C VAL A 77 85.049 54.864 21.778 1.00 19.76 C ATOM 675 O VAL A 77 85.294 55.074 22.972 1.00 18.12 O ATOM 676 CB VAL A 77 87.186 55.526 20.610 1.00 23.42 C ATOM 677 CG1 VAL A 77 87.512 54.059 20.354 1.00 21.85 C ATOM 678 CG2 VAL A 77 87.776 56.394 19.511 1.00 21.09 C ATOM 679 H VAL A 77 85.627 57.519 21.927 1.00 0.00 H ATOM 680 N GLY A 78 84.249 53.887 21.358 1.00 20.08 N ATOM 681 CA GLY A 78 83.588 52.996 22.281 1.00 22.46 C ATOM 682 C GLY A 78 82.696 51.995 21.574 1.00 13.68 C ATOM 683 O GLY A 78 82.682 51.902 20.342 1.00 17.80 O ATOM 684 H GLY A 78 84.096 53.762 20.337 1.00 0.00 H ATOM 685 N PRO A 79 81.920 51.229 22.348 1.00 19.31 N ATOM 686 CA PRO A 79 81.115 50.132 21.778 1.00 16.61 C ATOM 687 C PRO A 79 79.864 50.621 21.053 1.00 17.37 C ATOM 688 O PRO A 79 78.730 50.273 21.398 1.00 13.93 O ATOM 689 CB PRO A 79 80.791 49.288 23.018 1.00 20.97 C ATOM 690 CG PRO A 79 80.757 50.266 24.135 1.00 27.93 C ATOM 691 CD PRO A 79 81.811 51.290 23.817 1.00 22.56 C ATOM 692 N THR A 80 80.070 51.441 20.026 1.00 19.22 N ATOM 693 CA THR A 80 78.986 51.794 19.126 1.00 15.60 C ATOM 694 C THR A 80 78.739 50.657 18.136 1.00 17.34 C ATOM 695 O THR A 80 79.676 49.959 17.736 1.00 17.74 O ATOM 696 CB THR A 80 79.308 53.078 18.363 1.00 16.75 C ATOM 697 OG1 THR A 80 78.264 53.350 17.420 1.00 18.54 O ATOM 698 CG2 THR A 80 80.638 52.963 17.613 1.00 18.98 C ATOM 699 HG1 THR A 80 78.192 52.596 16.782 1.00 0.00 H ATOM 700 H THR A 80 81.019 51.834 19.865 1.00 0.00 H ATOM 701 N PRO A 81 77.485 50.438 17.731 1.00 16.51 N ATOM 702 CA PRO A 81 77.219 49.354 16.770 1.00 16.52 C ATOM 703 C PRO A 81 77.894 49.552 15.423 1.00 19.56 C ATOM 704 O PRO A 81 78.235 48.562 14.765 1.00 17.32 O ATOM 705 CB PRO A 81 75.687 49.363 16.643 1.00 21.95 C ATOM 706 CG PRO A 81 75.265 50.714 17.103 1.00 19.90 C ATOM 707 CD PRO A 81 76.246 51.108 18.160 1.00 13.58 C ATOM 708 N VAL A 82 78.088 50.798 14.984 1.00 18.01 N ATOM 709 CA VAL A 82 78.753 51.085 13.718 1.00 15.16 C ATOM 710 C VAL A 82 79.451 52.433 13.837 1.00 15.30 C ATOM 711 O VAL A 82 79.081 53.278 14.655 1.00 17.61 O ATOM 712 CB VAL A 82 77.773 51.097 12.515 1.00 21.71 C ATOM 713 CG1 VAL A 82 77.031 49.765 12.396 1.00 29.83 C ATOM 714 CG2 VAL A 82 76.783 52.246 12.628 1.00 21.59 C ATOM 715 H VAL A 82 77.753 51.592 15.566 1.00 0.00 H ATOM 716 N ASN A 83 80.474 52.629 13.008 1.00 15.54 N ATOM 717 CA ASN A 83 81.131 53.926 12.921 1.00 15.51 C ATOM 718 C ASN A 83 80.164 54.955 12.351 1.00 15.29 C ATOM 719 O ASN A 83 79.609 54.761 11.265 1.00 15.30 O ATOM 720 CB ASN A 83 82.373 53.842 12.035 1.00 14.96 C ATOM 721 CG ASN A 83 83.410 52.875 12.567 1.00 20.17 C ATOM 722 OD1 ASN A 83 83.596 52.746 13.777 1.00 20.27 O ATOM 723 ND2 ASN A 83 84.098 52.193 11.659 1.00 20.70 N ATOM 724 HD22 ASN A 83 83.906 52.335 10.647 1.00 0.00 H ATOM 725 HD21 ASN A 83 84.829 51.517 11.960 1.00 0.00 H ATOM 726 H ASN A 83 80.809 51.844 12.414 1.00 0.00 H ATOM 727 N ILE A 84 79.970 56.054 13.075 1.00 12.16 N ATOM 728 CA ILE A 84 79.055 57.110 12.660 1.00 11.75 C ATOM 729 C ILE A 84 79.791 58.440 12.648 1.00 17.38 C ATOM 730 O ILE A 84 80.554 58.750 13.569 1.00 14.01 O ATOM 731 CB ILE A 84 77.818 57.191 13.578 1.00 13.56 C ATOM 732 CG1 ILE A 84 78.247 57.354 15.040 1.00 18.22 C ATOM 733 CG2 ILE A 84 76.952 55.957 13.382 1.00 15.60 C ATOM 734 CD1 ILE A 84 77.101 57.570 16.006 1.00 16.21 C ATOM 735 H ILE A 84 80.490 56.164 13.969 1.00 0.00 H ATOM 736 N ILE A 85 79.558 59.222 11.597 1.00 16.13 N ATOM 737 CA ILE A 85 80.025 60.599 11.513 1.00 15.62 C ATOM 738 C ILE A 85 78.858 61.499 11.889 1.00 13.61 C ATOM 739 O ILE A 85 77.827 61.509 11.205 1.00 14.12 O ATOM 740 CB ILE A 85 80.546 60.933 10.106 1.00 15.93 C ATOM 741 CG1 ILE A 85 81.594 59.911 9.657 1.00 12.65 C ATOM 742 CG2 ILE A 85 81.118 62.343 10.070 1.00 16.78 C ATOM 743 CD1 ILE A 85 82.803 59.801 10.574 1.00 16.02 C ATOM 744 H ILE A 85 79.017 58.832 10.799 1.00 0.00 H ATOM 745 N GLY A 86 79.016 62.250 12.981 1.00 12.09 N ATOM 746 CA GLY A 86 77.963 63.090 13.502 1.00 13.39 C ATOM 747 C GLY A 86 78.096 64.541 13.058 1.00 13.42 C ATOM 748 O GLY A 86 79.017 64.933 12.348 1.00 11.11 O ATOM 749 H GLY A 86 79.931 62.230 13.475 1.00 0.00 H ATOM 750 N ARG A 87 77.141 65.351 13.522 1.00 14.43 N ATOM 751 CA ARG A 87 77.035 66.722 13.035 1.00 14.54 C ATOM 752 C ARG A 87 78.272 67.547 13.368 1.00 11.68 C ATOM 753 O ARG A 87 78.580 68.508 12.654 1.00 16.74 O ATOM 754 CB ARG A 87 75.783 67.387 13.609 1.00 14.49 C ATOM 755 CG ARG A 87 74.484 66.820 13.052 1.00 11.27 C ATOM 756 CD ARG A 87 73.268 67.609 13.518 1.00 11.23 C ATOM 757 NE ARG A 87 73.113 67.572 14.971 1.00 13.87 N ATOM 758 CZ ARG A 87 73.506 68.527 15.811 1.00 19.29 C ATOM 759 NH1 ARG A 87 74.082 69.635 15.366 1.00 12.14 N ATOM 760 NH2 ARG A 87 73.315 68.370 17.114 1.00 15.47 N ATOM 761 HE ARG A 87 72.659 66.731 15.382 1.00 0.00 H ATOM 762 HH12 ARG A 87 74.383 70.370 16.037 1.00 0.00 H ATOM 763 HH11 ARG A 87 74.233 69.769 14.346 1.00 0.00 H ATOM 764 HH22 ARG A 87 73.619 69.111 17.777 1.00 0.00 H ATOM 765 HH21 ARG A 87 72.861 67.506 17.473 1.00 0.00 H ATOM 766 H ARG A 87 76.469 65.002 14.235 1.00 0.00 H ATOM 767 N ASN A 88 78.995 67.199 14.436 1.00 14.55 N ATOM 768 CA ASN A 88 80.168 67.989 14.801 1.00 17.04 C ATOM 769 C ASN A 88 81.204 67.996 13.684 1.00 13.82 C ATOM 770 O ASN A 88 81.970 68.958 13.555 1.00 16.83 O ATOM 771 CB ASN A 88 80.784 67.464 16.100 1.00 18.92 C ATOM 772 CG ASN A 88 81.450 66.110 15.929 1.00 11.58 C ATOM 773 OD1 ASN A 88 80.839 65.162 15.439 1.00 14.70 O ATOM 774 ND2 ASN A 88 82.712 66.019 16.328 1.00 15.02 N ATOM 775 HD22 ASN A 88 83.189 66.848 16.737 1.00 0.00 H ATOM 776 HD21 ASN A 88 83.224 65.119 16.232 1.00 0.00 H ATOM 777 H ASN A 88 78.724 66.371 15.004 1.00 0.00 H ATOM 778 N LEU A 89 81.242 66.942 12.867 1.00 15.60 N ATOM 779 CA LEU A 89 82.139 66.888 11.719 1.00 16.20 C ATOM 780 C LEU A 89 81.429 67.127 10.395 1.00 14.19 C ATOM 781 O LEU A 89 82.039 67.674 9.470 1.00 12.06 O ATOM 782 CB LEU A 89 82.855 65.535 11.665 1.00 17.16 C ATOM 783 CG LEU A 89 83.656 65.133 12.908 1.00 18.00 C ATOM 784 CD1 LEU A 89 84.421 63.847 12.641 1.00 20.85 C ATOM 785 CD2 LEU A 89 84.607 66.241 13.347 1.00 20.44 C ATOM 786 H LEU A 89 80.613 66.135 13.055 1.00 0.00 H ATOM 787 N LEU A 90 80.158 66.732 10.277 1.00 16.43 N ATOM 788 CA LEU A 90 79.411 67.018 9.057 1.00 11.55 C ATOM 789 C LEU A 90 79.387 68.515 8.772 1.00 15.51 C ATOM 790 O LEU A 90 79.467 68.935 7.613 1.00 13.43 O ATOM 791 CB LEU A 90 77.987 66.473 9.170 1.00 16.95 C ATOM 792 CG LEU A 90 77.829 64.957 9.292 1.00 16.87 C ATOM 793 CD1 LEU A 90 76.372 64.607 9.533 1.00 16.48 C ATOM 794 CD2 LEU A 90 78.346 64.243 8.055 1.00 16.69 C ATOM 795 H LEU A 90 79.700 66.219 11.057 1.00 0.00 H ATOM 796 N THR A 91 79.273 69.336 9.817 1.00 15.64 N ATOM 797 CA THR A 91 79.312 70.781 9.618 1.00 17.10 C ATOM 798 C THR A 91 80.668 71.221 9.081 1.00 20.81 C ATOM 799 O THR A 91 80.747 72.134 8.250 1.00 16.67 O ATOM 800 CB THR A 91 78.996 71.508 10.926 1.00 19.36 C ATOM 801 OG1 THR A 91 79.877 71.053 11.962 1.00 21.05 O ATOM 802 CG2 THR A 91 77.550 71.267 11.344 1.00 18.48 C ATOM 803 HG1 THR A 91 79.666 71.528 12.805 1.00 0.00 H ATOM 804 H THR A 91 79.156 68.946 10.774 1.00 0.00 H ATOM 805 N GLN A 92 81.747 70.575 9.532 1.00 17.49 N ATOM 806 CA GLN A 92 83.082 70.998 9.121 1.00 19.31 C ATOM 807 C GLN A 92 83.306 70.772 7.631 1.00 23.16 C ATOM 808 O GLN A 92 83.986 71.568 6.975 1.00 23.08 O ATOM 809 CB GLN A 92 84.147 70.267 9.938 1.00 16.97 C ATOM 810 CG GLN A 92 84.173 70.663 11.405 1.00 14.11 C ATOM 811 CD GLN A 92 85.505 70.367 12.072 1.00 17.83 C ATOM 812 OE1 GLN A 92 86.489 70.046 11.407 1.00 20.44 O ATOM 813 NE2 GLN A 92 85.539 70.476 13.394 1.00 16.00 N ATOM 814 HE22 GLN A 92 84.682 70.750 13.915 1.00 0.00 H ATOM 815 HE21 GLN A 92 86.423 70.287 13.909 1.00 0.00 H ATOM 816 H GLN A 92 81.635 69.768 10.178 1.00 0.00 H ATOM 817 N ILE A 93 82.744 69.699 7.075 1.00 17.56 N ATOM 818 CA ILE A 93 82.950 69.389 5.664 1.00 19.86 C ATOM 819 C ILE A 93 81.869 70.057 4.822 1.00 19.00 C ATOM 820 O ILE A 93 81.785 69.830 3.610 1.00 18.38 O ATOM 821 CB ILE A 93 82.987 67.868 5.423 1.00 18.00 C ATOM 822 CG1 ILE A 93 81.661 67.212 5.825 1.00 23.84 C ATOM 823 CG2 ILE A 93 84.151 67.250 6.196 1.00 21.59 C ATOM 824 CD1 ILE A 93 81.560 65.748 5.431 1.00 19.72 C ATOM 825 H ILE A 93 82.150 69.073 7.655 1.00 0.00 H ATOM 826 N GLY A 94 81.043 70.888 5.451 1.00 19.54 N ATOM 827 CA GLY A 94 80.031 71.636 4.723 1.00 18.95 C ATOM 828 C GLY A 94 78.845 70.808 4.280 1.00 29.20 C ATOM 829 O GLY A 94 78.290 71.055 3.202 1.00 21.85 O ATOM 830 H GLY A 94 81.122 71.005 6.481 1.00 0.00 H ATOM 831 N CYS A 95 78.431 69.840 5.091 1.00 22.83 N ATOM 832 CA CYS A 95 77.355 68.931 4.725 1.00 16.73 C ATOM 833 C CYS A 95 76.006 69.520 5.118 1.00 19.12 C ATOM 834 O CYS A 95 75.837 70.011 6.238 1.00 20.94 O ATOM 835 CB CYS A 95 77.562 67.573 5.398 1.00 21.37 C ATOM 836 SG CYS A 95 76.434 66.285 4.836 1.00 27.04 S ATOM 837 H CYS A 95 78.891 69.728 6.017 1.00 0.00 H ATOM 838 N THR A 96 75.053 69.476 4.188 1.00 18.79 N ATOM 839 CA THR A 96 73.693 69.933 4.430 1.00 18.64 C ATOM 840 C THR A 96 72.704 68.898 3.913 1.00 13.35 C ATOM 841 O THR A 96 73.022 68.075 3.052 1.00 16.23 O ATOM 842 CB THR A 96 73.400 71.277 3.743 1.00 20.01 C ATOM 843 OG1 THR A 96 73.480 71.114 2.320 1.00 19.77 O ATOM 844 CG2 THR A 96 74.381 72.352 4.196 1.00 26.60 C ATOM 845 HG1 THR A 96 74.389 70.809 2.075 1.00 0.00 H ATOM 846 H THR A 96 75.291 69.099 3.249 1.00 0.00 H ATOM 847 N LEU A 97 71.491 68.956 4.454 1.00 17.60 N ATOM 848 CA LEU A 97 70.369 68.197 3.925 1.00 18.18 C ATOM 849 C LEU A 97 69.581 69.071 2.961 1.00 20.72 C ATOM 850 O LEU A 97 69.415 70.273 3.190 1.00 19.84 O ATOM 851 CB LEU A 97 69.458 67.713 5.053 1.00 13.58 C ATOM 852 CG LEU A 97 69.982 66.576 5.928 1.00 9.17 C ATOM 853 CD1 LEU A 97 69.142 66.454 7.185 1.00 16.80 C ATOM 854 CD2 LEU A 97 69.974 65.267 5.156 1.00 19.41 C ATOM 855 H LEU A 97 71.339 69.565 5.284 1.00 0.00 H ATOM 856 N ASN A 98 69.095 68.464 1.880 1.00 19.46 N ATOM 857 CA ASN A 98 68.379 69.198 0.845 1.00 24.70 C ATOM 858 C ASN A 98 67.247 68.345 0.297 1.00 24.94 C ATOM 859 O ASN A 98 67.438 67.159 0.016 1.00 26.50 O ATOM 860 CB ASN A 98 69.324 69.606 -0.292 1.00 22.23 C ATOM 861 CG ASN A 98 70.442 70.517 0.177 1.00 25.62 C ATOM 862 OD1 ASN A 98 70.313 71.740 0.149 1.00 27.82 O ATOM 863 ND2 ASN A 98 71.547 69.923 0.613 1.00 22.81 N ATOM 864 HD22 ASN A 98 71.612 68.885 0.619 1.00 0.00 H ATOM 865 HD21 ASN A 98 72.347 70.496 0.949 1.00 0.00 H ATOM 866 H ASN A 98 69.230 67.439 1.772 1.00 0.00 H ATOM 867 N PHE A 99 66.075 68.953 0.143 1.00 29.08 N ATOM 868 CA PHE A 99 64.941 68.294 -0.496 1.00 39.71 C ATOM 869 C PHE A 99 63.996 69.331 -1.091 1.00 41.77 C ATOM 870 O PHE A 99 62.869 69.017 -1.472 1.00 45.78 O ATOM 871 CB PHE A 99 64.192 67.401 0.497 1.00 45.68 C ATOM 872 CG PHE A 99 63.710 68.116 1.723 1.00 49.10 C ATOM 873 CD1 PHE A 99 64.555 68.302 2.801 1.00 41.02 C ATOM 874 CD2 PHE A 99 62.408 68.577 1.809 1.00 50.21 C ATOM 875 CE1 PHE A 99 64.118 68.950 3.938 1.00 41.58 C ATOM 876 CE2 PHE A 99 61.963 69.224 2.944 1.00 47.75 C ATOM 877 CZ PHE A 99 62.821 69.412 4.010 1.00 48.76 C ATOM 878 OXT PHE A 99 64.342 70.507 -1.203 1.00 42.92 O ATOM 879 H PHE A 99 65.963 69.928 0.488 1.00 0.00 H TER 880 PHE A 99 ATOM 881 N PRO B 1 63.841 72.826 0.705 1.00 50.41 N ATOM 882 CA PRO B 1 64.785 73.736 1.364 1.00 38.55 C ATOM 883 C PRO B 1 66.149 73.104 1.622 1.00 43.44 C ATOM 884 O PRO B 1 66.365 71.932 1.311 1.00 28.33 O ATOM 885 CB PRO B 1 64.084 74.066 2.686 1.00 46.26 C ATOM 886 CG PRO B 1 63.201 72.898 2.945 1.00 40.94 C ATOM 887 CD PRO B 1 62.728 72.451 1.594 1.00 37.95 C ATOM 888 HN2 PRO B 1 64.348 71.964 0.419 1.00 0.00 H ATOM 889 HN1 PRO B 1 63.454 73.295 -0.139 1.00 0.00 H ATOM 890 N GLN B 2 67.063 73.891 2.185 1.00 34.38 N ATOM 891 CA GLN B 2 68.381 73.419 2.584 1.00 29.09 C ATOM 892 C GLN B 2 68.509 73.555 4.093 1.00 38.63 C ATOM 893 O GLN B 2 68.292 74.639 4.644 1.00 30.94 O ATOM 894 CB GLN B 2 69.492 74.207 1.884 1.00 31.52 C ATOM 895 CG GLN B 2 70.894 73.858 2.364 1.00 30.74 C ATOM 896 CD GLN B 2 71.975 74.577 1.583 1.00 37.08 C ATOM 897 OE1 GLN B 2 72.262 74.233 0.436 1.00 35.59 O ATOM 898 NE2 GLN B 2 72.579 75.584 2.201 1.00 34.31 N ATOM 899 HE22 GLN B 2 72.304 75.839 3.171 1.00 0.00 H ATOM 900 HE21 GLN B 2 73.328 76.118 1.716 1.00 0.00 H ATOM 901 H GLN B 2 66.824 74.890 2.347 1.00 0.00 H ATOM 902 N ILE B 3 68.860 72.457 4.756 1.00 21.18 N ATOM 903 CA ILE B 3 68.980 72.413 6.207 1.00 25.14 C ATOM 904 C ILE B 3 70.451 72.233 6.551 1.00 28.87 C ATOM 905 O ILE B 3 71.053 71.205 6.218 1.00 15.35 O ATOM 906 CB ILE B 3 68.129 71.285 6.812 1.00 26.87 C ATOM 907 CG1 ILE B 3 66.651 71.500 6.470 1.00 28.28 C ATOM 908 CG2 ILE B 3 68.327 71.217 8.324 1.00 22.41 C ATOM 909 CD1 ILE B 3 65.737 70.371 6.906 1.00 34.47 C ATOM 910 H ILE B 3 69.058 71.591 4.215 1.00 0.00 H ATOM 911 N THR B 4 71.031 73.233 7.209 1.00 21.80 N ATOM 912 CA THR B 4 72.368 73.084 7.754 1.00 16.97 C ATOM 913 C THR B 4 72.306 72.270 9.044 1.00 16.59 C ATOM 914 O THR B 4 71.236 72.030 9.608 1.00 21.22 O ATOM 915 CB THR B 4 73.010 74.449 8.004 1.00 27.88 C ATOM 916 OG1 THR B 4 72.216 75.195 8.935 1.00 29.11 O ATOM 917 CG2 THR B 4 73.135 75.230 6.701 1.00 21.16 C ATOM 918 HG1 THR B 4 72.636 76.077 9.093 1.00 0.00 H ATOM 919 H THR B 4 70.521 74.131 7.334 1.00 0.00 H ATOM 920 N LEU B 5 73.476 71.842 9.516 1.00 16.87 N ATOM 921 CA LEU B 5 73.552 70.898 10.625 1.00 19.84 C ATOM 922 C LEU B 5 74.230 71.492 11.854 1.00 17.16 C ATOM 923 O LEU B 5 74.765 70.747 12.681 1.00 14.19 O ATOM 924 CB LEU B 5 74.270 69.624 10.176 1.00 18.08 C ATOM 925 CG LEU B 5 73.602 68.922 8.989 1.00 16.80 C ATOM 926 CD1 LEU B 5 74.473 67.792 8.461 1.00 19.98 C ATOM 927 CD2 LEU B 5 72.222 68.395 9.370 1.00 17.50 C ATOM 928 H LEU B 5 74.356 72.189 9.083 1.00 0.00 H ATOM 929 N TRP B 6 74.213 72.820 12.000 1.00 15.13 N ATOM 930 CA TRP B 6 74.677 73.422 13.245 1.00 17.68 C ATOM 931 C TRP B 6 73.877 72.900 14.431 1.00 18.60 C ATOM 932 O TRP B 6 74.429 72.669 15.513 1.00 15.57 O ATOM 933 CB TRP B 6 74.570 74.944 13.175 1.00 18.05 C ATOM 934 CG TRP B 6 75.468 75.584 12.167 1.00 19.62 C ATOM 935 CD1 TRP B 6 75.090 76.253 11.042 1.00 15.44 C ATOM 936 CD2 TRP B 6 76.900 75.628 12.199 1.00 16.74 C ATOM 937 NE1 TRP B 6 76.196 76.712 10.370 1.00 16.85 N ATOM 938 CE2 TRP B 6 77.320 76.341 11.060 1.00 16.41 C ATOM 939 CE3 TRP B 6 77.866 75.133 13.080 1.00 23.14 C ATOM 940 CZ2 TRP B 6 78.664 76.568 10.776 1.00 22.02 C ATOM 941 CZ3 TRP B 6 79.200 75.362 12.797 1.00 23.25 C ATOM 942 CH2 TRP B 6 79.586 76.074 11.655 1.00 16.14 C ATOM 943 HE1 TRP B 6 76.183 77.253 9.482 1.00 0.00 H ATOM 944 H TRP B 6 73.869 73.424 11.226 1.00 0.00 H ATOM 945 N LYS B 7 72.575 72.715 14.246 1.00 16.87 N ATOM 946 CA LYS B 7 71.697 72.161 15.264 1.00 11.80 C ATOM 947 C LYS B 7 71.014 70.919 14.709 1.00 16.63 C ATOM 948 O LYS B 7 71.129 70.593 13.525 1.00 15.17 O ATOM 949 CB LYS B 7 70.656 73.195 15.717 1.00 23.41 C ATOM 950 CG LYS B 7 69.648 73.575 14.643 1.00 21.41 C ATOM 951 CD LYS B 7 68.863 74.822 15.033 1.00 28.02 C ATOM 952 CE LYS B 7 67.816 75.178 13.989 1.00 34.85 C ATOM 953 NZ LYS B 7 66.659 74.243 14.005 1.00 57.35 N ATOM 954 HZ1 LYS B 7 66.992 73.277 13.810 1.00 0.00 H ATOM 955 HZ2 LYS B 7 66.204 74.272 14.940 1.00 0.00 H ATOM 956 HZ3 LYS B 7 65.974 74.528 13.276 1.00 0.00 H ATOM 957 H LYS B 7 72.163 72.979 13.328 1.00 0.00 H ATOM 958 N ARG B 8 70.297 70.223 15.581 1.00 11.78 N ATOM 959 CA ARG B 8 69.629 69.001 15.170 1.00 18.24 C ATOM 960 C ARG B 8 68.628 69.306 14.057 1.00 17.45 C ATOM 961 O ARG B 8 67.891 70.297 14.140 1.00 15.98 O ATOM 962 CB ARG B 8 68.915 68.357 16.357 1.00 14.12 C ATOM 963 CG ARG B 8 69.850 67.895 17.458 1.00 16.90 C ATOM 964 CD ARG B 8 69.099 67.127 18.533 1.00 21.23 C ATOM 965 NE ARG B 8 70.007 66.471 19.469 1.00 25.68 N ATOM 966 CZ ARG B 8 69.634 65.554 20.357 1.00 35.39 C ATOM 967 NH1 ARG B 8 68.366 65.172 20.436 1.00 30.52 N ATOM 968 NH2 ARG B 8 70.533 65.014 21.167 1.00 22.03 N ATOM 969 HE ARG B 8 71.012 66.738 19.439 1.00 0.00 H ATOM 970 HH12 ARG B 8 68.082 64.454 21.133 1.00 0.00 H ATOM 971 HH11 ARG B 8 67.656 65.590 19.801 1.00 0.00 H ATOM 972 HH22 ARG B 8 70.243 64.297 21.862 1.00 0.00 H ATOM 973 HH21 ARG B 8 71.529 65.307 21.108 1.00 0.00 H ATOM 974 H ARG B 8 70.213 70.554 16.563 1.00 0.00 H ATOM 975 N PRO B 9 68.574 68.485 12.998 1.00 13.68 N ATOM 976 CA PRO B 9 67.626 68.748 11.893 1.00 13.40 C ATOM 977 C PRO B 9 66.202 68.322 12.233 1.00 14.14 C ATOM 978 O PRO B 9 65.649 67.351 11.701 1.00 15.28 O ATOM 979 CB PRO B 9 68.230 67.932 10.745 1.00 12.90 C ATOM 980 CG PRO B 9 68.866 66.772 11.423 1.00 14.43 C ATOM 981 CD PRO B 9 69.419 67.309 12.722 1.00 15.58 C ATOM 982 N LEU B 10 65.581 69.073 13.139 1.00 12.74 N ATOM 983 CA LEU B 10 64.220 68.798 13.580 1.00 17.49 C ATOM 984 C LEU B 10 63.222 69.478 12.651 1.00 23.10 C ATOM 985 O LEU B 10 63.384 70.652 12.305 1.00 17.67 O ATOM 986 CB LEU B 10 64.014 69.281 15.016 1.00 23.58 C ATOM 987 CG LEU B 10 64.713 68.470 16.107 1.00 22.89 C ATOM 988 CD1 LEU B 10 64.688 69.226 17.424 1.00 29.05 C ATOM 989 CD2 LEU B 10 64.055 67.106 16.260 1.00 23.00 C ATOM 990 H LEU B 10 66.085 69.886 13.547 1.00 0.00 H ATOM 991 N VAL B 11 62.189 68.735 12.254 1.00 18.47 N ATOM 992 CA VAL B 11 61.128 69.255 11.404 1.00 24.14 C ATOM 993 C VAL B 11 59.791 68.781 11.957 1.00 25.55 C ATOM 994 O VAL B 11 59.711 67.798 12.696 1.00 18.88 O ATOM 995 CB VAL B 11 61.283 68.810 9.931 1.00 23.03 C ATOM 996 CG1 VAL B 11 62.606 69.300 9.363 1.00 24.29 C ATOM 997 CG2 VAL B 11 61.176 67.293 9.808 1.00 20.00 C ATOM 998 H VAL B 11 62.139 67.744 12.564 1.00 0.00 H ATOM 999 N THR B 12 58.733 69.494 11.583 1.00 19.66 N ATOM 1000 CA THR B 12 57.387 69.094 11.962 1.00 20.15 C ATOM 1001 C THR B 12 56.873 68.031 11.001 1.00 20.37 C ATOM 1002 O THR B 12 57.036 68.142 9.783 1.00 20.26 O ATOM 1003 CB THR B 12 56.440 70.296 11.957 1.00 23.21 C ATOM 1004 OG1 THR B 12 56.974 71.334 12.785 1.00 17.02 O ATOM 1005 CG2 THR B 12 55.063 69.897 12.481 1.00 23.83 C ATOM 1006 HG1 THR B 12 57.074 70.998 13.711 1.00 0.00 H ATOM 1007 H THR B 12 58.870 70.351 11.010 1.00 0.00 H ATOM 1008 N ILE B 13 56.251 66.994 11.559 1.00 18.13 N ATOM 1009 CA ILE B 13 55.653 65.930 10.767 1.00 17.26 C ATOM 1010 C ILE B 13 54.193 65.789 11.171 1.00 23.26 C ATOM 1011 O ILE B 13 53.775 66.218 12.249 1.00 21.65 O ATOM 1012 CB ILE B 13 56.388 64.581 10.930 1.00 19.06 C ATOM 1013 CG1 ILE B 13 56.253 64.058 12.367 1.00 23.85 C ATOM 1014 CG2 ILE B 13 57.853 64.737 10.544 1.00 18.50 C ATOM 1015 CD1 ILE B 13 56.830 62.673 12.579 1.00 24.54 C ATOM 1016 H ILE B 13 56.191 66.943 12.596 1.00 0.00 H ATOM 1017 N LYS B 14 53.419 65.173 10.283 1.00 17.96 N ATOM 1018 CA LYS B 14 52.015 64.865 10.525 1.00 22.01 C ATOM 1019 C LYS B 14 51.819 63.368 10.348 1.00 23.70 C ATOM 1020 O LYS B 14 52.052 62.836 9.258 1.00 22.33 O ATOM 1021 CB LYS B 14 51.109 65.644 9.570 1.00 27.68 C ATOM 1022 CG LYS B 14 49.614 65.446 9.811 1.00 28.48 C ATOM 1023 CD LYS B 14 48.813 65.674 8.537 1.00 37.48 C ATOM 1024 CE LYS B 14 47.689 66.668 8.749 1.00 49.17 C ATOM 1025 NZ LYS B 14 46.889 66.861 7.507 1.00 53.13 N ATOM 1026 HZ1 LYS B 14 47.507 67.218 6.750 1.00 0.00 H ATOM 1027 HZ2 LYS B 14 46.475 65.952 7.218 1.00 0.00 H ATOM 1028 HZ3 LYS B 14 46.129 67.547 7.689 1.00 0.00 H ATOM 1029 H LYS B 14 53.836 64.897 9.371 1.00 0.00 H ATOM 1030 N ILE B 15 51.402 62.692 11.415 1.00 25.70 N ATOM 1031 CA ILE B 15 51.137 61.258 11.379 1.00 27.40 C ATOM 1032 C ILE B 15 49.921 60.966 12.242 1.00 36.45 C ATOM 1033 O ILE B 15 49.754 61.551 13.317 1.00 33.72 O ATOM 1034 CB ILE B 15 52.344 60.425 11.858 1.00 30.06 C ATOM 1035 CG1 ILE B 15 51.942 58.947 11.966 1.00 34.72 C ATOM 1036 CG2 ILE B 15 52.863 60.962 13.188 1.00 29.55 C ATOM 1037 CD1 ILE B 15 53.069 58.015 12.297 1.00 39.03 C ATOM 1038 H ILE B 15 51.260 63.205 12.308 1.00 0.00 H ATOM 1039 N GLY B 16 49.089 60.040 11.777 1.00 39.84 N ATOM 1040 CA GLY B 16 47.898 59.665 12.528 1.00 52.27 C ATOM 1041 C GLY B 16 47.077 60.853 12.971 1.00 40.47 C ATOM 1042 O GLY B 16 46.498 60.839 14.065 1.00 42.48 O ATOM 1043 H GLY B 16 49.290 59.578 10.867 1.00 0.00 H ATOM 1044 N GLY B 17 47.017 61.892 12.142 1.00 33.21 N ATOM 1045 CA GLY B 17 46.265 63.081 12.484 1.00 32.43 C ATOM 1046 C GLY B 17 46.886 63.941 13.561 1.00 34.73 C ATOM 1047 O GLY B 17 46.193 64.781 14.140 1.00 33.51 O ATOM 1048 H GLY B 17 47.519 61.849 11.232 1.00 0.00 H ATOM 1049 N GLN B 18 48.176 63.766 13.847 1.00 32.61 N ATOM 1050 CA GLN B 18 48.844 64.510 14.904 1.00 25.95 C ATOM 1051 C GLN B 18 50.133 65.127 14.382 1.00 25.62 C ATOM 1052 O GLN B 18 50.807 64.559 13.519 1.00 23.70 O ATOM 1053 CB GLN B 18 49.159 63.613 16.105 1.00 34.95 C ATOM 1054 CG GLN B 18 47.933 63.032 16.781 1.00 41.44 C ATOM 1055 CD GLN B 18 47.939 63.265 18.278 1.00 54.04 C ATOM 1056 OE1 GLN B 18 47.223 64.128 18.786 1.00 55.35 O ATOM 1057 NE2 GLN B 18 48.752 62.496 18.993 1.00 49.63 N ATOM 1058 HE22 GLN B 18 49.339 61.779 18.520 1.00 0.00 H ATOM 1059 HE21 GLN B 18 48.802 62.610 20.025 1.00 0.00 H ATOM 1060 H GLN B 18 48.724 63.074 13.296 1.00 0.00 H ATOM 1061 N LEU B 19 50.469 66.296 14.922 1.00 22.36 N ATOM 1062 CA LEU B 19 51.700 66.994 14.581 1.00 24.63 C ATOM 1063 C LEU B 19 52.778 66.669 15.606 1.00 26.02 C ATOM 1064 O LEU B 19 52.509 66.610 16.809 1.00 24.78 O ATOM 1065 CB LEU B 19 51.480 68.507 14.519 1.00 26.55 C ATOM 1066 CG LEU B 19 50.419 69.028 13.545 1.00 30.21 C ATOM 1067 CD1 LEU B 19 50.600 70.524 13.335 1.00 29.00 C ATOM 1068 CD2 LEU B 19 50.456 68.294 12.211 1.00 30.32 C ATOM 1069 H LEU B 19 49.826 66.728 15.616 1.00 0.00 H ATOM 1070 N LYS B 20 53.999 66.457 15.120 1.00 20.76 N ATOM 1071 CA LYS B 20 55.111 66.069 15.974 1.00 20.35 C ATOM 1072 C LYS B 20 56.405 66.608 15.384 1.00 19.24 C ATOM 1073 O LYS B 20 56.475 66.953 14.202 1.00 20.64 O ATOM 1074 CB LYS B 20 55.189 64.545 16.127 1.00 17.51 C ATOM 1075 CG LYS B 20 53.993 63.936 16.839 1.00 25.90 C ATOM 1076 CD LYS B 20 54.091 62.423 16.900 1.00 38.94 C ATOM 1077 CE LYS B 20 53.003 61.832 17.784 1.00 36.57 C ATOM 1078 NZ LYS B 20 53.067 62.350 19.178 1.00 46.78 N ATOM 1079 HZ1 LYS B 20 53.989 62.108 19.594 1.00 0.00 H ATOM 1080 HZ2 LYS B 20 52.950 63.383 19.168 1.00 0.00 H ATOM 1081 HZ3 LYS B 20 52.307 61.919 19.742 1.00 0.00 H ATOM 1082 H LYS B 20 54.163 66.572 14.099 1.00 0.00 H ATOM 1083 N GLU B 21 57.432 66.681 16.227 1.00 16.99 N ATOM 1084 CA GLU B 21 58.770 67.078 15.809 1.00 20.13 C ATOM 1085 C GLU B 21 59.647 65.838 15.694 1.00 13.91 C ATOM 1086 O GLU B 21 59.627 64.971 16.572 1.00 15.19 O ATOM 1087 CB GLU B 21 59.389 68.064 16.802 1.00 22.67 C ATOM 1088 CG GLU B 21 58.621 69.370 16.967 1.00 28.02 C ATOM 1089 CD GLU B 21 58.610 70.210 15.704 1.00 29.98 C ATOM 1090 OE1 GLU B 21 57.576 70.221 15.003 1.00 29.79 O ATOM 1091 OE2 GLU B 21 59.638 70.855 15.407 1.00 33.80 O ATOM 1092 H GLU B 21 57.273 66.445 17.227 1.00 0.00 H ATOM 1093 N ALA B 22 60.421 65.760 14.611 1.00 15.25 N ATOM 1094 CA ALA B 22 61.202 64.565 14.326 1.00 11.11 C ATOM 1095 C ALA B 22 62.506 64.941 13.639 1.00 14.23 C ATOM 1096 O ALA B 22 62.602 65.976 12.975 1.00 14.81 O ATOM 1097 CB ALA B 22 60.418 63.582 13.449 1.00 16.67 C ATOM 1098 H ALA B 22 60.468 66.568 13.958 1.00 0.00 H ATOM 1099 N LEU B 23 63.507 64.080 13.806 1.00 16.74 N ATOM 1100 CA LEU B 23 64.797 64.258 13.155 1.00 18.63 C ATOM 1101 C LEU B 23 64.772 63.696 11.742 1.00 21.04 C ATOM 1102 O LEU B 23 64.239 62.610 11.499 1.00 21.40 O ATOM 1103 CB LEU B 23 65.903 63.548 13.938 1.00 16.83 C ATOM 1104 CG LEU B 23 66.333 64.054 15.309 1.00 24.20 C ATOM 1105 CD1 LEU B 23 67.375 63.104 15.881 1.00 24.50 C ATOM 1106 CD2 LEU B 23 66.892 65.459 15.218 1.00 18.98 C ATOM 1107 H LEU B 23 63.363 63.254 14.421 1.00 0.00 H ATOM 1108 N LEU B 24 65.369 64.436 10.810 1.00 17.21 N ATOM 1109 CA LEU B 24 65.733 63.882 9.509 1.00 14.92 C ATOM 1110 C LEU B 24 67.070 63.177 9.695 1.00 17.54 C ATOM 1111 O LEU B 24 68.115 63.821 9.803 1.00 12.99 O ATOM 1112 CB LEU B 24 65.813 64.979 8.453 1.00 19.88 C ATOM 1113 CG LEU B 24 64.551 65.824 8.264 1.00 21.30 C ATOM 1114 CD1 LEU B 24 64.780 66.898 7.212 1.00 31.38 C ATOM 1115 CD2 LEU B 24 63.361 64.954 7.886 1.00 18.90 C ATOM 1116 H LEU B 24 65.581 65.433 11.014 1.00 0.00 H ATOM 1117 N ASP B 25 67.042 61.847 9.740 1.00 14.28 N ATOM 1118 CA ASP B 25 68.172 61.050 10.213 1.00 11.60 C ATOM 1119 C ASP B 25 68.660 60.130 9.096 1.00 18.28 C ATOM 1120 O ASP B 25 68.084 59.063 8.863 1.00 13.44 O ATOM 1121 CB ASP B 25 67.774 60.249 11.450 1.00 13.69 C ATOM 1122 CG ASP B 25 68.957 59.579 12.113 1.00 14.23 C ATOM 1123 OD1 ASP B 25 70.067 59.632 11.543 1.00 11.82 O ATOM 1124 OD2 ASP B 25 68.783 59.010 13.211 1.00 15.05 O ATOM 1125 H ASP B 25 66.181 61.355 9.426 1.00 0.00 H ATOM 1126 N THR B 26 69.740 60.535 8.423 1.00 13.91 N ATOM 1127 CA THR B 26 70.351 59.693 7.402 1.00 14.95 C ATOM 1128 C THR B 26 70.999 58.445 7.989 1.00 13.54 C ATOM 1129 O THR B 26 71.317 57.516 7.239 1.00 16.28 O ATOM 1130 CB THR B 26 71.399 60.486 6.615 1.00 13.71 C ATOM 1131 OG1 THR B 26 72.450 60.907 7.494 1.00 17.00 O ATOM 1132 CG2 THR B 26 70.770 61.707 5.961 1.00 14.83 C ATOM 1133 HG1 THR B 26 72.877 60.112 7.900 1.00 0.00 H ATOM 1134 H THR B 26 70.152 61.467 8.631 1.00 0.00 H ATOM 1135 N GLY B 27 71.212 58.402 9.301 1.00 13.71 N ATOM 1136 CA GLY B 27 71.788 57.239 9.938 1.00 16.76 C ATOM 1137 C GLY B 27 70.805 56.154 10.313 1.00 17.10 C ATOM 1138 O GLY B 27 71.212 55.122 10.857 1.00 13.10 O ATOM 1139 H GLY B 27 70.958 59.225 9.883 1.00 0.00 H ATOM 1140 N ALA B 28 69.518 56.350 10.043 1.00 14.06 N ATOM 1141 CA ALA B 28 68.481 55.379 10.370 1.00 16.72 C ATOM 1142 C ALA B 28 67.937 54.779 9.082 1.00 13.11 C ATOM 1143 O ALA B 28 67.473 55.511 8.202 1.00 14.31 O ATOM 1144 CB ALA B 28 67.356 56.035 11.171 1.00 14.11 C ATOM 1145 H ALA B 28 69.238 57.237 9.577 1.00 0.00 H ATOM 1146 N ASP B 29 67.996 53.448 8.972 1.00 18.80 N ATOM 1147 CA ASP B 29 67.369 52.777 7.838 1.00 11.56 C ATOM 1148 C ASP B 29 65.868 53.025 7.822 1.00 19.85 C ATOM 1149 O ASP B 29 65.285 53.296 6.766 1.00 18.25 O ATOM 1150 CB ASP B 29 67.640 51.272 7.888 1.00 15.70 C ATOM 1151 CG ASP B 29 69.111 50.933 7.787 1.00 23.88 C ATOM 1152 OD1 ASP B 29 69.888 51.761 7.266 1.00 20.66 O ATOM 1153 OD2 ASP B 29 69.486 49.825 8.222 1.00 25.24 O ATOM 1154 H ASP B 29 68.490 52.889 9.697 1.00 0.00 H ATOM 1155 N ASP B 30 65.230 52.940 8.985 1.00 17.75 N ATOM 1156 CA ASP B 30 63.784 53.000 9.113 1.00 17.88 C ATOM 1157 C ASP B 30 63.389 54.127 10.059 1.00 14.65 C ATOM 1158 O ASP B 30 64.228 54.745 10.718 1.00 14.98 O ATOM 1159 CB ASP B 30 63.233 51.661 9.618 1.00 19.38 C ATOM 1160 CG ASP B 30 63.702 50.489 8.780 1.00 22.19 C ATOM 1161 OD1 ASP B 30 63.559 50.549 7.542 1.00 25.75 O ATOM 1162 OD2 ASP B 30 64.227 49.516 9.358 1.00 28.12 O ATOM 1163 H ASP B 30 65.796 52.824 9.850 1.00 0.00 H ATOM 1164 N THR B 31 62.083 54.372 10.125 1.00 15.54 N ATOM 1165 CA THR B 31 61.513 55.468 10.900 1.00 14.98 C ATOM 1166 C THR B 31 61.036 54.952 12.252 1.00 19.46 C ATOM 1167 O THR B 31 60.290 53.969 12.320 1.00 19.35 O ATOM 1168 CB THR B 31 60.357 56.110 10.128 1.00 16.99 C ATOM 1169 OG1 THR B 31 60.862 56.713 8.929 1.00 18.42 O ATOM 1170 CG2 THR B 31 59.645 57.170 10.954 1.00 14.07 C ATOM 1171 HG1 THR B 31 61.291 56.019 8.367 1.00 0.00 H ATOM 1172 H THR B 31 61.436 53.751 9.598 1.00 0.00 H ATOM 1173 N VAL B 32 61.462 55.622 13.320 1.00 17.42 N ATOM 1174 CA VAL B 32 61.125 55.243 14.688 1.00 15.29 C ATOM 1175 C VAL B 32 60.455 56.438 15.351 1.00 20.45 C ATOM 1176 O VAL B 32 61.038 57.529 15.406 1.00 16.44 O ATOM 1177 CB VAL B 32 62.365 54.809 15.484 1.00 17.58 C ATOM 1178 CG1 VAL B 32 61.952 54.160 16.801 1.00 18.48 C ATOM 1179 CG2 VAL B 32 63.233 53.865 14.662 1.00 16.08 C ATOM 1180 H VAL B 32 62.065 56.457 13.172 1.00 0.00 H ATOM 1181 N LEU B 33 59.242 56.236 15.861 1.00 17.30 N ATOM 1182 CA LEU B 33 58.475 57.308 16.475 1.00 12.54 C ATOM 1183 C LEU B 33 58.152 56.982 17.926 1.00 19.41 C ATOM 1184 O LEU B 33 58.018 55.815 18.308 1.00 13.13 O ATOM 1185 CB LEU B 33 57.172 57.567 15.715 1.00 17.11 C ATOM 1186 CG LEU B 33 57.310 58.018 14.262 1.00 21.81 C ATOM 1187 CD1 LEU B 33 55.939 58.264 13.690 1.00 27.27 C ATOM 1188 CD2 LEU B 33 58.168 59.268 14.136 1.00 21.72 C ATOM 1189 H LEU B 33 58.830 55.282 15.819 1.00 0.00 H ATOM 1190 N GLU B 34 58.031 58.031 18.735 1.00 19.29 N ATOM 1191 CA GLU B 34 57.702 57.858 20.140 1.00 20.89 C ATOM 1192 C GLU B 34 56.364 57.137 20.292 1.00 21.43 C ATOM 1193 O GLU B 34 55.540 57.092 19.375 1.00 17.55 O ATOM 1194 CB GLU B 34 57.660 59.212 20.847 1.00 20.30 C ATOM 1195 CG GLU B 34 59.033 59.813 21.091 1.00 22.09 C ATOM 1196 CD GLU B 34 58.969 61.154 21.793 1.00 31.23 C ATOM 1197 OE1 GLU B 34 58.992 62.194 21.101 1.00 29.40 O ATOM 1198 OE2 GLU B 34 58.889 61.167 23.040 1.00 31.08 O ATOM 1199 H GLU B 34 58.174 58.989 18.356 1.00 0.00 H ATOM 1200 N GLU B 35 56.159 56.564 21.478 1.00 21.59 N ATOM 1201 CA GLU B 35 54.958 55.784 21.748 1.00 19.86 C ATOM 1202 C GLU B 35 53.704 56.567 21.382 1.00 23.04 C ATOM 1203 O GLU B 35 53.511 57.703 21.822 1.00 22.30 O ATOM 1204 CB GLU B 35 54.920 55.390 23.226 1.00 24.87 C ATOM 1205 CG GLU B 35 53.681 54.608 23.637 1.00 33.19 C ATOM 1206 CD GLU B 35 53.548 53.297 22.893 1.00 38.91 C ATOM 1207 OE1 GLU B 35 54.589 52.664 22.617 1.00 27.61 O ATOM 1208 OE2 GLU B 35 52.405 52.901 22.580 1.00 47.40 O ATOM 1209 H GLU B 35 56.872 56.676 22.227 1.00 0.00 H ATOM 1210 N MET B 36 52.854 55.947 20.568 1.00 24.56 N ATOM 1211 CA MET B 36 51.569 56.519 20.199 1.00 35.66 C ATOM 1212 C MET B 36 50.626 55.377 19.852 1.00 33.96 C ATOM 1213 O MET B 36 51.051 54.336 19.346 1.00 29.84 O ATOM 1214 CB MET B 36 51.702 57.493 19.023 1.00 31.73 C ATOM 1215 CG MET B 36 52.190 56.849 17.738 1.00 27.57 C ATOM 1216 SD MET B 36 52.583 58.042 16.438 1.00 31.27 S ATOM 1217 CE MET B 36 51.075 59.012 16.369 1.00 39.47 C ATOM 1218 H MET B 36 53.118 55.019 20.181 1.00 0.00 H ATOM 1219 N ASN B 37 49.337 55.579 20.134 1.00 35.89 N ATOM 1220 CA ASN B 37 48.336 54.521 19.987 1.00 44.21 C ATOM 1221 C ASN B 37 47.717 54.603 18.593 1.00 38.62 C ATOM 1222 O ASN B 37 46.612 55.109 18.393 1.00 41.76 O ATOM 1223 CB ASN B 37 47.278 54.634 21.078 1.00 47.58 C ATOM 1224 CG ASN B 37 47.860 54.510 22.472 1.00 67.40 C ATOM 1225 OD1 ASN B 37 47.880 55.475 23.237 1.00 72.10 O ATOM 1226 ND2 ASN B 37 48.332 53.316 22.813 1.00 70.35 N ATOM 1227 HD22 ASN B 37 48.295 52.529 22.134 1.00 0.00 H ATOM 1228 HD21 ASN B 37 48.739 53.168 23.759 1.00 0.00 H ATOM 1229 H ASN B 37 49.035 56.516 20.468 1.00 0.00 H ATOM 1230 N LEU B 38 48.452 54.076 17.609 1.00 29.91 N ATOM 1231 CA LEU B 38 47.943 54.019 16.248 1.00 32.10 C ATOM 1232 C LEU B 38 46.994 52.832 16.078 1.00 37.67 C ATOM 1233 O LEU B 38 47.173 51.790 16.714 1.00 31.87 O ATOM 1234 CB LEU B 38 49.088 53.889 15.248 1.00 28.01 C ATOM 1235 CG LEU B 38 49.960 55.117 14.979 1.00 34.26 C ATOM 1236 CD1 LEU B 38 51.084 54.755 14.021 1.00 28.37 C ATOM 1237 CD2 LEU B 38 49.139 56.272 14.422 1.00 44.68 C ATOM 1238 H LEU B 38 49.399 53.702 17.819 1.00 0.00 H ATOM 1239 N PRO B 39 45.981 52.961 15.225 1.00 31.55 N ATOM 1240 CA PRO B 39 45.110 51.819 14.935 1.00 40.21 C ATOM 1241 C PRO B 39 45.746 50.863 13.937 1.00 30.93 C ATOM 1242 O PRO B 39 46.695 51.196 13.225 1.00 31.14 O ATOM 1243 CB PRO B 39 43.855 52.472 14.346 1.00 37.15 C ATOM 1244 CG PRO B 39 44.357 53.720 13.711 1.00 41.73 C ATOM 1245 CD PRO B 39 45.518 54.189 14.553 1.00 40.89 C ATOM 1246 N GLY B 40 45.202 49.650 13.901 1.00 34.93 N ATOM 1247 CA GLY B 40 45.623 48.645 12.945 1.00 34.23 C ATOM 1248 C GLY B 40 46.553 47.615 13.558 1.00 33.94 C ATOM 1249 O GLY B 40 46.964 47.697 14.719 1.00 35.32 O ATOM 1250 H GLY B 40 44.451 49.415 14.580 1.00 0.00 H ATOM 1251 N ARG B 41 46.887 46.625 12.735 1.00 33.43 N ATOM 1252 CA ARG B 41 47.749 45.535 13.159 1.00 35.53 C ATOM 1253 C ARG B 41 49.217 45.949 13.083 1.00 34.88 C ATOM 1254 O ARG B 41 49.597 46.879 12.367 1.00 27.28 O ATOM 1255 CB ARG B 41 47.511 44.297 12.295 1.00 28.07 C ATOM 1256 H ARG B 41 46.521 46.631 11.761 1.00 0.00 H ATOM 1257 N TRP B 42 50.047 45.232 13.836 1.00 25.85 N ATOM 1258 CA TRP B 42 51.471 45.524 13.906 1.00 25.52 C ATOM 1259 C TRP B 42 52.223 44.240 14.224 1.00 30.95 C ATOM 1260 O TRP B 42 51.631 43.225 14.601 1.00 21.47 O ATOM 1261 CB TRP B 42 51.762 46.596 14.959 1.00 21.10 C ATOM 1262 CG TRP B 42 51.174 46.273 16.297 1.00 30.83 C ATOM 1263 CD1 TRP B 42 49.929 46.605 16.747 1.00 36.94 C ATOM 1264 CD2 TRP B 42 51.804 45.545 17.358 1.00 29.58 C ATOM 1265 NE1 TRP B 42 49.746 46.131 18.023 1.00 29.77 N ATOM 1266 CE2 TRP B 42 50.881 45.475 18.420 1.00 28.86 C ATOM 1267 CE3 TRP B 42 53.058 44.946 17.512 1.00 28.75 C ATOM 1268 CZ2 TRP B 42 51.175 44.836 19.622 1.00 31.62 C ATOM 1269 CZ3 TRP B 42 53.346 44.310 18.706 1.00 34.35 C ATOM 1270 CH2 TRP B 42 52.409 44.260 19.745 1.00 35.11 C ATOM 1271 HE1 TRP B 42 48.886 46.251 18.595 1.00 0.00 H ATOM 1272 H TRP B 42 49.667 44.439 14.391 1.00 0.00 H ATOM 1273 N LYS B 43 53.545 44.298 14.071 1.00 26.05 N ATOM 1274 CA LYS B 43 54.411 43.165 14.350 1.00 27.45 C ATOM 1275 C LYS B 43 55.500 43.580 15.331 1.00 22.44 C ATOM 1276 O LYS B 43 56.087 44.657 15.176 1.00 21.95 O ATOM 1277 CB LYS B 43 55.052 42.638 13.060 1.00 23.18 C ATOM 1278 H LYS B 43 53.973 45.186 13.740 1.00 0.00 H ATOM 1279 N PRO B 44 55.798 42.763 16.343 1.00 19.47 N ATOM 1280 CA PRO B 44 56.882 43.118 17.267 1.00 21.26 C ATOM 1281 C PRO B 44 58.234 43.118 16.572 1.00 17.89 C ATOM 1282 O PRO B 44 58.483 42.353 15.637 1.00 20.76 O ATOM 1283 CB PRO B 44 56.815 42.027 18.345 1.00 26.37 C ATOM 1284 CG PRO B 44 55.484 41.384 18.182 1.00 20.12 C ATOM 1285 CD PRO B 44 55.146 41.502 16.734 1.00 21.97 C ATOM 1286 N LYS B 45 59.117 43.990 17.053 1.00 21.74 N ATOM 1287 CA LYS B 45 60.452 44.124 16.490 1.00 16.20 C ATOM 1288 C LYS B 45 61.364 44.709 17.557 1.00 18.34 C ATOM 1289 O LYS B 45 60.912 45.435 18.447 1.00 16.03 O ATOM 1290 CB LYS B 45 60.441 45.016 15.241 1.00 17.21 C ATOM 1291 CG LYS B 45 61.737 45.025 14.439 1.00 21.29 C ATOM 1292 CD LYS B 45 61.602 45.903 13.201 1.00 21.70 C ATOM 1293 CE LYS B 45 62.896 45.968 12.400 1.00 32.49 C ATOM 1294 NZ LYS B 45 63.271 44.648 11.823 1.00 48.84 N ATOM 1295 HZ1 LYS B 45 63.402 43.960 12.592 1.00 0.00 H ATOM 1296 HZ2 LYS B 45 62.515 44.321 11.188 1.00 0.00 H ATOM 1297 HZ3 LYS B 45 64.157 44.744 11.288 1.00 0.00 H ATOM 1298 H LYS B 45 58.845 44.593 17.855 1.00 0.00 H ATOM 1299 N MET B 46 62.648 44.375 17.467 1.00 19.90 N ATOM 1300 CA MET B 46 63.671 44.950 18.328 1.00 18.06 C ATOM 1301 C MET B 46 64.740 45.594 17.458 1.00 21.68 C ATOM 1302 O MET B 46 65.162 45.022 16.448 1.00 17.75 O ATOM 1303 CB MET B 46 64.288 43.890 19.253 1.00 17.09 C ATOM 1304 CG MET B 46 63.461 43.632 20.509 1.00 22.63 C ATOM 1305 SD MET B 46 64.093 42.312 21.563 1.00 44.37 S ATOM 1306 CE MET B 46 65.430 43.149 22.419 1.00 29.90 C ATOM 1307 H MET B 46 62.933 43.675 16.753 1.00 0.00 H ATOM 1308 N ILE B 47 65.159 46.795 17.844 1.00 15.72 N ATOM 1309 CA ILE B 47 66.092 47.592 17.058 1.00 15.87 C ATOM 1310 C ILE B 47 67.210 48.066 17.972 1.00 17.52 C ATOM 1311 O ILE B 47 66.969 48.416 19.133 1.00 12.90 O ATOM 1312 CB ILE B 47 65.385 48.782 16.378 1.00 19.86 C ATOM 1313 CG1 ILE B 47 64.801 49.741 17.422 1.00 16.71 C ATOM 1314 CG2 ILE B 47 64.281 48.262 15.469 1.00 24.71 C ATOM 1315 CD1 ILE B 47 64.281 51.036 16.837 1.00 18.65 C ATOM 1316 H ILE B 47 64.807 47.181 18.743 1.00 0.00 H ATOM 1317 N GLY B 48 68.427 48.079 17.449 1.00 14.29 N ATOM 1318 CA GLY B 48 69.616 48.305 18.255 1.00 16.31 C ATOM 1319 C GLY B 48 70.361 49.559 17.841 1.00 17.47 C ATOM 1320 O GLY B 48 70.440 49.883 16.655 1.00 17.26 O ATOM 1321 H GLY B 48 68.536 47.922 16.427 1.00 0.00 H ATOM 1322 N GLY B 49 70.905 50.253 18.832 1.00 16.59 N ATOM 1323 CA GLY B 49 71.764 51.395 18.600 1.00 17.29 C ATOM 1324 C GLY B 49 72.732 51.551 19.752 1.00 15.65 C ATOM 1325 O GLY B 49 72.972 50.593 20.492 1.00 13.90 O ATOM 1326 H GLY B 49 70.707 49.966 19.812 1.00 0.00 H ATOM 1327 N ILE B 50 73.291 52.749 19.926 1.00 17.47 N ATOM 1328 CA ILE B 50 74.149 52.999 21.076 1.00 17.17 C ATOM 1329 C ILE B 50 73.356 52.749 22.348 1.00 22.05 C ATOM 1330 O ILE B 50 72.248 53.271 22.524 1.00 18.04 O ATOM 1331 CB ILE B 50 74.711 54.428 21.020 1.00 17.94 C ATOM 1332 CG1 ILE B 50 75.823 54.506 19.973 1.00 19.40 C ATOM 1333 CG2 ILE B 50 75.238 54.874 22.392 1.00 16.99 C ATOM 1334 CD1 ILE B 50 76.224 55.920 19.604 1.00 17.77 C ATOM 1335 H ILE B 50 73.114 53.508 19.238 1.00 0.00 H ATOM 1336 N GLY B 51 73.917 51.934 23.239 1.00 19.12 N ATOM 1337 CA GLY B 51 73.282 51.587 24.487 1.00 18.58 C ATOM 1338 C GLY B 51 72.551 50.260 24.474 1.00 25.88 C ATOM 1339 O GLY B 51 72.328 49.683 25.545 1.00 27.33 O ATOM 1340 H GLY B 51 74.852 51.531 23.026 1.00 0.00 H ATOM 1341 N GLY B 52 72.173 49.764 23.299 1.00 22.23 N ATOM 1342 CA GLY B 52 71.494 48.487 23.201 1.00 23.30 C ATOM 1343 C GLY B 52 70.236 48.537 22.360 1.00 19.35 C ATOM 1344 O GLY B 52 70.129 49.346 21.433 1.00 16.26 O ATOM 1345 H GLY B 52 72.369 50.304 22.432 1.00 0.00 H ATOM 1346 N PHE B 53 69.271 47.682 22.684 1.00 22.36 N ATOM 1347 CA PHE B 53 68.063 47.523 21.891 1.00 16.29 C ATOM 1348 C PHE B 53 66.839 47.998 22.662 1.00 19.03 C ATOM 1349 O PHE B 53 66.820 48.005 23.896 1.00 16.17 O ATOM 1350 CB PHE B 53 67.864 46.059 21.484 1.00 18.01 C ATOM 1351 CG PHE B 53 68.841 45.578 20.451 1.00 16.74 C ATOM 1352 CD1 PHE B 53 70.167 45.364 20.782 1.00 27.21 C ATOM 1353 CD2 PHE B 53 68.432 45.334 19.151 1.00 17.11 C ATOM 1354 CE1 PHE B 53 71.067 44.920 19.835 1.00 12.25 C ATOM 1355 CE2 PHE B 53 69.329 44.892 18.199 1.00 21.40 C ATOM 1356 CZ PHE B 53 70.648 44.684 18.543 1.00 17.16 C ATOM 1357 H PHE B 53 69.385 47.103 23.540 1.00 0.00 H ATOM 1358 N ILE B 54 65.813 48.392 21.912 1.00 16.07 N ATOM 1359 CA ILE B 54 64.495 48.671 22.463 1.00 14.14 C ATOM 1360 C ILE B 54 63.470 47.887 21.657 1.00 16.86 C ATOM 1361 O ILE B 54 63.682 47.575 20.481 1.00 15.15 O ATOM 1362 CB ILE B 54 64.155 50.179 22.457 1.00 18.60 C ATOM 1363 CG1 ILE B 54 64.189 50.739 21.032 1.00 22.67 C ATOM 1364 CG2 ILE B 54 65.122 50.938 23.355 1.00 24.62 C ATOM 1365 CD1 ILE B 54 63.564 52.110 20.905 1.00 24.58 C ATOM 1366 H ILE B 54 65.959 48.505 20.889 1.00 0.00 H ATOM 1367 N LYS B 55 62.354 47.562 22.303 1.00 14.93 N ATOM 1368 CA LYS B 55 61.254 46.870 21.646 1.00 17.29 C ATOM 1369 C LYS B 55 60.311 47.894 21.030 1.00 15.57 C ATOM 1370 O LYS B 55 59.947 48.881 21.679 1.00 17.62 O ATOM 1371 CB LYS B 55 60.503 45.982 22.641 1.00 20.19 C ATOM 1372 H LYS B 55 62.264 47.810 23.309 1.00 0.00 H ATOM 1373 N VAL B 56 59.923 47.658 19.777 1.00 18.16 N ATOM 1374 CA VAL B 56 59.066 48.568 19.033 1.00 14.59 C ATOM 1375 C VAL B 56 57.956 47.765 18.365 1.00 18.90 C ATOM 1376 O VAL B 56 58.000 46.537 18.291 1.00 15.26 O ATOM 1377 CB VAL B 56 59.850 49.381 17.980 1.00 16.11 C ATOM 1378 CG1 VAL B 56 60.886 50.268 18.654 1.00 23.33 C ATOM 1379 CG2 VAL B 56 60.516 48.457 16.973 1.00 17.32 C ATOM 1380 H VAL B 56 60.247 46.786 19.311 1.00 0.00 H ATOM 1381 N ARG B 57 56.953 48.485 17.874 1.00 20.20 N ATOM 1382 CA ARG B 57 55.843 47.901 17.131 1.00 19.41 C ATOM 1383 C ARG B 57 55.914 48.406 15.697 1.00 18.96 C ATOM 1384 O ARG B 57 55.927 49.619 15.463 1.00 20.80 O ATOM 1385 CB ARG B 57 54.503 48.260 17.774 1.00 23.71 C ATOM 1386 CG ARG B 57 54.438 47.937 19.259 1.00 20.65 C ATOM 1387 CD ARG B 57 53.021 48.017 19.808 1.00 28.97 C ATOM 1388 NE ARG B 57 52.410 49.329 19.609 1.00 24.48 N ATOM 1389 CZ ARG B 57 52.717 50.414 20.314 1.00 29.60 C ATOM 1390 NH1 ARG B 57 52.105 51.563 20.063 1.00 31.99 N ATOM 1391 NH2 ARG B 57 53.643 50.355 21.262 1.00 38.46 N ATOM 1392 HE ARG B 57 51.687 49.421 18.867 1.00 0.00 H ATOM 1393 HH12 ARG B 57 52.345 52.411 20.614 1.00 0.00 H ATOM 1394 HH11 ARG B 57 51.385 51.616 19.315 1.00 0.00 H ATOM 1395 HH22 ARG B 57 53.880 51.206 21.811 1.00 0.00 H ATOM 1396 HH21 ARG B 57 54.132 49.458 21.456 1.00 0.00 H ATOM 1397 H ARG B 57 56.960 49.514 18.027 1.00 0.00 H ATOM 1398 N GLN B 58 55.969 47.479 14.746 1.00 16.69 N ATOM 1399 CA GLN B 58 56.137 47.817 13.340 1.00 17.51 C ATOM 1400 C GLN B 58 54.772 47.953 12.678 1.00 26.38 C ATOM 1401 O GLN B 58 54.019 46.977 12.587 1.00 19.95 O ATOM 1402 CB GLN B 58 56.973 46.755 12.627 1.00 18.46 C ATOM 1403 CG GLN B 58 57.119 46.968 11.124 1.00 23.90 C ATOM 1404 CD GLN B 58 57.849 45.828 10.445 1.00 29.19 C ATOM 1405 OE1 GLN B 58 58.640 45.123 11.070 1.00 28.40 O ATOM 1406 NE2 GLN B 58 57.577 45.633 9.159 1.00 31.37 N ATOM 1407 HE22 GLN B 58 56.901 46.254 8.670 1.00 0.00 H ATOM 1408 HE21 GLN B 58 58.040 44.859 8.641 1.00 0.00 H ATOM 1409 H GLN B 58 55.889 46.478 15.016 1.00 0.00 H ATOM 1410 N TYR B 59 54.464 49.162 12.216 1.00 17.78 N ATOM 1411 CA TYR B 59 53.272 49.436 11.427 1.00 23.69 C ATOM 1412 C TYR B 59 53.679 49.673 9.979 1.00 27.23 C ATOM 1413 O TYR B 59 54.677 50.348 9.709 1.00 25.42 O ATOM 1414 CB TYR B 59 52.520 50.658 11.962 1.00 21.00 C ATOM 1415 CG TYR B 59 51.911 50.469 13.333 1.00 21.69 C ATOM 1416 CD1 TYR B 59 52.635 50.753 14.482 1.00 21.76 C ATOM 1417 CD2 TYR B 59 50.604 50.019 13.477 1.00 31.14 C ATOM 1418 CE1 TYR B 59 52.080 50.587 15.736 1.00 25.09 C ATOM 1419 CE2 TYR B 59 50.039 49.851 14.727 1.00 28.26 C ATOM 1420 CZ TYR B 59 50.782 50.136 15.853 1.00 30.30 C ATOM 1421 OH TYR B 59 50.226 49.969 17.100 1.00 30.02 O ATOM 1422 HH TYR B 59 50.890 50.217 17.792 1.00 0.00 H ATOM 1423 H TYR B 59 55.107 49.951 12.429 1.00 0.00 H ATOM 1424 N ASP B 60 52.908 49.116 9.052 1.00 23.77 N ATOM 1425 CA ASP B 60 53.220 49.187 7.633 1.00 22.86 C ATOM 1426 C ASP B 60 52.259 50.133 6.923 1.00 24.42 C ATOM 1427 O ASP B 60 51.098 50.280 7.316 1.00 26.36 O ATOM 1428 CB ASP B 60 53.151 47.799 6.989 1.00 36.06 C ATOM 1429 CG ASP B 60 54.165 46.834 7.574 1.00 44.76 C ATOM 1430 OD1 ASP B 60 55.323 47.247 7.795 1.00 37.88 O ATOM 1431 OD2 ASP B 60 53.801 45.665 7.818 1.00 43.28 O ATOM 1432 H ASP B 60 52.050 48.611 9.352 1.00 0.00 H ATOM 1433 N GLN B 61 52.764 50.777 5.873 1.00 30.72 N ATOM 1434 CA GLN B 61 51.968 51.668 5.031 1.00 30.48 C ATOM 1435 C GLN B 61 51.282 52.752 5.860 1.00 31.22 C ATOM 1436 O GLN B 61 50.066 52.946 5.797 1.00 30.49 O ATOM 1437 CB GLN B 61 50.946 50.872 4.218 1.00 33.78 C ATOM 1438 CG GLN B 61 51.569 49.942 3.191 1.00 25.67 C ATOM 1439 CD GLN B 61 52.478 50.674 2.221 1.00 40.85 C ATOM 1440 OE1 GLN B 61 53.694 50.715 2.403 1.00 53.99 O ATOM 1441 NE2 GLN B 61 51.889 51.261 1.186 1.00 43.24 N ATOM 1442 HE22 GLN B 61 50.857 51.200 1.072 1.00 0.00 H ATOM 1443 HE21 GLN B 61 52.460 51.781 0.489 1.00 0.00 H ATOM 1444 H GLN B 61 53.769 50.640 5.642 1.00 0.00 H ATOM 1445 N ILE B 62 52.085 53.473 6.638 1.00 26.15 N ATOM 1446 CA ILE B 62 51.613 54.605 7.428 1.00 30.46 C ATOM 1447 C ILE B 62 51.917 55.881 6.658 1.00 22.82 C ATOM 1448 O ILE B 62 53.032 56.063 6.156 1.00 27.44 O ATOM 1449 CB ILE B 62 52.273 54.633 8.817 1.00 26.47 C ATOM 1450 CG1 ILE B 62 51.982 53.335 9.581 1.00 25.20 C ATOM 1451 CG2 ILE B 62 51.801 55.846 9.616 1.00 22.12 C ATOM 1452 CD1 ILE B 62 50.505 53.073 9.842 1.00 33.10 C ATOM 1453 H ILE B 62 53.092 53.219 6.685 1.00 0.00 H ATOM 1454 N LEU B 63 50.929 56.767 6.571 1.00 23.46 N ATOM 1455 CA LEU B 63 51.079 58.028 5.860 1.00 27.51 C ATOM 1456 C LEU B 63 51.689 59.072 6.786 1.00 23.27 C ATOM 1457 O LEU B 63 51.180 59.309 7.886 1.00 24.32 O ATOM 1458 CB LEU B 63 49.727 58.513 5.336 1.00 29.13 C ATOM 1459 H LEU B 63 50.019 56.552 7.026 1.00 0.00 H ATOM 1460 N ILE B 64 52.781 59.688 6.340 1.00 26.28 N ATOM 1461 CA ILE B 64 53.448 60.748 7.084 1.00 28.48 C ATOM 1462 C ILE B 64 53.687 61.914 6.140 1.00 34.95 C ATOM 1463 O ILE B 64 54.038 61.719 4.971 1.00 36.20 O ATOM 1464 CB ILE B 64 54.779 60.274 7.707 1.00 28.54 C ATOM 1465 CG1 ILE B 64 54.520 59.112 8.673 1.00 40.52 C ATOM 1466 CG2 ILE B 64 55.486 61.442 8.404 1.00 30.66 C ATOM 1467 CD1 ILE B 64 55.707 58.728 9.548 1.00 42.34 C ATOM 1468 H ILE B 64 53.175 59.400 5.421 1.00 0.00 H ATOM 1469 N GLU B 65 53.500 63.128 6.650 1.00 21.65 N ATOM 1470 CA GLU B 65 53.758 64.349 5.897 1.00 22.93 C ATOM 1471 C GLU B 65 54.903 65.090 6.571 1.00 23.43 C ATOM 1472 O GLU B 65 54.821 65.417 7.760 1.00 20.57 O ATOM 1473 CB GLU B 65 52.510 65.229 5.824 1.00 21.90 C ATOM 1474 CG GLU B 65 52.585 66.305 4.758 1.00 30.36 C ATOM 1475 CD GLU B 65 51.320 67.133 4.680 1.00 33.04 C ATOM 1476 OE1 GLU B 65 50.251 66.554 4.392 1.00 33.46 O ATOM 1477 OE2 GLU B 65 51.391 68.356 4.918 1.00 36.44 O ATOM 1478 H GLU B 65 53.155 63.210 7.628 1.00 0.00 H ATOM 1479 N ILE B 66 55.966 65.347 5.813 1.00 22.84 N ATOM 1480 CA ILE B 66 57.182 65.972 6.322 1.00 26.57 C ATOM 1481 C ILE B 66 57.363 67.284 5.572 1.00 29.15 C ATOM 1482 O ILE B 66 57.644 67.283 4.367 1.00 28.07 O ATOM 1483 CB ILE B 66 58.406 65.060 6.150 1.00 30.67 C ATOM 1484 CG1 ILE B 66 58.212 63.755 6.926 1.00 25.09 C ATOM 1485 CG2 ILE B 66 59.680 65.757 6.623 1.00 29.54 C ATOM 1486 CD1 ILE B 66 58.708 62.528 6.192 1.00 29.86 C ATOM 1487 H ILE B 66 55.928 65.089 4.806 1.00 0.00 H ATOM 1488 N CYS B 67 57.204 68.402 6.281 1.00 34.15 N ATOM 1489 CA CYS B 67 57.348 69.729 5.682 1.00 30.87 C ATOM 1490 C CYS B 67 56.511 69.850 4.413 1.00 33.65 C ATOM 1491 O CYS B 67 56.952 70.395 3.399 1.00 43.31 O ATOM 1492 CB CYS B 67 58.815 70.043 5.389 1.00 44.99 C ATOM 1493 SG CYS B 67 59.883 70.036 6.839 1.00 49.98 S ATOM 1494 H CYS B 67 56.970 68.328 7.292 1.00 0.00 H ATOM 1495 N GLY B 68 55.288 69.330 4.467 1.00 33.44 N ATOM 1496 CA GLY B 68 54.393 69.376 3.332 1.00 38.53 C ATOM 1497 C GLY B 68 54.648 68.333 2.267 1.00 33.99 C ATOM 1498 O GLY B 68 53.904 68.289 1.279 1.00 37.23 O ATOM 1499 H GLY B 68 54.967 68.879 5.348 1.00 0.00 H ATOM 1500 N HIS B 69 55.671 67.497 2.426 1.00 28.84 N ATOM 1501 CA HIS B 69 55.963 66.421 1.488 1.00 25.18 C ATOM 1502 C HIS B 69 55.351 65.132 2.021 1.00 32.63 C ATOM 1503 O HIS B 69 55.657 64.713 3.143 1.00 27.90 O ATOM 1504 CB HIS B 69 57.470 66.261 1.286 1.00 31.76 C ATOM 1505 CG HIS B 69 58.117 67.429 0.608 1.00 30.01 C ATOM 1506 ND1 HIS B 69 58.474 67.411 -0.723 1.00 30.67 N ATOM 1507 CD2 HIS B 69 58.470 68.650 1.075 1.00 31.65 C ATOM 1508 CE1 HIS B 69 59.020 68.569 -1.046 1.00 34.71 C ATOM 1509 NE2 HIS B 69 59.029 69.339 0.027 1.00 25.44 N ATOM 1510 H HIS B 69 56.288 67.617 3.255 1.00 0.00 H ATOM 1511 N LYS B 70 54.490 64.508 1.221 1.00 27.32 N ATOM 1512 CA LYS B 70 53.794 63.306 1.652 1.00 23.60 C ATOM 1513 C LYS B 70 54.654 62.072 1.420 1.00 21.34 C ATOM 1514 O LYS B 70 55.396 61.986 0.438 1.00 25.94 O ATOM 1515 CB LYS B 70 52.464 63.163 0.912 1.00 25.27 C ATOM 1516 CG LYS B 70 51.437 64.226 1.281 1.00 33.22 C ATOM 1517 CD LYS B 70 50.078 63.931 0.666 1.00 26.30 C ATOM 1518 CE LYS B 70 49.071 65.025 0.983 1.00 29.33 C ATOM 1519 NZ LYS B 70 49.435 66.320 0.344 1.00 41.18 N ATOM 1520 HZ1 LYS B 70 50.367 66.626 0.689 1.00 0.00 H ATOM 1521 HZ2 LYS B 70 49.469 66.198 -0.688 1.00 0.00 H ATOM 1522 HZ3 LYS B 70 48.722 67.037 0.586 1.00 0.00 H ATOM 1523 H LYS B 70 54.311 64.887 0.269 1.00 0.00 H ATOM 1524 N ALA B 71 54.552 61.117 2.340 1.00 23.61 N ATOM 1525 CA ALA B 71 55.260 59.853 2.225 1.00 22.53 C ATOM 1526 C ALA B 71 54.443 58.781 2.927 1.00 27.96 C ATOM 1527 O ALA B 71 53.624 59.071 3.803 1.00 32.32 O ATOM 1528 CB ALA B 71 56.671 59.933 2.821 1.00 26.07 C ATOM 1529 H ALA B 71 53.946 61.280 3.169 1.00 0.00 H ATOM 1530 N ILE B 72 54.666 57.534 2.524 1.00 22.93 N ATOM 1531 CA ILE B 72 53.970 56.393 3.104 1.00 26.50 C ATOM 1532 C ILE B 72 54.942 55.226 3.179 1.00 21.47 C ATOM 1533 O ILE B 72 55.556 54.854 2.173 1.00 22.62 O ATOM 1534 CB ILE B 72 52.714 56.010 2.295 1.00 30.17 C ATOM 1535 CG1 ILE B 72 52.160 54.667 2.781 1.00 28.99 C ATOM 1536 CG2 ILE B 72 53.026 55.958 0.804 1.00 39.06 C ATOM 1537 CD1 ILE B 72 50.687 54.479 2.500 1.00 36.62 C ATOM 1538 H ILE B 72 55.361 57.367 1.769 1.00 0.00 H ATOM 1539 N GLY B 73 55.087 54.655 4.367 1.00 29.52 N ATOM 1540 CA GLY B 73 56.010 53.556 4.549 1.00 25.03 C ATOM 1541 C GLY B 73 55.901 52.981 5.942 1.00 23.82 C ATOM 1542 O GLY B 73 54.962 53.271 6.685 1.00 22.50 O ATOM 1543 H GLY B 73 54.532 55.001 5.176 1.00 0.00 H ATOM 1544 N THR B 74 56.887 52.157 6.285 1.00 20.56 N ATOM 1545 CA THR B 74 56.900 51.503 7.585 1.00 21.35 C ATOM 1546 C THR B 74 57.274 52.495 8.679 1.00 19.22 C ATOM 1547 O THR B 74 58.154 53.341 8.502 1.00 21.09 O ATOM 1548 CB THR B 74 57.886 50.334 7.576 1.00 24.27 C ATOM 1549 OG1 THR B 74 57.453 49.355 6.623 1.00 21.97 O ATOM 1550 CG2 THR B 74 57.982 49.681 8.952 1.00 25.48 C ATOM 1551 HG1 THR B 74 56.553 49.028 6.874 1.00 0.00 H ATOM 1552 H THR B 74 57.661 51.977 5.614 1.00 0.00 H ATOM 1553 N VAL B 75 56.599 52.378 9.820 1.00 17.71 N ATOM 1554 CA VAL B 75 56.870 53.203 10.991 1.00 16.64 C ATOM 1555 C VAL B 75 56.989 52.287 12.200 1.00 21.69 C ATOM 1556 O VAL B 75 56.120 51.438 12.428 1.00 20.84 O ATOM 1557 CB VAL B 75 55.768 54.258 11.208 1.00 26.16 C ATOM 1558 CG1 VAL B 75 55.983 55.018 12.508 1.00 28.17 C ATOM 1559 CG2 VAL B 75 55.730 55.221 10.034 1.00 23.97 C ATOM 1560 H VAL B 75 55.844 51.665 9.879 1.00 0.00 H ATOM 1561 N LEU B 76 58.061 52.459 12.966 1.00 17.36 N ATOM 1562 CA LEU B 76 58.296 51.692 14.181 1.00 14.70 C ATOM 1563 C LEU B 76 57.972 52.565 15.386 1.00 19.73 C ATOM 1564 O LEU B 76 58.499 53.674 15.512 1.00 21.75 O ATOM 1565 CB LEU B 76 59.746 51.208 14.248 1.00 14.96 C ATOM 1566 CG LEU B 76 60.265 50.508 12.990 1.00 16.36 C ATOM 1567 CD1 LEU B 76 61.743 50.184 13.130 1.00 17.86 C ATOM 1568 CD2 LEU B 76 59.464 49.249 12.697 1.00 22.62 C ATOM 1569 H LEU B 76 58.763 53.173 12.685 1.00 0.00 H ATOM 1570 N VAL B 77 57.106 52.066 16.264 1.00 15.62 N ATOM 1571 CA VAL B 77 56.624 52.819 17.416 1.00 14.18 C ATOM 1572 C VAL B 77 57.135 52.149 18.682 1.00 17.23 C ATOM 1573 O VAL B 77 56.962 50.938 18.868 1.00 16.52 O ATOM 1574 CB VAL B 77 55.088 52.914 17.418 1.00 19.21 C ATOM 1575 CG1 VAL B 77 54.600 53.726 18.614 1.00 22.29 C ATOM 1576 CG2 VAL B 77 54.599 53.533 16.116 1.00 18.51 C ATOM 1577 H VAL B 77 56.757 51.096 16.123 1.00 0.00 H ATOM 1578 N GLY B 78 57.760 52.935 19.554 1.00 17.24 N ATOM 1579 CA GLY B 78 58.285 52.422 20.794 1.00 18.41 C ATOM 1580 C GLY B 78 58.887 53.508 21.660 1.00 20.14 C ATOM 1581 O GLY B 78 58.825 54.700 21.340 1.00 18.88 O ATOM 1582 H GLY B 78 57.873 53.946 19.335 1.00 0.00 H ATOM 1583 N PRO B 79 59.489 53.109 22.780 1.00 16.88 N ATOM 1584 CA PRO B 79 60.032 54.080 23.748 1.00 18.57 C ATOM 1585 C PRO B 79 61.337 54.714 23.275 1.00 22.27 C ATOM 1586 O PRO B 79 62.387 54.601 23.915 1.00 19.76 O ATOM 1587 CB PRO B 79 60.213 53.218 25.004 1.00 21.45 C ATOM 1588 CG PRO B 79 60.497 51.855 24.475 1.00 17.60 C ATOM 1589 CD PRO B 79 59.673 51.717 23.229 1.00 20.14 C ATOM 1590 N THR B 80 61.273 55.395 22.134 1.00 18.91 N ATOM 1591 CA THR B 80 62.448 56.111 21.654 1.00 18.78 C ATOM 1592 C THR B 80 62.490 57.512 22.262 1.00 14.36 C ATOM 1593 O THR B 80 61.442 58.129 22.468 1.00 16.11 O ATOM 1594 CB THR B 80 62.444 56.214 20.130 1.00 19.40 C ATOM 1595 OG1 THR B 80 63.587 56.964 19.700 1.00 16.66 O ATOM 1596 CG2 THR B 80 61.171 56.895 19.618 1.00 16.58 C ATOM 1597 HG1 THR B 80 63.552 57.872 20.093 1.00 0.00 H ATOM 1598 H THR B 80 60.389 55.416 21.587 1.00 0.00 H ATOM 1599 N PRO B 81 63.674 58.042 22.574 1.00 18.61 N ATOM 1600 CA PRO B 81 63.735 59.394 23.153 1.00 22.60 C ATOM 1601 C PRO B 81 63.462 60.502 22.150 1.00 25.24 C ATOM 1602 O PRO B 81 63.194 61.636 22.565 1.00 23.14 O ATOM 1603 CB PRO B 81 65.167 59.475 23.701 1.00 25.40 C ATOM 1604 CG PRO B 81 65.941 58.515 22.883 1.00 23.80 C ATOM 1605 CD PRO B 81 65.002 57.411 22.498 1.00 18.95 C ATOM 1606 N VAL B 82 63.519 60.214 20.851 1.00 23.14 N ATOM 1607 CA VAL B 82 63.329 61.224 19.816 1.00 20.80 C ATOM 1608 C VAL B 82 62.630 60.569 18.634 1.00 16.32 C ATOM 1609 O VAL B 82 62.832 59.385 18.350 1.00 18.71 O ATOM 1610 CB VAL B 82 64.682 61.849 19.389 1.00 29.22 C ATOM 1611 CG1 VAL B 82 64.507 62.787 18.201 1.00 33.92 C ATOM 1612 CG2 VAL B 82 65.323 62.593 20.552 1.00 32.22 C ATOM 1613 H VAL B 82 63.706 59.232 20.564 1.00 0.00 H ATOM 1614 N ASN B 83 61.797 61.346 17.945 1.00 16.41 N ATOM 1615 CA ASN B 83 61.191 60.888 16.702 1.00 15.37 C ATOM 1616 C ASN B 83 62.233 60.943 15.591 1.00 21.65 C ATOM 1617 O ASN B 83 62.908 61.962 15.412 1.00 19.59 O ATOM 1618 CB ASN B 83 59.978 61.745 16.343 1.00 21.95 C ATOM 1619 CG ASN B 83 58.846 61.603 17.342 1.00 26.42 C ATOM 1620 OD1 ASN B 83 58.463 60.494 17.716 1.00 24.67 O ATOM 1621 ND2 ASN B 83 58.305 62.731 17.781 1.00 23.02 N ATOM 1622 HD22 ASN B 83 58.660 63.646 17.438 1.00 0.00 H ATOM 1623 HD21 ASN B 83 57.525 62.701 18.469 1.00 0.00 H ATOM 1624 H ASN B 83 61.575 62.298 18.301 1.00 0.00 H ATOM 1625 N ILE B 84 62.361 59.847 14.847 1.00 16.00 N ATOM 1626 CA ILE B 84 63.437 59.661 13.878 1.00 15.15 C ATOM 1627 C ILE B 84 62.817 59.362 12.521 1.00 17.02 C ATOM 1628 O ILE B 84 62.146 58.337 12.355 1.00 12.66 O ATOM 1629 CB ILE B 84 64.383 58.527 14.307 1.00 21.35 C ATOM 1630 CG1 ILE B 84 65.084 58.894 15.618 1.00 19.65 C ATOM 1631 CG2 ILE B 84 65.409 58.222 13.210 1.00 18.58 C ATOM 1632 CD1 ILE B 84 65.787 57.733 16.282 1.00 22.91 C ATOM 1633 H ILE B 84 61.661 59.086 14.961 1.00 0.00 H ATOM 1634 N ILE B 85 63.054 60.242 11.550 1.00 13.64 N ATOM 1635 CA ILE B 85 62.658 60.000 10.166 1.00 14.19 C ATOM 1636 C ILE B 85 63.836 59.335 9.462 1.00 15.96 C ATOM 1637 O ILE B 85 64.889 59.951 9.268 1.00 15.15 O ATOM 1638 CB ILE B 85 62.242 61.294 9.456 1.00 17.13 C ATOM 1639 CG1 ILE B 85 61.140 62.013 10.241 1.00 17.05 C ATOM 1640 CG2 ILE B 85 61.770 60.996 8.033 1.00 15.02 C ATOM 1641 CD1 ILE B 85 59.886 61.184 10.473 1.00 22.49 C ATOM 1642 H ILE B 85 63.538 61.132 11.786 1.00 0.00 H ATOM 1643 N GLY B 86 63.656 58.073 9.075 1.00 14.52 N ATOM 1644 CA GLY B 86 64.718 57.296 8.476 1.00 11.45 C ATOM 1645 C GLY B 86 64.702 57.336 6.958 1.00 10.78 C ATOM 1646 O GLY B 86 63.852 57.959 6.324 1.00 16.11 O ATOM 1647 H GLY B 86 62.723 57.633 9.208 1.00 0.00 H ATOM 1648 N ARG B 87 65.670 56.625 6.374 1.00 11.39 N ATOM 1649 CA ARG B 87 65.872 56.681 4.930 1.00 15.78 C ATOM 1650 C ARG B 87 64.664 56.161 4.160 1.00 17.54 C ATOM 1651 O ARG B 87 64.430 56.586 3.023 1.00 17.59 O ATOM 1652 CB ARG B 87 67.124 55.890 4.548 1.00 17.38 C ATOM 1653 CG ARG B 87 68.420 56.529 5.023 1.00 20.73 C ATOM 1654 CD ARG B 87 69.648 55.853 4.427 1.00 20.49 C ATOM 1655 NE ARG B 87 69.784 54.461 4.854 1.00 15.07 N ATOM 1656 CZ ARG B 87 69.408 53.400 4.143 1.00 22.17 C ATOM 1657 NH1 ARG B 87 68.864 53.538 2.943 1.00 18.66 N ATOM 1658 NH2 ARG B 87 69.583 52.184 4.640 1.00 20.25 N ATOM 1659 HE ARG B 87 70.208 54.286 5.787 1.00 0.00 H ATOM 1660 HH12 ARG B 87 68.577 52.697 2.403 1.00 0.00 H ATOM 1661 HH11 ARG B 87 68.724 54.487 2.541 1.00 0.00 H ATOM 1662 HH22 ARG B 87 69.292 51.351 4.090 1.00 0.00 H ATOM 1663 HH21 ARG B 87 70.012 52.063 5.580 1.00 0.00 H ATOM 1664 H ARG B 87 66.288 56.024 6.956 1.00 0.00 H ATOM 1665 N ASN B 88 63.883 55.250 4.748 1.00 16.05 N ATOM 1666 CA ASN B 88 62.738 54.706 4.024 1.00 16.88 C ATOM 1667 C ASN B 88 61.744 55.799 3.652 1.00 19.21 C ATOM 1668 O ASN B 88 61.040 55.678 2.644 1.00 16.33 O ATOM 1669 CB ASN B 88 62.049 53.613 4.848 1.00 16.58 C ATOM 1670 CG ASN B 88 61.383 54.149 6.099 1.00 18.64 C ATOM 1671 OD1 ASN B 88 61.959 54.956 6.828 1.00 19.42 O ATOM 1672 ND2 ASN B 88 60.158 53.700 6.354 1.00 17.23 N ATOM 1673 HD22 ASN B 88 59.710 53.018 5.710 1.00 0.00 H ATOM 1674 HD21 ASN B 88 59.648 54.031 7.198 1.00 0.00 H ATOM 1675 H ASN B 88 64.090 54.930 5.716 1.00 0.00 H ATOM 1676 N LEU B 89 61.678 56.873 4.439 1.00 15.24 N ATOM 1677 CA LEU B 89 60.815 58.006 4.128 1.00 14.56 C ATOM 1678 C LEU B 89 61.572 59.200 3.569 1.00 20.90 C ATOM 1679 O LEU B 89 60.995 59.979 2.801 1.00 19.06 O ATOM 1680 CB LEU B 89 60.044 58.444 5.379 1.00 16.64 C ATOM 1681 CG LEU B 89 59.163 57.375 6.031 1.00 21.08 C ATOM 1682 CD1 LEU B 89 58.463 57.939 7.253 1.00 18.72 C ATOM 1683 CD2 LEU B 89 58.143 56.822 5.049 1.00 12.98 C ATOM 1684 H LEU B 89 62.260 56.903 5.301 1.00 0.00 H ATOM 1685 N LEU B 90 62.847 59.366 3.931 1.00 12.45 N ATOM 1686 CA LEU B 90 63.622 60.485 3.405 1.00 14.67 C ATOM 1687 C LEU B 90 63.733 60.414 1.888 1.00 19.27 C ATOM 1688 O LEU B 90 63.698 61.446 1.206 1.00 20.07 O ATOM 1689 CB LEU B 90 65.012 60.509 4.042 1.00 12.54 C ATOM 1690 CG LEU B 90 65.091 60.816 5.540 1.00 10.13 C ATOM 1691 CD1 LEU B 90 66.529 60.685 6.025 1.00 12.28 C ATOM 1692 CD2 LEU B 90 64.548 62.198 5.853 1.00 17.45 C ATOM 1693 H LEU B 90 63.289 58.695 4.591 1.00 0.00 H ATOM 1694 N THR B 91 63.875 59.205 1.338 1.00 14.61 N ATOM 1695 CA THR B 91 63.932 59.062 -0.114 1.00 20.34 C ATOM 1696 C THR B 91 62.629 59.509 -0.761 1.00 25.20 C ATOM 1697 O THR B 91 62.634 60.097 -1.850 1.00 27.11 O ATOM 1698 CB THR B 91 64.229 57.611 -0.494 1.00 21.98 C ATOM 1699 OG1 THR B 91 63.246 56.750 0.092 1.00 25.07 O ATOM 1700 CG2 THR B 91 65.615 57.200 -0.026 1.00 24.61 C ATOM 1701 HG1 THR B 91 63.271 56.844 1.077 1.00 0.00 H ATOM 1702 H THR B 91 63.945 58.364 1.945 1.00 0.00 H ATOM 1703 N GLN B 92 61.499 59.238 -0.104 1.00 24.43 N ATOM 1704 CA GLN B 92 60.204 59.550 -0.694 1.00 23.24 C ATOM 1705 C GLN B 92 59.985 61.052 -0.819 1.00 31.08 C ATOM 1706 O GLN B 92 59.227 61.495 -1.690 1.00 30.90 O ATOM 1707 CB GLN B 92 59.091 58.915 0.137 1.00 23.97 C ATOM 1708 CG GLN B 92 59.154 57.395 0.179 1.00 21.47 C ATOM 1709 CD GLN B 92 57.964 56.782 0.889 1.00 27.43 C ATOM 1710 OE1 GLN B 92 56.882 57.366 0.927 1.00 33.24 O ATOM 1711 NE2 GLN B 92 58.162 55.600 1.464 1.00 28.75 N ATOM 1712 HE22 GLN B 92 59.095 55.143 1.406 1.00 0.00 H ATOM 1713 HE21 GLN B 92 57.384 55.132 1.972 1.00 0.00 H ATOM 1714 H GLN B 92 61.544 58.800 0.838 1.00 0.00 H ATOM 1715 N ILE B 93 60.629 61.850 0.033 1.00 25.69 N ATOM 1716 CA ILE B 93 60.509 63.301 -0.032 1.00 21.04 C ATOM 1717 C ILE B 93 61.654 63.930 -0.820 1.00 21.32 C ATOM 1718 O ILE B 93 61.750 65.158 -0.892 1.00 36.55 O ATOM 1719 CB ILE B 93 60.407 63.910 1.377 1.00 28.47 C ATOM 1720 CG1 ILE B 93 61.688 63.662 2.181 1.00 25.04 C ATOM 1721 CG2 ILE B 93 59.201 63.327 2.109 1.00 22.26 C ATOM 1722 CD1 ILE B 93 61.749 64.435 3.485 1.00 29.33 C ATOM 1723 H ILE B 93 61.234 61.425 0.765 1.00 0.00 H ATOM 1724 N GLY B 94 62.521 63.116 -1.418 1.00 27.24 N ATOM 1725 CA GLY B 94 63.600 63.635 -2.235 1.00 29.12 C ATOM 1726 C GLY B 94 64.748 64.233 -1.457 1.00 33.50 C ATOM 1727 O GLY B 94 65.398 65.165 -1.944 1.00 27.80 O ATOM 1728 H GLY B 94 62.422 62.088 -1.297 1.00 0.00 H ATOM 1729 N CYS B 95 65.027 63.717 -0.263 1.00 20.55 N ATOM 1730 CA CYS B 95 66.068 64.267 0.593 1.00 25.88 C ATOM 1731 C CYS B 95 67.427 63.677 0.242 1.00 22.90 C ATOM 1732 O CYS B 95 67.561 62.467 0.038 1.00 25.58 O ATOM 1733 CB CYS B 95 65.744 64.001 2.064 1.00 27.81 C ATOM 1734 SG CYS B 95 66.868 64.815 3.224 1.00 24.62 S ATOM 1735 H CYS B 95 64.484 62.895 0.069 1.00 0.00 H ATOM 1736 N THR B 96 68.433 64.548 0.174 1.00 21.50 N ATOM 1737 CA THR B 96 69.794 64.147 -0.144 1.00 23.78 C ATOM 1738 C THR B 96 70.768 64.844 0.796 1.00 17.36 C ATOM 1739 O THR B 96 70.470 65.896 1.367 1.00 19.57 O ATOM 1740 CB THR B 96 70.160 64.482 -1.598 1.00 22.58 C ATOM 1741 OG1 THR B 96 69.984 65.887 -1.829 1.00 24.02 O ATOM 1742 CG2 THR B 96 69.293 63.695 -2.570 1.00 28.55 C ATOM 1743 HG1 THR B 96 69.039 66.132 -1.663 1.00 0.00 H ATOM 1744 H THR B 96 68.237 65.553 0.355 1.00 0.00 H ATOM 1745 N LEU B 97 71.937 64.231 0.956 1.00 19.50 N ATOM 1746 CA LEU B 97 73.084 64.882 1.569 1.00 24.80 C ATOM 1747 C LEU B 97 73.935 65.529 0.484 1.00 23.84 C ATOM 1748 O LEU B 97 74.042 65.018 -0.633 1.00 31.34 O ATOM 1749 CB LEU B 97 73.930 63.881 2.361 1.00 20.77 C ATOM 1750 CG LEU B 97 73.385 63.376 3.695 1.00 22.44 C ATOM 1751 CD1 LEU B 97 74.294 62.287 4.243 1.00 24.94 C ATOM 1752 CD2 LEU B 97 73.263 64.509 4.697 1.00 21.96 C ATOM 1753 H LEU B 97 72.035 63.248 0.630 1.00 0.00 H ATOM 1754 N ASN B 98 74.542 66.665 0.820 1.00 25.89 N ATOM 1755 CA ASN B 98 75.306 67.425 -0.160 1.00 24.68 C ATOM 1756 C ASN B 98 76.481 68.107 0.521 1.00 24.43 C ATOM 1757 O ASN B 98 76.298 68.823 1.510 1.00 24.27 O ATOM 1758 CB ASN B 98 74.421 68.468 -0.852 1.00 21.95 C ATOM 1759 CG ASN B 98 73.213 67.850 -1.527 1.00 31.18 C ATOM 1760 OD1 ASN B 98 72.210 67.554 -0.877 1.00 28.15 O ATOM 1761 ND2 ASN B 98 73.303 67.652 -2.837 1.00 30.89 N ATOM 1762 HD22 ASN B 98 74.171 67.918 -3.345 1.00 0.00 H ATOM 1763 HD21 ASN B 98 72.506 67.231 -3.355 1.00 0.00 H ATOM 1764 H ASN B 98 74.470 67.015 1.797 1.00 0.00 H ATOM 1765 N PHE B 99 77.678 67.884 -0.013 1.00 26.28 N ATOM 1766 CA PHE B 99 78.874 68.574 0.453 1.00 31.41 C ATOM 1767 C PHE B 99 79.947 68.553 -0.630 1.00 34.55 C ATOM 1768 O PHE B 99 80.978 69.216 -0.518 1.00 28.96 O ATOM 1769 CB PHE B 99 79.406 67.941 1.743 1.00 28.87 C ATOM 1770 CG PHE B 99 79.905 66.534 1.577 1.00 30.40 C ATOM 1771 CD1 PHE B 99 79.052 65.459 1.758 1.00 32.52 C ATOM 1772 CD2 PHE B 99 81.231 66.286 1.263 1.00 27.87 C ATOM 1773 CE1 PHE B 99 79.508 64.164 1.615 1.00 30.86 C ATOM 1774 CE2 PHE B 99 81.692 64.993 1.118 1.00 36.79 C ATOM 1775 CZ PHE B 99 80.829 63.930 1.294 1.00 34.67 C ATOM 1776 OXT PHE B 99 79.805 67.871 -1.644 1.00 33.40 O ATOM 1777 H PHE B 99 77.763 67.195 -0.788 1.00 0.00 H TER 1778 PHE B 99 HETATM 1779 O HOH 1 61.291 71.141 17.041 1.00 35.90 O HETATM 1780 O HOH 2 59.577 64.439 20.629 1.00 42.01 O HETATM 1781 O HOH 3 61.274 50.754 6.871 1.00 28.80 O HETATM 1782 O HOH 4 61.486 66.875 -2.544 1.00 31.05 O HETATM 1783 O HOH 5 46.536 67.034 15.149 1.00 39.47 O HETATM 1784 O HOH 6 50.582 52.195 24.154 1.00 41.50 O HETATM 1785 O HOH 7 56.816 63.254 -1.216 1.00 26.06 O HETATM 1786 O HOH 8 57.672 48.792 22.777 1.00 30.33 O HETATM 1787 O HOH 9 63.483 53.275 25.786 1.00 23.17 O HETATM 1788 O HOH 10 81.945 70.938 1.092 1.00 38.53 O HETATM 1789 O HOH 11 69.845 75.629 8.098 1.00 27.69 O HETATM 1790 O HOH 12 57.806 65.402 -2.155 1.00 27.80 O HETATM 1791 O HOH 13 67.787 66.602 -2.962 1.00 29.93 O HETATM 1792 O HOH 14 50.622 47.462 10.055 1.00 29.19 O HETATM 1793 O HOH 15 57.973 39.866 14.979 1.00 31.16 O HETATM 1794 O HOH 16 69.530 71.549 11.576 1.00 20.65 O HETATM 1795 O HOH 17 71.791 74.761 11.526 1.00 25.26 O HETATM 1796 O HOH 18 66.936 71.863 16.070 1.00 21.99 O HETATM 1797 O HOH 19 48.790 67.381 16.713 1.00 35.32 O HETATM 1798 O HOH 20 71.199 48.655 14.384 1.00 25.27 O HETATM 1799 O HOH 21 61.115 45.259 10.012 1.00 33.93 O HETATM 1800 O HOH 22 67.374 44.685 14.885 1.00 30.54 O HETATM 1801 O HOH 23 67.252 60.195 -1.450 1.00 19.54 O HETATM 1802 O HOH 24 59.739 71.972 0.245 1.00 27.96 O HETATM 1803 O HOH 25 64.684 65.799 -4.534 1.00 21.38 O HETATM 1804 O HOH 26 61.325 64.114 18.583 1.00 29.17 O HETATM 1805 O HOH 27 71.516 54.752 7.001 1.00 16.00 O HETATM 1806 O HOH 28 48.894 58.552 9.271 1.00 31.42 O HETATM 1807 O HOH 29 50.699 65.486 18.592 1.00 34.26 O HETATM 1808 O HOH 30 69.860 50.061 2.853 1.00 39.65 O HETATM 1809 O HOH 31 65.636 51.888 4.366 1.00 28.45 O HETATM 1810 O HOH 32 70.052 71.073 18.246 1.00 24.46 O HETATM 1811 O HOH 33 47.272 61.824 9.346 1.00 40.15 O HETATM 1812 O HOH 34 71.740 52.900 9.048 1.00 21.56 O HETATM 1813 O HOH 35 58.787 51.776 4.240 1.00 24.17 O HETATM 1814 O HOH 36 62.303 48.237 25.039 1.00 21.21 O HETATM 1815 O HOH 37 55.200 49.854 4.795 1.00 29.48 O HETATM 1816 O HOH 38 67.448 72.825 11.689 1.00 22.30 O HETATM 1817 O HOH 39 48.979 57.998 22.449 1.00 42.52 O HETATM 1818 O HOH 40 56.289 54.332 -0.577 1.00 35.30 O HETATM 1819 O HOH 41 59.562 72.633 12.877 1.00 43.15 O HETATM 1820 O HOH 42 68.672 46.992 14.739 1.00 19.22 O HETATM 1821 O HOH 43 65.896 66.778 20.095 1.00 26.74 O HETATM 1822 O HOH 44 58.734 57.288 23.353 1.00 28.67 O HETATM 1823 O HOH 45 70.307 45.343 24.201 1.00 38.62 O HETATM 1824 O HOH 46 69.579 51.871 10.944 1.00 22.65 O HETATM 1825 O HOH 47 67.190 51.178 2.206 1.00 37.84 O HETATM 1826 O HOH 48 77.360 72.886 16.110 1.00 26.58 O HETATM 1827 O HOH 49 57.045 65.980 19.155 1.00 28.81 O HETATM 1828 O HOH 50 62.098 73.364 12.910 1.00 44.60 O HETATM 1829 O HOH 51 59.195 72.268 10.365 1.00 37.33 O HETATM 1830 O HOH 52 45.158 46.079 10.228 1.00 39.56 O HETATM 1831 O HOH 53 48.659 43.100 15.618 1.00 30.88 O HETATM 1832 O HOH 54 60.868 60.245 -4.537 1.00 39.44 O HETATM 1833 O HOH 55 69.530 46.564 25.739 1.00 38.48 O HETATM 1834 O HOH 56 73.750 73.224 18.696 1.00 36.45 O HETATM 1835 O HOH 57 67.759 49.348 4.147 1.00 43.02 O HETATM 1836 O HOH 58 61.315 47.327 9.141 1.00 37.16 O HETATM 1837 O HOH 59 55.453 47.322 22.207 1.00 42.45 O HETATM 1838 O HOH 60 53.808 68.937 7.850 1.00 43.25 O HETATM 1839 O HOH 61 69.199 66.415 24.439 1.00 38.60 O HETATM 1840 O HOH 62 71.668 46.527 15.107 1.00 33.89 O HETATM 1841 O HOH 63 63.583 46.441 25.873 1.00 37.14 O HETATM 1842 O HOH 64 70.707 50.106 11.975 1.00 28.33 O HETATM 1843 O HOH 65 74.850 77.990 4.391 1.00 39.51 O HETATM 1844 O HOH 66 76.591 77.422 6.422 1.00 30.96 O HETATM 1845 O HOH 67 54.955 69.240 18.963 1.00 40.58 O HETATM 1846 O HOH 68 66.532 68.979 20.495 1.00 34.06 O HETATM 1847 O HOH 69 68.311 71.343 19.250 1.00 43.98 O HETATM 1848 O HOH 70 61.278 73.261 9.251 1.00 44.24 O HETATM 1849 O HOH 71 73.554 47.520 14.154 1.00 44.44 O HETATM 1850 O HOH 72 57.619 53.855 -2.846 1.00 41.79 O HETATM 1851 O HOH 73 71.652 73.680 19.284 1.00 49.22 O HETATM 1852 O HOH 74 63.433 66.098 19.634 1.00 29.35 O HETATM 1853 O HOH 75 93.204 47.401 13.114 1.00 46.10 O HETATM 1854 O HOH 76 81.014 66.315 19.637 1.00 34.56 O HETATM 1855 O HOH 77 77.862 67.437 21.131 1.00 38.45 O HETATM 1856 O HOH 78 68.723 72.745 -1.459 1.00 32.91 O HETATM 1857 O HOH 79 94.025 61.281 12.773 1.00 24.82 O HETATM 1858 O HOH 80 73.499 56.839 0.421 1.00 19.89 O HETATM 1859 O HOH 81 79.818 46.801 13.844 1.00 28.90 O HETATM 1860 O HOH 82 71.537 55.007 18.986 1.00 15.12 O HETATM 1861 O HOH 83 89.585 71.518 15.646 1.00 20.93 O HETATM 1862 O HOH 84 83.777 51.764 26.777 1.00 32.98 O HETATM 1863 O HOH 85 77.262 68.357 17.461 1.00 22.81 O HETATM 1864 O HOH 86 93.139 61.856 8.628 1.00 25.87 O HETATM 1865 O HOH 87 75.720 72.019 7.984 1.00 23.92 O HETATM 1866 O HOH 88 73.818 51.282 29.566 1.00 21.66 O HETATM 1867 O HOH 89 76.317 48.868 6.447 1.00 46.14 O HETATM 1868 O HOH 90 87.916 68.773 19.241 1.00 20.60 O HETATM 1869 O HOH 91 79.192 64.887 23.447 1.00 43.21 O HETATM 1870 O HOH 92 70.391 57.364 -6.488 1.00 27.91 O HETATM 1871 O HOH 93 71.255 55.819 -2.672 1.00 21.21 O HETATM 1872 O HOH 94 83.185 70.757 15.239 1.00 22.71 O HETATM 1873 O HOH 95 66.062 53.807 25.602 1.00 26.31 O HETATM 1874 O HOH 96 81.500 47.955 18.242 1.00 19.34 O HETATM 1875 O HOH 97 83.974 48.599 19.489 1.00 18.90 O HETATM 1876 O HOH 98 71.080 65.574 15.041 1.00 14.77 O HETATM 1877 O HOH 99 85.933 50.172 12.240 1.00 42.27 O HETATM 1878 O HOH 100 80.219 50.120 7.812 1.00 39.40 O HETATM 1879 O HOH 101 70.772 64.152 17.413 1.00 10.98 O HETATM 1880 O HOH 102 76.060 71.647 1.327 1.00 21.30 O HETATM 1881 O HOH 103 76.179 50.162 22.590 1.00 19.80 O HETATM 1882 O HOH 104 81.288 50.369 11.523 1.00 20.75 O HETATM 1883 O HOH 105 71.644 67.706 21.680 1.00 39.12 O HETATM 1884 O HOH 106 79.661 72.185 14.550 1.00 29.14 O HETATM 1885 O HOH 107 81.428 50.793 9.363 1.00 40.73 O HETATM 1886 O HOH 108 91.849 64.676 23.626 1.00 31.23 O HETATM 1887 O HOH 109 82.285 63.505 18.597 1.00 17.82 O HETATM 1888 O HOH 110 76.459 59.798 -4.951 1.00 36.72 O HETATM 1889 O HOH 111 80.335 62.166 30.473 1.00 36.45 O HETATM 1890 O HOH 112 73.655 70.943 18.481 1.00 35.08 O HETATM 1891 O HOH 113 86.492 52.021 14.342 1.00 33.42 O HETATM 1892 O HOH 114 84.103 68.561 17.064 1.00 16.92 O HETATM 1893 O HOH 115 79.291 52.416 9.393 1.00 29.51 O HETATM 1894 O HOH 116 79.489 51.104 28.277 1.00 25.79 O HETATM 1895 O HOH 117 72.707 50.026 2.117 1.00 26.67 O HETATM 1896 O HOH 118 83.930 57.077 0.107 1.00 31.43 O HETATM 1897 O HOH 119 94.871 52.080 6.049 1.00 37.16 O HETATM 1898 O HOH 120 95.915 55.262 25.971 1.00 49.78 O HETATM 1899 O HOH 121 74.227 58.907 -4.525 1.00 29.40 O HETATM 1900 O HOH 122 85.830 49.785 8.653 1.00 30.23 O HETATM 1901 O HOH 123 66.846 71.196 -3.070 1.00 35.20 O HETATM 1902 O HOH 124 93.830 45.271 13.741 1.00 44.24 O HETATM 1903 O HOH 125 93.205 63.833 29.310 1.00 37.40 O HETATM 1904 O HOH 126 89.035 60.091 2.756 1.00 34.24 O HETATM 1905 O HOH 127 73.993 51.072 9.611 1.00 29.50 O HETATM 1906 O HOH 128 73.042 69.596 20.270 1.00 40.56 O HETATM 1907 O HOH 129 73.399 49.238 11.027 1.00 35.43 O HETATM 1908 O HOH 130 73.319 45.699 9.841 1.00 36.12 O HETATM 1909 O HOH 131 65.564 52.799 1.315 1.00 43.18 O HETATM 1910 O HOH 132 82.749 53.689 0.609 1.00 41.53 O HETATM 1911 O HOH 133 83.583 72.885 3.064 1.00 37.69 O HETATM 1912 O HOH 134 77.734 74.161 7.620 1.00 43.06 O HETATM 1913 O HOH 135 82.728 49.256 9.639 1.00 41.72 O HETATM 1914 O HOH 136 75.448 69.506 19.979 1.00 38.04 O HETATM 1915 O HOH 137 79.664 47.902 11.327 1.00 29.21 O HETATM 1916 O HOH 138 60.569 55.320 -2.868 1.00 48.24 O HETATM 1917 O HOH 139 83.685 66.885 -3.722 1.00 42.50 O HETATM 1918 O HOH 140 84.384 69.063 26.954 1.00 46.09 O HETATM 1919 O HOH 141 81.568 65.434 22.945 1.00 41.09 O HETATM 1920 O HOH 142 76.881 50.771 8.645 1.00 37.93 O HETATM 1921 O HOH 143 67.734 68.704 -4.622 1.00 27.86 O HETATM 1922 O HOH 144 97.418 60.712 7.920 1.00 33.31 O HETATM 1923 O HOH 145 71.506 71.353 19.544 1.00 41.99 O HETATM 1924 O HOH 146 81.611 72.432 16.061 1.00 33.48 O HETATM 1925 O HOH 147 79.860 70.255 17.603 1.00 37.76 O HETATM 1926 O HOH 148 66.630 48.765 2.002 1.00 45.28 O HETATM 1927 O HOH 149 72.716 47.963 2.009 1.00 51.47 O HETATM 1928 O HOH 150 87.090 68.807 31.407 1.00 45.31 O HETATM 1929 O HOH 151 85.067 69.344 31.557 1.00 52.37 O HETATM 1930 C13 NJJ A 152 73.257 54.400 15.910 1.00 -0.05 C HETATM 1931 C12 NJJ A 152 72.921 54.552 14.412 1.00 -0.02 C HETATM 1932 C11 NJJ A 152 71.343 54.353 14.218 1.00 0.03 C HETATM 1933 N10 NJJ A 152 70.561 55.366 15.038 1.00 -0.23 N HETATM 1934 C15 NJJ A 152 70.197 56.632 14.351 1.00 0.06 C HETATM 1935 C16 NJJ A 152 71.114 57.773 14.869 1.00 0.10 C HETATM 1936 C18 NJJ A 152 70.745 58.119 16.307 1.00 0.08 C HETATM 1937 C31 NJJ A 152 69.382 58.794 16.400 1.00 0.01 C HETATM 1938 C32 NJJ A 152 69.152 59.190 17.899 1.00 -0.04 C HETATM 1939 C33 NJJ A 152 69.351 60.628 18.354 1.00 -0.06 C HETATM 1940 C34 NJJ A 152 69.129 61.000 19.825 1.00 -0.07 C HETATM 1941 C35 NJJ A 152 68.716 59.930 20.827 1.00 -0.07 C HETATM 1942 C36 NJJ A 152 68.524 58.498 20.373 1.00 -0.07 C HETATM 1943 C37 NJJ A 152 68.745 58.124 18.898 1.00 -0.06 C HETATM 1944 H31 NJJ A 152 68.610 57.099 18.572 1.00 0.06 H HETATM 1945 H30 NJJ A 152 68.231 57.737 21.087 1.00 0.06 H HETATM 1946 H29 NJJ A 152 68.559 60.194 21.867 1.00 0.06 H HETATM 1947 H28 NJJ A 152 69.266 62.025 20.152 1.00 0.06 H HETATM 1948 H27 NJJ A 152 69.649 61.388 17.640 1.00 0.06 H HETATM 1949 H25 NJJ A 152 68.596 58.099 16.071 1.00 0.04 H HETATM 1950 H26 NJJ A 152 69.365 59.694 15.767 1.00 0.04 H HETATM 1951 N19 NJJ A 152 71.735 59.083 16.816 1.00 -0.26 N HETATM 1952 C20 NJJ A 152 72.769 58.695 17.779 1.00 0.32 C HETATM 1953 O21 NJJ A 152 72.748 57.646 18.340 1.00 -0.38 O HETATM 1954 O22 NJJ A 152 73.813 59.659 18.008 1.00 -0.26 O HETATM 1955 C23 NJJ A 152 74.689 59.479 19.238 1.00 0.12 C HETATM 1956 C24 NJJ A 152 75.833 59.898 18.941 1.00 0.08 C HETATM 1957 O25 NJJ A 152 75.648 61.534 18.974 1.00 -0.35 O HETATM 1958 C27 NJJ A 152 74.861 61.792 19.976 1.00 0.16 C HETATM 1959 C26 NJJ A 152 74.254 60.458 20.392 1.00 0.04 C HETATM 1960 C28 NJJ A 152 72.924 60.653 20.447 1.00 -0.02 C HETATM 1961 C29 NJJ A 152 72.606 61.909 19.481 1.00 0.05 C HETATM 1962 O30 NJJ A 152 73.643 62.703 19.562 1.00 -0.35 O HETATM 1963 H23 NJJ A 152 71.699 62.431 19.820 1.00 0.06 H HETATM 1964 H24 NJJ A 152 72.467 61.568 18.445 1.00 0.06 H HETATM 1965 H8 NJJ A 152 72.615 60.879 21.478 1.00 0.03 H HETATM 1966 H9 NJJ A 152 72.393 59.757 20.093 1.00 0.03 H HETATM 1967 H7 NJJ A 152 74.632 60.111 21.365 1.00 0.04 H HETATM 1968 H22 NJJ A 152 75.427 62.256 20.797 1.00 0.09 H HETATM 1969 H5 NJJ A 152 76.132 59.554 17.940 1.00 0.06 H HETATM 1970 H6 NJJ A 152 76.579 59.569 19.680 1.00 0.06 H HETATM 1971 H21 NJJ A 152 74.693 58.430 19.569 1.00 0.07 H HETATM 1972 H41 NJJ A 152 71.701 60.029 16.495 1.00 0.19 H HETATM 1973 H20 NJJ A 152 70.749 57.204 16.917 1.00 0.06 H HETATM 1974 O17 NJJ A 152 70.974 58.887 14.054 1.00 -0.39 O HETATM 1975 H42 NJJ A 152 71.207 58.657 13.162 1.00 0.21 H HETATM 1976 H19 NJJ A 152 72.161 57.436 14.839 1.00 0.06 H HETATM 1977 H3 NJJ A 152 70.333 56.514 13.266 1.00 0.05 H HETATM 1978 H4 NJJ A 152 69.146 56.878 14.565 1.00 0.05 H HETATM 1979 S07 NJJ A 152 69.335 54.688 16.072 1.00 0.07 S HETATM 1980 C04 NJJ A 152 68.483 53.452 14.967 1.00 0.10 C HETATM 1981 C03 NJJ A 152 68.861 51.986 15.062 1.00 -0.04 C HETATM 1982 C02 NJJ A 152 68.184 50.974 14.139 1.00 -0.06 C HETATM 1983 C01 NJJ A 152 67.151 51.450 13.133 1.00 -0.01 C HETATM 1984 C06 NJJ A 152 66.785 52.925 13.025 1.00 -0.06 C HETATM 1985 C05 NJJ A 152 67.459 53.939 13.945 1.00 -0.04 C HETATM 1986 H12 NJJ A 152 67.213 54.992 13.874 1.00 0.06 H HETATM 1987 H13 NJJ A 152 66.050 53.252 12.299 1.00 0.06 H HETATM 1988 C41 NJJ A 152 66.484 50.451 12.210 1.00 0.11 C HETATM 1989 C38 NJJ A 152 65.081 50.103 12.727 1.00 0.08 C HETATM 1990 O43 NJJ A 152 64.712 48.842 12.229 1.00 -0.39 O HETATM 1991 H44 NJJ A 152 64.708 48.867 11.279 1.00 0.21 H HETATM 1992 H32 NJJ A 152 64.362 50.861 12.382 1.00 0.06 H HETATM 1993 H33 NJJ A 152 65.088 50.078 13.827 1.00 0.06 H HETATM 1994 O42 NJJ A 152 66.392 51.028 10.954 1.00 -0.38 O HETATM 1995 H43 NJJ A 152 65.979 50.417 10.355 1.00 0.21 H HETATM 1996 H40 NJJ A 152 67.090 49.534 12.155 1.00 0.08 H HETATM 1997 H10 NJJ A 152 68.440 49.922 14.202 1.00 0.06 H HETATM 1998 H11 NJJ A 152 69.605 51.659 15.779 1.00 0.06 H HETATM 1999 O08 NJJ A 152 68.414 55.708 16.591 1.00 -0.15 O HETATM 2000 O09 NJJ A 152 69.892 54.080 17.273 1.00 -0.15 O HETATM 2001 H14 NJJ A 152 71.066 53.339 14.541 1.00 0.05 H HETATM 2002 H15 NJJ A 152 71.092 54.481 13.155 1.00 0.05 H HETATM 2003 C14 NJJ A 152 73.661 53.506 13.509 1.00 -0.05 C HETATM 2004 C39 NJJ A 152 73.321 52.020 13.932 1.00 -0.07 C HETATM 2005 H34 NJJ A 152 73.859 51.320 13.276 1.00 0.02 H HETATM 2006 H35 NJJ A 152 72.238 51.851 13.839 1.00 0.02 H HETATM 2007 H36 NJJ A 152 73.630 51.856 14.975 1.00 0.02 H HETATM 2008 H17 NJJ A 152 74.746 53.662 13.599 1.00 0.03 H HETATM 2009 H18 NJJ A 152 73.354 53.658 12.464 1.00 0.03 H HETATM 2010 H16 NJJ A 152 73.208 55.563 14.088 1.00 0.03 H HETATM 2011 C40 NJJ A 152 74.754 54.329 16.129 1.00 -0.07 C HETATM 2012 H37 NJJ A 152 74.963 54.221 17.204 1.00 0.02 H HETATM 2013 H38 NJJ A 152 75.223 55.251 15.755 1.00 0.02 H HETATM 2014 H39 NJJ A 152 75.163 53.464 15.587 1.00 0.02 H HETATM 2015 H1 NJJ A 152 72.794 53.477 16.290 1.00 0.03 H HETATM 2016 H2 NJJ A 152 72.855 55.265 16.458 1.00 0.03 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 881 882 887 888 889 CONECT 888 881 CONECT 889 881 CONECT 1930 1931 2011 2015 2016 CONECT 1931 1930 1932 2003 2010 CONECT 1932 1931 1933 2001 2002 CONECT 1933 1932 1934 1979 CONECT 1934 1933 1935 1977 1978 CONECT 1935 1934 1936 1974 1976 CONECT 1936 1935 1937 1951 1973 CONECT 1937 1936 1938 1949 1950 CONECT 1938 1937 1939 1943 CONECT 1939 1938 1940 1948 CONECT 1940 1939 1941 1947 CONECT 1941 1940 1942 1946 CONECT 1942 1941 1943 1945 CONECT 1943 1938 1942 1944 CONECT 1944 1943 CONECT 1945 1942 CONECT 1946 1941 CONECT 1947 1940 CONECT 1948 1939 CONECT 1949 1937 CONECT 1950 1937 CONECT 1951 1936 1952 1972 CONECT 1952 1951 1953 1954 CONECT 1953 1952 CONECT 1954 1952 1955 CONECT 1955 1954 1956 1959 1971 CONECT 1956 1955 1957 1969 1970 CONECT 1957 1956 1958 CONECT 1958 1957 1959 1962 1968 CONECT 1959 1955 1958 1960 1967 CONECT 1960 1959 1961 1965 1966 CONECT 1961 1960 1962 1963 1964 CONECT 1962 1958 1961 CONECT 1963 1961 CONECT 1964 1961 CONECT 1965 1960 CONECT 1966 1960 CONECT 1967 1959 CONECT 1968 1958 CONECT 1969 1956 CONECT 1970 1956 CONECT 1971 1955 CONECT 1972 1951 CONECT 1973 1936 CONECT 1974 1935 1975 CONECT 1975 1974 CONECT 1976 1935 CONECT 1977 1934 CONECT 1978 1934 CONECT 1979 1933 1980 1999 2000 CONECT 1980 1979 1981 1985 CONECT 1981 1980 1982 1998 CONECT 1982 1981 1983 1997 CONECT 1983 1982 1984 1988 CONECT 1984 1983 1985 1987 CONECT 1985 1980 1984 1986 CONECT 1986 1985 CONECT 1987 1984 CONECT 1988 1983 1989 1994 1996 CONECT 1989 1988 1990 1992 1993 CONECT 1990 1989 1991 CONECT 1991 1990 CONECT 1992 1989 CONECT 1993 1989 CONECT 1994 1988 1995 CONECT 1995 1994 CONECT 1996 1988 CONECT 1997 1982 CONECT 1998 1981 CONECT 1999 1979 CONECT 2000 1979 CONECT 2001 1932 CONECT 2002 1932 CONECT 2003 1931 2004 2008 2009 CONECT 2004 2003 2005 2006 2007 CONECT 2005 2004 CONECT 2006 2004 CONECT 2007 2004 CONECT 2008 2003 CONECT 2009 2003 CONECT 2010 1931 CONECT 2011 1930 2012 2013 2014 CONECT 2012 2011 CONECT 2013 2011 CONECT 2014 2011 CONECT 2015 1930 CONECT 2016 1930 MASTER 0 0 0 0 0 0 0 0 2014 2 93 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
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Related entries of code: 6oy2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1eby
RCSB PDB
PDBbind
99aa, >1EBY_1|Chains... at 90%
1hxw
RCSB PDB
PDBbind
99aa, >1HXW_1|Chains... at 90%
1izh
RCSB PDB
PDBbind
99aa, >1IZH_1|Chains... at 90%
1k6c
RCSB PDB
PDBbind
99aa, >1K6C_1|Chains... at 91%
1k6p
RCSB PDB
PDBbind
99aa, >1K6P_1|Chains... at 91%
1k6t
RCSB PDB
PDBbind
99aa, >1K6T_1|Chains... at 91%
1k6v
RCSB PDB
PDBbind
99aa, >1K6V_1|Chains... at 91%
1pro
RCSB PDB
PDBbind
99aa, >1PRO_1|Chains... at 90%
1sbg
RCSB PDB
PDBbind
99aa, >1SBG_1|Chains... at 90%
1t7j
RCSB PDB
PDBbind
99aa, >1T7J_1|Chains... at 91%
1vij
RCSB PDB
PDBbind
99aa, >1VIJ_1|Chains... at 90%
1vik
RCSB PDB
PDBbind
99aa, >1VIK_1|Chains... at 90%
1zp8
RCSB PDB
PDBbind
99aa, >1ZP8_1|Chain... at 90%
1zpa
RCSB PDB
PDBbind
99aa, >1ZPA_1|Chain... at 90%
2az8
RCSB PDB
PDBbind
99aa, >2AZ8_1|Chain... at 91%
2az9
RCSB PDB
PDBbind
99aa, >2AZ9_1|Chain... at 90%
2i4d
RCSB PDB
PDBbind
99aa, >2I4D_1|Chains... at 90%
2i4u
RCSB PDB
PDBbind
99aa, >2I4U_1|Chains... at 90%
2i4w
RCSB PDB
PDBbind
99aa, >2I4W_1|Chains... at 90%
2o4k
RCSB PDB
PDBbind
99aa, >2O4K_1|Chains... at 90%
2o4p
RCSB PDB
PDBbind
99aa, >2O4P_1|Chains... at 90%
2o4s
RCSB PDB
PDBbind
99aa, >2O4S_1|Chains... at 90%
2p3b
RCSB PDB
PDBbind
99aa, >2P3B_2|Chain... at 90%
3ekp
RCSB PDB
PDBbind
99aa, >3EKP_1|Chains... at 90%
3ekq
RCSB PDB
PDBbind
99aa, >3EKQ_1|Chains... at 90%
3ekt
RCSB PDB
PDBbind
99aa, >3EKT_1|Chains... at 90%
3ekw
RCSB PDB
PDBbind
99aa, >3EKW_1|Chains... at 90%
3el0
RCSB PDB
PDBbind
99aa, >3EL0_1|Chains... at 90%
3el4
RCSB PDB
PDBbind
99aa, >3EL4_1|Chains... at 92%
3el5
RCSB PDB
PDBbind
99aa, >3EL5_1|Chains... at 91%
3kfn
RCSB PDB
PDBbind
99aa, >3KFN_1|Chains... at 91%
3m9f
RCSB PDB
PDBbind
99aa, >3M9F_1|Chains... at 90%
3tlh
RCSB PDB
PDBbind
99aa, >3TLH_1|Chain... at 90%
4eqj
RCSB PDB
PDBbind
203aa, >4EQJ_1|Chain... *
4ll3
RCSB PDB
PDBbind
99aa, >4LL3_1|Chains... at 90%
4phv
RCSB PDB
PDBbind
99aa, >4PHV_1|Chains... at 90%
5hvp
RCSB PDB
PDBbind
99aa, >5HVP_1|Chains... at 90%
5ivs
RCSB PDB
PDBbind
99aa, >5IVS_1|Chains... at 90%
6dgx
RCSB PDB
PDBbind
99aa, >6DGX_1|Chains... at 91%
6dgy
RCSB PDB
PDBbind
99aa, >6DGY_1|Chains... at 91%
6dgz
RCSB PDB
PDBbind
99aa, >6DGZ_1|Chains... at 91%
6dh0
RCSB PDB
PDBbind
99aa, >6DH0_1|Chains... at 90%
6dh1
RCSB PDB
PDBbind
99aa, >6DH1_1|Chains... at 90%
6dh2
RCSB PDB
PDBbind
99aa, >6DH2_1|Chains... at 90%
6dh3
RCSB PDB
PDBbind
99aa, >6DH3_1|Chains... at 90%
6dh4
RCSB PDB
PDBbind
99aa, >6DH4_1|Chains... at 90%
6dh5
RCSB PDB
PDBbind
99aa, >6DH5_1|Chains... at 90%
6dh6
RCSB PDB
PDBbind
99aa, >6DH6_1|Chains... at 90%
6dh7
RCSB PDB
PDBbind
99aa, >6DH7_1|Chains... at 90%
6dh8
RCSB PDB
PDBbind
99aa, >6DH8_1|Chains... at 90%
9hvp
RCSB PDB
PDBbind
99aa, >9HVP_1|Chains... at 90%
6oy0
RCSB PDB
PDBbind
99aa, >6OY0_1|Chains... at 91%
6oxz
RCSB PDB
PDBbind
99aa, >6OXZ_1|Chains... at 91%
6oxy
RCSB PDB
PDBbind
99aa, >6OXY_1|Chains... at 91%
6oxx
RCSB PDB
PDBbind
99aa, >6OXX_1|Chains... at 91%
6oxw
RCSB PDB
PDBbind
99aa, >6OXW_1|Chains... at 91%
6oxv
RCSB PDB
PDBbind
99aa, >6OXV_1|Chains... at 91%
6oxu
RCSB PDB
PDBbind
99aa, >6OXU_1|Chains... at 91%
6oxt
RCSB PDB
PDBbind
99aa, >6OXT_1|Chains... at 91%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
99aa, >6OXR_1|Chains... at 91%
6oxq
RCSB PDB
PDBbind
99aa, >6OXQ_1|Chains... at 91%
6oxp
RCSB PDB
PDBbind
99aa, >6OXP_1|Chains... at 91%
6oou
RCSB PDB
PDBbind
99aa, >6OOU_1|Chains... at 90%
6oos
RCSB PDB
PDBbind
99aa, >6OOS_1|Chains... at 90%
6oy1
RCSB PDB
PDBbind
99aa, >6OY1_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6oy2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV-1 Protease NL4-3 WT
Ligand Name
NJJ
EC.Number
E.C.-.-.-.-
Resolution
1.99(Å)
Affinity (Kd/Ki/IC50)
Ki=0.134nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 8062-8079
Ligand Properties
Formula
C
3
1
H
4
4
N
2
O
9
S
Molecular Weight
620.754
Exact Mass
620.277
No. of atoms
87
No. of bonds
90
Polar Surface Area
163.24
LOGP Value
2.80 (
Computed with XLOGP3
)
4.07 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 4
Canonical SMILES
CCC(CN(S(=O)(=O)c1ccc(cc1)[C@@H](CO)O)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)O)CC
InChI String
InChI=1S/C31H44N2O9S/c1-3-21(4-2)17-33(43(38,39)24-12-10-23(11-13-24)28(36)19-34)18-27(35)26(16-22-8-6-5-7-9-22)32-31(37)42-29-20-41-30-25(29)14-15-40-30/h5-13,21,25-30,34-36H,3-4,14-20H2,1-2H3,(H,32,37)/t25-,26-,27+,28+,29-,30+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P12497
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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