Browse entries in the PDBbind-CN Database
HEADER 4JJM_COMPLEX COMPND 4JJM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 170 ASN PRO LYS VAL PHE PHE ASP MET THR VAL GLY GLY GLN SEQRES 2 A 170 PRO ALA GLY ARG ILE VAL MET GLU LEU PHE ALA ASP VAL SEQRES 3 A 170 THR PRO ARG THR ALA GLU ASN PHE ARG ALA LEU CYS THR SEQRES 4 A 170 GLY GLU LYS GLY ILE GLY LYS SER GLY LYS PRO LEU HIS SEQRES 5 A 170 TYR LYS GLY SER SER PHE HIS ARG VAL ILE PRO GLY PHE SEQRES 6 A 170 MET CYS GLN GLY GLY ASP PHE THR ALA GLY ASN GLY THR SEQRES 7 A 170 GLY GLY GLU SER ILE TYR GLY SER LYS PHE ALA ASP GLU SEQRES 8 A 170 ASN PHE VAL LYS LYS HIS THR GLY PRO GLY ILE LEU SER SEQRES 9 A 170 MET ALA ASN ALA GLY PRO GLY THR ASN GLY SER GLN PHE SEQRES 10 A 170 PHE VAL CYS THR ALA LYS THR GLU TRP LEU ASP GLY LYS SEQRES 11 A 170 HIS VAL VAL PHE GLY GLN VAL VAL GLU GLY MET ASP VAL SEQRES 12 A 170 VAL LYS ALA ILE GLU LYS VAL GLY SER SER SER GLY ARG SEQRES 13 A 170 THR ASN LYS PRO VAL VAL ILE ALA ASP CYS GLY GLN LEU SEQRES 14 A 170 SER HET DAL A 306 196 ATOM 1 N ASN A 3 -13.184 59.589 23.401 1.00 22.58 N ATOM 2 CA ASN A 3 -14.097 59.053 22.398 1.00 22.06 C ATOM 3 C ASN A 3 -14.417 57.575 22.619 1.00 27.48 C ATOM 4 O ASN A 3 -13.519 56.769 22.867 1.00 20.17 O ATOM 5 CB ASN A 3 -13.546 59.278 20.984 1.00 20.81 C ATOM 6 CG ASN A 3 -13.754 60.702 20.492 1.00 19.12 C ATOM 7 OD1 ASN A 3 -14.606 61.430 21.003 1.00 16.93 O ATOM 8 ND2 ASN A 3 -12.984 61.100 19.484 1.00 25.22 N ATOM 9 HD22 ASN A 3 -12.277 60.452 19.083 1.00 0.00 H ATOM 10 HD21 ASN A 3 -13.089 62.060 19.097 1.00 0.00 H ATOM 11 HN3 ASN A 3 -12.288 59.061 23.370 1.00 0.00 H ATOM 12 HN2 ASN A 3 -13.612 59.493 24.344 1.00 0.00 H ATOM 13 HN1 ASN A 3 -13.003 60.593 23.202 1.00 0.00 H ATOM 14 N PRO A 4 -15.709 57.216 22.529 1.00 21.24 N ATOM 15 CA PRO A 4 -16.125 55.821 22.700 1.00 23.07 C ATOM 16 C PRO A 4 -15.685 54.950 21.528 1.00 22.89 C ATOM 17 O PRO A 4 -15.531 55.451 20.413 1.00 21.71 O ATOM 18 CB PRO A 4 -17.652 55.919 22.726 1.00 20.39 C ATOM 19 CG PRO A 4 -17.959 57.147 21.932 1.00 21.34 C ATOM 20 CD PRO A 4 -16.858 58.107 22.285 1.00 20.34 C ATOM 21 N LYS A 5 -15.476 53.662 21.787 1.00 19.38 N ATOM 22 CA LYS A 5 -15.143 52.705 20.738 1.00 19.22 C ATOM 23 C LYS A 5 -16.181 51.588 20.718 1.00 20.76 C ATOM 24 O LYS A 5 -16.440 50.958 21.745 1.00 16.55 O ATOM 25 CB LYS A 5 -13.742 52.118 20.955 1.00 21.22 C ATOM 26 CG LYS A 5 -12.597 53.110 20.751 1.00 24.08 C ATOM 27 CD LYS A 5 -11.242 52.411 20.792 1.00 31.08 C ATOM 28 CE LYS A 5 -10.114 53.363 20.405 1.00 40.26 C ATOM 29 NZ LYS A 5 -10.078 54.580 21.265 1.00 53.90 N ATOM 30 HZ1 LYS A 5 -10.978 55.094 21.175 1.00 0.00 H ATOM 31 HZ2 LYS A 5 -9.936 54.299 22.256 1.00 0.00 H ATOM 32 HZ3 LYS A 5 -9.295 55.194 20.962 1.00 0.00 H ATOM 33 H LYS A 5 -15.552 53.327 22.769 1.00 0.00 H ATOM 34 N VAL A 6 -16.779 51.348 19.556 1.00 18.20 N ATOM 35 CA VAL A 6 -17.780 50.293 19.425 1.00 15.19 C ATOM 36 C VAL A 6 -17.300 49.243 18.434 1.00 19.40 C ATOM 37 O VAL A 6 -16.307 49.455 17.731 1.00 17.28 O ATOM 38 CB VAL A 6 -19.148 50.850 18.991 1.00 19.74 C ATOM 39 CG1 VAL A 6 -19.784 51.632 20.127 1.00 16.47 C ATOM 40 CG2 VAL A 6 -18.994 51.731 17.765 1.00 11.65 C ATOM 41 H VAL A 6 -16.530 51.922 18.725 1.00 0.00 H ATOM 42 N PHE A 7 -17.999 48.114 18.372 1.00 12.26 N ATOM 43 CA PHE A 7 -17.530 47.005 17.551 1.00 14.12 C ATOM 44 C PHE A 7 -18.647 46.209 16.879 1.00 15.52 C ATOM 45 O PHE A 7 -19.773 46.143 17.380 1.00 11.23 O ATOM 46 CB PHE A 7 -16.655 46.065 18.384 1.00 16.58 C ATOM 47 CG PHE A 7 -17.424 45.240 19.375 1.00 14.86 C ATOM 48 CD1 PHE A 7 -17.773 45.764 20.610 1.00 19.46 C ATOM 49 CD2 PHE A 7 -17.794 43.938 19.073 1.00 17.38 C ATOM 50 CE1 PHE A 7 -18.478 45.004 21.526 1.00 19.56 C ATOM 51 CE2 PHE A 7 -18.502 43.173 19.982 1.00 18.79 C ATOM 52 CZ PHE A 7 -18.844 43.708 21.212 1.00 18.50 C ATOM 53 H PHE A 7 -18.884 48.022 18.911 1.00 0.00 H ATOM 54 N PHE A 8 -18.315 45.615 15.735 1.00 16.06 N ATOM 55 CA PHE A 8 -19.167 44.638 15.075 1.00 11.02 C ATOM 56 C PHE A 8 -18.389 43.341 14.965 1.00 15.02 C ATOM 57 O PHE A 8 -17.247 43.348 14.503 1.00 14.23 O ATOM 58 CB PHE A 8 -19.504 45.081 13.652 1.00 15.96 C ATOM 59 CG PHE A 8 -20.409 46.270 13.572 1.00 17.11 C ATOM 60 CD1 PHE A 8 -21.286 46.576 14.602 1.00 10.17 C ATOM 61 CD2 PHE A 8 -20.385 47.082 12.450 1.00 12.37 C ATOM 62 CE1 PHE A 8 -22.122 47.677 14.513 1.00 14.27 C ATOM 63 CE2 PHE A 8 -21.215 48.181 12.354 1.00 12.38 C ATOM 64 CZ PHE A 8 -22.084 48.481 13.388 1.00 16.81 C ATOM 65 H PHE A 8 -17.406 45.860 15.293 1.00 0.00 H ATOM 66 N ASP A 9 -18.991 42.232 15.383 1.00 12.34 N ATOM 67 CA ASP A 9 -18.449 40.920 15.048 1.00 12.35 C ATOM 68 C ASP A 9 -19.220 40.407 13.835 1.00 16.44 C ATOM 69 O ASP A 9 -20.439 40.235 13.893 1.00 16.66 O ATOM 70 CB ASP A 9 -18.562 39.952 16.231 1.00 13.50 C ATOM 71 CG ASP A 9 -17.676 40.350 17.400 1.00 17.54 C ATOM 72 OD1 ASP A 9 -16.547 40.822 17.155 1.00 15.46 O ATOM 73 OD2 ASP A 9 -18.113 40.195 18.563 1.00 16.82 O ATOM 74 H ASP A 9 -19.857 42.301 15.955 1.00 0.00 H ATOM 75 N MET A 10 -18.514 40.179 12.731 1.00 15.30 N ATOM 76 CA MET A 10 -19.177 39.952 11.451 1.00 13.53 C ATOM 77 C MET A 10 -19.178 38.495 11.004 1.00 16.06 C ATOM 78 O MET A 10 -18.265 37.732 11.328 1.00 14.76 O ATOM 79 CB MET A 10 -18.516 40.802 10.364 1.00 14.06 C ATOM 80 CG MET A 10 -18.467 42.285 10.678 1.00 10.67 C ATOM 81 SD MET A 10 -20.111 43.011 10.814 1.00 12.26 S ATOM 82 CE MET A 10 -20.768 42.639 9.188 1.00 14.43 C ATOM 83 H MET A 10 -17.475 40.162 12.781 1.00 0.00 H ATOM 84 N THR A 11 -20.217 38.120 10.262 1.00 11.88 N ATOM 85 CA THR A 11 -20.227 36.867 9.516 1.00 13.67 C ATOM 86 C THR A 11 -20.417 37.176 8.034 1.00 14.39 C ATOM 87 O THR A 11 -21.190 38.067 7.672 1.00 13.01 O ATOM 88 CB THR A 11 -21.348 35.910 9.977 1.00 15.02 C ATOM 89 OG1 THR A 11 -22.607 36.592 9.944 1.00 19.14 O ATOM 90 CG2 THR A 11 -21.084 35.393 11.388 1.00 13.75 C ATOM 91 HG1 THR A 11 -23.323 35.976 10.240 1.00 0.00 H ATOM 92 H THR A 11 -21.050 38.741 10.212 1.00 0.00 H ATOM 93 N VAL A 12 -19.697 36.453 7.181 1.00 10.67 N ATOM 94 CA VAL A 12 -19.872 36.572 5.740 1.00 14.02 C ATOM 95 C VAL A 12 -20.178 35.186 5.196 1.00 18.67 C ATOM 96 O VAL A 12 -19.337 34.288 5.275 1.00 15.63 O ATOM 97 CB VAL A 12 -18.611 37.122 5.047 1.00 10.77 C ATOM 98 CG1 VAL A 12 -18.833 37.204 3.543 1.00 12.46 C ATOM 99 CG2 VAL A 12 -18.247 38.489 5.602 1.00 12.40 C ATOM 100 H VAL A 12 -18.991 35.786 7.552 1.00 0.00 H ATOM 101 N GLY A 13 -21.384 35.005 4.667 1.00 15.73 N ATOM 102 CA GLY A 13 -21.816 33.701 4.199 1.00 16.21 C ATOM 103 C GLY A 13 -21.889 32.697 5.335 1.00 18.93 C ATOM 104 O GLY A 13 -21.661 31.500 5.141 1.00 17.06 O ATOM 105 H GLY A 13 -22.032 35.815 4.587 1.00 0.00 H ATOM 106 N GLY A 14 -22.194 33.193 6.532 1.00 18.05 N ATOM 107 CA GLY A 14 -22.327 32.339 7.700 1.00 13.66 C ATOM 108 C GLY A 14 -21.026 32.117 8.451 1.00 16.84 C ATOM 109 O GLY A 14 -21.035 31.695 9.612 1.00 17.26 O ATOM 110 H GLY A 14 -22.341 34.218 6.634 1.00 0.00 H ATOM 111 N GLN A 15 -19.904 32.390 7.791 1.00 16.76 N ATOM 112 CA GLN A 15 -18.598 32.218 8.415 1.00 16.31 C ATOM 113 C GLN A 15 -18.184 33.461 9.187 1.00 18.00 C ATOM 114 O GLN A 15 -18.281 34.574 8.670 1.00 17.62 O ATOM 115 CB GLN A 15 -17.530 31.885 7.369 1.00 19.88 C ATOM 116 CG GLN A 15 -17.647 30.488 6.780 1.00 25.21 C ATOM 117 CD GLN A 15 -17.561 29.406 7.838 1.00 32.80 C ATOM 118 OE1 GLN A 15 -16.489 29.134 8.380 1.00 38.13 O ATOM 119 NE2 GLN A 15 -18.695 28.787 8.144 1.00 25.64 N ATOM 120 HE22 GLN A 15 -19.578 29.049 7.660 1.00 0.00 H ATOM 121 HE21 GLN A 15 -18.701 28.040 8.867 1.00 0.00 H ATOM 122 H GLN A 15 -19.960 32.733 6.811 1.00 0.00 H ATOM 123 N PRO A 16 -17.725 33.271 10.434 1.00 18.82 N ATOM 124 CA PRO A 16 -17.149 34.365 11.223 1.00 15.85 C ATOM 125 C PRO A 16 -16.024 35.041 10.442 1.00 16.44 C ATOM 126 O PRO A 16 -15.189 34.344 9.860 1.00 20.53 O ATOM 127 CB PRO A 16 -16.578 33.640 12.443 1.00 15.82 C ATOM 128 CG PRO A 16 -17.455 32.433 12.600 1.00 13.96 C ATOM 129 CD PRO A 16 -17.779 32.007 11.192 1.00 16.45 C ATOM 130 N ALA A 17 -16.007 36.371 10.419 1.00 15.42 N ATOM 131 CA ALA A 17 -15.043 37.100 9.597 1.00 19.49 C ATOM 132 C ALA A 17 -14.144 38.042 10.398 1.00 18.83 C ATOM 133 O ALA A 17 -13.148 38.548 9.874 1.00 16.17 O ATOM 134 CB ALA A 17 -15.756 37.855 8.474 1.00 13.79 C ATOM 135 H ALA A 17 -16.691 36.901 10.996 1.00 0.00 H ATOM 136 N GLY A 18 -14.494 38.282 11.659 1.00 17.15 N ATOM 137 CA GLY A 18 -13.667 39.116 12.511 1.00 15.25 C ATOM 138 C GLY A 18 -14.412 40.260 13.165 1.00 15.58 C ATOM 139 O GLY A 18 -15.623 40.414 12.980 1.00 15.69 O ATOM 140 H GLY A 18 -15.369 37.868 12.038 1.00 0.00 H ATOM 141 N ARG A 19 -13.679 41.064 13.930 1.00 14.40 N ATOM 142 CA ARG A 19 -14.259 42.202 14.630 1.00 12.25 C ATOM 143 C ARG A 19 -13.856 43.538 14.003 1.00 12.84 C ATOM 144 O ARG A 19 -12.670 43.831 13.846 1.00 17.84 O ATOM 145 CB ARG A 19 -13.869 42.169 16.112 1.00 14.83 C ATOM 146 CG ARG A 19 -14.347 43.376 16.914 1.00 16.13 C ATOM 147 CD ARG A 19 -14.213 43.154 18.421 1.00 19.48 C ATOM 148 NE ARG A 19 -15.140 42.134 18.913 1.00 19.32 N ATOM 149 CZ ARG A 19 -15.327 41.840 20.197 1.00 21.27 C ATOM 150 NH1 ARG A 19 -14.654 42.488 21.137 1.00 13.88 N ATOM 151 NH2 ARG A 19 -16.194 40.897 20.544 1.00 20.90 N ATOM 152 HE ARG A 19 -15.691 41.602 18.210 1.00 0.00 H ATOM 153 HH12 ARG A 19 -14.804 42.254 22.139 1.00 0.00 H ATOM 154 HH11 ARG A 19 -13.976 43.231 20.873 1.00 0.00 H ATOM 155 HH22 ARG A 19 -16.339 40.668 21.548 1.00 0.00 H ATOM 156 HH21 ARG A 19 -16.728 40.387 19.812 1.00 0.00 H ATOM 157 H ARG A 19 -12.661 40.874 14.031 1.00 0.00 H ATOM 158 N ILE A 20 -14.855 44.336 13.637 1.00 14.36 N ATOM 159 CA ILE A 20 -14.632 45.701 13.181 1.00 15.81 C ATOM 160 C ILE A 20 -14.732 46.616 14.390 1.00 16.22 C ATOM 161 O ILE A 20 -15.757 46.631 15.067 1.00 14.28 O ATOM 162 CB ILE A 20 -15.708 46.133 12.169 1.00 16.63 C ATOM 163 CG1 ILE A 20 -15.597 45.317 10.878 1.00 16.80 C ATOM 164 CG2 ILE A 20 -15.603 47.622 11.873 1.00 12.69 C ATOM 165 CD1 ILE A 20 -16.743 45.552 9.909 1.00 13.23 C ATOM 166 H ILE A 20 -15.829 43.973 13.678 1.00 0.00 H ATOM 167 N VAL A 21 -13.677 47.376 14.669 1.00 11.50 N ATOM 168 CA VAL A 21 -13.697 48.292 15.806 1.00 13.51 C ATOM 169 C VAL A 21 -13.724 49.738 15.327 1.00 15.81 C ATOM 170 O VAL A 21 -12.877 50.157 14.536 1.00 14.83 O ATOM 171 CB VAL A 21 -12.498 48.068 16.743 1.00 16.21 C ATOM 172 CG1 VAL A 21 -12.537 49.049 17.909 1.00 15.24 C ATOM 173 CG2 VAL A 21 -12.493 46.638 17.253 1.00 17.96 C ATOM 174 H VAL A 21 -12.828 47.317 14.071 1.00 0.00 H ATOM 175 N MET A 22 -14.702 50.499 15.811 1.00 13.18 N ATOM 176 CA MET A 22 -14.903 51.866 15.345 1.00 14.92 C ATOM 177 C MET A 22 -14.796 52.886 16.471 1.00 17.32 C ATOM 178 O MET A 22 -15.400 52.725 17.534 1.00 16.81 O ATOM 179 CB MET A 22 -16.266 51.998 14.657 1.00 15.14 C ATOM 180 CG MET A 22 -16.378 51.250 13.335 1.00 14.98 C ATOM 181 SD MET A 22 -18.040 50.618 13.033 1.00 16.97 S ATOM 182 CE MET A 22 -18.111 49.324 14.271 1.00 12.47 C ATOM 183 H MET A 22 -15.337 50.111 16.537 1.00 0.00 H ATOM 184 N GLU A 23 -14.020 53.937 16.232 1.00 16.06 N ATOM 185 CA GLU A 23 -13.968 55.060 17.155 1.00 15.18 C ATOM 186 C GLU A 23 -15.024 56.067 16.731 1.00 18.14 C ATOM 187 O GLU A 23 -15.119 56.415 15.552 1.00 15.62 O ATOM 188 CB GLU A 23 -12.585 55.713 17.133 1.00 19.36 C ATOM 189 CG GLU A 23 -12.481 56.991 17.960 1.00 21.28 C ATOM 190 CD GLU A 23 -11.192 57.755 17.707 1.00 25.90 C ATOM 191 OE1 GLU A 23 -10.252 57.170 17.128 1.00 30.69 O ATOM 192 OE2 GLU A 23 -11.122 58.944 18.081 1.00 24.13 O ATOM 193 H GLU A 23 -13.439 53.957 15.370 1.00 0.00 H ATOM 194 N LEU A 24 -15.821 56.529 17.688 1.00 14.20 N ATOM 195 CA LEU A 24 -16.876 57.489 17.389 1.00 17.61 C ATOM 196 C LEU A 24 -16.473 58.895 17.817 1.00 19.41 C ATOM 197 O LEU A 24 -16.033 59.108 18.948 1.00 17.14 O ATOM 198 CB LEU A 24 -18.182 57.082 18.068 1.00 16.16 C ATOM 199 CG LEU A 24 -18.620 55.633 17.858 1.00 19.49 C ATOM 200 CD1 LEU A 24 -20.022 55.423 18.402 1.00 13.93 C ATOM 201 CD2 LEU A 24 -18.541 55.221 16.390 1.00 11.38 C ATOM 202 H LEU A 24 -15.690 56.200 18.666 1.00 0.00 H ATOM 203 N PHE A 25 -16.635 59.853 16.911 1.00 17.78 N ATOM 204 CA PHE A 25 -16.200 61.221 17.163 1.00 17.46 C ATOM 205 C PHE A 25 -17.216 62.002 17.996 1.00 20.08 C ATOM 206 O PHE A 25 -17.834 62.948 17.508 1.00 16.60 O ATOM 207 CB PHE A 25 -15.938 61.947 15.843 1.00 18.73 C ATOM 208 CG PHE A 25 -14.977 61.232 14.936 1.00 18.54 C ATOM 209 CD1 PHE A 25 -13.933 60.479 15.457 1.00 17.70 C ATOM 210 CD2 PHE A 25 -15.119 61.313 13.560 1.00 18.81 C ATOM 211 CE1 PHE A 25 -13.047 59.817 14.617 1.00 24.05 C ATOM 212 CE2 PHE A 25 -14.242 60.657 12.716 1.00 21.30 C ATOM 213 CZ PHE A 25 -13.204 59.907 13.244 1.00 21.83 C ATOM 214 H PHE A 25 -17.082 59.622 16.001 1.00 0.00 H ATOM 215 N ALA A 26 -17.380 61.610 19.255 1.00 20.56 N ATOM 216 CA ALA A 26 -18.307 62.296 20.150 1.00 21.09 C ATOM 217 C ALA A 26 -17.851 63.722 20.452 1.00 24.71 C ATOM 218 O ALA A 26 -18.665 64.586 20.783 1.00 19.52 O ATOM 219 CB ALA A 26 -18.481 61.510 21.436 1.00 19.46 C ATOM 220 H ALA A 26 -16.837 60.798 19.610 1.00 0.00 H ATOM 221 N ASP A 27 -16.547 63.958 20.342 1.00 22.02 N ATOM 222 CA ASP A 27 -15.979 65.272 20.626 1.00 26.06 C ATOM 223 C ASP A 27 -16.130 66.215 19.435 1.00 25.74 C ATOM 224 O ASP A 27 -15.764 67.388 19.509 1.00 31.52 O ATOM 225 CB ASP A 27 -14.503 65.140 21.004 1.00 20.73 C ATOM 226 CG ASP A 27 -13.681 64.479 19.913 1.00 29.87 C ATOM 227 OD1 ASP A 27 -14.273 63.828 19.024 1.00 26.41 O ATOM 228 OD2 ASP A 27 -12.439 64.603 19.948 1.00 36.69 O ATOM 229 H ASP A 27 -15.916 63.186 20.046 1.00 0.00 H ATOM 230 N VAL A 28 -16.664 65.689 18.336 1.00 23.72 N ATOM 231 CA VAL A 28 -16.908 66.483 17.136 1.00 21.33 C ATOM 232 C VAL A 28 -18.382 66.410 16.751 1.00 22.37 C ATOM 233 O VAL A 28 -18.993 67.416 16.387 1.00 20.99 O ATOM 234 CB VAL A 28 -16.035 66.004 15.961 1.00 21.05 C ATOM 235 CG1 VAL A 28 -16.442 66.693 14.662 1.00 18.51 C ATOM 236 CG2 VAL A 28 -14.565 66.249 16.262 1.00 25.25 C ATOM 237 H VAL A 28 -16.916 64.680 18.332 1.00 0.00 H ATOM 238 N THR A 29 -18.946 65.211 16.847 1.00 20.99 N ATOM 239 CA THR A 29 -20.351 64.983 16.529 1.00 24.24 C ATOM 240 C THR A 29 -21.045 64.199 17.640 1.00 19.14 C ATOM 241 O THR A 29 -21.357 63.021 17.463 1.00 20.46 O ATOM 242 CB THR A 29 -20.499 64.190 15.220 1.00 19.90 C ATOM 243 OG1 THR A 29 -19.656 63.032 15.270 1.00 17.17 O ATOM 244 CG2 THR A 29 -20.101 65.043 14.027 1.00 22.62 C ATOM 245 HG1 THR A 29 -19.924 62.463 16.035 1.00 0.00 H ATOM 246 H THR A 29 -18.365 64.407 17.160 1.00 0.00 H ATOM 247 N PRO A 30 -21.295 64.856 18.786 1.00 19.19 N ATOM 248 CA PRO A 30 -21.867 64.201 19.971 1.00 19.75 C ATOM 249 C PRO A 30 -23.233 63.544 19.751 1.00 17.28 C ATOM 250 O PRO A 30 -23.434 62.432 20.236 1.00 20.22 O ATOM 251 CB PRO A 30 -21.981 65.345 20.991 1.00 19.10 C ATOM 252 CG PRO A 30 -21.869 66.606 20.199 1.00 18.30 C ATOM 253 CD PRO A 30 -20.980 66.272 19.044 1.00 19.53 C ATOM 254 N ARG A 31 -24.151 64.210 19.057 1.00 15.59 N ATOM 255 CA ARG A 31 -25.476 63.638 18.812 1.00 20.11 C ATOM 256 C ARG A 31 -25.421 62.418 17.894 1.00 18.41 C ATOM 257 O ARG A 31 -26.056 61.394 18.160 1.00 19.20 O ATOM 258 CB ARG A 31 -26.414 64.684 18.208 1.00 22.47 C ATOM 259 CG ARG A 31 -26.933 65.721 19.186 1.00 26.17 C ATOM 260 CD ARG A 31 -28.024 66.560 18.536 1.00 33.88 C ATOM 261 NE ARG A 31 -29.286 65.831 18.403 1.00 37.60 N ATOM 262 CZ ARG A 31 -30.216 66.101 17.491 1.00 40.30 C ATOM 263 NH1 ARG A 31 -30.028 67.077 16.614 1.00 40.42 N ATOM 264 NH2 ARG A 31 -31.334 65.388 17.449 1.00 30.93 N ATOM 265 HE ARG A 31 -29.468 65.050 19.065 1.00 0.00 H ATOM 266 HH12 ARG A 31 -30.758 67.285 15.903 1.00 0.00 H ATOM 267 HH11 ARG A 31 -29.151 67.635 16.637 1.00 0.00 H ATOM 268 HH22 ARG A 31 -32.060 65.601 16.735 1.00 0.00 H ATOM 269 HH21 ARG A 31 -31.485 64.616 18.130 1.00 0.00 H ATOM 270 H ARG A 31 -23.924 65.153 18.682 1.00 0.00 H ATOM 271 N THR A 32 -24.660 62.536 16.810 1.00 17.72 N ATOM 272 CA THR A 32 -24.548 61.460 15.828 1.00 17.77 C ATOM 273 C THR A 32 -23.793 60.264 16.400 1.00 14.59 C ATOM 274 O THR A 32 -24.159 59.115 16.155 1.00 18.60 O ATOM 275 CB THR A 32 -23.852 61.940 14.541 1.00 16.21 C ATOM 276 OG1 THR A 32 -24.498 63.126 14.060 1.00 17.84 O ATOM 277 CG2 THR A 32 -23.917 60.866 13.470 1.00 15.66 C ATOM 278 HG1 THR A 32 -24.441 63.834 14.750 1.00 0.00 H ATOM 279 H THR A 32 -24.130 63.418 16.657 1.00 0.00 H ATOM 280 N ALA A 33 -22.740 60.539 17.163 1.00 12.86 N ATOM 281 CA ALA A 33 -21.968 59.479 17.801 1.00 14.39 C ATOM 282 C ALA A 33 -22.833 58.706 18.784 1.00 16.62 C ATOM 283 O ALA A 33 -22.866 57.474 18.759 1.00 18.81 O ATOM 284 CB ALA A 33 -20.752 60.054 18.506 1.00 15.80 C ATOM 285 H ALA A 33 -22.461 61.530 17.308 1.00 0.00 H ATOM 286 N GLU A 34 -23.527 59.440 19.651 1.00 16.03 N ATOM 287 CA GLU A 34 -24.363 58.828 20.679 1.00 17.04 C ATOM 288 C GLU A 34 -25.459 57.951 20.087 1.00 14.83 C ATOM 289 O GLU A 34 -25.770 56.889 20.630 1.00 15.37 O ATOM 290 CB GLU A 34 -24.980 59.894 21.591 1.00 17.16 C ATOM 291 CG GLU A 34 -25.914 59.336 22.666 1.00 18.85 C ATOM 292 CD GLU A 34 -25.209 58.443 23.681 1.00 19.33 C ATOM 293 OE1 GLU A 34 -23.960 58.442 23.735 1.00 20.35 O ATOM 294 OE2 GLU A 34 -25.915 57.739 24.436 1.00 19.55 O ATOM 295 H GLU A 34 -23.472 60.477 19.594 1.00 0.00 H ATOM 296 N ASN A 35 -26.047 58.398 18.982 1.00 16.78 N ATOM 297 CA ASN A 35 -27.044 57.595 18.288 1.00 14.49 C ATOM 298 C ASN A 35 -26.447 56.266 17.839 1.00 18.78 C ATOM 299 O ASN A 35 -27.028 55.208 18.079 1.00 19.30 O ATOM 300 CB ASN A 35 -27.616 58.344 17.085 1.00 17.09 C ATOM 301 CG ASN A 35 -28.678 57.541 16.353 1.00 18.76 C ATOM 302 OD1 ASN A 35 -29.632 57.054 16.962 1.00 15.41 O ATOM 303 ND2 ASN A 35 -28.505 57.379 15.045 1.00 15.76 N ATOM 304 HD22 ASN A 35 -27.684 57.808 14.572 1.00 0.00 H ATOM 305 HD21 ASN A 35 -29.190 56.823 14.495 1.00 0.00 H ATOM 306 H ASN A 35 -25.792 59.334 18.608 1.00 0.00 H ATOM 307 N PHE A 36 -25.282 56.326 17.198 1.00 13.93 N ATOM 308 CA PHE A 36 -24.612 55.122 16.719 1.00 15.35 C ATOM 309 C PHE A 36 -24.188 54.236 17.882 1.00 15.19 C ATOM 310 O PHE A 36 -24.430 53.027 17.870 1.00 14.53 O ATOM 311 CB PHE A 36 -23.393 55.477 15.864 1.00 15.29 C ATOM 312 CG PHE A 36 -22.843 54.313 15.081 1.00 14.91 C ATOM 313 CD1 PHE A 36 -21.821 53.528 15.596 1.00 11.41 C ATOM 314 CD2 PHE A 36 -23.356 54.001 13.831 1.00 14.35 C ATOM 315 CE1 PHE A 36 -21.319 52.454 14.875 1.00 11.87 C ATOM 316 CE2 PHE A 36 -22.859 52.930 13.104 1.00 15.05 C ATOM 317 CZ PHE A 36 -21.839 52.155 13.628 1.00 15.31 C ATOM 318 H PHE A 36 -24.839 57.253 17.035 1.00 0.00 H ATOM 319 N ARG A 37 -23.554 54.843 18.881 1.00 13.44 N ATOM 320 CA ARG A 37 -23.094 54.113 20.060 1.00 15.99 C ATOM 321 C ARG A 37 -24.238 53.367 20.740 1.00 16.85 C ATOM 322 O ARG A 37 -24.107 52.196 21.099 1.00 15.99 O ATOM 323 CB ARG A 37 -22.452 55.071 21.067 1.00 17.66 C ATOM 324 CG ARG A 37 -21.839 54.361 22.268 1.00 17.70 C ATOM 325 CD ARG A 37 -21.749 55.271 23.485 1.00 17.66 C ATOM 326 NE ARG A 37 -23.070 55.696 23.938 1.00 20.47 N ATOM 327 CZ ARG A 37 -23.845 54.986 24.753 1.00 17.93 C ATOM 328 NH1 ARG A 37 -25.033 55.451 25.109 1.00 16.87 N ATOM 329 NH2 ARG A 37 -23.435 53.810 25.209 1.00 17.30 N ATOM 330 HE ARG A 37 -23.428 56.613 23.602 1.00 0.00 H ATOM 331 HH12 ARG A 37 -25.639 54.896 25.746 1.00 0.00 H ATOM 332 HH11 ARG A 37 -25.360 56.371 24.751 1.00 0.00 H ATOM 333 HH22 ARG A 37 -24.044 53.258 25.846 1.00 0.00 H ATOM 334 HH21 ARG A 37 -22.504 53.440 24.929 1.00 0.00 H ATOM 335 H ARG A 37 -23.381 55.867 18.821 1.00 0.00 H ATOM 336 N ALA A 38 -25.359 54.058 20.916 1.00 17.24 N ATOM 337 CA ALA A 38 -26.515 53.485 21.595 1.00 17.07 C ATOM 338 C ALA A 38 -27.093 52.308 20.816 1.00 18.21 C ATOM 339 O ALA A 38 -27.519 51.313 21.406 1.00 18.35 O ATOM 340 CB ALA A 38 -27.573 54.547 21.816 1.00 18.38 C ATOM 341 H ALA A 38 -25.413 55.034 20.560 1.00 0.00 H ATOM 342 N LEU A 39 -27.111 52.429 19.492 1.00 14.86 N ATOM 343 CA LEU A 39 -27.626 51.366 18.631 1.00 20.12 C ATOM 344 C LEU A 39 -26.699 50.150 18.606 1.00 17.68 C ATOM 345 O LEU A 39 -27.094 49.067 18.171 1.00 18.20 O ATOM 346 CB LEU A 39 -27.865 51.889 17.212 1.00 14.96 C ATOM 347 CG LEU A 39 -29.030 52.870 17.063 1.00 14.93 C ATOM 348 CD1 LEU A 39 -29.024 53.542 15.697 1.00 15.68 C ATOM 349 CD2 LEU A 39 -30.351 52.160 17.302 1.00 15.85 C ATOM 350 H LEU A 39 -26.749 53.302 19.058 1.00 0.00 H ATOM 351 N CYS A 40 -25.467 50.334 19.072 1.00 15.37 N ATOM 352 CA CYS A 40 -24.517 49.232 19.177 1.00 15.63 C ATOM 353 C CYS A 40 -24.752 48.414 20.450 1.00 17.87 C ATOM 354 O CYS A 40 -24.581 47.197 20.454 1.00 17.92 O ATOM 355 CB CYS A 40 -23.075 49.754 19.137 1.00 18.28 C ATOM 356 SG CYS A 40 -22.471 50.248 17.492 1.00 11.40 S ATOM 357 H CYS A 40 -25.174 51.287 19.369 1.00 0.00 H ATOM 358 N THR A 41 -25.163 49.086 21.521 1.00 15.51 N ATOM 359 CA THR A 41 -25.355 48.431 22.814 1.00 18.89 C ATOM 360 C THR A 41 -26.755 47.850 22.984 1.00 15.28 C ATOM 361 O THR A 41 -26.938 46.853 23.687 1.00 20.10 O ATOM 362 CB THR A 41 -25.088 49.399 23.981 1.00 15.80 C ATOM 363 OG1 THR A 41 -25.984 50.513 23.890 1.00 16.97 O ATOM 364 CG2 THR A 41 -23.658 49.902 23.933 1.00 16.41 C ATOM 365 HG1 THR A 41 -25.812 51.135 24.640 1.00 0.00 H ATOM 366 H THR A 41 -25.353 50.105 21.437 1.00 0.00 H ATOM 367 N GLY A 42 -27.740 48.482 22.353 1.00 16.31 N ATOM 368 CA GLY A 42 -29.123 48.068 22.504 1.00 19.71 C ATOM 369 C GLY A 42 -29.772 48.723 23.711 1.00 19.41 C ATOM 370 O GLY A 42 -30.918 48.411 24.051 1.00 23.30 O ATOM 371 H GLY A 42 -27.515 49.290 21.738 1.00 0.00 H ATOM 372 N GLU A 43 -29.024 49.631 24.343 1.00 20.05 N ATOM 373 CA GLU A 43 -29.435 50.376 25.542 1.00 25.43 C ATOM 374 C GLU A 43 -30.904 50.780 25.593 1.00 23.94 C ATOM 375 O GLU A 43 -31.571 50.598 26.612 1.00 27.57 O ATOM 376 CB GLU A 43 -28.609 51.664 25.663 1.00 22.03 C ATOM 377 CG GLU A 43 -27.318 51.560 26.455 1.00 28.29 C ATOM 378 CD GLU A 43 -26.374 52.708 26.152 1.00 24.20 C ATOM 379 OE1 GLU A 43 -26.812 53.877 26.223 1.00 22.32 O ATOM 380 OE2 GLU A 43 -25.196 52.441 25.833 1.00 22.95 O ATOM 381 H GLU A 43 -28.078 49.826 23.957 1.00 0.00 H ATOM 382 N LYS A 44 -31.395 51.339 24.491 1.00 22.61 N ATOM 383 CA LYS A 44 -32.676 52.040 24.494 1.00 23.46 C ATOM 384 C LYS A 44 -33.903 51.133 24.375 1.00 21.27 C ATOM 385 O LYS A 44 -35.038 51.600 24.503 1.00 30.36 O ATOM 386 CB LYS A 44 -32.695 53.103 23.392 1.00 25.24 C ATOM 387 CG LYS A 44 -31.512 54.073 23.432 1.00 26.22 C ATOM 388 CD LYS A 44 -31.417 54.794 24.773 1.00 29.28 C ATOM 389 CE LYS A 44 -30.327 55.864 24.759 1.00 27.89 C ATOM 390 NZ LYS A 44 -30.121 56.488 26.100 1.00 31.40 N ATOM 391 HZ1 LYS A 44 -31.006 56.936 26.412 1.00 0.00 H ATOM 392 HZ2 LYS A 44 -29.842 55.755 26.783 1.00 0.00 H ATOM 393 HZ3 LYS A 44 -29.372 57.206 26.035 1.00 0.00 H ATOM 394 H LYS A 44 -30.854 51.275 23.605 1.00 0.00 H ATOM 395 N GLY A 45 -33.677 49.844 24.137 1.00 19.16 N ATOM 396 CA GLY A 45 -34.768 48.889 24.051 1.00 24.37 C ATOM 397 C GLY A 45 -35.531 48.943 22.741 1.00 30.50 C ATOM 398 O GLY A 45 -34.938 48.861 21.664 1.00 25.09 O ATOM 399 H GLY A 45 -32.699 49.513 24.010 1.00 0.00 H ATOM 400 N ILE A 46 -36.849 49.092 22.840 1.00 24.44 N ATOM 401 CA ILE A 46 -37.734 48.996 21.683 1.00 24.21 C ATOM 402 C ILE A 46 -38.093 50.354 21.078 1.00 29.35 C ATOM 403 O ILE A 46 -38.534 51.264 21.784 1.00 33.02 O ATOM 404 CB ILE A 46 -39.033 48.248 22.052 1.00 30.99 C ATOM 405 CG1 ILE A 46 -38.709 46.838 22.552 1.00 26.42 C ATOM 406 CG2 ILE A 46 -39.976 48.188 20.862 1.00 23.49 C ATOM 407 CD1 ILE A 46 -37.914 46.011 21.564 1.00 26.14 C ATOM 408 H ILE A 46 -37.264 49.284 23.774 1.00 0.00 H ATOM 409 N GLY A 47 -37.913 50.477 19.766 1.00 28.75 N ATOM 410 CA GLY A 47 -38.256 51.698 19.060 1.00 26.08 C ATOM 411 C GLY A 47 -39.712 51.739 18.632 1.00 30.19 C ATOM 412 O GLY A 47 -40.474 50.810 18.909 1.00 27.75 O ATOM 413 H GLY A 47 -37.516 49.678 19.232 1.00 0.00 H ATOM 414 N LYS A 48 -40.096 52.813 17.946 1.00 28.57 N ATOM 415 CA LYS A 48 -41.470 52.996 17.488 1.00 31.58 C ATOM 416 C LYS A 48 -41.859 51.931 16.463 1.00 27.30 C ATOM 417 O LYS A 48 -43.041 51.737 16.172 1.00 32.40 O ATOM 418 CB LYS A 48 -41.632 54.387 16.869 1.00 31.11 C ATOM 419 CG LYS A 48 -40.791 55.473 17.531 1.00 38.47 C ATOM 420 CD LYS A 48 -41.308 55.847 18.911 1.00 35.08 C ATOM 421 CE LYS A 48 -42.136 57.122 18.856 1.00 47.04 C ATOM 422 NZ LYS A 48 -41.369 58.243 18.240 1.00 45.80 N ATOM 423 HZ1 LYS A 48 -40.515 58.428 18.804 1.00 0.00 H ATOM 424 HZ2 LYS A 48 -41.097 57.984 17.270 1.00 0.00 H ATOM 425 HZ3 LYS A 48 -41.963 59.097 18.218 1.00 0.00 H ATOM 426 H LYS A 48 -39.393 53.548 17.729 1.00 0.00 H ATOM 427 N SER A 49 -40.856 51.247 15.919 1.00 31.78 N ATOM 428 CA SER A 49 -41.065 50.229 14.896 1.00 27.35 C ATOM 429 C SER A 49 -41.423 48.884 15.521 1.00 29.73 C ATOM 430 O SER A 49 -41.819 47.948 14.821 1.00 33.49 O ATOM 431 CB SER A 49 -39.811 50.083 14.033 1.00 29.28 C ATOM 432 OG SER A 49 -38.734 49.558 14.789 1.00 30.40 O ATOM 433 HG SER A 49 -38.533 50.168 15.542 1.00 0.00 H ATOM 434 H SER A 49 -39.886 51.446 16.235 1.00 0.00 H ATOM 435 N GLY A 50 -41.288 48.795 16.841 1.00 25.57 N ATOM 436 CA GLY A 50 -41.590 47.569 17.558 1.00 23.48 C ATOM 437 C GLY A 50 -40.394 46.636 17.636 1.00 28.49 C ATOM 438 O GLY A 50 -40.478 45.548 18.211 1.00 28.40 O ATOM 439 H GLY A 50 -40.958 49.625 17.374 1.00 0.00 H ATOM 440 N LYS A 51 -39.279 47.066 17.052 1.00 26.17 N ATOM 441 CA LYS A 51 -38.063 46.263 17.033 1.00 29.42 C ATOM 442 C LYS A 51 -36.995 46.938 17.885 1.00 24.52 C ATOM 443 O LYS A 51 -36.973 48.166 17.993 1.00 22.63 O ATOM 444 CB LYS A 51 -37.561 46.084 15.596 1.00 31.38 C ATOM 445 CG LYS A 51 -38.649 45.734 14.586 1.00 34.36 C ATOM 446 CD LYS A 51 -38.050 45.212 13.286 1.00 35.42 C ATOM 447 CE LYS A 51 -37.969 43.692 13.270 1.00 41.86 C ATOM 448 NZ LYS A 51 -39.075 43.080 12.478 1.00 43.33 N ATOM 449 HZ1 LYS A 51 -39.989 43.352 12.893 1.00 0.00 H ATOM 450 HZ2 LYS A 51 -39.025 43.418 11.496 1.00 0.00 H ATOM 451 HZ3 LYS A 51 -38.980 42.044 12.495 1.00 0.00 H ATOM 452 H LYS A 51 -39.275 48.001 16.596 1.00 0.00 H ATOM 453 N PRO A 52 -36.110 46.138 18.503 1.00 26.02 N ATOM 454 CA PRO A 52 -35.032 46.697 19.328 1.00 24.51 C ATOM 455 C PRO A 52 -34.165 47.702 18.577 1.00 21.49 C ATOM 456 O PRO A 52 -33.787 47.466 17.428 1.00 23.00 O ATOM 457 CB PRO A 52 -34.198 45.464 19.713 1.00 26.56 C ATOM 458 CG PRO A 52 -34.658 44.357 18.801 1.00 28.66 C ATOM 459 CD PRO A 52 -36.092 44.666 18.507 1.00 25.89 C ATOM 460 N LEU A 53 -33.873 48.823 19.227 1.00 19.21 N ATOM 461 CA LEU A 53 -32.958 49.810 18.677 1.00 19.42 C ATOM 462 C LEU A 53 -31.542 49.269 18.813 1.00 19.52 C ATOM 463 O LEU A 53 -30.803 49.638 19.727 1.00 16.30 O ATOM 464 CB LEU A 53 -33.113 51.137 19.416 1.00 17.97 C ATOM 465 CG LEU A 53 -34.531 51.701 19.324 1.00 22.03 C ATOM 466 CD1 LEU A 53 -34.795 52.723 20.420 1.00 22.89 C ATOM 467 CD2 LEU A 53 -34.770 52.311 17.953 1.00 17.70 C ATOM 468 H LEU A 53 -34.310 48.999 20.154 1.00 0.00 H ATOM 469 N HIS A 54 -31.175 48.391 17.883 1.00 15.76 N ATOM 470 CA HIS A 54 -29.974 47.578 18.021 1.00 18.05 C ATOM 471 C HIS A 54 -29.538 47.059 16.650 1.00 17.51 C ATOM 472 O HIS A 54 -30.340 46.472 15.921 1.00 15.05 O ATOM 473 CB HIS A 54 -30.280 46.404 18.954 1.00 16.63 C ATOM 474 CG HIS A 54 -29.075 45.791 19.591 1.00 15.14 C ATOM 475 ND1 HIS A 54 -29.149 44.681 20.403 1.00 16.47 N ATOM 476 CD2 HIS A 54 -27.763 46.134 19.544 1.00 16.16 C ATOM 477 CE1 HIS A 54 -27.940 44.362 20.826 1.00 19.34 C ATOM 478 NE2 HIS A 54 -27.081 45.228 20.318 1.00 19.48 N ATOM 479 H HIS A 54 -31.763 48.282 17.032 1.00 0.00 H ATOM 480 N TYR A 55 -28.271 47.278 16.302 1.00 15.47 N ATOM 481 CA TYR A 55 -27.732 46.834 15.016 1.00 13.87 C ATOM 482 C TYR A 55 -27.568 45.321 14.950 1.00 13.77 C ATOM 483 O TYR A 55 -27.443 44.750 13.864 1.00 12.84 O ATOM 484 CB TYR A 55 -26.369 47.482 14.759 1.00 12.41 C ATOM 485 CG TYR A 55 -26.423 48.930 14.332 1.00 12.74 C ATOM 486 CD1 TYR A 55 -27.320 49.358 13.362 1.00 13.46 C ATOM 487 CD2 TYR A 55 -25.571 49.868 14.897 1.00 13.88 C ATOM 488 CE1 TYR A 55 -27.366 50.684 12.968 1.00 15.18 C ATOM 489 CE2 TYR A 55 -25.610 51.193 14.513 1.00 15.34 C ATOM 490 CZ TYR A 55 -26.508 51.595 13.548 1.00 14.27 C ATOM 491 OH TYR A 55 -26.548 52.914 13.163 1.00 11.38 O ATOM 492 HH TYR A 55 -27.242 53.033 12.467 1.00 0.00 H ATOM 493 H TYR A 55 -27.646 47.780 16.964 1.00 0.00 H ATOM 494 N LYS A 56 -27.557 44.683 16.116 1.00 13.18 N ATOM 495 CA LYS A 56 -27.298 43.248 16.214 1.00 15.09 C ATOM 496 C LYS A 56 -28.240 42.423 15.342 1.00 15.68 C ATOM 497 O LYS A 56 -29.462 42.540 15.446 1.00 13.98 O ATOM 498 CB LYS A 56 -27.389 42.787 17.671 1.00 15.90 C ATOM 499 CG LYS A 56 -26.928 41.356 17.904 1.00 17.34 C ATOM 500 CD LYS A 56 -26.768 41.070 19.393 1.00 20.22 C ATOM 501 CE LYS A 56 -26.336 39.633 19.634 1.00 22.07 C ATOM 502 NZ LYS A 56 -26.058 39.357 21.068 1.00 24.90 N ATOM 503 HZ1 LYS A 56 -25.295 39.982 21.398 1.00 0.00 H ATOM 504 HZ2 LYS A 56 -26.918 39.532 21.626 1.00 0.00 H ATOM 505 HZ3 LYS A 56 -25.767 38.365 21.179 1.00 0.00 H ATOM 506 H LYS A 56 -27.739 45.222 16.987 1.00 0.00 H ATOM 507 N GLY A 57 -27.663 41.606 14.467 1.00 12.81 N ATOM 508 CA GLY A 57 -28.450 40.751 13.598 1.00 14.88 C ATOM 509 C GLY A 57 -28.769 41.389 12.259 1.00 15.01 C ATOM 510 O GLY A 57 -29.272 40.720 11.355 1.00 17.47 O ATOM 511 H GLY A 57 -26.625 41.579 14.404 1.00 0.00 H ATOM 512 N SER A 58 -28.485 42.682 12.124 1.00 12.99 N ATOM 513 CA SER A 58 -28.752 43.376 10.867 1.00 12.82 C ATOM 514 C SER A 58 -27.641 43.115 9.850 1.00 15.68 C ATOM 515 O SER A 58 -26.576 42.593 10.195 1.00 14.32 O ATOM 516 CB SER A 58 -28.953 44.876 11.085 1.00 13.02 C ATOM 517 OG SER A 58 -27.769 45.500 11.541 1.00 11.56 O ATOM 518 HG SER A 58 -27.493 45.093 12.400 1.00 0.00 H ATOM 519 H SER A 58 -28.069 43.204 12.922 1.00 0.00 H ATOM 520 N SER A 59 -27.897 43.472 8.596 1.00 14.46 N ATOM 521 CA SER A 59 -26.984 43.137 7.511 1.00 12.23 C ATOM 522 C SER A 59 -26.426 44.352 6.788 1.00 15.86 C ATOM 523 O SER A 59 -26.936 45.466 6.927 1.00 15.98 O ATOM 524 CB SER A 59 -27.685 42.231 6.496 1.00 16.72 C ATOM 525 OG SER A 59 -28.094 41.016 7.093 1.00 18.20 O ATOM 526 HG SER A 59 -28.723 41.209 7.833 1.00 0.00 H ATOM 527 H SER A 59 -28.767 44.001 8.385 1.00 0.00 H ATOM 528 N PHE A 60 -25.360 44.121 6.027 1.00 13.27 N ATOM 529 CA PHE A 60 -24.909 45.079 5.032 1.00 14.74 C ATOM 530 C PHE A 60 -25.613 44.709 3.732 1.00 15.88 C ATOM 531 O PHE A 60 -25.333 43.664 3.140 1.00 17.40 O ATOM 532 CB PHE A 60 -23.388 45.022 4.874 1.00 13.41 C ATOM 533 CG PHE A 60 -22.637 45.770 5.943 1.00 14.61 C ATOM 534 CD1 PHE A 60 -22.091 47.017 5.676 1.00 15.33 C ATOM 535 CD2 PHE A 60 -22.485 45.234 7.216 1.00 18.08 C ATOM 536 CE1 PHE A 60 -21.399 47.714 6.654 1.00 19.58 C ATOM 537 CE2 PHE A 60 -21.794 45.927 8.201 1.00 16.89 C ATOM 538 CZ PHE A 60 -21.251 47.170 7.918 1.00 15.54 C ATOM 539 H PHE A 60 -24.835 43.231 6.147 1.00 0.00 H ATOM 540 N HIS A 61 -26.544 45.558 3.309 1.00 14.05 N ATOM 541 CA HIS A 61 -27.457 45.233 2.219 1.00 16.24 C ATOM 542 C HIS A 61 -26.994 45.822 0.891 1.00 18.65 C ATOM 543 O HIS A 61 -27.489 45.449 -0.178 1.00 15.32 O ATOM 544 CB HIS A 61 -28.849 45.772 2.548 1.00 14.22 C ATOM 545 CG HIS A 61 -28.902 47.265 2.641 1.00 19.53 C ATOM 546 ND1 HIS A 61 -28.623 47.953 3.802 1.00 18.60 N ATOM 547 CD2 HIS A 61 -29.188 48.205 1.705 1.00 20.03 C ATOM 548 CE1 HIS A 61 -28.742 49.252 3.580 1.00 16.14 C ATOM 549 NE2 HIS A 61 -29.082 49.430 2.320 1.00 14.26 N ATOM 550 H HIS A 61 -26.624 46.486 3.771 1.00 0.00 H ATOM 551 N ARG A 62 -26.044 46.747 0.969 1.00 14.45 N ATOM 552 CA ARG A 62 -25.542 47.432 -0.214 1.00 13.49 C ATOM 553 C ARG A 62 -24.030 47.604 -0.125 1.00 14.75 C ATOM 554 O ARG A 62 -23.531 48.398 0.677 1.00 15.28 O ATOM 555 CB ARG A 62 -26.228 48.790 -0.366 1.00 13.90 C ATOM 556 CG ARG A 62 -25.901 49.516 -1.660 1.00 15.42 C ATOM 557 CD ARG A 62 -26.954 50.571 -1.960 1.00 17.67 C ATOM 558 NE ARG A 62 -26.574 51.418 -3.084 1.00 13.63 N ATOM 559 CZ ARG A 62 -25.885 52.548 -2.960 1.00 20.15 C ATOM 560 NH1 ARG A 62 -25.500 52.964 -1.760 1.00 18.43 N ATOM 561 NH2 ARG A 62 -25.580 53.261 -4.034 1.00 23.57 N ATOM 562 HE ARG A 62 -26.859 51.121 -4.039 1.00 0.00 H ATOM 563 HH12 ARG A 62 -24.961 53.848 -1.664 1.00 0.00 H ATOM 564 HH11 ARG A 62 -25.737 52.406 -0.915 1.00 0.00 H ATOM 565 HH22 ARG A 62 -25.041 54.145 -3.936 1.00 0.00 H ATOM 566 HH21 ARG A 62 -25.880 52.937 -4.976 1.00 0.00 H ATOM 567 H ARG A 62 -25.648 46.989 1.900 1.00 0.00 H ATOM 568 N VAL A 63 -23.305 46.848 -0.944 1.00 13.74 N ATOM 569 CA VAL A 63 -21.847 46.887 -0.929 1.00 11.82 C ATOM 570 C VAL A 63 -21.288 47.088 -2.337 1.00 18.38 C ATOM 571 O VAL A 63 -21.478 46.247 -3.219 1.00 12.51 O ATOM 572 CB VAL A 63 -21.253 45.603 -0.312 1.00 12.41 C ATOM 573 CG1 VAL A 63 -19.744 45.607 -0.446 1.00 16.92 C ATOM 574 CG2 VAL A 63 -21.648 45.474 1.156 1.00 14.16 C ATOM 575 H VAL A 63 -23.789 46.214 -1.611 1.00 0.00 H ATOM 576 N ILE A 64 -20.602 48.209 -2.542 1.00 13.52 N ATOM 577 CA ILE A 64 -19.993 48.511 -3.831 1.00 17.22 C ATOM 578 C ILE A 64 -18.474 48.544 -3.685 1.00 16.88 C ATOM 579 O ILE A 64 -17.929 49.416 -3.006 1.00 16.86 O ATOM 580 CB ILE A 64 -20.522 49.843 -4.397 1.00 13.60 C ATOM 581 CG1 ILE A 64 -22.040 49.762 -4.589 1.00 15.42 C ATOM 582 CG2 ILE A 64 -19.843 50.178 -5.711 1.00 14.86 C ATOM 583 CD1 ILE A 64 -22.711 51.092 -4.905 1.00 15.45 C ATOM 584 H ILE A 64 -20.497 48.888 -1.761 1.00 0.00 H ATOM 585 N PRO A 65 -17.787 47.579 -4.319 1.00 15.85 N ATOM 586 CA PRO A 65 -16.334 47.400 -4.206 1.00 20.16 C ATOM 587 C PRO A 65 -15.573 48.637 -4.669 1.00 17.94 C ATOM 588 O PRO A 65 -15.843 49.142 -5.761 1.00 18.20 O ATOM 589 CB PRO A 65 -16.049 46.226 -5.152 1.00 17.71 C ATOM 590 CG PRO A 65 -17.364 45.507 -5.286 1.00 17.91 C ATOM 591 CD PRO A 65 -18.394 46.592 -5.231 1.00 15.54 C ATOM 592 N GLY A 66 -14.641 49.115 -3.847 1.00 18.27 N ATOM 593 CA GLY A 66 -13.858 50.292 -4.183 1.00 18.24 C ATOM 594 C GLY A 66 -14.529 51.591 -3.774 1.00 17.31 C ATOM 595 O GLY A 66 -13.978 52.676 -3.973 1.00 16.97 O ATOM 596 H GLY A 66 -14.469 48.634 -2.941 1.00 0.00 H ATOM 597 N PHE A 67 -15.720 51.473 -3.194 1.00 14.47 N ATOM 598 CA PHE A 67 -16.501 52.628 -2.773 1.00 14.02 C ATOM 599 C PHE A 67 -16.814 52.546 -1.276 1.00 15.57 C ATOM 600 O PHE A 67 -16.163 53.212 -0.467 1.00 13.36 O ATOM 601 CB PHE A 67 -17.783 52.722 -3.610 1.00 14.20 C ATOM 602 CG PHE A 67 -18.717 53.836 -3.198 1.00 16.91 C ATOM 603 CD1 PHE A 67 -18.258 54.952 -2.505 1.00 13.25 C ATOM 604 CD2 PHE A 67 -20.067 53.757 -3.507 1.00 15.79 C ATOM 605 CE1 PHE A 67 -19.127 55.959 -2.127 1.00 15.20 C ATOM 606 CE2 PHE A 67 -20.940 54.761 -3.135 1.00 15.79 C ATOM 607 CZ PHE A 67 -20.468 55.865 -2.445 1.00 15.94 C ATOM 608 H PHE A 67 -16.108 50.521 -3.035 1.00 0.00 H ATOM 609 N MET A 68 -17.811 51.741 -0.913 1.00 15.37 N ATOM 610 CA MET A 68 -18.229 51.643 0.485 1.00 13.58 C ATOM 611 C MET A 68 -19.100 50.423 0.768 1.00 15.61 C ATOM 612 O MET A 68 -19.584 49.761 -0.153 1.00 12.41 O ATOM 613 CB MET A 68 -18.973 52.916 0.906 1.00 12.97 C ATOM 614 CG MET A 68 -20.243 53.183 0.106 1.00 13.26 C ATOM 615 SD MET A 68 -21.697 52.360 0.791 1.00 14.89 S ATOM 616 CE MET A 68 -22.531 51.864 -0.716 1.00 12.79 C ATOM 617 H MET A 68 -18.300 51.174 -1.635 1.00 0.00 H ATOM 618 N CYS A 69 -19.297 50.145 2.054 1.00 11.53 N ATOM 619 CA CYS A 69 -20.216 49.106 2.501 1.00 13.28 C ATOM 620 C CYS A 69 -21.316 49.763 3.328 1.00 17.47 C ATOM 621 O CYS A 69 -21.031 50.462 4.306 1.00 13.37 O ATOM 622 CB CYS A 69 -19.478 48.072 3.351 1.00 14.90 C ATOM 623 SG CYS A 69 -17.923 47.482 2.641 1.00 15.92 S ATOM 624 H CYS A 69 -18.774 50.691 2.769 1.00 0.00 H ATOM 625 N GLN A 70 -22.569 49.547 2.936 1.00 14.93 N ATOM 626 CA GLN A 70 -23.695 50.201 3.597 1.00 14.86 C ATOM 627 C GLN A 70 -24.558 49.227 4.399 1.00 14.98 C ATOM 628 O GLN A 70 -24.857 48.120 3.943 1.00 11.73 O ATOM 629 CB GLN A 70 -24.559 50.934 2.567 1.00 15.57 C ATOM 630 CG GLN A 70 -25.772 51.639 3.155 1.00 14.61 C ATOM 631 CD GLN A 70 -26.605 52.334 2.098 1.00 15.87 C ATOM 632 OE1 GLN A 70 -26.277 52.297 0.913 1.00 15.34 O ATOM 633 NE2 GLN A 70 -27.691 52.971 2.523 1.00 11.67 N ATOM 634 HE22 GLN A 70 -27.929 52.975 3.535 1.00 0.00 H ATOM 635 HE21 GLN A 70 -28.303 53.465 1.843 1.00 0.00 H ATOM 636 H GLN A 70 -22.750 48.899 2.143 1.00 0.00 H ATOM 637 N GLY A 71 -24.951 49.647 5.598 1.00 12.41 N ATOM 638 CA GLY A 71 -25.825 48.853 6.445 1.00 14.93 C ATOM 639 C GLY A 71 -26.637 49.740 7.370 1.00 15.98 C ATOM 640 O GLY A 71 -26.758 50.942 7.129 1.00 12.44 O ATOM 641 H GLY A 71 -24.623 50.573 5.940 1.00 0.00 H ATOM 642 N GLY A 72 -27.210 49.152 8.418 1.00 10.26 N ATOM 643 CA GLY A 72 -27.895 49.930 9.436 1.00 13.15 C ATOM 644 C GLY A 72 -29.408 49.803 9.467 1.00 16.93 C ATOM 645 O GLY A 72 -30.068 50.420 10.309 1.00 13.77 O ATOM 646 H GLY A 72 -27.166 48.117 8.510 1.00 0.00 H ATOM 647 N ASP A 73 -29.962 49.012 8.553 1.00 13.67 N ATOM 648 CA ASP A 73 -31.403 48.785 8.521 1.00 15.08 C ATOM 649 C ASP A 73 -31.771 47.584 9.386 1.00 18.26 C ATOM 650 O ASP A 73 -31.886 46.461 8.890 1.00 18.30 O ATOM 651 CB ASP A 73 -31.882 48.563 7.083 1.00 15.39 C ATOM 652 CG ASP A 73 -33.401 48.511 6.963 1.00 21.32 C ATOM 653 OD1 ASP A 73 -34.104 48.453 7.997 1.00 18.60 O ATOM 654 OD2 ASP A 73 -33.894 48.522 5.815 1.00 19.19 O ATOM 655 H ASP A 73 -29.357 48.546 7.847 1.00 0.00 H ATOM 656 N PHE A 74 -31.962 47.825 10.679 1.00 17.52 N ATOM 657 CA PHE A 74 -32.433 46.776 11.577 1.00 18.42 C ATOM 658 C PHE A 74 -33.960 46.772 11.658 1.00 18.93 C ATOM 659 O PHE A 74 -34.550 45.988 12.404 1.00 22.16 O ATOM 660 CB PHE A 74 -31.812 46.927 12.968 1.00 17.25 C ATOM 661 CG PHE A 74 -32.064 48.261 13.603 1.00 17.18 C ATOM 662 CD1 PHE A 74 -33.272 48.531 14.231 1.00 17.03 C ATOM 663 CD2 PHE A 74 -31.087 49.240 13.585 1.00 17.64 C ATOM 664 CE1 PHE A 74 -33.505 49.759 14.818 1.00 16.87 C ATOM 665 CE2 PHE A 74 -31.309 50.468 14.170 1.00 18.77 C ATOM 666 CZ PHE A 74 -32.520 50.729 14.790 1.00 17.31 C ATOM 667 H PHE A 74 -31.773 48.776 11.056 1.00 0.00 H ATOM 668 N THR A 75 -34.592 47.650 10.883 1.00 20.45 N ATOM 669 CA THR A 75 -36.051 47.780 10.881 1.00 23.02 C ATOM 670 C THR A 75 -36.727 46.915 9.811 1.00 24.30 C ATOM 671 O THR A 75 -37.535 46.042 10.131 1.00 22.23 O ATOM 672 CB THR A 75 -36.482 49.257 10.727 1.00 22.87 C ATOM 673 OG1 THR A 75 -36.418 49.907 12.004 1.00 33.25 O ATOM 674 CG2 THR A 75 -37.903 49.366 10.197 1.00 27.71 C ATOM 675 HG1 THR A 75 -36.694 50.853 11.906 1.00 0.00 H ATOM 676 H THR A 75 -34.032 48.264 10.258 1.00 0.00 H ATOM 677 N ALA A 76 -36.396 47.159 8.547 1.00 27.68 N ATOM 678 CA ALA A 76 -37.011 46.427 7.447 1.00 25.86 C ATOM 679 C ALA A 76 -36.039 45.397 6.888 1.00 21.45 C ATOM 680 O ALA A 76 -36.442 44.468 6.184 1.00 24.52 O ATOM 681 CB ALA A 76 -37.463 47.387 6.360 1.00 22.23 C ATOM 682 H ALA A 76 -35.683 47.887 8.339 1.00 0.00 H ATOM 683 N GLY A 77 -34.758 45.572 7.202 1.00 18.85 N ATOM 684 CA GLY A 77 -33.723 44.659 6.749 1.00 19.27 C ATOM 685 C GLY A 77 -33.587 44.619 5.238 1.00 21.19 C ATOM 686 O GLY A 77 -33.182 43.600 4.671 1.00 22.49 O ATOM 687 H GLY A 77 -34.490 46.387 7.790 1.00 0.00 H ATOM 688 N ASN A 78 -33.922 45.727 4.581 1.00 18.49 N ATOM 689 CA ASN A 78 -33.892 45.775 3.121 1.00 21.59 C ATOM 690 C ASN A 78 -33.393 47.093 2.527 1.00 21.89 C ATOM 691 O ASN A 78 -33.394 47.265 1.307 1.00 19.19 O ATOM 692 CB ASN A 78 -35.267 45.423 2.541 1.00 18.36 C ATOM 693 CG ASN A 78 -36.372 46.357 3.021 1.00 23.55 C ATOM 694 OD1 ASN A 78 -36.114 47.476 3.471 1.00 19.69 O ATOM 695 ND2 ASN A 78 -37.615 45.898 2.918 1.00 16.65 N ATOM 696 HD22 ASN A 78 -37.788 44.948 2.533 1.00 0.00 H ATOM 697 HD21 ASN A 78 -38.415 46.489 3.223 1.00 0.00 H ATOM 698 H ASN A 78 -34.210 46.572 5.115 1.00 0.00 H ATOM 699 N GLY A 79 -32.985 48.023 3.387 1.00 16.47 N ATOM 700 CA GLY A 79 -32.428 49.284 2.929 1.00 18.76 C ATOM 701 C GLY A 79 -33.403 50.447 2.948 1.00 20.14 C ATOM 702 O GLY A 79 -33.024 51.583 2.662 1.00 19.76 O ATOM 703 H GLY A 79 -33.067 47.843 4.408 1.00 0.00 H ATOM 704 N THR A 80 -34.658 50.169 3.290 1.00 16.32 N ATOM 705 CA THR A 80 -35.686 51.204 3.324 1.00 17.05 C ATOM 706 C THR A 80 -35.944 51.684 4.746 1.00 22.11 C ATOM 707 O THR A 80 -36.536 52.745 4.955 1.00 22.37 O ATOM 708 CB THR A 80 -37.015 50.696 2.737 1.00 19.93 C ATOM 709 OG1 THR A 80 -37.588 49.719 3.616 1.00 18.85 O ATOM 710 CG2 THR A 80 -36.790 50.078 1.371 1.00 17.65 C ATOM 711 HG1 THR A 80 -36.961 48.959 3.717 1.00 0.00 H ATOM 712 H THR A 80 -34.912 49.192 3.539 1.00 0.00 H ATOM 713 N GLY A 81 -35.498 50.898 5.720 1.00 21.25 N ATOM 714 CA GLY A 81 -35.809 51.172 7.110 1.00 23.44 C ATOM 715 C GLY A 81 -34.671 51.770 7.909 1.00 25.35 C ATOM 716 O GLY A 81 -33.761 52.394 7.360 1.00 21.87 O ATOM 717 H GLY A 81 -34.915 50.071 5.481 1.00 0.00 H ATOM 718 N GLY A 82 -34.729 51.571 9.221 1.00 23.36 N ATOM 719 CA GLY A 82 -33.764 52.159 10.127 1.00 24.98 C ATOM 720 C GLY A 82 -34.462 53.141 11.042 1.00 25.63 C ATOM 721 O GLY A 82 -35.477 53.732 10.669 1.00 21.24 O ATOM 722 H GLY A 82 -35.489 50.976 9.609 1.00 0.00 H ATOM 723 N GLU A 83 -33.923 53.325 12.240 1.00 21.20 N ATOM 724 CA GLU A 83 -34.570 54.181 13.220 1.00 26.82 C ATOM 725 C GLU A 83 -33.541 54.741 14.190 1.00 20.09 C ATOM 726 O GLU A 83 -32.718 53.999 14.728 1.00 19.16 O ATOM 727 CB GLU A 83 -35.635 53.385 13.975 1.00 25.37 C ATOM 728 CG GLU A 83 -36.546 54.215 14.859 1.00 29.69 C ATOM 729 CD GLU A 83 -37.530 53.359 15.632 1.00 31.17 C ATOM 730 OE1 GLU A 83 -37.528 52.122 15.444 1.00 33.22 O ATOM 731 OE2 GLU A 83 -38.304 53.921 16.432 1.00 29.45 O ATOM 732 H GLU A 83 -33.029 52.852 12.480 1.00 0.00 H ATOM 733 N SER A 84 -33.581 56.051 14.409 1.00 20.19 N ATOM 734 CA SER A 84 -32.658 56.676 15.347 1.00 19.25 C ATOM 735 C SER A 84 -33.180 56.506 16.768 1.00 23.72 C ATOM 736 O SER A 84 -34.259 55.948 16.978 1.00 23.57 O ATOM 737 CB SER A 84 -32.473 58.159 15.027 1.00 18.25 C ATOM 738 OG SER A 84 -33.336 58.961 15.812 1.00 19.64 O ATOM 739 HG SER A 84 -33.196 59.914 15.585 1.00 0.00 H ATOM 740 H SER A 84 -34.278 56.636 13.906 1.00 0.00 H ATOM 741 N ILE A 85 -32.410 56.976 17.743 1.00 22.63 N ATOM 742 CA ILE A 85 -32.809 56.872 19.142 1.00 25.07 C ATOM 743 C ILE A 85 -33.629 58.082 19.588 1.00 22.62 C ATOM 744 O ILE A 85 -34.148 58.111 20.706 1.00 20.63 O ATOM 745 CB ILE A 85 -31.588 56.742 20.070 1.00 22.96 C ATOM 746 CG1 ILE A 85 -30.709 57.993 19.981 1.00 20.75 C ATOM 747 CG2 ILE A 85 -30.798 55.479 19.746 1.00 18.42 C ATOM 748 CD1 ILE A 85 -29.604 58.035 21.017 1.00 20.65 C ATOM 749 H ILE A 85 -31.504 57.427 17.504 1.00 0.00 H ATOM 750 N TYR A 86 -33.747 59.075 18.712 1.00 23.00 N ATOM 751 CA TYR A 86 -34.377 60.340 19.080 1.00 25.59 C ATOM 752 C TYR A 86 -35.871 60.397 18.759 1.00 27.57 C ATOM 753 O TYR A 86 -36.516 61.423 18.972 1.00 27.41 O ATOM 754 CB TYR A 86 -33.633 61.512 18.436 1.00 23.55 C ATOM 755 CG TYR A 86 -32.160 61.531 18.775 1.00 23.10 C ATOM 756 CD1 TYR A 86 -31.734 61.694 20.087 1.00 23.36 C ATOM 757 CD2 TYR A 86 -31.197 61.382 17.786 1.00 20.23 C ATOM 758 CE1 TYR A 86 -30.392 61.708 20.405 1.00 25.46 C ATOM 759 CE2 TYR A 86 -29.850 61.394 18.095 1.00 22.47 C ATOM 760 CZ TYR A 86 -29.455 61.558 19.406 1.00 23.79 C ATOM 761 OH TYR A 86 -28.118 61.574 19.725 1.00 19.40 O ATOM 762 HH TYR A 86 -27.675 62.319 19.246 1.00 0.00 H ATOM 763 H TYR A 86 -33.384 58.948 17.746 1.00 0.00 H ATOM 764 N GLY A 87 -36.417 59.293 18.257 1.00 30.08 N ATOM 765 CA GLY A 87 -37.845 59.201 18.000 1.00 29.64 C ATOM 766 C GLY A 87 -38.251 59.652 16.610 1.00 28.61 C ATOM 767 O GLY A 87 -39.423 59.563 16.237 1.00 35.80 O ATOM 768 H GLY A 87 -35.809 58.477 18.043 1.00 0.00 H ATOM 769 N SER A 88 -37.280 60.146 15.848 1.00 25.78 N ATOM 770 CA SER A 88 -37.508 60.554 14.466 1.00 28.58 C ATOM 771 C SER A 88 -36.170 60.725 13.764 1.00 28.01 C ATOM 772 O SER A 88 -35.115 60.518 14.369 1.00 28.32 O ATOM 773 CB SER A 88 -38.300 61.862 14.407 1.00 22.12 C ATOM 774 OG SER A 88 -37.531 62.951 14.885 1.00 28.40 O ATOM 775 HG SER A 88 -36.718 63.049 14.328 1.00 0.00 H ATOM 776 H SER A 88 -36.326 60.245 16.250 1.00 0.00 H ATOM 777 N LYS A 89 -36.209 61.090 12.486 1.00 25.50 N ATOM 778 CA LYS A 89 -34.985 61.417 11.764 1.00 24.28 C ATOM 779 C LYS A 89 -34.393 62.665 12.398 1.00 21.84 C ATOM 780 O LYS A 89 -35.134 63.525 12.876 1.00 23.63 O ATOM 781 CB LYS A 89 -35.272 61.664 10.281 1.00 26.85 C ATOM 782 CG LYS A 89 -36.063 60.553 9.605 1.00 29.55 C ATOM 783 CD LYS A 89 -35.425 59.198 9.847 1.00 28.93 C ATOM 784 CE LYS A 89 -36.392 58.076 9.511 1.00 41.05 C ATOM 785 NZ LYS A 89 -35.909 56.763 10.025 1.00 36.03 N ATOM 786 HZ1 LYS A 89 -34.987 56.542 9.597 1.00 0.00 H ATOM 787 HZ2 LYS A 89 -35.809 56.812 11.059 1.00 0.00 H ATOM 788 HZ3 LYS A 89 -36.595 56.021 9.777 1.00 0.00 H ATOM 789 H LYS A 89 -37.124 61.143 11.995 1.00 0.00 H ATOM 790 N PHE A 90 -33.067 62.761 12.431 1.00 19.15 N ATOM 791 CA PHE A 90 -32.438 63.921 13.055 1.00 22.31 C ATOM 792 C PHE A 90 -31.561 64.728 12.103 1.00 22.60 C ATOM 793 O PHE A 90 -31.107 64.232 11.070 1.00 19.25 O ATOM 794 CB PHE A 90 -31.697 63.551 14.351 1.00 20.18 C ATOM 795 CG PHE A 90 -30.590 62.547 14.174 1.00 20.47 C ATOM 796 CD1 PHE A 90 -30.869 61.191 14.076 1.00 19.98 C ATOM 797 CD2 PHE A 90 -29.265 62.958 14.149 1.00 20.45 C ATOM 798 CE1 PHE A 90 -29.849 60.266 13.929 1.00 18.59 C ATOM 799 CE2 PHE A 90 -28.240 62.040 14.006 1.00 21.06 C ATOM 800 CZ PHE A 90 -28.532 60.692 13.896 1.00 20.45 C ATOM 801 H PHE A 90 -32.480 62.011 12.013 1.00 0.00 H ATOM 802 N ALA A 91 -31.348 65.989 12.461 1.00 19.50 N ATOM 803 CA ALA A 91 -30.651 66.935 11.602 1.00 19.22 C ATOM 804 C ALA A 91 -29.198 66.549 11.351 1.00 18.33 C ATOM 805 O ALA A 91 -28.595 65.799 12.124 1.00 17.59 O ATOM 806 CB ALA A 91 -30.725 68.333 12.200 1.00 20.91 C ATOM 807 H ALA A 91 -31.691 66.312 13.388 1.00 0.00 H ATOM 808 N ASP A 92 -28.646 67.060 10.257 1.00 15.18 N ATOM 809 CA ASP A 92 -27.217 66.966 10.025 1.00 15.58 C ATOM 810 C ASP A 92 -26.536 67.853 11.059 1.00 20.90 C ATOM 811 O ASP A 92 -26.629 69.079 10.996 1.00 20.26 O ATOM 812 CB ASP A 92 -26.878 67.412 8.601 1.00 16.79 C ATOM 813 CG ASP A 92 -27.527 66.535 7.546 1.00 22.11 C ATOM 814 OD1 ASP A 92 -27.604 65.306 7.763 1.00 16.41 O ATOM 815 OD2 ASP A 92 -27.971 67.075 6.508 1.00 20.06 O ATOM 816 H ASP A 92 -29.248 67.536 9.555 1.00 0.00 H ATOM 817 N GLU A 93 -25.877 67.222 12.025 1.00 17.94 N ATOM 818 CA GLU A 93 -25.302 67.933 13.161 1.00 17.94 C ATOM 819 C GLU A 93 -24.262 68.958 12.713 1.00 20.71 C ATOM 820 O GLU A 93 -24.316 70.129 13.102 1.00 18.73 O ATOM 821 CB GLU A 93 -24.679 66.930 14.127 1.00 15.53 C ATOM 822 CG GLU A 93 -24.293 67.506 15.468 1.00 20.27 C ATOM 823 CD GLU A 93 -23.922 66.428 16.456 1.00 25.57 C ATOM 824 OE1 GLU A 93 -23.794 65.259 16.030 1.00 22.27 O ATOM 825 OE2 GLU A 93 -23.767 66.746 17.653 1.00 26.69 O ATOM 826 H GLU A 93 -25.768 66.189 11.969 1.00 0.00 H ATOM 827 N ASN A 94 -23.320 68.498 11.895 1.00 15.90 N ATOM 828 CA ASN A 94 -22.328 69.360 11.259 1.00 17.11 C ATOM 829 C ASN A 94 -21.585 68.589 10.175 1.00 18.70 C ATOM 830 O ASN A 94 -21.736 67.372 10.056 1.00 16.34 O ATOM 831 CB ASN A 94 -21.338 69.940 12.283 1.00 18.96 C ATOM 832 CG ASN A 94 -20.476 68.874 12.943 1.00 19.66 C ATOM 833 OD1 ASN A 94 -19.596 68.285 12.309 1.00 17.29 O ATOM 834 ND2 ASN A 94 -20.711 68.638 14.229 1.00 18.39 N ATOM 835 HD22 ASN A 94 -21.463 69.158 14.724 1.00 0.00 H ATOM 836 HD21 ASN A 94 -20.143 67.933 14.741 1.00 0.00 H ATOM 837 H ASN A 94 -23.288 67.477 11.699 1.00 0.00 H ATOM 838 N PHE A 95 -20.780 69.295 9.388 1.00 16.43 N ATOM 839 CA PHE A 95 -19.980 68.649 8.355 1.00 17.03 C ATOM 840 C PHE A 95 -18.496 68.970 8.526 1.00 21.06 C ATOM 841 O PHE A 95 -17.763 69.104 7.545 1.00 23.19 O ATOM 842 CB PHE A 95 -20.460 69.058 6.960 1.00 19.44 C ATOM 843 CG PHE A 95 -21.861 68.612 6.647 1.00 21.51 C ATOM 844 CD1 PHE A 95 -22.132 67.279 6.372 1.00 19.16 C ATOM 845 CD2 PHE A 95 -22.906 69.524 6.618 1.00 19.54 C ATOM 846 CE1 PHE A 95 -23.420 66.859 6.082 1.00 19.72 C ATOM 847 CE2 PHE A 95 -24.196 69.112 6.326 1.00 17.13 C ATOM 848 CZ PHE A 95 -24.453 67.777 6.058 1.00 19.01 C ATOM 849 H PHE A 95 -20.720 70.326 9.511 1.00 0.00 H ATOM 850 N VAL A 96 -18.062 69.090 9.779 1.00 18.36 N ATOM 851 CA VAL A 96 -16.663 69.376 10.102 1.00 19.77 C ATOM 852 C VAL A 96 -15.722 68.302 9.557 1.00 19.31 C ATOM 853 O VAL A 96 -14.716 68.608 8.911 1.00 21.48 O ATOM 854 CB VAL A 96 -16.450 69.489 11.625 1.00 15.30 C ATOM 855 CG1 VAL A 96 -14.973 69.654 11.949 1.00 15.23 C ATOM 856 CG2 VAL A 96 -17.251 70.649 12.192 1.00 16.76 C ATOM 857 H VAL A 96 -18.742 68.976 10.557 1.00 0.00 H ATOM 858 N LYS A 97 -16.056 67.044 9.829 1.00 16.98 N ATOM 859 CA LYS A 97 -15.253 65.914 9.371 1.00 16.67 C ATOM 860 C LYS A 97 -15.552 65.562 7.917 1.00 19.05 C ATOM 861 O LYS A 97 -16.713 65.537 7.495 1.00 16.27 O ATOM 862 CB LYS A 97 -15.488 64.695 10.265 1.00 19.80 C ATOM 863 CG LYS A 97 -14.876 64.811 11.656 1.00 17.80 C ATOM 864 CD LYS A 97 -13.383 64.507 11.632 1.00 25.65 C ATOM 865 CE LYS A 97 -12.757 64.721 13.006 1.00 27.01 C ATOM 866 NZ LYS A 97 -11.354 64.224 13.055 1.00 30.27 N ATOM 867 HZ1 LYS A 97 -11.341 63.206 12.843 1.00 0.00 H ATOM 868 HZ2 LYS A 97 -10.782 64.733 12.351 1.00 0.00 H ATOM 869 HZ3 LYS A 97 -10.963 64.387 14.005 1.00 0.00 H ATOM 870 H LYS A 97 -16.915 66.859 10.385 1.00 0.00 H ATOM 871 N LYS A 98 -14.498 65.286 7.155 1.00 17.25 N ATOM 872 CA LYS A 98 -14.636 64.995 5.729 1.00 18.50 C ATOM 873 C LYS A 98 -14.331 63.534 5.412 1.00 21.14 C ATOM 874 O LYS A 98 -13.721 62.830 6.216 1.00 16.73 O ATOM 875 CB LYS A 98 -13.724 65.910 4.907 1.00 20.78 C ATOM 876 CG LYS A 98 -14.362 67.228 4.480 1.00 21.26 C ATOM 877 CD LYS A 98 -14.748 68.103 5.661 1.00 24.78 C ATOM 878 CE LYS A 98 -15.575 69.297 5.204 1.00 30.73 C ATOM 879 NZ LYS A 98 -15.869 70.221 6.334 1.00 24.24 N ATOM 880 HZ1 LYS A 98 -16.402 69.711 7.067 1.00 0.00 H ATOM 881 HZ2 LYS A 98 -14.976 70.572 6.734 1.00 0.00 H ATOM 882 HZ3 LYS A 98 -16.434 71.023 5.987 1.00 0.00 H ATOM 883 H LYS A 98 -13.551 65.277 7.585 1.00 0.00 H ATOM 884 N HIS A 99 -14.761 63.086 4.236 1.00 16.90 N ATOM 885 CA HIS A 99 -14.531 61.712 3.809 1.00 18.73 C ATOM 886 C HIS A 99 -13.112 61.557 3.275 1.00 19.89 C ATOM 887 O HIS A 99 -12.866 61.689 2.075 1.00 19.86 O ATOM 888 CB HIS A 99 -15.555 61.319 2.747 1.00 18.06 C ATOM 889 CG HIS A 99 -16.971 61.421 3.212 1.00 13.80 C ATOM 890 ND1 HIS A 99 -17.674 62.612 3.214 1.00 16.32 N ATOM 891 CD2 HIS A 99 -17.821 60.488 3.704 1.00 18.76 C ATOM 892 CE1 HIS A 99 -18.889 62.401 3.680 1.00 18.16 C ATOM 893 NE2 HIS A 99 -19.007 61.122 3.985 1.00 15.82 N ATOM 894 H HIS A 99 -15.275 63.733 3.605 1.00 0.00 H ATOM 895 N THR A 100 -12.185 61.260 4.180 1.00 21.13 N ATOM 896 CA THR A 100 -10.759 61.362 3.886 1.00 20.29 C ATOM 897 C THR A 100 -10.053 60.055 3.524 1.00 26.67 C ATOM 898 O THR A 100 -8.848 60.059 3.261 1.00 27.58 O ATOM 899 CB THR A 100 -10.010 62.017 5.059 1.00 19.49 C ATOM 900 OG1 THR A 100 -10.343 61.338 6.275 1.00 23.59 O ATOM 901 CG2 THR A 100 -10.391 63.480 5.185 1.00 17.77 C ATOM 902 HG1 THR A 100 -10.079 60.387 6.203 1.00 0.00 H ATOM 903 H THR A 100 -12.484 60.946 5.125 1.00 0.00 H ATOM 904 N GLY A 101 -10.783 58.943 3.514 1.00 23.18 N ATOM 905 CA GLY A 101 -10.181 57.674 3.141 1.00 23.69 C ATOM 906 C GLY A 101 -10.882 56.445 3.685 1.00 20.03 C ATOM 907 O GLY A 101 -11.996 56.537 4.207 1.00 17.59 O ATOM 908 H GLY A 101 -11.789 58.982 3.774 1.00 0.00 H ATOM 909 N PRO A 102 -10.225 55.280 3.567 1.00 22.28 N ATOM 910 CA PRO A 102 -10.779 53.990 3.992 1.00 17.06 C ATOM 911 C PRO A 102 -11.079 53.962 5.485 1.00 17.12 C ATOM 912 O PRO A 102 -10.301 54.488 6.287 1.00 19.95 O ATOM 913 CB PRO A 102 -9.651 53.001 3.672 1.00 20.10 C ATOM 914 CG PRO A 102 -8.819 53.687 2.639 1.00 18.48 C ATOM 915 CD PRO A 102 -8.872 55.135 3.004 1.00 20.49 C ATOM 916 N GLY A 103 -12.205 53.358 5.850 1.00 16.93 N ATOM 917 CA GLY A 103 -12.575 53.216 7.245 1.00 15.23 C ATOM 918 C GLY A 103 -13.416 54.362 7.770 1.00 15.92 C ATOM 919 O GLY A 103 -13.923 54.303 8.895 1.00 14.00 O ATOM 920 H GLY A 103 -12.837 52.978 5.117 1.00 0.00 H ATOM 921 N ILE A 104 -13.556 55.410 6.962 1.00 14.03 N ATOM 922 CA ILE A 104 -14.402 56.540 7.330 1.00 14.89 C ATOM 923 C ILE A 104 -15.829 56.057 7.556 1.00 15.49 C ATOM 924 O ILE A 104 -16.390 55.330 6.733 1.00 13.12 O ATOM 925 CB ILE A 104 -14.376 57.658 6.266 1.00 17.50 C ATOM 926 CG1 ILE A 104 -13.123 58.521 6.434 1.00 17.64 C ATOM 927 CG2 ILE A 104 -15.610 58.538 6.378 1.00 16.02 C ATOM 928 CD1 ILE A 104 -13.056 59.251 7.768 1.00 16.16 C ATOM 929 H ILE A 104 -13.053 55.424 6.052 1.00 0.00 H ATOM 930 N LEU A 105 -16.399 56.448 8.689 1.00 14.12 N ATOM 931 CA LEU A 105 -17.733 56.017 9.068 1.00 15.83 C ATOM 932 C LEU A 105 -18.686 57.197 8.955 1.00 14.81 C ATOM 933 O LEU A 105 -18.515 58.212 9.632 1.00 15.76 O ATOM 934 CB LEU A 105 -17.701 55.467 10.491 1.00 14.50 C ATOM 935 CG LEU A 105 -18.984 55.006 11.173 1.00 18.95 C ATOM 936 CD1 LEU A 105 -19.724 53.980 10.331 1.00 15.96 C ATOM 937 CD2 LEU A 105 -18.646 54.431 12.536 1.00 16.32 C ATOM 938 H LEU A 105 -15.874 57.082 9.325 1.00 0.00 H ATOM 939 N SER A 106 -19.688 57.071 8.092 1.00 15.18 N ATOM 940 CA SER A 106 -20.557 58.203 7.794 1.00 11.56 C ATOM 941 C SER A 106 -22.028 57.809 7.692 1.00 14.72 C ATOM 942 O SER A 106 -22.360 56.636 7.496 1.00 13.72 O ATOM 943 CB SER A 106 -20.088 58.894 6.513 1.00 13.12 C ATOM 944 OG SER A 106 -20.935 59.971 6.163 1.00 17.94 O ATOM 945 HG SER A 106 -20.603 60.394 5.332 1.00 0.00 H ATOM 946 H SER A 106 -19.854 56.157 7.625 1.00 0.00 H ATOM 947 N MET A 107 -22.905 58.798 7.837 1.00 12.52 N ATOM 948 CA MET A 107 -24.343 58.553 7.830 1.00 15.61 C ATOM 949 C MET A 107 -24.917 58.512 6.421 1.00 17.35 C ATOM 950 O MET A 107 -24.711 59.425 5.621 1.00 13.11 O ATOM 951 CB MET A 107 -25.081 59.624 8.640 1.00 16.27 C ATOM 952 CG MET A 107 -24.846 59.548 10.140 1.00 13.54 C ATOM 953 SD MET A 107 -25.402 57.989 10.860 1.00 16.42 S ATOM 954 CE MET A 107 -27.182 58.212 10.803 1.00 16.94 C ATOM 955 H MET A 107 -22.557 59.770 7.958 1.00 0.00 H ATOM 956 N ALA A 108 -25.636 57.439 6.121 1.00 11.23 N ATOM 957 CA ALA A 108 -26.458 57.404 4.926 1.00 16.15 C ATOM 958 C ALA A 108 -27.691 58.257 5.210 1.00 15.34 C ATOM 959 O ALA A 108 -28.081 58.416 6.369 1.00 19.20 O ATOM 960 CB ALA A 108 -26.854 55.978 4.603 1.00 12.25 C ATOM 961 H ALA A 108 -25.610 56.612 6.751 1.00 0.00 H ATOM 962 N ASN A 109 -28.299 58.821 4.172 1.00 13.73 N ATOM 963 CA ASN A 109 -29.522 59.600 4.368 1.00 15.81 C ATOM 964 C ASN A 109 -30.426 59.636 3.142 1.00 19.13 C ATOM 965 O ASN A 109 -30.193 58.922 2.167 1.00 20.52 O ATOM 966 CB ASN A 109 -29.211 61.027 4.859 1.00 17.73 C ATOM 967 CG ASN A 109 -28.356 61.822 3.880 1.00 18.41 C ATOM 968 OD1 ASN A 109 -28.776 62.108 2.757 1.00 16.50 O ATOM 969 ND2 ASN A 109 -27.165 62.215 4.319 1.00 16.46 N ATOM 970 HD22 ASN A 109 -26.850 61.951 5.274 1.00 0.00 H ATOM 971 HD21 ASN A 109 -26.548 62.787 3.707 1.00 0.00 H ATOM 972 H ASN A 109 -27.904 58.708 3.216 1.00 0.00 H ATOM 973 N ALA A 110 -31.463 60.465 3.208 1.00 19.82 N ATOM 974 CA ALA A 110 -32.376 60.655 2.089 1.00 22.50 C ATOM 975 C ALA A 110 -32.499 62.145 1.799 1.00 20.41 C ATOM 976 O ALA A 110 -33.597 62.656 1.573 1.00 21.57 O ATOM 977 CB ALA A 110 -33.741 60.063 2.405 1.00 21.63 C ATOM 978 H ALA A 110 -31.628 60.995 4.087 1.00 0.00 H ATOM 979 N GLY A 111 -31.363 62.837 1.803 1.00 20.53 N ATOM 980 CA GLY A 111 -31.349 64.285 1.694 1.00 20.52 C ATOM 981 C GLY A 111 -31.050 64.907 3.045 1.00 23.12 C ATOM 982 O GLY A 111 -30.868 64.188 4.029 1.00 20.39 O ATOM 983 H GLY A 111 -30.460 62.327 1.886 1.00 0.00 H ATOM 984 N PRO A 112 -31.010 66.248 3.103 1.00 25.05 N ATOM 985 CA PRO A 112 -30.686 66.977 4.338 1.00 22.99 C ATOM 986 C PRO A 112 -31.618 66.661 5.513 1.00 22.20 C ATOM 987 O PRO A 112 -32.829 66.509 5.330 1.00 16.83 O ATOM 988 CB PRO A 112 -30.834 68.451 3.927 1.00 20.12 C ATOM 989 CG PRO A 112 -31.672 68.433 2.682 1.00 24.08 C ATOM 990 CD PRO A 112 -31.304 67.162 1.985 1.00 18.72 C ATOM 991 N GLY A 113 -31.041 66.558 6.708 1.00 19.82 N ATOM 992 CA GLY A 113 -31.805 66.377 7.932 1.00 20.19 C ATOM 993 C GLY A 113 -32.656 65.121 8.014 1.00 22.48 C ATOM 994 O GLY A 113 -33.727 65.133 8.626 1.00 25.63 O ATOM 995 H GLY A 113 -30.004 66.609 6.769 1.00 0.00 H ATOM 996 N THR A 114 -32.183 64.036 7.407 1.00 17.83 N ATOM 997 CA THR A 114 -32.918 62.775 7.410 1.00 19.68 C ATOM 998 C THR A 114 -32.080 61.617 7.950 1.00 21.11 C ATOM 999 O THR A 114 -32.169 60.495 7.448 1.00 18.78 O ATOM 1000 CB THR A 114 -33.414 62.402 5.998 1.00 22.05 C ATOM 1001 OG1 THR A 114 -32.304 62.370 5.093 1.00 19.71 O ATOM 1002 CG2 THR A 114 -34.443 63.405 5.498 1.00 20.05 C ATOM 1003 HG1 THR A 114 -31.875 63.262 5.067 1.00 0.00 H ATOM 1004 H THR A 114 -31.267 64.088 6.918 1.00 0.00 H ATOM 1005 N ASN A 115 -31.270 61.892 8.970 1.00 16.47 N ATOM 1006 CA ASN A 115 -30.432 60.860 9.575 1.00 18.51 C ATOM 1007 C ASN A 115 -31.244 59.871 10.407 1.00 18.94 C ATOM 1008 O ASN A 115 -32.018 60.270 11.278 1.00 19.61 O ATOM 1009 CB ASN A 115 -29.335 61.487 10.439 1.00 15.66 C ATOM 1010 CG ASN A 115 -28.404 62.382 9.643 1.00 22.21 C ATOM 1011 OD1 ASN A 115 -27.547 61.900 8.902 1.00 18.24 O ATOM 1012 ND2 ASN A 115 -28.563 63.693 9.799 1.00 18.08 N ATOM 1013 HD22 ASN A 115 -29.301 64.055 10.436 1.00 0.00 H ATOM 1014 HD21 ASN A 115 -27.949 64.356 9.284 1.00 0.00 H ATOM 1015 H ASN A 115 -31.233 62.862 9.344 1.00 0.00 H ATOM 1016 N GLY A 116 -31.066 58.582 10.137 1.00 18.20 N ATOM 1017 CA GLY A 116 -31.761 57.552 10.889 1.00 17.73 C ATOM 1018 C GLY A 116 -30.792 56.628 11.601 1.00 19.11 C ATOM 1019 O GLY A 116 -30.230 56.984 12.639 1.00 18.63 O ATOM 1020 H GLY A 116 -30.417 58.306 9.373 1.00 0.00 H ATOM 1021 N SER A 117 -30.593 55.438 11.045 1.00 16.01 N ATOM 1022 CA SER A 117 -29.640 54.492 11.610 1.00 18.81 C ATOM 1023 C SER A 117 -28.723 53.922 10.535 1.00 14.27 C ATOM 1024 O SER A 117 -27.708 53.294 10.844 1.00 13.12 O ATOM 1025 CB SER A 117 -30.368 53.359 12.329 1.00 18.75 C ATOM 1026 OG SER A 117 -30.968 52.472 11.405 1.00 19.33 O ATOM 1027 HG SER A 117 -30.269 52.081 10.823 1.00 0.00 H ATOM 1028 H SER A 117 -31.127 55.177 10.191 1.00 0.00 H ATOM 1029 N GLN A 118 -29.085 54.143 9.274 1.00 14.38 N ATOM 1030 CA GLN A 118 -28.287 53.644 8.158 1.00 16.27 C ATOM 1031 C GLN A 118 -26.968 54.399 8.029 1.00 15.56 C ATOM 1032 O GLN A 118 -26.926 55.632 8.082 1.00 12.58 O ATOM 1033 CB GLN A 118 -29.078 53.682 6.846 1.00 15.51 C ATOM 1034 CG GLN A 118 -30.087 52.541 6.703 1.00 14.95 C ATOM 1035 CD GLN A 118 -30.624 52.407 5.292 1.00 17.29 C ATOM 1036 OE1 GLN A 118 -29.860 52.361 4.325 1.00 19.16 O ATOM 1037 NE2 GLN A 118 -31.944 52.347 5.164 1.00 12.93 N ATOM 1038 HE22 GLN A 118 -32.551 52.389 6.008 1.00 0.00 H ATOM 1039 HE21 GLN A 118 -32.371 52.258 4.220 1.00 0.00 H ATOM 1040 H GLN A 118 -29.953 54.682 9.080 1.00 0.00 H ATOM 1041 N PHE A 119 -25.892 53.637 7.868 1.00 13.65 N ATOM 1042 CA PHE A 119 -24.546 54.187 7.856 1.00 12.52 C ATOM 1043 C PHE A 119 -23.766 53.570 6.705 1.00 16.53 C ATOM 1044 O PHE A 119 -24.236 52.629 6.060 1.00 14.88 O ATOM 1045 CB PHE A 119 -23.851 53.861 9.181 1.00 13.95 C ATOM 1046 CG PHE A 119 -23.645 52.388 9.406 1.00 17.01 C ATOM 1047 CD1 PHE A 119 -22.466 51.775 9.009 1.00 15.88 C ATOM 1048 CD2 PHE A 119 -24.631 51.615 10.003 1.00 13.08 C ATOM 1049 CE1 PHE A 119 -22.271 50.426 9.203 1.00 13.34 C ATOM 1050 CE2 PHE A 119 -24.441 50.261 10.204 1.00 16.23 C ATOM 1051 CZ PHE A 119 -23.259 49.665 9.802 1.00 17.92 C ATOM 1052 H PHE A 119 -26.017 52.612 7.746 1.00 0.00 H ATOM 1053 N PHE A 120 -22.574 54.095 6.443 1.00 12.74 N ATOM 1054 CA PHE A 120 -21.661 53.431 5.522 1.00 15.75 C ATOM 1055 C PHE A 120 -20.204 53.557 5.954 1.00 14.38 C ATOM 1056 O PHE A 120 -19.815 54.517 6.625 1.00 13.47 O ATOM 1057 CB PHE A 120 -21.865 53.887 4.070 1.00 15.25 C ATOM 1058 CG PHE A 120 -21.584 55.342 3.833 1.00 15.07 C ATOM 1059 CD1 PHE A 120 -22.501 56.311 4.212 1.00 15.19 C ATOM 1060 CD2 PHE A 120 -20.418 55.739 3.196 1.00 14.46 C ATOM 1061 CE1 PHE A 120 -22.255 57.648 3.978 1.00 15.77 C ATOM 1062 CE2 PHE A 120 -20.161 57.075 2.960 1.00 16.42 C ATOM 1063 CZ PHE A 120 -21.082 58.032 3.348 1.00 15.17 C ATOM 1064 H PHE A 120 -22.291 54.986 6.898 1.00 0.00 H ATOM 1065 N VAL A 121 -19.416 52.553 5.587 1.00 11.50 N ATOM 1066 CA VAL A 121 -17.992 52.541 5.869 1.00 15.16 C ATOM 1067 C VAL A 121 -17.261 52.634 4.539 1.00 16.21 C ATOM 1068 O VAL A 121 -17.422 51.766 3.678 1.00 14.03 O ATOM 1069 CB VAL A 121 -17.576 51.245 6.582 1.00 9.58 C ATOM 1070 CG1 VAL A 121 -16.117 51.318 6.993 1.00 15.43 C ATOM 1071 CG2 VAL A 121 -18.455 51.001 7.799 1.00 16.23 C ATOM 1072 H VAL A 121 -19.834 51.747 5.080 1.00 0.00 H ATOM 1073 N CYS A 122 -16.472 53.689 4.361 1.00 14.28 N ATOM 1074 CA CYS A 122 -15.780 53.903 3.094 1.00 14.62 C ATOM 1075 C CYS A 122 -14.633 52.918 2.914 1.00 17.17 C ATOM 1076 O CYS A 122 -13.983 52.522 3.883 1.00 16.93 O ATOM 1077 CB CYS A 122 -15.250 55.333 3.005 1.00 16.36 C ATOM 1078 SG CYS A 122 -16.510 56.599 3.258 1.00 19.46 S ATOM 1079 H CYS A 122 -16.346 54.371 5.136 1.00 0.00 H ATOM 1080 N THR A 123 -14.398 52.512 1.671 1.00 13.68 N ATOM 1081 CA THR A 123 -13.253 51.670 1.349 1.00 15.65 C ATOM 1082 C THR A 123 -12.255 52.458 0.507 1.00 18.25 C ATOM 1083 O THR A 123 -11.330 51.889 -0.077 1.00 16.01 O ATOM 1084 CB THR A 123 -13.677 50.387 0.618 1.00 18.49 C ATOM 1085 OG1 THR A 123 -14.480 50.723 -0.520 1.00 17.42 O ATOM 1086 CG2 THR A 123 -14.480 49.495 1.548 1.00 17.37 C ATOM 1087 HG1 THR A 123 -14.751 49.894 -0.988 1.00 0.00 H ATOM 1088 H THR A 123 -15.046 52.802 0.911 1.00 0.00 H ATOM 1089 N ALA A 124 -12.461 53.773 0.460 1.00 18.88 N ATOM 1090 CA ALA A 124 -11.567 54.703 -0.225 1.00 17.62 C ATOM 1091 C ALA A 124 -11.972 56.131 0.120 1.00 21.45 C ATOM 1092 O ALA A 124 -12.869 56.347 0.940 1.00 19.01 O ATOM 1093 CB ALA A 124 -11.617 54.491 -1.732 1.00 17.16 C ATOM 1094 H ALA A 124 -13.302 54.158 0.936 1.00 0.00 H ATOM 1095 N LYS A 125 -11.321 57.106 -0.509 1.00 19.05 N ATOM 1096 CA LYS A 125 -11.735 58.498 -0.360 1.00 20.48 C ATOM 1097 C LYS A 125 -13.044 58.727 -1.103 1.00 19.11 C ATOM 1098 O LYS A 125 -13.184 58.335 -2.262 1.00 14.51 O ATOM 1099 CB LYS A 125 -10.673 59.456 -0.902 1.00 21.94 C ATOM 1100 CG LYS A 125 -9.608 59.859 0.102 1.00 29.40 C ATOM 1101 CD LYS A 125 -8.715 60.953 -0.474 1.00 35.97 C ATOM 1102 CE LYS A 125 -7.553 61.290 0.457 1.00 39.72 C ATOM 1103 NZ LYS A 125 -6.622 62.285 -0.156 1.00 36.17 N ATOM 1104 HZ1 LYS A 125 -6.232 61.896 -1.038 1.00 0.00 H ATOM 1105 HZ2 LYS A 125 -7.141 63.162 -0.362 1.00 0.00 H ATOM 1106 HZ3 LYS A 125 -5.847 62.487 0.507 1.00 0.00 H ATOM 1107 H LYS A 125 -10.508 56.874 -1.114 1.00 0.00 H ATOM 1108 N THR A 126 -14.007 59.349 -0.432 1.00 16.84 N ATOM 1109 CA THR A 126 -15.277 59.682 -1.068 1.00 16.46 C ATOM 1110 C THR A 126 -15.554 61.173 -0.907 1.00 16.34 C ATOM 1111 O THR A 126 -16.558 61.569 -0.310 1.00 13.50 O ATOM 1112 CB THR A 126 -16.446 58.847 -0.494 1.00 16.46 C ATOM 1113 OG1 THR A 126 -16.611 59.135 0.898 1.00 15.01 O ATOM 1114 CG2 THR A 126 -16.178 57.363 -0.672 1.00 12.15 C ATOM 1115 HG1 THR A 126 -16.809 60.098 1.013 1.00 0.00 H ATOM 1116 H THR A 126 -13.853 59.603 0.565 1.00 0.00 H ATOM 1117 N GLU A 127 -14.649 61.986 -1.448 1.00 19.66 N ATOM 1118 CA GLU A 127 -14.689 63.440 -1.301 1.00 19.54 C ATOM 1119 C GLU A 127 -15.993 64.080 -1.769 1.00 18.10 C ATOM 1120 O GLU A 127 -16.427 65.091 -1.214 1.00 17.39 O ATOM 1121 CB GLU A 127 -13.517 64.074 -2.055 1.00 19.46 C ATOM 1122 CG GLU A 127 -12.150 63.730 -1.486 1.00 38.21 C ATOM 1123 CD GLU A 127 -11.018 64.050 -2.444 1.00 57.95 C ATOM 1124 OE1 GLU A 127 -11.247 64.808 -3.413 1.00 48.25 O ATOM 1125 OE2 GLU A 127 -9.899 63.537 -2.227 1.00 49.66 O ATOM 1126 H GLU A 127 -13.876 61.566 -2.002 1.00 0.00 H ATOM 1127 N TRP A 128 -16.617 63.490 -2.786 1.00 15.12 N ATOM 1128 CA TRP A 128 -17.838 64.049 -3.368 1.00 17.93 C ATOM 1129 C TRP A 128 -19.016 64.027 -2.394 1.00 18.19 C ATOM 1130 O TRP A 128 -20.040 64.676 -2.626 1.00 18.35 O ATOM 1131 CB TRP A 128 -18.202 63.319 -4.668 1.00 18.25 C ATOM 1132 CG TRP A 128 -18.489 61.858 -4.489 1.00 19.40 C ATOM 1133 CD1 TRP A 128 -19.707 61.280 -4.282 1.00 18.21 C ATOM 1134 CD2 TRP A 128 -17.537 60.791 -4.514 1.00 19.22 C ATOM 1135 NE1 TRP A 128 -19.571 59.917 -4.173 1.00 16.00 N ATOM 1136 CE2 TRP A 128 -18.244 59.590 -4.310 1.00 17.85 C ATOM 1137 CE3 TRP A 128 -16.150 60.731 -4.690 1.00 17.93 C ATOM 1138 CZ2 TRP A 128 -17.615 58.345 -4.274 1.00 15.80 C ATOM 1139 CZ3 TRP A 128 -15.525 59.499 -4.653 1.00 19.46 C ATOM 1140 CH2 TRP A 128 -16.257 58.321 -4.447 1.00 19.39 C ATOM 1141 HE1 TRP A 128 -20.347 59.243 -4.013 1.00 0.00 H ATOM 1142 H TRP A 128 -16.227 62.609 -3.177 1.00 0.00 H ATOM 1143 N LEU A 129 -18.859 63.284 -1.302 1.00 17.98 N ATOM 1144 CA LEU A 129 -19.900 63.180 -0.286 1.00 16.60 C ATOM 1145 C LEU A 129 -19.726 64.218 0.822 1.00 19.63 C ATOM 1146 O LEU A 129 -20.553 64.302 1.737 1.00 14.92 O ATOM 1147 CB LEU A 129 -19.919 61.772 0.318 1.00 13.76 C ATOM 1148 CG LEU A 129 -20.220 60.626 -0.647 1.00 16.61 C ATOM 1149 CD1 LEU A 129 -20.317 59.298 0.091 1.00 11.83 C ATOM 1150 CD2 LEU A 129 -21.497 60.910 -1.412 1.00 14.08 C ATOM 1151 H LEU A 129 -17.969 62.763 -1.169 1.00 0.00 H ATOM 1152 N ASP A 130 -18.658 65.008 0.738 1.00 16.57 N ATOM 1153 CA ASP A 130 -18.389 66.030 1.747 1.00 18.39 C ATOM 1154 C ASP A 130 -19.500 67.075 1.794 1.00 17.94 C ATOM 1155 O ASP A 130 -19.910 67.605 0.758 1.00 16.53 O ATOM 1156 CB ASP A 130 -17.044 66.715 1.487 1.00 18.18 C ATOM 1157 CG ASP A 130 -15.860 65.829 1.820 1.00 18.27 C ATOM 1158 OD1 ASP A 130 -16.050 64.808 2.514 1.00 16.40 O ATOM 1159 OD2 ASP A 130 -14.732 66.164 1.401 1.00 22.45 O ATOM 1160 H ASP A 130 -18.002 64.896 -0.061 1.00 0.00 H ATOM 1161 N GLY A 131 -19.987 67.359 2.999 1.00 22.11 N ATOM 1162 CA GLY A 131 -21.008 68.375 3.187 1.00 21.68 C ATOM 1163 C GLY A 131 -22.419 67.854 2.989 1.00 22.79 C ATOM 1164 O GLY A 131 -23.393 68.574 3.217 1.00 23.24 O ATOM 1165 H GLY A 131 -19.628 66.841 3.826 1.00 0.00 H ATOM 1166 N LYS A 132 -22.533 66.600 2.564 1.00 18.27 N ATOM 1167 CA LYS A 132 -23.837 65.988 2.335 1.00 18.13 C ATOM 1168 C LYS A 132 -24.108 64.859 3.321 1.00 20.20 C ATOM 1169 O LYS A 132 -25.262 64.569 3.643 1.00 17.10 O ATOM 1170 CB LYS A 132 -23.940 65.478 0.897 1.00 20.10 C ATOM 1171 CG LYS A 132 -24.112 66.587 -0.121 1.00 23.61 C ATOM 1172 CD LYS A 132 -23.696 66.147 -1.509 1.00 25.94 C ATOM 1173 CE LYS A 132 -24.172 67.146 -2.548 1.00 35.76 C ATOM 1174 NZ LYS A 132 -23.815 68.543 -2.173 1.00 37.24 N ATOM 1175 HZ1 LYS A 132 -24.258 68.780 -1.263 1.00 0.00 H ATOM 1176 HZ2 LYS A 132 -22.782 68.625 -2.089 1.00 0.00 H ATOM 1177 HZ3 LYS A 132 -24.157 69.196 -2.907 1.00 0.00 H ATOM 1178 H LYS A 132 -21.673 66.042 2.391 1.00 0.00 H ATOM 1179 N HIS A 133 -23.043 64.228 3.802 1.00 17.33 N ATOM 1180 CA HIS A 133 -23.187 63.132 4.752 1.00 16.74 C ATOM 1181 C HIS A 133 -22.315 63.332 5.982 1.00 17.19 C ATOM 1182 O HIS A 133 -21.114 63.588 5.872 1.00 16.06 O ATOM 1183 CB HIS A 133 -22.890 61.796 4.072 1.00 17.38 C ATOM 1184 CG HIS A 133 -23.834 61.483 2.955 1.00 16.68 C ATOM 1185 ND1 HIS A 133 -24.931 60.667 3.117 1.00 18.12 N ATOM 1186 CD2 HIS A 133 -23.866 61.912 1.671 1.00 14.29 C ATOM 1187 CE1 HIS A 133 -25.592 60.594 1.974 1.00 19.82 C ATOM 1188 NE2 HIS A 133 -24.967 61.338 1.082 1.00 15.19 N ATOM 1189 H HIS A 133 -22.093 64.520 3.496 1.00 0.00 H ATOM 1190 N VAL A 134 -22.936 63.219 7.152 1.00 18.96 N ATOM 1191 CA VAL A 134 -22.251 63.471 8.412 1.00 17.64 C ATOM 1192 C VAL A 134 -21.257 62.365 8.754 1.00 15.59 C ATOM 1193 O VAL A 134 -21.647 61.254 9.124 1.00 16.75 O ATOM 1194 CB VAL A 134 -23.255 63.637 9.566 1.00 15.73 C ATOM 1195 CG1 VAL A 134 -22.527 63.885 10.878 1.00 13.12 C ATOM 1196 CG2 VAL A 134 -24.219 64.779 9.266 1.00 13.90 C ATOM 1197 H VAL A 134 -23.939 62.943 7.168 1.00 0.00 H ATOM 1198 N VAL A 135 -19.970 62.676 8.618 1.00 13.21 N ATOM 1199 CA VAL A 135 -18.910 61.778 9.063 1.00 15.77 C ATOM 1200 C VAL A 135 -18.838 61.844 10.583 1.00 16.39 C ATOM 1201 O VAL A 135 -18.790 62.933 11.161 1.00 14.85 O ATOM 1202 CB VAL A 135 -17.547 62.173 8.474 1.00 16.13 C ATOM 1203 CG1 VAL A 135 -16.448 61.268 9.016 1.00 16.77 C ATOM 1204 CG2 VAL A 135 -17.588 62.110 6.958 1.00 14.77 C ATOM 1205 H VAL A 135 -19.713 63.585 8.182 1.00 0.00 H ATOM 1206 N PHE A 136 -18.834 60.684 11.232 1.00 14.95 N ATOM 1207 CA PHE A 136 -18.915 60.648 12.686 1.00 14.35 C ATOM 1208 C PHE A 136 -18.037 59.573 13.314 1.00 18.22 C ATOM 1209 O PHE A 136 -18.117 59.330 14.522 1.00 14.62 O ATOM 1210 CB PHE A 136 -20.363 60.432 13.122 1.00 14.76 C ATOM 1211 CG PHE A 136 -20.919 59.095 12.728 1.00 16.31 C ATOM 1212 CD1 PHE A 136 -21.480 58.905 11.475 1.00 13.83 C ATOM 1213 CD2 PHE A 136 -20.886 58.028 13.611 1.00 15.90 C ATOM 1214 CE1 PHE A 136 -21.990 57.674 11.109 1.00 14.99 C ATOM 1215 CE2 PHE A 136 -21.398 56.797 13.249 1.00 16.66 C ATOM 1216 CZ PHE A 136 -21.953 56.621 11.998 1.00 19.97 C ATOM 1217 H PHE A 136 -18.772 59.794 10.697 1.00 0.00 H ATOM 1218 N GLY A 137 -17.207 58.922 12.507 1.00 17.12 N ATOM 1219 CA GLY A 137 -16.381 57.851 13.027 1.00 16.86 C ATOM 1220 C GLY A 137 -15.305 57.362 12.084 1.00 16.73 C ATOM 1221 O GLY A 137 -15.230 57.779 10.924 1.00 13.74 O ATOM 1222 H GLY A 137 -17.150 59.181 11.501 1.00 0.00 H ATOM 1223 N GLN A 138 -14.472 56.463 12.598 1.00 16.24 N ATOM 1224 CA GLN A 138 -13.394 55.871 11.825 1.00 17.21 C ATOM 1225 C GLN A 138 -13.106 54.452 12.313 1.00 14.53 C ATOM 1226 O GLN A 138 -12.981 54.211 13.517 1.00 14.38 O ATOM 1227 CB GLN A 138 -12.136 56.734 11.936 1.00 13.26 C ATOM 1228 CG GLN A 138 -10.872 56.072 11.408 1.00 12.95 C ATOM 1229 CD GLN A 138 -10.849 55.971 9.897 1.00 18.91 C ATOM 1230 OE1 GLN A 138 -11.140 56.940 9.193 1.00 16.84 O ATOM 1231 NE2 GLN A 138 -10.501 54.794 9.388 1.00 12.71 N ATOM 1232 HE22 GLN A 138 -10.263 54.004 10.021 1.00 0.00 H ATOM 1233 HE21 GLN A 138 -10.466 54.663 8.357 1.00 0.00 H ATOM 1234 H GLN A 138 -14.596 56.173 13.589 1.00 0.00 H ATOM 1235 N VAL A 139 -13.015 53.510 11.380 1.00 13.17 N ATOM 1236 CA VAL A 139 -12.608 52.154 11.721 1.00 14.32 C ATOM 1237 C VAL A 139 -11.152 52.189 12.170 1.00 14.49 C ATOM 1238 O VAL A 139 -10.283 52.640 11.422 1.00 14.81 O ATOM 1239 CB VAL A 139 -12.741 51.209 10.516 1.00 14.36 C ATOM 1240 CG1 VAL A 139 -12.103 49.865 10.827 1.00 15.12 C ATOM 1241 CG2 VAL A 139 -14.205 51.036 10.134 1.00 14.32 C ATOM 1242 H VAL A 139 -13.238 53.745 10.392 1.00 0.00 H ATOM 1243 N VAL A 140 -10.881 51.729 13.389 1.00 16.54 N ATOM 1244 CA VAL A 140 -9.519 51.780 13.920 1.00 19.00 C ATOM 1245 C VAL A 140 -8.881 50.398 14.091 1.00 19.94 C ATOM 1246 O VAL A 140 -7.661 50.285 14.217 1.00 18.39 O ATOM 1247 CB VAL A 140 -9.442 52.584 15.236 1.00 22.51 C ATOM 1248 CG1 VAL A 140 -9.798 54.038 14.981 1.00 19.90 C ATOM 1249 CG2 VAL A 140 -10.362 51.980 16.292 1.00 20.09 C ATOM 1250 H VAL A 140 -11.645 51.329 13.970 1.00 0.00 H ATOM 1251 N GLU A 141 -9.708 49.355 14.106 1.00 17.17 N ATOM 1252 CA GLU A 141 -9.211 47.980 14.067 1.00 19.09 C ATOM 1253 C GLU A 141 -10.099 47.146 13.153 1.00 19.31 C ATOM 1254 O GLU A 141 -11.292 47.429 13.017 1.00 17.18 O ATOM 1255 CB GLU A 141 -9.186 47.348 15.466 1.00 16.76 C ATOM 1256 CG GLU A 141 -8.444 48.140 16.542 1.00 15.14 C ATOM 1257 CD GLU A 141 -6.937 48.160 16.345 1.00 24.40 C ATOM 1258 OE1 GLU A 141 -6.427 47.419 15.477 1.00 19.38 O ATOM 1259 OE2 GLU A 141 -6.259 48.921 17.068 1.00 24.24 O ATOM 1260 H GLU A 141 -10.734 49.522 14.146 1.00 0.00 H ATOM 1261 N GLY A 142 -9.519 46.127 12.526 1.00 16.49 N ATOM 1262 CA GLY A 142 -10.295 45.186 11.738 1.00 16.68 C ATOM 1263 C GLY A 142 -10.790 45.716 10.405 1.00 16.78 C ATOM 1264 O GLY A 142 -11.853 45.312 9.928 1.00 15.54 O ATOM 1265 H GLY A 142 -8.489 46.001 12.601 1.00 0.00 H ATOM 1266 N MET A 143 -10.023 46.616 9.796 1.00 14.20 N ATOM 1267 CA MET A 143 -10.369 47.121 8.471 1.00 18.51 C ATOM 1268 C MET A 143 -10.287 45.992 7.445 1.00 17.16 C ATOM 1269 O MET A 143 -10.960 46.026 6.413 1.00 15.87 O ATOM 1270 CB MET A 143 -9.453 48.281 8.070 1.00 15.45 C ATOM 1271 CG MET A 143 -9.864 48.986 6.779 1.00 18.14 C ATOM 1272 SD MET A 143 -11.479 49.790 6.896 1.00 18.28 S ATOM 1273 CE MET A 143 -11.808 50.163 5.168 1.00 15.46 C ATOM 1274 H MET A 143 -9.165 46.964 10.270 1.00 0.00 H ATOM 1275 N ASP A 144 -9.463 44.990 7.743 1.00 12.72 N ATOM 1276 CA ASP A 144 -9.332 43.820 6.878 1.00 18.90 C ATOM 1277 C ASP A 144 -10.649 43.048 6.817 1.00 15.22 C ATOM 1278 O ASP A 144 -10.934 42.360 5.834 1.00 17.58 O ATOM 1279 CB ASP A 144 -8.213 42.907 7.383 1.00 18.68 C ATOM 1280 CG ASP A 144 -8.460 42.410 8.793 1.00 22.09 C ATOM 1281 OD1 ASP A 144 -8.913 43.212 9.635 1.00 25.00 O ATOM 1282 OD2 ASP A 144 -8.204 41.217 9.060 1.00 30.35 O ATOM 1283 H ASP A 144 -8.898 45.041 8.614 1.00 0.00 H ATOM 1284 N VAL A 145 -11.451 43.166 7.872 1.00 13.05 N ATOM 1285 CA VAL A 145 -12.771 42.544 7.894 1.00 15.65 C ATOM 1286 C VAL A 145 -13.693 43.268 6.914 1.00 16.61 C ATOM 1287 O VAL A 145 -14.505 42.640 6.232 1.00 12.37 O ATOM 1288 CB VAL A 145 -13.383 42.555 9.307 1.00 17.67 C ATOM 1289 CG1 VAL A 145 -14.762 41.899 9.304 1.00 13.48 C ATOM 1290 CG2 VAL A 145 -12.457 41.853 10.291 1.00 15.52 C ATOM 1291 H VAL A 145 -11.131 43.712 8.697 1.00 0.00 H ATOM 1292 N VAL A 146 -13.551 44.589 6.844 1.00 14.82 N ATOM 1293 CA VAL A 146 -14.302 45.406 5.894 1.00 14.73 C ATOM 1294 C VAL A 146 -13.928 45.027 4.464 1.00 16.71 C ATOM 1295 O VAL A 146 -14.773 45.032 3.566 1.00 17.39 O ATOM 1296 CB VAL A 146 -14.052 46.913 6.132 1.00 14.74 C ATOM 1297 CG1 VAL A 146 -14.647 47.762 5.012 1.00 17.47 C ATOM 1298 CG2 VAL A 146 -14.618 47.339 7.473 1.00 12.16 C ATOM 1299 H VAL A 146 -12.882 45.056 7.488 1.00 0.00 H ATOM 1300 N LYS A 147 -12.656 44.685 4.265 1.00 15.72 N ATOM 1301 CA LYS A 147 -12.167 44.243 2.961 1.00 17.57 C ATOM 1302 C LYS A 147 -12.833 42.934 2.549 1.00 16.66 C ATOM 1303 O LYS A 147 -13.123 42.720 1.374 1.00 20.67 O ATOM 1304 CB LYS A 147 -10.648 44.053 2.986 1.00 15.71 C ATOM 1305 CG LYS A 147 -9.857 45.271 3.431 1.00 16.52 C ATOM 1306 CD LYS A 147 -10.127 46.473 2.542 1.00 20.41 C ATOM 1307 CE LYS A 147 -9.634 46.248 1.122 1.00 25.89 C ATOM 1308 NZ LYS A 147 -9.862 47.448 0.267 1.00 23.53 N ATOM 1309 HZ1 LYS A 147 -10.880 47.659 0.233 1.00 0.00 H ATOM 1310 HZ2 LYS A 147 -9.351 48.260 0.668 1.00 0.00 H ATOM 1311 HZ3 LYS A 147 -9.514 47.258 -0.694 1.00 0.00 H ATOM 1312 H LYS A 147 -11.990 44.734 5.063 1.00 0.00 H ATOM 1313 N ALA A 148 -13.069 42.061 3.525 1.00 14.59 N ATOM 1314 CA ALA A 148 -13.755 40.795 3.278 1.00 17.64 C ATOM 1315 C ALA A 148 -15.200 41.053 2.862 1.00 17.46 C ATOM 1316 O ALA A 148 -15.750 40.349 2.013 1.00 16.86 O ATOM 1317 CB ALA A 148 -13.706 39.918 4.516 1.00 16.16 C ATOM 1318 H ALA A 148 -12.756 42.286 4.491 1.00 0.00 H ATOM 1319 N ILE A 149 -15.811 42.062 3.477 1.00 13.52 N ATOM 1320 CA ILE A 149 -17.163 42.479 3.122 1.00 15.16 C ATOM 1321 C ILE A 149 -17.182 43.077 1.718 1.00 17.91 C ATOM 1322 O ILE A 149 -18.071 42.783 0.919 1.00 14.55 O ATOM 1323 CB ILE A 149 -17.715 43.517 4.121 1.00 14.72 C ATOM 1324 CG1 ILE A 149 -17.851 42.904 5.517 1.00 12.87 C ATOM 1325 CG2 ILE A 149 -19.061 44.060 3.657 1.00 12.07 C ATOM 1326 CD1 ILE A 149 -18.364 43.882 6.565 1.00 15.53 C ATOM 1327 H ILE A 149 -15.309 42.569 4.234 1.00 0.00 H ATOM 1328 N GLU A 150 -16.195 43.919 1.427 1.00 13.12 N ATOM 1329 CA GLU A 150 -16.072 44.542 0.116 1.00 16.12 C ATOM 1330 C GLU A 150 -15.968 43.482 -0.984 1.00 17.20 C ATOM 1331 O GLU A 150 -16.517 43.647 -2.075 1.00 15.71 O ATOM 1332 CB GLU A 150 -14.845 45.459 0.096 1.00 14.08 C ATOM 1333 CG GLU A 150 -14.679 46.274 -1.174 1.00 19.38 C ATOM 1334 CD GLU A 150 -13.431 47.134 -1.146 1.00 23.37 C ATOM 1335 OE1 GLU A 150 -12.482 46.775 -0.416 1.00 21.99 O ATOM 1336 OE2 GLU A 150 -13.400 48.167 -1.848 1.00 22.05 O ATOM 1337 H GLU A 150 -15.489 44.140 2.158 1.00 0.00 H ATOM 1338 N LYS A 151 -15.279 42.386 -0.677 1.00 18.98 N ATOM 1339 CA LYS A 151 -15.016 41.328 -1.656 1.00 20.56 C ATOM 1340 C LYS A 151 -16.283 40.661 -2.202 1.00 21.64 C ATOM 1341 O LYS A 151 -16.301 40.200 -3.344 1.00 18.29 O ATOM 1342 CB LYS A 151 -14.078 40.271 -1.058 1.00 20.05 C ATOM 1343 CG LYS A 151 -13.607 39.207 -2.046 1.00 28.01 C ATOM 1344 CD LYS A 151 -12.696 39.800 -3.118 1.00 39.57 C ATOM 1345 CE LYS A 151 -12.434 38.806 -4.246 1.00 46.25 C ATOM 1346 NZ LYS A 151 -11.389 39.298 -5.189 1.00 44.49 N ATOM 1347 HZ1 LYS A 151 -11.700 40.196 -5.611 1.00 0.00 H ATOM 1348 HZ2 LYS A 151 -10.499 39.446 -4.672 1.00 0.00 H ATOM 1349 HZ3 LYS A 151 -11.242 38.593 -5.940 1.00 0.00 H ATOM 1350 H LYS A 151 -14.915 42.276 0.291 1.00 0.00 H ATOM 1351 N VAL A 152 -17.339 40.613 -1.393 1.00 13.77 N ATOM 1352 CA VAL A 152 -18.584 39.979 -1.822 1.00 16.89 C ATOM 1353 C VAL A 152 -19.574 40.977 -2.423 1.00 17.32 C ATOM 1354 O VAL A 152 -20.714 40.623 -2.722 1.00 16.89 O ATOM 1355 CB VAL A 152 -19.272 39.207 -0.673 1.00 14.91 C ATOM 1356 CG1 VAL A 152 -18.331 38.176 -0.082 1.00 18.85 C ATOM 1357 CG2 VAL A 152 -19.759 40.164 0.402 1.00 14.93 C ATOM 1358 H VAL A 152 -17.277 41.032 -0.443 1.00 0.00 H ATOM 1359 N GLY A 153 -19.135 42.219 -2.600 1.00 15.49 N ATOM 1360 CA GLY A 153 -19.988 43.244 -3.177 1.00 15.15 C ATOM 1361 C GLY A 153 -20.080 43.153 -4.690 1.00 19.14 C ATOM 1362 O GLY A 153 -19.513 42.244 -5.298 1.00 16.85 O ATOM 1363 H GLY A 153 -18.163 42.462 -2.320 1.00 0.00 H ATOM 1364 N SER A 154 -20.800 44.095 -5.297 1.00 12.76 N ATOM 1365 CA SER A 154 -20.947 44.142 -6.751 1.00 17.59 C ATOM 1366 C SER A 154 -21.235 45.567 -7.213 1.00 17.09 C ATOM 1367 O SER A 154 -21.468 46.451 -6.391 1.00 16.55 O ATOM 1368 CB SER A 154 -22.064 43.202 -7.210 1.00 22.30 C ATOM 1369 OG SER A 154 -23.335 43.675 -6.793 1.00 21.06 O ATOM 1370 HG SER A 154 -23.356 43.733 -5.805 1.00 0.00 H ATOM 1371 H SER A 154 -21.272 44.819 -4.719 1.00 0.00 H ATOM 1372 N SER A 155 -21.226 45.786 -8.527 1.00 16.38 N ATOM 1373 CA SER A 155 -21.445 47.121 -9.084 1.00 20.32 C ATOM 1374 C SER A 155 -22.862 47.617 -8.802 1.00 19.49 C ATOM 1375 O SER A 155 -23.104 48.824 -8.717 1.00 20.34 O ATOM 1376 CB SER A 155 -21.189 47.130 -10.592 1.00 16.92 C ATOM 1377 OG SER A 155 -22.233 46.478 -11.294 1.00 18.74 O ATOM 1378 HG SER A 155 -23.089 46.942 -11.116 1.00 0.00 H ATOM 1379 H SER A 155 -21.059 44.988 -9.173 1.00 0.00 H ATOM 1380 N SER A 156 -23.795 46.679 -8.664 1.00 17.01 N ATOM 1381 CA SER A 156 -25.187 47.017 -8.386 1.00 20.03 C ATOM 1382 C SER A 156 -25.372 47.304 -6.903 1.00 18.56 C ATOM 1383 O SER A 156 -26.311 47.999 -6.507 1.00 23.11 O ATOM 1384 CB SER A 156 -26.112 45.877 -8.808 1.00 21.19 C ATOM 1385 OG SER A 156 -25.879 44.714 -8.033 1.00 20.28 O ATOM 1386 HG SER A 156 -24.941 44.421 -8.153 1.00 0.00 H ATOM 1387 H SER A 156 -23.525 45.679 -8.757 1.00 0.00 H ATOM 1388 N GLY A 157 -24.470 46.768 -6.086 1.00 17.30 N ATOM 1389 CA GLY A 157 -24.553 46.940 -4.647 1.00 16.43 C ATOM 1390 C GLY A 157 -25.034 45.673 -3.969 1.00 14.99 C ATOM 1391 O GLY A 157 -24.906 45.520 -2.751 1.00 15.04 O ATOM 1392 H GLY A 157 -23.687 46.213 -6.487 1.00 0.00 H ATOM 1393 N ARG A 158 -25.601 44.768 -4.763 1.00 16.06 N ATOM 1394 CA ARG A 158 -26.013 43.464 -4.264 1.00 20.11 C ATOM 1395 C ARG A 158 -24.792 42.691 -3.805 1.00 17.13 C ATOM 1396 O ARG A 158 -23.792 42.613 -4.519 1.00 20.12 O ATOM 1397 CB ARG A 158 -26.706 42.658 -5.359 1.00 21.20 C ATOM 1398 CG ARG A 158 -28.124 43.094 -5.677 1.00 24.06 C ATOM 1399 CD ARG A 158 -28.648 42.333 -6.885 1.00 34.10 C ATOM 1400 NE ARG A 158 -27.828 42.584 -8.068 1.00 35.32 N ATOM 1401 CZ ARG A 158 -27.853 41.844 -9.172 1.00 33.94 C ATOM 1402 NH1 ARG A 158 -28.660 40.795 -9.255 1.00 28.34 N ATOM 1403 NH2 ARG A 158 -27.067 42.153 -10.195 1.00 34.75 N ATOM 1404 HE ARG A 158 -27.180 43.397 -8.045 1.00 0.00 H ATOM 1405 HH12 ARG A 158 -28.676 40.219 -10.121 1.00 0.00 H ATOM 1406 HH11 ARG A 158 -29.276 40.549 -8.454 1.00 0.00 H ATOM 1407 HH22 ARG A 158 -27.086 41.574 -11.059 1.00 0.00 H ATOM 1408 HH21 ARG A 158 -26.432 42.974 -10.133 1.00 0.00 H ATOM 1409 H ARG A 158 -25.754 44.998 -5.766 1.00 0.00 H ATOM 1410 N THR A 159 -24.869 42.118 -2.612 1.00 14.31 N ATOM 1411 CA THR A 159 -23.830 41.204 -2.165 1.00 16.66 C ATOM 1412 C THR A 159 -24.093 39.830 -2.776 1.00 19.54 C ATOM 1413 O THR A 159 -25.185 39.574 -3.292 1.00 20.63 O ATOM 1414 CB THR A 159 -23.771 41.110 -0.630 1.00 19.36 C ATOM 1415 OG1 THR A 159 -25.034 40.665 -0.122 1.00 13.28 O ATOM 1416 CG2 THR A 159 -23.440 42.469 -0.021 1.00 17.30 C ATOM 1417 HG1 THR A 159 -24.989 40.607 0.865 1.00 0.00 H ATOM 1418 H THR A 159 -25.678 42.324 -1.992 1.00 0.00 H ATOM 1419 N ASN A 160 -23.093 38.955 -2.745 1.00 19.54 N ATOM 1420 CA ASN A 160 -23.285 37.592 -3.234 1.00 24.21 C ATOM 1421 C ASN A 160 -23.213 36.564 -2.104 1.00 20.98 C ATOM 1422 O ASN A 160 -23.424 35.367 -2.317 1.00 19.69 O ATOM 1423 CB ASN A 160 -22.311 37.252 -4.371 1.00 24.55 C ATOM 1424 CG ASN A 160 -20.882 37.659 -4.068 1.00 27.91 C ATOM 1425 OD1 ASN A 160 -20.334 38.565 -4.699 1.00 35.70 O ATOM 1426 ND2 ASN A 160 -20.265 36.981 -3.108 1.00 28.58 N ATOM 1427 HD22 ASN A 160 -20.767 36.224 -2.601 1.00 0.00 H ATOM 1428 HD21 ASN A 160 -19.280 37.207 -2.862 1.00 0.00 H ATOM 1429 H ASN A 160 -22.167 39.243 -2.370 1.00 0.00 H ATOM 1430 N LYS A 161 -22.905 37.055 -0.907 1.00 15.54 N ATOM 1431 CA LYS A 161 -23.018 36.289 0.328 1.00 18.76 C ATOM 1432 C LYS A 161 -23.658 37.204 1.363 1.00 15.08 C ATOM 1433 O LYS A 161 -23.416 38.411 1.352 1.00 16.80 O ATOM 1434 CB LYS A 161 -21.642 35.834 0.820 1.00 18.83 C ATOM 1435 CG LYS A 161 -20.917 34.868 -0.109 1.00 21.83 C ATOM 1436 CD LYS A 161 -19.675 34.299 0.564 1.00 24.80 C ATOM 1437 CE LYS A 161 -18.804 33.539 -0.426 1.00 34.48 C ATOM 1438 NZ LYS A 161 -19.554 32.448 -1.110 1.00 42.83 N ATOM 1439 HZ1 LYS A 161 -19.905 31.773 -0.401 1.00 0.00 H ATOM 1440 HZ2 LYS A 161 -20.358 32.855 -1.630 1.00 0.00 H ATOM 1441 HZ3 LYS A 161 -18.922 31.958 -1.774 1.00 0.00 H ATOM 1442 H LYS A 161 -22.566 38.036 -0.849 1.00 0.00 H ATOM 1443 N PRO A 162 -24.484 36.641 2.259 1.00 18.18 N ATOM 1444 CA PRO A 162 -25.072 37.480 3.309 1.00 14.54 C ATOM 1445 C PRO A 162 -24.010 37.990 4.276 1.00 14.30 C ATOM 1446 O PRO A 162 -23.216 37.201 4.799 1.00 13.44 O ATOM 1447 CB PRO A 162 -26.025 36.523 4.033 1.00 14.29 C ATOM 1448 CG PRO A 162 -25.490 35.159 3.749 1.00 18.80 C ATOM 1449 CD PRO A 162 -24.921 35.238 2.358 1.00 17.97 C ATOM 1450 N VAL A 163 -23.997 39.300 4.500 1.00 14.77 N ATOM 1451 CA VAL A 163 -23.046 39.924 5.411 1.00 16.08 C ATOM 1452 C VAL A 163 -23.795 40.400 6.646 1.00 13.04 C ATOM 1453 O VAL A 163 -24.583 41.343 6.571 1.00 13.28 O ATOM 1454 CB VAL A 163 -22.346 41.122 4.745 1.00 14.81 C ATOM 1455 CG1 VAL A 163 -21.371 41.779 5.713 1.00 10.77 C ATOM 1456 CG2 VAL A 163 -21.629 40.677 3.482 1.00 12.62 C ATOM 1457 H VAL A 163 -24.689 39.900 4.008 1.00 0.00 H ATOM 1458 N VAL A 164 -23.543 39.751 7.779 1.00 15.34 N ATOM 1459 CA VAL A 164 -24.359 39.950 8.974 1.00 11.70 C ATOM 1460 C VAL A 164 -23.546 40.440 10.176 1.00 15.80 C ATOM 1461 O VAL A 164 -22.415 40.000 10.397 1.00 13.44 O ATOM 1462 CB VAL A 164 -25.097 38.640 9.353 1.00 12.41 C ATOM 1463 CG1 VAL A 164 -25.951 38.830 10.594 1.00 12.58 C ATOM 1464 CG2 VAL A 164 -25.958 38.148 8.190 1.00 16.60 C ATOM 1465 H VAL A 164 -22.745 39.085 7.815 1.00 0.00 H ATOM 1466 N ILE A 165 -24.125 41.360 10.944 1.00 14.08 N ATOM 1467 CA ILE A 165 -23.555 41.749 12.226 1.00 13.28 C ATOM 1468 C ILE A 165 -23.972 40.718 13.275 1.00 16.45 C ATOM 1469 O ILE A 165 -25.041 40.820 13.877 1.00 13.69 O ATOM 1470 CB ILE A 165 -24.017 43.156 12.638 1.00 13.62 C ATOM 1471 CG1 ILE A 165 -23.628 44.175 11.563 1.00 17.71 C ATOM 1472 CG2 ILE A 165 -23.418 43.550 13.982 1.00 15.36 C ATOM 1473 CD1 ILE A 165 -24.206 45.559 11.788 1.00 16.73 C ATOM 1474 H ILE A 165 -25.005 41.811 10.621 1.00 0.00 H ATOM 1475 N ALA A 166 -23.122 39.713 13.470 1.00 17.34 N ATOM 1476 CA ALA A 166 -23.425 38.590 14.352 1.00 16.99 C ATOM 1477 C ALA A 166 -23.550 39.040 15.802 1.00 15.75 C ATOM 1478 O ALA A 166 -24.410 38.561 16.544 1.00 13.39 O ATOM 1479 CB ALA A 166 -22.361 37.520 14.218 1.00 14.28 C ATOM 1480 H ALA A 166 -22.207 39.728 12.975 1.00 0.00 H ATOM 1481 N ASP A 167 -22.665 39.944 16.204 1.00 15.57 N ATOM 1482 CA ASP A 167 -22.742 40.558 17.521 1.00 14.07 C ATOM 1483 C ASP A 167 -22.194 41.976 17.431 1.00 14.00 C ATOM 1484 O ASP A 167 -21.480 42.310 16.482 1.00 15.14 O ATOM 1485 CB ASP A 167 -21.955 39.740 18.546 1.00 16.80 C ATOM 1486 CG ASP A 167 -22.482 39.918 19.956 1.00 19.38 C ATOM 1487 OD1 ASP A 167 -23.268 40.862 20.183 1.00 15.66 O ATOM 1488 OD2 ASP A 167 -22.109 39.115 20.838 1.00 26.26 O ATOM 1489 H ASP A 167 -21.896 40.221 15.561 1.00 0.00 H ATOM 1490 N CYS A 168 -22.531 42.812 18.408 1.00 12.42 N ATOM 1491 CA CYS A 168 -22.076 44.201 18.415 1.00 13.46 C ATOM 1492 C CYS A 168 -22.191 44.792 19.816 1.00 15.99 C ATOM 1493 O CYS A 168 -22.859 44.220 20.680 1.00 20.16 O ATOM 1494 CB CYS A 168 -22.897 45.034 17.427 1.00 15.21 C ATOM 1495 SG CYS A 168 -24.650 45.158 17.839 1.00 19.00 S ATOM 1496 H CYS A 168 -23.132 42.470 19.185 1.00 0.00 H ATOM 1497 N GLY A 169 -21.549 45.934 20.043 1.00 16.55 N ATOM 1498 CA GLY A 169 -21.607 46.579 21.344 1.00 17.86 C ATOM 1499 C GLY A 169 -20.539 47.636 21.556 1.00 18.68 C ATOM 1500 O GLY A 169 -19.864 48.052 20.610 1.00 15.52 O ATOM 1501 H GLY A 169 -20.997 46.372 19.278 1.00 0.00 H ATOM 1502 N GLN A 170 -20.383 48.072 22.804 1.00 16.52 N ATOM 1503 CA GLN A 170 -19.403 49.102 23.135 1.00 17.24 C ATOM 1504 C GLN A 170 -18.153 48.512 23.784 1.00 21.59 C ATOM 1505 O GLN A 170 -18.240 47.640 24.651 1.00 20.37 O ATOM 1506 CB GLN A 170 -20.022 50.169 24.041 1.00 13.50 C ATOM 1507 CG GLN A 170 -19.059 51.287 24.409 1.00 16.70 C ATOM 1508 CD GLN A 170 -19.764 52.515 24.946 1.00 19.89 C ATOM 1509 OE1 GLN A 170 -20.977 52.506 25.159 1.00 17.34 O ATOM 1510 NE2 GLN A 170 -19.006 53.585 25.160 1.00 14.81 N ATOM 1511 HE22 GLN A 170 -17.985 53.546 24.966 1.00 0.00 H ATOM 1512 HE21 GLN A 170 -19.434 54.461 25.522 1.00 0.00 H ATOM 1513 H GLN A 170 -20.973 47.670 23.560 1.00 0.00 H ATOM 1514 N LEU A 171 -16.992 49.000 23.359 1.00 15.76 N ATOM 1515 CA LEU A 171 -15.717 48.428 23.779 1.00 19.19 C ATOM 1516 C LEU A 171 -15.011 49.300 24.817 1.00 22.77 C ATOM 1517 O LEU A 171 -14.348 48.783 25.720 1.00 26.32 O ATOM 1518 CB LEU A 171 -14.816 48.216 22.560 1.00 21.74 C ATOM 1519 CG LEU A 171 -14.203 46.835 22.341 1.00 22.64 C ATOM 1520 CD1 LEU A 171 -15.161 45.764 22.791 1.00 27.24 C ATOM 1521 CD2 LEU A 171 -13.868 46.644 20.874 1.00 18.54 C ATOM 1522 H LEU A 171 -16.992 49.812 22.709 1.00 0.00 H ATOM 1523 N SER A 172 -15.150 50.616 24.681 1.00 24.29 N ATOM 1524 CA SER A 172 -14.566 51.561 25.630 1.00 22.88 C ATOM 1525 C SER A 172 -15.214 52.928 25.468 1.00 20.09 C ATOM 1526 O SER A 172 -16.074 53.111 24.606 1.00 23.86 O ATOM 1527 CB SER A 172 -13.053 51.675 25.429 1.00 20.55 C ATOM 1528 OG SER A 172 -12.746 52.140 24.126 1.00 26.78 O ATOM 1529 HG SER A 172 -11.764 52.204 24.023 1.00 0.00 H ATOM 1530 H SER A 172 -15.692 50.984 23.873 1.00 0.00 H TER 1531 SER A 172 HETATM 1532 O HOH 1 -22.108 46.686 24.850 1.00 13.15 O HETATM 1533 O HOH 2 -25.434 40.996 2.740 1.00 13.51 O HETATM 1534 O HOH 3 -26.313 46.613 9.368 1.00 17.41 O HETATM 1535 O HOH 4 -25.429 57.911 14.111 1.00 15.64 O HETATM 1536 O HOH 5 -13.807 58.339 2.842 1.00 16.39 O HETATM 1537 O HOH 6 -7.882 48.483 10.860 1.00 17.45 O HETATM 1538 O HOH 7 -31.027 40.138 -7.862 1.00 21.11 O HETATM 1539 O HOH 8 -18.286 66.054 11.311 1.00 13.83 O HETATM 1540 O HOH 9 -29.493 57.015 8.285 1.00 16.17 O HETATM 1541 O HOH 10 -27.252 42.713 -0.987 1.00 16.62 O HETATM 1542 O HOH 11 -17.472 38.058 22.252 1.00 16.24 O HETATM 1543 O HOH 12 -15.069 38.741 16.030 1.00 16.55 O HETATM 1544 O HOH 13 -29.339 63.826 6.573 1.00 18.80 O HETATM 1545 O HOH 14 -30.372 51.238 21.879 1.00 19.54 O HETATM 1546 O HOH 15 -26.055 62.816 6.992 1.00 15.47 O HETATM 1547 O HOH 16 -19.052 65.665 5.432 1.00 18.15 O HETATM 1548 O HOH 17 -10.139 43.411 15.195 1.00 19.15 O HETATM 1549 O HOH 18 -8.520 59.579 6.589 1.00 28.91 O HETATM 1550 O HOH 19 -25.936 64.375 12.048 1.00 18.08 O HETATM 1551 O HOH 20 -17.766 27.069 10.087 1.00 32.44 O HETATM 1552 O HOH 21 -23.932 43.777 -9.970 1.00 23.94 O HETATM 1553 O HOH 22 -12.693 56.979 -4.513 1.00 18.03 O HETATM 1554 O HOH 23 -32.901 66.697 15.167 1.00 24.75 O HETATM 1555 O HOH 24 -24.926 50.759 -8.313 1.00 20.27 O HETATM 1556 O HOH 25 -25.674 62.604 -1.182 1.00 18.53 O HETATM 1557 O HOH 26 -28.288 66.133 1.300 1.00 22.63 O HETATM 1558 O HOH 27 -26.756 50.465 -5.754 1.00 22.15 O HETATM 1559 O HOH 28 -20.922 28.814 6.674 1.00 20.15 O HETATM 1560 O HOH 29 -27.344 66.505 4.163 1.00 17.04 O HETATM 1561 O HOH 30 -30.007 69.007 9.020 1.00 14.78 O HETATM 1562 O HOH 31 -29.046 47.085 6.538 1.00 11.25 O HETATM 1563 O HOH 32 -26.319 68.597 3.159 1.00 18.75 O HETATM 1564 O HOH 33 -14.984 65.034 -5.342 1.00 19.98 O HETATM 1565 O HOH 34 -23.925 32.131 0.947 1.00 32.19 O HETATM 1566 O HOH 35 -19.218 39.111 20.518 1.00 18.84 O HETATM 1567 O HOH 36 -35.717 62.864 21.492 1.00 37.96 O HETATM 1568 O HOH 37 -20.369 72.008 9.345 1.00 21.10 O HETATM 1569 O HOH 38 -9.945 57.214 6.508 1.00 25.58 O HETATM 1570 O HOH 39 -19.060 65.555 8.759 1.00 16.07 O HETATM 1571 O HOH 40 -21.351 58.750 22.796 1.00 19.54 O HETATM 1572 O HOH 41 -9.242 56.825 -2.214 1.00 21.97 O HETATM 1573 O HOH 42 -6.091 51.980 13.237 1.00 23.94 O HETATM 1574 O HOH 43 -9.132 52.103 -0.832 1.00 24.76 O HETATM 1575 O HOH 44 -38.955 44.017 5.345 1.00 24.52 O HETATM 1576 O HOH 45 -19.242 56.181 26.477 1.00 24.54 O HETATM 1577 O HOH 46 -24.774 32.045 3.752 1.00 35.12 O HETATM 1578 O HOH 47 -22.241 70.861 15.905 1.00 18.44 O HETATM 1579 O HOH 48 -13.864 38.301 18.865 1.00 15.77 O HETATM 1580 O HOH 49 -25.127 44.238 -12.398 1.00 32.74 O HETATM 1581 O HOH 50 -16.644 48.827 -0.940 1.00 24.63 O HETATM 1582 O HOH 51 -14.596 55.018 -4.856 1.00 18.28 O HETATM 1583 O HOH 52 -25.034 44.186 22.053 1.00 16.08 O HETATM 1584 O HOH 53 -7.720 51.353 10.907 1.00 21.17 O HETATM 1585 O HOH 54 -11.604 44.084 -0.770 1.00 23.60 O HETATM 1586 O HOH 55 -15.191 37.549 1.779 1.00 22.33 O HETATM 1587 O HOH 56 -20.782 36.427 20.379 1.00 26.75 O HETATM 1588 O HOH 57 -12.828 62.923 -5.803 1.00 31.33 O HETATM 1589 O HOH 58 -24.310 46.959 -12.517 1.00 23.47 O HETATM 1590 O HOH 59 -22.894 38.569 23.236 1.00 28.57 O HETATM 1591 O HOH 60 -26.456 38.258 -5.401 1.00 22.27 O HETATM 1592 O HOH 61 -30.489 51.812 1.672 1.00 18.34 O HETATM 1593 O HOH 62 -11.183 61.924 10.687 1.00 27.91 O HETATM 1594 O HOH 63 -16.744 41.313 23.365 1.00 19.75 O HETATM 1595 O HOH 64 -11.887 62.889 8.121 1.00 22.07 O HETATM 1596 O HOH 65 -28.264 69.893 6.603 1.00 21.57 O HETATM 1597 O HOH 66 -26.998 37.928 15.544 1.00 19.68 O HETATM 1598 O HOH 67 -14.537 46.258 26.831 1.00 20.89 O HETATM 1599 O HOH 68 -16.306 55.942 26.048 1.00 32.16 O HETATM 1600 O HOH 69 -28.664 38.541 5.541 1.00 20.00 O HETATM 1601 O HOH 70 -24.249 35.852 11.986 1.00 18.51 O HETATM 1602 O HOH 71 -23.999 72.426 14.172 1.00 26.73 O HETATM 1603 O HOH 72 -22.719 71.476 3.246 1.00 24.34 O HETATM 1604 O HOH 73 -21.381 30.205 -0.811 1.00 41.20 O HETATM 1605 O HOH 74 -18.719 66.826 22.386 1.00 25.64 O HETATM 1606 O HOH 75 -38.868 60.935 11.185 1.00 28.23 O HETATM 1607 O HOH 76 -10.793 40.662 13.681 1.00 25.45 O HETATM 1608 O HOH 77 -11.277 49.575 -1.753 1.00 27.84 O HETATM 1609 O HOH 78 -8.091 59.478 12.740 1.00 36.11 O HETATM 1610 O HOH 79 -33.636 56.545 7.732 1.00 32.80 O HETATM 1611 O HOH 80 -15.225 51.377 -6.892 1.00 27.30 O HETATM 1612 O HOH 81 -11.428 65.808 8.046 1.00 19.15 O HETATM 1613 O HOH 82 -33.938 67.124 10.306 1.00 27.48 O HETATM 1614 O HOH 83 -27.299 63.029 22.604 1.00 28.36 O HETATM 1615 O HOH 84 -30.348 44.061 7.607 1.00 24.19 O HETATM 1616 O HOH 85 -39.511 50.250 5.669 1.00 22.35 O HETATM 1617 O HOH 86 -28.065 68.990 15.169 1.00 30.40 O HETATM 1618 O HOH 87 -8.405 42.763 12.765 1.00 30.98 O HETATM 1619 O HOH 88 -25.581 68.685 19.471 1.00 38.65 O HETATM 1620 O HOH 89 -12.670 63.407 16.398 1.00 30.33 O HETATM 1621 O HOH 90 -24.939 45.397 24.722 1.00 28.45 O HETATM 1622 O HOH 91 -33.363 45.100 15.819 1.00 26.47 O HETATM 1623 O HOH 92 -31.598 43.168 19.711 1.00 31.80 O HETATM 1624 O HOH 93 -28.347 58.765 25.006 1.00 25.48 O HETATM 1625 O HOH 94 -23.306 35.743 7.234 1.00 14.73 O HETATM 1626 O HOH 95 -20.334 43.509 -10.030 1.00 21.53 O HETATM 1627 O HOH 96 -21.291 41.679 -12.189 1.00 32.79 O HETATM 1628 O HOH 97 -33.097 58.650 5.718 1.00 26.68 O HETATM 1629 O HOH 98 -10.294 67.954 6.798 1.00 32.61 O HETATM 1630 O HOH 99 -11.086 51.823 -4.919 1.00 17.18 O HETATM 1631 O HOH 100 -27.883 63.423 0.637 1.00 20.36 O HETATM 1632 O HOH 101 -34.328 66.602 3.205 1.00 29.16 O HETATM 1633 O HOH 102 -12.630 64.549 1.538 1.00 22.63 O HETATM 1634 O HOH 103 -6.787 44.863 10.416 1.00 26.02 O HETATM 1635 O HOH 104 -19.842 58.214 25.115 1.00 32.76 O HETATM 1636 O HOH 105 -21.665 61.556 22.055 1.00 23.30 O HETATM 1637 O HOH 106 -38.660 53.945 11.711 1.00 35.65 O HETATM 1638 O HOH 107 -31.822 43.135 13.053 1.00 28.20 O HETATM 1639 O HOH 108 -38.051 53.101 9.096 1.00 36.65 O HETATM 1640 O HOH 109 -25.223 35.495 -5.302 1.00 29.21 O HETATM 1641 O HOH 110 -36.753 62.577 1.542 1.00 26.23 O HETATM 1642 O HOH 111 -21.496 43.902 -11.928 1.00 30.58 O HETATM 1643 O HOH 112 -33.173 57.871 25.842 1.00 43.57 O HETATM 1644 O HOH 113 -29.335 65.419 21.560 1.00 34.19 O HETATM 1645 O HOH 114 -15.382 28.553 11.453 1.00 22.95 O HETATM 1646 O HOH 115 -11.487 67.965 9.964 1.00 30.17 O HETATM 1647 O HOH 116 -43.182 50.521 20.355 1.00 29.08 O HETATM 1648 O HOH 117 -37.557 52.653 24.129 1.00 34.86 O HETATM 1649 O HOH 118 -18.346 70.456 3.257 1.00 32.52 O HETATM 1650 O HOH 119 -7.990 50.889 18.937 1.00 36.35 O HETATM 1651 O HOH 120 -40.472 52.659 11.361 1.00 31.84 O HETATM 1652 O HOH 121 -31.886 55.256 8.432 1.00 23.33 O HETATM 1653 O HOH 122 -35.861 57.744 13.192 1.00 24.13 O HETATM 1654 O HOH 123 -29.625 54.809 27.770 1.00 33.85 O HETATM 1655 O HOH 124 -10.275 37.489 10.930 1.00 29.01 O HETATM 1656 O HOH 125 -32.385 43.093 10.000 1.00 30.07 O HETATM 1657 O HOH 126 -30.063 41.034 8.515 1.00 22.18 O HETATM 1658 O HOH 127 -9.383 57.236 14.252 1.00 26.35 O HETATM 1659 O HOH 128 -12.375 61.178 -3.375 1.00 25.52 O HETATM 1660 O HOH 129 -26.055 53.495 -6.992 1.00 30.47 O HETATM 1661 O HOH 130 -33.889 52.709 -5.178 1.00 22.97 O HETATM 1662 O HOH 131 -27.415 60.868 -9.723 1.00 26.11 O HETATM 1663 O HOH 132 -31.631 54.102 -10.632 1.00 32.46 O HETATM 1664 O HOH 133 -29.121 53.216 -10.434 1.00 26.97 O HETATM 1665 O HOH 134 -34.358 55.322 -7.192 1.00 34.43 O HETATM 1666 O HOH 135 -24.314 53.352 -9.180 1.00 24.00 O HETATM 1667 N DAL A 136 -24.758 56.964 -10.097 1.00 -0.26 N HETATM 1668 CA DAL A 136 -23.413 57.365 -9.692 1.00 0.13 C HETATM 1669 CB DAL A 136 -22.437 57.153 -10.836 1.00 -0.02 C HETATM 1670 H3 DAL A 136 -21.429 57.458 -10.519 1.00 0.03 H HETATM 1671 H4 DAL A 136 -22.748 57.758 -11.700 1.00 0.03 H HETATM 1672 H5 DAL A 136 -22.427 56.090 -11.117 1.00 0.03 H HETATM 1673 C DAL A 136 -22.948 56.609 -8.446 1.00 0.21 C HETATM 1674 O DAL A 136 -23.133 55.395 -8.347 1.00 -0.39 O HETATM 1675 N DAL A 136 -22.338 57.325 -7.500 1.00 -0.25 N HETATM 1676 CN DAL A 136 -22.143 58.762 -7.605 1.00 0.03 C HETATM 1677 H6 DAL A 136 -22.517 59.113 -8.578 1.00 0.05 H HETATM 1678 H7 DAL A 136 -21.071 58.994 -7.519 1.00 0.05 H HETATM 1679 H8 DAL A 136 -22.693 59.267 -6.797 1.00 0.05 H HETATM 1680 CA DAL A 136 -21.892 56.702 -6.262 1.00 0.13 C HETATM 1681 CB DAL A 136 -20.370 56.735 -6.162 1.00 -0.01 C HETATM 1682 CG DAL A 136 -19.696 56.023 -7.326 1.00 -0.04 C HETATM 1683 CD1 DAL A 136 -18.185 56.211 -7.273 1.00 -0.06 C HETATM 1684 H13 DAL A 136 -17.721 55.689 -8.122 1.00 0.02 H HETATM 1685 H14 DAL A 136 -17.797 55.797 -6.331 1.00 0.02 H HETATM 1686 H15 DAL A 136 -17.947 57.283 -7.327 1.00 0.02 H HETATM 1687 CD2 DAL A 136 -20.052 54.543 -7.335 1.00 -0.06 C HETATM 1688 H16 DAL A 136 -21.145 54.429 -7.373 1.00 0.02 H HETATM 1689 H17 DAL A 136 -19.666 54.067 -6.421 1.00 0.02 H HETATM 1690 H18 DAL A 136 -19.602 54.063 -8.217 1.00 0.02 H HETATM 1691 H12 DAL A 136 -20.065 56.470 -8.261 1.00 0.03 H HETATM 1692 H10 DAL A 136 -20.067 56.245 -5.225 1.00 0.03 H HETATM 1693 H11 DAL A 136 -20.040 57.784 -6.151 1.00 0.03 H HETATM 1694 C DAL A 136 -22.445 57.407 -5.053 1.00 0.21 C HETATM 1695 O DAL A 136 -21.609 58.253 -4.299 1.00 -0.39 O HETATM 1696 N DAL A 136 -23.719 57.180 -4.735 1.00 -0.25 N HETATM 1697 CN DAL A 136 -24.549 56.248 -5.489 1.00 0.03 C HETATM 1698 H19 DAL A 136 -23.949 55.784 -6.286 1.00 0.05 H HETATM 1699 H20 DAL A 136 -25.395 56.790 -5.936 1.00 0.05 H HETATM 1700 H21 DAL A 136 -24.929 55.467 -4.814 1.00 0.05 H HETATM 1701 CA DAL A 136 -24.345 57.898 -3.628 1.00 0.13 C HETATM 1702 CB DAL A 136 -25.608 58.593 -4.156 1.00 -0.01 C HETATM 1703 CG DAL A 136 -25.294 59.649 -5.221 1.00 -0.04 C HETATM 1704 CD1 DAL A 136 -26.524 60.481 -5.568 1.00 -0.06 C HETATM 1705 H26 DAL A 136 -26.259 61.225 -6.333 1.00 0.02 H HETATM 1706 H27 DAL A 136 -26.885 60.996 -4.665 1.00 0.02 H HETATM 1707 H28 DAL A 136 -27.315 59.822 -5.956 1.00 0.02 H HETATM 1708 CD2 DAL A 136 -24.138 60.549 -4.800 1.00 -0.06 C HETATM 1709 H29 DAL A 136 -23.262 59.930 -4.554 1.00 0.02 H HETATM 1710 H30 DAL A 136 -24.432 61.135 -3.917 1.00 0.02 H HETATM 1711 H31 DAL A 136 -23.885 61.231 -5.625 1.00 0.02 H HETATM 1712 H25 DAL A 136 -24.985 59.115 -6.132 1.00 0.03 H HETATM 1713 H23 DAL A 136 -26.120 59.082 -3.314 1.00 0.03 H HETATM 1714 H24 DAL A 136 -26.271 57.834 -4.597 1.00 0.03 H HETATM 1715 C DAL A 136 -24.631 57.028 -2.419 1.00 0.21 C HETATM 1716 O DAL A 136 -24.829 55.643 -2.568 1.00 -0.39 O HETATM 1717 N DAL A 136 -24.911 57.544 -1.316 1.00 -0.25 N HETATM 1718 CN DAL A 136 -24.786 58.873 -0.874 1.00 0.03 C HETATM 1719 H32 DAL A 136 -24.362 59.489 -1.680 1.00 0.05 H HETATM 1720 H33 DAL A 136 -24.121 58.907 0.002 1.00 0.05 H HETATM 1721 H34 DAL A 136 -25.777 59.262 -0.598 1.00 0.05 H HETATM 1722 CA DAL A 136 -25.466 56.604 -0.340 1.00 0.14 C HETATM 1723 CB DAL A 136 -24.415 55.935 0.585 1.00 -0.01 C HETATM 1724 CG1 DAL A 136 -24.824 55.467 1.974 1.00 -0.06 C HETATM 1725 H37 DAL A 136 -23.956 55.021 2.481 1.00 0.02 H HETATM 1726 H38 DAL A 136 -25.623 54.716 1.887 1.00 0.02 H HETATM 1727 H39 DAL A 136 -25.189 56.325 2.558 1.00 0.02 H HETATM 1728 CG2 DAL A 136 -22.927 56.274 0.469 1.00 -0.06 C HETATM 1729 H40 DAL A 136 -22.705 56.603 -0.557 1.00 0.02 H HETATM 1730 H41 DAL A 136 -22.328 55.382 0.706 1.00 0.02 H HETATM 1731 H42 DAL A 136 -22.678 57.080 1.175 1.00 0.02 H HETATM 1732 H36 DAL A 136 -24.394 54.957 0.082 1.00 0.03 H HETATM 1733 C DAL A 136 -26.778 57.020 0.323 1.00 0.21 C HETATM 1734 O DAL A 136 -26.731 57.673 1.350 1.00 -0.39 O HETATM 1735 N DAL A 136 -27.742 56.624 -0.454 1.00 -0.25 N HETATM 1736 CN DAL A 136 -27.681 55.760 -1.565 1.00 0.03 C HETATM 1737 H43 DAL A 136 -26.629 55.570 -1.824 1.00 0.05 H HETATM 1738 H44 DAL A 136 -28.191 56.227 -2.421 1.00 0.05 H HETATM 1739 H45 DAL A 136 -28.175 54.809 -1.318 1.00 0.05 H HETATM 1740 CA DAL A 136 -29.015 57.022 0.075 1.00 0.16 C HETATM 1741 C DAL A 136 -29.884 55.944 0.696 1.00 0.21 C HETATM 1742 O DAL A 136 -29.566 54.787 0.680 1.00 -0.39 O HETATM 1743 N DAL A 136 -31.058 56.407 1.266 1.00 -0.26 N HETATM 1744 CA DAL A 136 -31.930 55.517 2.029 1.00 0.13 C HETATM 1745 C DAL A 136 -33.366 55.512 1.508 1.00 0.21 C HETATM 1746 O DAL A 136 -34.235 56.183 2.063 1.00 -0.39 O HETATM 1747 N DAL A 136 -33.616 54.757 0.441 1.00 -0.26 N HETATM 1748 CA DAL A 136 -34.940 54.746 -0.158 1.00 0.12 C HETATM 1749 C DAL A 136 -34.873 54.777 -1.668 1.00 0.20 C HETATM 1750 O DAL A 136 -35.194 53.626 -2.419 1.00 -0.39 O HETATM 1751 N DAL A 136 -34.507 55.927 -2.231 1.00 -0.25 N HETATM 1752 CN DAL A 136 -34.241 57.139 -1.470 1.00 0.03 C HETATM 1753 H72 DAL A 136 -34.388 56.939 -0.398 1.00 0.05 H HETATM 1754 H73 DAL A 136 -34.931 57.933 -1.792 1.00 0.05 H HETATM 1755 H74 DAL A 136 -33.204 57.461 -1.644 1.00 0.05 H HETATM 1756 CA DAL A 136 -34.357 56.025 -3.671 1.00 0.13 C HETATM 1757 CB DAL A 136 -35.072 57.266 -4.206 1.00 -0.01 C HETATM 1758 CG DAL A 136 -36.565 57.029 -4.458 1.00 -0.04 C HETATM 1759 CD1 DAL A 136 -36.825 55.681 -5.124 1.00 -0.06 C HETATM 1760 H79 DAL A 136 -37.906 55.554 -5.285 1.00 0.02 H HETATM 1761 H80 DAL A 136 -36.454 54.874 -4.475 1.00 0.02 H HETATM 1762 H81 DAL A 136 -36.303 55.643 -6.092 1.00 0.02 H HETATM 1763 CD2 DAL A 136 -37.402 57.172 -3.191 1.00 -0.06 C HETATM 1764 H82 DAL A 136 -37.200 58.149 -2.727 1.00 0.02 H HETATM 1765 H83 DAL A 136 -37.140 56.370 -2.486 1.00 0.02 H HETATM 1766 H84 DAL A 136 -38.469 57.101 -3.447 1.00 0.02 H HETATM 1767 H78 DAL A 136 -36.899 57.809 -5.158 1.00 0.03 H HETATM 1768 H76 DAL A 136 -34.599 57.563 -5.153 1.00 0.03 H HETATM 1769 H77 DAL A 136 -34.964 58.078 -3.472 1.00 0.03 H HETATM 1770 C DAL A 136 -32.906 56.055 -4.061 1.00 0.20 C HETATM 1771 O DAL A 136 -32.155 57.240 -3.929 1.00 -0.39 O HETATM 1772 N DAL A 136 -32.392 54.919 -4.527 1.00 -0.26 N HETATM 1773 CA DAL A 136 -30.997 54.817 -4.946 1.00 0.13 C HETATM 1774 C DAL A 136 -30.799 55.554 -6.270 1.00 0.21 C HETATM 1775 O DAL A 136 -31.469 55.251 -7.258 1.00 -0.39 O HETATM 1776 N DAL A 136 -29.889 56.525 -6.292 1.00 -0.25 N HETATM 1777 CN DAL A 136 -29.047 56.825 -5.143 1.00 0.03 C HETATM 1778 H94 DAL A 136 -29.306 56.151 -4.313 1.00 0.05 H HETATM 1779 H95 DAL A 136 -29.208 57.868 -4.833 1.00 0.05 H HETATM 1780 H96 DAL A 136 -27.991 56.682 -5.415 1.00 0.05 H HETATM 1781 CA DAL A 136 -29.701 57.313 -7.503 1.00 0.13 C HETATM 1782 CB DAL A 136 -29.705 58.811 -7.198 1.00 -0.01 C HETATM 1783 CG DAL A 136 -31.039 59.273 -6.612 1.00 -0.04 C HETATM 1784 CD1 DAL A 136 -31.058 60.783 -6.409 1.00 -0.06 C HETATM 1785 H101 DAL A 136 -32.028 61.084 -5.987 1.00 0.02 H HETATM 1786 H102 DAL A 136 -30.907 61.285 -7.376 1.00 0.02 H HETATM 1787 H103 DAL A 136 -30.253 61.070 -5.717 1.00 0.02 H HETATM 1788 CD2 DAL A 136 -32.213 58.828 -7.475 1.00 -0.06 C HETATM 1789 H104 DAL A 136 -32.178 57.736 -7.607 1.00 0.02 H HETATM 1790 H105 DAL A 136 -32.152 59.319 -8.458 1.00 0.02 H HETATM 1791 H106 DAL A 136 -33.156 59.108 -6.983 1.00 0.02 H HETATM 1792 H100 DAL A 136 -31.151 58.800 -5.625 1.00 0.03 H HETATM 1793 H98 DAL A 136 -29.516 59.364 -8.130 1.00 0.03 H HETATM 1794 H99 DAL A 136 -28.905 59.028 -6.475 1.00 0.03 H HETATM 1795 C DAL A 136 -28.460 56.929 -8.263 1.00 0.20 C HETATM 1796 O DAL A 136 -27.531 56.022 -7.716 1.00 -0.39 O HETATM 1797 N DAL A 136 -28.302 57.485 -9.460 1.00 -0.26 N HETATM 1798 CA DAL A 136 -27.170 57.149 -10.321 1.00 0.13 C HETATM 1799 C DAL A 136 -25.840 57.668 -9.770 1.00 0.20 C HETATM 1800 O DAL A 136 -25.797 58.675 -9.063 1.00 -0.39 O HETATM 1801 CB DAL A 136 -27.403 57.671 -11.730 1.00 -0.02 C HETATM 1802 H109 DAL A 136 -26.543 57.410 -12.364 1.00 0.03 H HETATM 1803 H110 DAL A 136 -27.519 58.764 -11.701 1.00 0.03 H HETATM 1804 H111 DAL A 136 -28.315 57.216 -12.143 1.00 0.03 H HETATM 1805 H108 DAL A 136 -27.104 56.052 -10.371 1.00 0.08 H HETATM 1806 H107 DAL A 136 -28.976 58.151 -9.780 1.00 0.19 H HETATM 1807 H97 DAL A 136 -30.560 57.107 -8.158 1.00 0.08 H HETATM 1808 CB DAL A 136 -30.571 53.345 -5.099 1.00 -0.01 C HETATM 1809 CG1 DAL A 136 -29.099 53.245 -5.446 1.00 -0.06 C HETATM 1810 H88 DAL A 136 -28.818 52.187 -5.550 1.00 0.02 H HETATM 1811 H89 DAL A 136 -28.502 53.706 -4.646 1.00 0.02 H HETATM 1812 H90 DAL A 136 -28.909 53.770 -6.394 1.00 0.02 H HETATM 1813 CG2 DAL A 136 -30.856 52.579 -3.819 1.00 -0.06 C HETATM 1814 H91 DAL A 136 -31.926 52.657 -3.575 1.00 0.02 H HETATM 1815 H92 DAL A 136 -30.261 53.004 -2.997 1.00 0.02 H HETATM 1816 H93 DAL A 136 -30.588 51.521 -3.957 1.00 0.02 H HETATM 1817 H87 DAL A 136 -31.155 52.895 -5.916 1.00 0.03 H HETATM 1818 H86 DAL A 136 -30.364 55.288 -4.179 1.00 0.08 H HETATM 1819 H85 DAL A 136 -32.978 54.112 -4.592 1.00 0.19 H HETATM 1820 H75 DAL A 136 -34.819 55.136 -4.126 1.00 0.08 H HETATM 1821 H67 DAL A 136 -35.496 55.628 0.192 1.00 0.08 H HETATM 1822 H68 DAL A 136 -35.466 53.832 0.156 1.00 0.08 H HETATM 1823 CN DAL A 136 -32.589 53.979 -0.226 1.00 0.03 C HETATM 1824 H69 DAL A 136 -31.642 54.072 0.326 1.00 0.05 H HETATM 1825 H70 DAL A 136 -32.454 54.353 -1.252 1.00 0.05 H HETATM 1826 H71 DAL A 136 -32.892 52.922 -0.258 1.00 0.05 H HETATM 1827 CB DAL A 136 -31.912 55.883 3.516 1.00 -0.02 C HETATM 1828 CG DAL A 136 -30.534 55.739 4.138 1.00 -0.06 C HETATM 1829 H64 DAL A 136 -30.581 56.014 5.202 1.00 0.02 H HETATM 1830 H65 DAL A 136 -29.826 56.402 3.619 1.00 0.02 H HETATM 1831 H66 DAL A 136 -30.196 54.697 4.043 1.00 0.02 H HETATM 1832 H62 DAL A 136 -32.610 55.221 4.050 1.00 0.03 H HETATM 1833 H63 DAL A 136 -32.240 56.927 3.626 1.00 0.03 H HETATM 1834 H61 DAL A 136 -31.534 54.496 1.925 1.00 0.08 H HETATM 1835 H60 DAL A 136 -31.313 57.367 1.153 1.00 0.19 H HETATM 1836 CB DAL A 136 -29.824 57.854 -0.899 1.00 0.10 C HETATM 1837 OG1 DAL A 136 -30.367 57.072 -1.916 1.00 -0.39 O HETATM 1838 H48 DAL A 136 -30.866 57.624 -2.506 1.00 0.21 H HETATM 1839 CG2 DAL A 136 -29.033 58.993 -1.521 1.00 -0.01 C HETATM 1840 CD1 DAL A 136 -28.324 59.957 -0.576 1.00 -0.06 C HETATM 1841 H50 DAL A 136 -27.796 60.724 -1.162 1.00 0.02 H HETATM 1842 H51 DAL A 136 -27.600 59.402 0.038 1.00 0.02 H HETATM 1843 H52 DAL A 136 -29.065 60.441 0.078 1.00 0.02 H HETATM 1844 CD2 DAL A 136 -29.868 59.701 -2.592 1.00 -0.03 C HETATM 1845 CE DAL A 136 -30.998 60.476 -2.028 1.00 -0.10 C HETATM 1846 CZ DAL A 136 -32.204 60.201 -2.410 1.00 -0.10 C HETATM 1847 CH DAL A 136 -33.375 60.981 -1.893 1.00 -0.05 C HETATM 1848 H57 DAL A 136 -34.301 60.590 -2.339 1.00 0.04 H HETATM 1849 H58 DAL A 136 -33.257 62.041 -2.162 1.00 0.04 H HETATM 1850 H59 DAL A 136 -33.426 60.884 -0.798 1.00 0.04 H HETATM 1851 H56 DAL A 136 -32.370 59.390 -3.118 1.00 0.04 H HETATM 1852 H55 DAL A 136 -30.816 61.267 -1.302 1.00 0.04 H HETATM 1853 H53 DAL A 136 -30.272 58.943 -3.279 1.00 0.04 H HETATM 1854 H54 DAL A 136 -29.214 60.389 -3.148 1.00 0.04 H HETATM 1855 H49 DAL A 136 -28.214 58.499 -2.065 1.00 0.03 H HETATM 1856 H47 DAL A 136 -30.656 58.297 -0.332 1.00 0.06 H HETATM 1857 H46 DAL A 136 -28.765 57.696 0.907 1.00 0.08 H HETATM 1858 H35 DAL A 136 -25.786 55.766 -0.977 1.00 0.08 H HETATM 1859 H22 DAL A 136 -23.643 58.678 -3.299 1.00 0.08 H HETATM 1860 H9 DAL A 136 -22.234 55.656 -6.255 1.00 0.08 H HETATM 1861 H2 DAL A 136 -23.435 58.438 -9.450 1.00 0.08 H HETATM 1862 H1 DAL A 136 -24.870 56.131 -10.639 1.00 0.19 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1667 1668 1799 1862 CONECT 1668 1667 1669 1673 1861 CONECT 1669 1668 1670 1671 1672 CONECT 1670 1669 CONECT 1671 1669 CONECT 1672 1669 CONECT 1673 1668 1674 1675 CONECT 1674 1673 CONECT 1675 1673 1676 1680 CONECT 1676 1675 1677 1678 1679 CONECT 1677 1676 CONECT 1678 1676 CONECT 1679 1676 CONECT 1680 1675 1681 1694 1860 CONECT 1681 1680 1682 1692 1693 CONECT 1682 1681 1683 1687 1691 CONECT 1683 1682 1684 1685 1686 CONECT 1684 1683 CONECT 1685 1683 CONECT 1686 1683 CONECT 1687 1682 1688 1689 1690 CONECT 1688 1687 CONECT 1689 1687 CONECT 1690 1687 CONECT 1691 1682 CONECT 1692 1681 CONECT 1693 1681 CONECT 1694 1680 1695 1696 CONECT 1695 1694 CONECT 1696 1694 1697 1701 CONECT 1697 1696 1698 1699 1700 CONECT 1698 1697 CONECT 1699 1697 CONECT 1700 1697 CONECT 1701 1696 1702 1715 1859 CONECT 1702 1701 1703 1713 1714 CONECT 1703 1702 1704 1708 1712 CONECT 1704 1703 1705 1706 1707 CONECT 1705 1704 CONECT 1706 1704 CONECT 1707 1704 CONECT 1708 1703 1709 1710 1711 CONECT 1709 1708 CONECT 1710 1708 CONECT 1711 1708 CONECT 1712 1703 CONECT 1713 1702 CONECT 1714 1702 CONECT 1715 1701 1716 1717 CONECT 1716 1715 CONECT 1717 1715 1718 1722 CONECT 1718 1717 1719 1720 1721 CONECT 1719 1718 CONECT 1720 1718 CONECT 1721 1718 CONECT 1722 1717 1723 1733 1858 CONECT 1723 1722 1724 1728 1732 CONECT 1724 1723 1725 1726 1727 CONECT 1725 1724 CONECT 1726 1724 CONECT 1727 1724 CONECT 1728 1723 1729 1730 1731 CONECT 1729 1728 CONECT 1730 1728 CONECT 1731 1728 CONECT 1732 1723 CONECT 1733 1722 1734 1735 CONECT 1734 1733 CONECT 1735 1733 1736 1740 CONECT 1736 1735 1737 1738 1739 CONECT 1737 1736 CONECT 1738 1736 CONECT 1739 1736 CONECT 1740 1735 1741 1836 1857 CONECT 1741 1740 1742 1743 CONECT 1742 1741 CONECT 1743 1741 1744 1835 CONECT 1744 1743 1745 1827 1834 CONECT 1745 1744 1746 1747 CONECT 1746 1745 CONECT 1747 1745 1748 1823 CONECT 1748 1747 1749 1821 1822 CONECT 1749 1748 1750 1751 CONECT 1750 1749 CONECT 1751 1749 1752 1756 CONECT 1752 1751 1753 1754 1755 CONECT 1753 1752 CONECT 1754 1752 CONECT 1755 1752 CONECT 1756 1751 1757 1770 1820 CONECT 1757 1756 1758 1768 1769 CONECT 1758 1757 1759 1763 1767 CONECT 1759 1758 1760 1761 1762 CONECT 1760 1759 CONECT 1761 1759 CONECT 1762 1759 CONECT 1763 1758 1764 1765 1766 CONECT 1764 1763 CONECT 1765 1763 CONECT 1766 1763 CONECT 1767 1758 CONECT 1768 1757 CONECT 1769 1757 CONECT 1770 1756 1771 1772 CONECT 1771 1770 CONECT 1772 1770 1773 1819 CONECT 1773 1772 1774 1808 1818 CONECT 1774 1773 1775 1776 CONECT 1775 1774 CONECT 1776 1774 1777 1781 CONECT 1777 1776 1778 1779 1780 CONECT 1778 1777 CONECT 1779 1777 CONECT 1780 1777 CONECT 1781 1776 1782 1795 1807 CONECT 1782 1781 1783 1793 1794 CONECT 1783 1782 1784 1788 1792 CONECT 1784 1783 1785 1786 1787 CONECT 1785 1784 CONECT 1786 1784 CONECT 1787 1784 CONECT 1788 1783 1789 1790 1791 CONECT 1789 1788 CONECT 1790 1788 CONECT 1791 1788 CONECT 1792 1783 CONECT 1793 1782 CONECT 1794 1782 CONECT 1795 1781 1796 1797 CONECT 1796 1795 CONECT 1797 1795 1798 1806 CONECT 1798 1797 1799 1801 1805 CONECT 1799 1667 1798 1800 CONECT 1800 1799 CONECT 1801 1798 1802 1803 1804 CONECT 1802 1801 CONECT 1803 1801 CONECT 1804 1801 CONECT 1805 1798 CONECT 1806 1797 CONECT 1807 1781 CONECT 1808 1773 1809 1813 1817 CONECT 1809 1808 1810 1811 1812 CONECT 1810 1809 CONECT 1811 1809 CONECT 1812 1809 CONECT 1813 1808 1814 1815 1816 CONECT 1814 1813 CONECT 1815 1813 CONECT 1816 1813 CONECT 1817 1808 CONECT 1818 1773 CONECT 1819 1772 CONECT 1820 1756 CONECT 1821 1748 CONECT 1822 1748 CONECT 1823 1747 1824 1825 1826 CONECT 1824 1823 CONECT 1825 1823 CONECT 1826 1823 CONECT 1827 1744 1828 1832 1833 CONECT 1828 1827 1829 1830 1831 CONECT 1829 1828 CONECT 1830 1828 CONECT 1831 1828 CONECT 1832 1827 CONECT 1833 1827 CONECT 1834 1744 CONECT 1835 1743 CONECT 1836 1740 1837 1839 1856 CONECT 1837 1836 1838 CONECT 1838 1837 CONECT 1839 1836 1840 1844 1855 CONECT 1840 1839 1841 1842 1843 CONECT 1841 1840 CONECT 1842 1840 CONECT 1843 1840 CONECT 1844 1839 1845 1853 1854 CONECT 1845 1844 1846 1852 CONECT 1846 1845 1847 1851 CONECT 1847 1846 1848 1849 1850 CONECT 1848 1847 CONECT 1849 1847 CONECT 1850 1847 CONECT 1851 1846 CONECT 1852 1845 CONECT 1853 1844 CONECT 1854 1844 CONECT 1855 1839 CONECT 1856 1836 CONECT 1857 1740 CONECT 1858 1722 CONECT 1859 1701 CONECT 1860 1680 CONECT 1861 1668 CONECT 1862 1667 MASTER 0 0 0 0 0 0 0 0 1861 1 200 14 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4jjm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1c5f
RCSB PDB
PDBbind
11aa, >1C5F_2|Chains... *
1cwc
RCSB PDB
PDBbind
11aa, >1CWC_2|Chain... at 100%
1cyn
RCSB PDB
PDBbind
11aa, >1CYN_2|Chain... at 90%
1mik
RCSB PDB
PDBbind
11aa, >1MIK_2|Chain... at 100%
1qng
RCSB PDB
PDBbind
11aa, >1QNG_2|Chain... at 100%
1qnh
RCSB PDB
PDBbind
11aa, >1QNH_2|Chains... at 100%
2wfj
RCSB PDB
PDBbind
11aa, >2WFJ_2|Chain... at 100%
2x2c
RCSB PDB
PDBbind
11aa, >2X2C_1|Chains... at 100%
2z6w
RCSB PDB
PDBbind
11aa, >2Z6W_2|Chains... at 100%
3eov
RCSB PDB
PDBbind
11aa, >3EOV_2|Chains... at 100%
4yv9
RCSB PDB
PDBbind
11aa, >4YV9_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
4jjm
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
cyclophilin from Citrus sinensis (CsCyp)
Ligand Name
11-mer
EC.Number
E.C.5.2.1.8
Resolution
2.09(Å)
Affinity (Kd/Ki/IC50)
Kd=27nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Plant Physiol. Vol. 162: pp. 1311-1323
Ligand Properties
Formula
C
6
2
H
1
1
1
N
1
1
O
1
2
Molecular Weight
1202.610
Exact Mass
1201.840
No. of atoms
196
No. of bonds
196
Polar Surface Area
278.8
LOGP Value
7.53 (
Computed with XLOGP3
)
4.15 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 1
Canonical SMILES
C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C
InChI String
InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
D0ELH5
Entrez Gene ID
NCBI Entrez Gene ID:
102623101
ASD
Information of known allosteric effects of PDB entries
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