Browse entries in the PDBbind-CN Database
HEADER 4M8Y_COMPLEX COMPND 4M8Y_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 100 PRO GLN ILE THR LEU TRP GLN ARG PRO PHE VAL THR VAL SEQRES 2 A 100 LYS ILE ALA GLY GLN LEU MET GLU ALA LEU LEU ASP THR SEQRES 3 A 100 GLY ALA ASP ASP THR ILE LEU GLU GLU GLU MET SER LEU SEQRES 4 A 100 PRO GLY ARG TRP THR PRO LYS VAL VAL GLY GLY ILE GLY SEQRES 5 A 100 GLY PHE MET LYS VAL ARG GLN TYR ASP GLN ILE LEU VAL SEQRES 6 A 100 GLU ILE CYS GLY HIS LYS VAL ILE GLY THR VAL LEU VAL SEQRES 7 A 100 GLY PRO THR PRO ALA ASN ILE ILE GLY ARG ASN LEU LEU SEQRES 8 A 100 THR GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 100 PRO GLN ILE THR LEU TRP GLN ARG PRO PHE VAL THR VAL SEQRES 2 B 100 LYS ILE ALA GLY GLN LEU MET GLU ALA LEU LEU ASP THR SEQRES 3 B 100 GLY ALA ASP ASP THR ILE LEU GLU GLU GLU MET SER LEU SEQRES 4 B 100 PRO GLY ARG TRP THR PRO LYS VAL VAL GLY GLY ILE GLY SEQRES 5 B 100 GLY PHE MET LYS VAL ARG GLN TYR ASP GLN ILE LEU VAL SEQRES 6 B 100 GLU ILE CYS GLY HIS LYS VAL ILE GLY THR VAL LEU VAL SEQRES 7 B 100 GLY PRO THR PRO ALA ASN ILE ILE GLY ARG ASN LEU LEU SEQRES 8 B 100 THR GLN ILE GLY CYS THR LEU ASN PHE HET KGQ A 280 98 ATOM 1 N PRO A 1 9.186 62.056 0.556 1.00 38.20 N ATOM 2 CA PRO A 1 9.110 62.245 2.007 1.00 38.66 C ATOM 3 C PRO A 1 8.785 60.947 2.756 1.00 39.74 C ATOM 4 O PRO A 1 8.200 60.018 2.180 1.00 40.14 O ATOM 5 CB PRO A 1 7.948 63.241 2.170 1.00 39.64 C ATOM 6 CG PRO A 1 7.821 63.924 0.846 1.00 38.89 C ATOM 7 CD PRO A 1 8.214 62.895 -0.172 1.00 38.51 C ATOM 8 HN2 PRO A 1 8.995 61.057 0.338 1.00 0.00 H ATOM 9 HN1 PRO A 1 10.145 62.301 0.237 1.00 0.00 H ATOM 10 N GLN A 2 9.169 60.884 4.027 1.00 38.74 N ATOM 11 CA GLN A 2 8.718 59.814 4.911 1.00 40.23 C ATOM 12 C GLN A 2 7.742 60.415 5.910 1.00 40.02 C ATOM 13 O GLN A 2 8.058 61.416 6.541 1.00 43.11 O ATOM 14 CB GLN A 2 9.893 59.134 5.624 1.00 41.13 C ATOM 15 CG GLN A 2 9.467 57.923 6.443 1.00 42.60 C ATOM 16 CD GLN A 2 10.612 57.244 7.178 1.00 44.77 C ATOM 17 OE1 GLN A 2 11.352 57.886 7.918 1.00 46.47 O ATOM 18 NE2 GLN A 2 10.747 55.932 6.990 1.00 42.79 N ATOM 19 HE22 GLN A 2 10.097 55.428 6.353 1.00 0.00 H ATOM 20 HE21 GLN A 2 11.503 55.412 7.480 1.00 0.00 H ATOM 21 H GLN A 2 9.807 61.616 4.401 1.00 0.00 H ATOM 22 N ILE A 3 6.565 59.800 6.045 1.00 39.62 N ATOM 23 CA ILE A 3 5.433 60.386 6.770 1.00 39.06 C ATOM 24 C ILE A 3 4.928 59.432 7.860 1.00 38.61 C ATOM 25 O ILE A 3 4.562 58.304 7.556 1.00 39.10 O ATOM 26 CB ILE A 3 4.302 60.739 5.765 1.00 41.93 C ATOM 27 CG1 ILE A 3 4.729 61.914 4.879 1.00 42.82 C ATOM 28 CG2 ILE A 3 2.981 61.066 6.451 1.00 41.29 C ATOM 29 CD1 ILE A 3 3.831 62.130 3.675 1.00 46.19 C ATOM 30 H ILE A 3 6.445 58.860 5.616 1.00 0.00 H ATOM 31 N THR A 4 4.909 59.875 9.123 1.00 36.49 N ATOM 32 CA THR A 4 4.342 59.055 10.211 1.00 35.11 C ATOM 33 C THR A 4 2.820 59.229 10.284 1.00 33.11 C ATOM 34 O THR A 4 2.248 60.035 9.555 1.00 32.40 O ATOM 35 CB THR A 4 4.957 59.353 11.609 1.00 36.77 C ATOM 36 OG1 THR A 4 4.600 60.675 12.028 1.00 36.61 O ATOM 37 CG2 THR A 4 6.488 59.165 11.620 1.00 35.17 C ATOM 38 HG1 THR A 4 4.945 61.332 11.373 1.00 0.00 H ATOM 39 H THR A 4 5.301 60.813 9.341 1.00 0.00 H ATOM 40 N LEU A 5 2.175 58.497 11.190 1.00 30.27 N ATOM 41 CA LEU A 5 0.733 58.327 11.124 1.00 28.67 C ATOM 42 C LEU A 5 -0.017 58.793 12.375 1.00 27.61 C ATOM 43 O LEU A 5 -1.192 58.461 12.571 1.00 27.23 O ATOM 44 CB LEU A 5 0.387 56.875 10.722 1.00 28.19 C ATOM 45 CG LEU A 5 0.774 56.451 9.285 1.00 27.40 C ATOM 46 CD1 LEU A 5 0.643 54.957 9.076 1.00 26.61 C ATOM 47 CD2 LEU A 5 -0.052 57.180 8.231 1.00 27.49 C ATOM 48 H LEU A 5 2.711 58.040 11.956 1.00 0.00 H ATOM 49 N TRP A 6 0.657 59.602 13.193 1.00 28.50 N ATOM 50 CA TRP A 6 0.042 60.269 14.371 1.00 28.62 C ATOM 51 C TRP A 6 -0.994 61.290 13.984 1.00 29.19 C ATOM 52 O TRP A 6 -1.839 61.668 14.792 1.00 32.13 O ATOM 53 CB TRP A 6 1.111 60.900 15.268 1.00 27.82 C ATOM 54 CG TRP A 6 2.139 59.910 15.753 1.00 28.32 C ATOM 55 CD1 TRP A 6 3.370 59.619 15.181 1.00 26.76 C ATOM 56 CD2 TRP A 6 2.043 59.020 16.934 1.00 28.42 C ATOM 57 NE1 TRP A 6 4.032 58.652 15.906 1.00 28.83 N ATOM 58 CE2 TRP A 6 3.285 58.242 16.963 1.00 28.11 C ATOM 59 CE3 TRP A 6 1.092 58.814 17.931 1.00 30.38 C ATOM 60 CZ2 TRP A 6 3.547 57.299 17.955 1.00 29.56 C ATOM 61 CZ3 TRP A 6 1.357 57.852 18.919 1.00 31.84 C ATOM 62 CH2 TRP A 6 2.565 57.113 18.930 1.00 29.32 C ATOM 63 HE1 TRP A 6 4.977 58.285 15.674 1.00 0.00 H ATOM 64 H TRP A 6 1.664 59.775 12.997 1.00 0.00 H ATOM 65 N GLN A 7 -0.957 61.734 12.736 1.00 29.27 N ATOM 66 CA GLN A 7 -2.006 62.597 12.177 1.00 29.55 C ATOM 67 C GLN A 7 -2.470 62.021 10.846 1.00 28.05 C ATOM 68 O GLN A 7 -1.712 61.286 10.214 1.00 27.07 O ATOM 69 CB GLN A 7 -1.451 64.014 11.958 1.00 32.47 C ATOM 70 CG GLN A 7 -1.470 64.843 13.247 1.00 37.01 C ATOM 71 CD GLN A 7 -0.938 66.255 13.058 1.00 38.98 C ATOM 72 OE1 GLN A 7 0.066 66.472 12.354 1.00 34.40 O ATOM 73 NE2 GLN A 7 -1.620 67.232 13.686 1.00 39.19 N ATOM 74 HE22 GLN A 7 -2.453 66.997 14.263 1.00 0.00 H ATOM 75 HE21 GLN A 7 -1.314 68.222 13.594 1.00 0.00 H ATOM 76 H GLN A 7 -0.156 61.462 12.131 1.00 0.00 H ATOM 77 N ARG A 8 -3.683 62.356 10.401 1.00 27.65 N ATOM 78 CA ARG A 8 -4.177 61.852 9.104 1.00 28.20 C ATOM 79 C ARG A 8 -3.187 62.266 8.014 1.00 25.64 C ATOM 80 O ARG A 8 -2.741 63.399 8.021 1.00 26.80 O ATOM 81 CB ARG A 8 -5.570 62.396 8.798 1.00 29.60 C ATOM 82 CG ARG A 8 -6.598 61.994 9.826 1.00 32.32 C ATOM 83 CD ARG A 8 -7.929 62.716 9.695 1.00 36.12 C ATOM 84 NE ARG A 8 -8.667 62.505 10.937 1.00 44.54 N ATOM 85 CZ ARG A 8 -9.777 63.135 11.314 1.00 48.94 C ATOM 86 NH1 ARG A 8 -10.322 62.824 12.485 1.00 50.41 N ATOM 87 NH2 ARG A 8 -10.352 64.054 10.535 1.00 51.47 N ATOM 88 HE ARG A 8 -8.288 61.792 11.592 1.00 0.00 H ATOM 89 HH12 ARG A 8 -11.189 63.304 12.799 1.00 0.00 H ATOM 90 HH11 ARG A 8 -9.881 62.100 13.088 1.00 0.00 H ATOM 91 HH22 ARG A 8 -11.219 64.534 10.850 1.00 0.00 H ATOM 92 HH21 ARG A 8 -9.933 64.290 9.613 1.00 0.00 H ATOM 93 H ARG A 8 -4.287 62.979 10.974 1.00 0.00 H ATOM 94 N PRO A 9 -2.804 61.343 7.108 1.00 24.87 N ATOM 95 CA PRO A 9 -1.839 61.673 6.019 1.00 24.87 C ATOM 96 C PRO A 9 -2.424 62.435 4.792 1.00 25.24 C ATOM 97 O PRO A 9 -2.495 61.884 3.674 1.00 24.78 O ATOM 98 CB PRO A 9 -1.324 60.304 5.602 1.00 24.47 C ATOM 99 CG PRO A 9 -2.478 59.382 5.883 1.00 23.95 C ATOM 100 CD PRO A 9 -3.124 59.905 7.137 1.00 23.83 C ATOM 101 N PHE A 10 -2.845 63.681 5.020 1.00 24.87 N ATOM 102 CA PHE A 10 -3.294 64.588 3.960 1.00 24.47 C ATOM 103 C PHE A 10 -2.115 65.196 3.193 1.00 25.58 C ATOM 104 O PHE A 10 -1.133 65.632 3.809 1.00 27.85 O ATOM 105 CB PHE A 10 -4.147 65.723 4.547 1.00 24.56 C ATOM 106 CG PHE A 10 -5.598 65.359 4.762 1.00 24.98 C ATOM 107 CD1 PHE A 10 -6.470 65.260 3.684 1.00 24.34 C ATOM 108 CD2 PHE A 10 -6.095 65.130 6.047 1.00 25.90 C ATOM 109 CE1 PHE A 10 -7.803 64.932 3.873 1.00 25.29 C ATOM 110 CE2 PHE A 10 -7.423 64.795 6.247 1.00 24.70 C ATOM 111 CZ PHE A 10 -8.279 64.705 5.160 1.00 26.58 C ATOM 112 H PHE A 10 -2.855 64.026 6.001 1.00 0.00 H ATOM 113 N VAL A 11 -2.210 65.204 1.858 1.00 23.79 N ATOM 114 CA VAL A 11 -1.310 65.972 0.995 1.00 22.94 C ATOM 115 C VAL A 11 -2.082 66.962 0.118 1.00 23.69 C ATOM 116 O VAL A 11 -3.265 66.787 -0.138 1.00 24.76 O ATOM 117 CB VAL A 11 -0.432 65.070 0.074 1.00 21.93 C ATOM 118 CG1 VAL A 11 0.628 64.327 0.892 1.00 20.74 C ATOM 119 CG2 VAL A 11 -1.289 64.108 -0.751 1.00 20.55 C ATOM 120 H VAL A 11 -2.959 64.637 1.412 1.00 0.00 H ATOM 121 N THR A 12 -1.399 67.989 -0.371 1.00 25.05 N ATOM 122 CA THR A 12 -2.008 68.943 -1.275 1.00 26.25 C ATOM 123 C THR A 12 -1.951 68.378 -2.676 1.00 26.66 C ATOM 124 O THR A 12 -0.890 67.957 -3.141 1.00 29.14 O ATOM 125 CB THR A 12 -1.336 70.330 -1.173 1.00 27.99 C ATOM 126 OG1 THR A 12 -1.569 70.851 0.139 1.00 28.64 O ATOM 127 CG2 THR A 12 -1.961 71.285 -2.146 1.00 29.96 C ATOM 128 HG1 THR A 12 -1.181 70.236 0.811 1.00 0.00 H ATOM 129 H THR A 12 -0.403 68.112 -0.099 1.00 0.00 H ATOM 130 N VAL A 13 -3.105 68.297 -3.326 1.00 27.03 N ATOM 131 CA VAL A 13 -3.143 67.852 -4.714 1.00 27.93 C ATOM 132 C VAL A 13 -3.756 68.904 -5.637 1.00 27.69 C ATOM 133 O VAL A 13 -4.526 69.763 -5.195 1.00 28.52 O ATOM 134 CB VAL A 13 -3.769 66.436 -4.921 1.00 28.41 C ATOM 135 CG1 VAL A 13 -3.323 65.454 -3.832 1.00 27.96 C ATOM 136 CG2 VAL A 13 -5.262 66.507 -5.003 1.00 28.08 C ATOM 137 H VAL A 13 -3.989 68.553 -2.842 1.00 0.00 H ATOM 138 N LYS A 14 -3.372 68.836 -6.910 1.00 27.25 N ATOM 139 CA LYS A 14 -3.828 69.736 -7.926 1.00 28.22 C ATOM 140 C LYS A 14 -4.362 68.912 -9.087 1.00 30.30 C ATOM 141 O LYS A 14 -3.650 68.092 -9.680 1.00 29.32 O ATOM 142 CB LYS A 14 -2.690 70.651 -8.362 1.00 30.27 C ATOM 143 CG LYS A 14 -3.040 71.638 -9.461 1.00 30.87 C ATOM 144 CD LYS A 14 -1.786 72.376 -9.890 1.00 34.85 C ATOM 145 CE LYS A 14 -2.066 73.347 -11.028 1.00 39.80 C ATOM 146 NZ LYS A 14 -0.775 73.768 -11.651 1.00 42.49 N ATOM 147 HZ1 LYS A 14 -0.181 74.233 -10.935 1.00 0.00 H ATOM 148 HZ2 LYS A 14 -0.281 72.931 -12.022 1.00 0.00 H ATOM 149 HZ3 LYS A 14 -0.967 74.431 -12.429 1.00 0.00 H ATOM 150 H LYS A 14 -2.703 68.087 -7.182 1.00 0.00 H ATOM 151 N ILE A 15 -5.640 69.137 -9.387 1.00 32.16 N ATOM 152 CA ILE A 15 -6.382 68.355 -10.346 1.00 32.66 C ATOM 153 C ILE A 15 -7.214 69.326 -11.168 1.00 34.87 C ATOM 154 O ILE A 15 -8.087 70.010 -10.632 1.00 37.49 O ATOM 155 CB ILE A 15 -7.292 67.316 -9.651 1.00 33.57 C ATOM 156 CG1 ILE A 15 -6.479 66.455 -8.675 1.00 35.22 C ATOM 157 CG2 ILE A 15 -7.951 66.412 -10.686 1.00 35.16 C ATOM 158 CD1 ILE A 15 -7.293 65.557 -7.756 1.00 37.30 C ATOM 159 H ILE A 15 -6.129 69.918 -8.904 1.00 0.00 H ATOM 160 N ALA A 16 -6.903 69.391 -12.463 1.00 36.63 N ATOM 161 CA ALA A 16 -7.518 70.301 -13.434 1.00 34.28 C ATOM 162 C ALA A 16 -7.601 71.733 -12.919 1.00 33.20 C ATOM 163 O ALA A 16 -8.680 72.335 -12.884 1.00 33.41 O ATOM 164 CB ALA A 16 -8.893 69.774 -13.865 1.00 38.20 C ATOM 165 H ALA A 16 -6.166 68.745 -12.812 1.00 0.00 H ATOM 166 N GLY A 17 -6.455 72.265 -12.500 1.00 31.68 N ATOM 167 CA GLY A 17 -6.349 73.643 -12.039 1.00 28.32 C ATOM 168 C GLY A 17 -6.904 73.937 -10.664 1.00 28.69 C ATOM 169 O GLY A 17 -6.700 75.035 -10.153 1.00 29.24 O ATOM 170 H GLY A 17 -5.600 71.673 -12.502 1.00 0.00 H ATOM 171 N GLN A 18 -7.626 72.977 -10.067 1.00 29.03 N ATOM 172 CA GLN A 18 -8.140 73.093 -8.684 1.00 26.81 C ATOM 173 C GLN A 18 -7.205 72.462 -7.650 1.00 25.60 C ATOM 174 O GLN A 18 -6.613 71.397 -7.888 1.00 25.41 O ATOM 175 CB GLN A 18 -9.530 72.452 -8.561 1.00 27.66 C ATOM 176 CG GLN A 18 -10.583 73.083 -9.456 1.00 29.49 C ATOM 177 CD GLN A 18 -11.678 72.110 -9.855 1.00 30.09 C ATOM 178 OE1 GLN A 18 -12.613 71.886 -9.100 1.00 33.01 O ATOM 179 NE2 GLN A 18 -11.555 71.516 -11.040 1.00 29.39 N ATOM 180 HE22 GLN A 18 -10.743 71.737 -11.651 1.00 0.00 H ATOM 181 HE21 GLN A 18 -12.271 70.831 -11.355 1.00 0.00 H ATOM 182 H GLN A 18 -7.835 72.110 -10.602 1.00 0.00 H ATOM 183 N LEU A 19 -7.112 73.110 -6.492 1.00 25.31 N ATOM 184 CA LEU A 19 -6.303 72.629 -5.364 1.00 25.90 C ATOM 185 C LEU A 19 -7.194 72.044 -4.274 1.00 25.89 C ATOM 186 O LEU A 19 -8.299 72.516 -4.046 1.00 26.44 O ATOM 187 CB LEU A 19 -5.458 73.768 -4.774 1.00 24.73 C ATOM 188 CG LEU A 19 -4.776 74.705 -5.770 1.00 25.11 C ATOM 189 CD1 LEU A 19 -4.185 75.909 -5.045 1.00 25.01 C ATOM 190 CD2 LEU A 19 -3.701 73.968 -6.549 1.00 25.69 C ATOM 191 H LEU A 19 -7.638 74.000 -6.380 1.00 0.00 H ATOM 192 N MET A 20 -6.710 71.012 -3.605 1.00 26.74 N ATOM 193 CA MET A 20 -7.456 70.372 -2.522 1.00 28.11 C ATOM 194 C MET A 20 -6.485 69.543 -1.692 1.00 26.26 C ATOM 195 O MET A 20 -5.386 69.261 -2.137 1.00 25.28 O ATOM 196 CB MET A 20 -8.588 69.489 -3.079 1.00 29.44 C ATOM 197 CG MET A 20 -8.082 68.269 -3.834 1.00 32.70 C ATOM 198 SD MET A 20 -9.175 67.715 -5.153 1.00 36.49 S ATOM 199 CE MET A 20 -9.047 69.119 -6.269 1.00 34.78 C ATOM 200 H MET A 20 -5.770 70.644 -3.856 1.00 0.00 H ATOM 201 N GLU A 21 -6.875 69.198 -0.470 1.00 26.28 N ATOM 202 CA GLU A 21 -6.134 68.221 0.306 1.00 26.10 C ATOM 203 C GLU A 21 -6.793 66.847 0.183 1.00 24.00 C ATOM 204 O GLU A 21 -8.011 66.750 0.125 1.00 23.43 O ATOM 205 CB GLU A 21 -6.018 68.654 1.756 1.00 26.74 C ATOM 206 CG GLU A 21 -5.234 69.944 1.881 1.00 30.87 C ATOM 207 CD GLU A 21 -4.758 70.179 3.283 1.00 30.47 C ATOM 208 OE1 GLU A 21 -3.872 69.429 3.721 1.00 32.23 O ATOM 209 OE2 GLU A 21 -5.266 71.113 3.927 1.00 31.30 O ATOM 210 H GLU A 21 -7.726 69.636 -0.062 1.00 0.00 H ATOM 211 N ALA A 22 -5.974 65.800 0.109 1.00 22.84 N ATOM 212 CA ALA A 22 -6.464 64.438 -0.037 1.00 22.11 C ATOM 213 C ALA A 22 -5.709 63.444 0.843 1.00 24.09 C ATOM 214 O ALA A 22 -4.491 63.552 1.050 1.00 23.60 O ATOM 215 CB ALA A 22 -6.408 64.011 -1.486 1.00 20.92 C ATOM 216 H ALA A 22 -4.948 65.961 0.157 1.00 0.00 H ATOM 217 N LEU A 23 -6.451 62.468 1.353 1.00 24.87 N ATOM 218 CA LEU A 23 -5.910 61.474 2.253 1.00 26.36 C ATOM 219 C LEU A 23 -5.114 60.417 1.467 1.00 25.70 C ATOM 220 O LEU A 23 -5.612 59.865 0.499 1.00 27.57 O ATOM 221 CB LEU A 23 -7.087 60.859 3.024 1.00 28.22 C ATOM 222 CG LEU A 23 -6.970 60.218 4.403 1.00 30.39 C ATOM 223 CD1 LEU A 23 -6.240 61.124 5.400 1.00 30.75 C ATOM 224 CD2 LEU A 23 -8.366 59.881 4.894 1.00 27.28 C ATOM 225 H LEU A 23 -7.457 62.417 1.096 1.00 0.00 H ATOM 226 N LEU A 24 -3.865 60.168 1.855 1.00 25.11 N ATOM 227 CA LEU A 24 -3.104 59.042 1.296 1.00 24.68 C ATOM 228 C LEU A 24 -3.656 57.779 1.928 1.00 24.85 C ATOM 229 O LEU A 24 -3.487 57.549 3.120 1.00 26.21 O ATOM 230 CB LEU A 24 -1.598 59.177 1.582 1.00 24.46 C ATOM 231 CG LEU A 24 -0.849 60.369 0.982 1.00 23.92 C ATOM 232 CD1 LEU A 24 0.630 60.308 1.360 1.00 23.69 C ATOM 233 CD2 LEU A 24 -1.039 60.458 -0.537 1.00 22.46 C ATOM 234 H LEU A 24 -3.420 60.782 2.567 1.00 0.00 H ATOM 235 N ASP A 25 -4.366 56.979 1.145 1.00 25.01 N ATOM 236 CA ASP A 25 -5.238 55.971 1.732 1.00 23.89 C ATOM 237 C ASP A 25 -4.949 54.569 1.200 1.00 23.70 C ATOM 238 O ASP A 25 -5.494 54.159 0.167 1.00 21.69 O ATOM 239 CB ASP A 25 -6.706 56.381 1.534 1.00 25.14 C ATOM 240 CG ASP A 25 -7.685 55.453 2.240 1.00 26.24 C ATOM 241 OD1 ASP A 25 -7.255 54.429 2.809 1.00 26.69 O ATOM 242 OD2 ASP A 25 -8.894 55.746 2.220 1.00 25.78 O ATOM 243 H ASP A 25 -4.300 57.071 0.111 1.00 0.00 H ATOM 244 N THR A 26 -4.107 53.840 1.944 1.00 23.76 N ATOM 245 CA THR A 26 -3.675 52.475 1.581 1.00 24.41 C ATOM 246 C THR A 26 -4.826 51.454 1.611 1.00 24.95 C ATOM 247 O THR A 26 -4.720 50.397 0.996 1.00 24.86 O ATOM 248 CB THR A 26 -2.523 51.967 2.481 1.00 24.13 C ATOM 249 OG1 THR A 26 -2.892 52.097 3.862 1.00 25.53 O ATOM 250 CG2 THR A 26 -1.226 52.747 2.229 1.00 23.13 C ATOM 251 HG1 THR A 26 -3.706 51.561 4.037 1.00 0.00 H ATOM 252 H THR A 26 -3.738 54.257 2.823 1.00 0.00 H ATOM 253 N GLY A 27 -5.917 51.781 2.307 1.00 24.89 N ATOM 254 CA GLY A 27 -7.089 50.905 2.383 1.00 24.63 C ATOM 255 C GLY A 27 -8.100 51.138 1.271 1.00 25.86 C ATOM 256 O GLY A 27 -9.175 50.524 1.270 1.00 26.84 O ATOM 257 H GLY A 27 -5.936 52.689 2.813 1.00 0.00 H ATOM 258 N ALA A 28 -7.752 52.006 0.318 1.00 24.74 N ATOM 259 CA ALA A 28 -8.624 52.372 -0.797 1.00 23.93 C ATOM 260 C ALA A 28 -8.036 51.872 -2.110 1.00 24.58 C ATOM 261 O ALA A 28 -6.872 52.150 -2.411 1.00 24.75 O ATOM 262 CB ALA A 28 -8.793 53.879 -0.846 1.00 23.32 C ATOM 263 H ALA A 28 -6.811 52.445 0.372 1.00 0.00 H ATOM 264 N ASP A 29 -8.820 51.112 -2.880 1.00 25.54 N ATOM 265 CA ASP A 29 -8.370 50.621 -4.175 1.00 27.38 C ATOM 266 C ASP A 29 -8.344 51.808 -5.122 1.00 28.80 C ATOM 267 O ASP A 29 -7.442 51.946 -5.955 1.00 30.55 O ATOM 268 CB ASP A 29 -9.337 49.598 -4.788 1.00 29.76 C ATOM 269 CG ASP A 29 -9.605 48.399 -3.911 1.00 31.96 C ATOM 270 OD1 ASP A 29 -8.746 47.972 -3.104 1.00 33.75 O ATOM 271 OD2 ASP A 29 -10.715 47.859 -4.066 1.00 36.07 O ATOM 272 H ASP A 29 -9.774 50.865 -2.547 1.00 0.00 H ATOM 273 N ASP A 30 -9.358 52.653 -4.970 1.00 28.00 N ATOM 274 CA ASP A 30 -9.683 53.693 -5.909 1.00 28.72 C ATOM 275 C ASP A 30 -9.592 55.070 -5.264 1.00 28.02 C ATOM 276 O ASP A 30 -9.762 55.223 -4.059 1.00 27.33 O ATOM 277 CB ASP A 30 -11.104 53.479 -6.462 1.00 30.38 C ATOM 278 CG ASP A 30 -11.249 52.177 -7.234 1.00 31.84 C ATOM 279 OD1 ASP A 30 -10.234 51.611 -7.700 1.00 32.60 O ATOM 280 OD2 ASP A 30 -12.401 51.718 -7.380 1.00 34.93 O ATOM 281 H ASP A 30 -9.952 52.557 -4.122 1.00 0.00 H ATOM 282 N THR A 31 -9.327 56.061 -6.106 1.00 27.66 N ATOM 283 CA THR A 31 -9.238 57.463 -5.724 1.00 27.33 C ATOM 284 C THR A 31 -10.606 58.066 -5.883 1.00 27.15 C ATOM 285 O THR A 31 -11.203 57.918 -6.939 1.00 27.57 O ATOM 286 CB THR A 31 -8.224 58.181 -6.658 1.00 25.78 C ATOM 287 OG1 THR A 31 -6.913 57.684 -6.375 1.00 25.09 O ATOM 288 CG2 THR A 31 -8.244 59.691 -6.489 1.00 23.94 C ATOM 289 HG1 THR A 31 -6.889 56.708 -6.538 1.00 0.00 H ATOM 290 H THR A 31 -9.173 55.820 -7.106 1.00 0.00 H ATOM 291 N ILE A 32 -11.097 58.739 -4.840 1.00 29.29 N ATOM 292 CA ILE A 32 -12.418 59.410 -4.852 1.00 30.25 C ATOM 293 C ILE A 32 -12.333 60.854 -4.353 1.00 30.96 C ATOM 294 O ILE A 32 -11.658 61.119 -3.367 1.00 32.77 O ATOM 295 CB ILE A 32 -13.463 58.695 -3.966 1.00 29.39 C ATOM 296 CG1 ILE A 32 -13.450 57.185 -4.223 1.00 31.25 C ATOM 297 CG2 ILE A 32 -14.847 59.307 -4.197 1.00 29.40 C ATOM 298 CD1 ILE A 32 -14.303 56.368 -3.281 1.00 32.31 C ATOM 299 H ILE A 32 -10.523 58.795 -3.975 1.00 0.00 H ATOM 300 N LEU A 33 -13.055 61.766 -5.011 1.00 31.70 N ATOM 301 CA LEU A 33 -13.027 63.187 -4.661 1.00 35.17 C ATOM 302 C LEU A 33 -14.418 63.719 -4.328 1.00 34.93 C ATOM 303 O LEU A 33 -15.417 63.227 -4.842 1.00 34.27 O ATOM 304 CB LEU A 33 -12.378 64.030 -5.780 1.00 36.48 C ATOM 305 CG LEU A 33 -11.061 63.559 -6.429 1.00 37.40 C ATOM 306 CD1 LEU A 33 -10.737 64.448 -7.626 1.00 37.76 C ATOM 307 CD2 LEU A 33 -9.889 63.495 -5.451 1.00 36.26 C ATOM 308 H LEU A 33 -13.658 61.455 -5.799 1.00 0.00 H ATOM 309 N GLU A 34 -14.452 64.721 -3.449 1.00 37.12 N ATOM 310 CA GLU A 34 -15.683 65.321 -2.936 1.00 40.23 C ATOM 311 C GLU A 34 -16.663 65.728 -4.047 1.00 43.37 C ATOM 312 O GLU A 34 -16.264 65.964 -5.195 1.00 39.83 O ATOM 313 CB GLU A 34 -15.366 66.488 -1.993 1.00 43.49 C ATOM 314 CG GLU A 34 -15.068 66.051 -0.560 1.00 48.59 C ATOM 315 CD GLU A 34 -14.622 67.179 0.373 1.00 52.80 C ATOM 316 OE1 GLU A 34 -15.024 68.350 0.180 1.00 53.89 O ATOM 317 OE2 GLU A 34 -13.867 66.882 1.330 1.00 55.75 O ATOM 318 H GLU A 34 -13.546 65.100 -3.107 1.00 0.00 H ATOM 319 N GLU A 35 -17.946 65.782 -3.687 1.00 47.67 N ATOM 320 CA GLU A 35 -19.048 65.912 -4.656 1.00 50.85 C ATOM 321 C GLU A 35 -18.970 67.191 -5.518 1.00 51.26 C ATOM 322 O GLU A 35 -19.401 67.186 -6.676 1.00 53.01 O ATOM 323 CB GLU A 35 -20.404 65.738 -3.930 1.00 52.52 C ATOM 324 CG GLU A 35 -21.674 66.121 -4.688 1.00 57.33 C ATOM 325 CD GLU A 35 -22.077 65.160 -5.809 1.00 63.13 C ATOM 326 OE1 GLU A 35 -21.369 64.163 -6.097 1.00 60.22 O ATOM 327 OE2 GLU A 35 -23.135 65.419 -6.426 1.00 70.25 O ATOM 328 H GLU A 35 -18.179 65.730 -2.675 1.00 0.00 H ATOM 329 N GLU A 36 -18.374 68.252 -4.966 1.00 50.69 N ATOM 330 CA GLU A 36 -18.265 69.553 -5.646 1.00 50.06 C ATOM 331 C GLU A 36 -17.099 69.669 -6.640 1.00 46.04 C ATOM 332 O GLU A 36 -16.943 70.683 -7.304 1.00 45.57 O ATOM 333 CB GLU A 36 -18.212 70.702 -4.626 1.00 51.50 C ATOM 334 CG GLU A 36 -19.333 70.692 -3.596 1.00 54.23 C ATOM 335 CD GLU A 36 -18.950 69.987 -2.295 1.00 57.39 C ATOM 336 OE1 GLU A 36 -18.205 68.975 -2.327 1.00 54.02 O ATOM 337 OE2 GLU A 36 -19.406 70.456 -1.227 1.00 58.36 O ATOM 338 H GLU A 36 -17.969 68.154 -4.013 1.00 0.00 H ATOM 339 N MET A 37 -16.276 68.640 -6.742 1.00 47.43 N ATOM 340 CA MET A 37 -15.208 68.630 -7.734 1.00 49.59 C ATOM 341 C MET A 37 -15.810 68.627 -9.145 1.00 52.30 C ATOM 342 O MET A 37 -16.617 67.759 -9.491 1.00 51.93 O ATOM 343 CB MET A 37 -14.331 67.397 -7.531 1.00 52.13 C ATOM 344 CG MET A 37 -13.213 67.228 -8.539 1.00 52.24 C ATOM 345 SD MET A 37 -11.854 68.329 -8.134 1.00 56.66 S ATOM 346 CE MET A 37 -10.925 68.241 -9.665 1.00 51.43 C ATOM 347 H MET A 37 -16.392 67.826 -6.105 1.00 0.00 H ATOM 348 N SER A 38 -15.434 69.609 -9.954 1.00 54.13 N ATOM 349 CA SER A 38 -15.941 69.679 -11.315 1.00 55.78 C ATOM 350 C SER A 38 -14.875 69.191 -12.288 1.00 55.80 C ATOM 351 O SER A 38 -13.857 69.865 -12.501 1.00 53.48 O ATOM 352 CB SER A 38 -16.429 71.092 -11.659 1.00 60.46 C ATOM 353 OG SER A 38 -15.361 72.028 -11.641 1.00 66.16 O ATOM 354 HG SER A 38 -14.678 71.760 -12.306 1.00 0.00 H ATOM 355 H SER A 38 -14.772 70.334 -9.612 1.00 0.00 H ATOM 356 N LEU A 39 -15.110 68.000 -12.846 1.00 51.71 N ATOM 357 CA LEU A 39 -14.228 67.399 -13.841 1.00 50.94 C ATOM 358 C LEU A 39 -14.880 67.410 -15.226 1.00 51.80 C ATOM 359 O LEU A 39 -16.063 67.089 -15.356 1.00 53.02 O ATOM 360 CB LEU A 39 -13.845 65.964 -13.448 1.00 48.19 C ATOM 361 CG LEU A 39 -12.703 65.722 -12.447 1.00 46.69 C ATOM 362 CD1 LEU A 39 -12.422 64.234 -12.343 1.00 43.68 C ATOM 363 CD2 LEU A 39 -11.425 66.459 -12.827 1.00 44.43 C ATOM 364 H LEU A 39 -15.961 67.477 -12.558 1.00 0.00 H ATOM 365 N PRO A 40 -14.116 67.790 -16.264 1.00 52.21 N ATOM 366 CA PRO A 40 -14.696 67.825 -17.604 1.00 53.13 C ATOM 367 C PRO A 40 -14.675 66.463 -18.303 1.00 51.21 C ATOM 368 O PRO A 40 -13.874 65.599 -17.954 1.00 52.16 O ATOM 369 CB PRO A 40 -13.803 68.821 -18.341 1.00 54.41 C ATOM 370 CG PRO A 40 -12.486 68.769 -17.632 1.00 53.53 C ATOM 371 CD PRO A 40 -12.702 68.214 -16.257 1.00 52.64 C ATOM 372 N GLY A 41 -15.567 66.282 -19.270 1.00 49.40 N ATOM 373 CA GLY A 41 -15.573 65.084 -20.090 1.00 49.62 C ATOM 374 C GLY A 41 -16.726 64.129 -19.838 1.00 51.06 C ATOM 375 O GLY A 41 -17.632 64.403 -19.036 1.00 46.74 O ATOM 376 H GLY A 41 -16.280 67.018 -19.445 1.00 0.00 H ATOM 377 N ARG A 42 -16.689 63.002 -20.544 1.00 51.20 N ATOM 378 CA ARG A 42 -17.654 61.942 -20.322 1.00 54.27 C ATOM 379 C ARG A 42 -17.220 61.054 -19.146 1.00 56.61 C ATOM 380 O ARG A 42 -16.049 61.049 -18.730 1.00 55.27 O ATOM 381 CB ARG A 42 -17.886 61.114 -21.597 1.00 54.41 C ATOM 382 CG ARG A 42 -16.780 60.129 -21.948 1.00 57.88 C ATOM 383 CD ARG A 42 -17.206 59.158 -23.046 1.00 60.75 C ATOM 384 NE ARG A 42 -18.104 58.107 -22.553 1.00 63.81 N ATOM 385 CZ ARG A 42 -17.734 56.856 -22.273 1.00 65.91 C ATOM 386 NH1 ARG A 42 -16.472 56.474 -22.438 1.00 63.05 N ATOM 387 NH2 ARG A 42 -18.630 55.976 -21.829 1.00 63.45 N ATOM 388 HE ARG A 42 -19.104 58.356 -22.411 1.00 0.00 H ATOM 389 HH12 ARG A 42 -16.191 55.497 -22.218 1.00 0.00 H ATOM 390 HH11 ARG A 42 -15.765 57.152 -22.788 1.00 0.00 H ATOM 391 HH22 ARG A 42 -18.338 55.002 -21.612 1.00 0.00 H ATOM 392 HH21 ARG A 42 -19.621 56.263 -21.700 1.00 0.00 H ATOM 393 H ARG A 42 -15.954 62.879 -21.269 1.00 0.00 H ATOM 394 N TRP A 43 -18.184 60.311 -18.617 1.00 56.97 N ATOM 395 CA TRP A 43 -17.950 59.389 -17.524 1.00 54.60 C ATOM 396 C TRP A 43 -18.906 58.235 -17.595 1.00 57.54 C ATOM 397 O TRP A 43 -19.868 58.265 -18.369 1.00 57.65 O ATOM 398 CB TRP A 43 -18.078 60.111 -16.191 1.00 54.25 C ATOM 399 CG TRP A 43 -19.354 60.895 -16.022 1.00 54.11 C ATOM 400 CD1 TRP A 43 -19.597 62.216 -16.391 1.00 55.14 C ATOM 401 CD2 TRP A 43 -20.601 60.434 -15.400 1.00 55.89 C ATOM 402 NE1 TRP A 43 -20.875 62.594 -16.055 1.00 57.58 N ATOM 403 CE2 TRP A 43 -21.533 61.573 -15.458 1.00 58.32 C ATOM 404 CE3 TRP A 43 -21.027 59.237 -14.827 1.00 56.29 C ATOM 405 CZ2 TRP A 43 -22.828 61.491 -14.957 1.00 58.16 C ATOM 406 CZ3 TRP A 43 -22.336 59.168 -14.329 1.00 58.73 C ATOM 407 CH2 TRP A 43 -23.211 60.267 -14.392 1.00 56.85 C ATOM 408 HE1 TRP A 43 -21.280 63.535 -16.235 1.00 0.00 H ATOM 409 H TRP A 43 -19.146 60.394 -19.003 1.00 0.00 H ATOM 410 N THR A 44 -18.636 57.198 -16.804 1.00 55.21 N ATOM 411 CA THR A 44 -19.547 56.065 -16.687 1.00 55.29 C ATOM 412 C THR A 44 -20.066 55.916 -15.242 1.00 55.59 C ATOM 413 O THR A 44 -19.310 56.135 -14.284 1.00 54.35 O ATOM 414 CB THR A 44 -18.917 54.759 -17.233 1.00 53.64 C ATOM 415 OG1 THR A 44 -17.653 54.517 -16.607 1.00 54.02 O ATOM 416 CG2 THR A 44 -18.689 54.881 -18.735 1.00 56.56 C ATOM 417 HG1 THR A 44 -17.263 53.681 -16.965 1.00 0.00 H ATOM 418 H THR A 44 -17.752 57.196 -16.255 1.00 0.00 H ATOM 419 N PRO A 45 -21.368 55.579 -15.079 1.00 55.87 N ATOM 420 CA PRO A 45 -21.900 55.356 -13.731 1.00 51.21 C ATOM 421 C PRO A 45 -21.177 54.201 -13.056 1.00 47.71 C ATOM 422 O PRO A 45 -20.881 53.186 -13.698 1.00 48.84 O ATOM 423 CB PRO A 45 -23.362 54.975 -13.984 1.00 51.95 C ATOM 424 CG PRO A 45 -23.378 54.455 -15.388 1.00 55.72 C ATOM 425 CD PRO A 45 -22.394 55.329 -16.111 1.00 55.30 C ATOM 426 N LYS A 46 -20.848 54.381 -11.786 1.00 42.88 N ATOM 427 CA LYS A 46 -20.334 53.287 -10.986 1.00 43.57 C ATOM 428 C LYS A 46 -20.834 53.512 -9.568 1.00 41.86 C ATOM 429 O LYS A 46 -21.364 54.577 -9.235 1.00 41.44 O ATOM 430 CB LYS A 46 -18.797 53.213 -11.042 1.00 44.50 C ATOM 431 CG LYS A 46 -18.208 51.837 -10.750 1.00 47.27 C ATOM 432 CD LYS A 46 -16.688 51.890 -10.706 1.00 52.32 C ATOM 433 CE LYS A 46 -16.069 50.737 -9.922 1.00 55.20 C ATOM 434 NZ LYS A 46 -14.747 51.161 -9.371 1.00 55.02 N ATOM 435 HZ1 LYS A 46 -14.116 51.427 -10.154 1.00 0.00 H ATOM 436 HZ2 LYS A 46 -14.881 51.977 -8.740 1.00 0.00 H ATOM 437 HZ3 LYS A 46 -14.327 50.374 -8.837 1.00 0.00 H ATOM 438 H LYS A 46 -20.960 55.321 -11.356 1.00 0.00 H ATOM 439 N VAL A 47 -20.693 52.483 -8.747 1.00 40.45 N ATOM 440 CA VAL A 47 -21.060 52.549 -7.353 1.00 39.29 C ATOM 441 C VAL A 47 -19.829 52.007 -6.617 1.00 39.72 C ATOM 442 O VAL A 47 -19.117 51.144 -7.149 1.00 41.08 O ATOM 443 CB VAL A 47 -22.364 51.745 -7.087 1.00 39.89 C ATOM 444 CG1 VAL A 47 -22.805 51.892 -5.652 1.00 38.68 C ATOM 445 CG2 VAL A 47 -23.501 52.234 -7.986 1.00 37.54 C ATOM 446 H VAL A 47 -20.303 51.594 -9.121 1.00 0.00 H ATOM 447 N VAL A 48 -19.547 52.561 -5.437 1.00 37.02 N ATOM 448 CA VAL A 48 -18.376 52.186 -4.619 1.00 35.31 C ATOM 449 C VAL A 48 -18.865 51.709 -3.243 1.00 33.13 C ATOM 450 O VAL A 48 -19.848 52.223 -2.724 1.00 30.37 O ATOM 451 CB VAL A 48 -17.410 53.396 -4.451 1.00 36.15 C ATOM 452 CG1 VAL A 48 -16.240 53.073 -3.544 1.00 37.09 C ATOM 453 CG2 VAL A 48 -16.859 53.828 -5.792 1.00 38.42 C ATOM 454 H VAL A 48 -20.186 53.297 -5.073 1.00 0.00 H ATOM 455 N GLY A 49 -18.175 50.743 -2.647 1.00 31.62 N ATOM 456 CA GLY A 49 -18.610 50.211 -1.365 1.00 34.47 C ATOM 457 C GLY A 49 -17.653 50.434 -0.206 1.00 35.47 C ATOM 458 O GLY A 49 -16.436 50.426 -0.380 1.00 37.07 O ATOM 459 H GLY A 49 -17.319 50.365 -3.100 1.00 0.00 H ATOM 460 N GLY A 50 -18.200 50.595 0.993 1.00 33.76 N ATOM 461 CA GLY A 50 -17.367 50.883 2.148 1.00 34.34 C ATOM 462 C GLY A 50 -18.065 50.623 3.454 1.00 35.36 C ATOM 463 O GLY A 50 -19.014 49.846 3.513 1.00 37.08 O ATOM 464 H GLY A 50 -19.231 50.514 1.106 1.00 0.00 H ATOM 465 N ILE A 51 -17.586 51.284 4.504 1.00 35.80 N ATOM 466 CA ILE A 51 -18.195 51.202 5.821 1.00 36.13 C ATOM 467 C ILE A 51 -19.467 52.041 5.783 1.00 36.21 C ATOM 468 O ILE A 51 -19.419 53.232 5.499 1.00 40.66 O ATOM 469 CB ILE A 51 -17.186 51.671 6.907 1.00 36.46 C ATOM 470 CG1 ILE A 51 -16.161 50.553 7.145 1.00 35.78 C ATOM 471 CG2 ILE A 51 -17.890 52.045 8.210 1.00 35.38 C ATOM 472 CD1 ILE A 51 -15.210 50.779 8.290 1.00 35.82 C ATOM 473 H ILE A 51 -16.744 51.882 4.378 1.00 0.00 H ATOM 474 N GLY A 52 -20.607 51.429 6.037 1.00 36.17 N ATOM 475 CA GLY A 52 -21.873 52.162 5.911 1.00 36.67 C ATOM 476 C GLY A 52 -22.660 51.865 4.642 1.00 36.04 C ATOM 477 O GLY A 52 -23.802 52.307 4.485 1.00 36.87 O ATOM 478 H GLY A 52 -20.609 50.430 6.326 1.00 0.00 H ATOM 479 N GLY A 53 -22.065 51.123 3.719 1.00 33.51 N ATOM 480 CA GLY A 53 -22.820 50.723 2.544 1.00 33.15 C ATOM 481 C GLY A 53 -22.191 51.137 1.234 1.00 32.27 C ATOM 482 O GLY A 53 -20.979 51.027 1.048 1.00 32.81 O ATOM 483 H GLY A 53 -21.073 50.832 3.834 1.00 0.00 H ATOM 484 N PHE A 54 -23.020 51.606 0.317 1.00 31.25 N ATOM 485 CA PHE A 54 -22.561 51.964 -1.018 1.00 32.03 C ATOM 486 C PHE A 54 -22.849 53.419 -1.354 1.00 33.21 C ATOM 487 O PHE A 54 -23.738 54.040 -0.755 1.00 33.41 O ATOM 488 CB PHE A 54 -23.199 51.044 -2.064 1.00 31.60 C ATOM 489 CG PHE A 54 -24.689 51.221 -2.214 1.00 31.69 C ATOM 490 CD1 PHE A 54 -25.559 50.737 -1.257 1.00 31.70 C ATOM 491 CD2 PHE A 54 -25.214 51.852 -3.328 1.00 31.54 C ATOM 492 CE1 PHE A 54 -26.924 50.891 -1.399 1.00 32.76 C ATOM 493 CE2 PHE A 54 -26.574 52.006 -3.479 1.00 32.21 C ATOM 494 CZ PHE A 54 -27.433 51.528 -2.514 1.00 32.14 C ATOM 495 H PHE A 54 -24.026 51.722 0.555 1.00 0.00 H ATOM 496 N MET A 55 -22.104 53.968 -2.308 1.00 33.55 N ATOM 497 CA MET A 55 -22.436 55.299 -2.810 1.00 35.71 C ATOM 498 C MET A 55 -22.225 55.418 -4.322 1.00 34.90 C ATOM 499 O MET A 55 -21.354 54.761 -4.889 1.00 34.38 O ATOM 500 CB MET A 55 -21.702 56.381 -2.020 1.00 36.67 C ATOM 501 CG MET A 55 -20.260 56.578 -2.403 1.00 36.76 C ATOM 502 SD MET A 55 -19.772 58.211 -1.850 1.00 38.43 S ATOM 503 CE MET A 55 -18.156 58.260 -2.618 1.00 37.54 C ATOM 504 H MET A 55 -21.288 53.452 -2.695 1.00 0.00 H ATOM 505 N LYS A 56 -23.056 56.220 -4.978 1.00 36.50 N ATOM 506 CA LYS A 56 -22.966 56.346 -6.433 1.00 38.32 C ATOM 507 C LYS A 56 -21.902 57.372 -6.823 1.00 38.45 C ATOM 508 O LYS A 56 -21.807 58.435 -6.206 1.00 40.08 O ATOM 509 CB LYS A 56 -24.325 56.687 -7.034 1.00 40.19 C ATOM 510 CG LYS A 56 -25.365 55.595 -6.855 1.00 42.96 C ATOM 511 CD LYS A 56 -26.678 56.002 -7.503 1.00 45.43 C ATOM 512 CE LYS A 56 -27.698 54.872 -7.448 1.00 46.55 C ATOM 513 NZ LYS A 56 -28.985 55.273 -8.088 1.00 46.90 N ATOM 514 HZ1 LYS A 56 -29.376 56.098 -7.590 1.00 0.00 H ATOM 515 HZ2 LYS A 56 -28.814 55.517 -9.084 1.00 0.00 H ATOM 516 HZ3 LYS A 56 -29.659 54.482 -8.034 1.00 0.00 H ATOM 517 H LYS A 56 -23.774 56.761 -4.455 1.00 0.00 H ATOM 518 N VAL A 57 -21.088 57.039 -7.823 1.00 38.86 N ATOM 519 CA VAL A 57 -20.008 57.940 -8.276 1.00 39.85 C ATOM 520 C VAL A 57 -19.906 58.035 -9.807 1.00 41.73 C ATOM 521 O VAL A 57 -20.309 57.104 -10.531 1.00 39.28 O ATOM 522 CB VAL A 57 -18.619 57.509 -7.739 1.00 38.23 C ATOM 523 CG1 VAL A 57 -18.532 57.630 -6.223 1.00 38.43 C ATOM 524 CG2 VAL A 57 -18.277 56.103 -8.198 1.00 35.42 C ATOM 525 H VAL A 57 -21.216 56.122 -8.297 1.00 0.00 H ATOM 526 N ARG A 58 -19.350 59.155 -10.283 1.00 42.65 N ATOM 527 CA ARG A 58 -18.935 59.313 -11.694 1.00 40.58 C ATOM 528 C ARG A 58 -17.494 58.835 -11.861 1.00 38.10 C ATOM 529 O ARG A 58 -16.604 59.263 -11.138 1.00 39.06 O ATOM 530 CB ARG A 58 -19.013 60.775 -12.153 1.00 41.48 C ATOM 531 CG ARG A 58 -20.220 61.580 -11.686 1.00 49.08 C ATOM 532 CD ARG A 58 -19.885 63.069 -11.664 1.00 53.41 C ATOM 533 NE ARG A 58 -21.060 63.927 -11.498 1.00 57.89 N ATOM 534 CZ ARG A 58 -21.576 64.699 -12.459 1.00 68.62 C ATOM 535 NH1 ARG A 58 -21.019 64.740 -13.671 1.00 69.88 N ATOM 536 NH2 ARG A 58 -22.655 65.441 -12.211 1.00 66.94 N ATOM 537 HE ARG A 58 -21.525 63.936 -10.568 1.00 0.00 H ATOM 538 HH12 ARG A 58 -21.429 65.344 -14.411 1.00 0.00 H ATOM 539 HH11 ARG A 58 -20.175 64.168 -13.875 1.00 0.00 H ATOM 540 HH22 ARG A 58 -23.056 66.042 -12.959 1.00 0.00 H ATOM 541 HH21 ARG A 58 -23.096 65.419 -11.269 1.00 0.00 H ATOM 542 H ARG A 58 -19.203 59.951 -9.631 1.00 0.00 H ATOM 543 N GLN A 59 -17.262 57.951 -12.817 1.00 36.83 N ATOM 544 CA GLN A 59 -15.921 57.487 -13.101 1.00 38.32 C ATOM 545 C GLN A 59 -15.326 58.281 -14.275 1.00 41.02 C ATOM 546 O GLN A 59 -15.854 58.254 -15.396 1.00 39.80 O ATOM 547 CB GLN A 59 -15.914 55.968 -13.369 1.00 39.53 C ATOM 548 CG GLN A 59 -14.699 55.468 -14.152 1.00 41.82 C ATOM 549 CD GLN A 59 -14.421 53.982 -13.996 1.00 45.26 C ATOM 550 OE1 GLN A 59 -14.750 53.365 -12.977 1.00 45.73 O ATOM 551 NE2 GLN A 59 -13.783 53.397 -15.012 1.00 47.94 N ATOM 552 HE22 GLN A 59 -13.524 53.952 -15.852 1.00 0.00 H ATOM 553 HE21 GLN A 59 -13.545 52.386 -14.963 1.00 0.00 H ATOM 554 H GLN A 59 -18.058 57.582 -13.375 1.00 0.00 H ATOM 555 N TYR A 60 -14.230 58.989 -14.004 1.00 41.16 N ATOM 556 CA TYR A 60 -13.471 59.699 -15.040 1.00 39.26 C ATOM 557 C TYR A 60 -12.114 59.049 -15.248 1.00 38.92 C ATOM 558 O TYR A 60 -11.349 58.877 -14.294 1.00 38.30 O ATOM 559 CB TYR A 60 -13.253 61.146 -14.640 1.00 39.61 C ATOM 560 CG TYR A 60 -14.499 61.981 -14.499 1.00 39.90 C ATOM 561 CD1 TYR A 60 -14.991 62.709 -15.584 1.00 40.71 C ATOM 562 CD2 TYR A 60 -15.164 62.079 -13.274 1.00 37.63 C ATOM 563 CE1 TYR A 60 -16.119 63.500 -15.460 1.00 40.88 C ATOM 564 CE2 TYR A 60 -16.291 62.870 -13.137 1.00 39.53 C ATOM 565 CZ TYR A 60 -16.770 63.576 -14.237 1.00 42.62 C ATOM 566 OH TYR A 60 -17.891 64.378 -14.120 1.00 44.00 O ATOM 567 HH TYR A 60 -18.086 64.800 -14.994 1.00 0.00 H ATOM 568 H TYR A 60 -13.899 59.040 -13.019 1.00 0.00 H ATOM 569 N ASP A 61 -11.829 58.679 -16.494 1.00 38.51 N ATOM 570 CA ASP A 61 -10.571 58.020 -16.862 1.00 38.76 C ATOM 571 C ASP A 61 -9.475 59.018 -17.259 1.00 38.85 C ATOM 572 O ASP A 61 -9.756 60.149 -17.677 1.00 37.32 O ATOM 573 CB ASP A 61 -10.794 57.009 -18.005 1.00 41.67 C ATOM 574 CG ASP A 61 -11.593 55.778 -17.566 1.00 45.08 C ATOM 575 OD1 ASP A 61 -11.837 55.613 -16.348 1.00 45.74 O ATOM 576 OD2 ASP A 61 -11.975 54.969 -18.441 1.00 43.24 O ATOM 577 H ASP A 61 -12.529 58.865 -17.240 1.00 0.00 H ATOM 578 N GLN A 62 -8.225 58.587 -17.103 1.00 37.27 N ATOM 579 CA GLN A 62 -7.070 59.348 -17.550 1.00 36.77 C ATOM 580 C GLN A 62 -7.098 60.812 -17.141 1.00 34.05 C ATOM 581 O GLN A 62 -6.979 61.689 -17.979 1.00 34.20 O ATOM 582 CB GLN A 62 -6.938 59.210 -19.061 1.00 40.36 C ATOM 583 CG GLN A 62 -7.018 57.761 -19.500 1.00 43.91 C ATOM 584 CD GLN A 62 -7.430 57.631 -20.945 1.00 48.42 C ATOM 585 OE1 GLN A 62 -6.654 57.934 -21.852 1.00 49.58 O ATOM 586 NE2 GLN A 62 -8.661 57.179 -21.169 1.00 50.68 N ATOM 587 HE22 GLN A 62 -9.279 56.936 -20.369 1.00 0.00 H ATOM 588 HE21 GLN A 62 -9.005 57.068 -22.144 1.00 0.00 H ATOM 589 H GLN A 62 -8.068 57.668 -16.642 1.00 0.00 H ATOM 590 N ILE A 63 -7.272 61.051 -15.846 1.00 32.38 N ATOM 591 CA ILE A 63 -7.220 62.382 -15.242 1.00 32.21 C ATOM 592 C ILE A 63 -5.809 62.635 -14.716 1.00 30.35 C ATOM 593 O ILE A 63 -5.235 61.774 -14.047 1.00 30.07 O ATOM 594 CB ILE A 63 -8.240 62.529 -14.070 1.00 31.43 C ATOM 595 CG1 ILE A 63 -9.684 62.276 -14.542 1.00 32.52 C ATOM 596 CG2 ILE A 63 -8.128 63.880 -13.371 1.00 30.66 C ATOM 597 CD1 ILE A 63 -10.137 63.092 -15.741 1.00 32.76 C ATOM 598 H ILE A 63 -7.457 60.240 -15.222 1.00 0.00 H ATOM 599 N LEU A 64 -5.264 63.810 -15.032 1.00 28.08 N ATOM 600 CA LEU A 64 -3.966 64.229 -14.519 1.00 27.85 C ATOM 601 C LEU A 64 -4.118 64.747 -13.080 1.00 27.93 C ATOM 602 O LEU A 64 -4.899 65.664 -12.797 1.00 29.18 O ATOM 603 CB LEU A 64 -3.341 65.305 -15.419 1.00 26.56 C ATOM 604 CG LEU A 64 -2.025 65.960 -14.955 1.00 25.82 C ATOM 605 CD1 LEU A 64 -0.842 64.991 -15.041 1.00 24.86 C ATOM 606 CD2 LEU A 64 -1.739 67.197 -15.791 1.00 24.62 C ATOM 607 H LEU A 64 -5.783 64.450 -15.667 1.00 0.00 H ATOM 608 N VAL A 65 -3.359 64.143 -12.184 1.00 27.32 N ATOM 609 CA VAL A 65 -3.386 64.482 -10.776 1.00 26.33 C ATOM 610 C VAL A 65 -1.959 64.853 -10.418 1.00 26.47 C ATOM 611 O VAL A 65 -1.018 64.143 -10.778 1.00 25.22 O ATOM 612 CB VAL A 65 -3.877 63.287 -9.929 1.00 25.99 C ATOM 613 CG1 VAL A 65 -3.891 63.635 -8.452 1.00 26.48 C ATOM 614 CG2 VAL A 65 -5.265 62.813 -10.390 1.00 25.02 C ATOM 615 H VAL A 65 -2.714 63.392 -12.503 1.00 0.00 H ATOM 616 N GLU A 66 -1.792 65.985 -9.748 1.00 28.01 N ATOM 617 CA GLU A 66 -0.478 66.348 -9.224 1.00 32.89 C ATOM 618 C GLU A 66 -0.473 66.233 -7.703 1.00 34.14 C ATOM 619 O GLU A 66 -1.162 67.000 -7.021 1.00 30.30 O ATOM 620 CB GLU A 66 -0.070 67.735 -9.697 1.00 35.04 C ATOM 621 CG GLU A 66 0.218 67.752 -11.185 1.00 40.41 C ATOM 622 CD GLU A 66 0.453 69.145 -11.726 1.00 44.56 C ATOM 623 OE1 GLU A 66 1.165 69.929 -11.042 1.00 47.13 O ATOM 624 OE2 GLU A 66 -0.075 69.432 -12.833 1.00 42.96 O ATOM 625 H GLU A 66 -2.602 66.619 -9.595 1.00 0.00 H ATOM 626 N ILE A 67 0.275 65.240 -7.200 1.00 35.63 N ATOM 627 CA ILE A 67 0.249 64.836 -5.788 1.00 37.89 C ATOM 628 C ILE A 67 1.624 65.132 -5.208 1.00 39.71 C ATOM 629 O ILE A 67 2.607 64.519 -5.640 1.00 39.65 O ATOM 630 CB ILE A 67 -0.020 63.316 -5.601 1.00 38.07 C ATOM 631 CG1 ILE A 67 -1.236 62.832 -6.389 1.00 40.70 C ATOM 632 CG2 ILE A 67 -0.145 62.954 -4.118 1.00 37.89 C ATOM 633 CD1 ILE A 67 -1.439 61.322 -6.318 1.00 41.93 C ATOM 634 H ILE A 67 0.909 64.727 -7.846 1.00 0.00 H ATOM 635 N CYS A 68 1.697 66.039 -4.230 1.00 41.57 N ATOM 636 CA CYS A 68 2.989 66.540 -3.713 1.00 42.58 C ATOM 637 C CYS A 68 3.963 66.890 -4.886 1.00 46.73 C ATOM 638 O CYS A 68 5.197 66.767 -4.768 1.00 45.42 O ATOM 639 CB CYS A 68 3.602 65.539 -2.713 1.00 42.67 C ATOM 640 SG CYS A 68 4.320 66.258 -1.207 1.00 42.53 S ATOM 641 H CYS A 68 0.815 66.405 -3.818 1.00 0.00 H ATOM 642 N GLY A 69 3.397 67.322 -6.021 1.00 45.77 N ATOM 643 CA GLY A 69 4.205 67.656 -7.194 1.00 47.50 C ATOM 644 C GLY A 69 4.525 66.526 -8.178 1.00 48.02 C ATOM 645 O GLY A 69 4.885 66.815 -9.324 1.00 51.42 O ATOM 646 H GLY A 69 2.363 67.422 -6.069 1.00 0.00 H ATOM 647 N HIS A 70 4.440 65.256 -7.754 1.00 41.59 N ATOM 648 CA HIS A 70 4.538 64.127 -8.693 1.00 38.66 C ATOM 649 C HIS A 70 3.404 64.246 -9.677 1.00 34.61 C ATOM 650 O HIS A 70 2.273 64.485 -9.286 1.00 37.35 O ATOM 651 CB HIS A 70 4.373 62.783 -7.984 1.00 39.33 C ATOM 652 CG HIS A 70 5.495 62.406 -7.037 1.00 41.32 C ATOM 653 ND1 HIS A 70 5.848 63.164 -5.978 1.00 41.52 N ATOM 654 CD2 HIS A 70 6.295 61.261 -6.982 1.00 40.59 C ATOM 655 CE1 HIS A 70 6.844 62.556 -5.303 1.00 40.90 C ATOM 656 NE2 HIS A 70 7.113 61.391 -5.917 1.00 41.37 N ATOM 657 H HIS A 70 4.302 65.065 -6.741 1.00 0.00 H ATOM 658 N LYS A 71 3.659 64.088 -10.962 1.00 33.07 N ATOM 659 CA LYS A 71 2.541 63.987 -11.898 1.00 32.16 C ATOM 660 C LYS A 71 2.155 62.528 -12.116 1.00 31.39 C ATOM 661 O LYS A 71 3.014 61.685 -12.456 1.00 30.89 O ATOM 662 CB LYS A 71 2.863 64.662 -13.234 1.00 34.54 C ATOM 663 CG LYS A 71 2.715 66.166 -13.199 1.00 33.82 C ATOM 664 CD LYS A 71 3.543 66.782 -14.296 1.00 36.34 C ATOM 665 CE LYS A 71 3.354 68.279 -14.352 1.00 37.77 C ATOM 666 NZ LYS A 71 4.061 68.872 -13.189 1.00 44.90 N ATOM 667 HZ1 LYS A 71 3.659 68.490 -12.309 1.00 0.00 H ATOM 668 HZ2 LYS A 71 5.072 68.634 -13.241 1.00 0.00 H ATOM 669 HZ3 LYS A 71 3.946 69.905 -13.205 1.00 0.00 H ATOM 670 H LYS A 71 4.640 64.036 -11.303 1.00 0.00 H ATOM 671 N VAL A 72 0.875 62.232 -11.893 1.00 28.12 N ATOM 672 CA VAL A 72 0.322 60.910 -12.178 1.00 27.64 C ATOM 673 C VAL A 72 -0.954 61.040 -13.006 1.00 28.11 C ATOM 674 O VAL A 72 -1.525 62.120 -13.111 1.00 28.61 O ATOM 675 CB VAL A 72 0.098 60.042 -10.900 1.00 26.50 C ATOM 676 CG1 VAL A 72 1.386 59.883 -10.110 1.00 25.48 C ATOM 677 CG2 VAL A 72 -1.026 60.578 -10.013 1.00 26.66 C ATOM 678 H VAL A 72 0.249 62.966 -11.503 1.00 0.00 H ATOM 679 N ILE A 73 -1.378 59.941 -13.618 1.00 29.06 N ATOM 680 CA ILE A 73 -2.600 59.902 -14.421 1.00 29.23 C ATOM 681 C ILE A 73 -3.353 58.616 -14.072 1.00 30.81 C ATOM 682 O ILE A 73 -2.789 57.517 -14.045 1.00 31.48 O ATOM 683 CB ILE A 73 -2.309 59.996 -15.954 1.00 30.09 C ATOM 684 CG1 ILE A 73 -2.012 61.444 -16.361 1.00 30.98 C ATOM 685 CG2 ILE A 73 -3.487 59.501 -16.778 1.00 28.56 C ATOM 686 CD1 ILE A 73 -1.634 61.620 -17.813 1.00 34.27 C ATOM 687 H ILE A 73 -0.817 59.070 -13.522 1.00 0.00 H ATOM 688 N GLY A 74 -4.631 58.744 -13.782 1.00 32.62 N ATOM 689 CA GLY A 74 -5.403 57.558 -13.517 1.00 32.12 C ATOM 690 C GLY A 74 -6.872 57.853 -13.505 1.00 32.84 C ATOM 691 O GLY A 74 -7.304 58.983 -13.793 1.00 30.63 O ATOM 692 H GLY A 74 -5.074 59.684 -13.745 1.00 0.00 H ATOM 693 N THR A 75 -7.635 56.814 -13.174 1.00 32.61 N ATOM 694 CA THR A 75 -9.050 56.947 -12.986 1.00 31.80 C ATOM 695 C THR A 75 -9.263 57.614 -11.636 1.00 30.98 C ATOM 696 O THR A 75 -8.667 57.206 -10.638 1.00 31.01 O ATOM 697 CB THR A 75 -9.748 55.573 -13.054 1.00 31.75 C ATOM 698 OG1 THR A 75 -9.569 55.018 -14.362 1.00 33.93 O ATOM 699 CG2 THR A 75 -11.242 55.688 -12.742 1.00 30.07 C ATOM 700 HG1 THR A 75 -9.966 55.627 -15.035 1.00 0.00 H ATOM 701 H THR A 75 -7.193 55.881 -13.048 1.00 0.00 H ATOM 702 N VAL A 76 -10.088 58.656 -11.645 1.00 29.46 N ATOM 703 CA VAL A 76 -10.568 59.349 -10.453 1.00 28.94 C ATOM 704 C VAL A 76 -12.095 59.152 -10.392 1.00 31.74 C ATOM 705 O VAL A 76 -12.790 59.252 -11.419 1.00 33.07 O ATOM 706 CB VAL A 76 -10.253 60.868 -10.543 1.00 29.18 C ATOM 707 CG1 VAL A 76 -11.045 61.678 -9.529 1.00 28.01 C ATOM 708 CG2 VAL A 76 -8.761 61.141 -10.405 1.00 28.04 C ATOM 709 H VAL A 76 -10.416 59.003 -12.569 1.00 0.00 H ATOM 710 N LEU A 77 -12.625 58.873 -9.202 1.00 31.48 N ATOM 711 CA LEU A 77 -14.076 58.811 -8.997 1.00 31.09 C ATOM 712 C LEU A 77 -14.510 60.068 -8.279 1.00 31.59 C ATOM 713 O LEU A 77 -13.800 60.530 -7.380 1.00 32.14 O ATOM 714 CB LEU A 77 -14.472 57.568 -8.179 1.00 28.84 C ATOM 715 CG LEU A 77 -13.970 56.210 -8.655 1.00 28.25 C ATOM 716 CD1 LEU A 77 -14.549 55.076 -7.805 1.00 27.82 C ATOM 717 CD2 LEU A 77 -14.279 55.989 -10.133 1.00 28.35 C ATOM 718 H LEU A 77 -11.992 58.694 -8.396 1.00 0.00 H ATOM 719 N VAL A 78 -15.658 60.629 -8.670 1.00 31.10 N ATOM 720 CA VAL A 78 -16.213 61.797 -7.975 1.00 31.23 C ATOM 721 C VAL A 78 -17.578 61.429 -7.399 1.00 32.98 C ATOM 722 O VAL A 78 -18.388 60.781 -8.071 1.00 35.84 O ATOM 723 CB VAL A 78 -16.350 63.028 -8.903 1.00 33.07 C ATOM 724 CG1 VAL A 78 -16.826 64.253 -8.121 1.00 31.57 C ATOM 725 CG2 VAL A 78 -15.034 63.324 -9.610 1.00 31.83 C ATOM 726 H VAL A 78 -16.169 60.230 -9.483 1.00 0.00 H ATOM 727 N GLY A 79 -17.833 61.827 -6.156 1.00 31.04 N ATOM 728 CA GLY A 79 -19.096 61.505 -5.510 1.00 30.24 C ATOM 729 C GLY A 79 -19.118 61.985 -4.079 1.00 32.96 C ATOM 730 O GLY A 79 -18.127 62.542 -3.588 1.00 32.12 O ATOM 731 H GLY A 79 -17.118 62.377 -5.638 1.00 0.00 H ATOM 732 N PRO A 80 -20.247 61.764 -3.383 1.00 34.80 N ATOM 733 CA PRO A 80 -20.462 62.404 -2.075 1.00 33.08 C ATOM 734 C PRO A 80 -19.630 61.836 -0.933 1.00 33.51 C ATOM 735 O PRO A 80 -20.171 61.599 0.142 1.00 34.72 O ATOM 736 CB PRO A 80 -21.951 62.194 -1.825 1.00 33.05 C ATOM 737 CG PRO A 80 -22.305 60.985 -2.616 1.00 32.20 C ATOM 738 CD PRO A 80 -21.419 60.981 -3.825 1.00 33.40 C ATOM 739 N THR A 81 -18.326 61.646 -1.167 1.00 32.72 N ATOM 740 CA THR A 81 -17.381 61.142 -0.159 1.00 31.19 C ATOM 741 C THR A 81 -17.098 62.206 0.899 1.00 31.85 C ATOM 742 O THR A 81 -16.990 63.380 0.578 1.00 31.97 O ATOM 743 CB THR A 81 -16.030 60.696 -0.784 1.00 30.82 C ATOM 744 OG1 THR A 81 -15.101 60.366 0.257 1.00 29.88 O ATOM 745 CG2 THR A 81 -15.414 61.811 -1.615 1.00 31.09 C ATOM 746 HG1 THR A 81 -14.242 60.083 -0.146 1.00 0.00 H ATOM 747 H THR A 81 -17.960 61.867 -2.115 1.00 0.00 H ATOM 748 N PRO A 82 -16.992 61.796 2.170 1.00 32.22 N ATOM 749 CA PRO A 82 -16.680 62.720 3.270 1.00 31.46 C ATOM 750 C PRO A 82 -15.232 63.232 3.272 1.00 31.97 C ATOM 751 O PRO A 82 -14.912 64.179 4.014 1.00 31.25 O ATOM 752 CB PRO A 82 -16.916 61.866 4.522 1.00 30.86 C ATOM 753 CG PRO A 82 -16.807 60.452 4.054 1.00 31.81 C ATOM 754 CD PRO A 82 -17.360 60.452 2.665 1.00 33.02 C ATOM 755 N ALA A 83 -14.367 62.600 2.471 1.00 31.24 N ATOM 756 CA ALA A 83 -12.955 62.992 2.377 1.00 31.08 C ATOM 757 C ALA A 83 -12.417 62.715 0.998 1.00 29.12 C ATOM 758 O ALA A 83 -12.724 61.680 0.410 1.00 31.98 O ATOM 759 CB ALA A 83 -12.117 62.252 3.423 1.00 31.86 C ATOM 760 H ALA A 83 -14.706 61.803 1.895 1.00 0.00 H ATOM 761 N ASN A 84 -11.626 63.641 0.466 1.00 27.85 N ATOM 762 CA ASN A 84 -10.855 63.345 -0.737 1.00 27.15 C ATOM 763 C ASN A 84 -9.869 62.228 -0.405 1.00 25.78 C ATOM 764 O ASN A 84 -9.175 62.303 0.612 1.00 26.06 O ATOM 765 CB ASN A 84 -10.121 64.587 -1.248 1.00 28.20 C ATOM 766 CG ASN A 84 -11.071 65.719 -1.621 1.00 29.46 C ATOM 767 OD1 ASN A 84 -12.142 65.483 -2.191 1.00 27.95 O ATOM 768 ND2 ASN A 84 -10.674 66.964 -1.308 1.00 25.91 N ATOM 769 HD22 ASN A 84 -9.764 67.114 -0.828 1.00 0.00 H ATOM 770 HD21 ASN A 84 -11.277 67.777 -1.546 1.00 0.00 H ATOM 771 H ASN A 84 -11.556 64.580 0.908 1.00 0.00 H ATOM 772 N ILE A 85 -9.821 61.204 -1.255 1.00 24.68 N ATOM 773 CA ILE A 85 -9.099 59.956 -0.975 1.00 24.95 C ATOM 774 C ILE A 85 -8.203 59.582 -2.150 1.00 23.82 C ATOM 775 O ILE A 85 -8.687 59.394 -3.251 1.00 22.62 O ATOM 776 CB ILE A 85 -10.089 58.789 -0.728 1.00 26.33 C ATOM 777 CG1 ILE A 85 -10.811 58.942 0.609 1.00 27.64 C ATOM 778 CG2 ILE A 85 -9.394 57.431 -0.723 1.00 27.20 C ATOM 779 CD1 ILE A 85 -11.895 57.889 0.756 1.00 30.62 C ATOM 780 H ILE A 85 -10.320 61.292 -2.163 1.00 0.00 H ATOM 781 N ILE A 86 -6.900 59.437 -1.905 1.00 22.94 N ATOM 782 CA ILE A 86 -5.996 58.935 -2.941 1.00 22.07 C ATOM 783 C ILE A 86 -5.787 57.467 -2.679 1.00 22.11 C ATOM 784 O ILE A 86 -5.235 57.112 -1.650 1.00 22.68 O ATOM 785 CB ILE A 86 -4.611 59.644 -2.943 1.00 21.78 C ATOM 786 CG1 ILE A 86 -4.762 61.179 -2.974 1.00 20.28 C ATOM 787 CG2 ILE A 86 -3.731 59.089 -4.079 1.00 20.66 C ATOM 788 CD1 ILE A 86 -5.451 61.740 -4.191 1.00 20.78 C ATOM 789 H ILE A 86 -6.522 59.683 -0.968 1.00 0.00 H ATOM 790 N GLY A 87 -6.235 56.630 -3.613 1.00 22.89 N ATOM 791 CA GLY A 87 -6.208 55.186 -3.470 1.00 21.90 C ATOM 792 C GLY A 87 -4.996 54.584 -4.158 1.00 22.48 C ATOM 793 O GLY A 87 -4.211 55.291 -4.800 1.00 22.28 O ATOM 794 H GLY A 87 -6.624 57.032 -4.490 1.00 0.00 H ATOM 795 N ARG A 88 -4.860 53.270 -4.042 1.00 22.16 N ATOM 796 CA ARG A 88 -3.644 52.568 -4.492 1.00 22.46 C ATOM 797 C ARG A 88 -3.422 52.689 -6.004 1.00 22.96 C ATOM 798 O ARG A 88 -2.282 52.597 -6.444 1.00 23.29 O ATOM 799 CB ARG A 88 -3.665 51.086 -4.083 1.00 21.60 C ATOM 800 CG ARG A 88 -3.662 50.815 -2.576 1.00 22.30 C ATOM 801 CD ARG A 88 -3.689 49.311 -2.256 1.00 22.63 C ATOM 802 NE ARG A 88 -4.901 48.635 -2.762 1.00 24.23 N ATOM 803 CZ ARG A 88 -4.969 47.949 -3.911 1.00 22.86 C ATOM 804 NH1 ARG A 88 -6.112 47.383 -4.273 1.00 21.38 N ATOM 805 NH2 ARG A 88 -3.898 47.840 -4.705 1.00 21.71 N ATOM 806 HE ARG A 88 -5.764 48.696 -2.185 1.00 0.00 H ATOM 807 HH12 ARG A 88 -6.169 46.850 -5.164 1.00 0.00 H ATOM 808 HH11 ARG A 88 -6.952 47.472 -3.666 1.00 0.00 H ATOM 809 HH22 ARG A 88 -3.962 47.305 -5.595 1.00 0.00 H ATOM 810 HH21 ARG A 88 -3.001 48.290 -4.433 1.00 0.00 H ATOM 811 H ARG A 88 -5.634 52.718 -3.621 1.00 0.00 H ATOM 812 N ASN A 89 -4.493 52.880 -6.788 1.00 22.13 N ATOM 813 CA ASN A 89 -4.335 53.150 -8.226 1.00 23.58 C ATOM 814 C ASN A 89 -3.417 54.349 -8.540 1.00 24.05 C ATOM 815 O ASN A 89 -2.717 54.338 -9.543 1.00 23.38 O ATOM 816 CB ASN A 89 -5.699 53.286 -8.950 1.00 23.92 C ATOM 817 CG ASN A 89 -6.387 54.596 -8.674 1.00 24.11 C ATOM 818 OD1 ASN A 89 -6.716 54.917 -7.531 1.00 26.62 O ATOM 819 ND2 ASN A 89 -6.628 55.358 -9.720 1.00 24.89 N ATOM 820 HD22 ASN A 89 -6.333 55.048 -10.668 1.00 0.00 H ATOM 821 HD21 ASN A 89 -7.114 56.270 -9.598 1.00 0.00 H ATOM 822 H ASN A 89 -5.446 52.837 -6.375 1.00 0.00 H ATOM 823 N LEU A 90 -3.425 55.377 -7.684 1.00 25.59 N ATOM 824 CA LEU A 90 -2.501 56.515 -7.829 1.00 25.85 C ATOM 825 C LEU A 90 -1.290 56.404 -6.925 1.00 27.66 C ATOM 826 O LEU A 90 -0.210 56.873 -7.306 1.00 30.12 O ATOM 827 CB LEU A 90 -3.198 57.865 -7.613 1.00 25.48 C ATOM 828 CG LEU A 90 -4.374 58.189 -8.533 1.00 25.70 C ATOM 829 CD1 LEU A 90 -4.818 59.626 -8.362 1.00 23.93 C ATOM 830 CD2 LEU A 90 -4.031 57.889 -9.987 1.00 28.43 C ATOM 831 H LEU A 90 -4.102 55.373 -6.895 1.00 0.00 H ATOM 832 N LEU A 91 -1.446 55.759 -5.763 1.00 26.58 N ATOM 833 CA LEU A 91 -0.331 55.601 -4.810 1.00 28.17 C ATOM 834 C LEU A 91 0.858 54.807 -5.391 1.00 29.29 C ATOM 835 O LEU A 91 2.036 55.136 -5.147 1.00 28.65 O ATOM 836 CB LEU A 91 -0.814 55.008 -3.480 1.00 26.34 C ATOM 837 CG LEU A 91 -1.762 55.832 -2.579 1.00 25.84 C ATOM 838 CD1 LEU A 91 -2.267 55.019 -1.389 1.00 24.50 C ATOM 839 CD2 LEU A 91 -1.106 57.125 -2.103 1.00 23.76 C ATOM 840 H LEU A 91 -2.376 55.359 -5.526 1.00 0.00 H ATOM 841 N THR A 92 0.550 53.794 -6.194 1.00 30.01 N ATOM 842 CA THR A 92 1.595 52.987 -6.852 1.00 32.06 C ATOM 843 C THR A 92 2.415 53.792 -7.848 1.00 32.93 C ATOM 844 O THR A 92 3.554 53.429 -8.155 1.00 34.85 O ATOM 845 CB THR A 92 0.995 51.791 -7.608 1.00 31.37 C ATOM 846 OG1 THR A 92 -0.034 52.256 -8.490 1.00 32.79 O ATOM 847 CG2 THR A 92 0.390 50.799 -6.631 1.00 31.14 C ATOM 848 HG1 THR A 92 -0.742 52.704 -7.962 1.00 0.00 H ATOM 849 H THR A 92 -0.450 53.565 -6.362 1.00 0.00 H ATOM 850 N GLN A 93 1.819 54.870 -8.360 1.00 34.00 N ATOM 851 CA GLN A 93 2.451 55.720 -9.378 1.00 33.19 C ATOM 852 C GLN A 93 3.385 56.764 -8.773 1.00 31.28 C ATOM 853 O GLN A 93 4.217 57.327 -9.476 1.00 31.00 O ATOM 854 CB GLN A 93 1.403 56.390 -10.265 1.00 35.15 C ATOM 855 CG GLN A 93 0.573 55.425 -11.111 1.00 35.22 C ATOM 856 CD GLN A 93 -0.400 56.162 -12.009 1.00 39.28 C ATOM 857 OE1 GLN A 93 -0.035 57.140 -12.681 1.00 41.81 O ATOM 858 NE2 GLN A 93 -1.650 55.698 -12.036 1.00 39.82 N ATOM 859 HE22 GLN A 93 -1.912 54.875 -11.456 1.00 0.00 H ATOM 860 HE21 GLN A 93 -2.363 56.159 -12.637 1.00 0.00 H ATOM 861 H GLN A 93 0.867 55.119 -8.024 1.00 0.00 H ATOM 862 N ILE A 94 3.258 57.008 -7.472 1.00 30.31 N ATOM 863 CA ILE A 94 4.201 57.888 -6.777 1.00 29.33 C ATOM 864 C ILE A 94 5.249 57.098 -5.979 1.00 29.97 C ATOM 865 O ILE A 94 5.940 57.657 -5.133 1.00 31.50 O ATOM 866 CB ILE A 94 3.507 58.993 -5.921 1.00 29.70 C ATOM 867 CG1 ILE A 94 2.659 58.432 -4.761 1.00 28.41 C ATOM 868 CG2 ILE A 94 2.692 59.929 -6.810 1.00 29.53 C ATOM 869 CD1 ILE A 94 2.140 59.498 -3.796 1.00 28.51 C ATOM 870 H ILE A 94 2.479 56.569 -6.941 1.00 0.00 H ATOM 871 N GLY A 95 5.355 55.797 -6.268 1.00 30.58 N ATOM 872 CA GLY A 95 6.258 54.884 -5.560 1.00 30.60 C ATOM 873 C GLY A 95 5.984 54.793 -4.066 1.00 31.98 C ATOM 874 O GLY A 95 6.906 54.690 -3.265 1.00 32.35 O ATOM 875 H GLY A 95 4.767 55.413 -7.035 1.00 0.00 H ATOM 876 N CYS A 96 4.711 54.829 -3.685 1.00 32.66 N ATOM 877 CA CYS A 96 4.344 54.865 -2.269 1.00 31.45 C ATOM 878 C CYS A 96 4.400 53.476 -1.663 1.00 32.08 C ATOM 879 O CYS A 96 3.764 52.543 -2.184 1.00 30.87 O ATOM 880 CB CYS A 96 2.946 55.453 -2.091 1.00 31.53 C ATOM 881 SG CYS A 96 2.411 55.598 -0.376 1.00 34.82 S ATOM 882 H CYS A 96 3.962 54.832 -4.407 1.00 0.00 H ATOM 883 N THR A 97 5.161 53.346 -0.570 1.00 29.34 N ATOM 884 CA THR A 97 5.242 52.096 0.171 1.00 29.05 C ATOM 885 C THR A 97 4.780 52.278 1.614 1.00 29.45 C ATOM 886 O THR A 97 4.720 53.403 2.127 1.00 30.68 O ATOM 887 CB THR A 97 6.665 51.494 0.147 1.00 28.14 C ATOM 888 OG1 THR A 97 7.582 52.364 0.824 1.00 29.08 O ATOM 889 CG2 THR A 97 7.141 51.259 -1.296 1.00 28.15 C ATOM 890 HG1 THR A 97 7.294 52.478 1.764 1.00 0.00 H ATOM 891 H THR A 97 5.712 54.164 -0.240 1.00 0.00 H ATOM 892 N LEU A 98 4.417 51.180 2.261 1.00 29.27 N ATOM 893 CA LEU A 98 4.261 51.186 3.715 1.00 30.83 C ATOM 894 C LEU A 98 5.526 50.595 4.294 1.00 30.66 C ATOM 895 O LEU A 98 6.104 49.692 3.698 1.00 29.66 O ATOM 896 CB LEU A 98 3.045 50.359 4.154 1.00 30.78 C ATOM 897 CG LEU A 98 1.628 50.876 3.931 1.00 29.25 C ATOM 898 CD1 LEU A 98 0.626 49.742 4.079 1.00 27.04 C ATOM 899 CD2 LEU A 98 1.331 51.963 4.943 1.00 29.75 C ATOM 900 H LEU A 98 4.241 50.304 1.729 1.00 0.00 H ATOM 901 N ASN A 99 5.955 51.124 5.437 1.00 32.86 N ATOM 902 CA ASN A 99 7.172 50.703 6.107 1.00 34.05 C ATOM 903 C ASN A 99 6.921 50.537 7.601 1.00 36.40 C ATOM 904 O ASN A 99 6.361 51.430 8.242 1.00 35.16 O ATOM 905 CB ASN A 99 8.265 51.760 5.936 1.00 35.81 C ATOM 906 CG ASN A 99 8.867 51.788 4.538 1.00 38.51 C ATOM 907 OD1 ASN A 99 8.156 51.941 3.541 1.00 41.21 O ATOM 908 ND2 ASN A 99 10.197 51.696 4.463 1.00 37.83 N ATOM 909 HD22 ASN A 99 10.759 51.567 5.329 1.00 0.00 H ATOM 910 HD21 ASN A 99 10.671 51.753 3.539 1.00 0.00 H ATOM 911 H ASN A 99 5.388 51.879 5.873 1.00 0.00 H ATOM 912 N PHE A 100 7.357 49.410 8.163 1.00 37.95 N ATOM 913 CA PHE A 100 7.254 49.175 9.602 1.00 42.76 C ATOM 914 C PHE A 100 8.231 48.118 10.118 1.00 46.31 C ATOM 915 O PHE A 100 8.691 47.234 9.386 1.00 43.82 O ATOM 916 CB PHE A 100 5.807 48.845 10.020 1.00 43.27 C ATOM 917 CG PHE A 100 5.225 47.658 9.322 1.00 43.90 C ATOM 918 CD1 PHE A 100 4.681 47.784 8.056 1.00 43.73 C ATOM 919 CD2 PHE A 100 5.213 46.405 9.937 1.00 46.91 C ATOM 920 CE1 PHE A 100 4.150 46.684 7.401 1.00 44.50 C ATOM 921 CE2 PHE A 100 4.671 45.301 9.291 1.00 44.20 C ATOM 922 CZ PHE A 100 4.142 45.443 8.023 1.00 45.08 C ATOM 923 OXT PHE A 100 8.586 48.127 11.305 1.00 53.73 O ATOM 924 H PHE A 100 7.783 48.677 7.561 1.00 0.00 H TER 925 PHE A 100 ATOM 926 N PRO B 1 9.232 45.164 7.575 1.00 40.44 N ATOM 927 CA PRO B 1 9.227 45.013 6.124 1.00 40.30 C ATOM 928 C PRO B 1 8.784 46.284 5.398 1.00 40.13 C ATOM 929 O PRO B 1 8.158 47.165 5.989 1.00 37.37 O ATOM 930 CB PRO B 1 8.200 43.892 5.883 1.00 42.90 C ATOM 931 CG PRO B 1 7.364 43.841 7.116 1.00 41.82 C ATOM 932 CD PRO B 1 8.252 44.283 8.240 1.00 42.48 C ATOM 933 HN2 PRO B 1 9.005 46.152 7.808 1.00 0.00 H ATOM 934 HN1 PRO B 1 10.182 44.935 7.931 1.00 0.00 H ATOM 935 N GLN B 2 9.123 46.371 4.117 1.00 40.50 N ATOM 936 CA GLN B 2 8.639 47.446 3.268 1.00 40.07 C ATOM 937 C GLN B 2 7.665 46.838 2.267 1.00 38.38 C ATOM 938 O GLN B 2 7.995 45.876 1.596 1.00 42.83 O ATOM 939 CB GLN B 2 9.804 48.172 2.574 1.00 41.32 C ATOM 940 CG GLN B 2 9.353 49.347 1.722 1.00 43.09 C ATOM 941 CD GLN B 2 10.483 50.053 0.992 1.00 46.27 C ATOM 942 OE1 GLN B 2 10.640 51.274 1.100 1.00 46.39 O ATOM 943 NE2 GLN B 2 11.262 49.298 0.229 1.00 45.08 N ATOM 944 HE22 GLN B 2 11.094 48.274 0.167 1.00 0.00 H ATOM 945 HE21 GLN B 2 12.041 49.730 -0.308 1.00 0.00 H ATOM 946 H GLN B 2 9.752 45.650 3.710 1.00 0.00 H ATOM 947 N ILE B 3 6.465 47.400 2.176 1.00 38.47 N ATOM 948 CA ILE B 3 5.381 46.808 1.391 1.00 37.98 C ATOM 949 C ILE B 3 4.880 47.775 0.301 1.00 38.38 C ATOM 950 O ILE B 3 4.536 48.922 0.590 1.00 37.41 O ATOM 951 CB ILE B 3 4.258 46.291 2.339 1.00 40.31 C ATOM 952 CG1 ILE B 3 2.981 45.920 1.604 1.00 40.97 C ATOM 953 CG2 ILE B 3 3.900 47.305 3.419 1.00 40.89 C ATOM 954 CD1 ILE B 3 1.886 45.465 2.552 1.00 42.46 C ATOM 955 H ILE B 3 6.290 48.292 2.680 1.00 0.00 H ATOM 956 N THR B 4 4.871 47.321 -0.957 1.00 37.25 N ATOM 957 CA THR B 4 4.374 48.144 -2.075 1.00 34.98 C ATOM 958 C THR B 4 2.859 48.000 -2.156 1.00 32.89 C ATOM 959 O THR B 4 2.283 47.175 -1.445 1.00 32.41 O ATOM 960 CB THR B 4 5.016 47.770 -3.436 1.00 36.99 C ATOM 961 OG1 THR B 4 4.940 46.352 -3.640 1.00 40.43 O ATOM 962 CG2 THR B 4 6.485 48.236 -3.514 1.00 34.43 C ATOM 963 HG1 THR B 4 5.425 45.889 -2.912 1.00 0.00 H ATOM 964 H THR B 4 5.224 46.362 -1.152 1.00 0.00 H ATOM 965 N LEU B 5 2.218 48.787 -3.021 1.00 29.06 N ATOM 966 CA LEU B 5 0.763 48.915 -2.987 1.00 28.74 C ATOM 967 C LEU B 5 0.024 48.420 -4.247 1.00 28.32 C ATOM 968 O LEU B 5 -1.115 48.821 -4.512 1.00 27.50 O ATOM 969 CB LEU B 5 0.357 50.349 -2.578 1.00 27.71 C ATOM 970 CG LEU B 5 0.762 50.765 -1.144 1.00 26.82 C ATOM 971 CD1 LEU B 5 0.765 52.272 -0.973 1.00 25.26 C ATOM 972 CD2 LEU B 5 -0.136 50.109 -0.086 1.00 27.05 C ATOM 973 H LEU B 5 2.762 49.318 -3.731 1.00 0.00 H ATOM 974 N TRP B 6 0.670 47.526 -4.997 1.00 28.25 N ATOM 975 CA TRP B 6 0.035 46.861 -6.148 1.00 28.81 C ATOM 976 C TRP B 6 -0.985 45.848 -5.730 1.00 29.47 C ATOM 977 O TRP B 6 -1.897 45.548 -6.487 1.00 32.73 O ATOM 978 CB TRP B 6 1.091 46.244 -7.066 1.00 29.91 C ATOM 979 CG TRP B 6 2.096 47.264 -7.557 1.00 29.25 C ATOM 980 CD1 TRP B 6 3.329 47.585 -6.992 1.00 28.86 C ATOM 981 CD2 TRP B 6 1.967 48.157 -8.721 1.00 28.91 C ATOM 982 NE1 TRP B 6 3.959 48.575 -7.710 1.00 28.71 N ATOM 983 CE2 TRP B 6 3.197 48.967 -8.757 1.00 29.08 C ATOM 984 CE3 TRP B 6 1.002 48.355 -9.696 1.00 30.20 C ATOM 985 CZ2 TRP B 6 3.426 49.927 -9.745 1.00 29.97 C ATOM 986 CZ3 TRP B 6 1.229 49.337 -10.676 1.00 32.34 C ATOM 987 CH2 TRP B 6 2.424 50.101 -10.705 1.00 29.51 C ATOM 988 HE1 TRP B 6 4.894 48.968 -7.479 1.00 0.00 H ATOM 989 H TRP B 6 1.655 47.290 -4.761 1.00 0.00 H ATOM 990 N GLN B 7 -0.848 45.315 -4.514 1.00 30.56 N ATOM 991 CA GLN B 7 -1.856 44.448 -3.873 1.00 30.24 C ATOM 992 C GLN B 7 -2.418 45.181 -2.648 1.00 28.96 C ATOM 993 O GLN B 7 -1.727 46.006 -2.056 1.00 27.47 O ATOM 994 CB GLN B 7 -1.193 43.158 -3.359 1.00 31.10 C ATOM 995 CG GLN B 7 -0.778 42.161 -4.434 1.00 36.11 C ATOM 996 CD GLN B 7 0.120 41.049 -3.899 1.00 33.67 C ATOM 997 OE1 GLN B 7 0.945 41.268 -3.009 1.00 33.72 O ATOM 998 NE2 GLN B 7 -0.037 39.852 -4.449 1.00 33.76 N ATOM 999 HE22 GLN B 7 -0.746 39.712 -5.197 1.00 0.00 H ATOM 1000 HE21 GLN B 7 0.548 39.053 -4.132 1.00 0.00 H ATOM 1001 H GLN B 7 0.023 45.524 -3.985 1.00 0.00 H ATOM 1002 N ARG B 8 -3.641 44.853 -2.244 1.00 27.59 N ATOM 1003 CA ARG B 8 -4.181 45.356 -0.979 1.00 28.13 C ATOM 1004 C ARG B 8 -3.214 44.945 0.139 1.00 26.40 C ATOM 1005 O ARG B 8 -2.802 43.791 0.174 1.00 26.97 O ATOM 1006 CB ARG B 8 -5.569 44.778 -0.723 1.00 28.24 C ATOM 1007 CG ARG B 8 -6.608 45.093 -1.794 1.00 30.53 C ATOM 1008 CD ARG B 8 -7.908 44.361 -1.522 1.00 36.52 C ATOM 1009 NE ARG B 8 -9.074 45.070 -2.042 1.00 43.41 N ATOM 1010 CZ ARG B 8 -10.303 45.006 -1.513 1.00 52.76 C ATOM 1011 NH1 ARG B 8 -11.297 45.705 -2.066 1.00 55.00 N ATOM 1012 NH2 ARG B 8 -10.551 44.256 -0.430 1.00 51.63 N ATOM 1013 HE ARG B 8 -8.941 45.667 -2.883 1.00 0.00 H ATOM 1014 HH12 ARG B 8 -12.253 45.659 -1.660 1.00 0.00 H ATOM 1015 HH11 ARG B 8 -11.115 46.295 -2.903 1.00 0.00 H ATOM 1016 HH22 ARG B 8 -11.511 44.218 -0.033 1.00 0.00 H ATOM 1017 HH21 ARG B 8 -9.783 43.712 0.013 1.00 0.00 H ATOM 1018 H ARG B 8 -4.225 44.228 -2.836 1.00 0.00 H ATOM 1019 N PRO B 9 -2.815 45.888 1.027 1.00 24.72 N ATOM 1020 CA PRO B 9 -1.860 45.575 2.121 1.00 24.02 C ATOM 1021 C PRO B 9 -2.428 44.757 3.318 1.00 24.22 C ATOM 1022 O PRO B 9 -2.482 45.258 4.461 1.00 24.27 O ATOM 1023 CB PRO B 9 -1.378 46.965 2.569 1.00 23.68 C ATOM 1024 CG PRO B 9 -2.470 47.901 2.193 1.00 23.21 C ATOM 1025 CD PRO B 9 -3.170 47.320 0.989 1.00 24.03 C ATOM 1026 N PHE B 10 -2.848 43.515 3.056 1.00 23.41 N ATOM 1027 CA PHE B 10 -3.314 42.601 4.114 1.00 23.44 C ATOM 1028 C PHE B 10 -2.121 42.025 4.898 1.00 23.77 C ATOM 1029 O PHE B 10 -1.111 41.655 4.293 1.00 24.34 O ATOM 1030 CB PHE B 10 -4.199 41.466 3.541 1.00 22.55 C ATOM 1031 CG PHE B 10 -5.649 41.865 3.319 1.00 23.44 C ATOM 1032 CD1 PHE B 10 -6.527 41.993 4.391 1.00 23.78 C ATOM 1033 CD2 PHE B 10 -6.132 42.111 2.038 1.00 24.64 C ATOM 1034 CE1 PHE B 10 -7.847 42.357 4.198 1.00 23.94 C ATOM 1035 CE2 PHE B 10 -7.450 42.490 1.828 1.00 23.48 C ATOM 1036 CZ PHE B 10 -8.310 42.602 2.907 1.00 25.81 C ATOM 1037 H PHE B 10 -2.846 43.182 2.071 1.00 0.00 H ATOM 1038 N VAL B 11 -2.219 42.012 6.236 1.00 22.92 N ATOM 1039 CA VAL B 11 -1.289 41.251 7.104 1.00 23.15 C ATOM 1040 C VAL B 11 -2.061 40.252 7.985 1.00 24.37 C ATOM 1041 O VAL B 11 -3.265 40.392 8.179 1.00 22.83 O ATOM 1042 CB VAL B 11 -0.411 42.163 8.003 1.00 22.97 C ATOM 1043 CG1 VAL B 11 0.581 42.982 7.164 1.00 21.27 C ATOM 1044 CG2 VAL B 11 -1.279 43.046 8.895 1.00 21.83 C ATOM 1045 H VAL B 11 -2.981 42.560 6.684 1.00 0.00 H ATOM 1046 N THR B 12 -1.368 39.237 8.494 1.00 26.73 N ATOM 1047 CA THR B 12 -1.975 38.263 9.383 1.00 27.98 C ATOM 1048 C THR B 12 -1.863 38.801 10.796 1.00 28.95 C ATOM 1049 O THR B 12 -0.799 39.275 11.219 1.00 30.15 O ATOM 1050 CB THR B 12 -1.335 36.861 9.282 1.00 29.56 C ATOM 1051 OG1 THR B 12 -1.520 36.342 7.957 1.00 32.68 O ATOM 1052 CG2 THR B 12 -2.050 35.917 10.209 1.00 32.28 C ATOM 1053 HG1 THR B 12 -1.109 35.444 7.895 1.00 0.00 H ATOM 1054 H THR B 12 -0.362 39.138 8.248 1.00 0.00 H ATOM 1055 N VAL B 13 -2.976 38.713 11.509 1.00 27.18 N ATOM 1056 CA VAL B 13 -3.169 39.354 12.789 1.00 28.03 C ATOM 1057 C VAL B 13 -3.789 38.327 13.734 1.00 28.12 C ATOM 1058 O VAL B 13 -4.586 37.486 13.301 1.00 28.34 O ATOM 1059 CB VAL B 13 -4.095 40.577 12.601 1.00 28.66 C ATOM 1060 CG1 VAL B 13 -4.580 41.112 13.919 1.00 29.04 C ATOM 1061 CG2 VAL B 13 -3.381 41.680 11.816 1.00 28.65 C ATOM 1062 H VAL B 13 -3.759 38.148 11.123 1.00 0.00 H ATOM 1063 N LYS B 14 -3.413 38.394 15.012 1.00 28.13 N ATOM 1064 CA LYS B 14 -3.889 37.476 16.026 1.00 28.12 C ATOM 1065 C LYS B 14 -4.408 38.281 17.190 1.00 30.26 C ATOM 1066 O LYS B 14 -3.684 39.080 17.790 1.00 28.83 O ATOM 1067 CB LYS B 14 -2.777 36.518 16.481 1.00 29.61 C ATOM 1068 CG LYS B 14 -3.233 35.430 17.448 1.00 31.39 C ATOM 1069 CD LYS B 14 -2.061 34.606 17.971 1.00 34.30 C ATOM 1070 CE LYS B 14 -2.431 33.864 19.257 1.00 37.90 C ATOM 1071 NZ LYS B 14 -1.237 33.359 20.013 1.00 37.48 N ATOM 1072 HZ1 LYS B 14 -0.701 32.700 19.413 1.00 0.00 H ATOM 1073 HZ2 LYS B 14 -0.630 34.161 20.276 1.00 0.00 H ATOM 1074 HZ3 LYS B 14 -1.555 32.867 20.872 1.00 0.00 H ATOM 1075 H LYS B 14 -2.746 39.141 15.294 1.00 0.00 H ATOM 1076 N ILE B 15 -5.684 38.073 17.502 1.00 31.60 N ATOM 1077 CA ILE B 15 -6.351 38.831 18.539 1.00 31.61 C ATOM 1078 C ILE B 15 -7.172 37.849 19.352 1.00 33.51 C ATOM 1079 O ILE B 15 -8.034 37.149 18.806 1.00 34.83 O ATOM 1080 CB ILE B 15 -7.259 39.939 17.956 1.00 33.01 C ATOM 1081 CG1 ILE B 15 -6.442 40.915 17.109 1.00 34.08 C ATOM 1082 CG2 ILE B 15 -7.969 40.693 19.075 1.00 33.66 C ATOM 1083 CD1 ILE B 15 -7.245 41.820 16.199 1.00 34.12 C ATOM 1084 H ILE B 15 -6.218 37.345 16.986 1.00 0.00 H ATOM 1085 N ALA B 16 -6.880 37.802 20.652 1.00 35.30 N ATOM 1086 CA ALA B 16 -7.548 36.944 21.624 1.00 33.16 C ATOM 1087 C ALA B 16 -7.631 35.516 21.127 1.00 31.81 C ATOM 1088 O ALA B 16 -8.711 34.931 21.076 1.00 32.18 O ATOM 1089 CB ALA B 16 -8.938 37.495 21.951 1.00 36.73 C ATOM 1090 H ALA B 16 -6.121 38.422 20.998 1.00 0.00 H ATOM 1091 N GLY B 17 -6.486 34.970 20.731 1.00 31.06 N ATOM 1092 CA GLY B 17 -6.409 33.600 20.259 1.00 28.89 C ATOM 1093 C GLY B 17 -6.907 33.351 18.850 1.00 29.97 C ATOM 1094 O GLY B 17 -6.654 32.275 18.315 1.00 30.70 O ATOM 1095 H GLY B 17 -5.618 35.542 20.760 1.00 0.00 H ATOM 1096 N GLN B 18 -7.616 34.321 18.245 1.00 29.38 N ATOM 1097 CA GLN B 18 -8.134 34.207 16.852 1.00 28.29 C ATOM 1098 C GLN B 18 -7.203 34.800 15.784 1.00 26.26 C ATOM 1099 O GLN B 18 -6.582 35.857 15.989 1.00 25.09 O ATOM 1100 CB GLN B 18 -9.489 34.894 16.723 1.00 29.06 C ATOM 1101 CG GLN B 18 -10.635 34.183 17.407 1.00 31.91 C ATOM 1102 CD GLN B 18 -11.663 35.157 17.948 1.00 32.62 C ATOM 1103 OE1 GLN B 18 -11.486 35.752 19.013 1.00 33.21 O ATOM 1104 NE2 GLN B 18 -12.735 35.331 17.211 1.00 33.36 N ATOM 1105 HE22 GLN B 18 -12.843 34.808 16.319 1.00 0.00 H ATOM 1106 HE21 GLN B 18 -13.476 35.992 17.519 1.00 0.00 H ATOM 1107 H GLN B 18 -7.812 35.194 18.775 1.00 0.00 H ATOM 1108 N LEU B 19 -7.146 34.135 14.632 1.00 25.45 N ATOM 1109 CA LEU B 19 -6.293 34.569 13.517 1.00 25.92 C ATOM 1110 C LEU B 19 -7.164 35.177 12.430 1.00 25.92 C ATOM 1111 O LEU B 19 -8.293 34.762 12.245 1.00 26.59 O ATOM 1112 CB LEU B 19 -5.508 33.390 12.935 1.00 24.30 C ATOM 1113 CG LEU B 19 -4.757 32.484 13.915 1.00 23.74 C ATOM 1114 CD1 LEU B 19 -4.187 31.293 13.150 1.00 23.31 C ATOM 1115 CD2 LEU B 19 -3.647 33.225 14.636 1.00 22.98 C ATOM 1116 H LEU B 19 -7.725 33.279 14.517 1.00 0.00 H ATOM 1117 N MET B 20 -6.640 36.168 11.727 1.00 26.34 N ATOM 1118 CA MET B 20 -7.378 36.827 10.636 1.00 28.07 C ATOM 1119 C MET B 20 -6.416 37.686 9.805 1.00 26.49 C ATOM 1120 O MET B 20 -5.317 37.991 10.240 1.00 25.81 O ATOM 1121 CB MET B 20 -8.489 37.710 11.203 1.00 28.36 C ATOM 1122 CG MET B 20 -7.946 38.917 11.951 1.00 31.22 C ATOM 1123 SD MET B 20 -9.075 39.560 13.191 1.00 38.63 S ATOM 1124 CE MET B 20 -9.175 38.159 14.316 1.00 35.08 C ATOM 1125 H MET B 20 -5.677 36.491 11.952 1.00 0.00 H ATOM 1126 N GLU B 21 -6.825 38.038 8.595 1.00 27.44 N ATOM 1127 CA GLU B 21 -6.102 39.011 7.799 1.00 26.09 C ATOM 1128 C GLU B 21 -6.771 40.373 7.950 1.00 24.70 C ATOM 1129 O GLU B 21 -7.991 40.456 8.060 1.00 23.11 O ATOM 1130 CB GLU B 21 -6.057 38.575 6.348 1.00 27.30 C ATOM 1131 CG GLU B 21 -5.297 37.272 6.184 1.00 30.39 C ATOM 1132 CD GLU B 21 -4.872 37.035 4.766 1.00 30.25 C ATOM 1133 OE1 GLU B 21 -3.917 37.685 4.319 1.00 31.09 O ATOM 1134 OE2 GLU B 21 -5.483 36.179 4.107 1.00 33.98 O ATOM 1135 H GLU B 21 -7.687 37.605 8.206 1.00 0.00 H ATOM 1136 N ALA B 22 -5.964 41.424 8.016 1.00 23.39 N ATOM 1137 CA ALA B 22 -6.477 42.772 8.151 1.00 23.29 C ATOM 1138 C ALA B 22 -5.705 43.770 7.285 1.00 24.91 C ATOM 1139 O ALA B 22 -4.524 43.600 6.996 1.00 25.15 O ATOM 1140 CB ALA B 22 -6.463 43.202 9.599 1.00 22.47 C ATOM 1141 H ALA B 22 -4.936 41.276 7.970 1.00 0.00 H ATOM 1142 N LEU B 23 -6.389 44.825 6.890 1.00 24.91 N ATOM 1143 CA LEU B 23 -5.855 45.749 5.926 1.00 26.52 C ATOM 1144 C LEU B 23 -5.089 46.833 6.700 1.00 25.01 C ATOM 1145 O LEU B 23 -5.582 47.349 7.693 1.00 25.66 O ATOM 1146 CB LEU B 23 -7.041 46.289 5.108 1.00 27.21 C ATOM 1147 CG LEU B 23 -6.989 46.914 3.717 1.00 29.10 C ATOM 1148 CD1 LEU B 23 -6.483 45.935 2.671 1.00 28.13 C ATOM 1149 CD2 LEU B 23 -8.384 47.415 3.358 1.00 26.58 C ATOM 1150 H LEU B 23 -7.337 44.993 7.284 1.00 0.00 H ATOM 1151 N LEU B 24 -3.847 47.101 6.305 1.00 24.40 N ATOM 1152 CA LEU B 24 -3.099 48.234 6.857 1.00 24.49 C ATOM 1153 C LEU B 24 -3.666 49.473 6.207 1.00 23.81 C ATOM 1154 O LEU B 24 -3.527 49.677 5.007 1.00 23.91 O ATOM 1155 CB LEU B 24 -1.596 48.115 6.592 1.00 25.03 C ATOM 1156 CG LEU B 24 -0.875 46.880 7.157 1.00 25.38 C ATOM 1157 CD1 LEU B 24 0.611 46.961 6.797 1.00 24.84 C ATOM 1158 CD2 LEU B 24 -1.084 46.731 8.667 1.00 22.94 C ATOM 1159 H LEU B 24 -3.398 46.494 5.590 1.00 0.00 H ATOM 1160 N ASP B 25 -4.371 50.274 6.990 1.00 24.31 N ATOM 1161 CA ASP B 25 -5.238 51.279 6.395 1.00 25.26 C ATOM 1162 C ASP B 25 -4.900 52.663 6.938 1.00 24.89 C ATOM 1163 O ASP B 25 -5.390 53.059 8.003 1.00 25.13 O ATOM 1164 CB ASP B 25 -6.711 50.875 6.612 1.00 25.53 C ATOM 1165 CG ASP B 25 -7.697 51.775 5.873 1.00 26.30 C ATOM 1166 OD1 ASP B 25 -7.293 52.815 5.322 1.00 28.45 O ATOM 1167 OD2 ASP B 25 -8.893 51.443 5.854 1.00 25.05 O ATOM 1168 H ASP B 25 -4.305 50.185 8.024 1.00 0.00 H ATOM 1169 N THR B 26 -4.057 53.385 6.188 1.00 25.16 N ATOM 1170 CA THR B 26 -3.649 54.754 6.538 1.00 24.81 C ATOM 1171 C THR B 26 -4.805 55.768 6.506 1.00 25.59 C ATOM 1172 O THR B 26 -4.719 56.805 7.166 1.00 24.22 O ATOM 1173 CB THR B 26 -2.530 55.280 5.624 1.00 26.10 C ATOM 1174 OG1 THR B 26 -2.967 55.242 4.255 1.00 26.10 O ATOM 1175 CG2 THR B 26 -1.216 54.464 5.806 1.00 24.77 C ATOM 1176 HG1 THR B 26 -3.771 55.809 4.151 1.00 0.00 H ATOM 1177 H THR B 26 -3.674 52.959 5.320 1.00 0.00 H ATOM 1178 N GLY B 27 -5.877 55.458 5.765 1.00 24.57 N ATOM 1179 CA GLY B 27 -7.052 56.315 5.709 1.00 25.00 C ATOM 1180 C GLY B 27 -8.052 56.119 6.843 1.00 26.30 C ATOM 1181 O GLY B 27 -9.118 56.740 6.838 1.00 25.51 O ATOM 1182 H GLY B 27 -5.869 54.577 5.212 1.00 0.00 H ATOM 1183 N ALA B 28 -7.705 55.267 7.814 1.00 25.08 N ATOM 1184 CA ALA B 28 -8.598 54.894 8.904 1.00 24.39 C ATOM 1185 C ALA B 28 -8.044 55.400 10.243 1.00 25.55 C ATOM 1186 O ALA B 28 -6.885 55.144 10.575 1.00 24.66 O ATOM 1187 CB ALA B 28 -8.778 53.375 8.937 1.00 23.82 C ATOM 1188 H ALA B 28 -6.752 54.851 7.790 1.00 0.00 H ATOM 1189 N ASP B 29 -8.861 56.126 11.013 1.00 26.56 N ATOM 1190 CA ASP B 29 -8.418 56.619 12.316 1.00 27.11 C ATOM 1191 C ASP B 29 -8.334 55.431 13.281 1.00 27.91 C ATOM 1192 O ASP B 29 -7.431 55.349 14.121 1.00 29.44 O ATOM 1193 CB ASP B 29 -9.390 57.644 12.897 1.00 29.32 C ATOM 1194 CG ASP B 29 -9.555 58.890 12.038 1.00 31.01 C ATOM 1195 OD1 ASP B 29 -8.699 59.200 11.181 1.00 31.79 O ATOM 1196 OD2 ASP B 29 -10.577 59.576 12.241 1.00 32.89 O ATOM 1197 H ASP B 29 -9.823 56.342 10.681 1.00 0.00 H ATOM 1198 N ASP B 30 -9.280 54.515 13.111 1.00 26.89 N ATOM 1199 CA ASP B 30 -9.592 53.491 14.083 1.00 27.11 C ATOM 1200 C ASP B 30 -9.546 52.110 13.447 1.00 26.40 C ATOM 1201 O ASP B 30 -9.664 51.957 12.233 1.00 24.96 O ATOM 1202 CB ASP B 30 -11.004 53.711 14.663 1.00 27.10 C ATOM 1203 CG ASP B 30 -11.154 55.039 15.379 1.00 25.50 C ATOM 1204 OD1 ASP B 30 -10.145 55.639 15.799 1.00 24.35 O ATOM 1205 OD2 ASP B 30 -12.310 55.475 15.525 1.00 26.64 O ATOM 1206 H ASP B 30 -9.828 54.535 12.228 1.00 0.00 H ATOM 1207 N THR B 31 -9.381 51.113 14.306 1.00 26.59 N ATOM 1208 CA THR B 31 -9.280 49.728 13.903 1.00 26.24 C ATOM 1209 C THR B 31 -10.662 49.147 14.010 1.00 27.95 C ATOM 1210 O THR B 31 -11.334 49.330 15.024 1.00 29.83 O ATOM 1211 CB THR B 31 -8.245 48.988 14.804 1.00 24.48 C ATOM 1212 OG1 THR B 31 -6.947 49.500 14.512 1.00 21.87 O ATOM 1213 CG2 THR B 31 -8.223 47.476 14.558 1.00 23.42 C ATOM 1214 HG1 THR B 31 -6.927 50.472 14.700 1.00 0.00 H ATOM 1215 H THR B 31 -9.321 51.339 15.319 1.00 0.00 H ATOM 1216 N ILE B 32 -11.096 48.461 12.961 1.00 28.71 N ATOM 1217 CA ILE B 32 -12.408 47.821 12.952 1.00 29.50 C ATOM 1218 C ILE B 32 -12.340 46.378 12.471 1.00 30.46 C ATOM 1219 O ILE B 32 -11.739 46.094 11.444 1.00 32.78 O ATOM 1220 CB ILE B 32 -13.397 48.547 12.023 1.00 29.88 C ATOM 1221 CG1 ILE B 32 -13.282 50.064 12.198 1.00 29.58 C ATOM 1222 CG2 ILE B 32 -14.812 48.015 12.246 1.00 27.35 C ATOM 1223 CD1 ILE B 32 -14.186 50.855 11.289 1.00 30.72 C ATOM 1224 H ILE B 32 -10.486 48.377 12.123 1.00 0.00 H ATOM 1225 N LEU B 33 -13.009 45.484 13.191 1.00 31.88 N ATOM 1226 CA LEU B 33 -12.996 44.065 12.872 1.00 33.78 C ATOM 1227 C LEU B 33 -14.382 43.556 12.518 1.00 33.80 C ATOM 1228 O LEU B 33 -15.390 44.076 12.998 1.00 34.35 O ATOM 1229 CB LEU B 33 -12.380 43.247 14.031 1.00 33.33 C ATOM 1230 CG LEU B 33 -11.035 43.724 14.628 1.00 34.70 C ATOM 1231 CD1 LEU B 33 -10.699 42.931 15.882 1.00 35.07 C ATOM 1232 CD2 LEU B 33 -9.868 43.670 13.647 1.00 32.42 C ATOM 1233 H LEU B 33 -13.561 45.810 14.010 1.00 0.00 H ATOM 1234 N GLU B 34 -14.420 42.537 11.661 1.00 37.16 N ATOM 1235 CA GLU B 34 -15.672 41.921 11.203 1.00 40.41 C ATOM 1236 C GLU B 34 -16.653 41.566 12.338 1.00 43.15 C ATOM 1237 O GLU B 34 -16.259 41.451 13.507 1.00 40.45 O ATOM 1238 CB GLU B 34 -15.398 40.741 10.267 1.00 39.71 C ATOM 1239 CG GLU B 34 -14.955 41.216 8.890 1.00 44.91 C ATOM 1240 CD GLU B 34 -14.752 40.116 7.855 1.00 50.39 C ATOM 1241 OE1 GLU B 34 -14.935 38.913 8.177 1.00 52.47 O ATOM 1242 OE2 GLU B 34 -14.404 40.472 6.697 1.00 51.15 O ATOM 1243 H GLU B 34 -13.521 42.160 11.299 1.00 0.00 H ATOM 1244 N GLU B 35 -17.933 41.444 11.978 1.00 47.57 N ATOM 1245 CA GLU B 35 -19.019 41.287 12.953 1.00 50.81 C ATOM 1246 C GLU B 35 -18.911 39.947 13.699 1.00 52.76 C ATOM 1247 O GLU B 35 -19.284 39.849 14.871 1.00 56.06 O ATOM 1248 CB GLU B 35 -20.402 41.483 12.276 1.00 53.75 C ATOM 1249 CG GLU B 35 -21.626 41.377 13.197 1.00 58.47 C ATOM 1250 CD GLU B 35 -21.523 42.229 14.470 1.00 65.20 C ATOM 1251 OE1 GLU B 35 -21.094 41.700 15.530 1.00 66.48 O ATOM 1252 OE2 GLU B 35 -21.867 43.433 14.424 1.00 62.81 O ATOM 1253 H GLU B 35 -18.170 41.461 10.966 1.00 0.00 H ATOM 1254 N GLU B 36 -18.360 38.933 13.031 1.00 52.20 N ATOM 1255 CA GLU B 36 -18.186 37.614 13.642 1.00 53.08 C ATOM 1256 C GLU B 36 -17.088 37.558 14.704 1.00 50.68 C ATOM 1257 O GLU B 36 -16.965 36.561 15.401 1.00 53.74 O ATOM 1258 CB GLU B 36 -17.944 36.536 12.580 1.00 53.64 C ATOM 1259 CG GLU B 36 -19.078 36.372 11.576 1.00 53.14 C ATOM 1260 CD GLU B 36 -18.910 37.242 10.329 1.00 56.71 C ATOM 1261 OE1 GLU B 36 -17.984 38.093 10.273 1.00 54.96 O ATOM 1262 OE2 GLU B 36 -19.712 37.068 9.386 1.00 56.66 O ATOM 1263 H GLU B 36 -18.046 39.083 12.051 1.00 0.00 H ATOM 1264 N MET B 37 -16.285 38.610 14.822 1.00 49.03 N ATOM 1265 CA MET B 37 -15.288 38.693 15.891 1.00 51.09 C ATOM 1266 C MET B 37 -15.951 38.664 17.269 1.00 52.63 C ATOM 1267 O MET B 37 -16.819 39.491 17.588 1.00 49.48 O ATOM 1268 CB MET B 37 -14.470 39.976 15.765 1.00 54.91 C ATOM 1269 CG MET B 37 -13.357 40.104 16.788 1.00 56.62 C ATOM 1270 SD MET B 37 -11.990 39.042 16.306 1.00 62.49 S ATOM 1271 CE MET B 37 -10.990 39.064 17.789 1.00 56.35 C ATOM 1272 H MET B 37 -16.366 39.391 14.140 1.00 0.00 H ATOM 1273 N SER B 38 -15.535 37.706 18.084 1.00 53.57 N ATOM 1274 CA SER B 38 -16.056 37.579 19.436 1.00 53.84 C ATOM 1275 C SER B 38 -14.982 37.991 20.430 1.00 51.87 C ATOM 1276 O SER B 38 -14.009 37.262 20.627 1.00 51.66 O ATOM 1277 CB SER B 38 -16.565 36.147 19.694 1.00 59.16 C ATOM 1278 OG SER B 38 -15.777 35.165 19.020 1.00 58.95 O ATOM 1279 HG SER B 38 -14.841 35.221 19.336 1.00 0.00 H ATOM 1280 H SER B 38 -14.820 37.029 17.749 1.00 0.00 H ATOM 1281 N LEU B 39 -15.149 39.180 21.020 1.00 48.22 N ATOM 1282 CA LEU B 39 -14.223 39.711 22.028 1.00 48.04 C ATOM 1283 C LEU B 39 -14.896 39.776 23.403 1.00 49.14 C ATOM 1284 O LEU B 39 -16.019 40.261 23.514 1.00 51.15 O ATOM 1285 CB LEU B 39 -13.708 41.111 21.643 1.00 45.53 C ATOM 1286 CG LEU B 39 -12.569 41.319 20.628 1.00 44.85 C ATOM 1287 CD1 LEU B 39 -12.449 42.794 20.270 1.00 41.80 C ATOM 1288 CD2 LEU B 39 -11.231 40.793 21.139 1.00 42.41 C ATOM 1289 H LEU B 39 -15.973 39.755 20.752 1.00 0.00 H ATOM 1290 N PRO B 40 -14.207 39.304 24.458 1.00 50.81 N ATOM 1291 CA PRO B 40 -14.801 39.317 25.794 1.00 51.34 C ATOM 1292 C PRO B 40 -14.664 40.674 26.500 1.00 51.95 C ATOM 1293 O PRO B 40 -13.740 41.431 26.201 1.00 50.58 O ATOM 1294 CB PRO B 40 -13.984 38.259 26.531 1.00 52.04 C ATOM 1295 CG PRO B 40 -12.626 38.362 25.910 1.00 52.22 C ATOM 1296 CD PRO B 40 -12.841 38.742 24.469 1.00 49.94 C ATOM 1297 N GLY B 41 -15.581 40.970 27.423 1.00 52.05 N ATOM 1298 CA GLY B 41 -15.522 42.187 28.232 1.00 51.34 C ATOM 1299 C GLY B 41 -16.678 43.165 28.047 1.00 55.40 C ATOM 1300 O GLY B 41 -17.659 42.887 27.331 1.00 51.90 O ATOM 1301 H GLY B 41 -16.369 40.309 27.573 1.00 0.00 H ATOM 1302 N ARG B 42 -16.558 44.313 28.716 1.00 53.86 N ATOM 1303 CA ARG B 42 -17.489 45.422 28.536 1.00 54.88 C ATOM 1304 C ARG B 42 -17.100 46.241 27.303 1.00 57.82 C ATOM 1305 O ARG B 42 -15.941 46.232 26.859 1.00 57.65 O ATOM 1306 CB ARG B 42 -17.524 46.322 29.777 1.00 50.74 C ATOM 1307 H ARG B 42 -15.773 44.421 29.390 1.00 0.00 H ATOM 1308 N TRP B 43 -18.082 46.949 26.757 1.00 58.02 N ATOM 1309 CA TRP B 43 -17.878 47.817 25.606 1.00 55.80 C ATOM 1310 C TRP B 43 -18.836 48.973 25.639 1.00 58.65 C ATOM 1311 O TRP B 43 -19.899 48.887 26.258 1.00 60.34 O ATOM 1312 CB TRP B 43 -18.039 47.027 24.315 1.00 53.48 C ATOM 1313 CG TRP B 43 -19.363 46.325 24.198 1.00 52.59 C ATOM 1314 CD1 TRP B 43 -19.667 45.017 24.561 1.00 53.36 C ATOM 1315 CD2 TRP B 43 -20.612 46.877 23.665 1.00 53.95 C ATOM 1316 NE1 TRP B 43 -20.984 44.731 24.302 1.00 54.13 N ATOM 1317 CE2 TRP B 43 -21.607 45.803 23.760 1.00 55.49 C ATOM 1318 CE3 TRP B 43 -20.993 48.108 23.137 1.00 56.01 C ATOM 1319 CZ2 TRP B 43 -22.921 45.979 23.340 1.00 57.33 C ATOM 1320 CZ3 TRP B 43 -22.323 48.274 22.724 1.00 58.49 C ATOM 1321 CH2 TRP B 43 -23.260 47.232 22.821 1.00 56.27 C ATOM 1322 HE1 TRP B 43 -21.440 43.817 24.496 1.00 0.00 H ATOM 1323 H TRP B 43 -19.035 46.881 27.168 1.00 0.00 H ATOM 1324 N THR B 44 -18.466 50.071 24.984 1.00 56.46 N ATOM 1325 CA THR B 44 -19.348 51.222 24.870 1.00 56.70 C ATOM 1326 C THR B 44 -19.877 51.359 23.424 1.00 59.53 C ATOM 1327 O THR B 44 -19.114 51.195 22.457 1.00 54.33 O ATOM 1328 CB THR B 44 -18.685 52.523 25.390 1.00 56.69 C ATOM 1329 OG1 THR B 44 -17.413 52.707 24.769 1.00 55.53 O ATOM 1330 CG2 THR B 44 -18.475 52.459 26.911 1.00 58.09 C ATOM 1331 HG1 THR B 44 -16.999 53.540 25.108 1.00 0.00 H ATOM 1332 H THR B 44 -17.525 50.107 24.544 1.00 0.00 H ATOM 1333 N PRO B 45 -21.200 51.612 23.271 1.00 61.73 N ATOM 1334 CA PRO B 45 -21.781 51.764 21.933 1.00 56.09 C ATOM 1335 C PRO B 45 -21.165 52.961 21.239 1.00 52.26 C ATOM 1336 O PRO B 45 -20.928 53.990 21.874 1.00 52.45 O ATOM 1337 CB PRO B 45 -23.265 52.020 22.219 1.00 58.00 C ATOM 1338 CG PRO B 45 -23.298 52.554 23.619 1.00 60.57 C ATOM 1339 CD PRO B 45 -22.215 51.798 24.328 1.00 60.78 C ATOM 1340 N LYS B 46 -20.860 52.801 19.958 1.00 48.36 N ATOM 1341 CA LYS B 46 -20.346 53.900 19.150 1.00 46.53 C ATOM 1342 C LYS B 46 -20.819 53.691 17.708 1.00 42.48 C ATOM 1343 O LYS B 46 -21.352 52.636 17.352 1.00 42.79 O ATOM 1344 CB LYS B 46 -18.805 54.034 19.279 1.00 48.30 C ATOM 1345 CG LYS B 46 -18.202 55.324 18.713 1.00 52.14 C ATOM 1346 CD LYS B 46 -16.736 55.527 19.091 1.00 54.80 C ATOM 1347 CE LYS B 46 -15.862 55.978 17.910 1.00 57.89 C ATOM 1348 NZ LYS B 46 -16.148 57.338 17.345 1.00 56.35 N ATOM 1349 HZ1 LYS B 46 -17.129 57.370 17.001 1.00 0.00 H ATOM 1350 HZ2 LYS B 46 -16.016 58.055 18.087 1.00 0.00 H ATOM 1351 HZ3 LYS B 46 -15.497 57.529 16.557 1.00 0.00 H ATOM 1352 H LYS B 46 -20.991 51.867 19.519 1.00 0.00 H ATOM 1353 N VAL B 47 -20.669 54.723 16.894 1.00 40.85 N ATOM 1354 CA VAL B 47 -21.057 54.675 15.494 1.00 38.48 C ATOM 1355 C VAL B 47 -19.880 55.287 14.739 1.00 37.69 C ATOM 1356 O VAL B 47 -19.266 56.249 15.219 1.00 41.05 O ATOM 1357 CB VAL B 47 -22.394 55.438 15.262 1.00 37.78 C ATOM 1358 CG1 VAL B 47 -22.663 55.629 13.786 1.00 37.25 C ATOM 1359 CG2 VAL B 47 -23.571 54.700 15.904 1.00 35.19 C ATOM 1360 H VAL B 47 -20.258 55.601 17.270 1.00 0.00 H ATOM 1361 N VAL B 48 -19.549 54.704 13.589 1.00 34.71 N ATOM 1362 CA VAL B 48 -18.383 55.089 12.779 1.00 32.72 C ATOM 1363 C VAL B 48 -18.891 55.518 11.408 1.00 33.16 C ATOM 1364 O VAL B 48 -19.862 54.958 10.907 1.00 30.56 O ATOM 1365 CB VAL B 48 -17.420 53.876 12.611 1.00 35.43 C ATOM 1366 CG1 VAL B 48 -16.274 54.163 11.656 1.00 36.47 C ATOM 1367 CG2 VAL B 48 -16.837 53.472 13.941 1.00 34.90 C ATOM 1368 H VAL B 48 -20.151 53.930 13.242 1.00 0.00 H ATOM 1369 N GLY B 49 -18.232 56.502 10.796 1.00 33.33 N ATOM 1370 CA GLY B 49 -18.685 57.031 9.508 1.00 34.80 C ATOM 1371 C GLY B 49 -17.702 56.870 8.363 1.00 37.91 C ATOM 1372 O GLY B 49 -16.485 57.021 8.541 1.00 39.06 O ATOM 1373 H GLY B 49 -17.381 56.901 11.241 1.00 0.00 H ATOM 1374 N GLY B 50 -18.226 56.587 7.177 1.00 34.56 N ATOM 1375 CA GLY B 50 -17.378 56.342 6.027 1.00 34.08 C ATOM 1376 C GLY B 50 -18.088 56.606 4.733 1.00 36.04 C ATOM 1377 O GLY B 50 -19.077 57.349 4.700 1.00 37.36 O ATOM 1378 H GLY B 50 -19.260 56.540 7.071 1.00 0.00 H ATOM 1379 N ILE B 51 -17.574 55.989 3.667 1.00 35.76 N ATOM 1380 CA ILE B 51 -18.185 56.038 2.346 1.00 36.44 C ATOM 1381 C ILE B 51 -19.462 55.183 2.371 1.00 37.21 C ATOM 1382 O ILE B 51 -19.423 53.993 2.657 1.00 39.82 O ATOM 1383 CB ILE B 51 -17.161 55.577 1.268 1.00 36.83 C ATOM 1384 CG1 ILE B 51 -16.281 56.765 0.864 1.00 34.76 C ATOM 1385 CG2 ILE B 51 -17.840 54.981 0.036 1.00 36.59 C ATOM 1386 CD1 ILE B 51 -15.208 56.434 -0.136 1.00 36.16 C ATOM 1387 H ILE B 51 -16.694 55.447 3.785 1.00 0.00 H ATOM 1388 N GLY B 52 -20.602 55.782 2.104 1.00 36.86 N ATOM 1389 CA GLY B 52 -21.841 55.012 2.219 1.00 37.84 C ATOM 1390 C GLY B 52 -22.636 55.368 3.456 1.00 37.03 C ATOM 1391 O GLY B 52 -23.821 55.067 3.550 1.00 40.20 O ATOM 1392 H GLY B 52 -20.622 56.781 1.817 1.00 0.00 H ATOM 1393 N GLY B 53 -21.995 56.020 4.413 1.00 34.75 N ATOM 1394 CA GLY B 53 -22.721 56.501 5.568 1.00 33.61 C ATOM 1395 C GLY B 53 -22.105 56.094 6.883 1.00 33.30 C ATOM 1396 O GLY B 53 -20.892 56.188 7.078 1.00 35.12 O ATOM 1397 H GLY B 53 -20.971 56.186 4.335 1.00 0.00 H ATOM 1398 N PHE B 54 -22.944 55.618 7.783 1.00 31.53 N ATOM 1399 CA PHE B 54 -22.529 55.320 9.145 1.00 32.25 C ATOM 1400 C PHE B 54 -22.797 53.866 9.514 1.00 33.11 C ATOM 1401 O PHE B 54 -23.680 53.213 8.933 1.00 34.37 O ATOM 1402 CB PHE B 54 -23.256 56.257 10.123 1.00 32.84 C ATOM 1403 CG PHE B 54 -24.740 56.020 10.207 1.00 33.35 C ATOM 1404 CD1 PHE B 54 -25.579 56.408 9.179 1.00 34.31 C ATOM 1405 CD2 PHE B 54 -25.296 55.420 11.320 1.00 33.53 C ATOM 1406 CE1 PHE B 54 -26.944 56.195 9.257 1.00 34.96 C ATOM 1407 CE2 PHE B 54 -26.655 55.207 11.405 1.00 34.09 C ATOM 1408 CZ PHE B 54 -27.482 55.589 10.372 1.00 34.08 C ATOM 1409 H PHE B 54 -23.933 55.451 7.510 1.00 0.00 H ATOM 1410 N MET B 55 -22.055 53.348 10.480 1.00 33.41 N ATOM 1411 CA MET B 55 -22.401 52.024 10.984 1.00 35.31 C ATOM 1412 C MET B 55 -22.190 51.881 12.488 1.00 33.29 C ATOM 1413 O MET B 55 -21.291 52.488 13.061 1.00 34.72 O ATOM 1414 CB MET B 55 -21.708 50.920 10.180 1.00 35.87 C ATOM 1415 CG MET B 55 -20.269 50.676 10.556 1.00 35.92 C ATOM 1416 SD MET B 55 -19.706 49.047 10.023 1.00 36.90 S ATOM 1417 CE MET B 55 -18.127 49.050 10.862 1.00 35.63 C ATOM 1418 H MET B 55 -21.246 53.872 10.870 1.00 0.00 H ATOM 1419 N LYS B 56 -23.047 51.106 13.127 1.00 33.84 N ATOM 1420 CA LYS B 56 -22.968 50.943 14.572 1.00 37.69 C ATOM 1421 C LYS B 56 -21.885 49.919 14.940 1.00 37.00 C ATOM 1422 O LYS B 56 -21.721 48.910 14.253 1.00 36.32 O ATOM 1423 CB LYS B 56 -24.346 50.595 15.143 1.00 40.00 C ATOM 1424 CG LYS B 56 -25.441 51.494 14.573 1.00 44.56 C ATOM 1425 CD LYS B 56 -26.833 51.133 15.066 1.00 48.30 C ATOM 1426 CE LYS B 56 -27.286 52.089 16.161 1.00 50.41 C ATOM 1427 NZ LYS B 56 -28.772 52.199 16.208 1.00 49.81 N ATOM 1428 HZ1 LYS B 56 -29.121 52.554 15.295 1.00 0.00 H ATOM 1429 HZ2 LYS B 56 -29.182 51.262 16.397 1.00 0.00 H ATOM 1430 HZ3 LYS B 56 -29.046 52.858 16.965 1.00 0.00 H ATOM 1431 H LYS B 56 -23.786 50.607 12.593 1.00 0.00 H ATOM 1432 N VAL B 57 -21.116 50.216 15.986 1.00 38.78 N ATOM 1433 CA VAL B 57 -20.027 49.331 16.445 1.00 39.35 C ATOM 1434 C VAL B 57 -19.935 49.231 17.982 1.00 41.92 C ATOM 1435 O VAL B 57 -20.391 50.134 18.718 1.00 39.50 O ATOM 1436 CB VAL B 57 -18.634 49.763 15.915 1.00 38.03 C ATOM 1437 CG1 VAL B 57 -18.576 49.763 14.394 1.00 37.45 C ATOM 1438 CG2 VAL B 57 -18.233 51.120 16.482 1.00 36.84 C ATOM 1439 H VAL B 57 -21.289 51.104 16.499 1.00 0.00 H ATOM 1440 N ARG B 58 -19.334 48.128 18.440 1.00 42.30 N ATOM 1441 CA ARG B 58 -18.905 47.946 19.837 1.00 40.43 C ATOM 1442 C ARG B 58 -17.462 48.413 20.003 1.00 37.69 C ATOM 1443 O ARG B 58 -16.561 47.960 19.288 1.00 39.70 O ATOM 1444 CB ARG B 58 -19.019 46.473 20.244 1.00 41.18 C ATOM 1445 CG ARG B 58 -20.396 45.888 19.998 1.00 46.98 C ATOM 1446 CD ARG B 58 -20.442 44.371 20.098 1.00 52.22 C ATOM 1447 NE ARG B 58 -21.754 43.975 20.607 1.00 61.90 N ATOM 1448 CZ ARG B 58 -21.967 43.133 21.620 1.00 67.68 C ATOM 1449 NH1 ARG B 58 -20.944 42.534 22.235 1.00 67.93 N ATOM 1450 NH2 ARG B 58 -23.216 42.870 22.002 1.00 64.75 N ATOM 1451 HE ARG B 58 -22.590 44.383 20.141 1.00 0.00 H ATOM 1452 HH12 ARG B 58 -21.122 41.880 23.023 1.00 0.00 H ATOM 1453 HH11 ARG B 58 -19.969 42.722 21.926 1.00 0.00 H ATOM 1454 HH22 ARG B 58 -23.392 42.215 22.791 1.00 0.00 H ATOM 1455 HH21 ARG B 58 -24.015 43.320 21.512 1.00 0.00 H ATOM 1456 H ARG B 58 -19.159 47.352 17.770 1.00 0.00 H ATOM 1457 N GLN B 59 -17.240 49.319 20.941 1.00 35.68 N ATOM 1458 CA GLN B 59 -15.902 49.785 21.239 1.00 36.64 C ATOM 1459 C GLN B 59 -15.304 48.978 22.394 1.00 38.51 C ATOM 1460 O GLN B 59 -15.840 48.990 23.510 1.00 37.97 O ATOM 1461 CB GLN B 59 -15.900 51.287 21.568 1.00 37.70 C ATOM 1462 CG GLN B 59 -14.609 51.768 22.229 1.00 38.17 C ATOM 1463 CD GLN B 59 -14.416 53.265 22.156 1.00 42.13 C ATOM 1464 OE1 GLN B 59 -15.030 53.945 21.333 1.00 45.22 O ATOM 1465 NE2 GLN B 59 -13.552 53.794 23.024 1.00 43.78 N ATOM 1466 HE22 GLN B 59 -13.055 53.182 23.702 1.00 0.00 H ATOM 1467 HE21 GLN B 59 -13.375 54.819 23.023 1.00 0.00 H ATOM 1468 H GLN B 59 -18.044 49.705 21.476 1.00 0.00 H ATOM 1469 N TYR B 60 -14.192 48.293 22.112 1.00 38.70 N ATOM 1470 CA TYR B 60 -13.436 47.535 23.120 1.00 38.50 C ATOM 1471 C TYR B 60 -12.068 48.172 23.369 1.00 38.87 C ATOM 1472 O TYR B 60 -11.240 48.278 22.459 1.00 39.55 O ATOM 1473 CB TYR B 60 -13.228 46.093 22.670 1.00 37.87 C ATOM 1474 CG TYR B 60 -14.465 45.241 22.544 1.00 37.78 C ATOM 1475 CD1 TYR B 60 -14.942 44.501 23.634 1.00 39.40 C ATOM 1476 CD2 TYR B 60 -15.131 45.126 21.327 1.00 37.43 C ATOM 1477 CE1 TYR B 60 -16.066 43.695 23.519 1.00 39.06 C ATOM 1478 CE2 TYR B 60 -16.254 44.320 21.197 1.00 38.15 C ATOM 1479 CZ TYR B 60 -16.720 43.608 22.292 1.00 40.97 C ATOM 1480 OH TYR B 60 -17.835 42.806 22.159 1.00 42.09 O ATOM 1481 HH TYR B 60 -18.033 42.372 23.026 1.00 0.00 H ATOM 1482 H TYR B 60 -13.844 48.296 21.132 1.00 0.00 H ATOM 1483 N ASP B 61 -11.845 48.602 24.603 1.00 38.39 N ATOM 1484 CA ASP B 61 -10.601 49.256 24.994 1.00 39.04 C ATOM 1485 C ASP B 61 -9.530 48.228 25.370 1.00 37.13 C ATOM 1486 O ASP B 61 -9.850 47.101 25.749 1.00 36.34 O ATOM 1487 CB ASP B 61 -10.847 50.183 26.195 1.00 41.13 C ATOM 1488 CG ASP B 61 -11.611 51.449 25.826 1.00 44.37 C ATOM 1489 OD1 ASP B 61 -11.881 51.665 24.624 1.00 43.34 O ATOM 1490 OD2 ASP B 61 -11.927 52.238 26.749 1.00 42.54 O ATOM 1491 H ASP B 61 -12.586 48.468 25.320 1.00 0.00 H ATOM 1492 N GLN B 62 -8.266 48.635 25.258 1.00 35.05 N ATOM 1493 CA GLN B 62 -7.135 47.869 25.776 1.00 36.11 C ATOM 1494 C GLN B 62 -7.115 46.417 25.343 1.00 34.28 C ATOM 1495 O GLN B 62 -7.014 45.530 26.175 1.00 35.43 O ATOM 1496 CB GLN B 62 -7.090 47.966 27.292 1.00 39.17 C ATOM 1497 CG GLN B 62 -7.013 49.397 27.780 1.00 43.96 C ATOM 1498 CD GLN B 62 -7.320 49.493 29.254 1.00 48.75 C ATOM 1499 OE1 GLN B 62 -8.488 49.544 29.655 1.00 52.53 O ATOM 1500 NE2 GLN B 62 -6.275 49.516 30.075 1.00 50.85 N ATOM 1501 HE22 GLN B 62 -5.310 49.471 29.690 1.00 0.00 H ATOM 1502 HE21 GLN B 62 -6.422 49.579 31.103 1.00 0.00 H ATOM 1503 H GLN B 62 -8.076 49.539 24.780 1.00 0.00 H ATOM 1504 N ILE B 63 -7.215 46.200 24.035 1.00 32.46 N ATOM 1505 CA ILE B 63 -7.171 44.881 23.423 1.00 31.69 C ATOM 1506 C ILE B 63 -5.781 44.651 22.861 1.00 29.55 C ATOM 1507 O ILE B 63 -5.240 45.516 22.176 1.00 28.32 O ATOM 1508 CB ILE B 63 -8.220 44.744 22.283 1.00 31.54 C ATOM 1509 CG1 ILE B 63 -9.643 44.942 22.824 1.00 34.54 C ATOM 1510 CG2 ILE B 63 -8.078 43.426 21.537 1.00 31.09 C ATOM 1511 CD1 ILE B 63 -10.020 44.055 24.006 1.00 36.15 C ATOM 1512 H ILE B 63 -7.332 47.024 23.411 1.00 0.00 H ATOM 1513 N LEU B 64 -5.212 43.483 23.164 1.00 27.74 N ATOM 1514 CA LEU B 64 -3.917 43.101 22.636 1.00 26.67 C ATOM 1515 C LEU B 64 -4.076 42.537 21.212 1.00 27.14 C ATOM 1516 O LEU B 64 -4.857 41.613 20.979 1.00 29.85 O ATOM 1517 CB LEU B 64 -3.247 42.094 23.569 1.00 25.11 C ATOM 1518 CG LEU B 64 -1.973 41.383 23.110 1.00 24.60 C ATOM 1519 CD1 LEU B 64 -0.763 42.311 23.231 1.00 23.80 C ATOM 1520 CD2 LEU B 64 -1.768 40.123 23.938 1.00 23.03 C ATOM 1521 H LEU B 64 -5.712 42.827 23.798 1.00 0.00 H ATOM 1522 N VAL B 65 -3.316 43.102 20.281 1.00 27.00 N ATOM 1523 CA VAL B 65 -3.349 42.746 18.872 1.00 26.64 C ATOM 1524 C VAL B 65 -1.928 42.374 18.511 1.00 26.21 C ATOM 1525 O VAL B 65 -0.988 43.091 18.860 1.00 26.91 O ATOM 1526 CB VAL B 65 -3.835 43.948 18.012 1.00 27.47 C ATOM 1527 CG1 VAL B 65 -3.765 43.651 16.525 1.00 26.44 C ATOM 1528 CG2 VAL B 65 -5.255 44.373 18.397 1.00 27.88 C ATOM 1529 H VAL B 65 -2.655 43.847 20.579 1.00 0.00 H ATOM 1530 N GLU B 66 -1.755 41.224 17.863 1.00 27.45 N ATOM 1531 CA GLU B 66 -0.436 40.832 17.349 1.00 30.83 C ATOM 1532 C GLU B 66 -0.425 40.978 15.831 1.00 31.95 C ATOM 1533 O GLU B 66 -1.081 40.202 15.151 1.00 30.88 O ATOM 1534 CB GLU B 66 -0.073 39.410 17.794 1.00 31.24 C ATOM 1535 CG GLU B 66 0.308 39.371 19.261 1.00 34.35 C ATOM 1536 CD GLU B 66 0.555 37.978 19.807 1.00 33.67 C ATOM 1537 OE1 GLU B 66 1.324 37.222 19.172 1.00 33.74 O ATOM 1538 OE2 GLU B 66 -0.014 37.662 20.882 1.00 31.57 O ATOM 1539 H GLU B 66 -2.568 40.592 17.718 1.00 0.00 H ATOM 1540 N ILE B 67 0.291 41.996 15.319 1.00 34.70 N ATOM 1541 CA ILE B 67 0.279 42.379 13.891 1.00 35.17 C ATOM 1542 C ILE B 67 1.646 42.148 13.257 1.00 38.07 C ATOM 1543 O ILE B 67 2.555 42.955 13.471 1.00 39.32 O ATOM 1544 CB ILE B 67 0.041 43.899 13.685 1.00 35.42 C ATOM 1545 CG1 ILE B 67 -0.892 44.515 14.714 1.00 37.90 C ATOM 1546 CG2 ILE B 67 -0.411 44.211 12.258 1.00 36.24 C ATOM 1547 CD1 ILE B 67 -1.066 46.019 14.527 1.00 39.15 C ATOM 1548 H ILE B 67 0.889 42.547 15.967 1.00 0.00 H ATOM 1549 N CYS B 68 1.788 41.096 12.445 1.00 40.95 N ATOM 1550 CA CYS B 68 3.114 40.633 11.965 1.00 41.49 C ATOM 1551 C CYS B 68 4.063 40.330 13.177 1.00 46.87 C ATOM 1552 O CYS B 68 5.269 40.643 13.154 1.00 44.47 O ATOM 1553 CB CYS B 68 3.729 41.641 10.967 1.00 40.54 C ATOM 1554 SG CYS B 68 4.484 40.961 9.458 1.00 37.61 S ATOM 1555 H CYS B 68 0.937 40.582 12.138 1.00 0.00 H ATOM 1556 N GLY B 69 3.510 39.729 14.240 1.00 45.84 N ATOM 1557 CA GLY B 69 4.318 39.410 15.429 1.00 48.94 C ATOM 1558 C GLY B 69 4.579 40.544 16.429 1.00 51.96 C ATOM 1559 O GLY B 69 4.861 40.278 17.610 1.00 54.55 O ATOM 1560 H GLY B 69 2.499 39.485 14.225 1.00 0.00 H ATOM 1561 N HIS B 70 4.528 41.798 15.965 1.00 45.89 N ATOM 1562 CA HIS B 70 4.615 42.971 16.841 1.00 43.85 C ATOM 1563 C HIS B 70 3.420 42.966 17.783 1.00 39.71 C ATOM 1564 O HIS B 70 2.290 42.807 17.342 1.00 41.03 O ATOM 1565 CB HIS B 70 4.587 44.225 15.970 1.00 44.08 C ATOM 1566 CG HIS B 70 5.376 45.389 16.519 1.00 48.74 C ATOM 1567 ND1 HIS B 70 5.138 45.927 17.743 1.00 49.06 N ATOM 1568 CD2 HIS B 70 6.401 46.158 15.939 1.00 47.82 C ATOM 1569 CE1 HIS B 70 5.986 46.966 17.950 1.00 48.03 C ATOM 1570 NE2 HIS B 70 6.758 47.105 16.844 1.00 48.69 N ATOM 1571 H HIS B 70 4.422 41.947 14.941 1.00 0.00 H ATOM 1572 N LYS B 71 3.629 43.141 19.082 1.00 37.06 N ATOM 1573 CA LYS B 71 2.478 43.261 19.998 1.00 33.68 C ATOM 1574 C LYS B 71 2.093 44.713 20.227 1.00 31.58 C ATOM 1575 O LYS B 71 2.946 45.549 20.539 1.00 32.67 O ATOM 1576 CB LYS B 71 2.732 42.561 21.336 1.00 32.71 C ATOM 1577 CG LYS B 71 2.556 41.068 21.265 1.00 32.50 C ATOM 1578 CD LYS B 71 3.481 40.369 22.236 1.00 33.86 C ATOM 1579 CE LYS B 71 3.319 38.869 22.130 1.00 35.86 C ATOM 1580 NZ LYS B 71 4.590 38.173 22.458 1.00 39.85 N ATOM 1581 HZ1 LYS B 71 5.331 38.477 21.795 1.00 0.00 H ATOM 1582 HZ2 LYS B 71 4.873 38.411 23.430 1.00 0.00 H ATOM 1583 HZ3 LYS B 71 4.452 37.145 22.378 1.00 0.00 H ATOM 1584 H LYS B 71 4.599 43.193 19.453 1.00 0.00 H ATOM 1585 N VAL B 72 0.808 45.008 20.059 1.00 28.87 N ATOM 1586 CA VAL B 72 0.290 46.356 20.292 1.00 29.94 C ATOM 1587 C VAL B 72 -0.980 46.271 21.133 1.00 29.81 C ATOM 1588 O VAL B 72 -1.638 45.231 21.180 1.00 30.00 O ATOM 1589 CB VAL B 72 0.042 47.160 18.973 1.00 29.67 C ATOM 1590 CG1 VAL B 72 1.299 47.228 18.124 1.00 28.76 C ATOM 1591 CG2 VAL B 72 -1.107 46.581 18.154 1.00 29.01 C ATOM 1592 H VAL B 72 0.153 44.260 19.754 1.00 0.00 H ATOM 1593 N ILE B 73 -1.310 47.356 21.817 1.00 29.87 N ATOM 1594 CA ILE B 73 -2.523 47.403 22.625 1.00 31.01 C ATOM 1595 C ILE B 73 -3.281 48.672 22.283 1.00 32.03 C ATOM 1596 O ILE B 73 -2.704 49.763 22.193 1.00 32.09 O ATOM 1597 CB ILE B 73 -2.228 47.281 24.153 1.00 31.36 C ATOM 1598 CG1 ILE B 73 -1.832 45.830 24.490 1.00 32.67 C ATOM 1599 CG2 ILE B 73 -3.430 47.697 24.984 1.00 29.74 C ATOM 1600 CD1 ILE B 73 -1.833 45.472 25.960 1.00 34.47 C ATOM 1601 H ILE B 73 -0.692 48.191 21.777 1.00 0.00 H ATOM 1602 N GLY B 74 -4.573 48.531 22.060 1.00 32.04 N ATOM 1603 CA GLY B 74 -5.380 49.708 21.835 1.00 32.99 C ATOM 1604 C GLY B 74 -6.835 49.362 21.691 1.00 32.48 C ATOM 1605 O GLY B 74 -7.229 48.199 21.824 1.00 32.12 O ATOM 1606 H GLY B 74 -5.005 47.585 22.046 1.00 0.00 H ATOM 1607 N THR B 75 -7.622 50.395 21.414 1.00 31.78 N ATOM 1608 CA THR B 75 -9.034 50.246 21.164 1.00 31.63 C ATOM 1609 C THR B 75 -9.259 49.551 19.821 1.00 30.33 C ATOM 1610 O THR B 75 -8.608 49.875 18.823 1.00 28.88 O ATOM 1611 CB THR B 75 -9.734 51.618 21.217 1.00 31.13 C ATOM 1612 OG1 THR B 75 -9.579 52.157 22.533 1.00 32.73 O ATOM 1613 CG2 THR B 75 -11.214 51.507 20.895 1.00 31.20 C ATOM 1614 HG1 THR B 75 -8.615 52.261 22.734 1.00 0.00 H ATOM 1615 H THR B 75 -7.204 51.347 21.376 1.00 0.00 H ATOM 1616 N VAL B 76 -10.171 48.584 19.836 1.00 29.27 N ATOM 1617 CA VAL B 76 -10.635 47.890 18.650 1.00 29.87 C ATOM 1618 C VAL B 76 -12.157 48.077 18.561 1.00 32.82 C ATOM 1619 O VAL B 76 -12.868 47.939 19.567 1.00 34.50 O ATOM 1620 CB VAL B 76 -10.318 46.378 18.744 1.00 29.37 C ATOM 1621 CG1 VAL B 76 -11.156 45.574 17.762 1.00 29.66 C ATOM 1622 CG2 VAL B 76 -8.838 46.110 18.521 1.00 29.28 C ATOM 1623 H VAL B 76 -10.576 48.309 20.753 1.00 0.00 H ATOM 1624 N LEU B 77 -12.657 48.402 17.369 1.00 32.55 N ATOM 1625 CA LEU B 77 -14.098 48.455 17.106 1.00 31.12 C ATOM 1626 C LEU B 77 -14.562 47.194 16.413 1.00 30.73 C ATOM 1627 O LEU B 77 -13.874 46.688 15.524 1.00 31.95 O ATOM 1628 CB LEU B 77 -14.461 49.691 16.267 1.00 29.41 C ATOM 1629 CG LEU B 77 -13.962 51.045 16.778 1.00 30.14 C ATOM 1630 CD1 LEU B 77 -14.518 52.187 15.925 1.00 29.19 C ATOM 1631 CD2 LEU B 77 -14.295 51.257 18.257 1.00 28.61 C ATOM 1632 H LEU B 77 -11.999 48.627 16.595 1.00 0.00 H ATOM 1633 N VAL B 78 -15.724 46.678 16.811 1.00 30.93 N ATOM 1634 CA VAL B 78 -16.292 45.496 16.152 1.00 31.01 C ATOM 1635 C VAL B 78 -17.658 45.809 15.538 1.00 33.22 C ATOM 1636 O VAL B 78 -18.504 46.455 16.159 1.00 35.10 O ATOM 1637 CB VAL B 78 -16.432 44.304 17.122 1.00 32.39 C ATOM 1638 CG1 VAL B 78 -17.050 43.105 16.404 1.00 32.13 C ATOM 1639 CG2 VAL B 78 -15.088 43.931 17.724 1.00 30.68 C ATOM 1640 H VAL B 78 -16.237 47.120 17.601 1.00 0.00 H ATOM 1641 N GLY B 79 -17.881 45.358 14.315 1.00 32.60 N ATOM 1642 CA GLY B 79 -19.131 45.658 13.643 1.00 33.36 C ATOM 1643 C GLY B 79 -19.122 45.187 12.208 1.00 36.82 C ATOM 1644 O GLY B 79 -18.128 44.611 11.743 1.00 37.41 O ATOM 1645 H GLY B 79 -17.158 44.786 13.833 1.00 0.00 H ATOM 1646 N PRO B 80 -20.218 45.451 11.482 1.00 37.59 N ATOM 1647 CA PRO B 80 -20.438 44.811 10.187 1.00 36.07 C ATOM 1648 C PRO B 80 -19.616 45.383 9.024 1.00 35.96 C ATOM 1649 O PRO B 80 -20.147 45.546 7.925 1.00 35.83 O ATOM 1650 CB PRO B 80 -21.940 44.989 9.960 1.00 37.75 C ATOM 1651 CG PRO B 80 -22.332 46.174 10.775 1.00 36.72 C ATOM 1652 CD PRO B 80 -21.312 46.364 11.861 1.00 38.05 C ATOM 1653 N THR B 81 -18.333 45.668 9.277 1.00 33.53 N ATOM 1654 CA THR B 81 -17.382 46.140 8.259 1.00 31.63 C ATOM 1655 C THR B 81 -17.138 45.076 7.177 1.00 32.30 C ATOM 1656 O THR B 81 -17.140 43.889 7.477 1.00 32.71 O ATOM 1657 CB THR B 81 -16.017 46.536 8.894 1.00 30.81 C ATOM 1658 OG1 THR B 81 -15.055 46.797 7.864 1.00 28.20 O ATOM 1659 CG2 THR B 81 -15.457 45.418 9.800 1.00 29.68 C ATOM 1660 HG1 THR B 81 -14.191 47.048 8.277 1.00 0.00 H ATOM 1661 H THR B 81 -17.988 45.549 10.251 1.00 0.00 H ATOM 1662 N PRO B 82 -16.920 45.497 5.919 1.00 33.49 N ATOM 1663 CA PRO B 82 -16.612 44.542 4.845 1.00 32.72 C ATOM 1664 C PRO B 82 -15.192 43.969 4.924 1.00 32.91 C ATOM 1665 O PRO B 82 -14.893 42.976 4.255 1.00 34.09 O ATOM 1666 CB PRO B 82 -16.734 45.387 3.565 1.00 32.22 C ATOM 1667 CG PRO B 82 -17.387 46.662 3.971 1.00 34.46 C ATOM 1668 CD PRO B 82 -17.037 46.880 5.405 1.00 34.70 C ATOM 1669 N ALA B 83 -14.319 44.610 5.705 1.00 32.06 N ATOM 1670 CA ALA B 83 -12.923 44.188 5.815 1.00 30.72 C ATOM 1671 C ALA B 83 -12.386 44.510 7.186 1.00 28.05 C ATOM 1672 O ALA B 83 -12.670 45.557 7.741 1.00 29.12 O ATOM 1673 CB ALA B 83 -12.068 44.869 4.741 1.00 32.90 C ATOM 1674 H ALA B 83 -14.641 45.434 6.251 1.00 0.00 H ATOM 1675 N ASN B 84 -11.614 43.593 7.744 1.00 28.67 N ATOM 1676 CA ASN B 84 -10.817 43.908 8.913 1.00 26.95 C ATOM 1677 C ASN B 84 -9.832 45.043 8.547 1.00 25.85 C ATOM 1678 O ASN B 84 -9.143 44.967 7.522 1.00 25.26 O ATOM 1679 CB ASN B 84 -10.100 42.649 9.414 1.00 26.88 C ATOM 1680 CG ASN B 84 -11.073 41.507 9.722 1.00 28.06 C ATOM 1681 OD1 ASN B 84 -12.130 41.725 10.339 1.00 26.06 O ATOM 1682 ND2 ASN B 84 -10.711 40.281 9.315 1.00 24.29 N ATOM 1683 HD22 ASN B 84 -9.817 40.147 8.801 1.00 0.00 H ATOM 1684 HD21 ASN B 84 -11.325 39.465 9.513 1.00 0.00 H ATOM 1685 H ASN B 84 -11.578 42.635 7.340 1.00 0.00 H ATOM 1686 N ILE B 85 -9.809 46.085 9.379 1.00 24.73 N ATOM 1687 CA ILE B 85 -9.082 47.325 9.115 1.00 25.27 C ATOM 1688 C ILE B 85 -8.208 47.712 10.307 1.00 24.21 C ATOM 1689 O ILE B 85 -8.719 47.927 11.396 1.00 23.58 O ATOM 1690 CB ILE B 85 -10.077 48.493 8.870 1.00 25.70 C ATOM 1691 CG1 ILE B 85 -10.801 48.342 7.534 1.00 25.80 C ATOM 1692 CG2 ILE B 85 -9.394 49.861 8.938 1.00 25.95 C ATOM 1693 CD1 ILE B 85 -11.946 49.340 7.436 1.00 26.06 C ATOM 1694 H ILE B 85 -10.341 46.011 10.270 1.00 0.00 H ATOM 1695 N ILE B 86 -6.902 47.850 10.083 1.00 24.15 N ATOM 1696 CA ILE B 86 -5.987 48.331 11.118 1.00 23.27 C ATOM 1697 C ILE B 86 -5.778 49.808 10.846 1.00 23.34 C ATOM 1698 O ILE B 86 -5.228 50.162 9.815 1.00 24.15 O ATOM 1699 CB ILE B 86 -4.631 47.579 11.091 1.00 23.32 C ATOM 1700 CG1 ILE B 86 -4.839 46.038 11.067 1.00 22.94 C ATOM 1701 CG2 ILE B 86 -3.689 48.086 12.186 1.00 21.57 C ATOM 1702 CD1 ILE B 86 -5.449 45.419 12.308 1.00 22.52 C ATOM 1703 H ILE B 86 -6.522 47.609 9.145 1.00 0.00 H ATOM 1704 N GLY B 87 -6.243 50.657 11.763 1.00 23.82 N ATOM 1705 CA GLY B 87 -6.221 52.109 11.594 1.00 22.45 C ATOM 1706 C GLY B 87 -5.022 52.731 12.284 1.00 23.60 C ATOM 1707 O GLY B 87 -4.208 52.035 12.909 1.00 23.29 O ATOM 1708 H GLY B 87 -6.641 50.267 12.641 1.00 0.00 H ATOM 1709 N ARG B 88 -4.905 54.047 12.181 1.00 23.96 N ATOM 1710 CA ARG B 88 -3.679 54.733 12.637 1.00 25.05 C ATOM 1711 C ARG B 88 -3.421 54.560 14.142 1.00 24.93 C ATOM 1712 O ARG B 88 -2.251 54.591 14.565 1.00 26.19 O ATOM 1713 CB ARG B 88 -3.674 56.218 12.242 1.00 23.32 C ATOM 1714 CG ARG B 88 -3.725 56.478 10.735 1.00 23.24 C ATOM 1715 CD ARG B 88 -3.791 57.982 10.417 1.00 23.07 C ATOM 1716 NE ARG B 88 -4.993 58.598 10.980 1.00 23.21 N ATOM 1717 CZ ARG B 88 -5.028 59.309 12.110 1.00 22.60 C ATOM 1718 NH1 ARG B 88 -6.179 59.799 12.536 1.00 20.84 N ATOM 1719 NH2 ARG B 88 -3.922 59.514 12.825 1.00 22.83 N ATOM 1720 HE ARG B 88 -5.886 58.473 10.462 1.00 0.00 H ATOM 1721 HH12 ARG B 88 -6.215 60.354 13.415 1.00 0.00 H ATOM 1722 HH11 ARG B 88 -7.049 59.630 11.992 1.00 0.00 H ATOM 1723 HH22 ARG B 88 -3.966 60.070 13.703 1.00 0.00 H ATOM 1724 HH21 ARG B 88 -3.015 59.118 12.505 1.00 0.00 H ATOM 1725 H ARG B 88 -5.685 54.603 11.775 1.00 0.00 H ATOM 1726 N ASN B 89 -4.485 54.360 14.930 1.00 22.68 N ATOM 1727 CA ASN B 89 -4.322 54.059 16.365 1.00 24.00 C ATOM 1728 C ASN B 89 -3.392 52.886 16.662 1.00 25.10 C ATOM 1729 O ASN B 89 -2.662 52.914 17.653 1.00 24.68 O ATOM 1730 CB ASN B 89 -5.667 53.903 17.107 1.00 24.42 C ATOM 1731 CG ASN B 89 -6.375 52.594 16.825 1.00 26.05 C ATOM 1732 OD1 ASN B 89 -6.684 52.250 15.679 1.00 28.55 O ATOM 1733 ND2 ASN B 89 -6.685 51.874 17.880 1.00 27.72 N ATOM 1734 HD22 ASN B 89 -6.408 52.196 18.829 1.00 0.00 H ATOM 1735 HD21 ASN B 89 -7.208 50.982 17.766 1.00 0.00 H ATOM 1736 H ASN B 89 -5.441 54.418 14.524 1.00 0.00 H ATOM 1737 N LEU B 90 -3.412 51.865 15.796 1.00 25.82 N ATOM 1738 CA LEU B 90 -2.527 50.712 15.949 1.00 25.37 C ATOM 1739 C LEU B 90 -1.327 50.805 15.031 1.00 26.70 C ATOM 1740 O LEU B 90 -0.245 50.334 15.388 1.00 29.04 O ATOM 1741 CB LEU B 90 -3.275 49.385 15.747 1.00 25.54 C ATOM 1742 CG LEU B 90 -4.375 49.049 16.763 1.00 25.82 C ATOM 1743 CD1 LEU B 90 -4.900 47.642 16.547 1.00 24.39 C ATOM 1744 CD2 LEU B 90 -3.892 49.226 18.205 1.00 27.77 C ATOM 1745 H LEU B 90 -4.074 51.893 14.994 1.00 0.00 H ATOM 1746 N LEU B 91 -1.491 51.437 13.871 1.00 25.56 N ATOM 1747 CA LEU B 91 -0.375 51.566 12.933 1.00 26.08 C ATOM 1748 C LEU B 91 0.789 52.377 13.539 1.00 27.00 C ATOM 1749 O LEU B 91 1.968 52.069 13.317 1.00 27.35 O ATOM 1750 CB LEU B 91 -0.838 52.142 11.597 1.00 24.53 C ATOM 1751 CG LEU B 91 -1.769 51.352 10.655 1.00 24.16 C ATOM 1752 CD1 LEU B 91 -2.141 52.219 9.451 1.00 23.59 C ATOM 1753 CD2 LEU B 91 -1.152 50.024 10.210 1.00 22.29 C ATOM 1754 H LEU B 91 -2.418 51.842 13.630 1.00 0.00 H ATOM 1755 N THR B 92 0.459 53.381 14.343 1.00 27.05 N ATOM 1756 CA THR B 92 1.492 54.177 15.012 1.00 29.24 C ATOM 1757 C THR B 92 2.342 53.356 15.973 1.00 31.62 C ATOM 1758 O THR B 92 3.531 53.644 16.134 1.00 31.33 O ATOM 1759 CB THR B 92 0.906 55.376 15.770 1.00 29.27 C ATOM 1760 OG1 THR B 92 -0.104 54.924 16.676 1.00 31.29 O ATOM 1761 CG2 THR B 92 0.292 56.376 14.791 1.00 28.72 C ATOM 1762 HG1 THR B 92 -0.823 54.472 16.168 1.00 0.00 H ATOM 1763 H THR B 92 -0.544 53.605 14.500 1.00 0.00 H ATOM 1764 N GLN B 93 1.736 52.330 16.587 1.00 32.17 N ATOM 1765 CA GLN B 93 2.428 51.463 17.557 1.00 32.34 C ATOM 1766 C GLN B 93 3.396 50.465 16.926 1.00 30.77 C ATOM 1767 O GLN B 93 4.280 49.949 17.608 1.00 30.41 O ATOM 1768 CB GLN B 93 1.440 50.741 18.487 1.00 33.38 C ATOM 1769 CG GLN B 93 0.602 51.674 19.368 1.00 35.28 C ATOM 1770 CD GLN B 93 -0.360 50.924 20.282 1.00 40.45 C ATOM 1771 OE1 GLN B 93 0.013 49.920 20.931 1.00 42.29 O ATOM 1772 NE2 GLN B 93 -1.602 51.422 20.373 1.00 38.62 N ATOM 1773 HE22 GLN B 93 -1.869 52.258 19.815 1.00 0.00 H ATOM 1774 HE21 GLN B 93 -2.298 50.972 21.001 1.00 0.00 H ATOM 1775 H GLN B 93 0.737 52.138 16.370 1.00 0.00 H ATOM 1776 N ILE B 94 3.240 50.191 15.634 1.00 29.55 N ATOM 1777 CA ILE B 94 4.205 49.330 14.923 1.00 27.87 C ATOM 1778 C ILE B 94 5.250 50.134 14.125 1.00 28.08 C ATOM 1779 O ILE B 94 5.953 49.582 13.275 1.00 28.99 O ATOM 1780 CB ILE B 94 3.514 48.245 14.049 1.00 28.48 C ATOM 1781 CG1 ILE B 94 2.673 48.838 12.899 1.00 27.06 C ATOM 1782 CG2 ILE B 94 2.665 47.330 14.922 1.00 28.98 C ATOM 1783 CD1 ILE B 94 2.150 47.792 11.916 1.00 27.89 C ATOM 1784 H ILE B 94 2.429 50.588 15.119 1.00 0.00 H ATOM 1785 N GLY B 95 5.330 51.439 14.403 1.00 28.31 N ATOM 1786 CA GLY B 95 6.231 52.360 13.695 1.00 28.50 C ATOM 1787 C GLY B 95 5.945 52.469 12.208 1.00 30.15 C ATOM 1788 O GLY B 95 6.863 52.634 11.404 1.00 33.21 O ATOM 1789 H GLY B 95 4.725 51.822 15.157 1.00 0.00 H ATOM 1790 N CYS B 96 4.673 52.366 11.830 1.00 30.64 N ATOM 1791 CA CYS B 96 4.313 52.362 10.410 1.00 30.82 C ATOM 1792 C CYS B 96 4.417 53.767 9.828 1.00 31.15 C ATOM 1793 O CYS B 96 3.885 54.720 10.424 1.00 31.31 O ATOM 1794 CB CYS B 96 2.898 51.810 10.216 1.00 30.42 C ATOM 1795 SG CYS B 96 2.377 51.664 8.494 1.00 35.29 S ATOM 1796 H CYS B 96 3.927 52.288 12.550 1.00 0.00 H ATOM 1797 N THR B 97 5.098 53.888 8.682 1.00 28.28 N ATOM 1798 CA THR B 97 5.181 55.144 7.937 1.00 28.56 C ATOM 1799 C THR B 97 4.818 54.946 6.469 1.00 29.63 C ATOM 1800 O THR B 97 4.953 53.840 5.919 1.00 30.79 O ATOM 1801 CB THR B 97 6.601 55.746 7.974 1.00 29.77 C ATOM 1802 OG1 THR B 97 7.541 54.801 7.442 1.00 30.25 O ATOM 1803 CG2 THR B 97 7.015 56.146 9.404 1.00 29.25 C ATOM 1804 HG1 THR B 97 7.520 53.974 7.986 1.00 0.00 H ATOM 1805 H THR B 97 5.589 53.053 8.305 1.00 0.00 H ATOM 1806 N LEU B 98 4.363 56.014 5.824 1.00 29.24 N ATOM 1807 CA LEU B 98 4.226 56.021 4.365 1.00 30.74 C ATOM 1808 C LEU B 98 5.508 56.609 3.791 1.00 31.41 C ATOM 1809 O LEU B 98 6.038 57.553 4.356 1.00 28.78 O ATOM 1810 CB LEU B 98 3.030 56.878 3.932 1.00 29.90 C ATOM 1811 CG LEU B 98 1.625 56.354 4.193 1.00 29.44 C ATOM 1812 CD1 LEU B 98 0.596 57.468 4.072 1.00 27.17 C ATOM 1813 CD2 LEU B 98 1.320 55.223 3.224 1.00 29.57 C ATOM 1814 H LEU B 98 4.099 56.862 6.365 1.00 0.00 H ATOM 1815 N ASN B 99 6.002 56.033 2.688 1.00 34.48 N ATOM 1816 CA ASN B 99 7.210 56.509 2.000 1.00 35.78 C ATOM 1817 C ASN B 99 6.952 56.699 0.512 1.00 36.85 C ATOM 1818 O ASN B 99 6.332 55.850 -0.112 1.00 36.32 O ATOM 1819 CB ASN B 99 8.347 55.499 2.149 1.00 38.29 C ATOM 1820 CG ASN B 99 9.082 55.619 3.474 1.00 42.81 C ATOM 1821 OD1 ASN B 99 8.501 55.435 4.539 1.00 45.21 O ATOM 1822 ND2 ASN B 99 10.384 55.901 3.407 1.00 45.80 N ATOM 1823 HD22 ASN B 99 10.837 56.050 2.483 1.00 0.00 H ATOM 1824 HD21 ASN B 99 10.946 55.972 4.279 1.00 0.00 H ATOM 1825 H ASN B 99 5.505 55.207 2.298 1.00 0.00 H ATOM 1826 N PHE B 100 7.439 57.802 -0.058 1.00 38.98 N ATOM 1827 CA PHE B 100 7.360 58.047 -1.503 1.00 41.50 C ATOM 1828 C PHE B 100 8.264 59.201 -1.946 1.00 45.66 C ATOM 1829 O PHE B 100 8.655 60.034 -1.127 1.00 45.85 O ATOM 1830 CB PHE B 100 5.915 58.323 -1.920 1.00 42.15 C ATOM 1831 CG PHE B 100 5.303 59.491 -1.221 1.00 42.26 C ATOM 1832 CD1 PHE B 100 4.675 59.331 0.001 1.00 41.89 C ATOM 1833 CD2 PHE B 100 5.373 60.767 -1.783 1.00 44.05 C ATOM 1834 CE1 PHE B 100 4.127 60.421 0.657 1.00 43.17 C ATOM 1835 CE2 PHE B 100 4.815 61.857 -1.139 1.00 43.20 C ATOM 1836 CZ PHE B 100 4.192 61.684 0.082 1.00 44.49 C ATOM 1837 OXT PHE B 100 8.628 59.348 -3.126 1.00 54.19 O ATOM 1838 H PHE B 100 7.893 58.517 0.546 1.00 0.00 H TER 1839 PHE B 100 HETATM 1840 O HOH 1 -2.804 68.976 -12.498 1.00 43.45 O HETATM 1841 O HOH 2 -7.316 56.002 -16.204 1.00 28.47 O HETATM 1842 O HOH 3 -5.996 54.341 -12.473 1.00 25.02 O HETATM 1843 O HOH 4 -22.146 56.710 -19.791 1.00 39.23 O HETATM 1844 O HOH 5 -3.921 58.584 -20.515 1.00 40.04 O HETATM 1845 O HOH 6 -10.346 55.755 -9.054 1.00 33.80 O HETATM 1846 O HOH 7 9.920 46.328 11.728 1.00 31.58 O HETATM 1847 O HOH 8 -1.002 66.091 6.650 1.00 35.95 O HETATM 1848 O HOH 9 -15.473 53.645 4.108 1.00 20.40 O HETATM 1849 O HOH 10 10.469 63.417 5.719 1.00 38.77 O HETATM 1850 O HOH 11 -18.631 65.325 -0.626 1.00 35.01 O HETATM 1851 O HOH 12 0.437 61.653 8.512 1.00 30.49 O HETATM 1852 O HOH 13 -25.553 52.552 1.667 1.00 41.64 O HETATM 1853 O HOH 14 -6.314 48.520 -0.484 1.00 24.73 O HETATM 1854 O HOH 15 3.470 51.019 -4.275 1.00 31.79 O HETATM 1855 O HOH 16 5.295 63.256 10.051 1.00 35.81 O HETATM 1856 O HOH 17 -22.484 68.082 -13.657 1.00 45.77 O HETATM 1857 O HOH 18 -20.979 47.755 3.269 1.00 45.43 O HETATM 1858 O HOH 19 -10.371 59.783 -21.935 1.00 42.18 O HETATM 1859 O HOH 20 -11.768 61.962 -18.612 1.00 43.48 O HETATM 1860 O HOH 21 -25.145 57.354 -3.468 1.00 43.20 O HETATM 1861 O HOH 22 1.355 64.300 4.875 1.00 40.61 O HETATM 1862 O HOH 23 12.488 53.600 4.601 1.00 50.24 O HETATM 1863 O HOH 24 7.142 65.101 -8.518 1.00 53.22 O HETATM 1864 O HOH 25 -10.881 47.311 -7.235 1.00 41.91 O HETATM 1865 O HOH 26 -8.910 47.871 -0.206 1.00 28.08 O HETATM 1866 O HOH 27 -9.247 70.247 0.393 1.00 26.47 O HETATM 1867 O HOH 28 -4.845 64.302 12.003 1.00 33.73 O HETATM 1868 O HOH 29 1.371 69.544 11.295 1.00 42.91 O HETATM 1869 O HOH 30 9.124 54.390 -1.092 1.00 41.02 O HETATM 1870 O HOH 31 -1.180 68.775 2.939 1.00 34.69 O HETATM 1871 O HOH 32 9.568 50.693 12.033 1.00 51.69 O HETATM 1872 O HOH 33 5.509 60.246 -9.842 1.00 51.04 O HETATM 1873 O HOH 34 -8.977 75.870 -5.962 1.00 39.72 O HETATM 1874 O HOH 35 -19.561 66.190 -9.545 1.00 54.75 O HETATM 1875 O HOH 36 -10.954 66.260 2.000 1.00 43.36 O HETATM 1876 O HOH 37 5.947 56.338 14.141 1.00 51.36 O HETATM 1877 O HOH 38 -16.153 49.378 -4.244 1.00 37.26 O HETATM 1878 O HOH 39 0.870 68.884 -5.779 1.00 49.86 O HETATM 1879 O HOH 40 -11.506 74.825 -6.150 1.00 45.53 O HETATM 1880 O HOH 41 -10.879 49.764 -1.206 1.00 34.86 O HETATM 1881 O HOH 42 -15.529 63.652 -23.088 1.00 49.30 O HETATM 1882 O HOH 43 -18.238 65.858 -16.789 1.00 37.49 O HETATM 1883 O HOH 44 -6.824 65.760 -16.538 1.00 29.34 O HETATM 1884 O HOH 45 -10.930 57.668 9.676 1.00 31.04 O HETATM 1885 O HOH 46 9.164 51.121 -4.341 1.00 35.74 O HETATM 1886 O HOH 47 -6.055 53.060 20.612 1.00 24.62 O HETATM 1887 O HOH 48 -7.400 51.395 24.478 1.00 36.38 O HETATM 1888 O HOH 49 8.956 52.870 9.056 1.00 35.01 O HETATM 1889 O HOH 50 -22.575 49.655 27.165 1.00 33.29 O HETATM 1890 O HOH 51 5.098 44.338 -1.899 1.00 37.23 O HETATM 1891 O HOH 52 -25.654 54.859 6.579 1.00 39.51 O HETATM 1892 O HOH 53 -24.124 49.815 18.550 1.00 46.19 O HETATM 1893 O HOH 54 10.972 43.892 2.735 1.00 36.88 O HETATM 1894 O HOH 55 -18.627 41.935 8.669 1.00 34.70 O HETATM 1895 O HOH 56 -24.906 49.802 11.577 1.00 36.86 O HETATM 1896 O HOH 57 -5.081 42.810 -3.760 1.00 30.71 O HETATM 1897 O HOH 58 -10.158 51.661 17.059 1.00 33.70 O HETATM 1898 O HOH 59 -4.035 48.727 28.479 1.00 42.64 O HETATM 1899 O HOH 60 -16.755 40.386 4.993 1.00 55.62 O HETATM 1900 O HOH 61 0.340 45.629 -0.265 1.00 27.97 O HETATM 1901 O HOH 62 -6.330 58.727 8.651 1.00 24.01 O HETATM 1902 O HOH 63 3.294 56.257 12.494 1.00 36.85 O HETATM 1903 O HOH 64 -11.212 61.051 8.037 1.00 35.22 O HETATM 1904 O HOH 65 -22.751 39.075 21.948 1.00 48.41 O HETATM 1905 O HOH 66 -9.074 59.580 8.256 1.00 28.45 O HETATM 1906 O HOH 67 -18.298 41.412 24.780 1.00 40.79 O HETATM 1907 O HOH 68 5.697 51.017 -6.223 1.00 41.52 O HETATM 1908 O HOH 69 0.582 38.146 13.917 1.00 46.83 O HETATM 1909 O HOH 70 -1.270 40.983 1.442 1.00 33.22 O HETATM 1910 O HOH 71 -11.586 45.276 26.957 1.00 38.21 O HETATM 1911 O HOH 72 7.320 41.151 16.250 1.00 62.00 O HETATM 1912 O HOH 73 -12.287 58.803 14.170 1.00 43.79 O HETATM 1913 O HOH 74 -12.139 37.446 9.625 1.00 45.26 O HETATM 1914 O HOH 75 -3.278 43.433 -7.611 1.00 41.60 O HETATM 1915 O HOH 76 -9.990 47.149 30.438 1.00 45.17 O HETATM 1916 O HOH 77 -19.459 41.045 17.960 1.00 50.29 O HETATM 1917 O HOH 78 -6.735 41.231 24.653 1.00 30.84 O HETATM 1918 O HOH 79 -3.142 38.442 20.691 1.00 36.45 O HETATM 1919 N KGQ A 80 -11.713 52.548 2.153 1.00 -0.26 N HETATM 1920 C6 KGQ A 80 -11.898 52.667 3.596 1.00 0.08 C HETATM 1921 C8 KGQ A 80 -11.578 51.302 4.225 1.00 0.00 C HETATM 1922 C9 KGQ A 80 -12.392 50.171 3.578 1.00 -0.05 C HETATM 1923 C11 KGQ A 80 -13.775 50.159 3.667 1.00 -0.07 C HETATM 1924 C13 KGQ A 80 -14.498 49.122 3.076 1.00 -0.04 C HETATM 1925 C14 KGQ A 80 -13.853 48.092 2.401 1.00 0.09 C HETATM 1926 O KGQ A 80 -14.573 47.095 1.815 1.00 -0.30 O HETATM 1927 C15 KGQ A 80 -15.490 47.675 0.855 1.00 0.19 C HETATM 1928 P KGQ A 80 -16.372 46.448 -0.211 1.00 0.30 P HETATM 1929 O3 KGQ A 80 -17.958 46.805 -0.249 1.00 -0.23 O HETATM 1930 C18 KGQ A 80 -18.874 46.272 0.679 1.00 0.09 C HETATM 1931 C19 KGQ A 80 -20.122 47.154 0.689 1.00 -0.04 C HETATM 1932 H KGQ A 80 -20.849 46.752 1.409 1.00 0.03 H HETATM 1933 H KGQ A 80 -20.570 47.167 -0.316 1.00 0.03 H HETATM 1934 H KGQ A 80 -19.845 48.178 0.980 1.00 0.03 H HETATM 1935 H KGQ A 80 -18.421 46.258 1.681 1.00 0.06 H HETATM 1936 H KGQ A 80 -19.146 45.247 0.385 1.00 0.06 H HETATM 1937 O2 KGQ A 80 -15.851 46.633 -1.754 1.00 -0.53 O HETATM 1938 O1 KGQ A 80 -16.011 44.961 0.242 1.00 -0.23 O HETATM 1939 C16 KGQ A 80 -14.742 44.431 -0.165 1.00 0.09 C HETATM 1940 C17 KGQ A 80 -14.630 42.950 0.198 1.00 -0.04 C HETATM 1941 H KGQ A 80 -13.650 42.567 -0.123 1.00 0.03 H HETATM 1942 H KGQ A 80 -15.428 42.387 -0.308 1.00 0.03 H HETATM 1943 H KGQ A 80 -14.731 42.831 1.287 1.00 0.03 H HETATM 1944 H KGQ A 80 -13.940 44.988 0.341 1.00 0.06 H HETATM 1945 H KGQ A 80 -14.636 44.544 -1.254 1.00 0.06 H HETATM 1946 H KGQ A 80 -14.919 48.350 0.200 1.00 0.09 H HETATM 1947 H KGQ A 80 -16.245 48.253 1.408 1.00 0.09 H HETATM 1948 C12 KGQ A 80 -12.466 48.104 2.323 1.00 -0.04 C HETATM 1949 C10 KGQ A 80 -11.745 49.137 2.908 1.00 -0.07 C HETATM 1950 H KGQ A 80 -10.663 49.138 2.842 1.00 0.05 H HETATM 1951 H KGQ A 80 -11.946 47.306 1.805 1.00 0.05 H HETATM 1952 H KGQ A 80 -15.580 49.120 3.144 1.00 0.05 H HETATM 1953 H KGQ A 80 -14.293 50.952 4.194 1.00 0.05 H HETATM 1954 H KGQ A 80 -11.813 51.341 5.299 1.00 0.04 H HETATM 1955 H KGQ A 80 -10.507 51.091 4.092 1.00 0.04 H HETATM 1956 C7 KGQ A 80 -10.973 53.783 4.093 1.00 0.10 C HETATM 1957 O8 KGQ A 80 -9.622 53.368 3.899 1.00 -0.39 O HETATM 1958 H KGQ A 80 -9.463 52.571 4.390 1.00 0.21 H HETATM 1959 C20 KGQ A 80 -11.164 54.104 5.571 1.00 0.06 C HETATM 1960 N1 KGQ A 80 -12.333 54.966 5.825 1.00 -0.23 N HETATM 1961 C21 KGQ A 80 -12.979 55.403 4.581 1.00 0.03 C HETATM 1962 C22 KGQ A 80 -12.638 56.856 4.302 1.00 -0.03 C HETATM 1963 C30 KGQ A 80 -13.268 57.788 5.323 1.00 -0.06 C HETATM 1964 H KGQ A 80 -12.998 58.828 5.086 1.00 0.02 H HETATM 1965 H KGQ A 80 -12.900 57.533 6.328 1.00 0.02 H HETATM 1966 H KGQ A 80 -14.362 57.678 5.294 1.00 0.02 H HETATM 1967 C29 KGQ A 80 -11.131 57.023 4.320 1.00 -0.06 C HETATM 1968 H KGQ A 80 -10.678 56.347 3.580 1.00 0.02 H HETATM 1969 H KGQ A 80 -10.747 56.780 5.322 1.00 0.02 H HETATM 1970 H KGQ A 80 -10.874 58.063 4.072 1.00 0.02 H HETATM 1971 H KGQ A 80 -13.018 57.122 3.304 1.00 0.03 H HETATM 1972 H KGQ A 80 -14.069 55.297 4.680 1.00 0.05 H HETATM 1973 H KGQ A 80 -12.624 54.779 3.748 1.00 0.05 H HETATM 1974 S KGQ A 80 -13.403 54.119 6.710 1.00 0.07 S HETATM 1975 O10 KGQ A 80 -13.239 52.651 6.436 1.00 -0.15 O HETATM 1976 O9 KGQ A 80 -14.802 54.548 6.350 1.00 -0.15 O HETATM 1977 C23 KGQ A 80 -13.110 54.466 8.418 1.00 0.10 C HETATM 1978 C28 KGQ A 80 -13.692 55.588 9.009 1.00 -0.04 C HETATM 1979 C27 KGQ A 80 -13.457 55.888 10.346 1.00 -0.03 C HETATM 1980 C26 KGQ A 80 -12.631 55.058 11.098 1.00 0.09 C HETATM 1981 O5 KGQ A 80 -12.392 55.332 12.405 1.00 -0.32 O HETATM 1982 C31 KGQ A 80 -13.480 56.031 13.012 1.00 0.06 C HETATM 1983 H KGQ A 80 -13.244 56.232 14.067 1.00 0.06 H HETATM 1984 H KGQ A 80 -14.390 55.417 12.950 1.00 0.06 H HETATM 1985 H KGQ A 80 -13.644 56.983 12.486 1.00 0.06 H HETATM 1986 C25 KGQ A 80 -12.045 53.940 10.514 1.00 -0.03 C HETATM 1987 C24 KGQ A 80 -12.285 53.643 9.178 1.00 -0.04 C HETATM 1988 H KGQ A 80 -11.829 52.769 8.727 1.00 0.06 H HETATM 1989 H KGQ A 80 -11.399 53.299 11.103 1.00 0.05 H HETATM 1990 H KGQ A 80 -13.913 56.761 10.799 1.00 0.05 H HETATM 1991 H KGQ A 80 -14.334 56.233 8.419 1.00 0.06 H HETATM 1992 H KGQ A 80 -10.263 54.618 5.938 1.00 0.05 H HETATM 1993 H KGQ A 80 -11.298 53.161 6.121 1.00 0.05 H HETATM 1994 H KGQ A 80 -11.170 54.692 3.506 1.00 0.06 H HETATM 1995 H KGQ A 80 -12.941 52.934 3.824 1.00 0.06 H HETATM 1996 C4 KGQ A 80 -12.653 52.853 1.267 1.00 0.32 C HETATM 1997 O7 KGQ A 80 -13.769 53.271 1.573 1.00 -0.38 O HETATM 1998 O6 KGQ A 80 -12.296 52.711 -0.036 1.00 -0.26 O HETATM 1999 C5 KGQ A 80 -13.347 52.740 -1.002 1.00 0.12 C HETATM 2000 C KGQ A 80 -13.642 51.328 -1.499 1.00 0.04 C HETATM 2001 C32 KGQ A 80 -12.592 51.077 -2.600 1.00 0.16 C HETATM 2002 O4 KGQ A 80 -11.902 52.346 -2.811 1.00 -0.35 O HETATM 2003 C3 KGQ A 80 -12.723 53.377 -2.213 1.00 0.08 C HETATM 2004 H KGQ A 80 -12.105 54.238 -1.919 1.00 0.06 H HETATM 2005 H KGQ A 80 -13.500 53.707 -2.918 1.00 0.06 H HETATM 2006 O11 KGQ A 80 -11.660 50.107 -2.038 1.00 -0.35 O HETATM 2007 C2 KGQ A 80 -12.454 49.276 -1.161 1.00 0.05 C HETATM 2008 C1 KGQ A 80 -13.335 50.278 -0.429 1.00 -0.02 C HETATM 2009 H KGQ A 80 -14.258 49.801 -0.069 1.00 0.03 H HETATM 2010 H KGQ A 80 -12.799 50.727 0.420 1.00 0.03 H HETATM 2011 H KGQ A 80 -11.815 48.725 -0.456 1.00 0.06 H HETATM 2012 H KGQ A 80 -13.063 48.564 -1.738 1.00 0.06 H HETATM 2013 H KGQ A 80 -13.047 50.708 -3.531 1.00 0.09 H HETATM 2014 H KGQ A 80 -14.675 51.239 -1.865 1.00 0.04 H HETATM 2015 H KGQ A 80 -14.243 53.260 -0.632 1.00 0.07 H HETATM 2016 H KGQ A 80 -10.832 52.219 1.814 1.00 0.19 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 926 927 932 933 934 CONECT 933 926 CONECT 934 926 CONECT 1919 1920 1996 2016 CONECT 1920 1919 1921 1956 1995 CONECT 1921 1920 1922 1954 1955 CONECT 1922 1921 1923 1949 CONECT 1923 1922 1924 1953 CONECT 1924 1923 1925 1952 CONECT 1925 1924 1926 1948 CONECT 1926 1925 1927 CONECT 1927 1926 1928 1946 1947 CONECT 1928 1927 1929 1937 1938 CONECT 1929 1928 1930 CONECT 1930 1929 1931 1935 1936 CONECT 1931 1930 1932 1933 1934 CONECT 1932 1931 CONECT 1933 1931 CONECT 1934 1931 CONECT 1935 1930 CONECT 1936 1930 CONECT 1937 1928 CONECT 1938 1928 1939 CONECT 1939 1938 1940 1944 1945 CONECT 1940 1939 1941 1942 1943 CONECT 1941 1940 CONECT 1942 1940 CONECT 1943 1940 CONECT 1944 1939 CONECT 1945 1939 CONECT 1946 1927 CONECT 1947 1927 CONECT 1948 1925 1949 1951 CONECT 1949 1922 1948 1950 CONECT 1950 1949 CONECT 1951 1948 CONECT 1952 1924 CONECT 1953 1923 CONECT 1954 1921 CONECT 1955 1921 CONECT 1956 1920 1957 1959 1994 CONECT 1957 1956 1958 CONECT 1958 1957 CONECT 1959 1956 1960 1992 1993 CONECT 1960 1959 1961 1974 CONECT 1961 1960 1962 1972 1973 CONECT 1962 1961 1963 1967 1971 CONECT 1963 1962 1964 1965 1966 CONECT 1964 1963 CONECT 1965 1963 CONECT 1966 1963 CONECT 1967 1962 1968 1969 1970 CONECT 1968 1967 CONECT 1969 1967 CONECT 1970 1967 CONECT 1971 1962 CONECT 1972 1961 CONECT 1973 1961 CONECT 1974 1960 1975 1976 1977 CONECT 1975 1974 CONECT 1976 1974 CONECT 1977 1974 1978 1987 CONECT 1978 1977 1979 1991 CONECT 1979 1978 1980 1990 CONECT 1980 1979 1981 1986 CONECT 1981 1980 1982 CONECT 1982 1981 1983 1984 1985 CONECT 1983 1982 CONECT 1984 1982 CONECT 1985 1982 CONECT 1986 1980 1987 1989 CONECT 1987 1977 1986 1988 CONECT 1988 1987 CONECT 1989 1986 CONECT 1990 1979 CONECT 1991 1978 CONECT 1992 1959 CONECT 1993 1959 CONECT 1994 1956 CONECT 1995 1920 CONECT 1996 1919 1997 1998 CONECT 1997 1996 CONECT 1998 1996 1999 CONECT 1999 1998 2000 2003 2015 CONECT 2000 1999 2001 2008 2014 CONECT 2001 2000 2002 2006 2013 CONECT 2002 2001 2003 CONECT 2003 1999 2002 2004 2005 CONECT 2004 2003 CONECT 2005 2003 CONECT 2006 2001 2007 CONECT 2007 2006 2008 2011 2012 CONECT 2008 2000 2007 2009 2010 CONECT 2009 2008 CONECT 2010 2008 CONECT 2011 2007 CONECT 2012 2007 CONECT 2013 2001 CONECT 2014 2000 CONECT 2015 1999 CONECT 2016 1919 MASTER 0 0 0 0 0 0 0 0 2014 2 104 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4m8y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2rkf
RCSB PDB
PDBbind
99aa, >2RKF_1|Chains... at 100%
2rkg
RCSB PDB
PDBbind
100aa, >2RKG_1|Chains... *
4m8x
RCSB PDB
PDBbind
99aa, >4M8X_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2i4w
RCSB PDB
PDBbind
KGQ
2i4x
RCSB PDB
PDBbind
KGQ
4m8x
RCSB PDB
PDBbind
KGQ
Entry Information
PDB ID
4m8y
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
HIV-1 Protease, PR1 E35EE (VPR1)
Ligand Name
KGQ
EC.Number
E.C.3.4.23.16
Resolution
2.22(Å)
Affinity (Kd/Ki/IC50)
Ki=0.11nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Virol. Vol. 88: pp. 3586-3590
Ligand Properties
Formula
C
3
3
H
4
9
N
2
O
1
2
PS
Molecular Weight
728.787
Exact Mass
728.274
No. of atoms
98
No. of bonds
101
Polar Surface Area
186.58
LOGP Value
3.64 (
Computed with XLOGP3
)
5.88 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 4
Canonical SMILES
CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](CN(S(=O)(=O)c1ccc(cc1)OC)CC(C)C)O)NC(=O)O[C@H]1CO[C@@H]2[C@H]1CCO2)OCC
InChI String
InChI=1S/C33H49N2O12PS/c1-6-45-48(38,46-7-2)22-44-26-10-8-24(9-11-26)18-29(34-33(37)47-31-21-43-32-28(31)16-17-42-32)30(36)20-35(19-23(3)4)49(39,40)27-14-12-25(41-5)13-15-27/h8-15,23,28-32,36H,6-7,16-22H2,1-5H3,(H,34,37)/t28-,29-,30+,31-,32+/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):
Q90JJ9
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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