Browse entries in the PDBbind-CN Database
HEADER 6CB5_COMPLEX COMPND 6CB5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 PRO MET PHE ILE VAL ASN THR ASN VAL PRO ARG ALA SER SEQRES 2 A 114 VAL PRO ASP GLY PHE LEU SER GLU LEU THR GLN GLN LEU SEQRES 3 A 114 ALA GLN ALA THR GLY LYS PRO PRO GLN TYR ILE ALA VAL SEQRES 4 A 114 HIS VAL VAL PRO ASP GLN LEU MET ALA PHE GLY GLY SER SEQRES 5 A 114 SER GLU PRO CYS ALA LEU CYS SER LEU HIS SER ILE GLY SEQRES 6 A 114 LYS ILE GLY GLY ALA GLN ASN ARG SER TYR SER LYS LEU SEQRES 7 A 114 LEU CYS GLY LEU LEU ALA GLU ARG LEU ARG ILE SER PRO SEQRES 8 A 114 ASP ARG VAL TYR ILE ASN TYR TYR ASP MET ASN ALA ALA SEQRES 9 A 114 ASN VAL GLY TRP ASN ASN SER THR PHE ALA SEQRES 1 B 114 PRO MET PHE ILE VAL ASN THR ASN VAL PRO ARG ALA SER SEQRES 2 B 114 VAL PRO ASP GLY PHE LEU SER GLU LEU THR GLN GLN LEU SEQRES 3 B 114 ALA GLN ALA THR GLY LYS PRO PRO GLN TYR ILE ALA VAL SEQRES 4 B 114 HIS VAL VAL PRO ASP GLN LEU MET ALA PHE GLY GLY SER SEQRES 5 B 114 SER GLU PRO CYS ALA LEU CYS SER LEU HIS SER ILE GLY SEQRES 6 B 114 LYS ILE GLY GLY ALA GLN ASN ARG SER TYR SER LYS LEU SEQRES 7 B 114 LEU CYS GLY LEU LEU ALA GLU ARG LEU ARG ILE SER PRO SEQRES 8 B 114 ASP ARG VAL TYR ILE ASN TYR TYR ASP MET ASN ALA ALA SEQRES 9 B 114 ASN VAL GLY TRP ASN ASN SER THR PHE ALA SEQRES 1 C 114 PRO MET PHE ILE VAL ASN THR ASN VAL PRO ARG ALA SER SEQRES 2 C 114 VAL PRO ASP GLY PHE LEU SER GLU LEU THR GLN GLN LEU SEQRES 3 C 114 ALA GLN ALA THR GLY LYS PRO PRO GLN TYR ILE ALA VAL SEQRES 4 C 114 HIS VAL VAL PRO ASP GLN LEU MET ALA PHE GLY GLY SER SEQRES 5 C 114 SER GLU PRO CYS ALA LEU CYS SER LEU HIS SER ILE GLY SEQRES 6 C 114 LYS ILE GLY GLY ALA GLN ASN ARG SER TYR SER LYS LEU SEQRES 7 C 114 LEU CYS GLY LEU LEU ALA GLU ARG LEU ARG ILE SER PRO SEQRES 8 C 114 ASP ARG VAL TYR ILE ASN TYR TYR ASP MET ASN ALA ALA SEQRES 9 C 114 ASN VAL GLY TRP ASN ASN SER THR PHE ALA HET EV A 7 38 ATOM 1 N PRO A 1 105.853 14.192 10.897 1.00 30.14 N ATOM 2 CA PRO A 1 104.774 13.248 11.199 1.00 26.79 C ATOM 3 C PRO A 1 103.569 13.884 11.845 1.00 19.11 C ATOM 4 O PRO A 1 103.593 15.020 12.303 1.00 20.70 O ATOM 5 CB PRO A 1 105.419 12.293 12.193 1.00 30.22 C ATOM 6 CG PRO A 1 106.351 13.166 12.928 1.00 34.43 C ATOM 7 CD PRO A 1 106.962 13.999 11.847 1.00 28.64 C ATOM 8 HN2 PRO A 1 105.494 15.165 10.977 1.00 0.00 H ATOM 9 HN1 PRO A 1 106.195 14.029 9.928 1.00 0.00 H ATOM 10 N MET A 2 102.523 13.087 11.896 1.00 15.76 N ATOM 11 CA MET A 2 101.242 13.459 12.460 1.00 16.74 C ATOM 12 C MET A 2 100.909 12.507 13.597 1.00 16.26 C ATOM 13 O MET A 2 100.974 11.288 13.427 1.00 16.06 O ATOM 14 CB MET A 2 100.196 13.380 11.366 1.00 19.76 C ATOM 15 CG MET A 2 98.776 13.535 11.803 1.00 23.50 C ATOM 16 SD MET A 2 97.641 13.417 10.379 1.00 21.78 S ATOM 17 CE MET A 2 97.620 11.644 10.087 1.00 29.85 C ATOM 18 H MET A 2 102.623 12.128 11.506 1.00 0.00 H ATOM 19 N PHE A 3 100.515 13.062 14.735 1.00 12.86 N ATOM 20 CA PHE A 3 100.210 12.287 15.930 1.00 11.03 C ATOM 21 C PHE A 3 98.814 12.652 16.413 1.00 15.82 C ATOM 22 O PHE A 3 98.527 13.833 16.659 1.00 13.93 O ATOM 23 CB PHE A 3 101.231 12.536 17.039 1.00 11.58 C ATOM 24 CG PHE A 3 100.940 11.784 18.298 1.00 14.68 C ATOM 25 CD1 PHE A 3 100.949 10.408 18.321 1.00 14.52 C ATOM 26 CD2 PHE A 3 100.688 12.453 19.470 1.00 21.92 C ATOM 27 CE1 PHE A 3 100.680 9.715 19.476 1.00 14.68 C ATOM 28 CE2 PHE A 3 100.410 11.755 20.641 1.00 23.71 C ATOM 29 CZ PHE A 3 100.430 10.386 20.640 1.00 19.94 C ATOM 30 H PHE A 3 100.419 14.097 14.776 1.00 0.00 H ATOM 31 N ILE A 4 97.962 11.637 16.556 1.00 12.47 N ATOM 32 CA ILE A 4 96.576 11.791 17.004 1.00 12.25 C ATOM 33 C ILE A 4 96.359 10.964 18.264 1.00 12.69 C ATOM 34 O ILE A 4 96.701 9.775 18.294 1.00 15.11 O ATOM 35 CB ILE A 4 95.586 11.355 15.921 1.00 14.86 C ATOM 36 CG1 ILE A 4 95.850 12.147 14.625 1.00 18.29 C ATOM 37 CG2 ILE A 4 94.132 11.585 16.386 1.00 16.19 C ATOM 38 CD1 ILE A 4 95.259 11.458 13.450 1.00 22.74 C ATOM 39 H ILE A 4 98.301 10.679 16.336 1.00 0.00 H ATOM 40 N VAL A 5 95.749 11.593 19.268 1.00 13.32 N ATOM 41 CA VAL A 5 95.356 10.963 20.526 1.00 13.87 C ATOM 42 C VAL A 5 93.845 11.065 20.662 1.00 15.08 C ATOM 43 O VAL A 5 93.289 12.164 20.565 1.00 14.39 O ATOM 44 CB VAL A 5 96.023 11.651 21.731 1.00 15.56 C ATOM 45 CG1 VAL A 5 95.658 10.943 23.035 1.00 16.39 C ATOM 46 CG2 VAL A 5 97.514 11.730 21.531 1.00 16.88 C ATOM 47 H VAL A 5 95.538 12.604 19.147 1.00 0.00 H ATOM 48 N ASN A 6 93.186 9.934 20.890 1.00 12.90 N ATOM 49 CA ASN A 6 91.791 9.914 21.336 1.00 13.86 C ATOM 50 C ASN A 6 91.783 9.322 22.750 1.00 14.86 C ATOM 51 O ASN A 6 92.400 8.284 22.990 1.00 14.79 O ATOM 52 CB ASN A 6 90.899 9.078 20.403 1.00 13.75 C ATOM 53 CG ASN A 6 90.396 9.872 19.184 1.00 17.52 C ATOM 54 OD1 ASN A 6 89.328 10.481 19.224 1.00 36.21 O ATOM 55 ND2 ASN A 6 91.137 9.834 18.130 1.00 24.52 N ATOM 56 HD22 ASN A 6 92.033 9.306 18.143 1.00 0.00 H ATOM 57 HD21 ASN A 6 90.839 10.332 17.267 1.00 0.00 H ATOM 58 H ASN A 6 93.679 9.030 20.746 1.00 0.00 H ATOM 59 N THR A 7 91.098 9.975 23.678 1.00 15.05 N ATOM 60 CA THR A 7 91.127 9.544 25.069 1.00 14.09 C ATOM 61 C THR A 7 89.821 9.894 25.764 1.00 14.54 C ATOM 62 O THR A 7 89.135 10.856 25.392 1.00 14.76 O ATOM 63 CB THR A 7 92.314 10.180 25.822 1.00 14.23 C ATOM 64 OG1 THR A 7 92.303 9.750 27.186 1.00 18.00 O ATOM 65 CG2 THR A 7 92.295 11.706 25.778 1.00 12.17 C ATOM 66 HG1 THR A 7 92.381 8.764 27.221 1.00 0.00 H ATOM 67 H THR A 7 90.533 10.806 23.410 1.00 0.00 H ATOM 68 N ASN A 8 89.479 9.078 26.776 1.00 17.31 N ATOM 69 CA ASN A 8 88.351 9.350 27.660 1.00 15.63 C ATOM 70 C ASN A 8 88.694 10.317 28.779 1.00 18.73 C ATOM 71 O ASN A 8 87.793 10.698 29.531 1.00 20.18 O ATOM 72 CB ASN A 8 87.800 8.056 28.284 1.00 14.27 C ATOM 73 CG ASN A 8 88.851 7.214 28.976 1.00 14.70 C ATOM 74 OD1 ASN A 8 90.050 7.480 28.920 1.00 15.08 O ATOM 75 ND2 ASN A 8 88.383 6.150 29.652 1.00 20.00 N ATOM 76 HD22 ASN A 8 87.361 5.958 29.676 1.00 0.00 H ATOM 77 HD21 ASN A 8 89.043 5.519 30.151 1.00 0.00 H ATOM 78 H ASN A 8 90.041 8.218 26.935 1.00 0.00 H ATOM 79 N VAL A 9 89.956 10.707 28.915 1.00 15.34 N ATOM 80 CA VAL A 9 90.304 11.750 29.884 1.00 17.24 C ATOM 81 C VAL A 9 89.531 13.023 29.536 1.00 21.41 C ATOM 82 O VAL A 9 89.419 13.374 28.344 1.00 16.79 O ATOM 83 CB VAL A 9 91.818 12.011 29.882 1.00 19.78 C ATOM 84 CG1 VAL A 9 92.148 13.245 30.719 1.00 23.40 C ATOM 85 CG2 VAL A 9 92.550 10.772 30.407 1.00 27.19 C ATOM 86 H VAL A 9 90.699 10.271 28.332 1.00 0.00 H ATOM 87 N PRO A 10 88.965 13.749 30.496 1.00 19.38 N ATOM 88 CA PRO A 10 88.201 14.952 30.142 1.00 20.28 C ATOM 89 C PRO A 10 89.086 16.130 29.747 1.00 17.64 C ATOM 90 O PRO A 10 90.257 16.244 30.127 1.00 19.32 O ATOM 91 CB PRO A 10 87.401 15.266 31.415 1.00 23.68 C ATOM 92 CG PRO A 10 88.105 14.558 32.505 1.00 29.65 C ATOM 93 CD PRO A 10 88.834 13.395 31.918 1.00 26.38 C ATOM 94 N ARG A 11 88.489 17.022 28.958 1.00 18.54 N ATOM 95 CA ARG A 11 89.222 18.180 28.443 1.00 16.96 C ATOM 96 C ARG A 11 89.928 18.939 29.553 1.00 23.76 C ATOM 97 O ARG A 11 91.080 19.358 29.398 1.00 19.83 O ATOM 98 CB ARG A 11 88.276 19.111 27.686 1.00 19.45 C ATOM 99 CG ARG A 11 88.999 20.243 26.950 1.00 27.54 C ATOM 100 H ARG A 11 87.489 16.894 28.704 1.00 0.00 H ATOM 101 N ALA A 12 89.255 19.123 30.689 1.00 26.80 N ATOM 102 CA ALA A 12 89.839 19.900 31.778 1.00 24.14 C ATOM 103 C ALA A 12 91.090 19.260 32.345 1.00 28.56 C ATOM 104 O ALA A 12 91.884 19.955 32.987 1.00 22.84 O ATOM 105 CB ALA A 12 88.802 20.102 32.879 1.00 30.73 C ATOM 106 H ALA A 12 88.307 18.710 30.800 1.00 0.00 H ATOM 107 N SER A 13 91.307 17.969 32.099 1.00 19.73 N ATOM 108 CA SER A 13 92.503 17.295 32.565 1.00 21.86 C ATOM 109 C SER A 13 93.602 17.265 31.519 1.00 21.00 C ATOM 110 O SER A 13 94.664 16.688 31.775 1.00 21.64 O ATOM 111 CB SER A 13 92.152 15.865 33.004 1.00 24.37 C ATOM 112 OG SER A 13 91.286 15.927 34.135 1.00 29.49 O ATOM 113 HG SER A 13 91.056 15.008 34.423 1.00 0.00 H ATOM 114 H SER A 13 90.600 17.431 31.559 1.00 0.00 H ATOM 115 N VAL A 14 93.373 17.859 30.352 1.00 18.40 N ATOM 116 CA VAL A 14 94.454 18.060 29.391 1.00 15.18 C ATOM 117 C VAL A 14 95.155 19.344 29.812 1.00 21.20 C ATOM 118 O VAL A 14 94.516 20.412 29.834 1.00 19.73 O ATOM 119 CB VAL A 14 93.942 18.130 27.949 1.00 19.62 C ATOM 120 CG1 VAL A 14 95.137 18.287 26.978 1.00 21.77 C ATOM 121 CG2 VAL A 14 93.127 16.865 27.634 1.00 18.83 C ATOM 122 H VAL A 14 92.413 18.184 30.121 1.00 0.00 H ATOM 123 N PRO A 15 96.427 19.294 30.174 1.00 17.88 N ATOM 124 CA PRO A 15 97.096 20.512 30.674 1.00 21.22 C ATOM 125 C PRO A 15 97.301 21.547 29.582 1.00 18.33 C ATOM 126 O PRO A 15 97.496 21.224 28.406 1.00 16.64 O ATOM 127 CB PRO A 15 98.443 20.001 31.195 1.00 22.74 C ATOM 128 CG PRO A 15 98.384 18.503 31.135 1.00 29.81 C ATOM 129 CD PRO A 15 97.325 18.122 30.170 1.00 18.91 C ATOM 130 N ASP A 16 97.245 22.817 29.985 1.00 17.73 N ATOM 131 CA ASP A 16 97.677 23.882 29.096 1.00 19.34 C ATOM 132 C ASP A 16 99.075 23.590 28.566 1.00 15.62 C ATOM 133 O ASP A 16 99.971 23.163 29.310 1.00 19.95 O ATOM 134 CB ASP A 16 97.692 25.229 29.824 1.00 18.10 C ATOM 135 CG ASP A 16 96.312 25.745 30.109 1.00 28.93 C ATOM 136 OD1 ASP A 16 95.336 25.201 29.559 1.00 19.55 O ATOM 137 OD2 ASP A 16 96.212 26.729 30.852 1.00 21.23 O ATOM 138 H ASP A 16 96.892 23.045 30.936 1.00 0.00 H ATOM 139 N GLY A 17 99.259 23.849 27.286 1.00 15.94 N ATOM 140 CA GLY A 17 100.531 23.650 26.638 1.00 20.32 C ATOM 141 C GLY A 17 100.759 22.256 26.091 1.00 15.72 C ATOM 142 O GLY A 17 101.837 22.000 25.535 1.00 16.40 O ATOM 143 H GLY A 17 98.460 24.209 26.726 1.00 0.00 H ATOM 144 N PHE A 18 99.780 21.351 26.209 1.00 16.03 N ATOM 145 CA PHE A 18 100.032 19.947 25.851 1.00 14.90 C ATOM 146 C PHE A 18 100.287 19.788 24.350 1.00 12.60 C ATOM 147 O PHE A 18 101.186 19.042 23.934 1.00 15.53 O ATOM 148 CB PHE A 18 98.845 19.086 26.297 1.00 14.99 C ATOM 149 CG PHE A 18 99.060 17.611 26.117 1.00 14.91 C ATOM 150 CD1 PHE A 18 100.146 16.977 26.721 1.00 18.26 C ATOM 151 CD2 PHE A 18 98.169 16.857 25.368 1.00 19.71 C ATOM 152 CE1 PHE A 18 100.336 15.609 26.569 1.00 18.90 C ATOM 153 CE2 PHE A 18 98.384 15.489 25.194 1.00 20.14 C ATOM 154 CZ PHE A 18 99.442 14.881 25.806 1.00 16.78 C ATOM 155 H PHE A 18 98.842 21.640 26.553 1.00 0.00 H ATOM 156 N LEU A 19 99.572 20.539 23.513 1.00 11.57 N ATOM 157 CA LEU A 19 99.843 20.409 22.084 1.00 14.07 C ATOM 158 C LEU A 19 101.245 20.899 21.735 1.00 18.35 C ATOM 159 O LEU A 19 101.902 20.337 20.849 1.00 11.18 O ATOM 160 CB LEU A 19 98.813 21.165 21.251 1.00 14.97 C ATOM 161 CG LEU A 19 97.366 20.683 21.244 1.00 22.64 C ATOM 162 CD1 LEU A 19 96.578 21.558 20.315 1.00 22.19 C ATOM 163 CD2 LEU A 19 97.260 19.219 20.834 1.00 21.99 C ATOM 164 H LEU A 19 98.846 21.195 23.865 1.00 0.00 H ATOM 165 N SER A 20 101.715 21.963 22.396 1.00 14.61 N ATOM 166 CA SER A 20 103.074 22.437 22.145 1.00 15.29 C ATOM 167 C SER A 20 104.119 21.447 22.636 1.00 15.76 C ATOM 168 O SER A 20 105.183 21.305 22.022 1.00 14.80 O ATOM 169 CB SER A 20 103.323 23.782 22.821 1.00 17.58 C ATOM 170 OG SER A 20 102.637 24.794 22.146 1.00 21.14 O ATOM 171 HG SER A 20 102.954 24.838 21.209 1.00 0.00 H ATOM 172 H SER A 20 101.113 22.453 23.088 1.00 0.00 H ATOM 173 N GLU A 21 103.866 20.801 23.768 1.00 14.40 N ATOM 174 CA GLU A 21 104.822 19.830 24.288 1.00 17.26 C ATOM 175 C GLU A 21 104.917 18.629 23.364 1.00 12.24 C ATOM 176 O GLU A 21 106.018 18.159 23.041 1.00 15.76 O ATOM 177 CB GLU A 21 104.412 19.379 25.699 1.00 16.95 C ATOM 178 CG GLU A 21 105.451 18.418 26.303 1.00 19.80 C ATOM 179 CD GLU A 21 105.216 18.086 27.762 1.00 28.94 C ATOM 180 OE1 GLU A 21 104.056 18.057 28.182 1.00 23.50 O ATOM 181 OE2 GLU A 21 106.208 17.835 28.480 1.00 29.17 O ATOM 182 H GLU A 21 102.983 20.988 24.285 1.00 0.00 H ATOM 183 N LEU A 22 103.772 18.147 22.895 1.00 14.03 N ATOM 184 CA LEU A 22 103.782 17.076 21.915 1.00 13.57 C ATOM 185 C LEU A 22 104.555 17.478 20.664 1.00 12.99 C ATOM 186 O LEU A 22 105.316 16.676 20.132 1.00 15.19 O ATOM 187 CB LEU A 22 102.349 16.700 21.545 1.00 14.08 C ATOM 188 CG LEU A 22 101.527 15.959 22.589 1.00 15.17 C ATOM 189 CD1 LEU A 22 100.129 15.787 22.068 1.00 17.49 C ATOM 190 CD2 LEU A 22 102.157 14.623 22.910 1.00 16.93 C ATOM 191 H LEU A 22 102.868 18.537 23.230 1.00 0.00 H ATOM 192 N THR A 23 104.322 18.685 20.145 1.00 13.84 N ATOM 193 CA THR A 23 105.047 19.138 18.948 1.00 17.31 C ATOM 194 C THR A 23 106.548 19.163 19.193 1.00 13.87 C ATOM 195 O THR A 23 107.333 18.638 18.385 1.00 13.24 O ATOM 196 CB THR A 23 104.557 20.532 18.497 1.00 11.30 C ATOM 197 OG1 THR A 23 103.144 20.505 18.227 1.00 15.80 O ATOM 198 CG2 THR A 23 105.282 21.000 17.218 1.00 14.08 C ATOM 199 HG1 THR A 23 102.657 20.242 19.048 1.00 0.00 H ATOM 200 H THR A 23 103.621 19.311 20.591 1.00 0.00 H ATOM 201 N GLN A 24 106.972 19.763 20.320 1.00 15.67 N ATOM 202 CA GLN A 24 108.394 19.853 20.633 1.00 15.62 C ATOM 203 C GLN A 24 109.017 18.482 20.774 1.00 17.13 C ATOM 204 O GLN A 24 110.104 18.212 20.233 1.00 19.80 O ATOM 205 CB GLN A 24 108.609 20.631 21.932 1.00 15.92 C ATOM 206 CG GLN A 24 108.395 22.119 21.853 1.00 29.38 C ATOM 207 CD GLN A 24 108.625 22.798 23.209 1.00 39.75 C ATOM 208 OE1 GLN A 24 108.777 22.133 24.242 1.00 41.51 O ATOM 209 NE2 GLN A 24 108.678 24.119 23.203 1.00 48.32 N ATOM 210 HE22 GLN A 24 108.545 24.641 22.313 1.00 0.00 H ATOM 211 HE21 GLN A 24 108.853 24.636 24.088 1.00 0.00 H ATOM 212 H GLN A 24 106.276 20.169 20.978 1.00 0.00 H ATOM 213 N GLN A 25 108.368 17.613 21.543 1.00 14.98 N ATOM 214 CA GLN A 25 108.938 16.301 21.826 1.00 14.56 C ATOM 215 C GLN A 25 108.999 15.407 20.588 1.00 17.89 C ATOM 216 O GLN A 25 109.956 14.635 20.418 1.00 17.33 O ATOM 217 CB GLN A 25 108.120 15.643 22.935 1.00 15.84 C ATOM 218 CG GLN A 25 108.373 16.325 24.266 1.00 20.26 C ATOM 219 CD GLN A 25 109.810 16.138 24.679 1.00 43.64 C ATOM 220 OE1 GLN A 25 110.297 15.012 24.742 1.00 37.51 O ATOM 221 NE2 GLN A 25 110.511 17.236 24.917 1.00 37.41 N ATOM 222 HE22 GLN A 25 110.055 18.168 24.851 1.00 0.00 H ATOM 223 HE21 GLN A 25 111.517 17.166 25.169 1.00 0.00 H ATOM 224 H GLN A 25 107.445 17.871 21.947 1.00 0.00 H ATOM 225 N LEU A 26 107.982 15.467 19.733 1.00 17.11 N ATOM 226 CA LEU A 26 108.021 14.708 18.489 1.00 18.56 C ATOM 227 C LEU A 26 109.080 15.236 17.533 1.00 16.90 C ATOM 228 O LEU A 26 109.766 14.449 16.862 1.00 18.03 O ATOM 229 CB LEU A 26 106.647 14.730 17.833 1.00 19.20 C ATOM 230 CG LEU A 26 105.646 13.797 18.486 1.00 20.21 C ATOM 231 CD1 LEU A 26 104.226 14.148 18.049 1.00 21.53 C ATOM 232 CD2 LEU A 26 105.986 12.337 18.157 1.00 19.18 C ATOM 233 H LEU A 26 107.155 16.058 19.953 1.00 0.00 H ATOM 234 N ALA A 27 109.206 16.564 17.420 1.00 16.51 N ATOM 235 CA ALA A 27 110.269 17.130 16.594 1.00 17.19 C ATOM 236 C ALA A 27 111.637 16.659 17.068 1.00 27.87 C ATOM 237 O ALA A 27 112.484 16.253 16.262 1.00 21.81 O ATOM 238 CB ALA A 27 110.189 18.660 16.622 1.00 23.28 C ATOM 239 H ALA A 27 108.546 17.193 17.921 1.00 0.00 H ATOM 240 N GLN A 28 111.865 16.685 18.387 1.00 19.96 N ATOM 241 CA GLN A 28 113.162 16.274 18.911 1.00 27.68 C ATOM 242 C GLN A 28 113.381 14.785 18.690 1.00 24.61 C ATOM 243 O GLN A 28 114.457 14.371 18.237 1.00 28.88 O ATOM 244 CB GLN A 28 113.278 16.639 20.396 1.00 31.66 C ATOM 245 CG GLN A 28 114.709 16.561 20.951 1.00 34.34 C ATOM 246 H GLN A 28 111.117 16.998 19.038 1.00 0.00 H ATOM 247 N ALA A 29 112.347 13.973 18.908 1.00 22.08 N ATOM 248 CA ALA A 29 112.512 12.531 18.820 1.00 28.03 C ATOM 249 C ALA A 29 112.709 12.080 17.381 1.00 33.16 C ATOM 250 O ALA A 29 113.495 11.166 17.120 1.00 25.75 O ATOM 251 CB ALA A 29 111.298 11.828 19.414 1.00 25.69 C ATOM 252 H ALA A 29 111.416 14.373 19.143 1.00 0.00 H ATOM 253 N THR A 30 111.985 12.683 16.438 1.00 26.97 N ATOM 254 CA THR A 30 112.115 12.302 15.033 1.00 24.58 C ATOM 255 C THR A 30 113.232 13.046 14.310 1.00 24.75 C ATOM 256 O THR A 30 113.570 12.680 13.181 1.00 34.72 O ATOM 257 CB THR A 30 110.798 12.519 14.260 1.00 26.25 C ATOM 258 OG1 THR A 30 110.482 13.925 14.195 1.00 25.27 O ATOM 259 CG2 THR A 30 109.667 11.752 14.884 1.00 29.69 C ATOM 260 HG1 THR A 30 110.382 14.282 15.113 1.00 0.00 H ATOM 261 H THR A 30 111.318 13.435 16.706 1.00 0.00 H ATOM 262 N GLY A 31 113.826 14.066 14.911 1.00 21.13 N ATOM 263 CA GLY A 31 114.869 14.778 14.205 1.00 26.91 C ATOM 264 C GLY A 31 114.315 15.565 13.042 1.00 29.94 C ATOM 265 O GLY A 31 114.922 15.589 11.968 1.00 24.95 O ATOM 266 H GLY A 31 113.548 14.350 15.872 1.00 0.00 H ATOM 267 N LYS A 32 113.173 16.212 13.233 1.00 22.17 N ATOM 268 CA LYS A 32 112.480 16.925 12.174 1.00 19.81 C ATOM 269 C LYS A 32 112.072 18.291 12.686 1.00 20.15 C ATOM 270 O LYS A 32 111.786 18.453 13.882 1.00 19.56 O ATOM 271 CB LYS A 32 111.241 16.154 11.721 1.00 16.72 C ATOM 272 CG LYS A 32 111.607 14.863 10.997 1.00 27.20 C ATOM 273 CD LYS A 32 110.400 14.061 10.650 1.00 25.42 C ATOM 274 CE LYS A 32 110.755 12.907 9.649 1.00 30.60 C ATOM 275 NZ LYS A 32 109.645 11.923 9.600 1.00 37.80 N ATOM 276 HZ1 LYS A 32 109.496 11.522 10.548 1.00 0.00 H ATOM 277 HZ2 LYS A 32 108.776 12.398 9.283 1.00 0.00 H ATOM 278 HZ3 LYS A 32 109.888 11.161 8.935 1.00 0.00 H ATOM 279 H LYS A 32 112.754 16.209 14.185 1.00 0.00 H ATOM 280 N PRO A 33 112.055 19.299 11.821 1.00 22.90 N ATOM 281 CA PRO A 33 111.642 20.620 12.273 1.00 17.48 C ATOM 282 C PRO A 33 110.194 20.610 12.716 1.00 18.83 C ATOM 283 O PRO A 33 109.352 19.897 12.143 1.00 14.14 O ATOM 284 CB PRO A 33 111.859 21.500 11.035 1.00 20.88 C ATOM 285 CG PRO A 33 112.873 20.749 10.229 1.00 20.47 C ATOM 286 CD PRO A 33 112.550 19.320 10.428 1.00 24.71 C ATOM 287 N PRO A 34 109.848 21.417 13.718 1.00 17.46 N ATOM 288 CA PRO A 34 108.451 21.445 14.188 1.00 17.53 C ATOM 289 C PRO A 34 107.456 21.841 13.122 1.00 14.84 C ATOM 290 O PRO A 34 106.272 21.511 13.266 1.00 13.04 O ATOM 291 CB PRO A 34 108.479 22.471 15.343 1.00 18.13 C ATOM 292 CG PRO A 34 109.752 23.139 15.276 1.00 20.01 C ATOM 293 CD PRO A 34 110.727 22.284 14.508 1.00 17.26 C ATOM 294 N GLN A 35 107.890 22.531 12.057 1.00 15.78 N ATOM 295 CA GLN A 35 106.983 22.966 10.997 1.00 15.96 C ATOM 296 C GLN A 35 106.313 21.781 10.308 1.00 16.36 C ATOM 297 O GLN A 35 105.214 21.920 9.750 1.00 20.03 O ATOM 298 CB GLN A 35 107.743 23.802 9.962 1.00 17.87 C ATOM 299 CG GLN A 35 108.310 25.145 10.496 1.00 25.29 C ATOM 300 CD GLN A 35 109.732 25.074 11.066 1.00 32.64 C ATOM 301 OE1 GLN A 35 110.129 24.089 11.694 1.00 24.55 O ATOM 302 NE2 GLN A 35 110.492 26.162 10.881 1.00 27.13 N ATOM 303 HE22 GLN A 35 110.119 26.972 10.345 1.00 0.00 H ATOM 304 HE21 GLN A 35 111.455 26.197 11.273 1.00 0.00 H ATOM 305 H GLN A 35 108.901 22.763 11.983 1.00 0.00 H ATOM 306 N TYR A 36 106.954 20.620 10.342 1.00 14.02 N ATOM 307 CA TYR A 36 106.442 19.398 9.738 1.00 16.93 C ATOM 308 C TYR A 36 105.530 18.597 10.661 1.00 25.67 C ATOM 309 O TYR A 36 105.015 17.562 10.238 1.00 29.78 O ATOM 310 CB TYR A 36 107.604 18.497 9.316 1.00 17.52 C ATOM 311 CG TYR A 36 108.354 19.016 8.102 1.00 16.52 C ATOM 312 CD1 TYR A 36 107.972 18.641 6.822 1.00 18.56 C ATOM 313 CD2 TYR A 36 109.417 19.867 8.254 1.00 17.36 C ATOM 314 CE1 TYR A 36 108.651 19.113 5.707 1.00 18.82 C ATOM 315 CE2 TYR A 36 110.115 20.344 7.165 1.00 19.44 C ATOM 316 CZ TYR A 36 109.721 19.957 5.887 1.00 16.12 C ATOM 317 OH TYR A 36 110.370 20.423 4.805 1.00 19.61 O ATOM 318 HH TYR A 36 109.958 20.046 3.987 1.00 0.00 H ATOM 319 H TYR A 36 107.873 20.580 10.827 1.00 0.00 H ATOM 320 N ILE A 37 105.337 19.021 11.907 1.00 15.25 N ATOM 321 CA ILE A 37 104.653 18.207 12.917 1.00 14.21 C ATOM 322 C ILE A 37 103.216 18.687 13.043 1.00 15.67 C ATOM 323 O ILE A 37 102.973 19.871 13.306 1.00 13.88 O ATOM 324 CB ILE A 37 105.343 18.314 14.294 1.00 17.19 C ATOM 325 CG1 ILE A 37 106.847 17.990 14.219 1.00 28.46 C ATOM 326 CG2 ILE A 37 104.609 17.490 15.338 1.00 17.68 C ATOM 327 CD1 ILE A 37 107.190 16.607 14.291 1.00 30.51 C ATOM 328 H ILE A 37 105.684 19.964 12.175 1.00 0.00 H ATOM 329 N ALA A 38 102.277 17.753 12.984 1.00 15.11 N ATOM 330 CA ALA A 38 100.889 18.023 13.320 1.00 11.21 C ATOM 331 C ALA A 38 100.464 17.137 14.477 1.00 13.85 C ATOM 332 O ALA A 38 100.839 15.952 14.539 1.00 14.33 O ATOM 333 CB ALA A 38 99.967 17.778 12.129 1.00 15.82 C ATOM 334 H ALA A 38 102.543 16.793 12.687 1.00 0.00 H ATOM 335 N VAL A 39 99.661 17.711 15.376 1.00 13.67 N ATOM 336 CA VAL A 39 99.209 17.010 16.568 1.00 12.66 C ATOM 337 C VAL A 39 97.744 17.304 16.791 1.00 13.34 C ATOM 338 O VAL A 39 97.243 18.380 16.465 1.00 14.32 O ATOM 339 CB VAL A 39 100.031 17.392 17.832 1.00 16.13 C ATOM 340 CG1 VAL A 39 101.480 16.967 17.664 1.00 16.95 C ATOM 341 CG2 VAL A 39 99.952 18.904 18.117 1.00 15.97 C ATOM 342 H VAL A 39 99.349 18.691 15.219 1.00 0.00 H ATOM 343 N HIS A 40 97.056 16.323 17.350 1.00 11.49 N ATOM 344 CA HIS A 40 95.604 16.358 17.455 1.00 14.33 C ATOM 345 C HIS A 40 95.220 15.548 18.679 1.00 17.07 C ATOM 346 O HIS A 40 95.562 14.365 18.748 1.00 14.60 O ATOM 347 CB HIS A 40 95.003 15.765 16.168 1.00 14.11 C ATOM 348 CG HIS A 40 93.511 15.729 16.110 1.00 14.94 C ATOM 349 ND1 HIS A 40 92.858 14.948 15.184 1.00 13.55 N ATOM 350 CD2 HIS A 40 92.538 16.369 16.815 1.00 11.70 C ATOM 351 CE1 HIS A 40 91.550 15.101 15.318 1.00 11.50 C ATOM 352 NE2 HIS A 40 91.331 15.949 16.305 1.00 15.33 N ATOM 353 H HIS A 40 97.568 15.500 17.727 1.00 0.00 H ATOM 354 N VAL A 41 94.500 16.169 19.613 1.00 12.84 N ATOM 355 CA VAL A 41 94.102 15.520 20.860 1.00 13.95 C ATOM 356 C VAL A 41 92.590 15.631 20.985 1.00 16.51 C ATOM 357 O VAL A 41 92.038 16.723 20.828 1.00 12.66 O ATOM 358 CB VAL A 41 94.794 16.145 22.084 1.00 14.40 C ATOM 359 CG1 VAL A 41 94.349 15.477 23.385 1.00 19.83 C ATOM 360 CG2 VAL A 41 96.352 16.109 21.903 1.00 17.24 C ATOM 361 H VAL A 41 94.210 17.154 19.448 1.00 0.00 H ATOM 362 N VAL A 42 91.935 14.507 21.261 1.00 14.62 N ATOM 363 CA VAL A 42 90.486 14.397 21.318 1.00 12.02 C ATOM 364 C VAL A 42 90.102 13.823 22.678 1.00 14.14 C ATOM 365 O VAL A 42 90.126 12.595 22.863 1.00 15.41 O ATOM 366 CB VAL A 42 89.935 13.506 20.185 1.00 15.72 C ATOM 367 CG1 VAL A 42 88.410 13.649 20.113 1.00 15.74 C ATOM 368 CG2 VAL A 42 90.589 13.840 18.833 1.00 15.71 C ATOM 369 H VAL A 42 92.495 13.651 21.448 1.00 0.00 H ATOM 370 N PRO A 43 89.758 14.663 23.648 1.00 14.17 N ATOM 371 CA PRO A 43 89.368 14.168 24.970 1.00 14.38 C ATOM 372 C PRO A 43 87.882 13.820 25.051 1.00 18.41 C ATOM 373 O PRO A 43 87.148 13.907 24.058 1.00 15.99 O ATOM 374 CB PRO A 43 89.729 15.347 25.878 1.00 15.49 C ATOM 375 CG PRO A 43 89.489 16.552 25.010 1.00 19.20 C ATOM 376 CD PRO A 43 89.758 16.140 23.584 1.00 23.76 C ATOM 377 N ASP A 44 87.436 13.406 26.244 1.00 18.71 N ATOM 378 CA ASP A 44 86.012 13.182 26.551 1.00 16.91 C ATOM 379 C ASP A 44 85.393 12.071 25.740 1.00 18.29 C ATOM 380 O ASP A 44 84.160 12.024 25.591 1.00 19.45 O ATOM 381 CB ASP A 44 85.193 14.472 26.362 1.00 21.04 C ATOM 382 CG ASP A 44 85.677 15.596 27.258 1.00 23.43 C ATOM 383 OD1 ASP A 44 85.576 15.470 28.498 1.00 25.19 O ATOM 384 OD2 ASP A 44 86.160 16.593 26.711 1.00 29.62 O ATOM 385 H ASP A 44 88.133 13.233 26.996 1.00 0.00 H ATOM 386 N GLN A 45 86.198 11.130 25.269 1.00 13.03 N ATOM 387 CA GLN A 45 85.690 10.116 24.380 1.00 12.31 C ATOM 388 C GLN A 45 85.041 8.991 25.174 1.00 18.11 C ATOM 389 O GLN A 45 85.458 8.661 26.288 1.00 16.26 O ATOM 390 CB GLN A 45 86.806 9.540 23.501 1.00 18.28 C ATOM 391 CG GLN A 45 87.312 10.543 22.447 1.00 17.17 C ATOM 392 CD GLN A 45 86.167 11.077 21.592 1.00 16.91 C ATOM 393 OE1 GLN A 45 85.660 10.382 20.733 1.00 15.09 O ATOM 394 NE2 GLN A 45 85.717 12.294 21.887 1.00 17.72 N ATOM 395 HE22 GLN A 45 86.182 12.854 22.630 1.00 0.00 H ATOM 396 HE21 GLN A 45 84.901 12.685 21.375 1.00 0.00 H ATOM 397 H GLN A 45 87.201 11.123 25.542 1.00 0.00 H ATOM 398 N LEU A 46 84.030 8.389 24.558 1.00 14.16 N ATOM 399 CA LEU A 46 83.361 7.197 25.072 1.00 14.35 C ATOM 400 C LEU A 46 84.160 5.988 24.596 1.00 20.16 C ATOM 401 O LEU A 46 84.020 5.530 23.452 1.00 15.02 O ATOM 402 CB LEU A 46 81.918 7.171 24.592 1.00 14.94 C ATOM 403 CG LEU A 46 80.965 6.073 25.015 1.00 35.02 C ATOM 404 CD1 LEU A 46 80.780 6.036 26.541 1.00 43.33 C ATOM 405 CD2 LEU A 46 79.668 6.327 24.305 1.00 33.65 C ATOM 406 H LEU A 46 83.696 8.789 23.658 1.00 0.00 H ATOM 407 N MET A 47 85.023 5.473 25.466 1.00 13.88 N ATOM 408 CA MET A 47 85.823 4.322 25.070 1.00 20.89 C ATOM 409 C MET A 47 86.049 3.403 26.255 1.00 18.47 C ATOM 410 O MET A 47 85.869 3.784 27.415 1.00 22.31 O ATOM 411 CB MET A 47 87.181 4.721 24.428 1.00 23.26 C ATOM 412 CG MET A 47 87.865 5.948 24.940 1.00 30.95 C ATOM 413 SD MET A 47 89.592 6.081 24.336 1.00 21.22 S ATOM 414 CE MET A 47 89.379 6.565 22.611 1.00 25.46 C ATOM 415 H MET A 47 85.125 5.886 26.415 1.00 0.00 H ATOM 416 N ALA A 48 86.402 2.166 25.930 1.00 18.65 N ATOM 417 CA ALA A 48 86.795 1.175 26.919 1.00 18.37 C ATOM 418 C ALA A 48 88.025 0.456 26.414 1.00 19.61 C ATOM 419 O ALA A 48 88.208 0.263 25.212 1.00 16.26 O ATOM 420 CB ALA A 48 85.688 0.171 27.194 1.00 19.18 C ATOM 421 H ALA A 48 86.397 1.894 24.926 1.00 0.00 H ATOM 422 N PHE A 49 88.891 0.095 27.350 1.00 18.61 N ATOM 423 CA PHE A 49 90.120 -0.610 27.051 1.00 17.04 C ATOM 424 C PHE A 49 90.106 -1.857 27.923 1.00 16.69 C ATOM 425 O PHE A 49 90.090 -1.748 29.154 1.00 16.97 O ATOM 426 CB PHE A 49 91.329 0.282 27.350 1.00 16.98 C ATOM 427 CG PHE A 49 92.628 -0.238 26.813 1.00 15.59 C ATOM 428 CD1 PHE A 49 93.254 0.387 25.729 1.00 21.05 C ATOM 429 CD2 PHE A 49 93.237 -1.342 27.387 1.00 17.97 C ATOM 430 CE1 PHE A 49 94.481 -0.078 25.246 1.00 19.02 C ATOM 431 CE2 PHE A 49 94.456 -1.819 26.898 1.00 22.40 C ATOM 432 CZ PHE A 49 95.068 -1.184 25.822 1.00 22.03 C ATOM 433 H PHE A 49 88.679 0.328 28.341 1.00 0.00 H ATOM 434 N GLY A 50 90.071 -3.024 27.298 1.00 20.51 N ATOM 435 CA GLY A 50 90.026 -4.254 28.076 1.00 23.76 C ATOM 436 C GLY A 50 88.829 -4.333 28.992 1.00 26.34 C ATOM 437 O GLY A 50 88.945 -4.839 30.118 1.00 27.55 O ATOM 438 H GLY A 50 90.076 -3.062 26.259 1.00 0.00 H ATOM 439 N GLY A 51 87.678 -3.828 28.540 1.00 22.90 N ATOM 440 CA GLY A 51 86.449 -3.841 29.312 1.00 23.10 C ATOM 441 C GLY A 51 86.348 -2.792 30.408 1.00 24.83 C ATOM 442 O GLY A 51 85.319 -2.733 31.083 1.00 33.48 O ATOM 443 H GLY A 51 87.662 -3.405 27.590 1.00 0.00 H ATOM 444 N SER A 52 87.378 -1.969 30.606 1.00 18.63 N ATOM 445 CA SER A 52 87.450 -0.994 31.692 1.00 23.23 C ATOM 446 C SER A 52 87.349 0.428 31.146 1.00 27.68 C ATOM 447 O SER A 52 87.936 0.739 30.111 1.00 20.32 O ATOM 448 CB SER A 52 88.772 -1.153 32.448 1.00 19.85 C ATOM 449 OG SER A 52 89.030 -0.042 33.271 1.00 28.88 O ATOM 450 HG SER A 52 89.889 -0.176 33.744 1.00 0.00 H ATOM 451 H SER A 52 88.180 -2.024 29.946 1.00 0.00 H ATOM 452 N SER A 53 86.625 1.306 31.845 1.00 24.27 N ATOM 453 CA SER A 53 86.566 2.708 31.446 1.00 25.60 C ATOM 454 C SER A 53 87.560 3.574 32.214 1.00 22.07 C ATOM 455 O SER A 53 87.397 4.803 32.254 1.00 23.11 O ATOM 456 CB SER A 53 85.151 3.248 31.614 1.00 35.08 C ATOM 457 OG SER A 53 84.805 3.294 32.981 1.00 41.69 O ATOM 458 HG SER A 53 84.851 2.382 33.363 1.00 0.00 H ATOM 459 H SER A 53 86.098 0.987 32.683 1.00 0.00 H ATOM 460 N GLU A 54 88.579 2.966 32.830 1.00 21.83 N ATOM 461 CA GLU A 54 89.657 3.743 33.422 1.00 21.89 C ATOM 462 C GLU A 54 90.345 4.530 32.309 1.00 20.95 C ATOM 463 O GLU A 54 90.173 4.220 31.133 1.00 17.99 O ATOM 464 CB GLU A 54 90.672 2.846 34.146 1.00 23.27 C ATOM 465 CG GLU A 54 90.155 2.190 35.441 1.00 27.61 C ATOM 466 CD GLU A 54 89.646 3.217 36.471 1.00 34.07 C ATOM 467 H GLU A 54 88.601 1.928 32.886 1.00 0.00 H ATOM 468 N PRO A 55 91.107 5.565 32.652 1.00 21.48 N ATOM 469 CA PRO A 55 91.769 6.354 31.609 1.00 15.76 C ATOM 470 C PRO A 55 92.519 5.473 30.617 1.00 17.71 C ATOM 471 O PRO A 55 93.265 4.560 30.989 1.00 16.87 O ATOM 472 CB PRO A 55 92.717 7.255 32.408 1.00 20.05 C ATOM 473 CG PRO A 55 91.966 7.491 33.689 1.00 19.83 C ATOM 474 CD PRO A 55 91.343 6.134 33.994 1.00 22.02 C ATOM 475 N CYS A 56 92.309 5.753 29.336 1.00 18.99 N ATOM 476 CA CYS A 56 92.981 5.035 28.264 1.00 14.06 C ATOM 477 C CYS A 56 93.141 5.966 27.064 1.00 15.87 C ATOM 478 O CYS A 56 92.555 7.044 27.014 1.00 15.60 O ATOM 479 CB CYS A 56 92.195 3.780 27.869 1.00 19.03 C ATOM 480 SG CYS A 56 90.474 4.080 27.322 1.00 17.81 S ATOM 481 H CYS A 56 91.641 6.512 29.091 1.00 0.00 H ATOM 482 N ALA A 57 93.925 5.517 26.080 1.00 15.68 N ATOM 483 CA ALA A 57 94.160 6.295 24.870 1.00 15.38 C ATOM 484 C ALA A 57 94.314 5.370 23.671 1.00 14.40 C ATOM 485 O ALA A 57 94.924 4.297 23.764 1.00 17.44 O ATOM 486 CB ALA A 57 95.400 7.181 24.975 1.00 16.10 C ATOM 487 H ALA A 57 94.380 4.587 26.180 1.00 0.00 H ATOM 488 N LEU A 58 93.737 5.793 22.553 1.00 14.87 N ATOM 489 CA LEU A 58 93.931 5.149 21.258 1.00 13.14 C ATOM 490 C LEU A 58 94.542 6.197 20.342 1.00 13.86 C ATOM 491 O LEU A 58 93.933 7.249 20.120 1.00 12.75 O ATOM 492 CB LEU A 58 92.601 4.641 20.709 1.00 13.87 C ATOM 493 CG LEU A 58 91.829 3.671 21.612 1.00 17.10 C ATOM 494 CD1 LEU A 58 90.561 3.272 20.916 1.00 15.97 C ATOM 495 CD2 LEU A 58 92.654 2.417 21.958 1.00 16.28 C ATOM 496 H LEU A 58 93.115 6.625 22.602 1.00 0.00 H ATOM 497 N CYS A 59 95.748 5.927 19.839 1.00 15.70 N ATOM 498 CA CYS A 59 96.551 6.927 19.158 1.00 13.02 C ATOM 499 C CYS A 59 97.044 6.403 17.829 1.00 14.42 C ATOM 500 O CYS A 59 97.022 5.197 17.550 1.00 13.24 O ATOM 501 CB CYS A 59 97.795 7.334 19.956 1.00 15.06 C ATOM 502 SG CYS A 59 97.475 7.602 21.690 1.00 14.25 S ATOM 503 H CYS A 59 96.127 4.964 19.938 1.00 0.00 H ATOM 504 N SER A 60 97.530 7.326 17.010 1.00 14.52 N ATOM 505 CA SER A 60 98.173 6.944 15.762 1.00 13.63 C ATOM 506 C SER A 60 99.324 7.890 15.467 1.00 14.85 C ATOM 507 O SER A 60 99.263 9.089 15.763 1.00 11.81 O ATOM 508 CB SER A 60 97.202 6.944 14.573 1.00 15.08 C ATOM 509 OG SER A 60 96.611 8.215 14.410 1.00 14.20 O ATOM 510 HG SER A 60 97.318 8.888 14.246 1.00 0.00 H ATOM 511 H SER A 60 97.451 8.332 17.262 1.00 0.00 H ATOM 512 N LEU A 61 100.358 7.340 14.827 1.00 14.12 N ATOM 513 CA LEU A 61 101.502 8.118 14.393 1.00 15.09 C ATOM 514 C LEU A 61 101.753 7.748 12.943 1.00 13.81 C ATOM 515 O LEU A 61 101.940 6.565 12.632 1.00 14.22 O ATOM 516 CB LEU A 61 102.742 7.866 15.257 1.00 14.27 C ATOM 517 CG LEU A 61 103.951 8.759 14.924 1.00 22.19 C ATOM 518 CD1 LEU A 61 103.715 10.198 15.345 1.00 23.70 C ATOM 519 CD2 LEU A 61 105.207 8.265 15.573 1.00 31.79 C ATOM 520 H LEU A 61 100.343 6.318 14.633 1.00 0.00 H ATOM 521 N HIS A 62 101.618 8.743 12.064 1.00 17.67 N ATOM 522 CA HIS A 62 101.804 8.597 10.624 1.00 14.62 C ATOM 523 C HIS A 62 103.078 9.343 10.234 1.00 17.44 C ATOM 524 O HIS A 62 103.301 10.495 10.652 1.00 15.11 O ATOM 525 CB HIS A 62 100.627 9.161 9.816 1.00 13.32 C ATOM 526 CG HIS A 62 99.306 8.465 10.010 1.00 14.59 C ATOM 527 ND1 HIS A 62 98.521 8.629 11.131 1.00 17.59 N ATOM 528 CD2 HIS A 62 98.617 7.642 9.190 1.00 18.17 C ATOM 529 CE1 HIS A 62 97.418 7.918 11.001 1.00 17.30 C ATOM 530 NE2 HIS A 62 97.450 7.307 9.829 1.00 21.69 N ATOM 531 H HIS A 62 101.364 9.683 12.429 1.00 0.00 H ATOM 532 N SER A 63 103.927 8.677 9.459 1.00 16.32 N ATOM 533 CA SER A 63 105.224 9.226 9.079 1.00 15.08 C ATOM 534 C SER A 63 105.533 8.740 7.674 1.00 20.34 C ATOM 535 O SER A 63 105.174 7.622 7.315 1.00 16.81 O ATOM 536 CB SER A 63 106.321 8.760 10.064 1.00 21.41 C ATOM 537 OG SER A 63 107.543 9.403 9.821 1.00 28.28 O ATOM 538 HG SER A 63 108.219 9.081 10.469 1.00 0.00 H ATOM 539 H SER A 63 103.658 7.734 9.112 1.00 0.00 H ATOM 540 N ILE A 64 106.195 9.578 6.878 1.00 17.50 N ATOM 541 CA ILE A 64 106.686 9.150 5.572 1.00 15.21 C ATOM 542 C ILE A 64 108.072 8.545 5.808 1.00 23.26 C ATOM 543 O ILE A 64 109.074 9.257 5.918 1.00 23.38 O ATOM 544 CB ILE A 64 106.715 10.309 4.573 1.00 17.19 C ATOM 545 CG1 ILE A 64 105.296 10.818 4.335 1.00 19.93 C ATOM 546 CG2 ILE A 64 107.318 9.834 3.230 1.00 22.99 C ATOM 547 CD1 ILE A 64 105.208 12.214 3.650 1.00 21.34 C ATOM 548 H ILE A 64 106.365 10.555 7.193 1.00 0.00 H ATOM 549 N GLY A 65 108.124 7.221 5.921 1.00 26.70 N ATOM 550 CA GLY A 65 109.349 6.576 6.356 1.00 30.82 C ATOM 551 C GLY A 65 109.625 6.748 7.845 1.00 31.62 C ATOM 552 O GLY A 65 108.825 7.273 8.623 1.00 29.10 O ATOM 553 H GLY A 65 107.286 6.647 5.697 1.00 0.00 H ATOM 554 N LYS A 66 110.809 6.269 8.241 1.00 35.09 N ATOM 555 CA LYS A 66 111.264 6.350 9.635 1.00 36.56 C ATOM 556 C LYS A 66 110.304 5.616 10.577 1.00 32.68 C ATOM 557 O LYS A 66 110.081 6.033 11.721 1.00 29.46 O ATOM 558 CB LYS A 66 111.452 7.807 10.072 1.00 32.61 C ATOM 559 CG LYS A 66 112.221 8.670 9.044 1.00 47.58 C ATOM 560 CD LYS A 66 113.461 7.959 8.475 1.00 39.61 C ATOM 561 CE LYS A 66 114.073 8.704 7.273 1.00 36.75 C ATOM 562 H LYS A 66 111.430 5.823 7.536 1.00 0.00 H ATOM 563 N ILE A 67 109.728 4.520 10.084 1.00 32.13 N ATOM 564 CA ILE A 67 108.875 3.631 10.868 1.00 30.82 C ATOM 565 C ILE A 67 109.501 2.241 10.839 1.00 25.18 C ATOM 566 O ILE A 67 109.917 1.754 9.780 1.00 26.91 O ATOM 567 CB ILE A 67 107.431 3.588 10.309 1.00 25.71 C ATOM 568 CG1 ILE A 67 106.715 4.942 10.475 1.00 20.84 C ATOM 569 CG2 ILE A 67 106.611 2.434 10.927 1.00 24.82 C ATOM 570 CD1 ILE A 67 106.343 5.310 11.917 1.00 23.63 C ATOM 571 H ILE A 67 109.895 4.285 9.085 1.00 0.00 H ATOM 572 N GLY A 68 109.546 1.593 11.994 1.00 29.10 N ATOM 573 CA GLY A 68 110.085 0.250 12.066 1.00 28.33 C ATOM 574 C GLY A 68 110.220 -0.165 13.513 1.00 26.30 C ATOM 575 O GLY A 68 109.957 0.615 14.427 1.00 20.73 O ATOM 576 H GLY A 68 109.191 2.053 12.857 1.00 0.00 H ATOM 577 N GLY A 69 110.643 -1.416 13.698 1.00 28.34 N ATOM 578 CA GLY A 69 110.674 -2.034 15.012 1.00 23.05 C ATOM 579 C GLY A 69 111.285 -1.200 16.125 1.00 24.24 C ATOM 580 O GLY A 69 110.614 -0.901 17.128 1.00 20.13 O ATOM 581 H GLY A 69 110.961 -1.967 12.875 1.00 0.00 H ATOM 582 N ALA A 70 112.568 -0.845 15.973 1.00 21.77 N ATOM 583 CA ALA A 70 113.279 -0.105 17.016 1.00 28.01 C ATOM 584 C ALA A 70 112.742 1.315 17.172 1.00 21.20 C ATOM 585 O ALA A 70 112.588 1.802 18.296 1.00 20.98 O ATOM 586 CB ALA A 70 114.778 -0.063 16.706 1.00 29.35 C ATOM 587 H ALA A 70 113.068 -1.100 15.097 1.00 0.00 H ATOM 588 N GLN A 71 112.520 2.020 16.058 1.00 20.55 N ATOM 589 CA GLN A 71 112.010 3.392 16.146 1.00 24.82 C ATOM 590 C GLN A 71 110.623 3.421 16.789 1.00 17.81 C ATOM 591 O GLN A 71 110.304 4.331 17.570 1.00 20.69 O ATOM 592 CB GLN A 71 111.962 4.028 14.749 1.00 23.49 C ATOM 593 CG GLN A 71 113.312 4.039 14.031 1.00 41.27 C ATOM 594 CD GLN A 71 113.223 4.405 12.551 1.00 41.27 C ATOM 595 OE1 GLN A 71 113.502 5.543 12.172 1.00 45.09 O ATOM 596 NE2 GLN A 71 112.853 3.436 11.710 1.00 31.10 N ATOM 597 HE22 GLN A 71 112.626 2.489 12.075 1.00 0.00 H ATOM 598 HE21 GLN A 71 112.791 3.628 10.690 1.00 0.00 H ATOM 599 H GLN A 71 112.709 1.595 15.128 1.00 0.00 H ATOM 600 N ASN A 72 109.780 2.446 16.457 1.00 18.12 N ATOM 601 CA ASN A 72 108.434 2.410 17.039 1.00 18.41 C ATOM 602 C ASN A 72 108.479 2.141 18.538 1.00 20.56 C ATOM 603 O ASN A 72 107.708 2.725 19.308 1.00 17.41 O ATOM 604 CB ASN A 72 107.579 1.360 16.343 1.00 18.68 C ATOM 605 CG ASN A 72 107.299 1.694 14.895 1.00 20.11 C ATOM 606 OD1 ASN A 72 107.646 2.777 14.413 1.00 18.01 O ATOM 607 ND2 ASN A 72 106.654 0.760 14.187 1.00 17.96 N ATOM 608 HD22 ASN A 72 106.382 -0.138 14.636 1.00 0.00 H ATOM 609 HD21 ASN A 72 106.425 0.931 13.187 1.00 0.00 H ATOM 610 H ASN A 72 110.076 1.710 15.785 1.00 0.00 H ATOM 611 N ARG A 73 109.352 1.243 18.980 1.00 17.58 N ATOM 612 CA ARG A 73 109.531 1.077 20.419 1.00 19.14 C ATOM 613 C ARG A 73 109.926 2.393 21.072 1.00 19.26 C ATOM 614 O ARG A 73 109.434 2.739 22.157 1.00 18.70 O ATOM 615 CB ARG A 73 110.604 0.019 20.708 1.00 22.08 C ATOM 616 CG ARG A 73 110.154 -1.392 20.475 1.00 24.37 C ATOM 617 CD ARG A 73 111.133 -2.437 21.108 1.00 32.95 C ATOM 618 NE ARG A 73 112.337 -2.636 20.293 1.00 40.04 N ATOM 619 CZ ARG A 73 113.536 -2.104 20.541 1.00 52.28 C ATOM 620 NH1 ARG A 73 114.552 -2.346 19.711 1.00 43.32 N ATOM 621 NH2 ARG A 73 113.734 -1.337 21.610 1.00 54.66 N ATOM 622 HE ARG A 73 112.249 -3.242 19.452 1.00 0.00 H ATOM 623 HH12 ARG A 73 115.488 -1.934 19.900 1.00 0.00 H ATOM 624 HH11 ARG A 73 114.408 -2.947 18.875 1.00 0.00 H ATOM 625 HH22 ARG A 73 114.674 -0.929 21.791 1.00 0.00 H ATOM 626 HH21 ARG A 73 112.949 -1.145 22.265 1.00 0.00 H ATOM 627 H ARG A 73 109.900 0.666 18.310 1.00 0.00 H ATOM 628 N SER A 74 110.842 3.128 20.438 1.00 21.95 N ATOM 629 CA SER A 74 111.298 4.391 21.015 1.00 23.23 C ATOM 630 C SER A 74 110.173 5.417 21.056 1.00 17.50 C ATOM 631 O SER A 74 110.006 6.112 22.065 1.00 18.16 O ATOM 632 CB SER A 74 112.492 4.942 20.221 1.00 26.90 C ATOM 633 OG SER A 74 112.899 6.191 20.748 1.00 35.78 O ATOM 634 HG SER A 74 113.165 6.078 21.695 1.00 0.00 H ATOM 635 H SER A 74 111.232 2.801 19.531 1.00 0.00 H ATOM 636 N TYR A 75 109.391 5.527 19.975 1.00 19.76 N ATOM 637 CA TYR A 75 108.224 6.405 20.008 1.00 17.07 C ATOM 638 C TYR A 75 107.249 5.997 21.099 1.00 12.12 C ATOM 639 O TYR A 75 106.654 6.849 21.767 1.00 16.35 O ATOM 640 CB TYR A 75 107.499 6.396 18.665 1.00 19.67 C ATOM 641 CG TYR A 75 108.281 6.917 17.481 1.00 24.41 C ATOM 642 CD1 TYR A 75 109.228 7.924 17.617 1.00 38.91 C ATOM 643 CD2 TYR A 75 108.071 6.378 16.228 1.00 22.06 C ATOM 644 CE1 TYR A 75 109.942 8.384 16.506 1.00 37.19 C ATOM 645 CE2 TYR A 75 108.757 6.819 15.130 1.00 34.46 C ATOM 646 CZ TYR A 75 109.697 7.820 15.268 1.00 37.45 C ATOM 647 OH TYR A 75 110.383 8.253 14.156 1.00 59.53 O ATOM 648 HH TYR A 75 109.741 8.606 13.490 1.00 0.00 H ATOM 649 H TYR A 75 109.614 4.989 19.114 1.00 0.00 H ATOM 650 N SER A 76 107.032 4.699 21.277 1.00 17.59 N ATOM 651 CA SER A 76 106.044 4.273 22.269 1.00 16.08 C ATOM 652 C SER A 76 106.475 4.631 23.683 1.00 18.71 C ATOM 653 O SER A 76 105.648 5.038 24.503 1.00 16.26 O ATOM 654 CB SER A 76 105.798 2.762 22.170 1.00 16.75 C ATOM 655 OG SER A 76 105.212 2.409 20.926 1.00 17.84 O ATOM 656 HG SER A 76 105.817 2.677 20.190 1.00 0.00 H ATOM 657 H SER A 76 107.557 3.995 20.719 1.00 0.00 H ATOM 658 N LYS A 77 107.767 4.488 23.988 1.00 17.12 N ATOM 659 CA LYS A 77 108.262 4.902 25.295 1.00 17.97 C ATOM 660 C LYS A 77 108.076 6.401 25.503 1.00 19.98 C ATOM 661 O LYS A 77 107.659 6.850 26.575 1.00 19.79 O ATOM 662 CB LYS A 77 109.741 4.541 25.420 1.00 17.87 C ATOM 663 CG LYS A 77 110.297 4.892 26.815 1.00 20.91 C ATOM 664 CD LYS A 77 111.795 4.586 26.911 1.00 36.80 C ATOM 665 CE LYS A 77 112.333 4.880 28.316 1.00 36.38 C ATOM 666 H LYS A 77 108.422 4.080 23.291 1.00 0.00 H ATOM 667 N LEU A 78 108.436 7.190 24.493 1.00 21.23 N ATOM 668 CA LEU A 78 108.285 8.641 24.578 1.00 20.80 C ATOM 669 C LEU A 78 106.835 9.034 24.787 1.00 18.12 C ATOM 670 O LEU A 78 106.515 9.843 25.665 1.00 16.39 O ATOM 671 CB LEU A 78 108.814 9.287 23.303 1.00 22.62 C ATOM 672 CG LEU A 78 108.478 10.782 23.161 1.00 21.60 C ATOM 673 CD1 LEU A 78 109.336 11.561 24.150 1.00 30.22 C ATOM 674 CD2 LEU A 78 108.689 11.250 21.719 1.00 22.86 C ATOM 675 H LEU A 78 108.831 6.767 23.629 1.00 0.00 H ATOM 676 N LEU A 79 105.951 8.507 23.949 1.00 15.77 N ATOM 677 CA LEU A 79 104.562 8.954 23.923 1.00 14.48 C ATOM 678 C LEU A 79 103.762 8.401 25.093 1.00 18.46 C ATOM 679 O LEU A 79 102.972 9.133 25.702 1.00 16.69 O ATOM 680 CB LEU A 79 103.909 8.554 22.591 1.00 17.27 C ATOM 681 CG LEU A 79 104.559 9.212 21.369 1.00 20.90 C ATOM 682 CD1 LEU A 79 104.167 8.524 20.078 1.00 21.81 C ATOM 683 CD2 LEU A 79 104.165 10.690 21.327 1.00 24.88 C ATOM 684 H LEU A 79 106.255 7.758 23.295 1.00 0.00 H ATOM 685 N CYS A 80 103.957 7.118 25.443 1.00 18.16 N ATOM 686 CA CYS A 80 103.339 6.607 26.670 1.00 14.99 C ATOM 687 C CYS A 80 103.824 7.386 27.874 1.00 14.94 C ATOM 688 O CYS A 80 103.059 7.633 28.815 1.00 19.52 O ATOM 689 CB CYS A 80 103.642 5.112 26.881 1.00 17.32 C ATOM 690 SG CYS A 80 102.809 3.952 25.701 1.00 17.52 S ATOM 691 H CYS A 80 104.540 6.494 24.849 1.00 0.00 H ATOM 692 N GLY A 81 105.097 7.774 27.860 1.00 18.92 N ATOM 693 CA GLY A 81 105.636 8.556 28.956 1.00 19.74 C ATOM 694 C GLY A 81 104.936 9.890 29.104 1.00 16.11 C ATOM 695 O GLY A 81 104.563 10.288 30.213 1.00 18.67 O ATOM 696 H GLY A 81 105.708 7.515 27.059 1.00 0.00 H ATOM 697 N LEU A 82 104.689 10.571 27.977 1.00 18.99 N ATOM 698 CA LEU A 82 103.974 11.842 27.998 1.00 19.43 C ATOM 699 C LEU A 82 102.522 11.669 28.434 1.00 16.61 C ATOM 700 O LEU A 82 101.989 12.492 29.189 1.00 17.57 O ATOM 701 CB LEU A 82 104.030 12.487 26.612 1.00 19.47 C ATOM 702 CG LEU A 82 105.355 13.144 26.287 1.00 28.26 C ATOM 703 CD1 LEU A 82 105.535 13.287 24.768 1.00 26.04 C ATOM 704 CD2 LEU A 82 105.382 14.501 26.994 1.00 34.89 C ATOM 705 H LEU A 82 105.014 10.185 27.068 1.00 0.00 H ATOM 706 N LEU A 83 101.853 10.629 27.932 1.00 16.04 N ATOM 707 CA LEU A 83 100.459 10.397 28.296 1.00 15.63 C ATOM 708 C LEU A 83 100.318 10.010 29.767 1.00 14.06 C ATOM 709 O LEU A 83 99.318 10.372 30.404 1.00 18.05 O ATOM 710 CB LEU A 83 99.852 9.318 27.391 1.00 18.91 C ATOM 711 CG LEU A 83 99.766 9.646 25.900 1.00 17.35 C ATOM 712 CD1 LEU A 83 99.371 8.405 25.100 1.00 18.57 C ATOM 713 CD2 LEU A 83 98.768 10.748 25.649 1.00 15.90 C ATOM 714 H LEU A 83 102.329 9.978 27.276 1.00 0.00 H ATOM 715 N ALA A 84 101.289 9.271 30.306 1.00 17.95 N ATOM 716 CA ALA A 84 101.278 8.936 31.727 1.00 17.55 C ATOM 717 C ALA A 84 101.525 10.186 32.569 1.00 17.55 C ATOM 718 O ALA A 84 100.817 10.443 33.550 1.00 19.67 O ATOM 719 CB ALA A 84 102.335 7.863 32.023 1.00 19.15 C ATOM 720 H ALA A 84 102.066 8.928 29.705 1.00 0.00 H ATOM 721 N GLU A 85 102.512 10.988 32.188 1.00 19.13 N ATOM 722 CA GLU A 85 102.851 12.149 33.009 1.00 19.72 C ATOM 723 C GLU A 85 101.773 13.219 32.942 1.00 24.53 C ATOM 724 O GLU A 85 101.370 13.779 33.969 1.00 20.48 O ATOM 725 CB GLU A 85 104.198 12.729 32.578 1.00 23.74 C ATOM 726 CG GLU A 85 104.486 14.078 33.235 1.00 39.37 C ATOM 727 CD GLU A 85 105.936 14.494 33.110 1.00 48.64 C ATOM 728 OE1 GLU A 85 106.740 13.681 32.611 1.00 55.16 O ATOM 729 OE2 GLU A 85 106.269 15.626 33.520 1.00 56.69 O ATOM 730 H GLU A 85 103.039 10.792 31.313 1.00 0.00 H ATOM 731 N ARG A 86 101.290 13.526 31.744 1.00 15.50 N ATOM 732 CA ARG A 86 100.416 14.684 31.599 1.00 18.27 C ATOM 733 C ARG A 86 98.944 14.338 31.714 1.00 19.82 C ATOM 734 O ARG A 86 98.173 15.149 32.238 1.00 19.12 O ATOM 735 CB ARG A 86 100.665 15.358 30.264 1.00 18.26 C ATOM 736 CG ARG A 86 102.072 15.788 30.092 1.00 19.12 C ATOM 737 CD ARG A 86 102.491 16.801 31.166 1.00 24.99 C ATOM 738 NE ARG A 86 103.781 17.366 30.815 1.00 21.79 N ATOM 739 CZ ARG A 86 104.658 17.887 31.669 1.00 41.87 C ATOM 740 NH1 ARG A 86 104.392 17.960 32.973 1.00 41.20 N ATOM 741 NH2 ARG A 86 105.814 18.343 31.202 1.00 27.48 N ATOM 742 HE ARG A 86 104.042 17.363 29.808 1.00 0.00 H ATOM 743 HH12 ARG A 86 105.091 18.371 33.624 1.00 0.00 H ATOM 744 HH11 ARG A 86 103.485 17.606 33.339 1.00 0.00 H ATOM 745 HH22 ARG A 86 106.512 18.754 31.854 1.00 0.00 H ATOM 746 HH21 ARG A 86 106.021 18.289 30.184 1.00 0.00 H ATOM 747 H ARG A 86 101.533 12.945 30.916 1.00 0.00 H ATOM 748 N LEU A 87 98.529 13.165 31.220 1.00 16.94 N ATOM 749 CA LEU A 87 97.117 12.762 31.282 1.00 17.37 C ATOM 750 C LEU A 87 96.842 11.660 32.305 1.00 15.34 C ATOM 751 O LEU A 87 95.674 11.268 32.479 1.00 18.28 O ATOM 752 CB LEU A 87 96.615 12.321 29.883 1.00 17.58 C ATOM 753 CG LEU A 87 96.788 13.352 28.745 1.00 22.30 C ATOM 754 CD1 LEU A 87 96.111 12.875 27.443 1.00 20.97 C ATOM 755 CD2 LEU A 87 96.310 14.730 29.115 1.00 26.08 C ATOM 756 H LEU A 87 99.222 12.524 30.782 1.00 0.00 H ATOM 757 N ARG A 88 97.871 11.164 32.990 1.00 19.85 N ATOM 758 CA ARG A 88 97.732 10.127 34.027 1.00 17.10 C ATOM 759 C ARG A 88 97.136 8.836 33.462 1.00 25.43 C ATOM 760 O ARG A 88 96.335 8.164 34.119 1.00 18.71 O ATOM 761 CB ARG A 88 96.894 10.617 35.209 1.00 23.09 C ATOM 762 CG ARG A 88 97.286 11.996 35.769 1.00 30.68 C ATOM 763 CD ARG A 88 98.790 12.194 35.908 1.00 34.59 C ATOM 764 NE ARG A 88 99.432 11.333 36.892 1.00 41.72 N ATOM 765 CZ ARG A 88 100.754 11.225 37.018 1.00 41.00 C ATOM 766 HE ARG A 88 98.828 10.774 37.528 1.00 0.00 H ATOM 767 H ARG A 88 98.823 11.528 32.782 1.00 0.00 H ATOM 768 N ILE A 89 97.511 8.491 32.230 1.00 21.71 N ATOM 769 CA ILE A 89 97.083 7.250 31.587 1.00 17.14 C ATOM 770 C ILE A 89 98.208 6.226 31.722 1.00 15.31 C ATOM 771 O ILE A 89 99.356 6.503 31.376 1.00 16.66 O ATOM 772 CB ILE A 89 96.729 7.477 30.100 1.00 17.29 C ATOM 773 CG1 ILE A 89 95.599 8.515 29.955 1.00 17.51 C ATOM 774 CG2 ILE A 89 96.337 6.149 29.425 1.00 16.24 C ATOM 775 CD1 ILE A 89 95.435 9.063 28.541 1.00 22.41 C ATOM 776 H ILE A 89 98.136 9.134 31.703 1.00 0.00 H ATOM 777 N SER A 90 97.878 5.036 32.219 1.00 19.26 N ATOM 778 CA SER A 90 98.883 3.988 32.348 1.00 19.16 C ATOM 779 C SER A 90 99.367 3.523 30.976 1.00 19.78 C ATOM 780 O SER A 90 98.553 3.352 30.052 1.00 18.68 O ATOM 781 CB SER A 90 98.315 2.782 33.121 1.00 23.20 C ATOM 782 OG SER A 90 99.312 1.778 33.205 1.00 22.69 O ATOM 783 HG SER A 90 99.574 1.497 32.292 1.00 0.00 H ATOM 784 H SER A 90 96.898 4.853 32.517 1.00 0.00 H ATOM 785 N PRO A 91 100.676 3.282 30.806 1.00 17.20 N ATOM 786 CA PRO A 91 101.162 2.855 29.485 1.00 19.34 C ATOM 787 C PRO A 91 100.506 1.591 28.955 1.00 19.34 C ATOM 788 O PRO A 91 100.420 1.424 27.729 1.00 15.40 O ATOM 789 CB PRO A 91 102.665 2.657 29.723 1.00 17.25 C ATOM 790 CG PRO A 91 102.973 3.712 30.726 1.00 16.48 C ATOM 791 CD PRO A 91 101.812 3.646 31.678 1.00 19.92 C ATOM 792 N ASP A 92 100.035 0.694 29.827 1.00 15.69 N ATOM 793 CA ASP A 92 99.409 -0.528 29.371 1.00 16.76 C ATOM 794 C ASP A 92 97.922 -0.330 29.050 1.00 15.98 C ATOM 795 O ASP A 92 97.217 -1.313 28.763 1.00 18.71 O ATOM 796 CB ASP A 92 99.612 -1.664 30.395 1.00 19.30 C ATOM 797 CG ASP A 92 98.979 -1.402 31.747 1.00 30.41 C ATOM 798 OD1 ASP A 92 98.293 -0.371 31.994 1.00 23.71 O ATOM 799 OD2 ASP A 92 99.184 -2.298 32.591 1.00 25.22 O ATOM 800 H ASP A 92 100.120 0.877 30.847 1.00 0.00 H ATOM 801 N ARG A 93 97.449 0.925 29.059 1.00 15.98 N ATOM 802 CA ARG A 93 96.127 1.286 28.569 1.00 13.58 C ATOM 803 C ARG A 93 96.219 2.263 27.394 1.00 16.70 C ATOM 804 O ARG A 93 95.301 3.056 27.154 1.00 19.53 O ATOM 805 CB ARG A 93 95.285 1.859 29.706 1.00 21.74 C ATOM 806 CG ARG A 93 95.023 0.809 30.799 1.00 20.99 C ATOM 807 CD ARG A 93 94.122 1.271 31.914 1.00 19.15 C ATOM 808 NE ARG A 93 92.825 1.730 31.440 1.00 18.73 N ATOM 809 CZ ARG A 93 91.871 0.919 31.011 1.00 19.88 C ATOM 810 NH1 ARG A 93 92.080 -0.395 30.990 1.00 23.47 N ATOM 811 NH2 ARG A 93 90.726 1.414 30.568 1.00 19.60 N ATOM 812 HE ARG A 93 92.637 2.753 31.438 1.00 0.00 H ATOM 813 HH12 ARG A 93 91.333 -1.035 30.654 1.00 0.00 H ATOM 814 HH11 ARG A 93 92.991 -0.782 31.310 1.00 0.00 H ATOM 815 HH22 ARG A 93 89.978 0.774 30.232 1.00 0.00 H ATOM 816 HH21 ARG A 93 90.574 2.443 30.556 1.00 0.00 H ATOM 817 H ARG A 93 98.058 1.679 29.436 1.00 0.00 H ATOM 818 N VAL A 94 97.312 2.185 26.651 1.00 17.48 N ATOM 819 CA VAL A 94 97.539 2.953 25.434 1.00 14.49 C ATOM 820 C VAL A 94 97.810 1.989 24.286 1.00 18.80 C ATOM 821 O VAL A 94 98.671 1.106 24.400 1.00 14.10 O ATOM 822 CB VAL A 94 98.733 3.906 25.595 1.00 14.40 C ATOM 823 CG1 VAL A 94 99.000 4.673 24.300 1.00 15.41 C ATOM 824 CG2 VAL A 94 98.503 4.843 26.767 1.00 15.95 C ATOM 825 H VAL A 94 98.060 1.530 26.957 1.00 0.00 H ATOM 826 N TYR A 95 97.110 2.184 23.168 1.00 14.46 N ATOM 827 CA TYR A 95 97.516 1.637 21.885 1.00 14.50 C ATOM 828 C TYR A 95 97.931 2.775 20.961 1.00 14.57 C ATOM 829 O TYR A 95 97.268 3.822 20.915 1.00 15.10 O ATOM 830 CB TYR A 95 96.368 0.851 21.236 1.00 14.98 C ATOM 831 CG TYR A 95 96.057 -0.480 21.864 1.00 14.89 C ATOM 832 CD1 TYR A 95 97.064 -1.269 22.415 1.00 14.05 C ATOM 833 CD2 TYR A 95 94.777 -0.978 21.850 1.00 15.00 C ATOM 834 CE1 TYR A 95 96.771 -2.500 22.959 1.00 15.42 C ATOM 835 CE2 TYR A 95 94.479 -2.219 22.397 1.00 20.04 C ATOM 836 CZ TYR A 95 95.483 -2.968 22.953 1.00 18.95 C ATOM 837 OH TYR A 95 95.184 -4.205 23.500 1.00 20.46 O ATOM 838 HH TYR A 95 94.800 -4.790 22.800 1.00 0.00 H ATOM 839 H TYR A 95 96.239 2.750 23.216 1.00 0.00 H ATOM 840 N ILE A 96 99.039 2.577 20.246 1.00 14.16 N ATOM 841 CA ILE A 96 99.507 3.505 19.211 1.00 15.50 C ATOM 842 C ILE A 96 99.678 2.732 17.910 1.00 17.48 C ATOM 843 O ILE A 96 100.517 1.820 17.832 1.00 16.03 O ATOM 844 CB ILE A 96 100.839 4.177 19.587 1.00 15.04 C ATOM 845 CG1 ILE A 96 100.776 4.763 21.015 1.00 14.73 C ATOM 846 CG2 ILE A 96 101.197 5.237 18.509 1.00 17.91 C ATOM 847 CD1 ILE A 96 102.144 5.078 21.600 1.00 15.66 C ATOM 848 H ILE A 96 99.600 1.721 20.432 1.00 0.00 H ATOM 849 N ASN A 97 98.889 3.087 16.886 1.00 14.72 N ATOM 850 CA ASN A 97 99.049 2.491 15.566 1.00 13.32 C ATOM 851 C ASN A 97 100.043 3.327 14.764 1.00 12.94 C ATOM 852 O ASN A 97 99.870 4.547 14.617 1.00 16.01 O ATOM 853 CB ASN A 97 97.728 2.383 14.800 1.00 12.22 C ATOM 854 CG ASN A 97 96.799 1.306 15.361 1.00 22.50 C ATOM 855 OD1 ASN A 97 95.604 1.526 15.525 1.00 39.78 O ATOM 856 ND2 ASN A 97 97.349 0.149 15.659 1.00 25.90 N ATOM 857 HD22 ASN A 97 98.367 0.002 15.505 1.00 0.00 H ATOM 858 HD21 ASN A 97 96.766 -0.619 16.049 1.00 0.00 H ATOM 859 H ASN A 97 98.148 3.802 17.037 1.00 0.00 H ATOM 860 N TYR A 98 101.070 2.662 14.252 1.00 15.45 N ATOM 861 CA TYR A 98 102.135 3.285 13.483 1.00 16.80 C ATOM 862 C TYR A 98 101.893 3.028 11.994 1.00 15.68 C ATOM 863 O TYR A 98 101.608 1.893 11.582 1.00 15.65 O ATOM 864 CB TYR A 98 103.507 2.744 13.905 1.00 10.56 C ATOM 865 CG TYR A 98 103.879 3.156 15.306 1.00 13.22 C ATOM 866 CD1 TYR A 98 104.344 4.426 15.560 1.00 14.38 C ATOM 867 CD2 TYR A 98 103.724 2.297 16.369 1.00 14.45 C ATOM 868 CE1 TYR A 98 104.665 4.834 16.815 1.00 13.88 C ATOM 869 CE2 TYR A 98 104.026 2.702 17.665 1.00 17.13 C ATOM 870 CZ TYR A 98 104.508 3.972 17.885 1.00 16.49 C ATOM 871 OH TYR A 98 104.816 4.404 19.158 1.00 18.35 O ATOM 872 HH TYR A 98 105.518 3.821 19.542 1.00 0.00 H ATOM 873 H TYR A 98 101.116 1.635 14.410 1.00 0.00 H ATOM 874 N TYR A 99 102.030 4.072 11.179 1.00 13.94 N ATOM 875 CA TYR A 99 101.744 3.969 9.750 1.00 14.81 C ATOM 876 C TYR A 99 102.911 4.550 8.979 1.00 15.99 C ATOM 877 O TYR A 99 103.232 5.727 9.155 1.00 15.83 O ATOM 878 CB TYR A 99 100.468 4.729 9.375 1.00 18.58 C ATOM 879 CG TYR A 99 99.229 4.169 10.040 1.00 17.49 C ATOM 880 CD1 TYR A 99 98.603 3.026 9.554 1.00 17.93 C ATOM 881 CD2 TYR A 99 98.712 4.770 11.168 1.00 17.63 C ATOM 882 CE1 TYR A 99 97.483 2.498 10.197 1.00 20.45 C ATOM 883 CE2 TYR A 99 97.563 4.251 11.817 1.00 16.48 C ATOM 884 CZ TYR A 99 96.977 3.121 11.333 1.00 20.12 C ATOM 885 OH TYR A 99 95.878 2.631 11.979 1.00 22.14 O ATOM 886 HH TYR A 99 95.160 3.313 11.971 1.00 0.00 H ATOM 887 H TYR A 99 102.348 4.982 11.569 1.00 0.00 H ATOM 888 N ASP A 100 103.491 3.754 8.091 1.00 15.77 N ATOM 889 CA ASP A 100 104.557 4.208 7.193 1.00 13.76 C ATOM 890 C ASP A 100 103.893 4.594 5.887 1.00 14.12 C ATOM 891 O ASP A 100 103.501 3.728 5.103 1.00 19.04 O ATOM 892 CB ASP A 100 105.591 3.115 6.994 1.00 18.39 C ATOM 893 CG ASP A 100 106.730 3.549 6.118 1.00 28.49 C ATOM 894 OD1 ASP A 100 106.689 4.680 5.582 1.00 24.49 O ATOM 895 OD2 ASP A 100 107.667 2.742 5.971 1.00 26.10 O ATOM 896 H ASP A 100 103.176 2.765 8.029 1.00 0.00 H ATOM 897 N MET A 101 103.734 5.895 5.679 1.00 19.69 N ATOM 898 CA MET A 101 103.008 6.415 4.533 1.00 16.55 C ATOM 899 C MET A 101 103.959 6.624 3.363 1.00 17.42 C ATOM 900 O MET A 101 105.080 7.114 3.535 1.00 17.10 O ATOM 901 CB MET A 101 102.320 7.746 4.871 1.00 15.63 C ATOM 902 CG MET A 101 101.244 7.655 6.006 1.00 17.61 C ATOM 903 SD MET A 101 99.848 6.669 5.563 1.00 19.05 S ATOM 904 CE MET A 101 99.138 7.582 4.199 1.00 18.14 C ATOM 905 H MET A 101 104.143 6.566 6.360 1.00 0.00 H ATOM 906 N ASN A 102 103.506 6.231 2.178 1.00 17.10 N ATOM 907 CA ASN A 102 104.194 6.627 0.957 1.00 19.05 C ATOM 908 C ASN A 102 103.953 8.100 0.681 1.00 19.31 C ATOM 909 O ASN A 102 102.846 8.611 0.877 1.00 16.32 O ATOM 910 CB ASN A 102 103.715 5.792 -0.220 1.00 21.63 C ATOM 911 CG ASN A 102 104.110 4.338 -0.087 1.00 31.59 C ATOM 912 OD1 ASN A 102 105.069 4.001 0.625 1.00 43.04 O ATOM 913 ND2 ASN A 102 103.384 3.463 -0.777 1.00 45.90 N ATOM 914 HD22 ASN A 102 102.589 3.793 -1.361 1.00 0.00 H ATOM 915 HD21 ASN A 102 103.611 2.449 -0.733 1.00 0.00 H ATOM 916 H ASN A 102 102.654 5.637 2.122 1.00 0.00 H ATOM 917 N ALA A 103 105.007 8.780 0.203 1.00 21.79 N ATOM 918 CA ALA A 103 104.924 10.211 -0.079 1.00 17.71 C ATOM 919 C ALA A 103 103.810 10.531 -1.047 1.00 16.54 C ATOM 920 O ALA A 103 103.191 11.608 -0.958 1.00 16.08 O ATOM 921 CB ALA A 103 106.254 10.712 -0.648 1.00 16.75 C ATOM 922 H ALA A 103 105.901 8.278 0.030 1.00 0.00 H ATOM 923 N ALA A 104 103.536 9.617 -1.987 1.00 15.44 N ATOM 924 CA ALA A 104 102.474 9.833 -2.968 1.00 15.58 C ATOM 925 C ALA A 104 101.096 9.787 -2.347 1.00 17.98 C ATOM 926 O ALA A 104 100.135 10.238 -2.985 1.00 17.67 O ATOM 927 CB ALA A 104 102.515 8.782 -4.091 1.00 20.70 C ATOM 928 H ALA A 104 104.089 8.737 -2.020 1.00 0.00 H ATOM 929 N ASN A 105 100.983 9.245 -1.131 1.00 16.44 N ATOM 930 CA ASN A 105 99.709 9.079 -0.456 1.00 14.51 C ATOM 931 C ASN A 105 99.538 10.072 0.689 1.00 15.45 C ATOM 932 O ASN A 105 98.683 9.866 1.558 1.00 15.65 O ATOM 933 CB ASN A 105 99.581 7.650 0.061 1.00 12.87 C ATOM 934 CG ASN A 105 99.423 6.631 -1.066 1.00 26.23 C ATOM 935 OD1 ASN A 105 98.992 6.972 -2.155 1.00 23.73 O ATOM 936 ND2 ASN A 105 99.769 5.375 -0.798 1.00 27.51 N ATOM 937 HD22 ASN A 105 100.132 5.125 0.144 1.00 0.00 H ATOM 938 HD21 ASN A 105 99.676 4.642 -1.530 1.00 0.00 H ATOM 939 H ASN A 105 101.847 8.928 -0.646 1.00 0.00 H ATOM 940 N VAL A 106 100.339 11.138 0.714 1.00 15.20 N ATOM 941 CA VAL A 106 100.145 12.235 1.661 1.00 14.65 C ATOM 942 C VAL A 106 99.965 13.531 0.892 1.00 16.74 C ATOM 943 O VAL A 106 100.907 14.030 0.262 1.00 15.10 O ATOM 944 CB VAL A 106 101.300 12.370 2.657 1.00 16.26 C ATOM 945 CG1 VAL A 106 100.994 13.507 3.640 1.00 17.95 C ATOM 946 CG2 VAL A 106 101.510 11.035 3.387 1.00 20.27 C ATOM 947 H VAL A 106 101.127 11.191 0.038 1.00 0.00 H ATOM 948 N GLY A 107 98.767 14.105 0.992 1.00 15.62 N ATOM 949 CA GLY A 107 98.484 15.396 0.399 1.00 13.79 C ATOM 950 C GLY A 107 98.833 16.561 1.312 1.00 14.89 C ATOM 951 O GLY A 107 98.704 16.482 2.532 1.00 15.02 O ATOM 952 H GLY A 107 98.013 13.612 1.511 1.00 0.00 H ATOM 953 N TRP A 108 99.293 17.646 0.687 1.00 13.71 N ATOM 954 CA TRP A 108 99.657 18.877 1.384 1.00 13.64 C ATOM 955 C TRP A 108 99.706 19.983 0.345 1.00 16.28 C ATOM 956 O TRP A 108 100.251 19.779 -0.730 1.00 14.61 O ATOM 957 CB TRP A 108 101.010 18.769 2.101 1.00 12.17 C ATOM 958 CG TRP A 108 101.482 20.029 2.642 1.00 14.63 C ATOM 959 CD1 TRP A 108 100.953 20.698 3.705 1.00 13.91 C ATOM 960 CD2 TRP A 108 102.561 20.837 2.157 1.00 14.72 C ATOM 961 NE1 TRP A 108 101.657 21.844 3.941 1.00 13.30 N ATOM 962 CE2 TRP A 108 102.637 21.963 2.998 1.00 14.60 C ATOM 963 CE3 TRP A 108 103.474 20.717 1.097 1.00 19.63 C ATOM 964 CZ2 TRP A 108 103.584 22.974 2.816 1.00 20.05 C ATOM 965 CZ3 TRP A 108 104.420 21.728 0.920 1.00 17.52 C ATOM 966 CH2 TRP A 108 104.477 22.822 1.787 1.00 18.85 C ATOM 967 HE1 TRP A 108 101.476 22.517 4.713 1.00 0.00 H ATOM 968 H TRP A 108 99.398 17.614 -0.347 1.00 0.00 H ATOM 969 N ASN A 109 99.145 21.134 0.668 1.00 16.90 N ATOM 970 CA ASN A 109 99.333 22.339 -0.157 1.00 17.86 C ATOM 971 C ASN A 109 99.034 22.081 -1.645 1.00 18.43 C ATOM 972 O ASN A 109 99.859 22.331 -2.519 1.00 15.09 O ATOM 973 CB ASN A 109 100.763 22.853 0.015 1.00 16.43 C ATOM 974 CG ASN A 109 100.932 24.287 -0.423 1.00 19.04 C ATOM 975 OD1 ASN A 109 99.964 25.012 -0.630 1.00 16.25 O ATOM 976 ND2 ASN A 109 102.175 24.722 -0.512 1.00 28.52 N ATOM 977 HD22 ASN A 109 102.967 24.074 -0.328 1.00 0.00 H ATOM 978 HD21 ASN A 109 102.362 25.713 -0.766 1.00 0.00 H ATOM 979 H ASN A 109 98.557 21.191 1.524 1.00 0.00 H ATOM 980 N ASN A 110 97.857 21.528 -1.924 1.00 13.60 N ATOM 981 CA ASN A 110 97.320 21.329 -3.271 1.00 18.77 C ATOM 982 C ASN A 110 97.995 20.214 -4.057 1.00 18.71 C ATOM 983 O ASN A 110 97.678 20.024 -5.237 1.00 18.59 O ATOM 984 CB ASN A 110 97.390 22.623 -4.088 1.00 19.61 C ATOM 985 CG ASN A 110 96.584 23.734 -3.460 1.00 20.20 C ATOM 986 OD1 ASN A 110 95.493 23.501 -2.960 1.00 21.28 O ATOM 987 ND2 ASN A 110 97.106 24.948 -3.498 1.00 28.32 N ATOM 988 HD22 ASN A 110 98.038 25.100 -3.934 1.00 0.00 H ATOM 989 HD21 ASN A 110 96.585 25.751 -3.092 1.00 0.00 H ATOM 990 H ASN A 110 97.273 21.213 -1.123 1.00 0.00 H ATOM 991 N SER A 111 98.908 19.461 -3.451 1.00 15.49 N ATOM 992 CA SER A 111 99.571 18.396 -4.167 1.00 18.14 C ATOM 993 C SER A 111 99.855 17.285 -3.168 1.00 17.52 C ATOM 994 O SER A 111 99.161 17.153 -2.156 1.00 18.21 O ATOM 995 CB SER A 111 100.845 18.929 -4.857 1.00 19.69 C ATOM 996 OG SER A 111 101.329 17.941 -5.721 1.00 15.68 O ATOM 997 HG SER A 111 100.639 17.731 -6.400 1.00 0.00 H ATOM 998 H SER A 111 99.146 19.640 -2.455 1.00 0.00 H ATOM 999 N THR A 112 100.852 16.464 -3.462 1.00 17.74 N ATOM 1000 CA THR A 112 101.360 15.492 -2.508 1.00 16.66 C ATOM 1001 C THR A 112 102.869 15.698 -2.345 1.00 19.56 C ATOM 1002 O THR A 112 103.495 16.557 -2.989 1.00 16.07 O ATOM 1003 CB THR A 112 101.092 14.068 -2.978 1.00 18.29 C ATOM 1004 OG1 THR A 112 101.930 13.819 -4.108 1.00 17.48 O ATOM 1005 CG2 THR A 112 99.621 13.838 -3.355 1.00 19.16 C ATOM 1006 HG1 THR A 112 101.776 12.897 -4.435 1.00 0.00 H ATOM 1007 H THR A 112 101.285 16.517 -4.406 1.00 0.00 H ATOM 1008 N PHE A 113 103.458 14.886 -1.480 1.00 17.69 N ATOM 1009 CA PHE A 113 104.884 14.933 -1.209 1.00 15.71 C ATOM 1010 C PHE A 113 105.708 14.107 -2.199 1.00 18.33 C ATOM 1011 O PHE A 113 106.936 14.095 -2.103 1.00 18.22 O ATOM 1012 CB PHE A 113 105.144 14.464 0.218 1.00 15.94 C ATOM 1013 CG PHE A 113 104.814 15.504 1.269 1.00 16.54 C ATOM 1014 CD1 PHE A 113 105.504 16.702 1.306 1.00 18.58 C ATOM 1015 CD2 PHE A 113 103.828 15.273 2.224 1.00 16.31 C ATOM 1016 CE1 PHE A 113 105.225 17.668 2.280 1.00 21.09 C ATOM 1017 CE2 PHE A 113 103.570 16.221 3.211 1.00 15.85 C ATOM 1018 CZ PHE A 113 104.262 17.427 3.222 1.00 15.41 C ATOM 1019 H PHE A 113 102.876 14.187 -0.975 1.00 0.00 H ATOM 1020 N ALA A 114 105.076 13.434 -3.147 1.00 14.79 N ATOM 1021 CA ALA A 114 105.817 12.562 -4.071 1.00 22.35 C ATOM 1022 C ALA A 114 106.733 13.402 -4.928 1.00 27.00 C ATOM 1023 O ALA A 114 107.834 12.938 -5.241 1.00 22.12 O ATOM 1024 CB ALA A 114 104.879 11.737 -4.945 1.00 18.61 C ATOM 1025 OXT ALA A 114 106.384 14.535 -5.276 1.00 20.37 O ATOM 1026 H ALA A 114 104.044 13.523 -3.240 1.00 0.00 H TER 1027 ALA A 114 ATOM 1028 N PRO B 1 92.574 -6.300 19.621 1.00 29.87 N ATOM 1029 CA PRO B 1 92.012 -5.516 18.516 1.00 30.08 C ATOM 1030 C PRO B 1 91.284 -4.271 18.980 1.00 29.46 C ATOM 1031 O PRO B 1 90.945 -4.118 20.162 1.00 27.16 O ATOM 1032 CB PRO B 1 91.035 -6.483 17.843 1.00 26.33 C ATOM 1033 CG PRO B 1 90.776 -7.551 18.862 1.00 30.79 C ATOM 1034 CD PRO B 1 92.075 -7.682 19.604 1.00 31.30 C ATOM 1035 HN2 PRO B 1 92.308 -5.855 20.522 1.00 0.00 H ATOM 1036 HN1 PRO B 1 93.610 -6.313 19.535 1.00 0.00 H ATOM 1037 N MET B 2 91.021 -3.395 18.018 1.00 19.03 N ATOM 1038 CA MET B 2 90.472 -2.083 18.284 1.00 17.01 C ATOM 1039 C MET B 2 89.332 -1.841 17.316 1.00 16.30 C ATOM 1040 O MET B 2 89.523 -1.962 16.105 1.00 16.57 O ATOM 1041 CB MET B 2 91.571 -1.038 18.103 1.00 22.18 C ATOM 1042 CG MET B 2 91.154 0.375 18.269 1.00 26.06 C ATOM 1043 SD MET B 2 92.574 1.463 17.956 1.00 25.41 S ATOM 1044 CE MET B 2 92.704 1.367 16.191 1.00 30.16 C ATOM 1045 H MET B 2 91.218 -3.663 17.032 1.00 0.00 H ATOM 1046 N PHE B 3 88.163 -1.474 17.854 1.00 17.75 N ATOM 1047 CA PHE B 3 86.975 -1.187 17.068 1.00 16.14 C ATOM 1048 C PHE B 3 86.503 0.221 17.376 1.00 15.03 C ATOM 1049 O PHE B 3 86.281 0.566 18.542 1.00 16.85 O ATOM 1050 CB PHE B 3 85.853 -2.177 17.359 1.00 17.31 C ATOM 1051 CG PHE B 3 84.618 -1.906 16.584 1.00 17.23 C ATOM 1052 CD1 PHE B 3 84.622 -2.009 15.199 1.00 22.36 C ATOM 1053 CD2 PHE B 3 83.449 -1.547 17.227 1.00 24.47 C ATOM 1054 CE1 PHE B 3 83.466 -1.754 14.471 1.00 18.77 C ATOM 1055 CE2 PHE B 3 82.307 -1.326 16.509 1.00 28.33 C ATOM 1056 CZ PHE B 3 82.318 -1.416 15.130 1.00 22.47 C ATOM 1057 H PHE B 3 88.102 -1.390 18.889 1.00 0.00 H ATOM 1058 N ILE B 4 86.336 1.015 16.320 1.00 15.27 N ATOM 1059 CA ILE B 4 85.916 2.405 16.403 1.00 11.85 C ATOM 1060 C ILE B 4 84.664 2.572 15.558 1.00 14.62 C ATOM 1061 O ILE B 4 84.641 2.150 14.398 1.00 14.94 O ATOM 1062 CB ILE B 4 87.005 3.369 15.898 1.00 18.31 C ATOM 1063 CG1 ILE B 4 88.338 3.113 16.628 1.00 16.37 C ATOM 1064 CG2 ILE B 4 86.595 4.806 16.133 1.00 17.92 C ATOM 1065 CD1 ILE B 4 89.495 3.703 15.869 1.00 21.96 C ATOM 1066 H ILE B 4 86.517 0.616 15.377 1.00 0.00 H ATOM 1067 N VAL B 5 83.662 3.226 16.143 1.00 15.80 N ATOM 1068 CA VAL B 5 82.412 3.613 15.491 1.00 16.69 C ATOM 1069 C VAL B 5 82.304 5.137 15.492 1.00 15.97 C ATOM 1070 O VAL B 5 82.409 5.768 16.549 1.00 14.19 O ATOM 1071 CB VAL B 5 81.192 3.010 16.216 1.00 15.20 C ATOM 1072 CG1 VAL B 5 79.881 3.408 15.532 1.00 17.18 C ATOM 1073 CG2 VAL B 5 81.303 1.510 16.293 1.00 15.88 C ATOM 1074 H VAL B 5 83.778 3.482 17.144 1.00 0.00 H ATOM 1075 N ASN B 6 82.052 5.718 14.314 1.00 16.14 N ATOM 1076 CA ASN B 6 81.737 7.137 14.158 1.00 16.60 C ATOM 1077 C ASN B 6 80.339 7.240 13.549 1.00 18.72 C ATOM 1078 O ASN B 6 80.099 6.694 12.467 1.00 17.14 O ATOM 1079 CB ASN B 6 82.779 7.824 13.267 1.00 13.99 C ATOM 1080 CG ASN B 6 84.221 7.623 13.763 1.00 17.79 C ATOM 1081 OD1 ASN B 6 84.713 8.392 14.601 1.00 14.61 O ATOM 1082 ND2 ASN B 6 84.911 6.614 13.217 1.00 17.97 N ATOM 1083 HD22 ASN B 6 84.458 5.993 12.517 1.00 0.00 H ATOM 1084 HD21 ASN B 6 85.900 6.451 13.493 1.00 0.00 H ATOM 1085 H ASN B 6 82.082 5.126 13.459 1.00 0.00 H ATOM 1086 N THR B 7 79.416 7.918 14.241 1.00 17.82 N ATOM 1087 CA THR B 7 78.018 7.885 13.812 1.00 18.66 C ATOM 1088 C THR B 7 77.317 9.208 14.084 1.00 15.88 C ATOM 1089 O THR B 7 77.674 9.953 15.004 1.00 17.65 O ATOM 1090 CB THR B 7 77.266 6.733 14.499 1.00 19.11 C ATOM 1091 OG1 THR B 7 75.891 6.732 14.077 1.00 20.21 O ATOM 1092 CG2 THR B 7 77.327 6.836 16.027 1.00 17.85 C ATOM 1093 HG1 THR B 7 75.848 6.613 13.095 1.00 0.00 H ATOM 1094 H THR B 7 79.692 8.466 15.081 1.00 0.00 H ATOM 1095 N ASN B 8 76.311 9.501 13.247 1.00 17.98 N ATOM 1096 CA ASN B 8 75.494 10.685 13.465 1.00 21.33 C ATOM 1097 C ASN B 8 74.364 10.429 14.458 1.00 22.45 C ATOM 1098 O ASN B 8 73.679 11.376 14.848 1.00 22.82 O ATOM 1099 CB ASN B 8 74.931 11.217 12.126 1.00 17.98 C ATOM 1100 CG ASN B 8 74.205 10.160 11.291 1.00 18.97 C ATOM 1101 OD1 ASN B 8 74.301 8.955 11.524 1.00 21.34 O ATOM 1102 ND2 ASN B 8 73.481 10.630 10.265 1.00 21.13 N ATOM 1103 HD22 ASN B 8 73.421 11.655 10.097 1.00 0.00 H ATOM 1104 HD21 ASN B 8 72.979 9.970 9.637 1.00 0.00 H ATOM 1105 H ASN B 8 76.114 8.878 12.438 1.00 0.00 H ATOM 1106 N VAL B 9 74.181 9.184 14.895 1.00 23.09 N ATOM 1107 CA VAL B 9 73.195 8.874 15.942 1.00 25.50 C ATOM 1108 C VAL B 9 73.525 9.677 17.194 1.00 25.06 C ATOM 1109 O VAL B 9 74.709 9.788 17.561 1.00 22.75 O ATOM 1110 CB VAL B 9 73.184 7.362 16.236 1.00 26.96 C ATOM 1111 CG1 VAL B 9 72.405 7.031 17.487 1.00 29.44 C ATOM 1112 CG2 VAL B 9 72.627 6.616 15.032 1.00 28.01 C ATOM 1113 H VAL B 9 74.748 8.414 14.487 1.00 0.00 H ATOM 1114 N PRO B 10 72.545 10.264 17.883 1.00 25.37 N ATOM 1115 CA PRO B 10 72.858 11.088 19.055 1.00 23.80 C ATOM 1116 C PRO B 10 73.292 10.267 20.261 1.00 18.71 C ATOM 1117 O PRO B 10 72.959 9.091 20.414 1.00 23.85 O ATOM 1118 CB PRO B 10 71.544 11.833 19.333 1.00 31.74 C ATOM 1119 CG PRO B 10 70.493 10.981 18.731 1.00 31.16 C ATOM 1120 CD PRO B 10 71.102 10.280 17.563 1.00 31.45 C ATOM 1121 N ARG B 11 74.049 10.932 21.135 1.00 24.45 N ATOM 1122 CA ARG B 11 74.619 10.272 22.311 1.00 22.53 C ATOM 1123 C ARG B 11 73.546 9.552 23.123 1.00 26.56 C ATOM 1124 O ARG B 11 73.743 8.414 23.562 1.00 25.02 O ATOM 1125 CB ARG B 11 75.336 11.300 23.175 1.00 29.16 C ATOM 1126 CG ARG B 11 75.949 10.727 24.450 1.00 36.21 C ATOM 1127 H ARG B 11 74.239 11.942 20.977 1.00 0.00 H ATOM 1128 N ALA B 12 72.391 10.200 23.309 1.00 26.71 N ATOM 1129 CA ALA B 12 71.303 9.619 24.088 1.00 33.30 C ATOM 1130 C ALA B 12 70.813 8.296 23.516 1.00 26.40 C ATOM 1131 O ALA B 12 70.234 7.488 24.247 1.00 28.15 O ATOM 1132 CB ALA B 12 70.135 10.608 24.162 1.00 31.35 C ATOM 1133 H ALA B 12 72.265 11.142 22.887 1.00 0.00 H ATOM 1134 N SER B 13 70.987 8.064 22.221 1.00 25.36 N ATOM 1135 CA SER B 13 70.518 6.829 21.617 1.00 31.08 C ATOM 1136 C SER B 13 71.532 5.694 21.703 1.00 26.83 C ATOM 1137 O SER B 13 71.274 4.618 21.163 1.00 26.73 O ATOM 1138 CB SER B 13 70.135 7.070 20.161 1.00 29.91 C ATOM 1139 OG SER B 13 69.036 7.960 20.091 1.00 38.56 O ATOM 1140 HG SER B 13 68.795 8.110 19.143 1.00 0.00 H ATOM 1141 H SER B 13 71.465 8.775 21.631 1.00 0.00 H ATOM 1142 N VAL B 14 72.668 5.892 22.369 1.00 26.09 N ATOM 1143 CA VAL B 14 73.644 4.831 22.580 1.00 26.66 C ATOM 1144 C VAL B 14 73.305 4.149 23.906 1.00 24.13 C ATOM 1145 O VAL B 14 73.488 4.770 24.964 1.00 26.01 O ATOM 1146 CB VAL B 14 75.081 5.372 22.578 1.00 26.81 C ATOM 1147 CG1 VAL B 14 76.095 4.243 22.735 1.00 28.35 C ATOM 1148 CG2 VAL B 14 75.341 6.129 21.287 1.00 28.54 C ATOM 1149 H VAL B 14 72.866 6.838 22.752 1.00 0.00 H ATOM 1150 N PRO B 15 72.875 2.883 23.908 1.00 27.49 N ATOM 1151 CA PRO B 15 72.510 2.231 25.179 1.00 28.61 C ATOM 1152 C PRO B 15 73.681 2.178 26.153 1.00 35.41 C ATOM 1153 O PRO B 15 74.840 2.054 25.754 1.00 29.92 O ATOM 1154 CB PRO B 15 72.095 0.819 24.755 1.00 26.73 C ATOM 1155 CG PRO B 15 71.945 0.845 23.294 1.00 31.26 C ATOM 1156 CD PRO B 15 72.801 1.950 22.774 1.00 27.01 C ATOM 1157 N ASP B 16 73.373 2.186 27.454 1.00 34.40 N ATOM 1158 CA ASP B 16 74.434 2.276 28.461 1.00 29.13 C ATOM 1159 C ASP B 16 75.402 1.092 28.415 1.00 25.30 C ATOM 1160 O ASP B 16 76.593 1.253 28.721 1.00 23.51 O ATOM 1161 CB ASP B 16 73.823 2.398 29.859 1.00 32.54 C ATOM 1162 CG ASP B 16 73.086 3.707 30.055 1.00 32.94 C ATOM 1163 H ASP B 16 72.378 2.128 27.752 1.00 0.00 H ATOM 1164 N GLY B 17 74.924 -0.096 28.051 1.00 26.07 N ATOM 1165 CA GLY B 17 75.763 -1.279 28.032 1.00 29.21 C ATOM 1166 C GLY B 17 76.481 -1.534 26.725 1.00 27.22 C ATOM 1167 O GLY B 17 77.057 -2.612 26.535 1.00 23.99 O ATOM 1168 H GLY B 17 73.925 -0.178 27.774 1.00 0.00 H ATOM 1169 N PHE B 18 76.478 -0.555 25.823 1.00 23.69 N ATOM 1170 CA PHE B 18 76.917 -0.789 24.450 1.00 25.48 C ATOM 1171 C PHE B 18 78.416 -1.077 24.378 1.00 19.90 C ATOM 1172 O PHE B 18 78.840 -2.016 23.699 1.00 21.13 O ATOM 1173 CB PHE B 18 76.546 0.398 23.553 1.00 24.43 C ATOM 1174 CG PHE B 18 76.694 0.111 22.073 1.00 26.41 C ATOM 1175 CD1 PHE B 18 76.114 -0.999 21.510 1.00 20.09 C ATOM 1176 CD2 PHE B 18 77.411 0.962 21.249 1.00 23.60 C ATOM 1177 CE1 PHE B 18 76.236 -1.254 20.160 1.00 26.08 C ATOM 1178 CE2 PHE B 18 77.527 0.716 19.895 1.00 24.70 C ATOM 1179 CZ PHE B 18 76.944 -0.392 19.350 1.00 27.63 C ATOM 1180 H PHE B 18 76.157 0.394 26.101 1.00 0.00 H ATOM 1181 N LEU B 19 79.237 -0.297 25.079 1.00 21.73 N ATOM 1182 CA LEU B 19 80.671 -0.573 25.031 1.00 24.47 C ATOM 1183 C LEU B 19 80.978 -1.977 25.548 1.00 20.75 C ATOM 1184 O LEU B 19 81.818 -2.685 24.983 1.00 19.74 O ATOM 1185 CB LEU B 19 81.458 0.472 25.831 1.00 29.08 C ATOM 1186 CG LEU B 19 81.509 1.937 25.349 1.00 29.11 C ATOM 1187 CD1 LEU B 19 82.429 2.776 26.227 1.00 28.70 C ATOM 1188 CD2 LEU B 19 81.986 2.039 23.932 1.00 23.72 C ATOM 1189 H LEU B 19 78.866 0.491 25.648 1.00 0.00 H ATOM 1190 N SER B 20 80.335 -2.391 26.641 1.00 21.91 N ATOM 1191 CA SER B 20 80.599 -3.731 27.172 1.00 23.52 C ATOM 1192 C SER B 20 80.124 -4.804 26.208 1.00 18.54 C ATOM 1193 O SER B 20 80.769 -5.854 26.064 1.00 20.33 O ATOM 1194 CB SER B 20 79.922 -3.926 28.534 1.00 28.72 C ATOM 1195 OG SER B 20 80.456 -3.036 29.472 1.00 27.91 O ATOM 1196 HG SER B 20 80.306 -2.107 29.166 1.00 0.00 H ATOM 1197 H SER B 20 79.651 -1.767 27.113 1.00 0.00 H ATOM 1198 N GLU B 21 78.985 -4.571 25.558 1.00 22.60 N ATOM 1199 CA GLU B 21 78.490 -5.544 24.605 1.00 24.35 C ATOM 1200 C GLU B 21 79.442 -5.668 23.430 1.00 21.35 C ATOM 1201 O GLU B 21 79.745 -6.776 22.987 1.00 21.73 O ATOM 1202 CB GLU B 21 77.092 -5.164 24.119 1.00 21.20 C ATOM 1203 CG GLU B 21 76.514 -6.189 23.137 1.00 26.33 C ATOM 1204 CD GLU B 21 75.058 -5.942 22.779 1.00 28.87 C ATOM 1205 OE1 GLU B 21 74.644 -4.773 22.637 1.00 28.34 O ATOM 1206 OE2 GLU B 21 74.330 -6.940 22.634 1.00 35.36 O ATOM 1207 H GLU B 21 78.453 -3.695 25.734 1.00 0.00 H ATOM 1208 N LEU B 22 79.957 -4.544 22.938 1.00 20.27 N ATOM 1209 CA LEU B 22 80.944 -4.616 21.861 1.00 20.44 C ATOM 1210 C LEU B 22 82.165 -5.393 22.302 1.00 14.79 C ATOM 1211 O LEU B 22 82.662 -6.245 21.558 1.00 20.42 O ATOM 1212 CB LEU B 22 81.356 -3.212 21.396 1.00 19.73 C ATOM 1213 CG LEU B 22 80.281 -2.440 20.622 1.00 29.23 C ATOM 1214 CD1 LEU B 22 80.750 -1.022 20.359 1.00 24.68 C ATOM 1215 CD2 LEU B 22 79.930 -3.135 19.318 1.00 25.47 C ATOM 1216 H LEU B 22 79.660 -3.622 23.316 1.00 0.00 H ATOM 1217 N THR B 23 82.636 -5.131 23.519 1.00 18.48 N ATOM 1218 CA THR B 23 83.835 -5.791 24.009 1.00 17.10 C ATOM 1219 C THR B 23 83.625 -7.301 24.066 1.00 19.78 C ATOM 1220 O THR B 23 84.482 -8.077 23.641 1.00 21.67 O ATOM 1221 CB THR B 23 84.210 -5.248 25.389 1.00 20.01 C ATOM 1222 OG1 THR B 23 84.587 -3.858 25.324 1.00 19.36 O ATOM 1223 CG2 THR B 23 85.374 -6.055 25.966 1.00 18.29 C ATOM 1224 HG1 THR B 23 83.828 -3.328 24.973 1.00 0.00 H ATOM 1225 H THR B 23 82.141 -4.447 24.126 1.00 0.00 H ATOM 1226 N GLN B 24 82.481 -7.732 24.598 1.00 22.87 N ATOM 1227 CA GLN B 24 82.234 -9.166 24.767 1.00 21.63 C ATOM 1228 C GLN B 24 82.022 -9.848 23.421 1.00 20.35 C ATOM 1229 O GLN B 24 82.582 -10.926 23.162 1.00 25.25 O ATOM 1230 CB GLN B 24 81.026 -9.378 25.689 1.00 24.60 C ATOM 1231 CG GLN B 24 80.662 -10.868 25.972 1.00 44.70 C ATOM 1232 CD GLN B 24 79.831 -11.517 24.850 1.00 54.53 C ATOM 1233 OE1 GLN B 24 78.982 -10.871 24.231 1.00 48.33 O ATOM 1234 NE2 GLN B 24 80.080 -12.798 24.593 1.00 53.75 N ATOM 1235 HE22 GLN B 24 80.805 -13.307 25.139 1.00 0.00 H ATOM 1236 HE21 GLN B 24 79.550 -13.291 23.846 1.00 0.00 H ATOM 1237 H GLN B 24 81.759 -7.045 24.895 1.00 0.00 H ATOM 1238 N GLN B 25 81.242 -9.223 22.535 1.00 22.28 N ATOM 1239 CA GLN B 25 80.982 -9.826 21.230 1.00 25.29 C ATOM 1240 C GLN B 25 82.245 -9.912 20.393 1.00 25.11 C ATOM 1241 O GLN B 25 82.451 -10.894 19.668 1.00 22.97 O ATOM 1242 CB GLN B 25 79.913 -9.023 20.496 1.00 25.93 C ATOM 1243 CG GLN B 25 78.527 -9.201 21.082 1.00 29.24 C ATOM 1244 CD GLN B 25 77.968 -10.582 20.809 1.00 36.23 C ATOM 1245 OE1 GLN B 25 77.902 -11.018 19.664 1.00 36.05 O ATOM 1246 NE2 GLN B 25 77.577 -11.280 21.861 1.00 39.24 N ATOM 1247 HE22 GLN B 25 77.651 -10.870 22.814 1.00 0.00 H ATOM 1248 HE21 GLN B 25 77.195 -12.239 21.736 1.00 0.00 H ATOM 1249 H GLN B 25 80.818 -8.304 22.775 1.00 0.00 H ATOM 1250 N LEU B 26 83.093 -8.875 20.452 1.00 23.91 N ATOM 1251 CA LEU B 26 84.352 -8.914 19.721 1.00 22.40 C ATOM 1252 C LEU B 26 85.315 -9.931 20.312 1.00 25.20 C ATOM 1253 O LEU B 26 86.095 -10.553 19.576 1.00 26.95 O ATOM 1254 CB LEU B 26 84.996 -7.524 19.689 1.00 20.78 C ATOM 1255 CG LEU B 26 84.316 -6.604 18.702 1.00 21.71 C ATOM 1256 CD1 LEU B 26 84.666 -5.152 18.975 1.00 25.82 C ATOM 1257 CD2 LEU B 26 84.733 -7.010 17.273 1.00 22.07 C ATOM 1258 H LEU B 26 82.851 -8.040 21.022 1.00 0.00 H ATOM 1259 N ALA B 27 85.296 -10.120 21.629 1.00 22.51 N ATOM 1260 CA ALA B 27 86.162 -11.146 22.199 1.00 28.42 C ATOM 1261 C ALA B 27 85.737 -12.520 21.705 1.00 27.47 C ATOM 1262 O ALA B 27 86.577 -13.340 21.312 1.00 32.51 O ATOM 1263 CB ALA B 27 86.141 -11.077 23.732 1.00 26.25 C ATOM 1264 H ALA B 27 84.677 -9.548 22.239 1.00 0.00 H ATOM 1265 N GLN B 28 84.434 -12.774 21.703 1.00 29.83 N ATOM 1266 CA GLN B 28 83.898 -14.017 21.156 1.00 35.05 C ATOM 1267 C GLN B 28 84.315 -14.185 19.698 1.00 37.57 C ATOM 1268 O GLN B 28 84.900 -15.206 19.312 1.00 33.11 O ATOM 1269 CB GLN B 28 82.373 -14.005 21.315 1.00 40.53 C ATOM 1270 CG GLN B 28 81.621 -15.327 21.065 1.00 44.33 C ATOM 1271 CD GLN B 28 80.221 -15.318 21.680 1.00 37.79 C ATOM 1272 H GLN B 28 83.779 -12.071 22.101 1.00 0.00 H ATOM 1273 N ALA B 29 84.098 -13.147 18.891 1.00 38.30 N ATOM 1274 CA ALA B 29 84.275 -13.252 17.443 1.00 37.64 C ATOM 1275 C ALA B 29 85.741 -13.319 17.013 1.00 39.12 C ATOM 1276 O ALA B 29 86.056 -13.962 16.005 1.00 33.32 O ATOM 1277 CB ALA B 29 83.596 -12.070 16.768 1.00 32.26 C ATOM 1278 H ALA B 29 83.795 -12.240 19.301 1.00 0.00 H ATOM 1279 N THR B 30 86.649 -12.651 17.717 1.00 32.53 N ATOM 1280 CA THR B 30 88.049 -12.658 17.314 1.00 32.96 C ATOM 1281 C THR B 30 88.867 -13.748 18.007 1.00 37.79 C ATOM 1282 O THR B 30 90.046 -13.905 17.680 1.00 38.38 O ATOM 1283 CB THR B 30 88.712 -11.297 17.581 1.00 43.59 C ATOM 1284 OG1 THR B 30 88.883 -11.092 18.993 1.00 31.18 O ATOM 1285 CG2 THR B 30 87.886 -10.160 16.981 1.00 37.29 C ATOM 1286 HG1 THR B 30 87.999 -11.114 19.438 1.00 0.00 H ATOM 1287 H THR B 30 86.358 -12.119 18.562 1.00 0.00 H ATOM 1288 N GLY B 31 88.274 -14.498 18.941 1.00 35.06 N ATOM 1289 CA GLY B 31 89.005 -15.458 19.744 1.00 36.72 C ATOM 1290 C GLY B 31 90.043 -14.867 20.672 1.00 37.31 C ATOM 1291 O GLY B 31 90.923 -15.593 21.125 1.00 35.66 O ATOM 1292 H GLY B 31 87.252 -14.389 19.097 1.00 0.00 H ATOM 1293 N LYS B 32 89.955 -13.542 20.991 1.00 29.21 N ATOM 1294 CA LYS B 32 90.927 -12.875 21.841 1.00 27.39 C ATOM 1295 C LYS B 32 90.353 -12.662 23.240 1.00 23.87 C ATOM 1296 O LYS B 32 89.143 -12.445 23.396 1.00 24.28 O ATOM 1297 CB LYS B 32 91.330 -11.504 21.271 1.00 34.96 C ATOM 1298 CG LYS B 32 92.459 -11.510 20.252 1.00 47.55 C ATOM 1299 CD LYS B 32 92.048 -12.157 18.968 1.00 43.85 C ATOM 1300 CE LYS B 32 93.173 -12.095 17.948 1.00 36.04 C ATOM 1301 NZ LYS B 32 93.407 -10.721 17.470 1.00 43.30 N ATOM 1302 HZ1 LYS B 32 92.541 -10.359 17.023 1.00 0.00 H ATOM 1303 HZ2 LYS B 32 93.663 -10.114 18.275 1.00 0.00 H ATOM 1304 HZ3 LYS B 32 94.182 -10.724 16.776 1.00 0.00 H ATOM 1305 H LYS B 32 89.161 -12.988 20.611 1.00 0.00 H ATOM 1306 N PRO B 33 91.173 -12.728 24.286 1.00 25.96 N ATOM 1307 CA PRO B 33 90.699 -12.315 25.610 1.00 25.89 C ATOM 1308 C PRO B 33 90.231 -10.873 25.570 1.00 20.13 C ATOM 1309 O PRO B 33 90.852 -10.022 24.912 1.00 19.77 O ATOM 1310 CB PRO B 33 91.932 -12.460 26.513 1.00 22.07 C ATOM 1311 CG PRO B 33 92.923 -13.291 25.713 1.00 23.62 C ATOM 1312 CD PRO B 33 92.620 -13.014 24.276 1.00 24.40 C ATOM 1313 N PRO B 34 89.176 -10.546 26.308 1.00 19.99 N ATOM 1314 CA PRO B 34 88.665 -9.171 26.291 1.00 20.76 C ATOM 1315 C PRO B 34 89.656 -8.141 26.795 1.00 19.99 C ATOM 1316 O PRO B 34 89.512 -6.972 26.460 1.00 17.21 O ATOM 1317 CB PRO B 34 87.428 -9.246 27.195 1.00 22.67 C ATOM 1318 CG PRO B 34 87.656 -10.451 28.067 1.00 27.18 C ATOM 1319 CD PRO B 34 88.417 -11.420 27.212 1.00 22.52 C ATOM 1320 N GLN B 35 90.668 -8.550 27.559 1.00 13.96 N ATOM 1321 CA GLN B 35 91.715 -7.634 28.002 1.00 15.06 C ATOM 1322 C GLN B 35 92.411 -6.959 26.825 1.00 18.20 C ATOM 1323 O GLN B 35 92.955 -5.857 26.975 1.00 21.32 O ATOM 1324 CB GLN B 35 92.735 -8.381 28.848 1.00 18.55 C ATOM 1325 CG GLN B 35 92.221 -8.855 30.187 1.00 19.04 C ATOM 1326 CD GLN B 35 91.412 -10.144 30.141 1.00 17.57 C ATOM 1327 OE1 GLN B 35 91.239 -10.763 29.101 1.00 18.18 O ATOM 1328 NE2 GLN B 35 90.913 -10.559 31.309 1.00 21.87 N ATOM 1329 HE22 GLN B 35 91.082 -10.005 32.173 1.00 0.00 H ATOM 1330 HE21 GLN B 35 90.356 -11.436 31.354 1.00 0.00 H ATOM 1331 H GLN B 35 90.713 -9.548 27.847 1.00 0.00 H ATOM 1332 N TYR B 36 92.428 -7.605 25.670 1.00 17.82 N ATOM 1333 CA TYR B 36 93.118 -7.074 24.503 1.00 20.26 C ATOM 1334 C TYR B 36 92.223 -6.194 23.632 1.00 22.82 C ATOM 1335 O TYR B 36 92.704 -5.633 22.644 1.00 25.68 O ATOM 1336 CB TYR B 36 93.691 -8.224 23.673 1.00 20.91 C ATOM 1337 CG TYR B 36 94.986 -8.822 24.263 1.00 21.52 C ATOM 1338 CD1 TYR B 36 96.232 -8.308 23.908 1.00 24.34 C ATOM 1339 CD2 TYR B 36 94.949 -9.884 25.175 1.00 25.52 C ATOM 1340 CE1 TYR B 36 97.413 -8.834 24.441 1.00 23.37 C ATOM 1341 CE2 TYR B 36 96.131 -10.429 25.702 1.00 19.66 C ATOM 1342 CZ TYR B 36 97.348 -9.899 25.342 1.00 28.38 C ATOM 1343 OH TYR B 36 98.512 -10.426 25.861 1.00 25.35 O ATOM 1344 HH TYR B 36 99.288 -9.929 25.499 1.00 0.00 H ATOM 1345 H TYR B 36 91.935 -8.517 25.594 1.00 0.00 H ATOM 1346 N ILE B 37 90.946 -6.043 23.969 1.00 17.34 N ATOM 1347 CA ILE B 37 89.963 -5.414 23.081 1.00 16.99 C ATOM 1348 C ILE B 37 89.718 -3.986 23.536 1.00 18.96 C ATOM 1349 O ILE B 37 89.415 -3.736 24.710 1.00 16.52 O ATOM 1350 CB ILE B 37 88.653 -6.226 23.056 1.00 19.55 C ATOM 1351 CG1 ILE B 37 88.914 -7.550 22.349 1.00 26.78 C ATOM 1352 CG2 ILE B 37 87.528 -5.494 22.314 1.00 22.21 C ATOM 1353 CD1 ILE B 37 87.854 -8.460 22.462 1.00 30.65 C ATOM 1354 H ILE B 37 90.632 -6.385 24.900 1.00 0.00 H ATOM 1355 N ALA B 38 89.808 -3.049 22.600 1.00 16.23 N ATOM 1356 CA ALA B 38 89.520 -1.648 22.851 1.00 12.64 C ATOM 1357 C ALA B 38 88.351 -1.262 21.956 1.00 13.68 C ATOM 1358 O ALA B 38 88.304 -1.669 20.791 1.00 15.97 O ATOM 1359 CB ALA B 38 90.743 -0.763 22.558 1.00 20.55 C ATOM 1360 H ALA B 38 90.098 -3.331 21.642 1.00 0.00 H ATOM 1361 N VAL B 39 87.405 -0.506 22.511 1.00 17.97 N ATOM 1362 CA VAL B 39 86.223 -0.070 21.775 1.00 14.24 C ATOM 1363 C VAL B 39 86.036 1.426 21.977 1.00 12.54 C ATOM 1364 O VAL B 39 86.315 1.978 23.046 1.00 15.85 O ATOM 1365 CB VAL B 39 84.965 -0.858 22.204 1.00 20.58 C ATOM 1366 CG1 VAL B 39 85.137 -2.345 21.851 1.00 18.96 C ATOM 1367 CG2 VAL B 39 84.717 -0.703 23.659 1.00 25.67 C ATOM 1368 H VAL B 39 87.513 -0.216 23.504 1.00 0.00 H ATOM 1369 N HIS B 40 85.505 2.082 20.948 1.00 14.16 N ATOM 1370 CA HIS B 40 85.456 3.541 20.914 1.00 10.09 C ATOM 1371 C HIS B 40 84.262 3.939 20.068 1.00 15.14 C ATOM 1372 O HIS B 40 84.215 3.562 18.898 1.00 15.30 O ATOM 1373 CB HIS B 40 86.748 4.058 20.315 1.00 17.28 C ATOM 1374 CG HIS B 40 86.850 5.547 20.189 1.00 18.98 C ATOM 1375 ND1 HIS B 40 87.841 6.136 19.429 1.00 15.05 N ATOM 1376 CD2 HIS B 40 86.134 6.563 20.734 1.00 14.76 C ATOM 1377 CE1 HIS B 40 87.741 7.453 19.516 1.00 14.88 C ATOM 1378 NE2 HIS B 40 86.700 7.742 20.286 1.00 18.25 N ATOM 1379 H HIS B 40 85.116 1.542 20.149 1.00 0.00 H ATOM 1380 N VAL B 41 83.300 4.646 20.674 1.00 15.64 N ATOM 1381 CA VAL B 41 82.051 5.048 20.025 1.00 15.93 C ATOM 1382 C VAL B 41 81.980 6.567 20.029 1.00 14.27 C ATOM 1383 O VAL B 41 82.104 7.195 21.089 1.00 15.43 O ATOM 1384 CB VAL B 41 80.817 4.459 20.738 1.00 17.01 C ATOM 1385 CG1 VAL B 41 79.542 4.976 20.100 1.00 20.57 C ATOM 1386 CG2 VAL B 41 80.830 2.962 20.697 1.00 20.07 C ATOM 1387 H VAL B 41 83.449 4.926 21.664 1.00 0.00 H ATOM 1388 N VAL B 42 81.784 7.154 18.856 1.00 16.95 N ATOM 1389 CA VAL B 42 81.763 8.600 18.698 1.00 17.43 C ATOM 1390 C VAL B 42 80.415 9.002 18.109 1.00 15.66 C ATOM 1391 O VAL B 42 80.210 8.928 16.901 1.00 17.28 O ATOM 1392 CB VAL B 42 82.922 9.086 17.809 1.00 16.32 C ATOM 1393 CG1 VAL B 42 83.021 10.597 17.889 1.00 19.20 C ATOM 1394 CG2 VAL B 42 84.246 8.434 18.238 1.00 17.34 C ATOM 1395 H VAL B 42 81.640 6.557 18.016 1.00 0.00 H ATOM 1396 N PRO B 43 79.456 9.435 18.953 1.00 20.24 N ATOM 1397 CA PRO B 43 78.150 9.870 18.433 1.00 19.49 C ATOM 1398 C PRO B 43 78.106 11.327 17.991 1.00 14.83 C ATOM 1399 O PRO B 43 79.115 12.039 18.015 1.00 18.63 O ATOM 1400 CB PRO B 43 77.210 9.642 19.626 1.00 20.64 C ATOM 1401 CG PRO B 43 78.087 9.824 20.828 1.00 21.59 C ATOM 1402 CD PRO B 43 79.435 9.249 20.417 1.00 20.57 C ATOM 1403 N ASP B 44 76.925 11.760 17.541 1.00 18.24 N ATOM 1404 CA ASP B 44 76.635 13.170 17.274 1.00 18.26 C ATOM 1405 C ASP B 44 77.485 13.737 16.135 1.00 18.08 C ATOM 1406 O ASP B 44 77.695 14.946 16.067 1.00 17.48 O ATOM 1407 CB ASP B 44 76.794 14.017 18.536 1.00 21.53 C ATOM 1408 CG ASP B 44 75.779 13.632 19.617 1.00 28.63 C ATOM 1409 OD1 ASP B 44 74.567 13.745 19.354 1.00 32.61 O ATOM 1410 OD2 ASP B 44 76.198 13.209 20.705 1.00 39.46 O ATOM 1411 H ASP B 44 76.174 11.061 17.372 1.00 0.00 H ATOM 1412 N GLN B 45 77.944 12.881 15.217 1.00 16.15 N ATOM 1413 CA GLN B 45 78.842 13.308 14.155 1.00 17.35 C ATOM 1414 C GLN B 45 78.102 13.936 12.977 1.00 17.17 C ATOM 1415 O GLN B 45 76.975 13.572 12.647 1.00 19.30 O ATOM 1416 CB GLN B 45 79.682 12.127 13.677 1.00 16.55 C ATOM 1417 CG GLN B 45 80.689 11.677 14.748 1.00 15.88 C ATOM 1418 CD GLN B 45 81.529 12.806 15.227 1.00 17.05 C ATOM 1419 OE1 GLN B 45 82.438 13.255 14.539 1.00 16.13 O ATOM 1420 NE2 GLN B 45 81.198 13.322 16.393 1.00 17.03 N ATOM 1421 HE22 GLN B 45 80.419 12.907 16.943 1.00 0.00 H ATOM 1422 HE21 GLN B 45 81.716 14.144 16.764 1.00 0.00 H ATOM 1423 H GLN B 45 77.652 11.884 15.263 1.00 0.00 H ATOM 1424 N LEU B 46 78.772 14.899 12.350 1.00 13.88 N ATOM 1425 CA LEU B 46 78.317 15.539 11.121 1.00 14.11 C ATOM 1426 C LEU B 46 78.790 14.675 9.965 1.00 16.08 C ATOM 1427 O LEU B 46 79.941 14.775 9.519 1.00 16.10 O ATOM 1428 CB LEU B 46 78.870 16.954 11.030 1.00 14.24 C ATOM 1429 CG LEU B 46 78.467 17.807 9.829 1.00 20.59 C ATOM 1430 CD1 LEU B 46 76.942 18.068 9.833 1.00 27.24 C ATOM 1431 CD2 LEU B 46 79.257 19.112 9.827 1.00 27.21 C ATOM 1432 H LEU B 46 79.674 15.214 12.761 1.00 0.00 H ATOM 1433 N MET B 47 77.924 13.786 9.491 1.00 17.78 N ATOM 1434 CA MET B 47 78.327 12.883 8.415 1.00 14.87 C ATOM 1435 C MET B 47 77.145 12.581 7.511 1.00 17.60 C ATOM 1436 O MET B 47 75.986 12.805 7.862 1.00 21.69 O ATOM 1437 CB MET B 47 78.945 11.572 8.938 1.00 21.65 C ATOM 1438 CG MET B 47 78.220 10.885 10.041 1.00 24.04 C ATOM 1439 SD MET B 47 78.813 9.173 10.326 1.00 22.73 S ATOM 1440 CE MET B 47 80.516 9.505 10.774 1.00 25.17 C ATOM 1441 H MET B 47 76.963 13.733 9.884 1.00 0.00 H ATOM 1442 N ALA B 48 77.466 12.062 6.333 1.00 16.00 N ATOM 1443 CA ALA B 48 76.475 11.726 5.322 1.00 19.30 C ATOM 1444 C ALA B 48 76.961 10.474 4.635 1.00 22.23 C ATOM 1445 O ALA B 48 78.165 10.238 4.539 1.00 17.41 O ATOM 1446 CB ALA B 48 76.276 12.865 4.315 1.00 23.64 C ATOM 1447 H ALA B 48 78.470 11.888 6.123 1.00 0.00 H ATOM 1448 N PHE B 49 76.010 9.648 4.209 1.00 19.67 N ATOM 1449 CA PHE B 49 76.278 8.418 3.479 1.00 18.91 C ATOM 1450 C PHE B 49 75.379 8.442 2.250 1.00 18.28 C ATOM 1451 O PHE B 49 74.159 8.541 2.387 1.00 18.81 O ATOM 1452 CB PHE B 49 75.998 7.186 4.361 1.00 19.86 C ATOM 1453 CG PHE B 49 76.439 5.882 3.768 1.00 20.70 C ATOM 1454 CD1 PHE B 49 77.419 5.121 4.397 1.00 22.92 C ATOM 1455 CD2 PHE B 49 75.841 5.374 2.606 1.00 19.37 C ATOM 1456 CE1 PHE B 49 77.828 3.891 3.862 1.00 21.55 C ATOM 1457 CE2 PHE B 49 76.243 4.156 2.066 1.00 28.52 C ATOM 1458 CZ PHE B 49 77.238 3.414 2.693 1.00 22.48 C ATOM 1459 H PHE B 49 75.020 9.895 4.409 1.00 0.00 H ATOM 1460 N GLY B 50 75.978 8.393 1.063 1.00 19.76 N ATOM 1461 CA GLY B 50 75.210 8.558 -0.166 1.00 24.53 C ATOM 1462 C GLY B 50 74.484 9.880 -0.290 1.00 19.85 C ATOM 1463 O GLY B 50 73.396 9.935 -0.892 1.00 22.32 O ATOM 1464 H GLY B 50 77.005 8.235 1.011 1.00 0.00 H ATOM 1465 N GLY B 51 75.060 10.954 0.242 1.00 20.18 N ATOM 1466 CA GLY B 51 74.451 12.277 0.231 1.00 23.31 C ATOM 1467 C GLY B 51 73.344 12.492 1.246 1.00 17.54 C ATOM 1468 O GLY B 51 72.795 13.610 1.319 1.00 20.23 O ATOM 1469 H GLY B 51 75.993 10.844 0.689 1.00 0.00 H ATOM 1470 N SER B 52 73.018 11.468 2.034 1.00 18.72 N ATOM 1471 CA SER B 52 71.914 11.446 2.987 1.00 22.27 C ATOM 1472 C SER B 52 72.423 11.511 4.429 1.00 25.40 C ATOM 1473 O SER B 52 73.451 10.905 4.775 1.00 18.90 O ATOM 1474 CB SER B 52 71.077 10.158 2.793 1.00 20.44 C ATOM 1475 OG SER B 52 70.243 9.936 3.897 1.00 25.02 O ATOM 1476 HG SER B 52 69.718 9.109 3.752 1.00 0.00 H ATOM 1477 H SER B 52 73.601 10.610 1.963 1.00 0.00 H ATOM 1478 N SER B 53 71.667 12.189 5.286 1.00 23.40 N ATOM 1479 CA SER B 53 72.005 12.275 6.703 1.00 29.12 C ATOM 1480 C SER B 53 71.138 11.391 7.576 1.00 25.04 C ATOM 1481 O SER B 53 71.121 11.578 8.798 1.00 22.22 O ATOM 1482 CB SER B 53 71.911 13.712 7.181 1.00 26.82 C ATOM 1483 OG SER B 53 70.636 14.258 6.845 1.00 36.92 O ATOM 1484 HG SER B 53 69.925 13.723 7.279 1.00 0.00 H ATOM 1485 H SER B 53 70.813 12.670 4.938 1.00 0.00 H ATOM 1486 N GLU B 54 70.440 10.437 6.982 1.00 20.20 N ATOM 1487 CA GLU B 54 69.828 9.351 7.737 1.00 25.27 C ATOM 1488 C GLU B 54 70.905 8.708 8.602 1.00 28.51 C ATOM 1489 O GLU B 54 72.099 8.827 8.289 1.00 22.74 O ATOM 1490 CB GLU B 54 69.199 8.313 6.800 1.00 26.41 C ATOM 1491 H GLU B 54 70.325 10.463 5.949 1.00 0.00 H ATOM 1492 N PRO B 55 70.535 8.020 9.677 1.00 28.30 N ATOM 1493 CA PRO B 55 71.546 7.386 10.527 1.00 26.71 C ATOM 1494 C PRO B 55 72.500 6.541 9.708 1.00 25.72 C ATOM 1495 O PRO B 55 72.089 5.770 8.840 1.00 18.56 O ATOM 1496 CB PRO B 55 70.709 6.533 11.483 1.00 29.40 C ATOM 1497 CG PRO B 55 69.438 7.283 11.588 1.00 29.36 C ATOM 1498 CD PRO B 55 69.184 7.862 10.240 1.00 31.71 C ATOM 1499 N CYS B 56 73.790 6.688 9.994 1.00 20.25 N ATOM 1500 CA CYS B 56 74.802 5.938 9.286 1.00 14.35 C ATOM 1501 C CYS B 56 75.992 5.761 10.225 1.00 18.06 C ATOM 1502 O CYS B 56 76.052 6.356 11.294 1.00 17.39 O ATOM 1503 CB CYS B 56 75.219 6.647 7.980 1.00 21.89 C ATOM 1504 SG CYS B 56 75.923 8.314 8.211 1.00 21.26 S ATOM 1505 H CYS B 56 74.076 7.354 10.740 1.00 0.00 H ATOM 1506 N ALA B 57 76.951 4.946 9.812 1.00 17.25 N ATOM 1507 CA ALA B 57 78.137 4.758 10.638 1.00 20.68 C ATOM 1508 C ALA B 57 79.345 4.473 9.763 1.00 22.50 C ATOM 1509 O ALA B 57 79.243 3.755 8.763 1.00 19.84 O ATOM 1510 CB ALA B 57 77.942 3.616 11.646 1.00 18.35 C ATOM 1511 H ALA B 57 76.858 4.444 8.906 1.00 0.00 H ATOM 1512 N LEU B 58 80.491 5.033 10.177 1.00 16.28 N ATOM 1513 CA LEU B 58 81.796 4.772 9.587 1.00 14.83 C ATOM 1514 C LEU B 58 82.666 4.169 10.685 1.00 15.34 C ATOM 1515 O LEU B 58 82.860 4.792 11.732 1.00 16.97 O ATOM 1516 CB LEU B 58 82.436 6.059 9.064 1.00 18.81 C ATOM 1517 CG LEU B 58 81.588 6.862 8.066 1.00 22.07 C ATOM 1518 CD1 LEU B 58 82.291 8.134 7.632 1.00 22.42 C ATOM 1519 CD2 LEU B 58 81.242 5.994 6.867 1.00 21.97 C ATOM 1520 H LEU B 58 80.444 5.699 10.974 1.00 0.00 H ATOM 1521 N CYS B 59 83.176 2.974 10.455 1.00 18.68 N ATOM 1522 CA CYS B 59 83.826 2.205 11.511 1.00 18.96 C ATOM 1523 C CYS B 59 85.172 1.703 11.034 1.00 13.76 C ATOM 1524 O CYS B 59 85.443 1.615 9.834 1.00 14.58 O ATOM 1525 CB CYS B 59 82.995 0.991 11.931 1.00 17.91 C ATOM 1526 SG CYS B 59 81.266 1.354 12.191 1.00 17.89 S ATOM 1527 H CYS B 59 83.113 2.571 9.498 1.00 0.00 H ATOM 1528 N SER B 60 85.959 1.223 11.996 1.00 14.57 N ATOM 1529 CA SER B 60 87.182 0.523 11.669 1.00 13.62 C ATOM 1530 C SER B 60 87.422 -0.578 12.688 1.00 16.01 C ATOM 1531 O SER B 60 87.068 -0.444 13.871 1.00 15.83 O ATOM 1532 CB SER B 60 88.358 1.483 11.642 1.00 17.25 C ATOM 1533 OG SER B 60 88.445 2.133 12.885 1.00 20.70 O ATOM 1534 HG SER B 60 88.578 1.460 13.599 1.00 0.00 H ATOM 1535 H SER B 60 85.691 1.353 12.993 1.00 0.00 H ATOM 1536 N LEU B 61 88.044 -1.657 12.215 1.00 16.29 N ATOM 1537 CA LEU B 61 88.501 -2.749 13.073 1.00 16.64 C ATOM 1538 C LEU B 61 89.972 -3.004 12.756 1.00 16.67 C ATOM 1539 O LEU B 61 90.312 -3.375 11.628 1.00 20.48 O ATOM 1540 CB LEU B 61 87.671 -4.022 12.873 1.00 16.81 C ATOM 1541 CG LEU B 61 88.079 -5.205 13.777 1.00 17.01 C ATOM 1542 CD1 LEU B 61 87.729 -4.903 15.253 1.00 21.69 C ATOM 1543 CD2 LEU B 61 87.472 -6.537 13.337 1.00 25.56 C ATOM 1544 H LEU B 61 88.212 -1.725 11.191 1.00 0.00 H ATOM 1545 N HIS B 62 90.845 -2.763 13.732 1.00 16.64 N ATOM 1546 CA HIS B 62 92.273 -3.022 13.608 1.00 15.99 C ATOM 1547 C HIS B 62 92.598 -4.269 14.416 1.00 19.70 C ATOM 1548 O HIS B 62 92.154 -4.394 15.561 1.00 20.87 O ATOM 1549 CB HIS B 62 93.117 -1.859 14.139 1.00 17.06 C ATOM 1550 CG HIS B 62 93.034 -0.597 13.330 1.00 17.69 C ATOM 1551 ND1 HIS B 62 91.946 0.239 13.369 1.00 22.12 N ATOM 1552 CD2 HIS B 62 93.934 0.000 12.512 1.00 19.62 C ATOM 1553 CE1 HIS B 62 92.156 1.274 12.578 1.00 17.29 C ATOM 1554 NE2 HIS B 62 93.359 1.157 12.053 1.00 20.57 N ATOM 1555 H HIS B 62 90.490 -2.370 14.627 1.00 0.00 H ATOM 1556 N SER B 63 93.350 -5.189 13.812 1.00 19.09 N ATOM 1557 CA SER B 63 93.764 -6.414 14.483 1.00 19.54 C ATOM 1558 C SER B 63 95.152 -6.798 13.978 1.00 21.27 C ATOM 1559 O SER B 63 95.528 -6.485 12.850 1.00 18.66 O ATOM 1560 CB SER B 63 92.732 -7.533 14.227 1.00 23.12 C ATOM 1561 OG SER B 63 92.992 -8.665 15.034 1.00 38.39 O ATOM 1562 HG SER B 63 93.895 -9.015 14.828 1.00 0.00 H ATOM 1563 H SER B 63 93.651 -5.027 12.830 1.00 0.00 H ATOM 1564 N ILE B 64 95.938 -7.423 14.846 1.00 20.25 N ATOM 1565 CA ILE B 64 97.201 -8.020 14.431 1.00 19.38 C ATOM 1566 C ILE B 64 96.854 -9.422 13.927 1.00 23.20 C ATOM 1567 O ILE B 64 96.692 -10.344 14.718 1.00 26.21 O ATOM 1568 CB ILE B 64 98.216 -8.057 15.576 1.00 17.82 C ATOM 1569 CG1 ILE B 64 98.519 -6.619 16.054 1.00 19.30 C ATOM 1570 CG2 ILE B 64 99.479 -8.782 15.117 1.00 21.01 C ATOM 1571 CD1 ILE B 64 99.285 -6.513 17.373 1.00 19.79 C ATOM 1572 H ILE B 64 95.647 -7.488 15.842 1.00 0.00 H ATOM 1573 N GLY B 65 96.728 -9.578 12.615 1.00 32.56 N ATOM 1574 CA GLY B 65 96.088 -10.778 12.040 1.00 42.88 C ATOM 1575 C GLY B 65 94.582 -10.921 12.360 1.00 37.04 C ATOM 1576 O GLY B 65 93.919 -10.022 12.866 1.00 35.36 O ATOM 1577 H GLY B 65 97.088 -8.839 11.978 1.00 0.00 H ATOM 1578 N LYS B 66 94.053 -12.109 12.052 1.00 36.65 N ATOM 1579 CA LYS B 66 92.614 -12.368 12.199 1.00 48.80 C ATOM 1580 C LYS B 66 91.795 -11.430 11.302 1.00 36.52 C ATOM 1581 O LYS B 66 90.670 -11.042 11.637 1.00 33.97 O ATOM 1582 CB LYS B 66 92.170 -12.243 13.661 1.00 35.93 C ATOM 1583 H LYS B 66 94.673 -12.866 11.701 1.00 0.00 H ATOM 1584 N ILE B 67 92.387 -11.065 10.165 1.00 30.35 N ATOM 1585 CA ILE B 67 91.778 -10.233 9.131 1.00 46.95 C ATOM 1586 C ILE B 67 91.900 -10.974 7.804 1.00 45.01 C ATOM 1587 O ILE B 67 92.949 -11.552 7.499 1.00 44.90 O ATOM 1588 CB ILE B 67 92.463 -8.846 9.041 1.00 36.16 C ATOM 1589 CG1 ILE B 67 92.189 -8.036 10.317 1.00 29.65 C ATOM 1590 CG2 ILE B 67 92.040 -8.087 7.766 1.00 33.92 C ATOM 1591 CD1 ILE B 67 90.746 -7.616 10.512 1.00 43.71 C ATOM 1592 H ILE B 67 93.358 -11.399 10.002 1.00 0.00 H ATOM 1593 N GLY B 68 90.839 -10.948 7.012 1.00 35.18 N ATOM 1594 CA GLY B 68 90.836 -11.656 5.747 1.00 39.42 C ATOM 1595 C GLY B 68 89.425 -11.898 5.262 1.00 41.73 C ATOM 1596 O GLY B 68 88.445 -11.644 5.960 1.00 31.58 O ATOM 1597 H GLY B 68 89.996 -10.412 7.302 1.00 0.00 H ATOM 1598 N GLY B 69 89.340 -12.410 4.034 1.00 37.63 N ATOM 1599 CA GLY B 69 88.082 -12.502 3.321 1.00 34.87 C ATOM 1600 C GLY B 69 86.886 -12.978 4.125 1.00 36.17 C ATOM 1601 O GLY B 69 85.947 -12.217 4.386 1.00 29.45 O ATOM 1602 H GLY B 69 90.206 -12.755 3.572 1.00 0.00 H ATOM 1603 N ALA B 70 86.900 -14.252 4.517 1.00 35.93 N ATOM 1604 CA ALA B 70 85.741 -14.814 5.201 1.00 34.66 C ATOM 1605 C ALA B 70 85.607 -14.249 6.604 1.00 29.35 C ATOM 1606 O ALA B 70 84.492 -13.973 7.062 1.00 26.92 O ATOM 1607 CB ALA B 70 85.838 -16.337 5.248 1.00 41.19 C ATOM 1608 H ALA B 70 87.736 -14.844 4.335 1.00 0.00 H ATOM 1609 N GLN B 71 86.730 -14.071 7.305 1.00 30.80 N ATOM 1610 CA GLN B 71 86.666 -13.473 8.633 1.00 34.46 C ATOM 1611 C GLN B 71 86.021 -12.091 8.581 1.00 25.68 C ATOM 1612 O GLN B 71 85.208 -11.750 9.447 1.00 22.22 O ATOM 1613 CB GLN B 71 88.063 -13.377 9.245 1.00 36.09 C ATOM 1614 CG GLN B 71 88.665 -14.703 9.683 1.00 41.27 C ATOM 1615 CD GLN B 71 90.136 -14.583 10.027 1.00 40.09 C ATOM 1616 OE1 GLN B 71 90.527 -14.726 11.190 1.00 44.64 O ATOM 1617 NE2 GLN B 71 90.965 -14.324 9.012 1.00 42.91 N ATOM 1618 HE22 GLN B 71 90.589 -14.212 8.049 1.00 0.00 H ATOM 1619 HE21 GLN B 71 91.987 -14.235 9.185 1.00 0.00 H ATOM 1620 H GLN B 71 87.646 -14.358 6.905 1.00 0.00 H ATOM 1621 N ASN B 72 86.415 -11.254 7.606 1.00 25.28 N ATOM 1622 CA ASN B 72 85.836 -9.910 7.524 1.00 28.20 C ATOM 1623 C ASN B 72 84.347 -9.958 7.199 1.00 28.49 C ATOM 1624 O ASN B 72 83.576 -9.124 7.683 1.00 19.41 O ATOM 1625 CB ASN B 72 86.591 -9.059 6.489 1.00 24.44 C ATOM 1626 CG ASN B 72 88.051 -8.824 6.877 1.00 22.92 C ATOM 1627 OD1 ASN B 72 88.453 -9.136 7.990 1.00 23.65 O ATOM 1628 ND2 ASN B 72 88.844 -8.268 5.958 1.00 26.40 N ATOM 1629 HD22 ASN B 72 88.462 -8.018 5.024 1.00 0.00 H ATOM 1630 HD21 ASN B 72 89.844 -8.085 6.176 1.00 0.00 H ATOM 1631 H ASN B 72 87.128 -11.559 6.913 1.00 0.00 H ATOM 1632 N ARG B 73 83.904 -10.944 6.423 1.00 25.88 N ATOM 1633 CA ARG B 73 82.472 -11.044 6.171 1.00 27.91 C ATOM 1634 C ARG B 73 81.734 -11.374 7.454 1.00 23.53 C ATOM 1635 O ARG B 73 80.676 -10.804 7.741 1.00 24.80 O ATOM 1636 CB ARG B 73 82.201 -12.094 5.086 1.00 28.31 C ATOM 1637 CG ARG B 73 82.424 -11.569 3.662 1.00 32.84 C ATOM 1638 CD ARG B 73 82.033 -12.600 2.596 1.00 43.91 C ATOM 1639 NE ARG B 73 82.927 -13.758 2.592 1.00 53.49 N ATOM 1640 CZ ARG B 73 84.030 -13.864 1.852 1.00 60.35 C ATOM 1641 NH1 ARG B 73 84.393 -12.878 1.036 1.00 48.96 N ATOM 1642 NH2 ARG B 73 84.776 -14.963 1.927 1.00 46.53 N ATOM 1643 HE ARG B 73 82.684 -14.557 3.212 1.00 0.00 H ATOM 1644 HH12 ARG B 73 85.255 -12.969 0.462 1.00 0.00 H ATOM 1645 HH11 ARG B 73 83.814 -12.016 0.972 1.00 0.00 H ATOM 1646 HH22 ARG B 73 85.637 -15.047 1.350 1.00 0.00 H ATOM 1647 HH21 ARG B 73 84.498 -15.738 2.563 1.00 0.00 H ATOM 1648 H ARG B 73 84.566 -11.629 6.005 1.00 0.00 H ATOM 1649 N SER B 74 82.291 -12.291 8.249 1.00 28.15 N ATOM 1650 CA SER B 74 81.646 -12.661 9.498 1.00 24.34 C ATOM 1651 C SER B 74 81.614 -11.479 10.463 1.00 25.74 C ATOM 1652 O SER B 74 80.580 -11.214 11.090 1.00 24.43 O ATOM 1653 CB SER B 74 82.371 -13.869 10.111 1.00 31.52 C ATOM 1654 OG SER B 74 81.841 -14.183 11.373 1.00 37.91 O ATOM 1655 HG SER B 74 80.880 -14.401 11.281 1.00 0.00 H ATOM 1656 H SER B 74 83.187 -12.741 7.974 1.00 0.00 H ATOM 1657 N TYR B 75 82.729 -10.737 10.575 1.00 24.74 N ATOM 1658 CA TYR B 75 82.731 -9.545 11.412 1.00 21.84 C ATOM 1659 C TYR B 75 81.682 -8.541 10.936 1.00 22.73 C ATOM 1660 O TYR B 75 81.022 -7.888 11.747 1.00 20.41 O ATOM 1661 CB TYR B 75 84.111 -8.873 11.416 1.00 22.74 C ATOM 1662 CG TYR B 75 85.287 -9.635 12.020 1.00 23.53 C ATOM 1663 CD1 TYR B 75 85.130 -10.546 13.055 1.00 38.04 C ATOM 1664 CD2 TYR B 75 86.560 -9.444 11.508 1.00 25.47 C ATOM 1665 CE1 TYR B 75 86.232 -11.227 13.576 1.00 35.77 C ATOM 1666 CE2 TYR B 75 87.653 -10.097 12.013 1.00 33.19 C ATOM 1667 CZ TYR B 75 87.493 -10.996 13.041 1.00 38.21 C ATOM 1668 OH TYR B 75 88.621 -11.640 13.513 1.00 41.52 O ATOM 1669 HH TYR B 75 89.037 -12.156 12.778 1.00 0.00 H ATOM 1670 H TYR B 75 83.591 -11.014 10.064 1.00 0.00 H ATOM 1671 N SER B 76 81.518 -8.390 9.619 1.00 22.93 N ATOM 1672 CA SER B 76 80.567 -7.393 9.140 1.00 21.79 C ATOM 1673 C SER B 76 79.128 -7.774 9.488 1.00 22.69 C ATOM 1674 O SER B 76 78.327 -6.913 9.863 1.00 21.72 O ATOM 1675 CB SER B 76 80.724 -7.197 7.644 1.00 25.79 C ATOM 1676 OG SER B 76 82.037 -6.782 7.314 1.00 24.73 O ATOM 1677 HG SER B 76 82.684 -7.470 7.612 1.00 0.00 H ATOM 1678 H SER B 76 82.058 -8.972 8.948 1.00 0.00 H ATOM 1679 N LYS B 77 78.771 -9.056 9.373 1.00 27.22 N ATOM 1680 CA LYS B 77 77.418 -9.456 9.757 1.00 25.03 C ATOM 1681 C LYS B 77 77.198 -9.235 11.250 1.00 23.23 C ATOM 1682 O LYS B 77 76.130 -8.779 11.678 1.00 21.68 O ATOM 1683 CB LYS B 77 77.177 -10.917 9.359 1.00 24.82 C ATOM 1684 CG LYS B 77 75.960 -11.574 10.005 1.00 30.78 C ATOM 1685 CD LYS B 77 75.842 -13.058 9.618 1.00 32.31 C ATOM 1686 H LYS B 77 79.447 -9.761 9.015 1.00 0.00 H ATOM 1687 N LEU B 78 78.212 -9.523 12.062 1.00 22.67 N ATOM 1688 CA LEU B 78 78.064 -9.345 13.504 1.00 23.01 C ATOM 1689 C LEU B 78 77.921 -7.875 13.866 1.00 22.23 C ATOM 1690 O LEU B 78 77.052 -7.494 14.661 1.00 21.55 O ATOM 1691 CB LEU B 78 79.274 -9.928 14.229 1.00 22.81 C ATOM 1692 CG LEU B 78 79.396 -9.605 15.724 1.00 38.97 C ATOM 1693 CD1 LEU B 78 78.360 -10.393 16.527 1.00 41.21 C ATOM 1694 CD2 LEU B 78 80.809 -9.894 16.194 1.00 34.29 C ATOM 1695 H LEU B 78 79.109 -9.874 11.670 1.00 0.00 H ATOM 1696 N LEU B 79 78.813 -7.042 13.329 1.00 23.98 N ATOM 1697 CA LEU B 79 78.863 -5.643 13.727 1.00 22.56 C ATOM 1698 C LEU B 79 77.725 -4.843 13.107 1.00 22.14 C ATOM 1699 O LEU B 79 77.111 -4.005 13.789 1.00 22.68 O ATOM 1700 CB LEU B 79 80.234 -5.070 13.360 1.00 21.91 C ATOM 1701 CG LEU B 79 81.395 -5.677 14.161 1.00 21.66 C ATOM 1702 CD1 LEU B 79 82.731 -5.308 13.532 1.00 20.52 C ATOM 1703 CD2 LEU B 79 81.324 -5.248 15.651 1.00 25.48 C ATOM 1704 H LEU B 79 79.482 -7.397 12.616 1.00 0.00 H ATOM 1705 N CYS B 80 77.394 -5.083 11.831 1.00 21.29 N ATOM 1706 CA CYS B 80 76.175 -4.479 11.310 1.00 25.34 C ATOM 1707 C CYS B 80 74.970 -4.902 12.139 1.00 23.74 C ATOM 1708 O CYS B 80 74.077 -4.092 12.406 1.00 21.16 O ATOM 1709 CB CYS B 80 75.972 -4.853 9.843 1.00 26.12 C ATOM 1710 SG CYS B 80 77.153 -4.056 8.705 1.00 22.11 S ATOM 1711 H CYS B 80 77.991 -5.684 11.229 1.00 0.00 H ATOM 1712 N GLY B 81 74.930 -6.166 12.569 1.00 25.81 N ATOM 1713 CA GLY B 81 73.808 -6.615 13.373 1.00 27.46 C ATOM 1714 C GLY B 81 73.660 -5.802 14.640 1.00 24.14 C ATOM 1715 O GLY B 81 72.562 -5.362 14.986 1.00 24.53 O ATOM 1716 H GLY B 81 75.698 -6.825 12.329 1.00 0.00 H ATOM 1717 N LEU B 82 74.780 -5.539 15.320 1.00 24.04 N ATOM 1718 CA LEU B 82 74.730 -4.784 16.565 1.00 29.04 C ATOM 1719 C LEU B 82 74.366 -3.327 16.313 1.00 21.73 C ATOM 1720 O LEU B 82 73.622 -2.729 17.091 1.00 24.18 O ATOM 1721 CB LEU B 82 76.072 -4.883 17.287 1.00 23.94 C ATOM 1722 CG LEU B 82 76.361 -6.197 18.024 1.00 34.86 C ATOM 1723 CD1 LEU B 82 77.842 -6.301 18.388 1.00 30.76 C ATOM 1724 CD2 LEU B 82 75.490 -6.312 19.294 1.00 28.63 C ATOM 1725 H LEU B 82 75.695 -5.876 14.958 1.00 0.00 H ATOM 1726 N LEU B 83 74.888 -2.735 15.240 1.00 23.93 N ATOM 1727 CA LEU B 83 74.558 -1.341 14.949 1.00 21.93 C ATOM 1728 C LEU B 83 73.087 -1.178 14.568 1.00 23.09 C ATOM 1729 O LEU B 83 72.466 -0.169 14.912 1.00 23.97 O ATOM 1730 CB LEU B 83 75.473 -0.809 13.848 1.00 22.60 C ATOM 1731 CG LEU B 83 76.940 -0.610 14.271 1.00 22.61 C ATOM 1732 CD1 LEU B 83 77.829 -0.410 13.051 1.00 19.26 C ATOM 1733 CD2 LEU B 83 77.054 0.566 15.174 1.00 20.91 C ATOM 1734 H LEU B 83 75.528 -3.262 14.612 1.00 0.00 H ATOM 1735 N ALA B 84 72.520 -2.147 13.856 1.00 26.13 N ATOM 1736 CA ALA B 84 71.092 -2.099 13.537 1.00 24.21 C ATOM 1737 C ALA B 84 70.224 -2.299 14.782 1.00 27.97 C ATOM 1738 O ALA B 84 69.306 -1.510 15.041 1.00 26.45 O ATOM 1739 CB ALA B 84 70.771 -3.142 12.464 1.00 26.53 C ATOM 1740 H ALA B 84 73.096 -2.946 13.523 1.00 0.00 H ATOM 1741 N GLU B 85 70.527 -3.315 15.593 1.00 34.26 N ATOM 1742 CA GLU B 85 69.722 -3.591 16.788 1.00 25.64 C ATOM 1743 C GLU B 85 69.857 -2.488 17.842 1.00 31.07 C ATOM 1744 O GLU B 85 68.860 -2.033 18.421 1.00 28.99 O ATOM 1745 CB GLU B 85 70.130 -4.951 17.388 1.00 36.78 C ATOM 1746 CG GLU B 85 69.373 -5.368 18.679 1.00 46.06 C ATOM 1747 CD GLU B 85 70.029 -6.551 19.419 1.00 36.19 C ATOM 1748 H GLU B 85 71.345 -3.919 15.375 1.00 0.00 H ATOM 1749 N ARG B 86 71.085 -2.057 18.124 1.00 25.53 N ATOM 1750 CA ARG B 86 71.329 -1.150 19.245 1.00 25.88 C ATOM 1751 C ARG B 86 71.273 0.323 18.878 1.00 28.22 C ATOM 1752 O ARG B 86 70.862 1.136 19.710 1.00 26.51 O ATOM 1753 CB ARG B 86 72.692 -1.429 19.873 1.00 28.84 C ATOM 1754 CG ARG B 86 72.844 -2.832 20.415 1.00 26.59 C ATOM 1755 CD ARG B 86 71.741 -3.203 21.429 1.00 27.47 C ATOM 1756 NE ARG B 86 72.048 -4.494 22.018 1.00 33.46 N ATOM 1757 CZ ARG B 86 71.157 -5.401 22.402 1.00 45.89 C ATOM 1758 NH1 ARG B 86 69.848 -5.191 22.255 1.00 41.85 N ATOM 1759 NH2 ARG B 86 71.596 -6.540 22.925 1.00 35.59 N ATOM 1760 HE ARG B 86 73.052 -4.729 22.151 1.00 0.00 H ATOM 1761 HH12 ARG B 86 69.167 -5.915 22.563 1.00 0.00 H ATOM 1762 HH11 ARG B 86 69.508 -4.303 21.833 1.00 0.00 H ATOM 1763 HH22 ARG B 86 70.918 -7.266 23.233 1.00 0.00 H ATOM 1764 HH21 ARG B 86 72.618 -6.706 23.026 1.00 0.00 H ATOM 1765 H ARG B 86 71.884 -2.371 17.537 1.00 0.00 H ATOM 1766 N LEU B 87 71.732 0.702 17.685 1.00 22.66 N ATOM 1767 CA LEU B 87 71.693 2.094 17.270 1.00 25.68 C ATOM 1768 C LEU B 87 70.681 2.371 16.169 1.00 26.59 C ATOM 1769 O LEU B 87 70.503 3.539 15.795 1.00 25.90 O ATOM 1770 CB LEU B 87 73.080 2.556 16.801 1.00 23.28 C ATOM 1771 CG LEU B 87 74.254 2.344 17.765 1.00 24.05 C ATOM 1772 CD1 LEU B 87 75.485 3.127 17.280 1.00 26.79 C ATOM 1773 CD2 LEU B 87 73.891 2.771 19.160 1.00 28.88 C ATOM 1774 H LEU B 87 72.125 -0.012 17.039 1.00 0.00 H ATOM 1775 N ARG B 88 70.008 1.345 15.644 1.00 27.20 N ATOM 1776 CA ARG B 88 68.964 1.530 14.639 1.00 31.66 C ATOM 1777 C ARG B 88 69.537 2.095 13.339 1.00 27.83 C ATOM 1778 O ARG B 88 68.899 2.887 12.645 1.00 26.80 O ATOM 1779 CB ARG B 88 67.832 2.415 15.179 1.00 34.50 C ATOM 1780 CG ARG B 88 67.160 1.885 16.474 1.00 36.68 C ATOM 1781 CD ARG B 88 66.482 0.527 16.250 1.00 37.55 C ATOM 1782 H ARG B 88 70.235 0.381 15.961 1.00 0.00 H ATOM 1783 N ILE B 89 70.751 1.671 13.000 1.00 20.82 N ATOM 1784 CA ILE B 89 71.405 2.042 11.758 1.00 26.13 C ATOM 1785 C ILE B 89 71.234 0.901 10.767 1.00 23.32 C ATOM 1786 O ILE B 89 71.536 -0.257 11.083 1.00 23.88 O ATOM 1787 CB ILE B 89 72.901 2.336 11.978 1.00 24.44 C ATOM 1788 CG1 ILE B 89 73.085 3.436 13.028 1.00 23.37 C ATOM 1789 CG2 ILE B 89 73.561 2.688 10.649 1.00 22.61 C ATOM 1790 CD1 ILE B 89 74.572 3.587 13.505 1.00 17.45 C ATOM 1791 H ILE B 89 71.257 1.043 13.657 1.00 0.00 H ATOM 1792 N SER B 90 70.785 1.229 9.561 1.00 28.72 N ATOM 1793 CA SER B 90 70.634 0.217 8.528 1.00 27.80 C ATOM 1794 C SER B 90 72.000 -0.314 8.092 1.00 23.95 C ATOM 1795 O SER B 90 72.930 0.472 7.871 1.00 20.97 O ATOM 1796 CB SER B 90 69.902 0.794 7.324 1.00 27.80 C ATOM 1797 OG SER B 90 69.756 -0.196 6.330 1.00 25.42 O ATOM 1798 HG SER B 90 70.650 -0.513 6.048 1.00 0.00 H ATOM 1799 H SER B 90 70.539 2.218 9.354 1.00 0.00 H ATOM 1800 N PRO B 91 72.149 -1.635 7.932 1.00 26.70 N ATOM 1801 CA PRO B 91 73.448 -2.171 7.470 1.00 24.41 C ATOM 1802 C PRO B 91 73.935 -1.616 6.150 1.00 24.14 C ATOM 1803 O PRO B 91 75.151 -1.553 5.945 1.00 22.58 O ATOM 1804 CB PRO B 91 73.185 -3.676 7.374 1.00 30.04 C ATOM 1805 CG PRO B 91 72.182 -3.909 8.379 1.00 27.06 C ATOM 1806 CD PRO B 91 71.258 -2.728 8.352 1.00 30.61 C ATOM 1807 N ASP B 92 73.052 -1.178 5.251 1.00 20.60 N ATOM 1808 CA ASP B 92 73.530 -0.624 3.989 1.00 23.29 C ATOM 1809 C ASP B 92 73.938 0.852 4.127 1.00 20.07 C ATOM 1810 O ASP B 92 74.267 1.514 3.129 1.00 22.85 O ATOM 1811 CB ASP B 92 72.479 -0.829 2.879 1.00 25.85 C ATOM 1812 CG ASP B 92 71.188 -0.079 3.127 1.00 30.21 C ATOM 1813 OD1 ASP B 92 71.052 0.600 4.161 1.00 27.76 O ATOM 1814 OD2 ASP B 92 70.301 -0.152 2.246 1.00 32.11 O ATOM 1815 H ASP B 92 72.032 -1.231 5.448 1.00 0.00 H ATOM 1816 N ARG B 93 74.006 1.349 5.358 1.00 25.07 N ATOM 1817 CA ARG B 93 74.547 2.673 5.644 1.00 22.08 C ATOM 1818 C ARG B 93 75.692 2.591 6.655 1.00 17.57 C ATOM 1819 O ARG B 93 75.924 3.529 7.421 1.00 18.77 O ATOM 1820 CB ARG B 93 73.437 3.606 6.122 1.00 21.46 C ATOM 1821 CG ARG B 93 72.380 3.816 5.032 1.00 19.91 C ATOM 1822 CD ARG B 93 71.265 4.784 5.434 1.00 23.14 C ATOM 1823 NE ARG B 93 71.757 6.081 5.873 1.00 20.79 N ATOM 1824 CZ ARG B 93 72.242 7.012 5.049 1.00 21.86 C ATOM 1825 NH1 ARG B 93 72.320 6.789 3.729 1.00 20.68 N ATOM 1826 NH2 ARG B 93 72.653 8.163 5.558 1.00 22.02 N ATOM 1827 HE ARG B 93 71.729 6.295 6.890 1.00 0.00 H ATOM 1828 HH12 ARG B 93 72.700 7.524 3.099 1.00 0.00 H ATOM 1829 HH11 ARG B 93 72.000 5.881 3.335 1.00 0.00 H ATOM 1830 HH22 ARG B 93 73.034 8.901 4.933 1.00 0.00 H ATOM 1831 HH21 ARG B 93 72.595 8.329 6.583 1.00 0.00 H ATOM 1832 H ARG B 93 73.659 0.770 6.149 1.00 0.00 H ATOM 1833 N VAL B 94 76.423 1.472 6.632 1.00 23.88 N ATOM 1834 CA VAL B 94 77.578 1.228 7.494 1.00 21.07 C ATOM 1835 C VAL B 94 78.741 0.862 6.593 1.00 22.27 C ATOM 1836 O VAL B 94 78.598 0.011 5.703 1.00 21.06 O ATOM 1837 CB VAL B 94 77.322 0.086 8.507 1.00 18.53 C ATOM 1838 CG1 VAL B 94 78.587 -0.253 9.303 1.00 21.03 C ATOM 1839 CG2 VAL B 94 76.217 0.439 9.462 1.00 17.40 C ATOM 1840 H VAL B 94 76.153 0.728 5.958 1.00 0.00 H ATOM 1841 N TYR B 95 79.892 1.498 6.822 1.00 16.85 N ATOM 1842 CA TYR B 95 81.169 1.024 6.324 1.00 21.00 C ATOM 1843 C TYR B 95 82.023 0.593 7.513 1.00 20.31 C ATOM 1844 O TYR B 95 82.040 1.263 8.553 1.00 16.85 O ATOM 1845 CB TYR B 95 81.901 2.117 5.524 1.00 21.66 C ATOM 1846 CG TYR B 95 81.385 2.362 4.121 1.00 17.59 C ATOM 1847 CD1 TYR B 95 80.910 1.317 3.336 1.00 21.70 C ATOM 1848 CD2 TYR B 95 81.392 3.646 3.561 1.00 16.67 C ATOM 1849 CE1 TYR B 95 80.473 1.537 2.051 1.00 22.79 C ATOM 1850 CE2 TYR B 95 80.929 3.878 2.265 1.00 19.59 C ATOM 1851 CZ TYR B 95 80.469 2.817 1.520 1.00 25.15 C ATOM 1852 OH TYR B 95 80.023 3.013 0.228 1.00 24.59 O ATOM 1853 HH TYR B 95 80.758 3.386 -0.320 1.00 0.00 H ATOM 1854 H TYR B 95 79.872 2.373 7.383 1.00 0.00 H ATOM 1855 N ILE B 96 82.735 -0.516 7.342 1.00 17.80 N ATOM 1856 CA ILE B 96 83.718 -0.994 8.317 1.00 17.75 C ATOM 1857 C ILE B 96 85.007 -1.255 7.556 1.00 17.82 C ATOM 1858 O ILE B 96 85.063 -2.173 6.722 1.00 20.51 O ATOM 1859 CB ILE B 96 83.275 -2.275 9.035 1.00 18.39 C ATOM 1860 CG1 ILE B 96 81.883 -2.121 9.637 1.00 13.48 C ATOM 1861 CG2 ILE B 96 84.341 -2.641 10.106 1.00 18.80 C ATOM 1862 CD1 ILE B 96 81.247 -3.445 9.900 1.00 23.28 C ATOM 1863 H ILE B 96 82.587 -1.071 6.475 1.00 0.00 H ATOM 1864 N ASN B 97 86.045 -0.471 7.847 1.00 19.50 N ATOM 1865 CA ASN B 97 87.355 -0.687 7.258 1.00 15.66 C ATOM 1866 C ASN B 97 88.155 -1.630 8.141 1.00 20.80 C ATOM 1867 O ASN B 97 88.312 -1.386 9.341 1.00 18.32 O ATOM 1868 CB ASN B 97 88.106 0.628 7.101 1.00 14.91 C ATOM 1869 CG ASN B 97 87.570 1.463 5.955 1.00 22.68 C ATOM 1870 OD1 ASN B 97 86.369 1.538 5.735 1.00 30.55 O ATOM 1871 ND2 ASN B 97 88.466 2.062 5.208 1.00 23.66 N ATOM 1872 HD22 ASN B 97 89.477 1.970 5.434 1.00 0.00 H ATOM 1873 HD21 ASN B 97 88.166 2.629 4.390 1.00 0.00 H ATOM 1874 H ASN B 97 85.913 0.316 8.514 1.00 0.00 H ATOM 1875 N TYR B 98 88.671 -2.689 7.537 1.00 19.20 N ATOM 1876 CA TYR B 98 89.463 -3.677 8.244 1.00 19.91 C ATOM 1877 C TYR B 98 90.944 -3.444 7.969 1.00 23.71 C ATOM 1878 O TYR B 98 91.340 -3.171 6.829 1.00 19.44 O ATOM 1879 CB TYR B 98 89.025 -5.077 7.810 1.00 20.36 C ATOM 1880 CG TYR B 98 87.602 -5.378 8.206 1.00 20.44 C ATOM 1881 CD1 TYR B 98 87.296 -5.742 9.509 1.00 21.15 C ATOM 1882 CD2 TYR B 98 86.557 -5.296 7.293 1.00 21.21 C ATOM 1883 CE1 TYR B 98 86.004 -6.016 9.893 1.00 21.61 C ATOM 1884 CE2 TYR B 98 85.256 -5.578 7.672 1.00 24.79 C ATOM 1885 CZ TYR B 98 84.985 -5.933 8.982 1.00 20.36 C ATOM 1886 OH TYR B 98 83.718 -6.202 9.435 1.00 21.69 O ATOM 1887 HH TYR B 98 83.341 -6.963 8.926 1.00 0.00 H ATOM 1888 H TYR B 98 88.502 -2.817 6.519 1.00 0.00 H ATOM 1889 N TYR B 99 91.756 -3.510 9.029 1.00 16.61 N ATOM 1890 CA TYR B 99 93.194 -3.302 8.926 1.00 16.31 C ATOM 1891 C TYR B 99 93.931 -4.421 9.635 1.00 20.09 C ATOM 1892 O TYR B 99 93.734 -4.621 10.837 1.00 19.37 O ATOM 1893 CB TYR B 99 93.600 -1.975 9.549 1.00 17.21 C ATOM 1894 CG TYR B 99 92.905 -0.809 8.923 1.00 18.33 C ATOM 1895 CD1 TYR B 99 93.378 -0.245 7.738 1.00 24.41 C ATOM 1896 CD2 TYR B 99 91.776 -0.281 9.500 1.00 12.03 C ATOM 1897 CE1 TYR B 99 92.726 0.820 7.140 1.00 19.87 C ATOM 1898 CE2 TYR B 99 91.110 0.814 8.905 1.00 14.72 C ATOM 1899 CZ TYR B 99 91.607 1.357 7.739 1.00 18.90 C ATOM 1900 OH TYR B 99 90.946 2.442 7.149 1.00 21.23 O ATOM 1901 HH TYR B 99 91.426 2.711 6.326 1.00 0.00 H ATOM 1902 H TYR B 99 91.346 -3.718 9.962 1.00 0.00 H ATOM 1903 N ASP B 100 94.805 -5.104 8.899 1.00 18.45 N ATOM 1904 CA ASP B 100 95.720 -6.102 9.442 1.00 16.85 C ATOM 1905 C ASP B 100 97.004 -5.384 9.827 1.00 19.10 C ATOM 1906 O ASP B 100 97.776 -4.970 8.954 1.00 19.27 O ATOM 1907 CB ASP B 100 95.965 -7.180 8.388 1.00 22.58 C ATOM 1908 CG ASP B 100 96.840 -8.333 8.876 1.00 35.76 C ATOM 1909 OD1 ASP B 100 97.285 -8.341 10.032 1.00 23.77 O ATOM 1910 OD2 ASP B 100 97.072 -9.257 8.073 1.00 29.38 O ATOM 1911 H ASP B 100 94.837 -4.915 7.877 1.00 0.00 H ATOM 1912 N MET B 101 97.228 -5.209 11.125 1.00 16.79 N ATOM 1913 CA MET B 101 98.422 -4.503 11.582 1.00 18.36 C ATOM 1914 C MET B 101 99.562 -5.487 11.832 1.00 15.69 C ATOM 1915 O MET B 101 99.339 -6.590 12.328 1.00 20.31 O ATOM 1916 CB MET B 101 98.122 -3.730 12.868 1.00 16.90 C ATOM 1917 CG MET B 101 97.059 -2.615 12.757 1.00 21.83 C ATOM 1918 SD MET B 101 97.546 -1.277 11.655 1.00 20.55 S ATOM 1919 CE MET B 101 98.931 -0.550 12.496 1.00 16.91 C ATOM 1920 H MET B 101 96.548 -5.577 11.820 1.00 0.00 H ATOM 1921 N ASN B 102 100.777 -5.079 11.480 1.00 18.35 N ATOM 1922 CA ASN B 102 101.960 -5.812 11.909 1.00 21.75 C ATOM 1923 C ASN B 102 102.227 -5.534 13.372 1.00 19.80 C ATOM 1924 O ASN B 102 102.078 -4.402 13.843 1.00 15.32 O ATOM 1925 CB ASN B 102 103.192 -5.421 11.094 1.00 18.22 C ATOM 1926 CG ASN B 102 103.086 -5.771 9.614 1.00 33.86 C ATOM 1927 OD1 ASN B 102 103.745 -5.129 8.796 1.00 32.77 O ATOM 1928 ND2 ASN B 102 102.297 -6.790 9.265 1.00 37.08 N ATOM 1929 HD22 ASN B 102 101.759 -7.303 9.992 1.00 0.00 H ATOM 1930 HD21 ASN B 102 102.221 -7.070 8.266 1.00 0.00 H ATOM 1931 H ASN B 102 100.884 -4.228 10.892 1.00 0.00 H ATOM 1932 N ALA B 103 102.596 -6.589 14.106 1.00 17.42 N ATOM 1933 CA ALA B 103 102.815 -6.452 15.545 1.00 19.22 C ATOM 1934 C ALA B 103 103.809 -5.341 15.884 1.00 16.59 C ATOM 1935 O ALA B 103 103.662 -4.653 16.906 1.00 16.50 O ATOM 1936 CB ALA B 103 103.293 -7.795 16.124 1.00 18.25 C ATOM 1937 H ALA B 103 102.728 -7.514 13.650 1.00 0.00 H ATOM 1938 N ALA B 104 104.836 -5.148 15.061 1.00 15.15 N ATOM 1939 CA ALA B 104 105.819 -4.107 15.389 1.00 16.52 C ATOM 1940 C ALA B 104 105.273 -2.708 15.151 1.00 15.52 C ATOM 1941 O ALA B 104 105.894 -1.725 15.580 1.00 17.08 O ATOM 1942 CB ALA B 104 107.089 -4.292 14.564 1.00 24.08 C ATOM 1943 H ALA B 104 104.941 -5.724 14.201 1.00 0.00 H ATOM 1944 N ASN B 105 104.134 -2.596 14.469 1.00 16.37 N ATOM 1945 CA ASN B 105 103.508 -1.309 14.189 1.00 14.29 C ATOM 1946 C ASN B 105 102.353 -1.002 15.151 1.00 17.37 C ATOM 1947 O ASN B 105 101.575 -0.072 14.904 1.00 15.15 O ATOM 1948 CB ASN B 105 103.047 -1.253 12.725 1.00 16.97 C ATOM 1949 CG ASN B 105 104.203 -1.143 11.758 1.00 19.39 C ATOM 1950 OD1 ASN B 105 105.288 -0.682 12.111 1.00 19.94 O ATOM 1951 ND2 ASN B 105 103.992 -1.596 10.535 1.00 20.57 N ATOM 1952 HD22 ASN B 105 103.060 -1.978 10.276 1.00 0.00 H ATOM 1953 HD21 ASN B 105 104.758 -1.570 9.832 1.00 0.00 H ATOM 1954 H ASN B 105 103.673 -3.461 14.122 1.00 0.00 H ATOM 1955 N VAL B 106 102.251 -1.727 16.269 1.00 15.97 N ATOM 1956 CA VAL B 106 101.282 -1.430 17.327 1.00 14.87 C ATOM 1957 C VAL B 106 102.045 -1.193 18.621 1.00 18.34 C ATOM 1958 O VAL B 106 102.635 -2.120 19.184 1.00 16.84 O ATOM 1959 CB VAL B 106 100.246 -2.541 17.512 1.00 13.42 C ATOM 1960 CG1 VAL B 106 99.239 -2.120 18.600 1.00 15.19 C ATOM 1961 CG2 VAL B 106 99.531 -2.814 16.181 1.00 18.51 C ATOM 1962 H VAL B 106 102.889 -2.539 16.394 1.00 0.00 H ATOM 1963 N GLY B 107 102.043 0.051 19.079 1.00 12.71 N ATOM 1964 CA GLY B 107 102.620 0.372 20.352 1.00 15.03 C ATOM 1965 C GLY B 107 101.664 0.128 21.505 1.00 14.64 C ATOM 1966 O GLY B 107 100.444 0.303 21.408 1.00 16.49 O ATOM 1967 H GLY B 107 101.616 0.806 18.506 1.00 0.00 H ATOM 1968 N TRP B 108 102.256 -0.234 22.632 1.00 16.17 N ATOM 1969 CA TRP B 108 101.533 -0.583 23.841 1.00 13.09 C ATOM 1970 C TRP B 108 102.561 -0.722 24.968 1.00 14.20 C ATOM 1971 O TRP B 108 103.606 -1.335 24.769 1.00 16.17 O ATOM 1972 CB TRP B 108 100.750 -1.897 23.657 1.00 19.06 C ATOM 1973 CG TRP B 108 100.142 -2.382 24.923 1.00 14.53 C ATOM 1974 CD1 TRP B 108 99.068 -1.855 25.550 1.00 15.72 C ATOM 1975 CD2 TRP B 108 100.582 -3.483 25.737 1.00 15.81 C ATOM 1976 NE1 TRP B 108 98.787 -2.556 26.693 1.00 20.18 N ATOM 1977 CE2 TRP B 108 99.717 -3.552 26.838 1.00 18.75 C ATOM 1978 CE3 TRP B 108 101.638 -4.404 25.645 1.00 16.91 C ATOM 1979 CZ2 TRP B 108 99.856 -4.512 27.847 1.00 21.25 C ATOM 1980 CZ3 TRP B 108 101.777 -5.365 26.655 1.00 16.98 C ATOM 1981 CH2 TRP B 108 100.895 -5.401 27.736 1.00 18.22 C ATOM 1982 HE1 TRP B 108 97.998 -2.364 27.343 1.00 0.00 H ATOM 1983 H TRP B 108 103.295 -0.270 22.652 1.00 0.00 H ATOM 1984 N ASN B 109 102.256 -0.164 26.132 1.00 13.71 N ATOM 1985 CA ASN B 109 103.051 -0.397 27.349 1.00 18.27 C ATOM 1986 C ASN B 109 104.528 -0.050 27.155 1.00 18.71 C ATOM 1987 O ASN B 109 105.425 -0.826 27.471 1.00 18.84 O ATOM 1988 CB ASN B 109 102.898 -1.847 27.818 1.00 21.25 C ATOM 1989 CG ASN B 109 103.369 -2.038 29.230 1.00 19.13 C ATOM 1990 OD1 ASN B 109 103.188 -1.150 30.086 1.00 16.69 O ATOM 1991 ND2 ASN B 109 103.945 -3.205 29.509 1.00 15.15 N ATOM 1992 HD22 ASN B 109 104.073 -3.914 28.759 1.00 0.00 H ATOM 1993 HD21 ASN B 109 104.267 -3.408 30.477 1.00 0.00 H ATOM 1994 H ASN B 109 101.426 0.460 26.187 1.00 0.00 H ATOM 1995 N ASN B 110 104.785 1.136 26.616 1.00 18.56 N ATOM 1996 CA ASN B 110 106.132 1.651 26.437 1.00 15.77 C ATOM 1997 C ASN B 110 106.932 0.914 25.370 1.00 21.33 C ATOM 1998 O ASN B 110 108.110 1.205 25.195 1.00 21.52 O ATOM 1999 CB ASN B 110 106.902 1.632 27.767 1.00 18.62 C ATOM 2000 CG ASN B 110 106.401 2.678 28.743 1.00 23.04 C ATOM 2001 OD1 ASN B 110 105.991 3.753 28.352 1.00 22.80 O ATOM 2002 ND2 ASN B 110 106.485 2.384 30.006 1.00 27.82 N ATOM 2003 HD22 ASN B 110 106.841 1.452 30.300 1.00 0.00 H ATOM 2004 HD21 ASN B 110 106.196 3.080 30.722 1.00 0.00 H ATOM 2005 H ASN B 110 103.985 1.724 26.307 1.00 0.00 H ATOM 2006 N SER B 111 106.325 -0.022 24.639 1.00 15.35 N ATOM 2007 CA SER B 111 107.021 -0.743 23.589 1.00 16.81 C ATOM 2008 C SER B 111 106.050 -1.052 22.456 1.00 20.13 C ATOM 2009 O SER B 111 105.113 -0.278 22.200 1.00 19.97 O ATOM 2010 CB SER B 111 107.637 -2.034 24.145 1.00 22.37 C ATOM 2011 OG SER B 111 108.514 -2.605 23.183 1.00 18.49 O ATOM 2012 HG SER B 111 108.907 -3.437 23.549 1.00 0.00 H ATOM 2013 H SER B 111 105.326 -0.241 24.826 1.00 0.00 H ATOM 2014 N THR B 112 106.261 -2.178 21.775 1.00 17.28 N ATOM 2015 CA THR B 112 105.328 -2.692 20.787 1.00 17.52 C ATOM 2016 C THR B 112 104.974 -4.152 21.100 1.00 16.49 C ATOM 2017 O THR B 112 105.519 -4.787 22.010 1.00 15.10 O ATOM 2018 CB THR B 112 105.921 -2.619 19.376 1.00 15.95 C ATOM 2019 OG1 THR B 112 106.985 -3.576 19.273 1.00 14.84 O ATOM 2020 CG2 THR B 112 106.454 -1.176 19.055 1.00 18.73 C ATOM 2021 HG1 THR B 112 107.376 -3.537 18.364 1.00 0.00 H ATOM 2022 H THR B 112 107.133 -2.713 21.959 1.00 0.00 H ATOM 2023 N PHE B 113 104.086 -4.695 20.287 1.00 13.86 N ATOM 2024 CA PHE B 113 103.720 -6.104 20.374 1.00 15.23 C ATOM 2025 C PHE B 113 104.689 -7.016 19.626 1.00 19.26 C ATOM 2026 O PHE B 113 104.489 -8.234 19.654 1.00 19.46 O ATOM 2027 CB PHE B 113 102.284 -6.320 19.855 1.00 17.83 C ATOM 2028 CG PHE B 113 101.220 -5.991 20.852 1.00 16.56 C ATOM 2029 CD1 PHE B 113 101.041 -6.772 21.976 1.00 22.91 C ATOM 2030 CD2 PHE B 113 100.404 -4.880 20.677 1.00 14.75 C ATOM 2031 CE1 PHE B 113 100.048 -6.468 22.913 1.00 24.49 C ATOM 2032 CE2 PHE B 113 99.397 -4.580 21.591 1.00 17.35 C ATOM 2033 CZ PHE B 113 99.234 -5.364 22.724 1.00 20.13 C ATOM 2034 H PHE B 113 103.634 -4.100 19.563 1.00 0.00 H ATOM 2035 N ALA B 114 105.749 -6.482 19.017 1.00 17.61 N ATOM 2036 CA ALA B 114 106.758 -7.312 18.332 1.00 17.63 C ATOM 2037 C ALA B 114 107.343 -8.367 19.265 1.00 18.53 C ATOM 2038 O ALA B 114 107.527 -9.517 18.856 1.00 16.58 O ATOM 2039 CB ALA B 114 107.883 -6.454 17.755 1.00 17.16 C ATOM 2040 OXT ALA B 114 107.627 -8.084 20.430 1.00 18.39 O ATOM 2041 H ALA B 114 105.868 -5.449 19.025 1.00 0.00 H TER 2042 ALA B 114 ATOM 2043 N PRO C 1 84.430 6.462 -2.481 1.00 36.61 N ATOM 2044 CA PRO C 1 85.329 6.812 -1.375 1.00 33.41 C ATOM 2045 C PRO C 1 84.664 7.342 -0.099 1.00 40.57 C ATOM 2046 O PRO C 1 83.474 7.654 -0.067 1.00 35.75 O ATOM 2047 CB PRO C 1 86.219 7.904 -1.980 1.00 38.64 C ATOM 2048 CG PRO C 1 85.425 8.448 -3.150 1.00 44.97 C ATOM 2049 CD PRO C 1 84.721 7.249 -3.688 1.00 35.15 C ATOM 2050 HN2 PRO C 1 83.449 6.644 -2.188 1.00 0.00 H ATOM 2051 HN1 PRO C 1 84.544 5.452 -2.701 1.00 0.00 H ATOM 2052 N MET C 2 85.484 7.423 0.951 1.00 21.34 N ATOM 2053 CA MET C 2 85.114 7.964 2.248 1.00 16.41 C ATOM 2054 C MET C 2 86.091 9.074 2.562 1.00 16.08 C ATOM 2055 O MET C 2 87.306 8.848 2.549 1.00 17.77 O ATOM 2056 CB MET C 2 85.165 6.865 3.317 1.00 22.51 C ATOM 2057 CG MET C 2 85.038 7.312 4.752 1.00 23.58 C ATOM 2058 SD MET C 2 85.179 5.940 5.928 1.00 25.71 S ATOM 2059 CE MET C 2 86.781 5.267 5.546 1.00 32.78 C ATOM 2060 H MET C 2 86.457 7.074 0.833 1.00 0.00 H ATOM 2061 N PHE C 3 85.566 10.264 2.876 1.00 16.05 N ATOM 2062 CA PHE C 3 86.387 11.436 3.098 1.00 15.56 C ATOM 2063 C PHE C 3 86.090 11.935 4.505 1.00 18.17 C ATOM 2064 O PHE C 3 84.935 12.203 4.834 1.00 14.41 O ATOM 2065 CB PHE C 3 86.116 12.543 2.060 1.00 14.52 C ATOM 2066 CG PHE C 3 86.939 13.789 2.282 1.00 16.21 C ATOM 2067 CD1 PHE C 3 88.320 13.729 2.214 1.00 15.70 C ATOM 2068 CD2 PHE C 3 86.352 15.013 2.521 1.00 23.65 C ATOM 2069 CE1 PHE C 3 89.095 14.829 2.409 1.00 16.65 C ATOM 2070 CE2 PHE C 3 87.133 16.137 2.720 1.00 22.79 C ATOM 2071 CZ PHE C 3 88.519 16.041 2.662 1.00 21.61 C ATOM 2072 H PHE C 3 84.533 10.350 2.964 1.00 0.00 H ATOM 2073 N ILE C 4 87.128 12.053 5.319 1.00 13.73 N ATOM 2074 CA ILE C 4 87.034 12.545 6.683 1.00 15.14 C ATOM 2075 C ILE C 4 87.902 13.792 6.844 1.00 14.01 C ATOM 2076 O ILE C 4 89.079 13.799 6.444 1.00 13.28 O ATOM 2077 CB ILE C 4 87.450 11.462 7.700 1.00 17.93 C ATOM 2078 CG1 ILE C 4 86.647 10.160 7.482 1.00 21.71 C ATOM 2079 CG2 ILE C 4 87.251 11.986 9.120 1.00 16.55 C ATOM 2080 CD1 ILE C 4 87.409 8.915 7.945 1.00 33.89 C ATOM 2081 H ILE C 4 88.065 11.778 4.961 1.00 0.00 H ATOM 2082 N VAL C 5 87.312 14.826 7.455 1.00 15.68 N ATOM 2083 CA VAL C 5 87.956 16.102 7.777 1.00 14.15 C ATOM 2084 C VAL C 5 87.938 16.313 9.289 1.00 13.43 C ATOM 2085 O VAL C 5 86.866 16.308 9.910 1.00 12.83 O ATOM 2086 CB VAL C 5 87.251 17.292 7.094 1.00 15.17 C ATOM 2087 CG1 VAL C 5 87.874 18.637 7.554 1.00 12.96 C ATOM 2088 CG2 VAL C 5 87.269 17.152 5.597 1.00 11.30 C ATOM 2089 H VAL C 5 86.313 14.715 7.724 1.00 0.00 H ATOM 2090 N ASN C 6 89.114 16.576 9.866 1.00 12.26 N ATOM 2091 CA ASN C 6 89.259 16.941 11.275 1.00 13.01 C ATOM 2092 C ASN C 6 89.850 18.340 11.330 1.00 12.41 C ATOM 2093 O ASN C 6 90.942 18.565 10.802 1.00 10.87 O ATOM 2094 CB ASN C 6 90.162 15.935 12.009 1.00 12.38 C ATOM 2095 CG ASN C 6 89.639 14.519 11.918 1.00 18.86 C ATOM 2096 OD1 ASN C 6 88.820 14.117 12.737 1.00 15.28 O ATOM 2097 ND2 ASN C 6 90.100 13.754 10.910 1.00 21.13 N ATOM 2098 HD22 ASN C 6 90.795 14.140 10.240 1.00 0.00 H ATOM 2099 HD21 ASN C 6 89.761 12.777 10.802 1.00 0.00 H ATOM 2100 H ASN C 6 89.973 16.518 9.282 1.00 0.00 H ATOM 2101 N THR C 7 89.148 19.284 11.965 1.00 12.01 N ATOM 2102 CA THR C 7 89.634 20.662 11.904 1.00 14.89 C ATOM 2103 C THR C 7 89.351 21.415 13.193 1.00 10.37 C ATOM 2104 O THR C 7 88.391 21.115 13.916 1.00 14.45 O ATOM 2105 CB THR C 7 89.013 21.412 10.688 1.00 14.77 C ATOM 2106 OG1 THR C 7 89.494 22.767 10.621 1.00 15.01 O ATOM 2107 CG2 THR C 7 87.491 21.454 10.757 1.00 12.09 C ATOM 2108 HG1 THR C 7 90.479 22.762 10.523 1.00 0.00 H ATOM 2109 H THR C 7 88.281 19.045 12.487 1.00 0.00 H ATOM 2110 N ASN C 8 90.189 22.413 13.457 1.00 13.73 N ATOM 2111 CA ASN C 8 90.011 23.323 14.577 1.00 11.34 C ATOM 2112 C ASN C 8 89.090 24.480 14.228 1.00 17.38 C ATOM 2113 O ASN C 8 88.778 25.292 15.099 1.00 17.15 O ATOM 2114 CB ASN C 8 91.373 23.845 15.105 1.00 11.86 C ATOM 2115 CG ASN C 8 92.177 24.600 14.077 1.00 15.27 C ATOM 2116 OD1 ASN C 8 91.954 24.490 12.871 1.00 13.69 O ATOM 2117 ND2 ASN C 8 93.177 25.357 14.556 1.00 15.29 N ATOM 2118 HD22 ASN C 8 93.333 25.424 15.582 1.00 0.00 H ATOM 2119 HD21 ASN C 8 93.796 25.876 13.901 1.00 0.00 H ATOM 2120 H ASN C 8 91.010 22.549 12.833 1.00 0.00 H ATOM 2121 N VAL C 9 88.605 24.542 13.001 1.00 16.72 N ATOM 2122 CA VAL C 9 87.629 25.582 12.652 1.00 14.56 C ATOM 2123 C VAL C 9 86.342 25.310 13.416 1.00 18.35 C ATOM 2124 O VAL C 9 85.968 24.133 13.583 1.00 17.09 O ATOM 2125 CB VAL C 9 87.400 25.583 11.142 1.00 18.44 C ATOM 2126 CG1 VAL C 9 86.147 26.351 10.753 1.00 31.24 C ATOM 2127 CG2 VAL C 9 88.661 26.179 10.473 1.00 19.15 C ATOM 2128 H VAL C 9 88.914 23.855 12.283 1.00 0.00 H ATOM 2129 N PRO C 10 85.626 26.325 13.879 1.00 17.31 N ATOM 2130 CA PRO C 10 84.423 26.066 14.681 1.00 20.94 C ATOM 2131 C PRO C 10 83.236 25.606 13.845 1.00 16.21 C ATOM 2132 O PRO C 10 83.093 25.945 12.677 1.00 17.68 O ATOM 2133 CB PRO C 10 84.106 27.423 15.318 1.00 24.43 C ATOM 2134 CG PRO C 10 85.231 28.313 15.020 1.00 31.42 C ATOM 2135 CD PRO C 10 85.994 27.752 13.860 1.00 19.39 C ATOM 2136 N ARG C 11 82.327 24.891 14.509 1.00 19.02 N ATOM 2137 CA ARG C 11 81.181 24.319 13.806 1.00 18.53 C ATOM 2138 C ARG C 11 80.385 25.387 13.069 1.00 16.45 C ATOM 2139 O ARG C 11 79.915 25.153 11.956 1.00 18.02 O ATOM 2140 CB ARG C 11 80.289 23.578 14.788 1.00 21.51 C ATOM 2141 CG ARG C 11 78.968 23.137 14.179 1.00 33.19 C ATOM 2142 CD ARG C 11 79.129 22.395 12.835 1.00 44.91 C ATOM 2143 NE ARG C 11 77.833 22.047 12.247 1.00 38.32 N ATOM 2144 HE ARG C 11 76.953 22.304 12.738 1.00 0.00 H ATOM 2145 H ARG C 11 82.434 24.740 15.532 1.00 0.00 H ATOM 2146 N ALA C 12 80.228 26.571 13.676 1.00 23.20 N ATOM 2147 CA ALA C 12 79.413 27.620 13.068 1.00 26.58 C ATOM 2148 C ALA C 12 79.997 28.137 11.753 1.00 24.92 C ATOM 2149 O ALA C 12 79.256 28.700 10.938 1.00 25.55 O ATOM 2150 CB ALA C 12 79.229 28.755 14.076 1.00 25.88 C ATOM 2151 H ALA C 12 80.692 26.745 14.590 1.00 0.00 H ATOM 2152 N SER C 13 81.293 27.925 11.507 1.00 20.99 N ATOM 2153 CA SER C 13 81.952 28.290 10.259 1.00 20.04 C ATOM 2154 C SER C 13 81.813 27.247 9.150 1.00 19.08 C ATOM 2155 O SER C 13 82.251 27.500 8.023 1.00 22.99 O ATOM 2156 CB SER C 13 83.436 28.553 10.517 1.00 31.54 C ATOM 2157 OG SER C 13 83.585 29.661 11.389 1.00 31.75 O ATOM 2158 HG SER C 13 84.548 29.825 11.551 1.00 0.00 H ATOM 2159 H SER C 13 81.865 27.473 12.249 1.00 0.00 H ATOM 2160 N VAL C 14 81.214 26.095 9.416 1.00 17.11 N ATOM 2161 CA VAL C 14 80.957 25.097 8.381 1.00 16.73 C ATOM 2162 C VAL C 14 79.648 25.485 7.707 1.00 17.35 C ATOM 2163 O VAL C 14 78.600 25.459 8.367 1.00 19.91 O ATOM 2164 CB VAL C 14 80.870 23.678 8.956 1.00 21.19 C ATOM 2165 CG1 VAL C 14 80.673 22.696 7.838 1.00 17.32 C ATOM 2166 CG2 VAL C 14 82.121 23.347 9.704 1.00 24.44 C ATOM 2167 H VAL C 14 80.918 25.895 10.393 1.00 0.00 H ATOM 2168 N PRO C 15 79.654 25.845 6.427 1.00 20.84 N ATOM 2169 CA PRO C 15 78.442 26.378 5.803 1.00 21.72 C ATOM 2170 C PRO C 15 77.413 25.304 5.508 1.00 21.46 C ATOM 2171 O PRO C 15 77.735 24.124 5.319 1.00 15.73 O ATOM 2172 CB PRO C 15 78.958 27.007 4.506 1.00 19.83 C ATOM 2173 CG PRO C 15 80.224 26.291 4.204 1.00 26.51 C ATOM 2174 CD PRO C 15 80.828 25.945 5.544 1.00 21.60 C ATOM 2175 N ASP C 16 76.150 25.733 5.484 1.00 21.54 N ATOM 2176 CA ASP C 16 75.094 24.873 4.956 1.00 23.75 C ATOM 2177 C ASP C 16 75.509 24.319 3.602 1.00 20.01 C ATOM 2178 O ASP C 16 76.056 25.041 2.765 1.00 16.95 O ATOM 2179 CB ASP C 16 73.788 25.650 4.773 1.00 26.58 C ATOM 2180 CG ASP C 16 73.099 25.983 6.065 1.00 33.36 C ATOM 2181 OD1 ASP C 16 73.526 25.517 7.151 1.00 24.73 O ATOM 2182 OD2 ASP C 16 72.103 26.735 5.967 1.00 31.50 O ATOM 2183 H ASP C 16 75.917 26.681 5.842 1.00 0.00 H ATOM 2184 N GLY C 17 75.203 23.044 3.372 1.00 14.90 N ATOM 2185 CA GLY C 17 75.468 22.386 2.110 1.00 20.09 C ATOM 2186 C GLY C 17 76.846 21.770 1.974 1.00 19.18 C ATOM 2187 O GLY C 17 77.135 21.158 0.936 1.00 14.62 O ATOM 2188 H GLY C 17 74.753 22.496 4.133 1.00 0.00 H ATOM 2189 N PHE C 18 77.698 21.888 2.997 1.00 16.96 N ATOM 2190 CA PHE C 18 79.091 21.464 2.843 1.00 19.11 C ATOM 2191 C PHE C 18 79.200 19.961 2.608 1.00 15.38 C ATOM 2192 O PHE C 18 79.962 19.510 1.743 1.00 18.94 O ATOM 2193 CB PHE C 18 79.896 21.869 4.081 1.00 14.32 C ATOM 2194 CG PHE C 18 81.397 21.717 3.910 1.00 14.66 C ATOM 2195 CD1 PHE C 18 82.029 22.262 2.820 1.00 18.51 C ATOM 2196 CD2 PHE C 18 82.165 21.067 4.870 1.00 18.98 C ATOM 2197 CE1 PHE C 18 83.415 22.139 2.653 1.00 19.73 C ATOM 2198 CE2 PHE C 18 83.539 20.954 4.708 1.00 21.56 C ATOM 2199 CZ PHE C 18 84.154 21.490 3.592 1.00 18.36 C ATOM 2200 H PHE C 18 77.371 22.281 3.903 1.00 0.00 H ATOM 2201 N LEU C 19 78.482 19.161 3.402 1.00 13.20 N ATOM 2202 CA LEU C 19 78.561 17.714 3.211 1.00 19.31 C ATOM 2203 C LEU C 19 78.096 17.318 1.818 1.00 19.46 C ATOM 2204 O LEU C 19 78.697 16.441 1.183 1.00 15.73 O ATOM 2205 CB LEU C 19 77.745 16.973 4.263 1.00 17.06 C ATOM 2206 CG LEU C 19 78.179 17.054 5.725 1.00 22.81 C ATOM 2207 CD1 LEU C 19 77.299 16.129 6.566 1.00 25.29 C ATOM 2208 CD2 LEU C 19 79.621 16.675 5.853 1.00 20.48 C ATOM 2209 H LEU C 19 77.876 19.562 4.145 1.00 0.00 H ATOM 2210 N SER C 20 77.011 17.943 1.335 1.00 18.94 N ATOM 2211 CA SER C 20 76.522 17.662 -0.011 1.00 15.21 C ATOM 2212 C SER C 20 77.513 18.114 -1.068 1.00 14.74 C ATOM 2213 O SER C 20 77.700 17.431 -2.078 1.00 16.12 O ATOM 2214 CB SER C 20 75.164 18.343 -0.235 1.00 17.71 C ATOM 2215 OG SER C 20 74.201 17.804 0.629 1.00 20.91 O ATOM 2216 HG SER C 20 74.109 16.834 0.455 1.00 0.00 H ATOM 2217 H SER C 20 76.512 18.637 1.928 1.00 0.00 H ATOM 2218 N GLU C 21 78.152 19.267 -0.865 1.00 16.10 N ATOM 2219 CA GLU C 21 79.146 19.714 -1.832 1.00 17.63 C ATOM 2220 C GLU C 21 80.306 18.734 -1.902 1.00 16.70 C ATOM 2221 O GLU C 21 80.770 18.380 -2.991 1.00 15.28 O ATOM 2222 CB GLU C 21 79.652 21.112 -1.484 1.00 15.18 C ATOM 2223 CG GLU C 21 80.496 21.665 -2.587 1.00 17.25 C ATOM 2224 CD GLU C 21 80.895 23.095 -2.377 1.00 29.24 C ATOM 2225 OE1 GLU C 21 81.064 23.528 -1.204 1.00 19.58 O ATOM 2226 OE2 GLU C 21 81.051 23.769 -3.410 1.00 19.54 O ATOM 2227 H GLU C 21 77.943 19.842 -0.024 1.00 0.00 H ATOM 2228 N LEU C 22 80.813 18.307 -0.747 1.00 14.73 N ATOM 2229 CA LEU C 22 81.896 17.336 -0.752 1.00 15.62 C ATOM 2230 C LEU C 22 81.485 16.065 -1.475 1.00 14.90 C ATOM 2231 O LEU C 22 82.255 15.511 -2.271 1.00 15.32 O ATOM 2232 CB LEU C 22 82.325 17.016 0.682 1.00 17.67 C ATOM 2233 CG LEU C 22 83.071 18.080 1.456 1.00 16.31 C ATOM 2234 CD1 LEU C 22 83.163 17.659 2.956 1.00 16.33 C ATOM 2235 CD2 LEU C 22 84.452 18.262 0.849 1.00 20.50 C ATOM 2236 H LEU C 22 80.437 18.666 0.154 1.00 0.00 H ATOM 2237 N THR C 23 80.281 15.573 -1.184 1.00 18.03 N ATOM 2238 CA THR C 23 79.801 14.358 -1.832 1.00 19.33 C ATOM 2239 C THR C 23 79.765 14.544 -3.348 1.00 16.64 C ATOM 2240 O THR C 23 80.273 13.714 -4.118 1.00 15.82 O ATOM 2241 CB THR C 23 78.408 14.006 -1.300 1.00 13.59 C ATOM 2242 OG1 THR C 23 78.451 13.782 0.116 1.00 14.35 O ATOM 2243 CG2 THR C 23 77.856 12.760 -2.004 1.00 16.27 C ATOM 2244 HG1 THR C 23 78.770 14.602 0.569 1.00 0.00 H ATOM 2245 H THR C 23 79.679 16.059 -0.489 1.00 0.00 H ATOM 2246 N GLN C 24 79.182 15.647 -3.790 1.00 15.50 N ATOM 2247 CA GLN C 24 79.040 15.886 -5.225 1.00 18.16 C ATOM 2248 C GLN C 24 80.389 16.067 -5.916 1.00 19.67 C ATOM 2249 O GLN C 24 80.607 15.544 -7.026 1.00 16.28 O ATOM 2250 CB GLN C 24 78.153 17.107 -5.463 1.00 16.85 C ATOM 2251 CG GLN C 24 77.911 17.360 -6.945 1.00 22.23 C ATOM 2252 CD GLN C 24 77.074 18.615 -7.194 1.00 36.06 C ATOM 2253 OE1 GLN C 24 77.576 19.738 -7.112 1.00 29.88 O ATOM 2254 NE2 GLN C 24 75.792 18.422 -7.499 1.00 32.36 N ATOM 2255 HE22 GLN C 24 75.411 17.456 -7.557 1.00 0.00 H ATOM 2256 HE21 GLN C 24 75.172 19.237 -7.679 1.00 0.00 H ATOM 2257 H GLN C 24 78.822 16.348 -3.112 1.00 0.00 H ATOM 2258 N GLN C 25 81.316 16.797 -5.286 1.00 17.49 N ATOM 2259 CA GLN C 25 82.611 17.013 -5.929 1.00 15.03 C ATOM 2260 C GLN C 25 83.479 15.769 -5.928 1.00 18.89 C ATOM 2261 O GLN C 25 84.235 15.550 -6.880 1.00 19.41 O ATOM 2262 CB GLN C 25 83.348 18.156 -5.253 1.00 16.87 C ATOM 2263 CG GLN C 25 82.569 19.467 -5.294 1.00 20.99 C ATOM 2264 CD GLN C 25 83.039 20.430 -6.331 1.00 44.25 C ATOM 2265 OE1 GLN C 25 83.616 20.041 -7.352 1.00 44.99 O ATOM 2266 NE2 GLN C 25 82.767 21.721 -6.093 1.00 39.14 N ATOM 2267 HE22 GLN C 25 82.279 21.997 -5.217 1.00 0.00 H ATOM 2268 HE21 GLN C 25 83.044 22.447 -6.784 1.00 0.00 H ATOM 2269 H GLN C 25 81.118 17.206 -4.350 1.00 0.00 H ATOM 2270 N LEU C 26 83.392 14.952 -4.882 1.00 18.13 N ATOM 2271 CA LEU C 26 84.097 13.672 -4.894 1.00 15.31 C ATOM 2272 C LEU C 26 83.524 12.742 -5.953 1.00 23.66 C ATOM 2273 O LEU C 26 84.273 12.033 -6.637 1.00 16.79 O ATOM 2274 CB LEU C 26 84.027 13.046 -3.509 1.00 14.34 C ATOM 2275 CG LEU C 26 84.951 13.723 -2.501 1.00 16.64 C ATOM 2276 CD1 LEU C 26 84.542 13.355 -1.065 1.00 16.26 C ATOM 2277 CD2 LEU C 26 86.403 13.349 -2.771 1.00 19.59 C ATOM 2278 H LEU C 26 82.822 15.224 -4.056 1.00 0.00 H ATOM 2279 N ALA C 27 82.198 12.718 -6.103 1.00 22.31 N ATOM 2280 CA ALA C 27 81.623 11.969 -7.217 1.00 18.20 C ATOM 2281 C ALA C 27 82.139 12.491 -8.549 1.00 20.69 C ATOM 2282 O ALA C 27 82.425 11.703 -9.462 1.00 24.54 O ATOM 2283 CB ALA C 27 80.097 12.032 -7.182 1.00 20.52 C ATOM 2284 H ALA C 27 81.583 13.226 -5.436 1.00 0.00 H ATOM 2285 N GLN C 28 82.229 13.812 -8.705 1.00 20.41 N ATOM 2286 CA GLN C 28 82.730 14.354 -9.966 1.00 20.27 C ATOM 2287 C GLN C 28 84.201 14.008 -10.170 1.00 22.91 C ATOM 2288 O GLN C 28 84.616 13.638 -11.282 1.00 23.26 O ATOM 2289 CB GLN C 28 82.517 15.861 -10.021 1.00 23.25 C ATOM 2290 CG GLN C 28 82.933 16.490 -11.347 1.00 22.57 C ATOM 2291 CD GLN C 28 82.049 16.066 -12.502 1.00 26.32 C ATOM 2292 OE1 GLN C 28 81.013 15.438 -12.304 1.00 21.33 O ATOM 2293 NE2 GLN C 28 82.449 16.416 -13.708 1.00 27.76 N ATOM 2294 HE22 GLN C 28 83.334 16.948 -13.828 1.00 0.00 H ATOM 2295 HE21 GLN C 28 81.879 16.160 -14.540 1.00 0.00 H ATOM 2296 H GLN C 28 81.945 14.451 -7.936 1.00 0.00 H ATOM 2297 N ALA C 29 85.003 14.112 -9.109 1.00 19.51 N ATOM 2298 CA ALA C 29 86.447 13.896 -9.239 1.00 29.53 C ATOM 2299 C ALA C 29 86.777 12.438 -9.513 1.00 31.82 C ATOM 2300 O ALA C 29 87.668 12.144 -10.314 1.00 32.16 O ATOM 2301 CB ALA C 29 87.184 14.342 -7.972 1.00 25.18 C ATOM 2302 H ALA C 29 84.600 14.349 -8.180 1.00 0.00 H ATOM 2303 N THR C 30 86.119 11.522 -8.818 1.00 26.13 N ATOM 2304 CA THR C 30 86.433 10.102 -8.907 1.00 29.48 C ATOM 2305 C THR C 30 85.565 9.382 -9.922 1.00 36.76 C ATOM 2306 O THR C 30 85.841 8.216 -10.226 1.00 34.96 O ATOM 2307 CB THR C 30 86.265 9.395 -7.552 1.00 32.29 C ATOM 2308 OG1 THR C 30 84.868 9.345 -7.183 1.00 36.09 O ATOM 2309 CG2 THR C 30 87.077 10.085 -6.440 1.00 29.83 C ATOM 2310 HG1 THR C 30 84.513 10.267 -7.114 1.00 0.00 H ATOM 2311 H THR C 30 85.351 11.827 -8.187 1.00 0.00 H ATOM 2312 N GLY C 31 84.551 10.057 -10.464 1.00 32.50 N ATOM 2313 CA GLY C 31 83.559 9.443 -11.315 1.00 32.31 C ATOM 2314 C GLY C 31 82.687 8.400 -10.650 1.00 28.26 C ATOM 2315 O GLY C 31 81.858 7.800 -11.339 1.00 31.64 O ATOM 2316 H GLY C 31 84.471 11.074 -10.264 1.00 0.00 H ATOM 2317 N LYS C 32 82.825 8.175 -9.321 1.00 29.39 N ATOM 2318 CA LYS C 32 82.093 7.122 -8.625 1.00 29.26 C ATOM 2319 C LYS C 32 80.676 7.567 -8.265 1.00 27.83 C ATOM 2320 O LYS C 32 80.408 8.759 -8.114 1.00 23.01 O ATOM 2321 CB LYS C 32 82.830 6.709 -7.363 1.00 32.86 C ATOM 2322 CG LYS C 32 84.243 6.166 -7.664 1.00 39.21 C ATOM 2323 CD LYS C 32 84.788 5.353 -6.512 1.00 37.52 C ATOM 2324 H LYS C 32 83.477 8.775 -8.777 1.00 0.00 H ATOM 2325 N PRO C 33 79.747 6.630 -8.121 1.00 25.17 N ATOM 2326 CA PRO C 33 78.373 7.019 -7.844 1.00 21.77 C ATOM 2327 C PRO C 33 78.261 7.650 -6.468 1.00 23.46 C ATOM 2328 O PRO C 33 78.839 7.145 -5.486 1.00 19.62 O ATOM 2329 CB PRO C 33 77.594 5.699 -7.943 1.00 22.57 C ATOM 2330 CG PRO C 33 78.614 4.614 -7.835 1.00 29.39 C ATOM 2331 CD PRO C 33 79.901 5.172 -8.299 1.00 27.87 C ATOM 2332 N PRO C 34 77.539 8.767 -6.349 1.00 21.69 N ATOM 2333 CA PRO C 34 77.420 9.413 -5.032 1.00 23.87 C ATOM 2334 C PRO C 34 76.757 8.537 -3.984 1.00 21.75 C ATOM 2335 O PRO C 34 76.985 8.764 -2.795 1.00 19.65 O ATOM 2336 CB PRO C 34 76.583 10.672 -5.317 1.00 22.47 C ATOM 2337 CG PRO C 34 75.904 10.401 -6.602 1.00 26.21 C ATOM 2338 CD PRO C 34 76.862 9.556 -7.398 1.00 25.99 C ATOM 2339 N GLN C 35 75.956 7.543 -4.380 1.00 21.12 N ATOM 2340 CA GLN C 35 75.239 6.731 -3.397 1.00 20.13 C ATOM 2341 C GLN C 35 76.191 5.942 -2.488 1.00 22.47 C ATOM 2342 O GLN C 35 75.794 5.544 -1.392 1.00 25.93 O ATOM 2343 CB GLN C 35 74.275 5.764 -4.112 1.00 24.90 C ATOM 2344 H GLN C 35 75.842 7.345 -5.395 1.00 0.00 H ATOM 2345 N TYR C 36 77.430 5.713 -2.910 1.00 21.91 N ATOM 2346 CA TYR C 36 78.410 5.029 -2.078 1.00 28.09 C ATOM 2347 C TYR C 36 79.434 5.967 -1.439 1.00 22.30 C ATOM 2348 O TYR C 36 80.374 5.490 -0.804 1.00 18.29 O ATOM 2349 CB TYR C 36 79.139 3.986 -2.895 1.00 30.69 C ATOM 2350 CG TYR C 36 78.266 2.834 -3.302 1.00 33.56 C ATOM 2351 CD1 TYR C 36 78.017 1.778 -2.426 1.00 40.73 C ATOM 2352 CD2 TYR C 36 77.707 2.786 -4.571 1.00 37.82 C ATOM 2353 CE1 TYR C 36 77.227 0.704 -2.806 1.00 50.24 C ATOM 2354 CE2 TYR C 36 76.916 1.718 -4.964 1.00 41.41 C ATOM 2355 CZ TYR C 36 76.678 0.684 -4.075 1.00 60.91 C ATOM 2356 OH TYR C 36 75.895 -0.374 -4.455 1.00 58.56 O ATOM 2357 HH TYR C 36 75.828 -1.019 -3.707 1.00 0.00 H ATOM 2358 H TYR C 36 77.707 6.031 -3.861 1.00 0.00 H ATOM 2359 N ILE C 37 79.291 7.267 -1.586 1.00 16.63 N ATOM 2360 CA ILE C 37 80.287 8.192 -1.051 1.00 17.66 C ATOM 2361 C ILE C 37 79.883 8.575 0.365 1.00 21.79 C ATOM 2362 O ILE C 37 78.727 8.923 0.629 1.00 19.20 O ATOM 2363 CB ILE C 37 80.434 9.427 -1.956 1.00 21.39 C ATOM 2364 CG1 ILE C 37 80.993 8.988 -3.332 1.00 18.55 C ATOM 2365 CG2 ILE C 37 81.325 10.474 -1.306 1.00 20.88 C ATOM 2366 CD1 ILE C 37 81.198 10.100 -4.304 1.00 18.69 C ATOM 2367 H ILE C 37 78.460 7.640 -2.088 1.00 0.00 H ATOM 2368 N ALA C 38 80.835 8.502 1.286 1.00 19.01 N ATOM 2369 CA ALA C 38 80.619 8.895 2.668 1.00 15.80 C ATOM 2370 C ALA C 38 81.522 10.066 3.004 1.00 16.69 C ATOM 2371 O ALA C 38 82.687 10.098 2.587 1.00 16.84 O ATOM 2372 CB ALA C 38 80.904 7.742 3.617 1.00 20.09 C ATOM 2373 H ALA C 38 81.773 8.150 1.008 1.00 0.00 H ATOM 2374 N VAL C 39 80.972 11.038 3.730 1.00 15.94 N ATOM 2375 CA VAL C 39 81.712 12.226 4.136 1.00 15.93 C ATOM 2376 C VAL C 39 81.465 12.504 5.612 1.00 14.97 C ATOM 2377 O VAL C 39 80.384 12.255 6.158 1.00 15.95 O ATOM 2378 CB VAL C 39 81.327 13.463 3.280 1.00 19.80 C ATOM 2379 CG1 VAL C 39 81.657 13.208 1.804 1.00 17.20 C ATOM 2380 CG2 VAL C 39 79.886 13.721 3.413 1.00 21.65 C ATOM 2381 H VAL C 39 79.977 10.946 4.018 1.00 0.00 H ATOM 2382 N HIS C 40 82.489 13.036 6.261 1.00 14.59 N ATOM 2383 CA HIS C 40 82.468 13.192 7.705 1.00 14.89 C ATOM 2384 C HIS C 40 83.328 14.393 8.044 1.00 12.94 C ATOM 2385 O HIS C 40 84.491 14.419 7.656 1.00 12.78 O ATOM 2386 CB HIS C 40 82.995 11.897 8.334 1.00 16.70 C ATOM 2387 CG HIS C 40 83.067 11.892 9.827 1.00 15.47 C ATOM 2388 ND1 HIS C 40 83.792 10.928 10.496 1.00 17.23 N ATOM 2389 CD2 HIS C 40 82.490 12.663 10.781 1.00 16.29 C ATOM 2390 CE1 HIS C 40 83.672 11.117 11.797 1.00 15.81 C ATOM 2391 NE2 HIS C 40 82.890 12.162 12.001 1.00 16.59 N ATOM 2392 H HIS C 40 83.325 13.348 5.727 1.00 0.00 H ATOM 2393 N VAL C 41 82.749 15.373 8.737 1.00 14.56 N ATOM 2394 CA VAL C 41 83.410 16.639 9.055 1.00 14.69 C ATOM 2395 C VAL C 41 83.373 16.807 10.558 1.00 13.61 C ATOM 2396 O VAL C 41 82.299 16.735 11.173 1.00 14.84 O ATOM 2397 CB VAL C 41 82.751 17.844 8.364 1.00 15.14 C ATOM 2398 CG1 VAL C 41 83.455 19.138 8.760 1.00 19.90 C ATOM 2399 CG2 VAL C 41 82.798 17.664 6.832 1.00 19.56 C ATOM 2400 H VAL C 41 81.774 15.230 9.070 1.00 0.00 H ATOM 2401 N VAL C 42 84.537 16.985 11.163 1.00 14.77 N ATOM 2402 CA VAL C 42 84.651 17.064 12.613 1.00 12.58 C ATOM 2403 C VAL C 42 85.289 18.401 12.966 1.00 16.57 C ATOM 2404 O VAL C 42 86.505 18.553 12.912 1.00 14.20 O ATOM 2405 CB VAL C 42 85.467 15.889 13.186 1.00 14.05 C ATOM 2406 CG1 VAL C 42 85.352 15.890 14.735 1.00 19.24 C ATOM 2407 CG2 VAL C 42 84.998 14.560 12.603 1.00 15.95 C ATOM 2408 H VAL C 42 85.397 17.071 10.585 1.00 0.00 H ATOM 2409 N PRO C 43 84.488 19.402 13.342 1.00 13.53 N ATOM 2410 CA PRO C 43 85.045 20.716 13.690 1.00 14.17 C ATOM 2411 C PRO C 43 85.437 20.817 15.158 1.00 13.66 C ATOM 2412 O PRO C 43 85.325 19.837 15.902 1.00 15.44 O ATOM 2413 CB PRO C 43 83.898 21.672 13.341 1.00 18.07 C ATOM 2414 CG PRO C 43 82.652 20.844 13.585 1.00 21.34 C ATOM 2415 CD PRO C 43 83.008 19.411 13.291 1.00 16.76 C ATOM 2416 N ASP C 44 85.903 22.006 15.557 1.00 14.39 N ATOM 2417 CA ASP C 44 86.187 22.371 16.955 1.00 15.97 C ATOM 2418 C ASP C 44 87.280 21.507 17.588 1.00 17.21 C ATOM 2419 O ASP C 44 87.286 21.284 18.806 1.00 14.49 O ATOM 2420 CB ASP C 44 84.920 22.325 17.812 1.00 18.06 C ATOM 2421 CG ASP C 44 83.910 23.377 17.391 1.00 23.01 C ATOM 2422 OD1 ASP C 44 84.248 24.568 17.459 1.00 20.99 O ATOM 2423 OD2 ASP C 44 82.810 22.987 17.002 1.00 26.78 O ATOM 2424 H ASP C 44 86.077 22.725 14.826 1.00 0.00 H ATOM 2425 N GLN C 45 88.219 21.025 16.786 1.00 15.94 N ATOM 2426 CA GLN C 45 89.210 20.096 17.305 1.00 13.87 C ATOM 2427 C GLN C 45 90.384 20.824 17.933 1.00 14.73 C ATOM 2428 O GLN C 45 90.771 21.912 17.503 1.00 14.89 O ATOM 2429 CB GLN C 45 89.707 19.168 16.189 1.00 13.61 C ATOM 2430 CG GLN C 45 88.635 18.196 15.731 1.00 11.58 C ATOM 2431 CD GLN C 45 88.066 17.420 16.897 1.00 16.92 C ATOM 2432 OE1 GLN C 45 88.720 16.520 17.427 1.00 14.15 O ATOM 2433 NE2 GLN C 45 86.869 17.818 17.360 1.00 14.53 N ATOM 2434 HE22 GLN C 45 86.353 18.583 16.879 1.00 0.00 H ATOM 2435 HE21 GLN C 45 86.458 17.362 18.199 1.00 0.00 H ATOM 2436 H GLN C 45 88.247 21.311 15.786 1.00 0.00 H ATOM 2437 N LEU C 46 90.934 20.210 18.972 1.00 11.75 N ATOM 2438 CA LEU C 46 92.176 20.645 19.604 1.00 12.01 C ATOM 2439 C LEU C 46 93.336 20.089 18.771 1.00 15.79 C ATOM 2440 O LEU C 46 93.739 18.934 18.934 1.00 15.76 O ATOM 2441 CB LEU C 46 92.223 20.146 21.040 1.00 15.47 C ATOM 2442 CG LEU C 46 93.384 20.525 21.941 1.00 30.05 C ATOM 2443 CD1 LEU C 46 93.491 22.070 22.121 1.00 27.88 C ATOM 2444 CD2 LEU C 46 93.160 19.859 23.280 1.00 28.81 C ATOM 2445 H LEU C 46 90.454 19.372 19.358 1.00 0.00 H ATOM 2446 N MET C 47 93.886 20.908 17.882 1.00 12.85 N ATOM 2447 CA MET C 47 94.976 20.447 17.035 1.00 14.05 C ATOM 2448 C MET C 47 95.924 21.601 16.711 1.00 15.51 C ATOM 2449 O MET C 47 95.588 22.782 16.831 1.00 15.67 O ATOM 2450 CB MET C 47 94.443 19.779 15.742 1.00 17.63 C ATOM 2451 CG MET C 47 93.542 20.618 14.914 1.00 20.13 C ATOM 2452 SD MET C 47 93.177 19.923 13.245 1.00 17.82 S ATOM 2453 CE MET C 47 92.659 18.264 13.623 1.00 20.22 C ATOM 2454 H MET C 47 93.536 21.883 17.791 1.00 0.00 H ATOM 2455 N ALA C 48 97.143 21.235 16.333 1.00 13.66 N ATOM 2456 CA ALA C 48 98.156 22.203 15.945 1.00 14.19 C ATOM 2457 C ALA C 48 98.873 21.669 14.722 1.00 14.71 C ATOM 2458 O ALA C 48 98.978 20.452 14.525 1.00 11.31 O ATOM 2459 CB ALA C 48 99.147 22.480 17.070 1.00 14.72 C ATOM 2460 H ALA C 48 97.381 20.223 16.314 1.00 0.00 H ATOM 2461 N PHE C 49 99.314 22.603 13.873 1.00 13.67 N ATOM 2462 CA PHE C 49 100.046 22.306 12.648 1.00 16.73 C ATOM 2463 C PHE C 49 101.295 23.182 12.663 1.00 11.69 C ATOM 2464 O PHE C 49 101.180 24.410 12.716 1.00 13.04 O ATOM 2465 CB PHE C 49 99.143 22.589 11.437 1.00 14.60 C ATOM 2466 CG PHE C 49 99.671 22.084 10.126 1.00 12.82 C ATOM 2467 CD1 PHE C 49 99.018 21.068 9.450 1.00 18.45 C ATOM 2468 CD2 PHE C 49 100.798 22.641 9.550 1.00 15.02 C ATOM 2469 CE1 PHE C 49 99.508 20.605 8.215 1.00 15.72 C ATOM 2470 CE2 PHE C 49 101.292 22.179 8.333 1.00 17.25 C ATOM 2471 CZ PHE C 49 100.645 21.188 7.662 1.00 17.39 C ATOM 2472 H PHE C 49 99.124 23.600 14.100 1.00 0.00 H ATOM 2473 N GLY C 50 102.477 22.559 12.685 1.00 13.59 N ATOM 2474 CA GLY C 50 103.711 23.316 12.846 1.00 16.21 C ATOM 2475 C GLY C 50 103.839 24.029 14.169 1.00 22.65 C ATOM 2476 O GLY C 50 104.599 25.002 14.283 1.00 20.50 O ATOM 2477 H GLY C 50 102.516 21.524 12.586 1.00 0.00 H ATOM 2478 N GLY C 51 103.123 23.568 15.188 1.00 14.16 N ATOM 2479 CA GLY C 51 103.113 24.239 16.472 1.00 15.77 C ATOM 2480 C GLY C 51 102.169 25.420 16.582 1.00 13.83 C ATOM 2481 O GLY C 51 102.104 26.039 17.654 1.00 15.80 O ATOM 2482 H GLY C 51 102.556 22.705 15.061 1.00 0.00 H ATOM 2483 N SER C 52 101.414 25.723 15.534 1.00 15.50 N ATOM 2484 CA SER C 52 100.479 26.845 15.496 1.00 14.03 C ATOM 2485 C SER C 52 99.047 26.338 15.511 1.00 14.56 C ATOM 2486 O SER C 52 98.723 25.324 14.874 1.00 14.66 O ATOM 2487 CB SER C 52 100.703 27.699 14.237 1.00 14.25 C ATOM 2488 OG SER C 52 99.533 28.453 13.915 1.00 17.76 O ATOM 2489 HG SER C 52 99.703 28.993 13.103 1.00 0.00 H ATOM 2490 H SER C 52 101.493 25.125 14.687 1.00 0.00 H ATOM 2491 N SER C 53 98.171 27.092 16.185 1.00 15.49 N ATOM 2492 CA SER C 53 96.753 26.760 16.226 1.00 18.40 C ATOM 2493 C SER C 53 95.928 27.623 15.279 1.00 17.17 C ATOM 2494 O SER C 53 94.694 27.698 15.410 1.00 14.30 O ATOM 2495 CB SER C 53 96.223 26.858 17.654 1.00 21.05 C ATOM 2496 OG SER C 53 96.484 28.120 18.251 1.00 21.05 O ATOM 2497 HG SER C 53 96.121 28.129 19.172 1.00 0.00 H ATOM 2498 H SER C 53 98.510 27.935 16.691 1.00 0.00 H ATOM 2499 N GLU C 54 96.569 28.238 14.297 1.00 14.83 N ATOM 2500 CA GLU C 54 95.794 28.849 13.232 1.00 19.67 C ATOM 2501 C GLU C 54 95.025 27.742 12.504 1.00 18.44 C ATOM 2502 O GLU C 54 95.322 26.555 12.672 1.00 16.31 O ATOM 2503 CB GLU C 54 96.698 29.632 12.284 1.00 17.76 C ATOM 2504 CG GLU C 54 97.341 30.847 12.961 1.00 22.37 C ATOM 2505 CD GLU C 54 96.335 31.923 13.353 1.00 29.99 C ATOM 2506 OE1 GLU C 54 96.579 32.641 14.349 1.00 25.50 O ATOM 2507 OE2 GLU C 54 95.291 32.049 12.671 1.00 27.47 O ATOM 2508 H GLU C 54 97.608 28.283 14.289 1.00 0.00 H ATOM 2509 N PRO C 55 94.016 28.109 11.718 1.00 14.34 N ATOM 2510 CA PRO C 55 93.176 27.102 11.074 1.00 13.96 C ATOM 2511 C PRO C 55 94.010 26.078 10.329 1.00 12.17 C ATOM 2512 O PRO C 55 94.947 26.424 9.593 1.00 12.99 O ATOM 2513 CB PRO C 55 92.297 27.947 10.141 1.00 16.41 C ATOM 2514 CG PRO C 55 92.155 29.210 10.912 1.00 19.43 C ATOM 2515 CD PRO C 55 93.538 29.470 11.420 1.00 20.83 C ATOM 2516 N CYS C 56 93.671 24.803 10.546 1.00 14.19 N ATOM 2517 CA CYS C 56 94.326 23.694 9.881 1.00 11.76 C ATOM 2518 C CYS C 56 93.343 22.534 9.772 1.00 9.89 C ATOM 2519 O CYS C 56 92.248 22.551 10.344 1.00 14.48 O ATOM 2520 CB CYS C 56 95.587 23.292 10.639 1.00 16.16 C ATOM 2521 SG CYS C 56 95.259 22.789 12.387 1.00 16.10 S ATOM 2522 H CYS C 56 92.906 24.598 11.220 1.00 0.00 H ATOM 2523 N ALA C 57 93.751 21.501 9.038 1.00 14.31 N ATOM 2524 CA ALA C 57 92.917 20.324 8.895 1.00 14.01 C ATOM 2525 C ALA C 57 93.768 19.079 8.685 1.00 12.15 C ATOM 2526 O ALA C 57 94.772 19.114 7.966 1.00 16.52 O ATOM 2527 CB ALA C 57 91.930 20.470 7.716 1.00 15.28 C ATOM 2528 H ALA C 57 94.676 21.539 8.563 1.00 0.00 H ATOM 2529 N LEU C 58 93.327 17.977 9.285 1.00 11.94 N ATOM 2530 CA LEU C 58 93.866 16.647 9.036 1.00 14.22 C ATOM 2531 C LEU C 58 92.747 15.778 8.456 1.00 16.82 C ATOM 2532 O LEU C 58 91.707 15.576 9.089 1.00 13.01 O ATOM 2533 CB LEU C 58 94.444 16.076 10.340 1.00 12.79 C ATOM 2534 CG LEU C 58 95.459 16.948 11.086 1.00 14.03 C ATOM 2535 CD1 LEU C 58 95.840 16.318 12.430 1.00 18.11 C ATOM 2536 CD2 LEU C 58 96.708 17.207 10.235 1.00 14.13 C ATOM 2537 H LEU C 58 92.552 18.070 9.972 1.00 0.00 H ATOM 2538 N CYS C 59 92.967 15.267 7.258 1.00 15.56 N ATOM 2539 CA CYS C 59 91.938 14.598 6.490 1.00 13.88 C ATOM 2540 C CYS C 59 92.434 13.237 6.038 1.00 15.06 C ATOM 2541 O CYS C 59 93.637 12.949 6.036 1.00 15.24 O ATOM 2542 CB CYS C 59 91.546 15.410 5.241 1.00 14.46 C ATOM 2543 SG CYS C 59 91.319 17.153 5.564 1.00 14.66 S ATOM 2544 H CYS C 59 93.920 15.349 6.849 1.00 0.00 H ATOM 2545 N SER C 60 91.490 12.412 5.609 1.00 14.85 N ATOM 2546 CA SER C 60 91.815 11.134 5.004 1.00 16.08 C ATOM 2547 C SER C 60 90.813 10.841 3.901 1.00 15.84 C ATOM 2548 O SER C 60 89.624 11.150 4.032 1.00 15.35 O ATOM 2549 CB SER C 60 91.808 10.003 6.028 1.00 17.63 C ATOM 2550 OG SER C 60 90.529 9.862 6.603 1.00 14.52 O ATOM 2551 HG SER C 60 89.870 9.657 5.893 1.00 0.00 H ATOM 2552 H SER C 60 90.492 12.687 5.708 1.00 0.00 H ATOM 2553 N LEU C 61 91.301 10.206 2.840 1.00 14.68 N ATOM 2554 CA LEU C 61 90.473 9.747 1.733 1.00 17.06 C ATOM 2555 C LEU C 61 90.753 8.265 1.530 1.00 15.32 C ATOM 2556 O LEU C 61 91.879 7.890 1.193 1.00 16.17 O ATOM 2557 CB LEU C 61 90.769 10.530 0.455 1.00 17.25 C ATOM 2558 CG LEU C 61 89.792 10.222 -0.689 1.00 21.08 C ATOM 2559 CD1 LEU C 61 88.368 10.672 -0.354 1.00 25.44 C ATOM 2560 CD2 LEU C 61 90.218 10.879 -1.962 1.00 21.71 C ATOM 2561 H LEU C 61 92.325 10.028 2.798 1.00 0.00 H ATOM 2562 N HIS C 62 89.734 7.434 1.740 1.00 13.53 N ATOM 2563 CA HIS C 62 89.815 5.999 1.548 1.00 15.30 C ATOM 2564 C HIS C 62 89.022 5.674 0.293 1.00 17.55 C ATOM 2565 O HIS C 62 87.885 6.120 0.148 1.00 18.32 O ATOM 2566 CB HIS C 62 89.216 5.238 2.733 1.00 16.77 C ATOM 2567 CG HIS C 62 89.980 5.367 4.006 1.00 14.78 C ATOM 2568 ND1 HIS C 62 89.963 6.511 4.781 1.00 20.28 N ATOM 2569 CD2 HIS C 62 90.733 4.466 4.675 1.00 15.49 C ATOM 2570 CE1 HIS C 62 90.700 6.315 5.861 1.00 19.25 C ATOM 2571 NE2 HIS C 62 91.188 5.083 5.816 1.00 19.93 N ATOM 2572 H HIS C 62 88.830 7.837 2.059 1.00 0.00 H ATOM 2573 N SER C 63 89.613 4.898 -0.599 1.00 19.11 N ATOM 2574 CA SER C 63 88.930 4.530 -1.820 1.00 25.24 C ATOM 2575 C SER C 63 89.296 3.102 -2.180 1.00 20.33 C ATOM 2576 O SER C 63 90.417 2.658 -1.942 1.00 18.93 O ATOM 2577 CB SER C 63 89.309 5.461 -2.970 1.00 33.33 C ATOM 2578 OG SER C 63 88.477 5.202 -4.085 1.00 35.73 O ATOM 2579 HG SER C 63 88.593 4.261 -4.371 1.00 0.00 H ATOM 2580 H SER C 63 90.577 4.549 -0.422 1.00 0.00 H ATOM 2581 N ILE C 64 88.340 2.376 -2.747 1.00 24.43 N ATOM 2582 CA ILE C 64 88.630 1.066 -3.319 1.00 25.27 C ATOM 2583 C ILE C 64 89.054 1.342 -4.756 1.00 27.97 C ATOM 2584 O ILE C 64 88.219 1.598 -5.615 1.00 28.20 O ATOM 2585 CB ILE C 64 87.429 0.128 -3.247 1.00 23.08 C ATOM 2586 CG1 ILE C 64 87.026 -0.113 -1.795 1.00 25.13 C ATOM 2587 CG2 ILE C 64 87.744 -1.189 -3.962 1.00 26.98 C ATOM 2588 CD1 ILE C 64 85.676 -0.795 -1.632 1.00 31.30 C ATOM 2589 H ILE C 64 87.369 2.747 -2.784 1.00 0.00 H ATOM 2590 N GLY C 65 90.355 1.343 -5.001 1.00 28.10 N ATOM 2591 CA GLY C 65 90.892 1.856 -6.248 1.00 39.00 C ATOM 2592 C GLY C 65 90.677 3.361 -6.424 1.00 40.99 C ATOM 2593 O GLY C 65 90.134 4.070 -5.570 1.00 34.12 O ATOM 2594 H GLY C 65 91.007 0.968 -4.283 1.00 0.00 H ATOM 2595 N LYS C 66 91.101 3.845 -7.589 1.00 37.05 N ATOM 2596 CA LYS C 66 91.091 5.271 -7.904 1.00 37.24 C ATOM 2597 C LYS C 66 92.075 6.049 -7.034 1.00 35.72 C ATOM 2598 O LYS C 66 91.918 7.258 -6.836 1.00 36.90 O ATOM 2599 CB LYS C 66 89.678 5.854 -7.772 1.00 31.05 C ATOM 2600 H LYS C 66 91.455 3.179 -8.306 1.00 0.00 H ATOM 2601 N ILE C 67 93.090 5.365 -6.507 1.00 33.81 N ATOM 2602 CA ILE C 67 94.163 5.976 -5.728 1.00 29.98 C ATOM 2603 C ILE C 67 95.469 5.793 -6.492 1.00 35.51 C ATOM 2604 O ILE C 67 95.767 4.690 -6.963 1.00 40.14 O ATOM 2605 CB ILE C 67 94.256 5.342 -4.326 1.00 30.29 C ATOM 2606 CG1 ILE C 67 93.019 5.702 -3.508 1.00 29.22 C ATOM 2607 CG2 ILE C 67 95.570 5.737 -3.612 1.00 29.32 C ATOM 2608 CD1 ILE C 67 93.001 7.167 -2.968 1.00 37.54 C ATOM 2609 H ILE C 67 93.119 4.337 -6.659 1.00 0.00 H ATOM 2610 N GLY C 68 96.252 6.861 -6.593 1.00 28.50 N ATOM 2611 CA GLY C 68 97.559 6.789 -7.229 1.00 34.18 C ATOM 2612 C GLY C 68 98.194 8.164 -7.316 1.00 29.87 C ATOM 2613 O GLY C 68 97.609 9.175 -6.922 1.00 27.49 O ATOM 2614 H GLY C 68 95.924 7.770 -6.209 1.00 0.00 H ATOM 2615 N GLY C 69 99.412 8.191 -7.846 1.00 30.27 N ATOM 2616 CA GLY C 69 100.199 9.411 -7.847 1.00 22.62 C ATOM 2617 C GLY C 69 99.481 10.620 -8.403 1.00 29.00 C ATOM 2618 O GLY C 69 99.299 11.639 -7.712 1.00 20.96 O ATOM 2619 H GLY C 69 99.807 7.326 -8.266 1.00 0.00 H ATOM 2620 N ALA C 70 99.057 10.522 -9.665 1.00 25.24 N ATOM 2621 CA ALA C 70 98.457 11.680 -10.329 1.00 27.54 C ATOM 2622 C ALA C 70 97.058 11.955 -9.788 1.00 22.99 C ATOM 2623 O ALA C 70 96.673 13.119 -9.577 1.00 21.85 O ATOM 2624 CB ALA C 70 98.430 11.456 -11.846 1.00 30.63 C ATOM 2625 H ALA C 70 99.153 9.622 -10.177 1.00 0.00 H ATOM 2626 N GLN C 71 96.301 10.894 -9.522 1.00 22.56 N ATOM 2627 CA GLN C 71 94.973 11.053 -8.959 1.00 25.81 C ATOM 2628 C GLN C 71 95.046 11.765 -7.617 1.00 19.71 C ATOM 2629 O GLN C 71 94.259 12.679 -7.342 1.00 19.94 O ATOM 2630 CB GLN C 71 94.308 9.686 -8.819 1.00 27.32 C ATOM 2631 CG GLN C 71 93.912 9.072 -10.177 1.00 43.92 C ATOM 2632 CD GLN C 71 93.500 7.600 -10.109 1.00 53.44 C ATOM 2633 OE1 GLN C 71 92.317 7.259 -10.275 1.00 41.01 O ATOM 2634 NE2 GLN C 71 94.485 6.717 -9.904 1.00 43.69 N ATOM 2635 HE22 GLN C 71 95.461 7.049 -9.770 1.00 0.00 H ATOM 2636 HE21 GLN C 71 94.274 5.699 -9.879 1.00 0.00 H ATOM 2637 H GLN C 71 96.665 9.940 -9.720 1.00 0.00 H ATOM 2638 N ASN C 72 96.004 11.371 -6.777 1.00 19.99 N ATOM 2639 CA ASN C 72 96.080 11.965 -5.448 1.00 21.07 C ATOM 2640 C ASN C 72 96.486 13.429 -5.530 1.00 19.75 C ATOM 2641 O ASN C 72 96.024 14.248 -4.728 1.00 15.55 O ATOM 2642 CB ASN C 72 97.069 11.196 -4.565 1.00 16.02 C ATOM 2643 CG ASN C 72 96.627 9.758 -4.272 1.00 16.90 C ATOM 2644 OD1 ASN C 72 95.507 9.354 -4.576 1.00 19.33 O ATOM 2645 ND2 ASN C 72 97.523 8.984 -3.638 1.00 20.39 N ATOM 2646 HD22 ASN C 72 98.461 9.364 -3.398 1.00 0.00 H ATOM 2647 HD21 ASN C 72 97.279 8.005 -3.387 1.00 0.00 H ATOM 2648 H ASN C 72 96.691 10.646 -7.068 1.00 0.00 H ATOM 2649 N ARG C 73 97.373 13.788 -6.471 1.00 18.48 N ATOM 2650 CA ARG C 73 97.681 15.208 -6.620 1.00 19.50 C ATOM 2651 C ARG C 73 96.422 15.970 -7.009 1.00 19.76 C ATOM 2652 O ARG C 73 96.157 17.057 -6.488 1.00 17.53 O ATOM 2653 CB ARG C 73 98.813 15.432 -7.634 1.00 20.94 C ATOM 2654 CG ARG C 73 100.202 14.933 -7.138 1.00 20.59 C ATOM 2655 CD ARG C 73 101.374 15.227 -8.108 1.00 29.68 C ATOM 2656 NE ARG C 73 101.299 14.416 -9.325 1.00 40.02 N ATOM 2657 CZ ARG C 73 101.810 13.189 -9.443 1.00 36.75 C ATOM 2658 HE ARG C 73 100.816 14.823 -10.151 1.00 0.00 H ATOM 2659 H ARG C 73 97.828 13.076 -7.077 1.00 0.00 H ATOM 2660 N SER C 74 95.615 15.389 -7.898 1.00 21.13 N ATOM 2661 CA SER C 74 94.371 16.031 -8.314 1.00 18.33 C ATOM 2662 C SER C 74 93.382 16.179 -7.151 1.00 20.03 C ATOM 2663 O SER C 74 92.781 17.253 -6.973 1.00 17.72 O ATOM 2664 CB SER C 74 93.748 15.238 -9.462 1.00 22.28 C ATOM 2665 OG SER C 74 92.564 15.876 -9.876 1.00 33.94 O ATOM 2666 HG SER C 74 92.775 16.794 -10.181 1.00 0.00 H ATOM 2667 H SER C 74 95.875 14.466 -8.300 1.00 0.00 H ATOM 2668 N TYR C 75 93.185 15.109 -6.364 1.00 18.41 N ATOM 2669 CA TYR C 75 92.328 15.186 -5.180 1.00 17.44 C ATOM 2670 C TYR C 75 92.813 16.248 -4.208 1.00 16.07 C ATOM 2671 O TYR C 75 92.004 16.951 -3.590 1.00 16.41 O ATOM 2672 CB TYR C 75 92.288 13.853 -4.445 1.00 16.95 C ATOM 2673 CG TYR C 75 91.739 12.693 -5.223 1.00 19.86 C ATOM 2674 CD1 TYR C 75 90.855 12.887 -6.268 1.00 28.19 C ATOM 2675 CD2 TYR C 75 92.136 11.397 -4.929 1.00 20.81 C ATOM 2676 CE1 TYR C 75 90.369 11.826 -6.994 1.00 31.88 C ATOM 2677 CE2 TYR C 75 91.653 10.321 -5.656 1.00 22.34 C ATOM 2678 CZ TYR C 75 90.773 10.546 -6.681 1.00 35.57 C ATOM 2679 OH TYR C 75 90.293 9.484 -7.403 1.00 31.40 O ATOM 2680 HH TYR C 75 91.049 9.008 -7.829 1.00 0.00 H ATOM 2681 H TYR C 75 93.650 14.209 -6.600 1.00 0.00 H ATOM 2682 N SER C 76 94.127 16.328 -4.001 1.00 16.76 N ATOM 2683 CA SER C 76 94.633 17.319 -3.063 1.00 16.68 C ATOM 2684 C SER C 76 94.310 18.727 -3.530 1.00 16.37 C ATOM 2685 O SER C 76 93.927 19.579 -2.725 1.00 15.21 O ATOM 2686 CB SER C 76 96.134 17.139 -2.861 1.00 19.57 C ATOM 2687 OG SER C 76 96.415 15.871 -2.283 1.00 16.97 O ATOM 2688 HG SER C 76 96.084 15.156 -2.882 1.00 0.00 H ATOM 2689 H SER C 76 94.780 15.692 -4.502 1.00 0.00 H ATOM 2690 N LYS C 77 94.468 19.000 -4.826 1.00 16.84 N ATOM 2691 CA LYS C 77 94.103 20.319 -5.339 1.00 16.27 C ATOM 2692 C LYS C 77 92.621 20.606 -5.107 1.00 15.06 C ATOM 2693 O LYS C 77 92.238 21.677 -4.606 1.00 18.82 O ATOM 2694 CB LYS C 77 94.436 20.408 -6.830 1.00 18.06 C ATOM 2695 CG LYS C 77 94.241 21.811 -7.402 1.00 17.72 C ATOM 2696 CD LYS C 77 94.508 21.809 -8.916 1.00 23.73 C ATOM 2697 H LYS C 77 94.849 18.277 -5.469 1.00 0.00 H ATOM 2698 N LEU C 78 91.777 19.645 -5.454 1.00 17.63 N ATOM 2699 CA LEU C 78 90.335 19.789 -5.283 1.00 17.79 C ATOM 2700 C LEU C 78 89.967 20.021 -3.832 1.00 15.68 C ATOM 2701 O LEU C 78 89.205 20.937 -3.503 1.00 16.57 O ATOM 2702 CB LEU C 78 89.644 18.525 -5.780 1.00 16.78 C ATOM 2703 CG LEU C 78 88.160 18.415 -5.482 1.00 18.79 C ATOM 2704 CD1 LEU C 78 87.402 19.410 -6.355 1.00 26.49 C ATOM 2705 CD2 LEU C 78 87.683 16.978 -5.649 1.00 30.00 C ATOM 2706 H LEU C 78 92.153 18.764 -5.859 1.00 0.00 H ATOM 2707 N LEU C 79 90.478 19.165 -2.946 1.00 14.09 N ATOM 2708 CA LEU C 79 90.030 19.181 -1.559 1.00 13.42 C ATOM 2709 C LEU C 79 90.632 20.354 -0.799 1.00 14.57 C ATOM 2710 O LEU C 79 89.928 21.016 -0.020 1.00 13.78 O ATOM 2711 CB LEU C 79 90.362 17.839 -0.902 1.00 12.84 C ATOM 2712 CG LEU C 79 89.646 16.628 -1.494 1.00 15.66 C ATOM 2713 CD1 LEU C 79 90.313 15.326 -1.040 1.00 21.15 C ATOM 2714 CD2 LEU C 79 88.125 16.634 -1.122 1.00 20.95 C ATOM 2715 H LEU C 79 91.201 18.481 -3.247 1.00 0.00 H ATOM 2716 N CYS C 80 91.914 20.681 -1.032 1.00 14.31 N ATOM 2717 CA CYS C 80 92.437 21.903 -0.426 1.00 17.79 C ATOM 2718 C CYS C 80 91.681 23.126 -0.943 1.00 16.65 C ATOM 2719 O CYS C 80 91.450 24.081 -0.194 1.00 17.49 O ATOM 2720 CB CYS C 80 93.937 22.067 -0.701 1.00 18.97 C ATOM 2721 SG CYS C 80 95.011 20.880 0.163 1.00 15.69 S ATOM 2722 H CYS C 80 92.518 20.080 -1.628 1.00 0.00 H ATOM 2723 N GLY C 81 91.312 23.129 -2.228 1.00 20.91 N ATOM 2724 CA GLY C 81 90.507 24.228 -2.753 1.00 19.55 C ATOM 2725 C GLY C 81 89.198 24.405 -2.011 1.00 13.21 C ATOM 2726 O GLY C 81 88.816 25.530 -1.647 1.00 16.57 O ATOM 2727 H GLY C 81 91.598 22.349 -2.853 1.00 0.00 H ATOM 2728 N LEU C 82 88.523 23.295 -1.710 1.00 15.59 N ATOM 2729 CA LEU C 82 87.243 23.364 -1.022 1.00 17.98 C ATOM 2730 C LEU C 82 87.427 23.792 0.430 1.00 18.63 C ATOM 2731 O LEU C 82 86.640 24.589 0.955 1.00 17.46 O ATOM 2732 CB LEU C 82 86.531 22.008 -1.120 1.00 18.11 C ATOM 2733 CG LEU C 82 85.911 21.686 -2.474 1.00 27.84 C ATOM 2734 CD1 LEU C 82 85.628 20.190 -2.628 1.00 28.37 C ATOM 2735 CD2 LEU C 82 84.615 22.476 -2.608 1.00 27.04 C ATOM 2736 H LEU C 82 88.917 22.368 -1.970 1.00 0.00 H ATOM 2737 N LEU C 83 88.493 23.314 1.089 1.00 15.62 N ATOM 2738 CA LEU C 83 88.712 23.714 2.470 1.00 18.35 C ATOM 2739 C LEU C 83 89.098 25.190 2.568 1.00 14.68 C ATOM 2740 O LEU C 83 88.760 25.855 3.555 1.00 17.86 O ATOM 2741 CB LEU C 83 89.785 22.823 3.102 1.00 15.00 C ATOM 2742 CG LEU C 83 89.449 21.346 3.232 1.00 14.92 C ATOM 2743 CD1 LEU C 83 90.686 20.547 3.616 1.00 21.16 C ATOM 2744 CD2 LEU C 83 88.332 21.188 4.231 1.00 17.06 C ATOM 2745 H LEU C 83 89.155 22.665 0.618 1.00 0.00 H ATOM 2746 N ALA C 84 89.826 25.696 1.583 1.00 14.73 N ATOM 2747 CA ALA C 84 90.193 27.111 1.551 1.00 13.67 C ATOM 2748 C ALA C 84 88.972 27.984 1.317 1.00 19.72 C ATOM 2749 O ALA C 84 88.718 28.948 2.058 1.00 20.00 O ATOM 2750 CB ALA C 84 91.229 27.349 0.455 1.00 18.11 C ATOM 2751 H ALA C 84 90.144 25.072 0.814 1.00 0.00 H ATOM 2752 N GLU C 85 88.190 27.637 0.309 1.00 18.75 N ATOM 2753 CA GLU C 85 87.019 28.441 -0.054 1.00 22.91 C ATOM 2754 C GLU C 85 85.933 28.402 1.022 1.00 18.16 C ATOM 2755 O GLU C 85 85.357 29.439 1.386 1.00 18.54 O ATOM 2756 CB GLU C 85 86.475 27.935 -1.390 1.00 18.13 C ATOM 2757 CG GLU C 85 85.158 28.564 -1.862 1.00 30.03 C ATOM 2758 CD GLU C 85 84.651 27.915 -3.163 1.00 38.57 C ATOM 2759 OE1 GLU C 85 84.071 28.631 -3.991 1.00 44.98 O ATOM 2760 OE2 GLU C 85 84.846 26.683 -3.359 1.00 47.71 O ATOM 2761 H GLU C 85 88.409 26.779 -0.236 1.00 0.00 H ATOM 2762 N ARG C 86 85.624 27.221 1.539 1.00 14.82 N ATOM 2763 CA ARG C 86 84.492 27.098 2.456 1.00 13.92 C ATOM 2764 C ARG C 86 84.849 27.242 3.925 1.00 19.79 C ATOM 2765 O ARG C 86 84.043 27.782 4.685 1.00 16.01 O ATOM 2766 CB ARG C 86 83.778 25.761 2.264 1.00 19.35 C ATOM 2767 CG ARG C 86 83.326 25.510 0.831 1.00 18.13 C ATOM 2768 CD ARG C 86 82.375 26.617 0.331 1.00 22.13 C ATOM 2769 NE ARG C 86 81.811 26.255 -0.972 1.00 24.66 N ATOM 2770 CZ ARG C 86 81.239 27.112 -1.810 1.00 32.24 C ATOM 2771 NH1 ARG C 86 81.143 28.397 -1.488 1.00 27.21 N ATOM 2772 NH2 ARG C 86 80.769 26.690 -2.974 1.00 30.55 N ATOM 2773 HE ARG C 86 81.862 25.257 -1.261 1.00 0.00 H ATOM 2774 HH12 ARG C 86 80.695 29.066 -2.146 1.00 0.00 H ATOM 2775 HH11 ARG C 86 81.516 28.734 -0.578 1.00 0.00 H ATOM 2776 HH22 ARG C 86 80.321 27.363 -3.629 1.00 0.00 H ATOM 2777 HH21 ARG C 86 80.847 25.686 -3.233 1.00 0.00 H ATOM 2778 H ARG C 86 86.187 26.382 1.292 1.00 0.00 H ATOM 2779 N LEU C 87 86.004 26.738 4.369 1.00 19.27 N ATOM 2780 CA LEU C 87 86.381 26.819 5.775 1.00 17.70 C ATOM 2781 C LEU C 87 87.513 27.803 6.032 1.00 16.41 C ATOM 2782 O LEU C 87 87.879 27.993 7.199 1.00 19.81 O ATOM 2783 CB LEU C 87 86.784 25.430 6.310 1.00 13.97 C ATOM 2784 CG LEU C 87 85.755 24.301 6.191 1.00 18.10 C ATOM 2785 CD1 LEU C 87 86.173 23.011 6.874 1.00 19.50 C ATOM 2786 CD2 LEU C 87 84.409 24.791 6.717 1.00 22.34 C ATOM 2787 H LEU C 87 86.649 26.277 3.696 1.00 0.00 H ATOM 2788 N ARG C 88 88.071 28.417 4.978 1.00 15.89 N ATOM 2789 CA ARG C 88 89.112 29.459 5.078 1.00 20.56 C ATOM 2790 C ARG C 88 90.389 28.909 5.699 1.00 20.74 C ATOM 2791 O ARG C 88 91.097 29.594 6.442 1.00 17.57 O ATOM 2792 CB ARG C 88 88.613 30.694 5.845 1.00 25.54 C ATOM 2793 CG ARG C 88 87.248 31.253 5.385 1.00 26.52 C ATOM 2794 CD ARG C 88 86.967 31.129 3.894 1.00 36.06 C ATOM 2795 NE ARG C 88 87.686 32.078 3.050 1.00 46.97 N ATOM 2796 CZ ARG C 88 87.593 32.091 1.720 1.00 34.56 C ATOM 2797 HE ARG C 88 88.302 32.779 3.509 1.00 0.00 H ATOM 2798 H ARG C 88 87.749 28.141 4.028 1.00 0.00 H ATOM 2799 N ILE C 89 90.709 27.673 5.349 1.00 16.10 N ATOM 2800 CA ILE C 89 91.920 27.010 5.808 1.00 17.65 C ATOM 2801 C ILE C 89 92.948 27.058 4.696 1.00 13.63 C ATOM 2802 O ILE C 89 92.667 26.628 3.565 1.00 15.73 O ATOM 2803 CB ILE C 89 91.651 25.550 6.197 1.00 15.53 C ATOM 2804 CG1 ILE C 89 90.567 25.457 7.250 1.00 15.10 C ATOM 2805 CG2 ILE C 89 92.971 24.882 6.660 1.00 14.03 C ATOM 2806 CD1 ILE C 89 90.040 24.009 7.412 1.00 15.44 C ATOM 2807 H ILE C 89 90.066 27.153 4.718 1.00 0.00 H ATOM 2808 N SER C 90 94.150 27.533 5.023 1.00 13.92 N ATOM 2809 CA SER C 90 95.204 27.619 4.027 1.00 16.88 C ATOM 2810 C SER C 90 95.600 26.219 3.558 1.00 16.02 C ATOM 2811 O SER C 90 95.775 25.315 4.385 1.00 16.63 O ATOM 2812 CB SER C 90 96.423 28.343 4.605 1.00 18.19 C ATOM 2813 OG SER C 90 97.432 28.480 3.630 1.00 15.45 O ATOM 2814 HG SER C 90 98.209 28.950 4.025 1.00 0.00 H ATOM 2815 H SER C 90 94.334 27.844 5.998 1.00 0.00 H ATOM 2816 N PRO C 91 95.774 26.007 2.250 1.00 13.61 N ATOM 2817 CA PRO C 91 96.224 24.678 1.786 1.00 13.60 C ATOM 2818 C PRO C 91 97.516 24.207 2.412 1.00 13.34 C ATOM 2819 O PRO C 91 97.712 22.995 2.552 1.00 15.05 O ATOM 2820 CB PRO C 91 96.382 24.868 0.278 1.00 15.46 C ATOM 2821 CG PRO C 91 95.331 25.917 -0.017 1.00 19.08 C ATOM 2822 CD PRO C 91 95.398 26.871 1.121 1.00 20.15 C ATOM 2823 N ASP C 92 98.411 25.114 2.790 1.00 14.18 N ATOM 2824 CA ASP C 92 99.658 24.674 3.394 1.00 13.78 C ATOM 2825 C ASP C 92 99.518 24.370 4.883 1.00 16.43 C ATOM 2826 O ASP C 92 100.530 24.088 5.550 1.00 16.11 O ATOM 2827 CB ASP C 92 100.782 25.692 3.137 1.00 15.45 C ATOM 2828 CG ASP C 92 100.548 27.035 3.766 1.00 21.64 C ATOM 2829 OD1 ASP C 92 99.604 27.230 4.552 1.00 18.68 O ATOM 2830 OD2 ASP C 92 101.359 27.937 3.467 1.00 23.18 O ATOM 2831 H ASP C 92 98.221 26.128 2.655 1.00 0.00 H ATOM 2832 N ARG C 93 98.286 24.360 5.399 1.00 13.96 N ATOM 2833 CA ARG C 93 97.981 23.875 6.737 1.00 12.61 C ATOM 2834 C ARG C 93 96.993 22.711 6.681 1.00 14.88 C ATOM 2835 O ARG C 93 96.221 22.496 7.608 1.00 13.46 O ATOM 2836 CB ARG C 93 97.474 25.010 7.619 1.00 12.48 C ATOM 2837 CG ARG C 93 98.561 26.056 7.876 1.00 16.24 C ATOM 2838 CD ARG C 93 98.074 27.193 8.791 1.00 16.67 C ATOM 2839 NE ARG C 93 97.664 26.737 10.118 1.00 16.50 N ATOM 2840 CZ ARG C 93 98.504 26.290 11.043 1.00 14.57 C ATOM 2841 NH1 ARG C 93 99.817 26.233 10.802 1.00 14.27 N ATOM 2842 NH2 ARG C 93 98.027 25.851 12.187 1.00 12.60 N ATOM 2843 HE ARG C 93 96.651 26.765 10.352 1.00 0.00 H ATOM 2844 HH12 ARG C 93 100.465 25.881 11.535 1.00 0.00 H ATOM 2845 HH11 ARG C 93 100.191 26.541 9.882 1.00 0.00 H ATOM 2846 HH22 ARG C 93 98.675 25.498 12.920 1.00 0.00 H ATOM 2847 HH21 ARG C 93 97.001 25.857 12.359 1.00 0.00 H ATOM 2848 H ARG C 93 97.504 24.717 4.814 1.00 0.00 H ATOM 2849 N VAL C 94 97.070 21.908 5.625 1.00 15.20 N ATOM 2850 CA VAL C 94 96.214 20.749 5.430 1.00 15.05 C ATOM 2851 C VAL C 94 97.091 19.549 5.115 1.00 14.26 C ATOM 2852 O VAL C 94 97.951 19.636 4.233 1.00 14.19 O ATOM 2853 CB VAL C 94 95.219 20.969 4.267 1.00 12.62 C ATOM 2854 CG1 VAL C 94 94.426 19.693 3.991 1.00 13.57 C ATOM 2855 CG2 VAL C 94 94.283 22.158 4.536 1.00 16.60 C ATOM 2856 H VAL C 94 97.782 22.120 4.898 1.00 0.00 H ATOM 2857 N TYR C 95 96.870 18.432 5.817 1.00 14.55 N ATOM 2858 CA TYR C 95 97.370 17.128 5.390 1.00 13.07 C ATOM 2859 C TYR C 95 96.194 16.238 5.020 1.00 13.12 C ATOM 2860 O TYR C 95 95.145 16.268 5.673 1.00 15.09 O ATOM 2861 CB TYR C 95 98.194 16.418 6.489 1.00 14.44 C ATOM 2862 CG TYR C 95 99.535 17.017 6.764 1.00 13.41 C ATOM 2863 CD1 TYR C 95 100.365 17.452 5.737 1.00 12.23 C ATOM 2864 CD2 TYR C 95 99.997 17.148 8.069 1.00 15.29 C ATOM 2865 CE1 TYR C 95 101.596 17.998 6.015 1.00 13.28 C ATOM 2866 CE2 TYR C 95 101.230 17.679 8.332 1.00 19.02 C ATOM 2867 CZ TYR C 95 102.027 18.099 7.310 1.00 21.19 C ATOM 2868 OH TYR C 95 103.262 18.650 7.587 1.00 18.94 O ATOM 2869 HH TYR C 95 103.144 19.456 8.149 1.00 0.00 H ATOM 2870 H TYR C 95 96.322 18.494 6.699 1.00 0.00 H ATOM 2871 N ILE C 96 96.365 15.448 3.961 1.00 13.26 N ATOM 2872 CA ILE C 96 95.377 14.461 3.534 1.00 12.73 C ATOM 2873 C ILE C 96 96.082 13.115 3.386 1.00 17.25 C ATOM 2874 O ILE C 96 96.980 12.983 2.550 1.00 17.91 O ATOM 2875 CB ILE C 96 94.719 14.844 2.203 1.00 12.62 C ATOM 2876 CG1 ILE C 96 94.090 16.219 2.271 1.00 17.12 C ATOM 2877 CG2 ILE C 96 93.654 13.788 1.815 1.00 19.75 C ATOM 2878 CD1 ILE C 96 93.839 16.790 0.914 1.00 20.63 C ATOM 2879 H ILE C 96 97.244 15.538 3.412 1.00 0.00 H ATOM 2880 N ASN C 97 95.650 12.106 4.151 1.00 15.82 N ATOM 2881 CA ASN C 97 96.188 10.759 3.993 1.00 16.70 C ATOM 2882 C ASN C 97 95.306 9.977 3.026 1.00 16.00 C ATOM 2883 O ASN C 97 94.096 9.904 3.224 1.00 15.00 O ATOM 2884 CB ASN C 97 96.251 10.040 5.335 1.00 15.40 C ATOM 2885 CG ASN C 97 97.315 10.601 6.251 1.00 18.50 C ATOM 2886 OD1 ASN C 97 97.318 11.782 6.580 1.00 33.09 O ATOM 2887 ND2 ASN C 97 98.206 9.756 6.674 1.00 25.29 N ATOM 2888 HD22 ASN C 97 98.166 8.762 6.370 1.00 0.00 H ATOM 2889 HD21 ASN C 97 98.959 10.073 7.317 1.00 0.00 H ATOM 2890 H ASN C 97 94.919 12.285 4.869 1.00 0.00 H ATOM 2891 N TYR C 98 95.917 9.383 1.992 1.00 15.20 N ATOM 2892 CA TYR C 98 95.192 8.580 1.012 1.00 16.15 C ATOM 2893 C TYR C 98 95.417 7.107 1.275 1.00 16.40 C ATOM 2894 O TYR C 98 96.554 6.673 1.508 1.00 15.32 O ATOM 2895 CB TYR C 98 95.641 8.902 -0.421 1.00 15.99 C ATOM 2896 CG TYR C 98 95.346 10.323 -0.769 1.00 18.79 C ATOM 2897 CD1 TYR C 98 94.056 10.690 -1.172 1.00 17.61 C ATOM 2898 CD2 TYR C 98 96.300 11.306 -0.658 1.00 15.43 C ATOM 2899 CE1 TYR C 98 93.744 11.984 -1.476 1.00 17.93 C ATOM 2900 CE2 TYR C 98 95.981 12.631 -0.977 1.00 15.13 C ATOM 2901 CZ TYR C 98 94.692 12.953 -1.382 1.00 14.88 C ATOM 2902 OH TYR C 98 94.303 14.246 -1.695 1.00 17.48 O ATOM 2903 HH TYR C 98 94.853 14.582 -2.446 1.00 0.00 H ATOM 2904 H TYR C 98 96.945 9.498 1.884 1.00 0.00 H ATOM 2905 N TYR C 99 94.333 6.337 1.184 1.00 14.79 N ATOM 2906 CA TYR C 99 94.360 4.893 1.437 1.00 14.66 C ATOM 2907 C TYR C 99 93.663 4.172 0.292 1.00 17.61 C ATOM 2908 O TYR C 99 92.485 4.421 0.036 1.00 18.11 O ATOM 2909 CB TYR C 99 93.673 4.543 2.759 1.00 16.11 C ATOM 2910 CG TYR C 99 94.300 5.232 3.951 1.00 16.05 C ATOM 2911 CD1 TYR C 99 95.431 4.710 4.570 1.00 22.81 C ATOM 2912 CD2 TYR C 99 93.773 6.429 4.438 1.00 17.59 C ATOM 2913 CE1 TYR C 99 96.021 5.372 5.668 1.00 19.73 C ATOM 2914 CE2 TYR C 99 94.354 7.081 5.540 1.00 22.05 C ATOM 2915 CZ TYR C 99 95.469 6.536 6.140 1.00 19.54 C ATOM 2916 OH TYR C 99 96.048 7.179 7.207 1.00 18.57 O ATOM 2917 HH TYR C 99 96.832 6.660 7.518 1.00 0.00 H ATOM 2918 H TYR C 99 93.429 6.779 0.922 1.00 0.00 H ATOM 2919 N ASP C 100 94.378 3.257 -0.359 1.00 19.69 N ATOM 2920 CA ASP C 100 93.791 2.345 -1.335 1.00 18.84 C ATOM 2921 C ASP C 100 93.356 1.083 -0.602 1.00 19.87 C ATOM 2922 O ASP C 100 94.199 0.292 -0.168 1.00 18.87 O ATOM 2923 CB ASP C 100 94.789 2.023 -2.442 1.00 25.16 C ATOM 2924 CG ASP C 100 94.161 1.255 -3.608 1.00 34.48 C ATOM 2925 OD1 ASP C 100 92.968 0.882 -3.544 1.00 30.37 O ATOM 2926 OD2 ASP C 100 94.886 1.031 -4.602 1.00 37.09 O ATOM 2927 H ASP C 100 95.397 3.189 -0.164 1.00 0.00 H ATOM 2928 N MET C 101 92.035 0.915 -0.441 1.00 19.79 N ATOM 2929 CA MET C 101 91.486 -0.201 0.312 1.00 20.63 C ATOM 2930 C MET C 101 91.231 -1.390 -0.603 1.00 21.18 C ATOM 2931 O MET C 101 90.679 -1.248 -1.699 1.00 21.12 O ATOM 2932 CB MET C 101 90.177 0.192 1.006 1.00 24.12 C ATOM 2933 CG MET C 101 90.335 1.315 2.003 1.00 20.75 C ATOM 2934 SD MET C 101 91.370 0.893 3.421 1.00 21.86 S ATOM 2935 CE MET C 101 90.584 -0.570 4.068 1.00 23.25 C ATOM 2936 H MET C 101 91.384 1.604 -0.868 1.00 0.00 H ATOM 2937 N ASN C 102 91.622 -2.562 -0.129 1.00 19.82 N ATOM 2938 CA ASN C 102 91.187 -3.800 -0.753 1.00 19.20 C ATOM 2939 C ASN C 102 89.712 -4.017 -0.470 1.00 22.90 C ATOM 2940 O ASN C 102 89.223 -3.772 0.637 1.00 20.62 O ATOM 2941 CB ASN C 102 92.028 -4.972 -0.251 1.00 23.06 C ATOM 2942 CG ASN C 102 91.714 -6.277 -0.984 1.00 37.53 C ATOM 2943 OD1 ASN C 102 90.571 -6.543 -1.361 1.00 39.30 O ATOM 2944 ND2 ASN C 102 92.739 -7.092 -1.189 1.00 49.28 N ATOM 2945 HD22 ASN C 102 93.688 -6.829 -0.854 1.00 0.00 H ATOM 2946 HD21 ASN C 102 92.594 -7.995 -1.685 1.00 0.00 H ATOM 2947 H ASN C 102 92.248 -2.597 0.700 1.00 0.00 H ATOM 2948 N ALA C 103 88.982 -4.421 -1.509 1.00 21.37 N ATOM 2949 CA ALA C 103 87.545 -4.605 -1.367 1.00 21.10 C ATOM 2950 C ALA C 103 87.216 -5.623 -0.282 1.00 18.85 C ATOM 2951 O ALA C 103 86.190 -5.497 0.396 1.00 22.53 O ATOM 2952 CB ALA C 103 86.935 -5.031 -2.705 1.00 27.80 C ATOM 2953 H ALA C 103 89.440 -4.605 -2.424 1.00 0.00 H ATOM 2954 N ALA C 104 88.060 -6.640 -0.110 1.00 23.28 N ATOM 2955 CA ALA C 104 87.830 -7.618 0.945 1.00 25.06 C ATOM 2956 C ALA C 104 87.966 -7.009 2.330 1.00 23.42 C ATOM 2957 O ALA C 104 87.531 -7.624 3.310 1.00 24.50 O ATOM 2958 CB ALA C 104 88.800 -8.783 0.796 1.00 28.15 C ATOM 2959 H ALA C 104 88.888 -6.736 -0.733 1.00 0.00 H ATOM 2960 N ASN C 105 88.551 -5.813 2.432 1.00 19.04 N ATOM 2961 CA ASN C 105 88.774 -5.173 3.721 1.00 17.39 C ATOM 2962 C ASN C 105 87.813 -4.005 3.970 1.00 21.45 C ATOM 2963 O ASN C 105 88.051 -3.181 4.869 1.00 17.32 O ATOM 2964 CB ASN C 105 90.228 -4.726 3.809 1.00 20.75 C ATOM 2965 CG ASN C 105 91.193 -5.895 3.919 1.00 28.18 C ATOM 2966 OD1 ASN C 105 90.826 -6.985 4.358 1.00 28.50 O ATOM 2967 ND2 ASN C 105 92.432 -5.676 3.505 1.00 27.17 N ATOM 2968 HD22 ASN C 105 92.701 -4.740 3.141 1.00 0.00 H ATOM 2969 HD21 ASN C 105 93.136 -6.440 3.544 1.00 0.00 H ATOM 2970 H ASN C 105 88.856 -5.325 1.566 1.00 0.00 H ATOM 2971 N VAL C 106 86.725 -3.928 3.202 1.00 18.34 N ATOM 2972 CA VAL C 106 85.667 -2.952 3.413 1.00 17.85 C ATOM 2973 C VAL C 106 84.365 -3.693 3.634 1.00 25.16 C ATOM 2974 O VAL C 106 83.857 -4.374 2.731 1.00 23.07 O ATOM 2975 CB VAL C 106 85.532 -1.972 2.238 1.00 19.69 C ATOM 2976 CG1 VAL C 106 84.393 -1.027 2.506 1.00 18.89 C ATOM 2977 CG2 VAL C 106 86.818 -1.199 2.071 1.00 23.03 C ATOM 2978 H VAL C 106 86.628 -4.599 2.413 1.00 0.00 H ATOM 2979 N GLY C 107 83.820 -3.549 4.828 1.00 19.64 N ATOM 2980 CA GLY C 107 82.554 -4.142 5.154 1.00 19.26 C ATOM 2981 C GLY C 107 81.411 -3.192 4.873 1.00 24.14 C ATOM 2982 O GLY C 107 81.502 -1.981 5.053 1.00 20.16 O ATOM 2983 H GLY C 107 84.320 -2.992 5.550 1.00 0.00 H ATOM 2984 N TRP C 108 80.306 -3.775 4.446 1.00 21.90 N ATOM 2985 CA TRP C 108 79.131 -2.991 4.121 1.00 20.58 C ATOM 2986 C TRP C 108 77.975 -3.960 3.988 1.00 18.85 C ATOM 2987 O TRP C 108 78.151 -5.053 3.452 1.00 22.45 O ATOM 2988 CB TRP C 108 79.342 -2.207 2.818 1.00 20.71 C ATOM 2989 CG TRP C 108 78.105 -1.540 2.327 1.00 20.88 C ATOM 2990 CD1 TRP C 108 77.533 -0.428 2.830 1.00 21.69 C ATOM 2991 CD2 TRP C 108 77.283 -1.956 1.222 1.00 23.42 C ATOM 2992 NE1 TRP C 108 76.400 -0.109 2.117 1.00 28.76 N ATOM 2993 CE2 TRP C 108 76.227 -1.039 1.126 1.00 28.19 C ATOM 2994 CE3 TRP C 108 77.338 -3.021 0.316 1.00 28.59 C ATOM 2995 CZ2 TRP C 108 75.223 -1.149 0.156 1.00 28.98 C ATOM 2996 CZ3 TRP C 108 76.337 -3.127 -0.653 1.00 29.16 C ATOM 2997 CH2 TRP C 108 75.302 -2.202 -0.716 1.00 21.58 C ATOM 2998 HE1 TRP C 108 75.778 0.704 2.300 1.00 0.00 H ATOM 2999 H TRP C 108 80.278 -4.809 4.342 1.00 0.00 H ATOM 3000 N ASN C 109 76.827 -3.572 4.519 1.00 18.27 N ATOM 3001 CA ASN C 109 75.581 -4.329 4.341 1.00 25.38 C ATOM 3002 C ASN C 109 75.750 -5.813 4.690 1.00 26.88 C ATOM 3003 O ASN C 109 75.419 -6.711 3.902 1.00 25.10 O ATOM 3004 CB ASN C 109 75.083 -4.166 2.910 1.00 25.46 C ATOM 3005 CG ASN C 109 73.612 -4.533 2.761 1.00 29.18 C ATOM 3006 OD1 ASN C 109 72.840 -4.430 3.704 1.00 29.48 O ATOM 3007 ND2 ASN C 109 73.231 -4.953 1.565 1.00 33.32 N ATOM 3008 HD22 ASN C 109 73.925 -5.024 0.793 1.00 0.00 H ATOM 3009 HD21 ASN C 109 72.238 -5.212 1.397 1.00 0.00 H ATOM 3010 H ASN C 109 76.806 -2.699 5.083 1.00 0.00 H ATOM 3011 N ASN C 110 76.251 -6.063 5.902 1.00 24.56 N ATOM 3012 CA ASN C 110 76.434 -7.390 6.497 1.00 26.07 C ATOM 3013 C ASN C 110 77.476 -8.249 5.801 1.00 25.23 C ATOM 3014 O ASN C 110 77.603 -9.428 6.130 1.00 29.14 O ATOM 3015 CB ASN C 110 75.106 -8.153 6.559 1.00 27.88 C ATOM 3016 CG ASN C 110 74.088 -7.442 7.416 1.00 30.25 C ATOM 3017 OD1 ASN C 110 74.392 -7.020 8.533 1.00 32.78 O ATOM 3018 ND2 ASN C 110 72.876 -7.279 6.897 1.00 43.78 N ATOM 3019 HD22 ASN C 110 72.662 -7.651 5.950 1.00 0.00 H ATOM 3020 HD21 ASN C 110 72.142 -6.779 7.438 1.00 0.00 H ATOM 3021 H ASN C 110 76.537 -5.243 6.475 1.00 0.00 H ATOM 3022 N SER C 111 78.248 -7.693 4.876 1.00 24.00 N ATOM 3023 CA SER C 111 79.245 -8.451 4.150 1.00 23.81 C ATOM 3024 C SER C 111 80.417 -7.521 3.842 1.00 28.63 C ATOM 3025 O SER C 111 80.622 -6.517 4.532 1.00 28.20 O ATOM 3026 CB SER C 111 78.610 -9.066 2.889 1.00 30.79 C ATOM 3027 OG SER C 111 79.516 -9.957 2.275 1.00 25.89 O ATOM 3028 HG SER C 111 79.098 -10.346 1.466 1.00 0.00 H ATOM 3029 H SER C 111 78.133 -6.681 4.666 1.00 0.00 H ATOM 3030 N THR C 112 81.212 -7.871 2.835 1.00 21.47 N ATOM 3031 CA THR C 112 82.249 -6.987 2.320 1.00 23.15 C ATOM 3032 C THR C 112 82.067 -6.853 0.817 1.00 31.53 C ATOM 3033 O THR C 112 81.185 -7.473 0.222 1.00 30.80 O ATOM 3034 CB THR C 112 83.663 -7.496 2.636 1.00 24.75 C ATOM 3035 OG1 THR C 112 83.927 -8.702 1.898 1.00 32.00 O ATOM 3036 CG2 THR C 112 83.838 -7.758 4.121 1.00 26.13 C ATOM 3037 HG1 THR C 112 84.840 -9.023 2.108 1.00 0.00 H ATOM 3038 H THR C 112 81.089 -8.808 2.400 1.00 0.00 H ATOM 3039 N PHE C 113 82.921 -6.050 0.192 1.00 30.17 N ATOM 3040 CA PHE C 113 82.824 -5.800 -1.240 1.00 27.98 C ATOM 3041 C PHE C 113 83.612 -6.811 -2.068 1.00 34.26 C ATOM 3042 O PHE C 113 83.619 -6.714 -3.298 1.00 41.11 O ATOM 3043 CB PHE C 113 83.299 -4.371 -1.560 1.00 28.09 C ATOM 3044 CG PHE C 113 82.288 -3.308 -1.223 1.00 31.69 C ATOM 3045 CD1 PHE C 113 81.115 -3.198 -1.945 1.00 37.17 C ATOM 3046 CD2 PHE C 113 82.510 -2.417 -0.188 1.00 20.29 C ATOM 3047 CE1 PHE C 113 80.177 -2.214 -1.638 1.00 37.54 C ATOM 3048 CE2 PHE C 113 81.582 -1.433 0.123 1.00 25.10 C ATOM 3049 CZ PHE C 113 80.412 -1.333 -0.603 1.00 29.45 C ATOM 3050 H PHE C 113 83.677 -5.589 0.738 1.00 0.00 H ATOM 3051 N ALA C 114 84.267 -7.776 -1.433 1.00 31.87 N ATOM 3052 CA ALA C 114 85.017 -8.810 -2.143 1.00 33.99 C ATOM 3053 C ALA C 114 84.109 -9.630 -3.061 1.00 41.20 C ATOM 3054 O ALA C 114 84.571 -10.220 -4.038 1.00 53.81 O ATOM 3055 CB ALA C 114 85.698 -9.728 -1.165 1.00 31.54 C ATOM 3056 OXT ALA C 114 82.908 -9.732 -2.830 1.00 34.96 O ATOM 3057 H ALA C 114 84.245 -7.797 -0.393 1.00 0.00 H TER 3058 ALA C 114 HETATM 3059 O HOH 1 85.487 17.888 24.863 1.00 36.81 O HETATM 3060 O HOH 2 87.129 10.663 18.326 1.00 19.37 O HETATM 3061 O HOH 3 98.310 9.938 13.148 1.00 22.53 O HETATM 3062 O HOH 4 104.604 2.917 2.866 1.00 38.75 O HETATM 3063 O HOH 5 109.159 2.849 3.894 1.00 36.81 O HETATM 3064 O HOH 6 108.914 10.351 11.793 1.00 36.24 O HETATM 3065 O HOH 7 94.958 7.736 36.271 1.00 37.75 O HETATM 3066 O HOH 8 110.127 3.129 7.592 1.00 32.24 O HETATM 3067 O HOH 9 84.669 17.326 30.079 1.00 29.96 O HETATM 3068 O HOH 10 114.079 1.587 20.422 1.00 30.50 O HETATM 3069 O HOH 11 109.040 15.373 -2.965 1.00 22.53 O HETATM 3070 O HOH 12 108.384 16.012 -6.092 1.00 35.49 O HETATM 3071 O HOH 13 107.309 0.267 6.757 1.00 31.44 O HETATM 3072 O HOH 14 103.987 15.536 -5.747 1.00 33.91 O HETATM 3073 O HOH 15 109.234 -3.072 17.748 1.00 29.19 O HETATM 3074 O HOH 16 94.817 4.137 13.880 1.00 22.81 O HETATM 3075 O HOH 17 95.761 15.324 33.761 1.00 28.74 O HETATM 3076 O HOH 18 101.161 11.716 -5.532 1.00 28.31 O HETATM 3077 O HOH 19 108.712 19.796 25.511 1.00 32.95 O HETATM 3078 O HOH 20 94.056 7.756 15.813 1.00 27.60 O HETATM 3079 O HOH 21 112.007 6.990 23.592 1.00 27.93 O HETATM 3080 O HOH 22 98.024 19.337 -7.794 1.00 24.53 O HETATM 3081 O HOH 23 99.886 5.834 -4.403 1.00 36.22 O HETATM 3082 O HOH 24 101.876 19.503 28.740 1.00 30.97 O HETATM 3083 O HOH 25 116.450 15.973 17.410 1.00 36.05 O HETATM 3084 O HOH 26 95.704 -3.134 30.054 1.00 22.48 O HETATM 3085 O HOH 27 100.702 18.892 -8.168 1.00 22.58 O HETATM 3086 O HOH 28 93.428 11.117 33.974 1.00 29.58 O HETATM 3087 O HOH 29 85.127 10.954 29.170 1.00 39.20 O HETATM 3088 O HOH 30 100.708 0.277 9.610 1.00 18.25 O HETATM 3089 O HOH 31 89.667 17.644 19.899 1.00 16.19 O HETATM 3090 O HOH 32 86.524 16.016 22.474 1.00 27.17 O HETATM 3091 O HOH 33 108.161 10.778 27.607 1.00 27.42 O HETATM 3092 O HOH 34 107.250 5.587 2.957 1.00 26.25 O HETATM 3093 O HOH 35 94.773 3.652 17.514 1.00 31.50 O HETATM 3094 O HOH 36 93.492 25.352 -3.087 1.00 27.47 O HETATM 3095 O HOH 37 90.910 -1.209 34.885 1.00 38.60 O HETATM 3096 O HOH 38 100.838 6.033 28.964 1.00 19.15 O HETATM 3097 O HOH 39 96.270 -0.778 33.842 1.00 25.50 O HETATM 3098 O HOH 40 102.071 20.971 15.690 1.00 13.10 O HETATM 3099 O HOH 41 109.618 19.093 2.471 1.00 31.56 O HETATM 3100 O HOH 42 111.789 13.958 22.415 1.00 28.15 O HETATM 3101 O HOH 43 83.926 13.532 29.654 1.00 29.13 O HETATM 3102 O HOH 44 90.241 13.572 35.231 1.00 39.65 O HETATM 3103 O HOH 45 94.337 28.814 30.788 1.00 32.21 O HETATM 3104 O HOH 46 108.058 6.044 29.244 1.00 30.70 O HETATM 3105 O HOH 47 102.673 1.072 7.799 1.00 22.03 O HETATM 3106 O HOH 48 107.516 7.481 0.281 1.00 25.62 O HETATM 3107 O HOH 49 95.207 4.518 33.046 1.00 17.32 O HETATM 3108 O HOH 50 105.735 9.156 32.550 1.00 27.59 O HETATM 3109 O HOH 51 105.310 7.584 -2.929 1.00 24.41 O HETATM 3110 O HOH 52 103.660 24.327 9.664 1.00 25.70 O HETATM 3111 O HOH 53 87.994 7.405 33.299 1.00 31.28 O HETATM 3112 O HOH 54 83.316 13.366 20.740 1.00 25.05 O HETATM 3113 O HOH 55 88.708 17.035 34.796 1.00 37.29 O HETATM 3114 O HOH 56 92.656 13.467 12.718 1.00 16.12 O HETATM 3115 O HOH 57 94.166 -2.049 32.108 1.00 26.87 O HETATM 3116 O HOH 58 85.072 0.113 33.973 1.00 34.88 O HETATM 3117 O HOH 59 86.454 18.714 31.309 1.00 25.41 O HETATM 3118 O HOH 60 100.888 4.867 1.856 1.00 20.93 O HETATM 3119 O HOH 61 101.138 -4.522 32.509 1.00 29.81 O HETATM 3120 O HOH 62 113.677 19.676 15.827 1.00 28.95 O HETATM 3121 O HOH 63 98.752 2.855 -2.038 1.00 31.90 O HETATM 3122 O HOH 64 96.730 23.476 32.864 1.00 27.86 O HETATM 3123 O HOH 65 102.783 21.814 -2.997 1.00 34.50 O HETATM 3124 O HOH 66 108.983 -0.944 8.832 1.00 33.46 O HETATM 3125 O HOH 67 97.310 22.335 24.385 1.00 22.98 O HETATM 3126 O HOH 68 91.642 -5.084 31.449 1.00 37.13 O HETATM 3127 O HOH 69 88.631 9.261 32.189 1.00 34.76 O HETATM 3128 O HOH 70 89.682 11.460 15.840 1.00 19.43 O HETATM 3129 O HOH 71 100.529 2.913 5.893 1.00 34.76 O HETATM 3130 O HOH 72 108.881 13.424 27.153 1.00 44.90 O HETATM 3131 O HOH 73 109.774 -3.857 11.664 1.00 37.31 O HETATM 3132 O HOH 74 101.576 2.177 1.736 1.00 33.43 O HETATM 3133 O HOH 75 108.670 28.941 10.384 1.00 32.59 O HETATM 3134 O HOH 76 91.897 8.886 14.923 1.00 22.63 O HETATM 3135 O HOH 77 113.841 4.921 23.920 1.00 41.98 O HETATM 3136 O HOH 78 81.703 11.461 22.992 1.00 33.11 O HETATM 3137 O HOH 79 89.492 7.674 15.666 1.00 18.63 O HETATM 3138 O HOH 80 93.968 13.582 35.037 1.00 34.56 O HETATM 3139 O HOH 81 113.048 2.416 23.369 1.00 39.57 O HETATM 3140 O HOH 82 94.850 25.648 -6.465 1.00 30.41 O HETATM 3141 O HOH 83 111.784 8.344 25.944 1.00 34.85 O HETATM 3142 O HOH 84 114.559 12.251 9.406 1.00 37.84 O HETATM 3143 O HOH 85 92.724 5.382 16.859 1.00 28.05 O HETATM 3144 O HOH 86 97.333 -5.162 30.360 1.00 34.22 O HETATM 3145 O HOH 87 93.334 9.817 36.338 1.00 34.29 O HETATM 3146 O HOH 88 85.867 -7.769 30.172 1.00 25.78 O HETATM 3147 O HOH 89 110.804 -5.174 16.478 1.00 32.11 O HETATM 3148 O HOH 90 90.695 11.241 33.909 1.00 33.41 O HETATM 3149 O HOH 91 86.257 17.652 34.047 1.00 38.20 O HETATM 3150 O HOH 92 105.325 6.223 32.737 1.00 32.52 O HETATM 3151 O HOH 93 98.515 2.933 4.711 1.00 26.17 O HETATM 3152 O HOH 94 78.088 13.717 21.951 1.00 44.68 O HETATM 3153 O HOH 95 77.119 -9.571 24.844 1.00 37.36 O HETATM 3154 O HOH 96 99.060 -10.721 8.330 1.00 37.00 O HETATM 3155 O HOH 97 84.856 11.890 14.970 1.00 21.23 O HETATM 3156 O HOH 98 69.986 11.113 10.972 1.00 40.26 O HETATM 3157 O HOH 99 73.106 14.581 21.213 1.00 32.69 O HETATM 3158 O HOH 100 107.479 -10.033 22.073 1.00 33.00 O HETATM 3159 O HOH 101 73.541 15.102 17.426 1.00 36.90 O HETATM 3160 O HOH 102 95.181 -11.328 8.761 1.00 40.67 O HETATM 3161 O HOH 103 107.999 -5.830 21.624 1.00 23.81 O HETATM 3162 O HOH 104 89.634 0.543 14.554 1.00 23.69 O HETATM 3163 O HOH 105 79.111 -13.180 11.941 1.00 31.26 O HETATM 3164 O HOH 106 110.559 -3.698 24.370 1.00 39.38 O HETATM 3165 O HOH 107 74.164 -2.680 24.162 1.00 33.50 O HETATM 3166 O HOH 108 86.223 -10.113 2.800 1.00 28.22 O HETATM 3167 O HOH 109 74.087 13.998 14.808 1.00 41.72 O HETATM 3168 O HOH 110 66.943 4.702 12.549 1.00 42.41 O HETATM 3169 O HOH 111 75.258 -9.093 15.834 1.00 33.28 O HETATM 3170 O HOH 112 73.791 15.265 -0.538 1.00 24.61 O HETATM 3171 O HOH 113 83.174 9.498 21.945 1.00 16.93 O HETATM 3172 O HOH 114 81.962 -6.858 28.244 1.00 25.99 O HETATM 3173 O HOH 115 80.631 -12.772 18.997 1.00 35.16 O HETATM 3174 O HOH 116 70.966 4.874 2.383 1.00 27.95 O HETATM 3175 O HOH 117 99.777 -8.931 10.932 1.00 32.18 O HETATM 3176 O HOH 118 73.574 -9.217 10.869 1.00 35.32 O HETATM 3177 O HOH 119 73.028 2.712 1.024 1.00 29.41 O HETATM 3178 O HOH 120 87.054 -2.855 25.929 1.00 16.80 O HETATM 3179 O HOH 121 93.350 -2.563 5.079 1.00 22.47 O HETATM 3180 O HOH 122 78.999 16.724 17.689 1.00 39.31 O HETATM 3181 O HOH 123 104.849 -10.405 21.286 1.00 18.66 O HETATM 3182 O HOH 124 104.825 -3.823 24.802 1.00 22.90 O HETATM 3183 O HOH 125 80.646 12.883 20.165 1.00 24.63 O HETATM 3184 O HOH 126 73.846 -1.773 10.744 1.00 27.83 O HETATM 3185 O HOH 127 71.833 12.888 22.827 1.00 33.86 O HETATM 3186 O HOH 128 87.436 4.689 12.406 1.00 24.05 O HETATM 3187 O HOH 129 87.186 -14.219 24.312 1.00 36.94 O HETATM 3188 O HOH 130 70.005 3.898 8.806 1.00 22.49 O HETATM 3189 O HOH 131 87.175 9.150 15.753 1.00 21.49 O HETATM 3190 O HOH 132 107.506 -1.981 10.912 1.00 29.15 O HETATM 3191 O HOH 133 90.294 6.344 18.008 1.00 17.23 O HETATM 3192 O HOH 134 76.248 -4.951 27.961 1.00 29.44 O HETATM 3193 O HOH 135 93.359 -4.482 29.456 1.00 22.36 O HETATM 3194 O HOH 136 78.180 2.158 26.506 1.00 35.95 O HETATM 3195 O HOH 137 95.130 -4.300 6.153 1.00 25.14 O HETATM 3196 O HOH 138 68.078 13.323 7.909 1.00 30.14 O HETATM 3197 O HOH 139 102.412 -9.237 12.871 1.00 25.14 O HETATM 3198 O HOH 140 101.118 -2.595 9.956 1.00 15.25 O HETATM 3199 O HOH 141 81.977 -15.505 6.671 1.00 34.22 O HETATM 3200 O HOH 142 105.097 -0.715 7.903 1.00 26.32 O HETATM 3201 O HOH 143 79.138 -0.292 28.453 1.00 25.82 O HETATM 3202 O HOH 144 105.858 -6.705 12.699 1.00 29.88 O HETATM 3203 O HOH 145 82.690 15.769 17.500 1.00 24.79 O HETATM 3204 O HOH 146 97.198 -2.166 7.735 1.00 35.65 O HETATM 3205 O HOH 147 70.279 2.333 27.920 1.00 41.32 O HETATM 3206 O HOH 148 70.877 10.887 13.535 1.00 39.30 O HETATM 3207 O HOH 149 68.364 -2.324 21.610 1.00 42.77 O HETATM 3208 O HOH 150 79.965 -14.379 7.139 1.00 35.99 O HETATM 3209 O HOH 151 72.580 -8.429 16.405 1.00 34.48 O HETATM 3210 O HOH 152 88.352 6.857 13.352 1.00 22.64 O HETATM 3211 O HOH 153 96.742 1.577 6.534 1.00 28.47 O HETATM 3212 O HOH 154 104.559 -8.572 11.354 1.00 40.14 O HETATM 3213 O HOH 155 87.551 9.273 12.159 1.00 18.12 O HETATM 3214 O HOH 156 83.899 -8.613 28.062 1.00 29.27 O HETATM 3215 O HOH 157 76.532 -12.849 13.208 1.00 37.92 O HETATM 3216 O HOH 158 84.507 14.510 18.510 1.00 31.51 O HETATM 3217 O HOH 159 80.360 15.965 19.434 1.00 34.66 O HETATM 3218 O HOH 160 109.936 -9.288 23.687 1.00 32.96 O HETATM 3219 O HOH 161 69.101 13.194 21.794 1.00 37.42 O HETATM 3220 O HOH 162 83.816 -11.102 27.727 1.00 31.76 O HETATM 3221 O HOH 163 98.550 -0.121 7.809 1.00 26.82 O HETATM 3222 O HOH 164 81.466 21.140 17.268 1.00 35.82 O HETATM 3223 O HOH 165 88.288 13.958 15.928 1.00 23.09 O HETATM 3224 O HOH 166 88.284 24.999 17.425 1.00 37.61 O HETATM 3225 O HOH 167 86.031 25.757 18.610 1.00 36.65 O HETATM 3226 O HOH 168 88.794 8.680 5.097 1.00 25.24 O HETATM 3227 O HOH 169 92.011 -9.128 3.930 1.00 38.31 O HETATM 3228 O HOH 170 94.317 2.619 -7.085 1.00 34.73 O HETATM 3229 O HOH 171 97.508 31.706 16.519 1.00 20.69 O HETATM 3230 O HOH 172 97.379 1.551 -4.356 1.00 46.94 O HETATM 3231 O HOH 173 79.741 24.195 0.928 1.00 30.69 O HETATM 3232 O HOH 174 106.254 26.162 12.636 1.00 27.28 O HETATM 3233 O HOH 175 79.280 23.717 -5.339 1.00 27.99 O HETATM 3234 O HOH 176 91.211 11.557 9.045 1.00 23.57 O HETATM 3235 O HOH 177 83.823 29.338 6.997 1.00 27.64 O HETATM 3236 O HOH 178 79.702 21.258 -6.758 1.00 39.36 O HETATM 3237 O HOH 179 88.622 29.506 9.231 1.00 32.66 O HETATM 3238 O HOH 180 82.330 26.214 18.224 1.00 26.98 O HETATM 3239 O HOH 181 95.373 34.972 14.702 1.00 33.02 O HETATM 3240 O HOH 182 90.259 24.175 18.795 1.00 33.32 O HETATM 3241 O HOH 183 92.434 28.868 14.646 1.00 22.08 O HETATM 3242 O HOH 184 83.087 24.759 -4.817 1.00 32.02 O HETATM 3243 O HOH 185 80.384 13.466 -14.003 1.00 25.63 O HETATM 3244 O HOH 186 81.294 15.765 13.489 1.00 15.30 O HETATM 3245 O HOH 187 95.403 27.954 20.742 1.00 30.69 O HETATM 3246 O HOH 188 91.864 18.755 -9.062 1.00 25.44 O HETATM 3247 O HOH 189 103.886 25.309 19.594 1.00 20.08 O HETATM 3248 O HOH 190 78.347 -12.052 5.912 1.00 28.30 O HETATM 3249 O HOH 191 102.356 25.376 7.148 1.00 19.50 O HETATM 3250 O HOH 192 98.123 4.561 2.307 1.00 19.51 O HETATM 3251 O HOH 193 82.015 7.605 -14.092 1.00 26.10 O HETATM 3252 O HOH 194 88.287 22.880 -5.242 1.00 20.96 O HETATM 3253 O HOH 195 75.750 27.691 -2.859 1.00 36.84 O HETATM 3254 O HOH 196 75.848 25.642 8.655 1.00 30.61 O HETATM 3255 O HOH 197 97.101 15.449 -11.012 1.00 27.36 O HETATM 3256 O HOH 198 94.795 28.374 7.627 1.00 16.81 O HETATM 3257 O HOH 199 92.002 -1.656 -4.130 1.00 27.71 O HETATM 3258 O HOH 200 79.147 7.193 -11.287 1.00 22.57 O HETATM 3259 O HOH 201 83.088 18.387 16.690 1.00 23.30 O HETATM 3260 O HOH 202 93.911 24.005 18.693 1.00 22.98 O HETATM 3261 O HOH 203 95.391 13.085 8.202 1.00 26.77 O HETATM 3262 O HOH 204 95.254 30.554 17.647 1.00 33.52 O HETATM 3263 O HOH 205 77.661 11.403 1.395 1.00 17.10 O HETATM 3264 O HOH 206 93.067 24.241 2.094 1.00 16.37 O HETATM 3265 O HOH 207 89.890 27.776 -2.960 1.00 25.77 O HETATM 3266 O HOH 208 79.891 10.259 -10.447 1.00 26.55 O HETATM 3267 O HOH 209 69.776 26.299 7.526 1.00 38.47 O HETATM 3268 O HOH 210 83.428 12.608 -13.656 1.00 27.74 O HETATM 3269 O HOH 211 85.288 8.502 10.628 1.00 18.30 O HETATM 3270 O HOH 212 74.547 7.214 -6.843 1.00 23.79 O HETATM 3271 O HOH 213 93.188 24.310 -5.176 1.00 26.03 O HETATM 3272 O HOH 214 100.805 30.269 12.107 1.00 19.73 O HETATM 3273 O HOH 215 73.180 5.312 -0.238 1.00 27.59 O HETATM 3274 O HOH 216 85.144 17.672 -8.588 1.00 26.48 O HETATM 3275 O HOH 217 90.132 -4.637 -4.151 1.00 29.06 O HETATM 3276 O HOH 218 101.574 27.355 8.789 1.00 16.63 O HETATM 3277 O HOH 219 99.307 29.564 17.192 1.00 15.73 O HETATM 3278 O HOH 220 75.658 28.571 5.875 1.00 32.25 O HETATM 3279 O HOH 221 100.064 29.195 6.698 1.00 32.56 O HETATM 3280 O HOH 222 97.163 2.801 0.491 1.00 24.25 O HETATM 3281 O HOH 223 102.961 19.992 10.199 1.00 25.56 O HETATM 3282 O HOH 224 80.826 27.330 16.471 1.00 22.60 O HETATM 3283 O HOH 225 87.419 11.638 13.600 1.00 19.85 O HETATM 3284 O HOH 226 76.679 20.097 5.585 1.00 21.16 O HETATM 3285 O HOH 227 85.667 22.437 -6.150 1.00 34.58 O HETATM 3286 O HOH 228 93.070 -2.921 2.460 1.00 18.46 O HETATM 3287 O HOH 229 85.845 16.482 19.848 1.00 24.67 O HETATM 3288 O HOH 230 95.116 -6.734 4.381 1.00 36.81 O HETATM 3289 O HOH 231 90.504 31.605 8.685 1.00 35.79 O HETATM 3290 O HOH 232 89.914 28.046 14.321 1.00 36.46 O HETATM 3291 O HOH 233 87.340 25.389 -4.672 1.00 35.03 O HETATM 3292 O HOH 234 76.947 21.806 7.227 1.00 33.70 O HETATM 3293 O HOH 235 95.414 0.875 2.645 1.00 38.06 O HETATM 3294 O HOH 236 94.062 18.610 -10.853 1.00 34.21 O HETATM 3295 O HOH 237 82.685 4.633 -11.276 1.00 34.93 O HETATM 3296 O HOH 238 89.935 10.398 11.192 1.00 24.30 O HETATM 3297 O HOH 239 82.074 16.167 -17.064 1.00 34.86 O HETATM 3298 O HOH 240 104.827 28.368 13.724 1.00 38.70 O HETATM 3299 O HOH 241 87.867 18.801 21.218 1.00 34.07 O HETATM 3300 O HOH 242 96.682 18.069 -10.044 1.00 28.42 O HETATM 3301 O HOH 243 89.785 30.258 -1.718 1.00 41.30 O HETATM 3302 O HOH 244 91.220 11.196 13.601 1.00 19.41 O HETATM 3303 O HOH 245 90.528 21.266 -8.627 1.00 15.07 O HETATM 3304 O HOH 246 72.399 -10.648 8.668 1.00 41.03 O HETATM 3305 O HOH 247 93.649 12.331 10.295 1.00 25.13 O HETATM 3306 O HOH 248 93.199 31.291 16.009 1.00 40.14 O HETATM 3307 O HOH 249 83.815 18.649 19.828 1.00 32.21 O HETATM 3308 O HOH 250 69.574 23.925 8.062 1.00 37.57 O HETATM 3309 O HOH 251 86.158 12.924 17.068 1.00 25.02 O HETATM 3310 O HOH 252 88.434 29.647 11.807 1.00 37.16 O HETATM 3311 O HOH 253 81.785 30.113 16.574 1.00 37.68 O HETATM 3312 O HOH 254 93.011 27.923 -2.683 1.00 34.02 O HETATM 3313 O HOH 255 95.281 -0.162 4.828 1.00 26.23 O HETATM 3314 O HOH 256 93.637 29.526 -1.015 1.00 38.16 O HETATM 3315 C13 EV A 7 104.600 15.596 6.637 1.00 -0.03 C HETATM 3316 C12 EV A 7 103.382 14.940 6.749 1.00 -0.07 C HETATM 3317 C06 EV A 7 103.330 13.654 7.266 1.00 -0.04 C HETATM 3318 C05 EV A 7 104.494 13.016 7.656 1.00 -0.05 C HETATM 3319 C04 EV A 7 105.697 13.676 7.544 1.00 0.04 C HETATM 3320 C02 EV A 7 106.982 13.012 8.032 1.00 0.06 C HETATM 3321 O01 EV A 7 107.716 13.697 8.795 1.00 -0.56 O HETATM 3322 O03 EV A 7 107.297 11.836 7.740 1.00 -0.56 O HETATM 3323 C14 EV A 7 105.764 14.972 7.047 1.00 0.13 C HETATM 3324 O15 EV A 7 107.024 15.591 6.910 1.00 -0.26 O HETATM 3325 C16 EV A 7 107.563 15.024 5.735 1.00 0.12 C HETATM 3326 C17 EV A 7 106.958 15.351 4.547 1.00 -0.02 C HETATM 3327 C18 EV A 7 107.394 14.848 3.340 1.00 -0.06 C HETATM 3328 C19 EV A 7 108.460 13.978 3.301 1.00 -0.02 C HETATM 3329 C20 EV A 7 108.882 13.461 2.052 1.00 -0.06 C HETATM 3330 C21 EV A 7 109.966 12.591 1.970 1.00 -0.06 C HETATM 3331 C22 EV A 7 110.611 12.232 3.151 1.00 -0.07 C HETATM 3332 C23 EV A 7 110.190 12.746 4.371 1.00 -0.06 C HETATM 3333 C24 EV A 7 109.095 13.631 4.458 1.00 -0.03 C HETATM 3334 C25 EV A 7 108.647 14.146 5.702 1.00 -0.02 C HETATM 3335 H12 EV A 7 109.144 13.859 6.622 1.00 0.05 H HETATM 3336 H11 EV A 7 110.714 12.461 5.276 1.00 0.06 H HETATM 3337 H5 EV A 7 111.449 11.545 3.118 1.00 0.06 H HETATM 3338 H4 EV A 7 110.299 12.204 1.014 1.00 0.06 H HETATM 3339 H3 EV A 7 108.355 13.746 1.149 1.00 0.06 H HETATM 3340 H10 EV A 7 106.897 15.138 2.421 1.00 0.06 H HETATM 3341 H2 EV A 7 106.110 16.026 4.558 1.00 0.06 H HETATM 3342 H6 EV A 7 104.459 12.005 8.046 1.00 0.06 H HETATM 3343 C07 EV A 7 102.131 12.991 7.358 1.00 -0.01 C HETATM 3344 C08 EV A 7 101.960 11.620 7.330 1.00 0.00 C HETATM 3345 N09 EV A 7 100.665 11.372 7.383 1.00 -0.22 N HETATM 3346 N10 EV A 7 99.989 12.559 7.424 1.00 -0.22 N HETATM 3347 C11 EV A 7 100.877 13.548 7.409 1.00 0.06 C HETATM 3348 H8 EV A 7 100.650 14.613 7.433 1.00 0.10 H HETATM 3349 H13 EV A 7 98.966 12.669 7.460 1.00 0.26 H HETATM 3350 H7 EV A 7 102.753 10.876 7.274 1.00 0.07 H HETATM 3351 H9 EV A 7 102.470 15.433 6.432 1.00 0.06 H HETATM 3352 H1 EV A 7 104.639 16.599 6.228 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1028 1029 1034 1035 1036 CONECT 1035 1028 CONECT 1036 1028 CONECT 2043 2044 2049 2050 2051 CONECT 2050 2043 CONECT 2051 2043 CONECT 3315 3316 3323 3352 CONECT 3316 3315 3317 3351 CONECT 3317 3316 3318 3343 CONECT 3318 3317 3319 3342 CONECT 3319 3318 3320 3323 CONECT 3320 3319 3321 3322 CONECT 3321 3320 CONECT 3322 3320 CONECT 3323 3315 3319 3324 CONECT 3324 3323 3325 CONECT 3325 3324 3326 3334 CONECT 3326 3325 3327 3341 CONECT 3327 3326 3328 3340 CONECT 3328 3327 3329 3333 CONECT 3329 3328 3330 3339 CONECT 3330 3329 3331 3338 CONECT 3331 3330 3332 3337 CONECT 3332 3331 3333 3336 CONECT 3333 3328 3332 3334 CONECT 3334 3325 3333 3335 CONECT 3335 3334 CONECT 3336 3332 CONECT 3337 3331 CONECT 3338 3330 CONECT 3339 3329 CONECT 3340 3327 CONECT 3341 3326 CONECT 3342 3318 CONECT 3343 3317 3344 3347 CONECT 3344 3343 3345 3350 CONECT 3345 3344 3346 CONECT 3346 3345 3347 3349 CONECT 3347 3343 3346 3348 CONECT 3348 3347 CONECT 3349 3346 CONECT 3350 3344 CONECT 3351 3316 CONECT 3352 3315 MASTER 0 0 0 0 0 0 0 0 3349 3 47 27 END
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RCSB PDB
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6cbh
RCSB PDB
PDBbind
EV7
Entry Information
PDB ID
6cb5
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Macrophage migration inhibitory factor
Ligand Name
EV7
EC.Number
E.C.5.3.2.1
Resolution
1.78(Å)
Affinity (Kd/Ki/IC50)
Ki=4.3uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ChemMedChem Vol. 13: pp. 1092-1097
Ligand Properties
Formula
C
2
0
H
1
4
N
2
O
3
Molecular Weight
330.337
Exact Mass
330.100
No. of atoms
39
No. of bonds
42
Polar Surface Area
75.21
LOGP Value
5.23 (
Computed with XLOGP3
)
4.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
OC(=O)c1cc(ccc1Oc1ccc2c(c1)cccc2)c1c[nH]nc1
InChI String
InChI=1S/C20H14N2O3/c23-20(24)18-10-15(16-11-21-22-12-16)6-8-19(18)25-17-7-5-13-3-1-2-4-14(13)9-17/h1-12H,(H,21,22)(H,23,24)
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):
P14174
Entrez Gene ID
NCBI Entrez Gene ID:
4282
ASD
Information of known allosteric effects of PDB entries
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