Browse entries in the PDBbind-CN Database
HEADER 4WX4_COMPLEX COMPND 4WX4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 201 SER GLY SER SER GLU GLN GLU LEU ALA ALA ILE VAL ARG SEQRES 2 A 201 ASP LEU GLY CYS GLY PRO TYR PHE LEU GLY THR HIS ASP SEQRES 3 A 201 LYS ARG PHE PRO GLY PHE LEU ALA GLY ASN LYS LEU ALA SEQRES 4 A 201 CYS ALA ILE VAL ASN THR ALA GLY ARG GLU THR GLY GLY SEQRES 5 A 201 VAL HIS TRP LEU ALA PHE GLY TRP ASN PRO ARG SER ARG SEQRES 6 A 201 THR CYS TYR MET PHE ASP PRO PHE GLY PHE SER ASP ARG SEQRES 7 A 201 ARG LEU LYS GLN ILE TYR SER PHE GLU TYR GLU ALA MET SEQRES 8 A 201 LEU ARG ARG SER ALA LEU ALA LEU SER PRO ASP ARG CYS SEQRES 9 A 201 LEU SER LEU GLU GLN SER THR GLN THR VAL GLN GLY PRO SEQRES 10 A 201 ASP SER ALA ALA CYS GLY LEU PHE CYS CYS MET PHE LEU SEQRES 11 A 201 HIS ALA PHE VAL HIS TRP PRO ASP ARG PRO MET ASP GLY SEQRES 12 A 201 ASN PRO THR MET ASN LEU LEU THR GLY VAL PRO ASN GLY SEQRES 13 A 201 MET LEU GLN SER PRO GLN VAL LEU PRO THR LEU ARG ARG SEQRES 14 A 201 ASN GLN GLU LYS LEU TYR ARG PHE LEU ALA HIS HIS SER SEQRES 15 A 201 PRO TYR PHE ARG SER HIS ARG ALA ALA ILE GLU HIS ALA SEQRES 16 A 201 THR ALA PHE ASP LYS MET HET UNN A 452 55 ATOM 1 N SER A 1 -12.506 -4.407 19.344 1.00 76.31 N ATOM 2 CA SER A 1 -11.804 -3.433 20.185 1.00 43.55 C ATOM 3 C SER A 1 -10.917 -2.574 19.266 1.00 20.91 C ATOM 4 O SER A 1 -10.203 -3.099 18.441 1.00 18.95 O ATOM 5 CB SER A 1 -10.939 -4.137 21.235 1.00 43.02 C ATOM 6 OG SER A 1 -10.466 -3.199 22.151 1.00 78.01 O ATOM 7 HG SER A 1 -9.907 -3.655 22.829 1.00 0.00 H ATOM 8 HN3 SER A 1 -11.810 -5.003 18.852 1.00 0.00 H ATOM 9 HN2 SER A 1 -13.089 -3.903 18.645 1.00 0.00 H ATOM 10 HN1 SER A 1 -13.115 -5.003 19.940 1.00 0.00 H ATOM 11 N GLY A 2 -10.950 -1.282 19.478 1.00 22.36 N ATOM 12 CA GLY A 2 -10.162 -0.389 18.714 1.00 17.26 C ATOM 13 C GLY A 2 -10.675 -0.197 17.285 1.00 21.50 C ATOM 14 O GLY A 2 -11.814 -0.529 16.997 1.00 50.32 O ATOM 15 H GLY A 2 -11.569 -0.904 20.224 1.00 0.00 H ATOM 16 N SER A 3 -9.928 0.308 16.409 1.00 11.47 N ATOM 17 CA SER A 3 -10.305 0.686 15.038 1.00 8.44 C ATOM 18 C SER A 3 -10.164 -0.482 14.043 1.00 7.11 C ATOM 19 O SER A 3 -9.155 -1.182 14.008 1.00 8.94 O ATOM 20 CB SER A 3 -9.387 1.796 14.576 1.00 8.36 C ATOM 21 OG SER A 3 -9.420 2.937 15.391 1.00 8.92 O ATOM 22 HG SER A 3 -10.339 3.304 15.406 1.00 0.00 H ATOM 23 H SER A 3 -8.939 0.476 16.682 1.00 0.00 H ATOM 24 N SER A 4 -11.179 -0.575 13.177 1.00 8.67 N ATOM 25 CA SER A 4 -11.198 -1.517 12.054 1.00 8.04 C ATOM 26 C SER A 4 -10.310 -1.059 10.938 1.00 7.10 C ATOM 27 O SER A 4 -9.992 0.125 10.777 1.00 7.64 O ATOM 28 CB SER A 4 -12.611 -1.713 11.514 1.00 9.37 C ATOM 29 OG SER A 4 -13.032 -0.535 10.794 1.00 9.66 O ATOM 30 HG SER A 4 -13.949 -0.672 10.448 1.00 0.00 H ATOM 31 H SER A 4 -11.997 0.054 13.307 1.00 0.00 H ATOM 32 N GLU A 5 -10.015 -2.013 10.025 1.00 7.21 N ATOM 33 CA GLU A 5 -9.226 -1.680 8.874 1.00 7.28 C ATOM 34 C GLU A 5 -9.852 -0.610 8.006 1.00 7.48 C ATOM 35 O GLU A 5 -9.169 0.254 7.469 1.00 9.52 O ATOM 36 CB GLU A 5 -8.893 -2.953 8.005 1.00 8.68 C ATOM 37 CG GLU A 5 -10.089 -3.634 7.430 1.00 8.27 C ATOM 38 CD GLU A 5 -9.841 -4.960 6.779 1.00 8.48 C ATOM 39 OE1 GLU A 5 -8.679 -5.296 6.459 1.00 10.17 O ATOM 40 OE2 GLU A 5 -10.788 -5.773 6.558 1.00 11.82 O ATOM 41 H GLU A 5 -10.359 -2.985 10.157 1.00 0.00 H ATOM 42 N GLN A 6 -11.181 -0.682 7.857 1.00 7.40 N ATOM 43 CA GLN A 6 -11.841 0.264 6.999 1.00 8.30 C ATOM 44 C GLN A 6 -11.914 1.672 7.628 1.00 7.09 C ATOM 45 O GLN A 6 -11.824 2.679 6.916 1.00 7.91 O ATOM 46 CB GLN A 6 -13.259 -0.214 6.612 1.00 11.56 C ATOM 47 CG GLN A 6 -13.255 -1.540 5.914 1.00 15.49 C ATOM 48 CD GLN A 6 -13.586 -2.744 6.932 1.00 14.03 C ATOM 49 OE1 GLN A 6 -14.165 -3.736 6.461 1.00 22.19 O ATOM 50 NE2 GLN A 6 -13.250 -2.695 8.252 1.00 11.42 N ATOM 51 HE22 GLN A 6 -12.765 -1.858 8.634 1.00 0.00 H ATOM 52 HE21 GLN A 6 -13.479 -3.494 8.877 1.00 0.00 H ATOM 53 H GLN A 6 -11.728 -1.413 8.355 1.00 0.00 H ATOM 54 N GLU A 7 -12.073 1.713 8.953 1.00 6.67 N ATOM 55 CA GLU A 7 -12.057 3.031 9.660 1.00 6.86 C ATOM 56 C GLU A 7 -10.730 3.717 9.406 1.00 5.81 C ATOM 57 O GLU A 7 -10.674 4.920 9.116 1.00 6.37 O ATOM 58 CB GLU A 7 -12.272 2.812 11.143 1.00 7.51 C ATOM 59 CG GLU A 7 -12.024 4.039 12.005 1.00 8.23 C ATOM 60 CD GLU A 7 -12.438 3.878 13.455 1.00 8.37 C ATOM 61 OE1 GLU A 7 -13.648 3.554 13.688 1.00 9.83 O ATOM 62 OE2 GLU A 7 -11.623 4.014 14.390 1.00 11.80 O ATOM 63 H GLU A 7 -12.207 0.833 9.491 1.00 0.00 H ATOM 64 N LEU A 8 -9.652 2.964 9.605 1.00 6.16 N ATOM 65 CA LEU A 8 -8.301 3.561 9.440 1.00 6.32 C ATOM 66 C LEU A 8 -8.072 3.991 8.039 1.00 6.72 C ATOM 67 O LEU A 8 -7.513 5.064 7.786 1.00 7.26 O ATOM 68 CB LEU A 8 -7.279 2.602 10.001 1.00 6.86 C ATOM 69 CG LEU A 8 -7.394 2.239 11.424 1.00 7.01 C ATOM 70 CD1 LEU A 8 -6.292 1.278 11.903 1.00 10.85 C ATOM 71 CD2 LEU A 8 -7.441 3.481 12.369 1.00 9.89 C ATOM 72 H LEU A 8 -9.754 1.965 9.874 1.00 0.00 H ATOM 73 N ALA A 9 -8.453 3.153 7.058 1.00 6.93 N ATOM 74 CA ALA A 9 -8.240 3.563 5.661 1.00 7.70 C ATOM 75 C ALA A 9 -9.006 4.834 5.341 1.00 6.88 C ATOM 76 O ALA A 9 -8.512 5.729 4.659 1.00 7.59 O ATOM 77 CB ALA A 9 -8.639 2.431 4.753 1.00 9.64 C ATOM 78 H ALA A 9 -8.889 2.236 7.282 1.00 0.00 H ATOM 79 N ALA A 10 -10.273 4.936 5.826 1.00 6.55 N ATOM 80 CA ALA A 10 -11.088 6.132 5.545 1.00 7.00 C ATOM 81 C ALA A 10 -10.432 7.383 6.142 1.00 5.86 C ATOM 82 O ALA A 10 -10.377 8.444 5.483 1.00 6.39 O ATOM 83 CB ALA A 10 -12.478 5.979 6.075 1.00 7.60 C ATOM 84 H ALA A 10 -10.670 4.164 6.399 1.00 0.00 H ATOM 85 N ILE A 11 -9.989 7.287 7.392 1.00 5.70 N ATOM 86 CA ILE A 11 -9.413 8.433 8.047 1.00 5.90 C ATOM 87 C ILE A 11 -8.094 8.812 7.424 1.00 5.97 C ATOM 88 O ILE A 11 -7.821 10.017 7.188 1.00 6.31 O ATOM 89 CB ILE A 11 -9.321 8.206 9.570 1.00 6.03 C ATOM 90 CG1 ILE A 11 -10.762 8.122 10.140 1.00 6.78 C ATOM 91 CG2 ILE A 11 -8.529 9.284 10.235 1.00 6.84 C ATOM 92 CD1 ILE A 11 -10.833 7.737 11.583 1.00 8.25 C ATOM 93 H ILE A 11 -10.059 6.381 7.898 1.00 0.00 H ATOM 94 N VAL A 12 -7.221 7.844 7.112 1.00 6.03 N ATOM 95 CA VAL A 12 -5.944 8.214 6.481 1.00 7.54 C ATOM 96 C VAL A 12 -6.155 8.908 5.147 1.00 6.52 C ATOM 97 O VAL A 12 -5.433 9.843 4.809 1.00 7.87 O ATOM 98 CB VAL A 12 -4.991 7.078 6.392 1.00 10.90 C ATOM 99 CG1 VAL A 12 -4.560 6.494 7.555 1.00 14.39 C ATOM 100 CG2 VAL A 12 -5.164 6.202 5.429 1.00 11.03 C ATOM 101 H VAL A 12 -7.442 6.848 7.313 1.00 0.00 H ATOM 102 N ARG A 13 -7.188 8.484 4.399 1.00 6.62 N ATOM 103 CA ARG A 13 -7.432 9.186 3.156 1.00 6.93 C ATOM 104 C ARG A 13 -8.016 10.584 3.400 1.00 6.32 C ATOM 105 O ARG A 13 -7.689 11.543 2.665 1.00 7.16 O ATOM 106 CB ARG A 13 -8.293 8.322 2.274 1.00 6.93 C ATOM 107 CG ARG A 13 -7.549 7.095 1.818 1.00 8.31 C ATOM 108 CD ARG A 13 -8.458 6.128 1.163 1.00 12.90 C ATOM 109 NE ARG A 13 -7.653 5.023 0.613 1.00 13.71 N ATOM 110 CZ ARG A 13 -7.966 3.778 0.840 1.00 16.67 C ATOM 111 NH1 ARG A 13 -9.167 3.504 1.429 1.00 24.70 N ATOM 112 NH2 ARG A 13 -7.178 2.800 0.419 1.00 25.08 N ATOM 113 HE ARG A 13 -6.818 5.241 0.032 1.00 0.00 H ATOM 114 HH12 ARG A 13 -9.440 2.519 1.620 1.00 0.00 H ATOM 115 HH11 ARG A 13 -9.809 4.281 1.686 1.00 0.00 H ATOM 116 HH22 ARG A 13 -7.435 1.809 0.604 1.00 0.00 H ATOM 117 HH21 ARG A 13 -6.303 3.023 -0.097 1.00 0.00 H ATOM 118 H ARG A 13 -7.785 7.687 4.699 1.00 0.00 H ATOM 119 N ASP A 14 -8.828 10.765 4.426 1.00 6.00 N ATOM 120 CA ASP A 14 -9.272 12.135 4.791 1.00 6.28 C ATOM 121 C ASP A 14 -8.076 13.016 5.119 1.00 6.13 C ATOM 122 O ASP A 14 -8.179 14.239 4.897 1.00 7.40 O ATOM 123 CB ASP A 14 -10.192 12.106 6.007 1.00 6.28 C ATOM 124 CG ASP A 14 -11.602 11.729 5.731 1.00 7.28 C ATOM 125 OD1 ASP A 14 -12.019 11.604 4.576 1.00 7.94 O ATOM 126 OD2 ASP A 14 -12.354 11.570 6.754 1.00 7.80 O ATOM 127 H ASP A 14 -9.157 9.948 4.979 1.00 0.00 H ATOM 128 N LEU A 15 -7.035 12.451 5.693 1.00 6.29 N ATOM 129 CA LEU A 15 -5.839 13.178 6.125 1.00 6.25 C ATOM 130 C LEU A 15 -4.881 13.398 4.983 1.00 7.04 C ATOM 131 O LEU A 15 -3.760 13.884 5.222 1.00 8.77 O ATOM 132 CB LEU A 15 -5.204 12.450 7.292 1.00 6.77 C ATOM 133 CG LEU A 15 -5.997 12.432 8.552 1.00 8.57 C ATOM 134 CD1 LEU A 15 -5.313 11.609 9.634 1.00 8.31 C ATOM 135 CD2 LEU A 15 -6.440 13.711 9.062 1.00 12.57 C ATOM 136 H LEU A 15 -7.063 11.423 5.850 1.00 0.00 H ATOM 137 N GLY A 16 -5.242 13.075 3.738 1.00 6.78 N ATOM 138 CA GLY A 16 -4.425 13.395 2.582 1.00 7.47 C ATOM 139 C GLY A 16 -3.328 12.359 2.320 1.00 6.86 C ATOM 140 O GLY A 16 -2.427 12.639 1.524 1.00 7.70 O ATOM 141 H GLY A 16 -6.142 12.575 3.592 1.00 0.00 H ATOM 142 N CYS A 17 -3.457 11.174 2.912 1.00 6.59 N ATOM 143 CA CYS A 17 -2.434 10.169 2.744 1.00 7.07 C ATOM 144 C CYS A 17 -2.746 9.157 1.647 1.00 6.14 C ATOM 145 O CYS A 17 -1.887 8.293 1.370 1.00 6.88 O ATOM 146 CB CYS A 17 -2.261 9.370 4.059 1.00 9.42 C ATOM 147 SG CYS A 17 -1.834 10.407 5.487 1.00 11.98 S ATOM 148 H CYS A 17 -4.294 10.972 3.495 1.00 0.00 H ATOM 149 N GLY A 18 -3.931 9.218 1.049 1.00 6.71 N ATOM 150 CA GLY A 18 -4.375 8.219 0.081 1.00 7.64 C ATOM 151 C GLY A 18 -3.382 7.885 -1.000 1.00 6.88 C ATOM 152 O GLY A 18 -3.186 6.698 -1.256 1.00 8.61 O ATOM 153 H GLY A 18 -4.567 10.008 1.279 1.00 0.00 H ATOM 154 N PRO A 19 -2.746 8.864 -1.646 1.00 7.28 N ATOM 155 CA PRO A 19 -1.851 8.563 -2.744 1.00 8.79 C ATOM 156 C PRO A 19 -0.689 7.674 -2.374 1.00 6.77 C ATOM 157 O PRO A 19 -0.049 7.069 -3.231 1.00 8.77 O ATOM 158 CB PRO A 19 -1.355 9.936 -3.207 1.00 11.21 C ATOM 159 CG PRO A 19 -2.396 10.863 -2.838 1.00 11.02 C ATOM 160 CD PRO A 19 -2.931 10.322 -1.508 1.00 8.87 C ATOM 161 N TYR A 20 -0.308 7.730 -1.094 1.00 5.55 N ATOM 162 CA TYR A 20 0.889 7.161 -0.564 1.00 5.95 C ATOM 163 C TYR A 20 0.626 5.856 0.182 1.00 5.43 C ATOM 164 O TYR A 20 1.554 5.156 0.569 1.00 6.78 O ATOM 165 CB TYR A 20 1.591 8.154 0.374 1.00 6.45 C ATOM 166 CG TYR A 20 1.609 9.548 -0.267 1.00 5.98 C ATOM 167 CD1 TYR A 20 2.372 9.843 -1.379 1.00 6.33 C ATOM 168 CD2 TYR A 20 0.755 10.539 0.245 1.00 6.63 C ATOM 169 CE1 TYR A 20 2.277 11.070 -1.999 1.00 6.85 C ATOM 170 CE2 TYR A 20 0.643 11.774 -0.373 1.00 7.05 C ATOM 171 CZ TYR A 20 1.356 12.035 -1.493 1.00 7.40 C ATOM 172 OH TYR A 20 1.246 13.231 -2.197 1.00 9.03 O ATOM 173 HH TYR A 20 1.853 13.210 -2.978 1.00 0.00 H ATOM 174 H TYR A 20 -0.935 8.229 -0.430 1.00 0.00 H ATOM 175 N PHE A 21 -0.639 5.589 0.469 1.00 6.07 N ATOM 176 CA PHE A 21 -1.022 4.575 1.459 1.00 5.58 C ATOM 177 C PHE A 21 -1.136 3.213 0.808 1.00 5.57 C ATOM 178 O PHE A 21 -1.988 3.000 -0.065 1.00 8.07 O ATOM 179 CB PHE A 21 -2.343 4.992 2.079 1.00 6.85 C ATOM 180 CG PHE A 21 -2.800 4.108 3.221 1.00 6.08 C ATOM 181 CD1 PHE A 21 -2.030 3.966 4.369 1.00 7.35 C ATOM 182 CD2 PHE A 21 -4.054 3.494 3.166 1.00 7.33 C ATOM 183 CE1 PHE A 21 -2.512 3.208 5.435 1.00 8.48 C ATOM 184 CE2 PHE A 21 -4.530 2.744 4.281 1.00 8.40 C ATOM 185 CZ PHE A 21 -3.747 2.624 5.399 1.00 8.88 C ATOM 186 H PHE A 21 -1.387 6.116 -0.024 1.00 0.00 H ATOM 187 N LEU A 22 -0.351 2.287 1.288 1.00 5.63 N ATOM 188 CA LEU A 22 -0.318 0.909 0.772 1.00 5.98 C ATOM 189 C LEU A 22 -1.432 0.060 1.382 1.00 5.84 C ATOM 190 O LEU A 22 -1.622 -1.111 0.948 1.00 7.14 O ATOM 191 CB LEU A 22 1.049 0.305 1.021 1.00 6.99 C ATOM 192 CG LEU A 22 2.214 1.018 0.314 1.00 8.20 C ATOM 193 CD1 LEU A 22 3.530 0.420 0.754 1.00 9.10 C ATOM 194 CD2 LEU A 22 2.070 1.051 -1.178 1.00 14.39 C ATOM 195 H LEU A 22 0.283 2.535 2.074 1.00 0.00 H ATOM 196 N GLY A 23 -2.170 0.571 2.351 1.00 6.56 N ATOM 197 CA GLY A 23 -3.271 -0.134 2.950 1.00 6.55 C ATOM 198 C GLY A 23 -3.025 -0.524 4.393 1.00 5.69 C ATOM 199 O GLY A 23 -1.894 -0.500 4.892 1.00 6.78 O ATOM 200 H GLY A 23 -1.945 1.526 2.696 1.00 0.00 H ATOM 201 N THR A 24 -4.096 -0.920 5.039 1.00 5.41 N ATOM 202 CA THR A 24 -4.049 -1.442 6.371 1.00 5.29 C ATOM 203 C THR A 24 -3.704 -2.932 6.334 1.00 4.95 C ATOM 204 O THR A 24 -4.406 -3.678 5.624 1.00 6.30 O ATOM 205 CB THR A 24 -5.379 -1.219 7.113 1.00 6.25 C ATOM 206 OG1 THR A 24 -5.802 0.179 6.970 1.00 8.74 O ATOM 207 CG2 THR A 24 -5.253 -1.464 8.605 1.00 8.35 C ATOM 208 HG1 THR A 24 -6.657 0.314 7.450 1.00 0.00 H ATOM 209 H THR A 24 -5.018 -0.852 4.563 1.00 0.00 H ATOM 210 N HIS A 25 -2.689 -3.351 7.056 1.00 4.60 N ATOM 211 CA HIS A 25 -2.161 -4.699 7.002 1.00 5.08 C ATOM 212 C HIS A 25 -2.116 -5.343 8.377 1.00 4.34 C ATOM 213 O HIS A 25 -2.017 -4.647 9.398 1.00 5.13 O ATOM 214 CB HIS A 25 -0.720 -4.699 6.471 1.00 5.48 C ATOM 215 CG HIS A 25 -0.570 -4.389 5.026 1.00 5.41 C ATOM 216 ND1 HIS A 25 -0.736 -3.148 4.452 1.00 6.09 N ATOM 217 CD2 HIS A 25 -0.297 -5.219 3.994 1.00 5.96 C ATOM 218 CE1 HIS A 25 -0.552 -3.284 3.130 1.00 6.38 C ATOM 219 NE2 HIS A 25 -0.286 -4.540 2.820 1.00 7.29 N ATOM 220 H HIS A 25 -2.238 -2.675 7.705 1.00 0.00 H ATOM 221 N ASP A 26 -2.101 -6.667 8.387 1.00 5.07 N ATOM 222 CA ASP A 26 -1.643 -7.417 9.542 1.00 5.12 C ATOM 223 C ASP A 26 -0.112 -7.395 9.605 1.00 5.11 C ATOM 224 O ASP A 26 0.564 -6.688 8.844 1.00 5.54 O ATOM 225 CB ASP A 26 -2.250 -8.828 9.549 1.00 5.85 C ATOM 226 CG ASP A 26 -1.614 -9.800 8.564 1.00 5.67 C ATOM 227 OD1 ASP A 26 -0.673 -9.475 7.858 1.00 6.17 O ATOM 228 OD2 ASP A 26 -2.168 -10.969 8.564 1.00 6.54 O ATOM 229 H ASP A 26 -2.426 -7.183 7.545 1.00 0.00 H ATOM 230 N LYS A 27 0.436 -8.200 10.522 1.00 5.58 N ATOM 231 CA LYS A 27 1.854 -8.153 10.802 1.00 5.84 C ATOM 232 C LYS A 27 2.751 -8.556 9.625 1.00 5.78 C ATOM 233 O LYS A 27 3.962 -8.332 9.689 1.00 6.66 O ATOM 234 CB LYS A 27 2.175 -9.076 12.009 1.00 6.76 C ATOM 235 CG LYS A 27 1.958 -10.551 11.735 1.00 7.08 C ATOM 236 CD LYS A 27 2.281 -11.386 12.962 1.00 8.26 C ATOM 237 CE LYS A 27 1.972 -12.823 12.796 1.00 13.68 C ATOM 238 NZ LYS A 27 2.284 -13.551 14.076 1.00 14.67 N ATOM 239 HZ1 LYS A 27 3.292 -13.435 14.302 1.00 0.00 H ATOM 240 HZ2 LYS A 27 1.707 -13.157 14.847 1.00 0.00 H ATOM 241 HZ3 LYS A 27 2.067 -14.562 13.960 1.00 0.00 H ATOM 242 H LYS A 27 -0.167 -8.870 11.041 1.00 0.00 H ATOM 243 N ARG A 28 2.156 -9.167 8.579 1.00 5.96 N ATOM 244 CA ARG A 28 2.939 -9.652 7.449 1.00 6.22 C ATOM 245 C ARG A 28 3.144 -8.607 6.353 1.00 5.61 C ATOM 246 O ARG A 28 3.697 -8.921 5.296 1.00 6.30 O ATOM 247 CB ARG A 28 2.299 -10.904 6.863 1.00 7.46 C ATOM 248 CG ARG A 28 2.244 -12.022 7.902 1.00 9.32 C ATOM 249 CD ARG A 28 1.023 -12.550 8.184 1.00 18.36 C ATOM 250 NE ARG A 28 1.031 -13.678 9.095 1.00 17.30 N ATOM 251 CZ ARG A 28 -0.083 -14.146 9.649 1.00 12.86 C ATOM 252 NH1 ARG A 28 -0.031 -15.218 10.437 1.00 15.68 N ATOM 253 NH2 ARG A 28 -1.191 -13.554 9.328 1.00 9.70 N ATOM 254 HE ARG A 28 1.937 -14.135 9.322 1.00 0.00 H ATOM 255 HH12 ARG A 28 -0.901 -15.586 10.872 1.00 0.00 H ATOM 256 HH11 ARG A 28 0.880 -15.687 10.618 1.00 0.00 H ATOM 257 HH22 ARG A 28 -2.091 -13.881 9.733 1.00 0.00 H ATOM 258 HH21 ARG A 28 -1.179 -12.753 8.665 1.00 0.00 H ATOM 259 H ARG A 28 1.124 -9.294 8.579 1.00 0.00 H ATOM 260 N PHE A 29 2.819 -7.318 6.613 1.00 5.67 N ATOM 261 CA PHE A 29 3.121 -6.241 5.680 1.00 5.79 C ATOM 262 C PHE A 29 4.468 -6.475 5.023 1.00 4.98 C ATOM 263 O PHE A 29 5.497 -6.566 5.693 1.00 6.59 O ATOM 264 CB PHE A 29 3.176 -4.919 6.442 1.00 6.98 C ATOM 265 CG PHE A 29 3.647 -3.761 5.599 1.00 6.47 C ATOM 266 CD1 PHE A 29 2.971 -3.404 4.443 1.00 7.45 C ATOM 267 CD2 PHE A 29 4.734 -3.045 5.996 1.00 7.40 C ATOM 268 CE1 PHE A 29 3.453 -2.351 3.637 1.00 7.77 C ATOM 269 CE2 PHE A 29 5.221 -1.955 5.199 1.00 9.31 C ATOM 270 CZ PHE A 29 4.555 -1.662 4.041 1.00 8.37 C ATOM 271 H PHE A 29 2.339 -7.090 7.507 1.00 0.00 H ATOM 272 N PRO A 30 4.518 -6.528 3.674 1.00 6.23 N ATOM 273 CA PRO A 30 5.756 -6.968 3.042 1.00 8.45 C ATOM 274 C PRO A 30 6.831 -5.944 2.893 1.00 7.54 C ATOM 275 O PRO A 30 7.999 -6.305 2.739 1.00 9.29 O ATOM 276 CB PRO A 30 5.327 -7.486 1.660 1.00 14.01 C ATOM 277 CG PRO A 30 4.078 -7.103 1.489 1.00 16.52 C ATOM 278 CD PRO A 30 3.395 -6.657 2.753 1.00 7.56 C ATOM 279 N GLY A 31 6.491 -4.642 3.013 1.00 7.73 N ATOM 280 CA GLY A 31 7.498 -3.586 2.904 1.00 7.60 C ATOM 281 C GLY A 31 7.274 -2.690 1.722 1.00 6.22 C ATOM 282 O GLY A 31 6.212 -2.634 1.100 1.00 7.75 O ATOM 283 H GLY A 31 5.498 -4.386 3.186 1.00 0.00 H ATOM 284 N PHE A 32 8.324 -1.922 1.462 1.00 5.86 N ATOM 285 CA PHE A 32 8.377 -0.874 0.434 1.00 6.31 C ATOM 286 C PHE A 32 9.243 -1.433 -0.690 1.00 6.33 C ATOM 287 O PHE A 32 10.425 -1.647 -0.523 1.00 7.16 O ATOM 288 CB PHE A 32 8.932 0.397 1.066 1.00 6.45 C ATOM 289 CG PHE A 32 8.123 0.838 2.242 1.00 6.04 C ATOM 290 CD1 PHE A 32 6.895 1.464 2.027 1.00 6.19 C ATOM 291 CD2 PHE A 32 8.517 0.617 3.578 1.00 6.64 C ATOM 292 CE1 PHE A 32 6.108 1.866 3.104 1.00 6.46 C ATOM 293 CE2 PHE A 32 7.731 1.027 4.628 1.00 6.47 C ATOM 294 CZ PHE A 32 6.514 1.675 4.411 1.00 6.76 C ATOM 295 H PHE A 32 9.180 -2.074 2.033 1.00 0.00 H ATOM 296 N LEU A 33 8.562 -1.788 -1.807 1.00 6.78 N ATOM 297 CA LEU A 33 9.145 -2.793 -2.747 1.00 6.55 C ATOM 298 C LEU A 33 9.466 -2.302 -4.132 1.00 6.72 C ATOM 299 O LEU A 33 10.175 -2.982 -4.880 1.00 7.46 O ATOM 300 CB LEU A 33 8.171 -3.995 -2.815 1.00 7.83 C ATOM 301 CG LEU A 33 7.969 -4.700 -1.455 1.00 8.51 C ATOM 302 CD1 LEU A 33 7.039 -5.910 -1.663 1.00 11.67 C ATOM 303 CD2 LEU A 33 9.253 -5.092 -0.762 1.00 9.65 C ATOM 304 H LEU A 33 7.635 -1.362 -2.010 1.00 0.00 H ATOM 305 N ALA A 34 8.932 -1.131 -4.529 1.00 7.61 N ATOM 306 CA ALA A 34 9.198 -0.609 -5.846 1.00 8.57 C ATOM 307 C ALA A 34 8.948 0.898 -5.866 1.00 9.48 C ATOM 308 O ALA A 34 8.116 1.405 -5.157 1.00 11.53 O ATOM 309 CB ALA A 34 8.315 -1.269 -6.908 1.00 11.60 C ATOM 310 H ALA A 34 8.321 -0.598 -3.878 1.00 0.00 H ATOM 311 N GLY A 35 9.687 1.557 -6.795 1.00 9.92 N ATOM 312 CA GLY A 35 9.516 2.960 -7.103 1.00 10.35 C ATOM 313 C GLY A 35 9.988 3.951 -6.117 1.00 9.26 C ATOM 314 O GLY A 35 10.519 3.650 -5.100 1.00 12.94 O ATOM 315 H GLY A 35 10.415 1.025 -7.313 1.00 0.00 H ATOM 316 N ASN A 36 9.788 5.230 -6.429 1.00 9.58 N ATOM 317 CA ASN A 36 10.366 6.369 -5.740 1.00 9.79 C ATOM 318 C ASN A 36 9.295 7.351 -5.199 1.00 8.16 C ATOM 319 O ASN A 36 9.637 8.504 -4.989 1.00 9.69 O ATOM 320 CB ASN A 36 11.264 7.133 -6.787 1.00 16.12 C ATOM 321 CG ASN A 36 10.303 8.032 -7.799 1.00 32.07 C ATOM 322 OD1 ASN A 36 9.007 7.950 -7.924 1.00 80.81 O ATOM 323 ND2 ASN A 36 11.066 8.881 -8.612 1.00 70.93 N ATOM 324 HD22 ASN A 36 12.098 8.927 -8.491 1.00 0.00 H ATOM 325 HD21 ASN A 36 10.600 9.465 -9.336 1.00 0.00 H ATOM 326 H ASN A 36 9.164 5.430 -7.236 1.00 0.00 H ATOM 327 N LYS A 37 8.089 6.872 -4.916 1.00 8.17 N ATOM 328 CA LYS A 37 7.070 7.708 -4.326 1.00 7.85 C ATOM 329 C LYS A 37 7.051 7.564 -2.810 1.00 7.06 C ATOM 330 O LYS A 37 7.289 6.446 -2.297 1.00 7.75 O ATOM 331 CB LYS A 37 5.758 7.334 -4.968 1.00 9.44 C ATOM 332 CG LYS A 37 4.634 8.284 -4.698 1.00 9.07 C ATOM 333 CD LYS A 37 3.456 7.951 -5.691 1.00 40.49 C ATOM 334 CE LYS A 37 2.082 8.836 -5.086 1.00 40.01 C ATOM 335 NZ LYS A 37 2.056 10.182 -5.730 1.00 45.52 N ATOM 336 HZ1 LYS A 37 2.933 10.692 -5.501 1.00 0.00 H ATOM 337 HZ2 LYS A 37 1.978 10.070 -6.761 1.00 0.00 H ATOM 338 HZ3 LYS A 37 1.239 10.719 -5.375 1.00 0.00 H ATOM 339 H LYS A 37 7.874 5.876 -5.123 1.00 0.00 H ATOM 340 N LEU A 38 6.769 8.639 -2.069 1.00 6.63 N ATOM 341 CA LEU A 38 6.504 8.542 -0.674 1.00 6.15 C ATOM 342 C LEU A 38 5.497 7.415 -0.409 1.00 5.48 C ATOM 343 O LEU A 38 4.525 7.310 -1.178 1.00 6.28 O ATOM 344 CB LEU A 38 5.957 9.881 -0.253 1.00 9.33 C ATOM 345 CG LEU A 38 5.932 10.210 1.159 1.00 10.57 C ATOM 346 CD1 LEU A 38 7.461 10.481 1.613 1.00 12.15 C ATOM 347 CD2 LEU A 38 5.268 11.624 1.357 1.00 13.54 C ATOM 348 H LEU A 38 6.742 9.574 -2.524 1.00 0.00 H ATOM 349 N ALA A 39 5.667 6.668 0.678 1.00 5.65 N ATOM 350 CA ALA A 39 4.776 5.524 0.915 1.00 5.61 C ATOM 351 C ALA A 39 4.573 5.336 2.387 1.00 5.03 C ATOM 352 O ALA A 39 5.425 5.691 3.210 1.00 6.08 O ATOM 353 CB ALA A 39 5.384 4.252 0.279 1.00 6.72 C ATOM 354 H ALA A 39 6.424 6.892 1.355 1.00 0.00 H ATOM 355 N CYS A 40 3.426 4.727 2.748 1.00 5.45 N ATOM 356 CA CYS A 40 3.155 4.465 4.126 1.00 5.59 C ATOM 357 C CYS A 40 2.142 3.329 4.257 1.00 4.69 C ATOM 358 O CYS A 40 1.499 2.923 3.279 1.00 5.43 O ATOM 359 CB CYS A 40 2.678 5.729 4.883 1.00 5.98 C ATOM 360 SG CYS A 40 1.167 6.451 4.242 1.00 6.87 S ATOM 361 H CYS A 40 2.736 4.447 2.021 1.00 0.00 H ATOM 362 N ALA A 41 2.002 2.826 5.484 1.00 5.07 N ATOM 363 CA ALA A 41 1.095 1.729 5.775 1.00 4.95 C ATOM 364 C ALA A 41 0.744 1.788 7.257 1.00 4.49 C ATOM 365 O ALA A 41 1.494 2.342 8.067 1.00 5.22 O ATOM 366 CB ALA A 41 1.706 0.370 5.426 1.00 6.40 C ATOM 367 H ALA A 41 2.562 3.233 6.260 1.00 0.00 H ATOM 368 N ILE A 42 -0.405 1.166 7.623 1.00 4.47 N ATOM 369 CA ILE A 42 -0.730 0.882 8.993 1.00 5.12 C ATOM 370 C ILE A 42 -0.653 -0.641 9.138 1.00 4.50 C ATOM 371 O ILE A 42 -1.146 -1.358 8.246 1.00 5.95 O ATOM 372 CB ILE A 42 -2.076 1.469 9.422 1.00 5.99 C ATOM 373 CG1 ILE A 42 -1.943 3.017 9.466 1.00 6.94 C ATOM 374 CG2 ILE A 42 -2.485 0.925 10.775 1.00 7.69 C ATOM 375 CD1 ILE A 42 -3.262 3.756 9.703 1.00 9.54 C ATOM 376 H ILE A 42 -1.077 0.883 6.882 1.00 0.00 H ATOM 377 N VAL A 43 -0.002 -1.119 10.208 1.00 4.39 N ATOM 378 CA VAL A 43 0.384 -2.509 10.339 1.00 4.83 C ATOM 379 C VAL A 43 0.092 -2.983 11.719 1.00 4.61 C ATOM 380 O VAL A 43 0.513 -2.371 12.717 1.00 5.13 O ATOM 381 CB VAL A 43 1.946 -2.655 10.039 1.00 5.08 C ATOM 382 CG1 VAL A 43 2.378 -4.079 10.272 1.00 5.98 C ATOM 383 CG2 VAL A 43 2.226 -2.164 8.644 1.00 5.89 C ATOM 384 H VAL A 43 0.237 -0.462 10.978 1.00 0.00 H ATOM 385 N ASN A 44 -0.667 -4.088 11.827 1.00 4.45 N ATOM 386 CA ASN A 44 -0.950 -4.684 13.121 1.00 4.70 C ATOM 387 C ASN A 44 0.250 -5.470 13.629 1.00 4.89 C ATOM 388 O ASN A 44 0.985 -6.061 12.854 1.00 5.28 O ATOM 389 CB ASN A 44 -2.182 -5.614 13.018 1.00 5.04 C ATOM 390 CG ASN A 44 -2.996 -5.674 14.252 1.00 5.03 C ATOM 391 OD1 ASN A 44 -2.694 -6.430 15.209 1.00 5.62 O ATOM 392 ND2 ASN A 44 -4.074 -4.889 14.292 1.00 6.23 N ATOM 393 HD22 ASN A 44 -4.299 -4.273 13.485 1.00 0.00 H ATOM 394 HD21 ASN A 44 -4.689 -4.893 15.131 1.00 0.00 H ATOM 395 H ASN A 44 -1.059 -4.524 10.968 1.00 0.00 H ATOM 396 N THR A 45 0.344 -5.578 14.961 1.00 4.92 N ATOM 397 CA THR A 45 1.349 -6.463 15.538 1.00 5.06 C ATOM 398 C THR A 45 0.995 -7.944 15.386 1.00 5.35 C ATOM 399 O THR A 45 1.895 -8.769 15.560 1.00 6.29 O ATOM 400 CB THR A 45 1.558 -6.138 17.025 1.00 5.90 C ATOM 401 OG1 THR A 45 0.295 -6.248 17.722 1.00 5.93 O ATOM 402 CG2 THR A 45 2.125 -4.768 17.229 1.00 6.39 C ATOM 403 HG1 THR A 45 -0.052 -7.171 17.630 1.00 0.00 H ATOM 404 H THR A 45 -0.294 -5.036 15.578 1.00 0.00 H ATOM 405 N ALA A 46 -0.259 -8.252 15.102 1.00 5.63 N ATOM 406 CA ALA A 46 -0.743 -9.628 15.051 1.00 6.20 C ATOM 407 C ALA A 46 -1.194 -9.993 13.633 1.00 5.72 C ATOM 408 O ALA A 46 -1.400 -9.151 12.763 1.00 5.66 O ATOM 409 CB ALA A 46 -1.833 -9.834 16.058 1.00 7.74 C ATOM 410 H ALA A 46 -0.929 -7.481 14.907 1.00 0.00 H ATOM 411 N GLY A 47 -1.408 -11.296 13.432 1.00 6.86 N ATOM 412 CA GLY A 47 -1.958 -11.771 12.172 1.00 6.87 C ATOM 413 C GLY A 47 -3.461 -11.519 12.077 1.00 6.39 C ATOM 414 O GLY A 47 -4.176 -11.482 13.064 1.00 6.76 O ATOM 415 H GLY A 47 -1.179 -11.977 14.184 1.00 0.00 H ATOM 416 N ARG A 48 -3.938 -11.407 10.809 1.00 6.76 N ATOM 417 CA ARG A 48 -5.347 -11.121 10.595 1.00 6.64 C ATOM 418 C ARG A 48 -6.289 -12.094 11.341 1.00 6.99 C ATOM 419 O ARG A 48 -7.330 -11.701 11.864 1.00 7.69 O ATOM 420 CB ARG A 48 -5.648 -11.139 9.080 1.00 6.68 C ATOM 421 CG ARG A 48 -7.001 -10.651 8.731 1.00 7.27 C ATOM 422 CD ARG A 48 -7.268 -10.768 7.230 1.00 7.90 C ATOM 423 NE ARG A 48 -8.593 -10.246 6.874 1.00 8.07 N ATOM 424 CZ ARG A 48 -8.859 -8.970 6.663 1.00 7.18 C ATOM 425 NH1 ARG A 48 -7.903 -8.053 6.706 1.00 7.19 N ATOM 426 NH2 ARG A 48 -10.085 -8.595 6.358 1.00 8.78 N ATOM 427 HE ARG A 48 -9.374 -10.926 6.782 1.00 0.00 H ATOM 428 HH12 ARG A 48 -8.134 -7.053 6.537 1.00 0.00 H ATOM 429 HH11 ARG A 48 -6.922 -8.333 6.909 1.00 0.00 H ATOM 430 HH22 ARG A 48 -10.295 -7.590 6.192 1.00 0.00 H ATOM 431 HH21 ARG A 48 -10.842 -9.304 6.284 1.00 0.00 H ATOM 432 H ARG A 48 -3.299 -11.525 9.997 1.00 0.00 H ATOM 433 N GLU A 49 -5.874 -13.378 11.326 1.00 7.48 N ATOM 434 CA GLU A 49 -6.684 -14.453 11.890 1.00 8.69 C ATOM 435 C GLU A 49 -6.948 -14.273 13.370 1.00 8.35 C ATOM 436 O GLU A 49 -7.873 -14.865 13.923 1.00 11.06 O ATOM 437 CB GLU A 49 -5.969 -15.834 11.633 1.00 10.42 C ATOM 438 CG GLU A 49 -4.589 -15.966 12.351 1.00 12.06 C ATOM 439 CD GLU A 49 -3.403 -15.320 11.686 1.00 11.54 C ATOM 440 OE1 GLU A 49 -2.340 -15.411 12.330 1.00 17.20 O ATOM 441 OE2 GLU A 49 -3.518 -14.685 10.555 1.00 10.62 O ATOM 442 H GLU A 49 -4.953 -13.607 10.901 1.00 0.00 H ATOM 443 N THR A 50 -6.126 -13.477 14.072 1.00 7.93 N ATOM 444 CA THR A 50 -6.309 -13.270 15.490 1.00 7.97 C ATOM 445 C THR A 50 -7.434 -12.317 15.853 1.00 7.59 C ATOM 446 O THR A 50 -7.838 -12.270 17.000 1.00 9.13 O ATOM 447 CB THR A 50 -5.039 -12.727 16.186 1.00 8.46 C ATOM 448 OG1 THR A 50 -4.792 -11.372 15.722 1.00 7.96 O ATOM 449 CG2 THR A 50 -3.830 -13.592 15.936 1.00 9.43 C ATOM 450 HG1 THR A 50 -4.660 -11.379 14.741 1.00 0.00 H ATOM 451 H THR A 50 -5.341 -12.999 13.585 1.00 0.00 H ATOM 452 N GLY A 51 -7.868 -11.461 14.878 1.00 7.36 N ATOM 453 CA GLY A 51 -8.733 -10.364 15.161 1.00 8.21 C ATOM 454 C GLY A 51 -8.009 -9.027 15.469 1.00 7.08 C ATOM 455 O GLY A 51 -8.693 -8.008 15.604 1.00 7.96 O ATOM 456 H GLY A 51 -7.556 -11.616 13.898 1.00 0.00 H ATOM 457 N GLY A 52 -6.681 -9.078 15.544 1.00 6.81 N ATOM 458 CA GLY A 52 -5.892 -7.870 15.731 1.00 6.80 C ATOM 459 C GLY A 52 -5.615 -7.577 17.189 1.00 6.23 C ATOM 460 O GLY A 52 -6.375 -7.945 18.111 1.00 7.64 O ATOM 461 H GLY A 52 -6.199 -9.997 15.468 1.00 0.00 H ATOM 462 N VAL A 53 -4.492 -6.890 17.422 1.00 6.03 N ATOM 463 CA VAL A 53 -4.025 -6.578 18.787 1.00 6.38 C ATOM 464 C VAL A 53 -3.614 -5.115 18.942 1.00 5.80 C ATOM 465 O VAL A 53 -4.043 -4.455 19.899 1.00 7.06 O ATOM 466 CB VAL A 53 -2.868 -7.508 19.165 1.00 6.60 C ATOM 467 CG1 VAL A 53 -2.322 -7.148 20.563 1.00 8.10 C ATOM 468 CG2 VAL A 53 -3.375 -8.976 19.193 1.00 8.18 C ATOM 469 H VAL A 53 -3.927 -6.564 16.612 1.00 0.00 H ATOM 470 N HIS A 54 -2.746 -4.599 18.059 1.00 5.66 N ATOM 471 CA HIS A 54 -2.206 -3.256 18.270 1.00 5.31 C ATOM 472 C HIS A 54 -1.813 -2.733 16.919 1.00 4.59 C ATOM 473 O HIS A 54 -1.303 -3.498 16.067 1.00 5.86 O ATOM 474 CB HIS A 54 -0.962 -3.344 19.202 1.00 5.86 C ATOM 475 CG HIS A 54 -0.358 -2.029 19.510 1.00 6.33 C ATOM 476 ND1 HIS A 54 -1.021 -0.987 20.076 1.00 7.52 N ATOM 477 CD2 HIS A 54 0.945 -1.616 19.296 1.00 7.05 C ATOM 478 CE1 HIS A 54 -0.156 -0.001 20.229 1.00 7.91 C ATOM 479 NE2 HIS A 54 1.047 -0.342 19.754 1.00 6.94 N ATOM 480 H HIS A 54 -2.458 -5.152 17.227 1.00 0.00 H ATOM 481 N TRP A 55 -1.976 -1.441 16.670 1.00 4.99 N ATOM 482 CA TRP A 55 -1.703 -0.790 15.397 1.00 4.82 C ATOM 483 C TRP A 55 -0.420 0.045 15.498 1.00 4.97 C ATOM 484 O TRP A 55 -0.257 0.845 16.414 1.00 5.13 O ATOM 485 CB TRP A 55 -2.805 0.112 14.943 1.00 5.01 C ATOM 486 CG TRP A 55 -4.087 -0.578 14.613 1.00 4.83 C ATOM 487 CD1 TRP A 55 -5.321 -0.438 15.250 1.00 5.40 C ATOM 488 CD2 TRP A 55 -4.346 -1.476 13.513 1.00 4.72 C ATOM 489 NE1 TRP A 55 -6.285 -1.153 14.602 1.00 5.21 N ATOM 490 CE2 TRP A 55 -5.731 -1.788 13.533 1.00 4.83 C ATOM 491 CE3 TRP A 55 -3.544 -2.001 12.490 1.00 5.31 C ATOM 492 CZ2 TRP A 55 -6.310 -2.607 12.575 1.00 5.46 C ATOM 493 CZ3 TRP A 55 -4.135 -2.825 11.524 1.00 5.89 C ATOM 494 CH2 TRP A 55 -5.505 -3.099 11.591 1.00 5.64 C ATOM 495 HE1 TRP A 55 -7.286 -1.205 14.881 1.00 0.00 H ATOM 496 H TRP A 55 -2.327 -0.845 17.446 1.00 0.00 H ATOM 497 N LEU A 56 0.419 -0.106 14.462 1.00 4.98 N ATOM 498 CA LEU A 56 1.648 0.650 14.204 1.00 5.28 C ATOM 499 C LEU A 56 1.538 1.354 12.853 1.00 4.68 C ATOM 500 O LEU A 56 0.776 0.915 11.980 1.00 5.42 O ATOM 501 CB LEU A 56 2.864 -0.298 14.118 1.00 5.87 C ATOM 502 CG LEU A 56 3.064 -1.239 15.291 1.00 6.10 C ATOM 503 CD1 LEU A 56 4.191 -2.207 14.986 1.00 7.70 C ATOM 504 CD2 LEU A 56 3.295 -0.464 16.584 1.00 6.57 C ATOM 505 H LEU A 56 0.171 -0.839 13.767 1.00 0.00 H ATOM 506 N ALA A 57 2.322 2.409 12.646 1.00 5.03 N ATOM 507 CA ALA A 57 2.445 3.040 11.355 1.00 5.68 C ATOM 508 C ALA A 57 3.840 2.909 10.832 1.00 4.77 C ATOM 509 O ALA A 57 4.822 2.990 11.590 1.00 5.96 O ATOM 510 CB ALA A 57 2.071 4.526 11.401 1.00 6.87 C ATOM 511 H ALA A 57 2.866 2.793 13.445 1.00 0.00 H ATOM 512 N PHE A 58 3.980 2.740 9.505 1.00 4.92 N ATOM 513 CA PHE A 58 5.250 2.784 8.836 1.00 5.53 C ATOM 514 C PHE A 58 5.210 3.823 7.729 1.00 5.15 C ATOM 515 O PHE A 58 4.231 3.914 6.977 1.00 5.72 O ATOM 516 CB PHE A 58 5.613 1.424 8.201 1.00 6.51 C ATOM 517 CG PHE A 58 6.007 0.388 9.202 1.00 6.35 C ATOM 518 CD1 PHE A 58 5.074 -0.405 9.868 1.00 7.31 C ATOM 519 CD2 PHE A 58 7.358 0.193 9.533 1.00 7.56 C ATOM 520 CE1 PHE A 58 5.461 -1.372 10.792 1.00 8.23 C ATOM 521 CE2 PHE A 58 7.725 -0.800 10.445 1.00 7.87 C ATOM 522 CZ PHE A 58 6.786 -1.593 11.041 1.00 7.41 C ATOM 523 H PHE A 58 3.127 2.569 8.936 1.00 0.00 H ATOM 524 N GLY A 59 6.296 4.596 7.597 1.00 6.22 N ATOM 525 CA GLY A 59 6.461 5.510 6.514 1.00 6.86 C ATOM 526 C GLY A 59 7.801 5.271 5.818 1.00 6.17 C ATOM 527 O GLY A 59 8.771 4.817 6.468 1.00 8.24 O ATOM 528 H GLY A 59 7.048 4.527 8.312 1.00 0.00 H ATOM 529 N TRP A 60 7.884 5.558 4.539 1.00 5.53 N ATOM 530 CA TRP A 60 9.081 5.426 3.754 1.00 5.68 C ATOM 531 C TRP A 60 9.332 6.704 2.963 1.00 5.52 C ATOM 532 O TRP A 60 8.451 7.116 2.169 1.00 5.63 O ATOM 533 CB TRP A 60 9.011 4.247 2.799 1.00 6.46 C ATOM 534 CG TRP A 60 10.111 4.147 1.834 1.00 6.67 C ATOM 535 CD1 TRP A 60 10.071 4.414 0.471 1.00 8.38 C ATOM 536 CD2 TRP A 60 11.473 3.811 2.095 1.00 7.78 C ATOM 537 NE1 TRP A 60 11.306 4.259 -0.107 1.00 9.88 N ATOM 538 CE2 TRP A 60 12.199 3.885 0.852 1.00 8.91 C ATOM 539 CE3 TRP A 60 12.180 3.511 3.245 1.00 9.07 C ATOM 540 CZ2 TRP A 60 13.577 3.595 0.779 1.00 11.11 C ATOM 541 CZ3 TRP A 60 13.497 3.177 3.154 1.00 11.59 C ATOM 542 CH2 TRP A 60 14.191 3.215 1.947 1.00 11.95 C ATOM 543 HE1 TRP A 60 11.525 4.403 -1.113 1.00 0.00 H ATOM 544 H TRP A 60 7.027 5.904 4.062 1.00 0.00 H ATOM 545 N ASN A 61 10.475 7.330 3.222 1.00 6.36 N ATOM 546 CA ASN A 61 10.874 8.543 2.498 1.00 6.90 C ATOM 547 C ASN A 61 11.958 8.134 1.536 1.00 7.39 C ATOM 548 O ASN A 61 13.126 7.862 1.943 1.00 8.48 O ATOM 549 CB ASN A 61 11.414 9.573 3.472 1.00 8.77 C ATOM 550 CG ASN A 61 11.806 10.861 2.827 1.00 10.66 C ATOM 551 OD1 ASN A 61 12.105 10.877 1.630 1.00 16.14 O ATOM 552 ND2 ASN A 61 11.820 11.938 3.568 1.00 12.72 N ATOM 553 HD22 ASN A 61 11.561 11.881 4.574 1.00 0.00 H ATOM 554 HD21 ASN A 61 12.090 12.852 3.152 1.00 0.00 H ATOM 555 H ASN A 61 11.104 6.950 3.958 1.00 0.00 H ATOM 556 N PRO A 62 11.655 8.054 0.233 1.00 8.11 N ATOM 557 CA PRO A 62 12.650 7.635 -0.762 1.00 9.38 C ATOM 558 C PRO A 62 13.835 8.603 -0.893 1.00 9.92 C ATOM 559 O PRO A 62 14.944 8.116 -1.278 1.00 14.72 O ATOM 560 CB PRO A 62 11.838 7.630 -2.057 1.00 12.01 C ATOM 561 CG PRO A 62 10.506 7.568 -1.754 1.00 15.09 C ATOM 562 CD PRO A 62 10.348 8.283 -0.393 1.00 9.71 C ATOM 563 N ARG A 63 13.637 9.858 -0.586 1.00 11.14 N ATOM 564 CA ARG A 63 14.764 10.822 -0.770 1.00 12.21 C ATOM 565 C ARG A 63 15.909 10.471 0.161 1.00 12.14 C ATOM 566 O ARG A 63 17.099 10.409 -0.251 1.00 15.31 O ATOM 567 CB ARG A 63 14.281 12.212 -0.704 1.00 13.73 C ATOM 568 CG ARG A 63 15.388 13.212 -1.000 1.00 18.47 C ATOM 569 CD ARG A 63 14.843 14.583 -1.177 1.00 21.95 C ATOM 570 NE ARG A 63 14.307 15.153 0.060 1.00 60.34 N ATOM 571 CZ ARG A 63 14.710 16.340 0.528 1.00 87.79 C ATOM 572 NH1 ARG A 63 14.202 16.833 1.625 1.00 90.43 N ATOM 573 NH2 ARG A 63 15.635 17.063 -0.139 1.00 92.42 N ATOM 574 HE ARG A 63 13.591 14.619 0.592 1.00 0.00 H ATOM 575 HH12 ARG A 63 14.524 17.757 1.978 1.00 0.00 H ATOM 576 HH11 ARG A 63 13.475 16.302 2.146 1.00 0.00 H ATOM 577 HH22 ARG A 63 15.942 17.985 0.233 1.00 0.00 H ATOM 578 HH21 ARG A 63 16.041 16.698 -1.024 1.00 0.00 H ATOM 579 H ARG A 63 12.717 10.178 -0.222 1.00 0.00 H ATOM 580 N SER A 64 15.603 10.252 1.399 1.00 11.63 N ATOM 581 CA SER A 64 16.576 10.028 2.431 1.00 12.13 C ATOM 582 C SER A 64 16.772 8.527 2.700 1.00 10.31 C ATOM 583 O SER A 64 17.644 8.166 3.494 1.00 13.05 O ATOM 584 CB SER A 64 16.202 10.775 3.679 1.00 15.85 C ATOM 585 OG SER A 64 15.003 10.234 4.188 1.00 13.83 O ATOM 586 HG SER A 64 14.747 10.720 5.012 1.00 0.00 H ATOM 587 H SER A 64 14.597 10.237 1.661 1.00 0.00 H ATOM 588 N ARG A 65 16.004 7.675 2.085 1.00 9.74 N ATOM 589 CA ARG A 65 15.986 6.221 2.405 1.00 8.99 C ATOM 590 C ARG A 65 15.801 6.024 3.893 1.00 8.27 C ATOM 591 O ARG A 65 16.518 5.187 4.507 1.00 9.14 O ATOM 592 CB ARG A 65 17.127 5.462 1.758 1.00 12.75 C ATOM 593 CG ARG A 65 16.996 5.519 0.203 1.00 16.70 C ATOM 594 CD ARG A 65 18.089 4.741 -0.497 1.00 22.12 C ATOM 595 NE ARG A 65 19.394 5.376 -0.361 1.00 32.06 N ATOM 596 CZ ARG A 65 20.480 4.924 0.346 1.00 53.59 C ATOM 597 NH1 ARG A 65 21.606 5.624 0.302 1.00 71.56 N ATOM 598 NH2 ARG A 65 20.474 3.810 1.099 1.00 76.19 N ATOM 599 HE ARG A 65 19.517 6.280 -0.860 1.00 0.00 H ATOM 600 HH12 ARG A 65 22.441 5.300 0.830 1.00 0.00 H ATOM 601 HH11 ARG A 65 21.654 6.497 -0.261 1.00 0.00 H ATOM 602 HH22 ARG A 65 21.333 3.523 1.610 1.00 0.00 H ATOM 603 HH21 ARG A 65 19.610 3.235 1.170 1.00 0.00 H ATOM 604 H ARG A 65 15.374 8.026 1.336 1.00 0.00 H ATOM 605 N THR A 66 14.793 6.689 4.434 1.00 7.81 N ATOM 606 CA THR A 66 14.446 6.538 5.834 1.00 7.78 C ATOM 607 C THR A 66 13.103 5.897 5.957 1.00 7.16 C ATOM 608 O THR A 66 12.123 6.320 5.347 1.00 8.42 O ATOM 609 CB THR A 66 14.430 7.881 6.575 1.00 9.55 C ATOM 610 OG1 THR A 66 15.703 8.492 6.448 1.00 11.53 O ATOM 611 CG2 THR A 66 14.120 7.738 8.055 1.00 10.66 C ATOM 612 HG1 THR A 66 15.902 8.641 5.490 1.00 0.00 H ATOM 613 H THR A 66 14.236 7.336 3.840 1.00 0.00 H ATOM 614 N CYS A 67 13.068 4.821 6.761 1.00 7.13 N ATOM 615 CA CYS A 67 11.850 4.202 7.189 1.00 7.15 C ATOM 616 C CYS A 67 11.517 4.661 8.602 1.00 6.54 C ATOM 617 O CYS A 67 12.393 4.586 9.486 1.00 8.42 O ATOM 618 CB CYS A 67 12.004 2.662 7.113 1.00 7.83 C ATOM 619 SG CYS A 67 10.494 1.775 7.672 1.00 9.38 S ATOM 620 H CYS A 67 13.969 4.418 7.088 1.00 0.00 H ATOM 621 N TYR A 68 10.317 5.138 8.812 1.00 6.16 N ATOM 622 CA TYR A 68 9.816 5.484 10.111 1.00 6.86 C ATOM 623 C TYR A 68 8.928 4.366 10.576 1.00 6.56 C ATOM 624 O TYR A 68 8.007 3.921 9.849 1.00 8.36 O ATOM 625 CB TYR A 68 9.002 6.780 10.086 1.00 8.04 C ATOM 626 CG TYR A 68 9.821 7.926 9.602 1.00 8.10 C ATOM 627 CD1 TYR A 68 10.615 8.654 10.523 1.00 8.95 C ATOM 628 CD2 TYR A 68 9.851 8.318 8.254 1.00 9.93 C ATOM 629 CE1 TYR A 68 11.393 9.716 10.140 1.00 10.03 C ATOM 630 CE2 TYR A 68 10.591 9.403 7.839 1.00 11.50 C ATOM 631 CZ TYR A 68 11.408 10.054 8.764 1.00 11.12 C ATOM 632 OH TYR A 68 12.144 11.142 8.371 1.00 13.75 O ATOM 633 HH TYR A 68 12.664 11.483 9.141 1.00 0.00 H ATOM 634 H TYR A 68 9.692 5.274 7.992 1.00 0.00 H ATOM 635 N MET A 69 9.110 3.893 11.814 1.00 6.12 N ATOM 636 CA MET A 69 8.194 2.986 12.483 1.00 6.24 C ATOM 637 C MET A 69 7.642 3.744 13.671 1.00 6.15 C ATOM 638 O MET A 69 8.452 4.157 14.535 1.00 6.65 O ATOM 639 CB MET A 69 8.886 1.669 12.888 1.00 7.37 C ATOM 640 CG MET A 69 7.916 0.624 13.476 1.00 8.20 C ATOM 641 SD MET A 69 7.311 0.922 15.144 1.00 8.13 S ATOM 642 CE MET A 69 8.755 0.579 16.062 1.00 8.71 C ATOM 643 H MET A 69 9.961 4.194 12.330 1.00 0.00 H ATOM 644 N PHE A 70 6.339 4.019 13.678 1.00 5.59 N ATOM 645 CA PHE A 70 5.673 4.709 14.755 1.00 5.68 C ATOM 646 C PHE A 70 4.786 3.743 15.526 1.00 5.14 C ATOM 647 O PHE A 70 3.785 3.258 15.018 1.00 5.91 O ATOM 648 CB PHE A 70 4.837 5.864 14.225 1.00 6.75 C ATOM 649 CG PHE A 70 4.055 6.591 15.275 1.00 7.01 C ATOM 650 CD1 PHE A 70 4.686 7.487 16.110 1.00 8.07 C ATOM 651 CD2 PHE A 70 2.692 6.328 15.457 1.00 7.16 C ATOM 652 CE1 PHE A 70 3.965 8.162 17.099 1.00 9.42 C ATOM 653 CE2 PHE A 70 1.967 6.994 16.446 1.00 9.15 C ATOM 654 CZ PHE A 70 2.595 7.869 17.260 1.00 10.04 C ATOM 655 H PHE A 70 5.770 3.719 12.861 1.00 0.00 H ATOM 656 N ASP A 71 5.162 3.516 16.778 1.00 5.43 N ATOM 657 CA ASP A 71 4.378 2.817 17.762 1.00 5.62 C ATOM 658 C ASP A 71 3.797 3.901 18.669 1.00 5.19 C ATOM 659 O ASP A 71 4.611 4.631 19.296 1.00 5.67 O ATOM 660 CB ASP A 71 5.209 1.870 18.580 1.00 5.87 C ATOM 661 CG ASP A 71 4.498 1.260 19.775 1.00 6.21 C ATOM 662 OD1 ASP A 71 3.240 1.367 19.845 1.00 6.33 O ATOM 663 OD2 ASP A 71 5.206 0.685 20.651 1.00 7.44 O ATOM 664 H ASP A 71 6.095 3.870 17.071 1.00 0.00 H ATOM 665 N PRO A 72 2.495 4.062 18.816 1.00 5.40 N ATOM 666 CA PRO A 72 1.964 5.045 19.766 1.00 6.47 C ATOM 667 C PRO A 72 2.525 4.908 21.180 1.00 6.12 C ATOM 668 O PRO A 72 2.595 5.897 21.899 1.00 6.92 O ATOM 669 CB PRO A 72 0.445 4.850 19.740 1.00 8.11 C ATOM 670 CG PRO A 72 0.193 4.192 18.391 1.00 8.84 C ATOM 671 CD PRO A 72 1.407 3.374 18.071 1.00 6.08 C ATOM 672 N PHE A 73 2.908 3.697 21.587 1.00 5.76 N ATOM 673 CA PHE A 73 3.516 3.479 22.912 1.00 6.38 C ATOM 674 C PHE A 73 5.020 3.720 22.933 1.00 6.31 C ATOM 675 O PHE A 73 5.603 3.807 24.030 1.00 7.21 O ATOM 676 CB PHE A 73 3.255 2.059 23.384 1.00 7.08 C ATOM 677 CG PHE A 73 1.820 1.774 23.741 1.00 6.66 C ATOM 678 CD1 PHE A 73 1.031 2.653 24.548 1.00 7.44 C ATOM 679 CD2 PHE A 73 1.235 0.563 23.331 1.00 8.88 C ATOM 680 CE1 PHE A 73 -0.256 2.326 24.914 1.00 8.82 C ATOM 681 CE2 PHE A 73 -0.081 0.270 23.733 1.00 10.64 C ATOM 682 CZ PHE A 73 -0.797 1.156 24.503 1.00 10.99 C ATOM 683 H PHE A 73 2.774 2.884 20.952 1.00 0.00 H ATOM 684 N GLY A 74 5.682 3.798 21.782 1.00 6.02 N ATOM 685 CA GLY A 74 7.128 3.994 21.761 1.00 7.25 C ATOM 686 C GLY A 74 7.937 2.848 22.300 1.00 6.13 C ATOM 687 O GLY A 74 9.036 3.102 22.821 1.00 7.20 O ATOM 688 H GLY A 74 5.162 3.718 20.885 1.00 0.00 H ATOM 689 N PHE A 75 7.496 1.600 22.132 1.00 6.28 N ATOM 690 CA PHE A 75 8.285 0.465 22.539 1.00 6.59 C ATOM 691 C PHE A 75 9.484 0.238 21.618 1.00 6.59 C ATOM 692 O PHE A 75 9.415 0.397 20.397 1.00 6.92 O ATOM 693 CB PHE A 75 7.464 -0.822 22.569 1.00 6.66 C ATOM 694 CG PHE A 75 6.547 -0.947 23.745 1.00 6.85 C ATOM 695 CD1 PHE A 75 7.073 -1.091 25.056 1.00 7.47 C ATOM 696 CD2 PHE A 75 5.160 -0.928 23.587 1.00 7.70 C ATOM 697 CE1 PHE A 75 6.217 -1.194 26.143 1.00 7.90 C ATOM 698 CE2 PHE A 75 4.336 -1.046 24.724 1.00 8.40 C ATOM 699 CZ PHE A 75 4.839 -1.188 25.971 1.00 8.59 C ATOM 700 H PHE A 75 6.564 1.443 21.698 1.00 0.00 H ATOM 701 N SER A 76 10.570 -0.237 22.212 1.00 7.01 N ATOM 702 CA SER A 76 11.711 -0.671 21.446 1.00 7.70 C ATOM 703 C SER A 76 11.380 -1.923 20.647 1.00 6.78 C ATOM 704 O SER A 76 10.426 -2.622 20.907 1.00 7.12 O ATOM 705 CB SER A 76 12.885 -0.984 22.373 1.00 8.57 C ATOM 706 OG SER A 76 12.562 -2.162 23.127 1.00 8.72 O ATOM 707 HG SER A 76 13.313 -2.380 23.734 1.00 0.00 H ATOM 708 H SER A 76 10.599 -0.298 23.250 1.00 0.00 H ATOM 709 N ASP A 77 12.258 -2.249 19.684 1.00 7.49 N ATOM 710 CA ASP A 77 12.055 -3.470 18.919 1.00 7.63 C ATOM 711 C ASP A 77 12.043 -4.692 19.819 1.00 7.50 C ATOM 712 O ASP A 77 11.264 -5.630 19.612 1.00 8.26 O ATOM 713 CB ASP A 77 13.146 -3.648 17.846 1.00 9.14 C ATOM 714 CG ASP A 77 13.079 -2.611 16.722 1.00 9.09 C ATOM 715 OD1 ASP A 77 12.140 -1.791 16.729 1.00 8.67 O ATOM 716 OD2 ASP A 77 13.954 -2.731 15.831 1.00 12.20 O ATOM 717 H ASP A 77 13.074 -1.635 19.487 1.00 0.00 H ATOM 718 N ARG A 78 12.946 -4.731 20.812 1.00 8.00 N ATOM 719 CA ARG A 78 12.998 -5.859 21.730 1.00 8.43 C ATOM 720 C ARG A 78 11.689 -5.993 22.481 1.00 7.35 C ATOM 721 O ARG A 78 11.200 -7.117 22.704 1.00 8.22 O ATOM 722 CB ARG A 78 14.168 -5.687 22.720 1.00 12.48 C ATOM 723 CG ARG A 78 14.379 -6.720 23.755 1.00 19.25 C ATOM 724 CD ARG A 78 15.413 -6.250 24.847 1.00 26.00 C ATOM 725 NE ARG A 78 14.970 -5.026 25.580 1.00 48.82 N ATOM 726 CZ ARG A 78 14.212 -5.050 26.685 1.00 49.16 C ATOM 727 NH1 ARG A 78 13.877 -6.239 27.205 1.00 51.22 N ATOM 728 NH2 ARG A 78 13.772 -3.898 27.271 1.00 66.56 N ATOM 729 HE ARG A 78 15.267 -4.100 25.211 1.00 0.00 H ATOM 730 HH12 ARG A 78 13.290 -6.285 28.062 1.00 0.00 H ATOM 731 HH11 ARG A 78 14.204 -7.116 26.751 1.00 0.00 H ATOM 732 HH22 ARG A 78 13.185 -3.942 28.128 1.00 0.00 H ATOM 733 HH21 ARG A 78 14.024 -2.976 26.860 1.00 0.00 H ATOM 734 H ARG A 78 13.617 -3.945 20.927 1.00 0.00 H ATOM 735 N ARG A 79 11.120 -4.886 22.930 1.00 7.60 N ATOM 736 CA ARG A 79 9.840 -4.939 23.653 1.00 6.86 C ATOM 737 C ARG A 79 8.673 -5.241 22.744 1.00 6.68 C ATOM 738 O ARG A 79 7.731 -5.914 23.197 1.00 7.14 O ATOM 739 CB ARG A 79 9.649 -3.658 24.452 1.00 7.02 C ATOM 740 CG ARG A 79 10.595 -3.556 25.640 1.00 8.95 C ATOM 741 CD ARG A 79 10.116 -4.401 26.829 1.00 9.34 C ATOM 742 NE ARG A 79 9.107 -3.662 27.603 1.00 8.97 N ATOM 743 CZ ARG A 79 8.302 -4.246 28.517 1.00 9.25 C ATOM 744 NH1 ARG A 79 8.260 -5.571 28.652 1.00 9.66 N ATOM 745 NH2 ARG A 79 7.517 -3.469 29.276 1.00 10.78 N ATOM 746 HE ARG A 79 9.009 -2.640 27.439 1.00 0.00 H ATOM 747 HH12 ARG A 79 7.634 -6.002 29.362 1.00 0.00 H ATOM 748 HH11 ARG A 79 8.854 -6.174 28.048 1.00 0.00 H ATOM 749 HH22 ARG A 79 6.890 -3.899 29.986 1.00 0.00 H ATOM 750 HH21 ARG A 79 7.535 -2.436 29.155 1.00 0.00 H ATOM 751 H ARG A 79 11.583 -3.968 22.770 1.00 0.00 H ATOM 752 N LEU A 80 8.664 -4.783 21.493 1.00 6.56 N ATOM 753 CA LEU A 80 7.601 -5.205 20.571 1.00 6.67 C ATOM 754 C LEU A 80 7.646 -6.703 20.344 1.00 6.69 C ATOM 755 O LEU A 80 6.608 -7.350 20.270 1.00 7.11 O ATOM 756 CB LEU A 80 7.730 -4.465 19.231 1.00 7.26 C ATOM 757 CG LEU A 80 7.357 -2.960 19.280 1.00 7.65 C ATOM 758 CD1 LEU A 80 7.738 -2.314 17.947 1.00 10.07 C ATOM 759 CD2 LEU A 80 5.904 -2.726 19.628 1.00 8.31 C ATOM 760 H LEU A 80 9.406 -4.130 21.171 1.00 0.00 H ATOM 761 N LYS A 81 8.845 -7.271 20.237 1.00 6.93 N ATOM 762 CA LYS A 81 8.963 -8.710 20.084 1.00 7.88 C ATOM 763 C LYS A 81 8.451 -9.434 21.357 1.00 7.55 C ATOM 764 O LYS A 81 7.671 -10.396 21.278 1.00 8.61 O ATOM 765 CB LYS A 81 10.433 -9.095 19.789 1.00 9.22 C ATOM 766 CG LYS A 81 10.646 -10.612 19.696 1.00 11.71 C ATOM 767 CD LYS A 81 12.122 -10.964 19.477 1.00 15.73 C ATOM 768 CE LYS A 81 12.288 -12.478 19.369 1.00 20.50 C ATOM 769 NZ LYS A 81 13.749 -12.826 19.314 1.00 27.01 N ATOM 770 HZ1 LYS A 81 14.181 -12.372 18.484 1.00 0.00 H ATOM 771 HZ2 LYS A 81 14.217 -12.489 20.179 1.00 0.00 H ATOM 772 HZ3 LYS A 81 13.856 -13.858 19.241 1.00 0.00 H ATOM 773 H LYS A 81 9.701 -6.681 20.263 1.00 0.00 H ATOM 774 N GLN A 82 8.902 -8.943 22.510 1.00 7.41 N ATOM 775 CA GLN A 82 8.524 -9.615 23.773 1.00 8.12 C ATOM 776 C GLN A 82 7.019 -9.521 24.018 1.00 7.65 C ATOM 777 O GLN A 82 6.382 -10.523 24.368 1.00 8.76 O ATOM 778 CB GLN A 82 9.322 -8.958 24.902 1.00 8.07 C ATOM 779 CG GLN A 82 8.946 -9.537 26.268 1.00 8.62 C ATOM 780 CD GLN A 82 9.805 -8.953 27.335 1.00 9.13 C ATOM 781 OE1 GLN A 82 10.603 -9.777 27.986 1.00 15.50 O ATOM 782 NE2 GLN A 82 9.818 -7.747 27.552 1.00 10.57 N ATOM 783 HE22 GLN A 82 9.179 -7.117 27.026 1.00 0.00 H ATOM 784 HE21 GLN A 82 10.468 -7.353 28.262 1.00 0.00 H ATOM 785 H GLN A 82 9.511 -8.100 22.522 1.00 0.00 H ATOM 786 N ILE A 83 6.488 -8.300 23.969 1.00 7.05 N ATOM 787 CA ILE A 83 5.092 -8.089 24.362 1.00 7.29 C ATOM 788 C ILE A 83 4.109 -8.569 23.315 1.00 6.72 C ATOM 789 O ILE A 83 3.093 -9.212 23.616 1.00 7.31 O ATOM 790 CB ILE A 83 4.828 -6.617 24.695 1.00 7.51 C ATOM 791 CG1 ILE A 83 5.693 -6.105 25.828 1.00 7.76 C ATOM 792 CG2 ILE A 83 3.360 -6.379 24.989 1.00 9.29 C ATOM 793 CD1 ILE A 83 5.717 -4.604 25.928 1.00 8.91 C ATOM 794 H ILE A 83 7.065 -7.495 23.651 1.00 0.00 H ATOM 795 N TYR A 84 4.401 -8.206 22.056 1.00 7.67 N ATOM 796 CA TYR A 84 3.465 -8.353 20.948 1.00 8.53 C ATOM 797 C TYR A 84 3.823 -9.446 19.983 1.00 8.29 C ATOM 798 O TYR A 84 3.093 -9.699 18.999 1.00 9.07 O ATOM 799 CB TYR A 84 3.286 -6.990 20.221 1.00 8.79 C ATOM 800 CG TYR A 84 2.678 -5.922 21.038 1.00 8.27 C ATOM 801 CD1 TYR A 84 1.305 -5.904 21.283 1.00 7.85 C ATOM 802 CD2 TYR A 84 3.448 -4.947 21.652 1.00 9.96 C ATOM 803 CE1 TYR A 84 0.734 -4.948 22.072 1.00 8.38 C ATOM 804 CE2 TYR A 84 2.911 -3.975 22.457 1.00 10.62 C ATOM 805 CZ TYR A 84 1.532 -3.983 22.707 1.00 9.52 C ATOM 806 OH TYR A 84 1.013 -3.028 23.542 1.00 11.50 O ATOM 807 HH TYR A 84 0.035 -3.158 23.623 1.00 0.00 H ATOM 808 H TYR A 84 5.339 -7.801 21.862 1.00 0.00 H ATOM 809 N SER A 85 4.955 -10.166 20.228 1.00 8.77 N ATOM 810 CA SER A 85 5.382 -11.197 19.327 1.00 9.94 C ATOM 811 C SER A 85 5.521 -10.646 17.877 1.00 8.70 C ATOM 812 O SER A 85 5.141 -11.347 16.936 1.00 11.42 O ATOM 813 CB SER A 85 4.420 -12.423 19.374 1.00 13.87 C ATOM 814 OG SER A 85 4.202 -12.807 20.758 1.00 21.51 O ATOM 815 HG SER A 85 3.591 -13.586 20.791 1.00 0.00 H ATOM 816 H SER A 85 5.516 -9.965 21.080 1.00 0.00 H ATOM 817 N PHE A 86 5.998 -9.395 17.783 1.00 7.79 N ATOM 818 CA PHE A 86 6.064 -8.711 16.509 1.00 7.72 C ATOM 819 C PHE A 86 7.511 -8.354 16.177 1.00 7.37 C ATOM 820 O PHE A 86 8.157 -7.673 16.975 1.00 8.04 O ATOM 821 CB PHE A 86 5.221 -7.430 16.545 1.00 7.76 C ATOM 822 CG PHE A 86 5.329 -6.631 15.262 1.00 7.22 C ATOM 823 CD1 PHE A 86 4.670 -7.071 14.122 1.00 7.08 C ATOM 824 CD2 PHE A 86 6.090 -5.478 15.196 1.00 7.63 C ATOM 825 CE1 PHE A 86 4.734 -6.317 12.950 1.00 7.16 C ATOM 826 CE2 PHE A 86 6.175 -4.735 14.037 1.00 7.42 C ATOM 827 CZ PHE A 86 5.514 -5.149 12.890 1.00 6.84 C ATOM 828 H PHE A 86 6.326 -8.908 18.641 1.00 0.00 H ATOM 829 N GLU A 87 7.960 -8.757 15.000 1.00 7.98 N ATOM 830 CA GLU A 87 9.249 -8.378 14.459 1.00 8.46 C ATOM 831 C GLU A 87 9.064 -7.868 13.048 1.00 7.96 C ATOM 832 O GLU A 87 8.166 -8.361 12.315 1.00 9.73 O ATOM 833 CB GLU A 87 10.291 -9.520 14.465 1.00 10.90 C ATOM 834 CG GLU A 87 10.574 -9.941 15.913 1.00 13.73 C ATOM 835 CD GLU A 87 11.549 -11.053 15.932 1.00 17.91 C ATOM 836 OE1 GLU A 87 12.773 -10.739 15.698 1.00 23.37 O ATOM 837 OE2 GLU A 87 11.168 -12.207 16.149 1.00 23.98 O ATOM 838 H GLU A 87 7.353 -9.381 14.431 1.00 0.00 H ATOM 839 N TYR A 88 9.912 -6.978 12.620 1.00 8.60 N ATOM 840 CA TYR A 88 9.795 -6.331 11.290 1.00 9.37 C ATOM 841 C TYR A 88 11.128 -6.207 10.600 1.00 8.69 C ATOM 842 O TYR A 88 11.267 -5.509 9.591 1.00 8.35 O ATOM 843 CB TYR A 88 9.035 -4.982 11.372 1.00 8.95 C ATOM 844 CG TYR A 88 9.720 -3.923 12.154 1.00 8.27 C ATOM 845 CD1 TYR A 88 9.661 -3.916 13.534 1.00 8.55 C ATOM 846 CD2 TYR A 88 10.411 -2.895 11.522 1.00 8.74 C ATOM 847 CE1 TYR A 88 10.260 -2.906 14.272 1.00 9.42 C ATOM 848 CE2 TYR A 88 11.007 -1.899 12.225 1.00 8.97 C ATOM 849 CZ TYR A 88 10.941 -1.886 13.633 1.00 8.93 C ATOM 850 OH TYR A 88 11.535 -0.859 14.296 1.00 10.77 O ATOM 851 HH TYR A 88 11.410 -0.980 15.270 1.00 0.00 H ATOM 852 H TYR A 88 10.705 -6.709 13.237 1.00 0.00 H ATOM 853 N GLU A 89 12.163 -6.921 11.090 1.00 9.79 N ATOM 854 CA GLU A 89 13.444 -6.933 10.412 1.00 10.04 C ATOM 855 C GLU A 89 13.349 -7.508 8.993 1.00 9.27 C ATOM 856 O GLU A 89 14.010 -7.013 8.076 1.00 9.55 O ATOM 857 CB GLU A 89 14.486 -7.739 11.191 1.00 13.47 C ATOM 858 CG GLU A 89 15.208 -6.902 12.246 1.00 20.24 C ATOM 859 CD GLU A 89 16.027 -5.665 11.789 1.00 19.90 C ATOM 860 OE1 GLU A 89 16.870 -5.639 10.859 1.00 26.00 O ATOM 861 OE2 GLU A 89 15.817 -4.709 12.489 1.00 29.84 O ATOM 862 H GLU A 89 12.040 -7.469 11.965 1.00 0.00 H ATOM 863 N ALA A 90 12.505 -8.533 8.811 1.00 9.44 N ATOM 864 CA ALA A 90 12.414 -9.113 7.441 1.00 9.87 C ATOM 865 C ALA A 90 11.872 -8.101 6.443 1.00 7.85 C ATOM 866 O ALA A 90 12.316 -8.051 5.311 1.00 8.01 O ATOM 867 CB ALA A 90 11.609 -10.369 7.498 1.00 11.80 C ATOM 868 H ALA A 90 11.935 -8.909 9.596 1.00 0.00 H ATOM 869 N MET A 91 10.876 -7.319 6.885 1.00 8.60 N ATOM 870 CA MET A 91 10.313 -6.253 6.026 1.00 7.46 C ATOM 871 C MET A 91 11.337 -5.186 5.685 1.00 6.98 C ATOM 872 O MET A 91 11.438 -4.735 4.530 1.00 7.22 O ATOM 873 CB MET A 91 9.163 -5.599 6.849 1.00 9.26 C ATOM 874 CG MET A 91 8.398 -4.595 6.058 1.00 7.72 C ATOM 875 SD MET A 91 9.092 -2.955 6.042 1.00 7.43 S ATOM 876 CE MET A 91 8.721 -2.430 7.719 1.00 10.61 C ATOM 877 H MET A 91 10.495 -7.463 7.842 1.00 0.00 H ATOM 878 N LEU A 92 12.140 -4.819 6.692 1.00 7.26 N ATOM 879 CA LEU A 92 13.197 -3.786 6.435 1.00 7.60 C ATOM 880 C LEU A 92 14.206 -4.323 5.462 1.00 6.91 C ATOM 881 O LEU A 92 14.650 -3.620 4.545 1.00 7.59 O ATOM 882 CB LEU A 92 13.933 -3.392 7.687 1.00 8.83 C ATOM 883 CG LEU A 92 13.124 -2.662 8.753 1.00 8.94 C ATOM 884 CD1 LEU A 92 14.004 -2.336 9.947 1.00 12.20 C ATOM 885 CD2 LEU A 92 12.469 -1.389 8.199 1.00 12.32 C ATOM 886 H LEU A 92 12.033 -5.243 7.636 1.00 0.00 H ATOM 887 N ARG A 93 14.634 -5.592 5.641 1.00 7.50 N ATOM 888 CA ARG A 93 15.620 -6.200 4.734 1.00 7.68 C ATOM 889 C ARG A 93 15.080 -6.218 3.317 1.00 7.78 C ATOM 890 O ARG A 93 15.787 -5.855 2.351 1.00 8.19 O ATOM 891 CB ARG A 93 15.936 -7.595 5.184 1.00 8.25 C ATOM 892 CG ARG A 93 16.915 -8.305 4.287 1.00 8.96 C ATOM 893 CD ARG A 93 17.232 -9.741 4.811 1.00 10.32 C ATOM 894 NE ARG A 93 18.597 -10.171 4.366 1.00 16.62 N ATOM 895 CZ ARG A 93 18.837 -10.774 3.195 1.00 14.98 C ATOM 896 NH1 ARG A 93 17.851 -11.018 2.390 1.00 17.98 N ATOM 897 NH2 ARG A 93 20.042 -11.215 2.854 1.00 20.50 N ATOM 898 HE ARG A 93 19.401 -9.991 5.001 1.00 0.00 H ATOM 899 HH12 ARG A 93 18.028 -11.486 1.478 1.00 0.00 H ATOM 900 HH11 ARG A 93 16.883 -10.746 2.656 1.00 0.00 H ATOM 901 HH22 ARG A 93 20.185 -11.678 1.934 1.00 0.00 H ATOM 902 HH21 ARG A 93 20.843 -11.097 3.507 1.00 0.00 H ATOM 903 H ARG A 93 14.259 -6.150 6.435 1.00 0.00 H ATOM 904 N ARG A 94 13.811 -6.700 3.230 1.00 7.29 N ATOM 905 CA ARG A 94 13.264 -6.725 1.727 1.00 6.65 C ATOM 906 C ARG A 94 13.213 -5.311 1.109 1.00 6.88 C ATOM 907 O ARG A 94 13.612 -5.092 -0.043 1.00 7.73 O ATOM 908 CB ARG A 94 11.816 -7.252 1.818 1.00 8.34 C ATOM 909 CG ARG A 94 11.494 -8.681 2.297 1.00 7.08 C ATOM 910 CD ARG A 94 9.988 -9.212 2.188 1.00 8.52 C ATOM 911 NE ARG A 94 8.995 -8.772 3.225 1.00 6.26 N ATOM 912 CZ ARG A 94 8.850 -9.149 4.432 1.00 5.59 C ATOM 913 NH1 ARG A 94 9.447 -10.260 4.763 1.00 7.53 N ATOM 914 NH2 ARG A 94 8.034 -8.696 5.363 1.00 14.74 N ATOM 915 HE ARG A 94 8.321 -8.046 2.908 1.00 0.00 H ATOM 916 HH12 ARG A 94 9.368 -10.623 5.734 1.00 0.00 H ATOM 917 HH11 ARG A 94 10.002 -10.783 4.056 1.00 0.00 H ATOM 918 HH22 ARG A 94 8.041 -9.121 6.312 1.00 0.00 H ATOM 919 HH21 ARG A 94 7.383 -7.914 5.148 1.00 0.00 H ATOM 920 H ARG A 94 13.257 -7.018 4.051 1.00 0.00 H ATOM 921 N SER A 95 12.818 -4.314 1.952 1.00 6.86 N ATOM 922 CA SER A 95 12.734 -2.971 1.456 1.00 6.62 C ATOM 923 C SER A 95 14.103 -2.419 1.055 1.00 6.81 C ATOM 924 O SER A 95 14.254 -1.827 -0.032 1.00 7.29 O ATOM 925 CB SER A 95 12.146 -2.046 2.519 1.00 7.09 C ATOM 926 OG SER A 95 10.827 -2.477 2.922 1.00 7.08 O ATOM 927 HG SER A 95 10.880 -3.392 3.296 1.00 0.00 H ATOM 928 H SER A 95 12.581 -4.525 2.942 1.00 0.00 H ATOM 929 N ALA A 96 15.102 -2.640 1.905 1.00 6.92 N ATOM 930 CA ALA A 96 16.474 -2.132 1.568 1.00 8.18 C ATOM 931 C ALA A 96 16.989 -2.800 0.323 1.00 7.96 C ATOM 932 O ALA A 96 17.600 -2.145 -0.538 1.00 8.92 O ATOM 933 CB ALA A 96 17.385 -2.449 2.746 1.00 9.07 C ATOM 934 H ALA A 96 14.935 -3.158 2.791 1.00 0.00 H ATOM 935 N LEU A 97 16.792 -4.120 0.181 1.00 7.94 N ATOM 936 CA LEU A 97 17.316 -4.814 -1.009 1.00 8.21 C ATOM 937 C LEU A 97 16.563 -4.417 -2.235 1.00 8.30 C ATOM 938 O LEU A 97 17.143 -4.458 -3.324 1.00 10.80 O ATOM 939 CB LEU A 97 17.304 -6.323 -0.772 1.00 9.37 C ATOM 940 CG LEU A 97 18.436 -6.977 -0.075 1.00 14.99 C ATOM 941 CD1 LEU A 97 18.881 -6.377 1.093 1.00 16.28 C ATOM 942 CD2 LEU A 97 18.244 -8.403 0.235 1.00 14.97 C ATOM 943 H LEU A 97 16.272 -4.651 0.908 1.00 0.00 H ATOM 944 N ALA A 98 15.307 -4.034 -2.141 1.00 7.91 N ATOM 945 CA ALA A 98 14.526 -3.618 -3.293 1.00 8.55 C ATOM 946 C ALA A 98 14.815 -2.227 -3.751 1.00 8.86 C ATOM 947 O ALA A 98 14.805 -1.929 -4.951 1.00 10.68 O ATOM 948 CB ALA A 98 13.054 -3.750 -2.996 1.00 8.86 C ATOM 949 H ALA A 98 14.856 -4.029 -1.204 1.00 0.00 H ATOM 950 N LEU A 99 15.047 -1.300 -2.809 1.00 8.63 N ATOM 951 CA LEU A 99 15.025 0.124 -3.082 1.00 9.44 C ATOM 952 C LEU A 99 16.329 0.844 -2.910 1.00 11.66 C ATOM 953 O LEU A 99 16.479 1.945 -3.456 1.00 14.93 O ATOM 954 CB LEU A 99 13.898 0.820 -2.229 1.00 10.42 C ATOM 955 CG LEU A 99 12.506 0.349 -2.477 1.00 11.70 C ATOM 956 CD1 LEU A 99 11.518 1.130 -1.651 1.00 15.82 C ATOM 957 CD2 LEU A 99 12.134 0.448 -3.971 1.00 12.40 C ATOM 958 H LEU A 99 15.252 -1.617 -1.840 1.00 0.00 H ATOM 959 N SER A 100 17.267 0.312 -2.190 1.00 9.66 N ATOM 960 CA SER A 100 18.478 1.085 -1.835 1.00 11.84 C ATOM 961 C SER A 100 19.653 0.544 -2.591 1.00 15.20 C ATOM 962 O SER A 100 20.020 -0.671 -2.467 1.00 18.01 O ATOM 963 CB SER A 100 18.836 0.920 -0.364 1.00 12.33 C ATOM 964 OG SER A 100 17.825 1.449 0.404 1.00 13.98 O ATOM 965 HG SER A 100 18.051 1.345 1.362 1.00 0.00 H ATOM 966 H SER A 100 17.167 -0.669 -1.858 1.00 0.00 H ATOM 967 N PRO A 101 20.459 1.425 -3.219 1.00 17.53 N ATOM 968 CA PRO A 101 21.561 0.919 -4.091 1.00 22.30 C ATOM 969 C PRO A 101 22.714 0.290 -3.235 1.00 22.86 C ATOM 970 O PRO A 101 23.477 -0.556 -3.724 1.00 30.44 O ATOM 971 CB PRO A 101 22.015 2.182 -4.903 1.00 30.07 C ATOM 972 CG PRO A 101 21.561 3.291 -4.005 1.00 48.59 C ATOM 973 CD PRO A 101 20.355 2.902 -3.233 1.00 23.29 C ATOM 974 N ASP A 102 22.759 0.601 -1.951 1.00 18.18 N ATOM 975 CA ASP A 102 23.793 0.106 -1.082 1.00 17.80 C ATOM 976 C ASP A 102 23.251 -0.935 -0.070 1.00 13.14 C ATOM 977 O ASP A 102 23.964 -1.313 0.841 1.00 14.31 O ATOM 978 CB ASP A 102 24.449 1.333 -0.335 1.00 20.32 C ATOM 979 CG ASP A 102 23.462 2.081 0.616 1.00 24.36 C ATOM 980 OD1 ASP A 102 22.244 1.824 0.670 1.00 20.84 O ATOM 981 OD2 ASP A 102 23.945 2.957 1.409 1.00 28.83 O ATOM 982 H ASP A 102 22.024 1.223 -1.557 1.00 0.00 H ATOM 983 N ARG A 103 22.011 -1.396 -0.254 1.00 12.20 N ATOM 984 CA ARG A 103 21.410 -2.400 0.636 1.00 11.26 C ATOM 985 C ARG A 103 21.261 -1.890 2.095 1.00 9.33 C ATOM 986 O ARG A 103 21.162 -2.695 3.011 1.00 11.14 O ATOM 987 CB ARG A 103 22.095 -3.765 0.620 1.00 15.21 C ATOM 988 CG ARG A 103 22.092 -4.410 -0.784 1.00 17.25 C ATOM 989 CD ARG A 103 23.172 -5.564 -0.810 1.00 22.10 C ATOM 990 NE ARG A 103 22.863 -6.654 0.141 1.00 18.64 N ATOM 991 CZ ARG A 103 22.381 -7.853 -0.175 1.00 17.39 C ATOM 992 NH1 ARG A 103 22.104 -8.203 -1.421 1.00 19.41 N ATOM 993 NH2 ARG A 103 22.080 -8.653 0.808 1.00 15.78 N ATOM 994 HE ARG A 103 23.039 -6.466 1.149 1.00 0.00 H ATOM 995 HH12 ARG A 103 21.728 -9.151 -1.623 1.00 0.00 H ATOM 996 HH11 ARG A 103 22.262 -7.530 -2.198 1.00 0.00 H ATOM 997 HH22 ARG A 103 21.700 -9.601 0.610 1.00 0.00 H ATOM 998 HH21 ARG A 103 22.220 -8.344 1.791 1.00 0.00 H ATOM 999 H ARG A 103 21.453 -1.033 -1.053 1.00 0.00 H ATOM 1000 N CYS A 104 21.192 -0.540 2.232 1.00 10.24 N ATOM 1001 CA CYS A 104 21.036 0.021 3.593 1.00 10.30 C ATOM 1002 C CYS A 104 19.855 0.990 3.591 1.00 10.48 C ATOM 1003 O CYS A 104 19.452 1.585 2.582 1.00 11.52 O ATOM 1004 CB CYS A 104 22.252 0.832 3.989 1.00 13.41 C ATOM 1005 SG CYS A 104 23.841 -0.062 3.903 1.00 13.37 S ATOM 1006 H CYS A 104 21.247 0.084 1.402 1.00 0.00 H ATOM 1007 N LEU A 105 19.356 1.238 4.783 1.00 9.32 N ATOM 1008 CA LEU A 105 18.335 2.259 5.018 1.00 8.03 C ATOM 1009 C LEU A 105 18.552 2.792 6.417 1.00 8.05 C ATOM 1010 O LEU A 105 19.341 2.241 7.195 1.00 9.15 O ATOM 1011 CB LEU A 105 16.877 1.745 4.785 1.00 9.28 C ATOM 1012 CG LEU A 105 16.432 0.506 5.558 1.00 10.07 C ATOM 1013 CD1 LEU A 105 16.229 0.736 7.029 1.00 11.96 C ATOM 1014 CD2 LEU A 105 15.156 -0.043 4.894 1.00 11.52 C ATOM 1015 H LEU A 105 19.702 0.685 5.593 1.00 0.00 H ATOM 1016 N SER A 106 17.888 3.896 6.759 1.00 7.05 N ATOM 1017 CA SER A 106 17.861 4.400 8.108 1.00 7.15 C ATOM 1018 C SER A 106 16.483 4.124 8.696 1.00 6.91 C ATOM 1019 O SER A 106 15.476 4.242 7.990 1.00 9.21 O ATOM 1020 CB SER A 106 18.128 5.893 8.142 1.00 7.99 C ATOM 1021 OG SER A 106 19.409 6.223 7.615 1.00 8.65 O ATOM 1022 HG SER A 106 19.539 7.203 7.657 1.00 0.00 H ATOM 1023 H SER A 106 17.368 4.414 6.022 1.00 0.00 H ATOM 1024 N LEU A 107 16.440 3.691 9.960 1.00 6.91 N ATOM 1025 CA LEU A 107 15.205 3.369 10.663 1.00 6.94 C ATOM 1026 C LEU A 107 15.063 4.348 11.806 1.00 6.53 C ATOM 1027 O LEU A 107 15.936 4.357 12.707 1.00 8.00 O ATOM 1028 CB LEU A 107 15.271 1.950 11.186 1.00 8.75 C ATOM 1029 CG LEU A 107 14.000 1.429 11.842 1.00 13.79 C ATOM 1030 CD1 LEU A 107 13.361 1.959 13.024 1.00 16.15 C ATOM 1031 CD2 LEU A 107 12.735 1.526 11.004 1.00 16.76 C ATOM 1032 H LEU A 107 17.339 3.578 10.471 1.00 0.00 H ATOM 1033 N GLU A 108 14.017 5.139 11.824 1.00 6.27 N ATOM 1034 CA GLU A 108 13.735 6.070 12.925 1.00 6.23 C ATOM 1035 C GLU A 108 12.467 5.610 13.620 1.00 5.61 C ATOM 1036 O GLU A 108 11.453 5.342 12.974 1.00 6.53 O ATOM 1037 CB GLU A 108 13.621 7.508 12.418 1.00 6.65 C ATOM 1038 CG GLU A 108 13.345 8.478 13.553 1.00 8.02 C ATOM 1039 CD GLU A 108 13.529 9.931 13.206 1.00 8.84 C ATOM 1040 OE1 GLU A 108 14.222 10.218 12.232 1.00 12.27 O ATOM 1041 OE2 GLU A 108 12.914 10.794 13.927 1.00 11.43 O ATOM 1042 H GLU A 108 13.356 5.106 11.021 1.00 0.00 H ATOM 1043 N GLN A 109 12.523 5.565 14.949 1.00 6.17 N ATOM 1044 CA GLN A 109 11.379 5.106 15.747 1.00 6.33 C ATOM 1045 C GLN A 109 11.279 5.944 17.032 1.00 6.09 C ATOM 1046 O GLN A 109 12.298 6.518 17.496 1.00 7.17 O ATOM 1047 CB GLN A 109 11.497 3.634 16.088 1.00 6.81 C ATOM 1048 CG GLN A 109 12.575 3.304 17.120 1.00 7.84 C ATOM 1049 CD GLN A 109 12.848 1.830 17.089 1.00 8.14 C ATOM 1050 OE1 GLN A 109 13.888 1.426 16.498 1.00 11.06 O ATOM 1051 NE2 GLN A 109 12.004 1.015 17.661 1.00 8.35 N ATOM 1052 HE22 GLN A 109 11.159 1.391 18.137 1.00 0.00 H ATOM 1053 HE21 GLN A 109 12.176 -0.010 17.641 1.00 0.00 H ATOM 1054 H GLN A 109 13.395 5.861 15.432 1.00 0.00 H ATOM 1055 N SER A 110 10.105 6.003 17.619 1.00 6.14 N ATOM 1056 CA SER A 110 9.864 6.729 18.851 1.00 6.74 C ATOM 1057 C SER A 110 10.441 5.981 20.046 1.00 6.81 C ATOM 1058 O SER A 110 10.517 4.740 20.085 1.00 7.45 O ATOM 1059 CB SER A 110 8.337 6.852 19.016 1.00 6.89 C ATOM 1060 OG SER A 110 8.059 7.487 20.214 1.00 7.15 O ATOM 1061 HG SER A 110 7.078 7.568 20.324 1.00 0.00 H ATOM 1062 H SER A 110 9.307 5.503 17.177 1.00 0.00 H ATOM 1063 N THR A 111 10.780 6.765 21.071 1.00 7.25 N ATOM 1064 CA THR A 111 11.133 6.228 22.388 1.00 7.68 C ATOM 1065 C THR A 111 10.117 6.628 23.475 1.00 7.11 C ATOM 1066 O THR A 111 10.385 6.423 24.663 1.00 8.22 O ATOM 1067 CB THR A 111 12.557 6.689 22.816 1.00 8.77 C ATOM 1068 OG1 THR A 111 12.511 8.096 22.888 1.00 10.87 O ATOM 1069 CG2 THR A 111 13.590 6.206 21.798 1.00 10.57 C ATOM 1070 HG1 THR A 111 13.399 8.441 23.158 1.00 0.00 H ATOM 1071 H THR A 111 10.794 7.795 20.930 1.00 0.00 H ATOM 1072 N GLN A 112 8.990 7.166 23.064 1.00 6.97 N ATOM 1073 CA GLN A 112 8.041 7.748 24.017 1.00 7.23 C ATOM 1074 C GLN A 112 6.612 7.318 23.685 1.00 6.70 C ATOM 1075 O GLN A 112 6.293 7.066 22.515 1.00 7.56 O ATOM 1076 CB GLN A 112 8.095 9.283 23.972 1.00 8.02 C ATOM 1077 CG GLN A 112 9.452 9.774 24.450 1.00 9.40 C ATOM 1078 CD GLN A 112 9.463 11.276 24.663 1.00 9.59 C ATOM 1079 OE1 GLN A 112 8.974 12.029 23.848 1.00 9.18 O ATOM 1080 NE2 GLN A 112 10.063 11.682 25.810 1.00 14.18 N ATOM 1081 HE22 GLN A 112 10.462 10.980 26.465 1.00 0.00 H ATOM 1082 HE21 GLN A 112 10.124 12.696 26.034 1.00 0.00 H ATOM 1083 H GLN A 112 8.769 7.179 22.048 1.00 0.00 H ATOM 1084 N THR A 113 5.778 7.227 24.728 1.00 6.74 N ATOM 1085 CA THR A 113 4.385 7.000 24.515 1.00 6.89 C ATOM 1086 C THR A 113 3.638 8.297 24.378 1.00 6.40 C ATOM 1087 O THR A 113 3.927 9.293 25.094 1.00 7.68 O ATOM 1088 CB THR A 113 3.767 6.118 25.618 1.00 6.95 C ATOM 1089 OG1 THR A 113 2.427 5.867 25.200 1.00 7.16 O ATOM 1090 CG2 THR A 113 3.802 6.730 27.033 1.00 7.57 C ATOM 1091 HG1 THR A 113 1.973 5.300 25.873 1.00 0.00 H ATOM 1092 H THR A 113 6.146 7.322 25.696 1.00 0.00 H ATOM 1093 N VAL A 114 2.648 8.344 23.481 1.00 6.28 N ATOM 1094 CA VAL A 114 1.611 9.374 23.454 1.00 6.52 C ATOM 1095 C VAL A 114 0.280 8.865 23.988 1.00 6.55 C ATOM 1096 O VAL A 114 -0.647 9.658 24.157 1.00 7.10 O ATOM 1097 CB VAL A 114 1.428 10.024 22.095 1.00 7.49 C ATOM 1098 CG1 VAL A 114 2.694 10.749 21.701 1.00 9.64 C ATOM 1099 CG2 VAL A 114 1.005 9.007 21.019 1.00 7.86 C ATOM 1100 H VAL A 114 2.613 7.600 22.755 1.00 0.00 H ATOM 1101 N GLN A 115 0.177 7.542 24.210 1.00 6.58 N ATOM 1102 CA GLN A 115 -1.085 6.880 24.436 1.00 6.70 C ATOM 1103 C GLN A 115 -1.133 6.279 25.834 1.00 6.33 C ATOM 1104 O GLN A 115 -0.161 5.667 26.324 1.00 7.11 O ATOM 1105 CB GLN A 115 -1.238 5.767 23.394 1.00 7.32 C ATOM 1106 CG GLN A 115 -2.513 5.006 23.525 1.00 8.07 C ATOM 1107 CD GLN A 115 -2.722 4.003 22.468 1.00 8.18 C ATOM 1108 OE1 GLN A 115 -2.298 4.148 21.334 1.00 10.95 O ATOM 1109 NE2 GLN A 115 -3.367 2.857 22.819 1.00 9.90 N ATOM 1110 HE22 GLN A 115 -3.727 2.738 23.788 1.00 0.00 H ATOM 1111 HE21 GLN A 115 -3.500 2.100 22.119 1.00 0.00 H ATOM 1112 H GLN A 115 1.046 6.971 24.219 1.00 0.00 H ATOM 1113 N GLY A 116 -2.293 6.363 26.476 1.00 7.15 N ATOM 1114 CA GLY A 116 -2.515 5.725 27.767 1.00 8.22 C ATOM 1115 C GLY A 116 -2.520 4.222 27.635 1.00 7.69 C ATOM 1116 O GLY A 116 -2.910 3.628 26.586 1.00 7.64 O ATOM 1117 H GLY A 116 -3.069 6.903 26.042 1.00 0.00 H ATOM 1118 N PRO A 117 -2.122 3.546 28.697 1.00 9.08 N ATOM 1119 CA PRO A 117 -1.934 2.134 28.630 1.00 10.79 C ATOM 1120 C PRO A 117 -3.188 1.317 28.376 1.00 9.70 C ATOM 1121 O PRO A 117 -3.061 0.193 27.857 1.00 11.74 O ATOM 1122 CB PRO A 117 -1.325 1.834 30.111 1.00 11.39 C ATOM 1123 CG PRO A 117 -1.829 2.930 30.947 1.00 13.50 C ATOM 1124 CD PRO A 117 -1.818 4.113 30.063 1.00 11.06 C ATOM 1125 N ASP A 118 -4.355 1.832 28.701 1.00 9.19 N ATOM 1126 CA ASP A 118 -5.636 1.143 28.526 1.00 9.24 C ATOM 1127 C ASP A 118 -6.423 1.683 27.367 1.00 9.16 C ATOM 1128 O ASP A 118 -7.572 1.292 27.157 1.00 10.78 O ATOM 1129 CB ASP A 118 -6.482 1.282 29.824 1.00 11.58 C ATOM 1130 CG ASP A 118 -5.757 0.754 31.079 1.00 13.93 C ATOM 1131 OD1 ASP A 118 -5.161 -0.250 31.033 1.00 19.04 O ATOM 1132 OD2 ASP A 118 -5.784 1.381 32.153 1.00 17.48 O ATOM 1133 H ASP A 118 -4.369 2.789 29.108 1.00 0.00 H ATOM 1134 N SER A 119 -5.835 2.577 26.578 1.00 7.98 N ATOM 1135 CA SER A 119 -6.584 3.229 25.499 1.00 7.20 C ATOM 1136 C SER A 119 -6.688 2.306 24.286 1.00 7.49 C ATOM 1137 O SER A 119 -5.810 1.494 24.004 1.00 8.19 O ATOM 1138 CB SER A 119 -5.817 4.473 25.114 1.00 8.61 C ATOM 1139 OG SER A 119 -6.414 5.064 23.968 1.00 7.75 O ATOM 1140 HG SER A 119 -5.910 5.879 23.718 1.00 0.00 H ATOM 1141 H SER A 119 -4.834 2.816 26.728 1.00 0.00 H ATOM 1142 N ALA A 120 -7.807 2.473 23.558 1.00 6.65 N ATOM 1143 CA ALA A 120 -8.051 1.775 22.304 1.00 6.86 C ATOM 1144 C ALA A 120 -7.822 2.673 21.083 1.00 7.06 C ATOM 1145 O ALA A 120 -8.296 2.323 19.992 1.00 7.32 O ATOM 1146 CB ALA A 120 -9.397 1.084 22.321 1.00 8.26 C ATOM 1147 H ALA A 120 -8.532 3.132 23.908 1.00 0.00 H ATOM 1148 N ALA A 121 -7.086 3.764 21.238 1.00 6.44 N ATOM 1149 CA ALA A 121 -6.926 4.763 20.191 1.00 6.77 C ATOM 1150 C ALA A 121 -5.660 4.560 19.323 1.00 5.87 C ATOM 1151 O ALA A 121 -5.391 5.433 18.492 1.00 6.20 O ATOM 1152 CB ALA A 121 -6.963 6.161 20.758 1.00 8.30 C ATOM 1153 H ALA A 121 -6.602 3.913 22.146 1.00 0.00 H ATOM 1154 N CYS A 122 -4.945 3.452 19.478 1.00 5.40 N ATOM 1155 CA CYS A 122 -3.695 3.303 18.748 1.00 5.26 C ATOM 1156 C CYS A 122 -3.821 3.563 17.244 1.00 4.79 C ATOM 1157 O CYS A 122 -2.952 4.200 16.661 1.00 5.48 O ATOM 1158 CB CYS A 122 -3.067 1.946 18.987 1.00 5.92 C ATOM 1159 SG CYS A 122 -4.099 0.527 18.565 1.00 6.19 S ATOM 1160 H CYS A 122 -5.275 2.699 20.114 1.00 0.00 H ATOM 1161 N GLY A 123 -4.864 3.005 16.614 1.00 5.02 N ATOM 1162 CA GLY A 123 -4.956 3.205 15.155 1.00 5.32 C ATOM 1163 C GLY A 123 -5.162 4.659 14.781 1.00 4.67 C ATOM 1164 O GLY A 123 -4.663 5.130 13.771 1.00 5.32 O ATOM 1165 H GLY A 123 -5.578 2.454 17.132 1.00 0.00 H ATOM 1166 N LEU A 124 -5.924 5.392 15.613 1.00 5.06 N ATOM 1167 CA LEU A 124 -6.127 6.809 15.391 1.00 5.50 C ATOM 1168 C LEU A 124 -4.847 7.612 15.572 1.00 4.87 C ATOM 1169 O LEU A 124 -4.545 8.512 14.775 1.00 5.23 O ATOM 1170 CB LEU A 124 -7.233 7.327 16.296 1.00 5.70 C ATOM 1171 CG LEU A 124 -8.627 6.689 16.089 1.00 6.76 C ATOM 1172 CD1 LEU A 124 -9.601 7.319 17.063 1.00 8.25 C ATOM 1173 CD2 LEU A 124 -9.103 6.768 14.650 1.00 7.64 C ATOM 1174 H LEU A 124 -6.375 4.933 16.430 1.00 0.00 H ATOM 1175 N PHE A 125 -4.055 7.288 16.621 1.00 5.24 N ATOM 1176 CA PHE A 125 -2.759 7.925 16.734 1.00 5.32 C ATOM 1177 C PHE A 125 -1.874 7.626 15.534 1.00 4.87 C ATOM 1178 O PHE A 125 -1.138 8.512 15.066 1.00 5.35 O ATOM 1179 CB PHE A 125 -2.029 7.515 18.031 1.00 5.72 C ATOM 1180 CG PHE A 125 -2.508 8.223 19.257 1.00 5.50 C ATOM 1181 CD1 PHE A 125 -2.317 9.601 19.421 1.00 6.18 C ATOM 1182 CD2 PHE A 125 -3.100 7.540 20.322 1.00 6.62 C ATOM 1183 CE1 PHE A 125 -2.670 10.256 20.591 1.00 7.39 C ATOM 1184 CE2 PHE A 125 -3.469 8.219 21.494 1.00 7.28 C ATOM 1185 CZ PHE A 125 -3.260 9.561 21.622 1.00 7.23 C ATOM 1186 H PHE A 125 -4.370 6.596 17.331 1.00 0.00 H ATOM 1187 N CYS A 126 -1.937 6.400 14.990 1.00 4.81 N ATOM 1188 CA CYS A 126 -1.208 6.080 13.786 1.00 5.06 C ATOM 1189 C CYS A 126 -1.608 6.971 12.614 1.00 4.75 C ATOM 1190 O CYS A 126 -0.785 7.412 11.829 1.00 5.40 O ATOM 1191 CB CYS A 126 -1.360 4.610 13.412 1.00 4.99 C ATOM 1192 SG CYS A 126 -0.484 3.462 14.501 1.00 5.56 S ATOM 1193 H CYS A 126 -2.521 5.669 15.444 1.00 0.00 H ATOM 1194 N CYS A 127 -2.941 7.198 12.465 1.00 5.37 N ATOM 1195 CA CYS A 127 -3.396 8.090 11.419 1.00 5.66 C ATOM 1196 C CYS A 127 -2.818 9.520 11.594 1.00 5.16 C ATOM 1197 O CYS A 127 -2.410 10.141 10.616 1.00 5.81 O ATOM 1198 CB CYS A 127 -4.938 8.174 11.436 1.00 6.37 C ATOM 1199 SG CYS A 127 -5.794 6.671 10.926 1.00 6.90 S ATOM 1200 H CYS A 127 -3.626 6.736 13.096 1.00 0.00 H ATOM 1201 N MET A 128 -2.834 10.015 12.822 1.00 5.67 N ATOM 1202 CA MET A 128 -2.306 11.350 13.099 1.00 5.66 C ATOM 1203 C MET A 128 -0.817 11.406 12.750 1.00 5.63 C ATOM 1204 O MET A 128 -0.344 12.365 12.094 1.00 5.95 O ATOM 1205 CB MET A 128 -2.599 11.681 14.547 1.00 6.67 C ATOM 1206 CG MET A 128 -2.153 13.109 14.919 1.00 7.18 C ATOM 1207 SD MET A 128 -2.827 13.549 16.529 1.00 7.75 S ATOM 1208 CE MET A 128 -2.214 15.261 16.642 1.00 8.87 C ATOM 1209 H MET A 128 -3.227 9.447 13.599 1.00 0.00 H ATOM 1210 N PHE A 129 -0.035 10.390 13.134 1.00 5.67 N ATOM 1211 CA PHE A 129 1.369 10.331 12.734 1.00 5.68 C ATOM 1212 C PHE A 129 1.508 10.344 11.227 1.00 5.36 C ATOM 1213 O PHE A 129 2.387 11.032 10.689 1.00 6.16 O ATOM 1214 CB PHE A 129 2.059 9.103 13.321 1.00 6.04 C ATOM 1215 CG PHE A 129 3.461 8.940 12.762 1.00 5.84 C ATOM 1216 CD1 PHE A 129 4.515 9.679 13.283 1.00 6.82 C ATOM 1217 CD2 PHE A 129 3.709 8.087 11.692 1.00 6.23 C ATOM 1218 CE1 PHE A 129 5.768 9.591 12.731 1.00 7.73 C ATOM 1219 CE2 PHE A 129 4.971 7.997 11.140 1.00 7.35 C ATOM 1220 CZ PHE A 129 5.998 8.758 11.652 1.00 7.36 C ATOM 1221 H PHE A 129 -0.432 9.632 13.725 1.00 0.00 H ATOM 1222 N LEU A 130 0.672 9.576 10.513 1.00 5.15 N ATOM 1223 CA LEU A 130 0.815 9.550 9.052 1.00 5.67 C ATOM 1224 C LEU A 130 0.479 10.899 8.409 1.00 5.44 C ATOM 1225 O LEU A 130 1.078 11.245 7.396 1.00 6.31 O ATOM 1226 CB LEU A 130 0.010 8.396 8.432 1.00 5.77 C ATOM 1227 CG LEU A 130 0.656 7.012 8.717 1.00 6.55 C ATOM 1228 CD1 LEU A 130 -0.157 5.942 8.000 1.00 7.07 C ATOM 1229 CD2 LEU A 130 2.111 6.951 8.257 1.00 6.76 C ATOM 1230 H LEU A 130 -0.062 9.010 10.984 1.00 0.00 H ATOM 1231 N HIS A 131 -0.453 11.659 8.990 1.00 6.01 N ATOM 1232 CA HIS A 131 -0.638 13.036 8.503 1.00 6.45 C ATOM 1233 C HIS A 131 0.651 13.821 8.636 1.00 6.26 C ATOM 1234 O HIS A 131 1.060 14.547 7.717 1.00 6.71 O ATOM 1235 CB HIS A 131 -1.757 13.724 9.309 1.00 6.58 C ATOM 1236 CG HIS A 131 -2.002 15.127 8.857 1.00 6.71 C ATOM 1237 ND1 HIS A 131 -1.381 16.220 9.459 1.00 7.73 N ATOM 1238 CD2 HIS A 131 -2.879 15.578 7.903 1.00 8.26 C ATOM 1239 CE1 HIS A 131 -1.845 17.279 8.802 1.00 9.25 C ATOM 1240 NE2 HIS A 131 -2.744 16.945 7.870 1.00 9.35 N ATOM 1241 H HIS A 131 -1.034 11.287 9.768 1.00 0.00 H ATOM 1242 N ALA A 132 1.312 13.695 9.798 1.00 6.34 N ATOM 1243 CA ALA A 132 2.616 14.375 9.987 1.00 7.22 C ATOM 1244 C ALA A 132 3.631 13.922 8.959 1.00 7.34 C ATOM 1245 O ALA A 132 4.383 14.725 8.405 1.00 8.40 O ATOM 1246 CB ALA A 132 3.092 14.196 11.412 1.00 7.36 C ATOM 1247 H ALA A 132 0.909 13.120 10.566 1.00 0.00 H ATOM 1248 N PHE A 133 3.696 12.600 8.736 1.00 6.53 N ATOM 1249 CA PHE A 133 4.657 12.031 7.803 1.00 6.94 C ATOM 1250 C PHE A 133 4.438 12.536 6.359 1.00 6.56 C ATOM 1251 O PHE A 133 5.397 12.912 5.690 1.00 7.95 O ATOM 1252 CB PHE A 133 4.604 10.504 7.888 1.00 7.01 C ATOM 1253 CG PHE A 133 5.378 9.851 6.790 1.00 7.00 C ATOM 1254 CD1 PHE A 133 6.742 9.851 6.753 1.00 9.78 C ATOM 1255 CD2 PHE A 133 4.689 9.250 5.730 1.00 7.46 C ATOM 1256 CE1 PHE A 133 7.388 9.247 5.548 1.00 11.38 C ATOM 1257 CE2 PHE A 133 5.294 8.727 4.613 1.00 9.89 C ATOM 1258 CZ PHE A 133 6.620 8.747 4.577 1.00 11.35 C ATOM 1259 H PHE A 133 3.044 11.967 9.242 1.00 0.00 H ATOM 1260 N VAL A 134 3.197 12.495 5.875 1.00 7.02 N ATOM 1261 CA VAL A 134 3.048 12.825 4.463 1.00 7.41 C ATOM 1262 C VAL A 134 3.221 14.316 4.218 1.00 8.02 C ATOM 1263 O VAL A 134 3.592 14.704 3.129 1.00 10.85 O ATOM 1264 CB VAL A 134 1.765 12.275 3.825 1.00 7.93 C ATOM 1265 CG1 VAL A 134 1.698 10.771 4.024 1.00 7.63 C ATOM 1266 CG2 VAL A 134 0.533 13.013 4.283 1.00 10.92 C ATOM 1267 H VAL A 134 2.382 12.242 6.470 1.00 0.00 H ATOM 1268 N HIS A 135 2.991 15.157 5.227 1.00 8.00 N ATOM 1269 CA HIS A 135 3.127 16.587 5.052 1.00 8.61 C ATOM 1270 C HIS A 135 4.531 17.055 5.398 1.00 8.94 C ATOM 1271 O HIS A 135 4.968 18.087 4.830 1.00 11.11 O ATOM 1272 CB HIS A 135 1.982 17.324 5.803 1.00 8.86 C ATOM 1273 CG HIS A 135 0.676 16.988 5.268 1.00 9.16 C ATOM 1274 ND1 HIS A 135 -0.115 15.977 5.715 1.00 8.71 N ATOM 1275 CD2 HIS A 135 0.015 17.443 4.130 1.00 14.53 C ATOM 1276 CE1 HIS A 135 -1.197 15.847 4.962 1.00 10.95 C ATOM 1277 NE2 HIS A 135 -1.171 16.776 3.982 1.00 14.03 N ATOM 1278 H HIS A 135 2.709 14.779 6.154 1.00 0.00 H ATOM 1279 N TRP A 136 5.266 16.382 6.281 1.00 8.53 N ATOM 1280 CA TRP A 136 6.610 16.725 6.729 1.00 9.46 C ATOM 1281 C TRP A 136 7.488 15.452 6.801 1.00 8.65 C ATOM 1282 O TRP A 136 7.929 15.015 7.889 1.00 9.13 O ATOM 1283 CB TRP A 136 6.609 17.455 8.104 1.00 10.51 C ATOM 1284 CG TRP A 136 5.773 18.703 7.989 1.00 10.94 C ATOM 1285 CD1 TRP A 136 6.138 19.897 7.375 1.00 14.51 C ATOM 1286 CD2 TRP A 136 4.411 18.862 8.414 1.00 10.40 C ATOM 1287 NE1 TRP A 136 5.014 20.766 7.351 1.00 15.02 N ATOM 1288 CE2 TRP A 136 3.966 20.125 7.947 1.00 11.33 C ATOM 1289 CE3 TRP A 136 3.538 18.038 9.100 1.00 10.87 C ATOM 1290 CZ2 TRP A 136 2.638 20.543 8.202 1.00 13.63 C ATOM 1291 CZ3 TRP A 136 2.225 18.451 9.333 1.00 11.54 C ATOM 1292 CH2 TRP A 136 1.789 19.719 8.898 1.00 13.53 C ATOM 1293 HE1 TRP A 136 4.993 21.725 6.949 1.00 0.00 H ATOM 1294 H TRP A 136 4.839 15.527 6.692 1.00 0.00 H ATOM 1295 N PRO A 137 7.777 14.832 5.642 1.00 8.71 N ATOM 1296 CA PRO A 137 8.401 13.498 5.652 1.00 8.97 C ATOM 1297 C PRO A 137 9.851 13.453 6.090 1.00 9.21 C ATOM 1298 O PRO A 137 10.390 12.370 6.279 1.00 10.81 O ATOM 1299 CB PRO A 137 8.211 13.020 4.200 1.00 9.32 C ATOM 1300 CG PRO A 137 8.120 14.283 3.432 1.00 10.89 C ATOM 1301 CD PRO A 137 7.334 15.195 4.309 1.00 10.26 C ATOM 1302 N ASP A 138 10.484 14.622 6.242 1.00 10.20 N ATOM 1303 CA ASP A 138 11.856 14.635 6.777 1.00 11.60 C ATOM 1304 C ASP A 138 11.860 14.806 8.276 1.00 12.25 C ATOM 1305 O ASP A 138 12.939 14.677 8.852 1.00 15.06 O ATOM 1306 CB ASP A 138 12.678 15.733 6.158 1.00 11.80 C ATOM 1307 CG ASP A 138 12.935 15.435 4.719 1.00 16.73 C ATOM 1308 OD1 ASP A 138 13.172 14.297 4.321 1.00 21.85 O ATOM 1309 OD2 ASP A 138 12.940 16.386 3.926 1.00 26.57 O ATOM 1310 H ASP A 138 10.012 15.512 5.985 1.00 0.00 H ATOM 1311 N ARG A 139 10.741 15.094 8.926 1.00 10.72 N ATOM 1312 CA ARG A 139 10.774 15.309 10.373 1.00 11.10 C ATOM 1313 C ARG A 139 9.373 15.028 10.961 1.00 9.62 C ATOM 1314 O ARG A 139 8.756 15.893 11.548 1.00 12.13 O ATOM 1315 CB ARG A 139 11.202 16.753 10.704 1.00 17.20 C ATOM 1316 CG ARG A 139 10.262 17.793 9.981 1.00 23.94 C ATOM 1317 CD ARG A 139 10.560 19.264 10.265 1.00 30.77 C ATOM 1318 NE ARG A 139 10.097 20.109 9.167 1.00 54.40 N ATOM 1319 CZ ARG A 139 9.043 20.950 9.260 1.00 46.68 C ATOM 1320 NH1 ARG A 139 8.299 21.061 10.410 1.00 88.51 N ATOM 1321 NH2 ARG A 139 8.715 21.717 8.212 1.00 43.78 N ATOM 1322 HE ARG A 139 10.607 20.061 8.262 1.00 0.00 H ATOM 1323 HH12 ARG A 139 7.494 21.718 10.447 1.00 0.00 H ATOM 1324 HH11 ARG A 139 8.541 20.488 11.243 1.00 0.00 H ATOM 1325 HH22 ARG A 139 7.905 22.367 8.276 1.00 0.00 H ATOM 1326 HH21 ARG A 139 9.270 21.663 7.334 1.00 0.00 H ATOM 1327 H ARG A 139 9.842 15.167 8.409 1.00 0.00 H ATOM 1328 N PRO A 140 8.906 13.792 10.843 1.00 8.41 N ATOM 1329 CA PRO A 140 7.537 13.512 11.244 1.00 7.76 C ATOM 1330 C PRO A 140 7.316 13.336 12.744 1.00 7.42 C ATOM 1331 O PRO A 140 6.213 13.472 13.209 1.00 8.86 O ATOM 1332 CB PRO A 140 7.219 12.222 10.516 1.00 8.42 C ATOM 1333 CG PRO A 140 8.515 11.524 10.420 1.00 8.54 C ATOM 1334 CD PRO A 140 9.496 12.624 10.120 1.00 9.22 C ATOM 1335 N MET A 141 8.380 12.907 13.493 1.00 7.83 N ATOM 1336 CA MET A 141 8.131 12.519 14.906 1.00 7.80 C ATOM 1337 C MET A 141 7.859 13.675 15.851 1.00 8.65 C ATOM 1338 O MET A 141 7.155 13.532 16.855 1.00 8.97 O ATOM 1339 CB MET A 141 9.327 11.734 15.438 1.00 8.69 C ATOM 1340 CG MET A 141 9.572 10.396 14.760 1.00 8.46 C ATOM 1341 SD MET A 141 8.529 9.107 15.485 1.00 8.64 S ATOM 1342 CE MET A 141 8.851 7.778 14.311 1.00 8.70 C ATOM 1343 H MET A 141 9.335 12.854 13.084 1.00 0.00 H ATOM 1344 N ASP A 142 8.450 14.841 15.524 1.00 10.02 N ATOM 1345 CA ASP A 142 8.335 16.011 16.404 1.00 9.73 C ATOM 1346 C ASP A 142 8.703 17.215 15.577 1.00 10.40 C ATOM 1347 O ASP A 142 9.278 17.100 14.496 1.00 12.87 O ATOM 1348 CB ASP A 142 9.194 15.817 17.680 1.00 12.47 C ATOM 1349 CG ASP A 142 8.795 16.701 18.835 1.00 15.18 C ATOM 1350 OD1 ASP A 142 7.691 17.338 18.816 1.00 15.04 O ATOM 1351 OD2 ASP A 142 9.593 16.669 19.817 1.00 24.02 O ATOM 1352 H ASP A 142 8.993 14.913 14.640 1.00 0.00 H ATOM 1353 N GLY A 143 8.393 18.397 16.105 1.00 11.70 N ATOM 1354 CA GLY A 143 8.828 19.588 15.399 1.00 12.67 C ATOM 1355 C GLY A 143 8.081 19.829 14.072 1.00 11.31 C ATOM 1356 O GLY A 143 8.647 20.273 13.067 1.00 13.50 O ATOM 1357 H GLY A 143 7.857 18.465 16.994 1.00 0.00 H ATOM 1358 N ASN A 144 6.745 19.551 14.105 1.00 11.67 N ATOM 1359 CA ASN A 144 5.856 19.837 12.957 1.00 10.44 C ATOM 1360 C ASN A 144 4.528 20.131 13.555 1.00 9.44 C ATOM 1361 O ASN A 144 4.214 19.787 14.689 1.00 10.37 O ATOM 1362 CB ASN A 144 5.871 18.671 11.923 1.00 10.73 C ATOM 1363 CG ASN A 144 5.248 17.417 12.513 1.00 9.19 C ATOM 1364 OD1 ASN A 144 6.077 16.409 12.697 1.00 11.50 O ATOM 1365 ND2 ASN A 144 4.031 17.375 12.736 1.00 7.16 N ATOM 1366 HD22 ASN A 144 3.442 18.215 12.565 1.00 0.00 H ATOM 1367 HD21 ASN A 144 3.598 16.500 13.094 1.00 0.00 H ATOM 1368 H ASN A 144 6.340 19.125 14.963 1.00 0.00 H ATOM 1369 N PRO A 145 3.640 20.780 12.759 1.00 10.20 N ATOM 1370 CA PRO A 145 2.395 21.267 13.318 1.00 10.95 C ATOM 1371 C PRO A 145 1.469 20.164 13.886 1.00 9.71 C ATOM 1372 O PRO A 145 0.674 20.422 14.791 1.00 12.09 O ATOM 1373 CB PRO A 145 1.737 22.011 12.151 1.00 13.12 C ATOM 1374 CG PRO A 145 2.890 22.459 11.306 1.00 13.36 C ATOM 1375 CD PRO A 145 3.909 21.324 11.388 1.00 12.53 C ATOM 1376 N THR A 146 1.529 18.961 13.297 1.00 9.02 N ATOM 1377 CA THR A 146 0.673 17.877 13.786 1.00 7.58 C ATOM 1378 C THR A 146 1.214 17.282 15.069 1.00 7.41 C ATOM 1379 O THR A 146 0.517 17.253 16.101 1.00 8.01 O ATOM 1380 CB THR A 146 0.501 16.820 12.681 1.00 7.99 C ATOM 1381 OG1 THR A 146 -0.179 17.480 11.609 1.00 8.50 O ATOM 1382 CG2 THR A 146 -0.228 15.617 13.206 1.00 7.91 C ATOM 1383 HG1 THR A 146 -0.317 16.842 10.865 1.00 0.00 H ATOM 1384 H THR A 146 2.177 18.799 12.500 1.00 0.00 H ATOM 1385 N MET A 147 2.459 16.794 15.063 1.00 7.79 N ATOM 1386 CA MET A 147 2.968 16.136 16.251 1.00 7.82 C ATOM 1387 C MET A 147 3.279 17.097 17.373 1.00 8.21 C ATOM 1388 O MET A 147 3.322 16.669 18.542 1.00 8.43 O ATOM 1389 CB MET A 147 4.193 15.246 15.918 1.00 8.47 C ATOM 1390 CG MET A 147 3.798 14.016 15.098 1.00 8.93 C ATOM 1391 SD MET A 147 2.653 12.868 15.868 1.00 9.38 S ATOM 1392 CE MET A 147 3.739 12.147 17.082 1.00 10.93 C ATOM 1393 H MET A 147 3.056 16.885 14.216 1.00 0.00 H ATOM 1394 N ASN A 148 3.422 18.387 17.100 1.00 8.73 N ATOM 1395 CA ASN A 148 3.588 19.343 18.171 1.00 10.66 C ATOM 1396 C ASN A 148 2.376 19.395 19.076 1.00 9.86 C ATOM 1397 O ASN A 148 2.463 19.859 20.252 1.00 11.82 O ATOM 1398 CB ASN A 148 3.863 20.762 17.636 1.00 11.99 C ATOM 1399 CG ASN A 148 5.304 20.934 17.098 1.00 12.82 C ATOM 1400 OD1 ASN A 148 6.132 20.051 17.259 1.00 14.44 O ATOM 1401 ND2 ASN A 148 5.566 22.118 16.558 1.00 17.82 N ATOM 1402 HD22 ASN A 148 4.807 22.821 16.453 1.00 0.00 H ATOM 1403 HD21 ASN A 148 6.530 22.342 16.240 1.00 0.00 H ATOM 1404 H ASN A 148 3.415 18.712 16.112 1.00 0.00 H ATOM 1405 N LEU A 149 1.210 18.925 18.624 1.00 9.10 N ATOM 1406 CA LEU A 149 0.006 18.917 19.466 1.00 9.77 C ATOM 1407 C LEU A 149 0.094 17.915 20.601 1.00 10.20 C ATOM 1408 O LEU A 149 -0.620 18.062 21.564 1.00 15.07 O ATOM 1409 CB LEU A 149 -1.217 18.566 18.649 1.00 10.39 C ATOM 1410 CG LEU A 149 -1.561 19.638 17.585 1.00 10.62 C ATOM 1411 CD1 LEU A 149 -2.577 19.073 16.617 1.00 11.94 C ATOM 1412 CD2 LEU A 149 -2.171 20.883 18.236 1.00 13.73 C ATOM 1413 H LEU A 149 1.153 18.556 17.653 1.00 0.00 H ATOM 1414 N LEU A 150 0.963 16.867 20.456 1.00 8.87 N ATOM 1415 CA LEU A 150 1.022 15.797 21.434 1.00 8.78 C ATOM 1416 C LEU A 150 2.258 15.947 22.298 1.00 8.89 C ATOM 1417 O LEU A 150 3.269 16.523 21.868 1.00 11.42 O ATOM 1418 CB LEU A 150 1.113 14.461 20.686 1.00 8.70 C ATOM 1419 CG LEU A 150 -0.038 14.144 19.737 1.00 8.25 C ATOM 1420 CD1 LEU A 150 0.126 12.761 19.114 1.00 9.94 C ATOM 1421 CD2 LEU A 150 -1.391 14.297 20.390 1.00 9.60 C ATOM 1422 H LEU A 150 1.593 16.837 19.629 1.00 0.00 H ATOM 1423 N THR A 151 2.190 15.444 23.510 1.00 8.28 N ATOM 1424 CA THR A 151 3.305 15.435 24.456 1.00 8.46 C ATOM 1425 C THR A 151 3.794 14.014 24.652 1.00 8.41 C ATOM 1426 O THR A 151 3.062 13.178 25.229 1.00 8.79 O ATOM 1427 CB THR A 151 2.919 16.008 25.797 1.00 10.93 C ATOM 1428 OG1 THR A 151 2.501 17.330 25.610 1.00 14.21 O ATOM 1429 CG2 THR A 151 4.071 15.983 26.785 1.00 12.51 C ATOM 1430 HG1 THR A 151 1.723 17.345 24.998 1.00 0.00 H ATOM 1431 H THR A 151 1.288 15.027 23.815 1.00 0.00 H ATOM 1432 N GLY A 152 4.999 13.685 24.217 1.00 9.83 N ATOM 1433 CA GLY A 152 5.571 12.367 24.463 1.00 10.67 C ATOM 1434 C GLY A 152 6.002 12.246 25.951 1.00 8.87 C ATOM 1435 O GLY A 152 6.508 13.187 26.532 1.00 10.71 O ATOM 1436 H GLY A 152 5.553 14.386 23.685 1.00 0.00 H ATOM 1437 N VAL A 153 5.855 11.024 26.450 1.00 8.51 N ATOM 1438 CA VAL A 153 6.258 10.637 27.792 1.00 9.55 C ATOM 1439 C VAL A 153 7.233 9.465 27.665 1.00 8.35 C ATOM 1440 O VAL A 153 7.012 8.573 26.838 1.00 8.14 O ATOM 1441 CB VAL A 153 4.932 10.161 28.550 1.00 15.79 C ATOM 1442 CG1 VAL A 153 5.177 9.374 29.718 1.00 16.87 C ATOM 1443 CG2 VAL A 153 4.044 11.445 28.759 1.00 16.86 C ATOM 1444 H VAL A 153 5.424 10.298 25.842 1.00 0.00 H ATOM 1445 N PRO A 154 8.305 9.401 28.441 1.00 10.16 N ATOM 1446 CA PRO A 154 9.193 8.247 28.294 1.00 10.08 C ATOM 1447 C PRO A 154 8.440 6.907 28.298 1.00 8.56 C ATOM 1448 O PRO A 154 7.586 6.687 29.141 1.00 9.21 O ATOM 1449 CB PRO A 154 10.127 8.360 29.563 1.00 13.21 C ATOM 1450 CG PRO A 154 10.130 9.864 29.833 1.00 15.83 C ATOM 1451 CD PRO A 154 8.728 10.341 29.522 1.00 13.67 C ATOM 1452 N ASN A 155 8.806 6.002 27.403 1.00 8.61 N ATOM 1453 CA ASN A 155 8.125 4.738 27.353 1.00 8.68 C ATOM 1454 C ASN A 155 8.164 3.979 28.666 1.00 8.53 C ATOM 1455 O ASN A 155 7.210 3.282 29.016 1.00 9.18 O ATOM 1456 CB ASN A 155 8.708 3.900 26.188 1.00 9.20 C ATOM 1457 CG ASN A 155 8.235 2.456 26.244 1.00 8.42 C ATOM 1458 OD1 ASN A 155 7.113 2.140 25.718 1.00 10.17 O ATOM 1459 ND2 ASN A 155 8.983 1.629 26.845 1.00 8.89 N ATOM 1460 HD22 ASN A 155 9.886 1.946 27.253 1.00 0.00 H ATOM 1461 HD21 ASN A 155 8.694 0.633 26.930 1.00 0.00 H ATOM 1462 H ASN A 155 9.582 6.205 26.741 1.00 0.00 H ATOM 1463 N GLY A 156 9.274 4.121 29.402 1.00 9.67 N ATOM 1464 CA GLY A 156 9.395 3.435 30.684 1.00 11.16 C ATOM 1465 C GLY A 156 8.411 3.911 31.737 1.00 10.20 C ATOM 1466 O GLY A 156 8.260 3.264 32.781 1.00 12.32 O ATOM 1467 H GLY A 156 10.051 4.721 29.059 1.00 0.00 H ATOM 1468 N MET A 157 7.726 5.043 31.502 1.00 9.56 N ATOM 1469 CA MET A 157 6.701 5.582 32.419 1.00 9.24 C ATOM 1470 C MET A 157 5.276 5.201 32.010 1.00 8.67 C ATOM 1471 O MET A 157 4.343 5.713 32.610 1.00 9.39 O ATOM 1472 CB MET A 157 6.786 7.101 32.539 1.00 10.60 C ATOM 1473 CG MET A 157 8.097 7.541 33.136 1.00 13.53 C ATOM 1474 SD MET A 157 8.120 7.234 34.904 1.00 18.99 S ATOM 1475 CE MET A 157 6.995 8.507 35.546 1.00 23.14 C ATOM 1476 H MET A 157 7.928 5.568 30.627 1.00 0.00 H ATOM 1477 N LEU A 158 5.122 4.345 30.980 1.00 8.91 N ATOM 1478 CA LEU A 158 3.800 4.062 30.461 1.00 8.37 C ATOM 1479 C LEU A 158 2.774 3.652 31.532 1.00 9.01 C ATOM 1480 O LEU A 158 1.591 4.013 31.383 1.00 10.17 O ATOM 1481 CB LEU A 158 3.926 2.992 29.422 1.00 9.36 C ATOM 1482 CG LEU A 158 2.596 2.496 28.763 1.00 9.06 C ATOM 1483 CD1 LEU A 158 1.836 3.601 28.073 1.00 9.62 C ATOM 1484 CD2 LEU A 158 2.914 1.420 27.747 1.00 11.43 C ATOM 1485 H LEU A 158 5.954 3.887 30.557 1.00 0.00 H ATOM 1486 N GLN A 159 3.218 2.879 32.527 1.00 9.27 N ATOM 1487 CA GLN A 159 2.282 2.390 33.535 1.00 10.21 C ATOM 1488 C GLN A 159 2.234 3.259 34.787 1.00 10.30 C ATOM 1489 O GLN A 159 1.610 2.846 35.790 1.00 13.23 O ATOM 1490 CB GLN A 159 2.647 0.932 33.931 1.00 12.32 C ATOM 1491 CG GLN A 159 2.831 -0.001 32.745 1.00 11.60 C ATOM 1492 CD GLN A 159 1.612 -0.107 31.875 1.00 12.51 C ATOM 1493 OE1 GLN A 159 0.445 0.077 32.325 1.00 14.34 O ATOM 1494 NE2 GLN A 159 1.821 -0.405 30.587 1.00 14.18 N ATOM 1495 HE22 GLN A 159 2.790 -0.552 30.238 1.00 0.00 H ATOM 1496 HE21 GLN A 159 1.015 -0.489 29.935 1.00 0.00 H ATOM 1497 H GLN A 159 4.225 2.627 32.583 1.00 0.00 H ATOM 1498 N SER A 160 2.864 4.423 34.770 1.00 9.22 N ATOM 1499 CA SER A 160 2.857 5.264 35.976 1.00 9.86 C ATOM 1500 C SER A 160 1.603 6.083 36.115 1.00 9.08 C ATOM 1501 O SER A 160 1.139 6.710 35.150 1.00 9.35 O ATOM 1502 CB SER A 160 4.009 6.278 35.806 1.00 10.17 C ATOM 1503 OG SER A 160 3.950 7.254 36.856 1.00 11.40 O ATOM 1504 HG SER A 160 4.037 6.801 37.732 1.00 0.00 H ATOM 1505 H SER A 160 3.359 4.740 33.912 1.00 0.00 H ATOM 1506 N PRO A 161 1.054 6.226 37.316 1.00 10.07 N ATOM 1507 CA PRO A 161 -0.084 7.095 37.521 1.00 10.22 C ATOM 1508 C PRO A 161 0.288 8.550 37.234 1.00 9.07 C ATOM 1509 O PRO A 161 -0.616 9.393 37.003 1.00 10.37 O ATOM 1510 CB PRO A 161 -0.453 6.866 38.973 1.00 13.82 C ATOM 1511 CG PRO A 161 0.721 6.359 39.603 1.00 15.38 C ATOM 1512 CD PRO A 161 1.446 5.537 38.580 1.00 11.35 C ATOM 1513 N GLN A 162 1.560 8.917 37.336 1.00 8.49 N ATOM 1514 CA GLN A 162 1.952 10.311 37.174 1.00 8.42 C ATOM 1515 C GLN A 162 1.726 10.845 35.758 1.00 8.48 C ATOM 1516 O GLN A 162 1.688 12.057 35.559 1.00 10.72 O ATOM 1517 CB GLN A 162 3.404 10.551 37.557 1.00 9.14 C ATOM 1518 CG GLN A 162 3.688 10.363 39.025 1.00 8.96 C ATOM 1519 CD GLN A 162 5.079 10.649 39.413 1.00 9.10 C ATOM 1520 OE1 GLN A 162 5.974 9.892 39.009 1.00 12.03 O ATOM 1521 NE2 GLN A 162 5.314 11.726 40.135 1.00 8.40 N ATOM 1522 HE22 GLN A 162 4.524 12.326 40.447 1.00 0.00 H ATOM 1523 HE21 GLN A 162 6.290 11.976 40.393 1.00 0.00 H ATOM 1524 H GLN A 162 2.286 8.200 37.534 1.00 0.00 H ATOM 1525 N VAL A 163 1.634 9.965 34.765 1.00 8.04 N ATOM 1526 CA VAL A 163 1.532 10.406 33.357 1.00 8.31 C ATOM 1527 C VAL A 163 0.107 10.333 32.841 1.00 7.52 C ATOM 1528 O VAL A 163 -0.107 10.717 31.678 1.00 8.43 O ATOM 1529 CB VAL A 163 2.524 9.641 32.465 1.00 10.13 C ATOM 1530 CG1 VAL A 163 3.960 9.872 33.009 1.00 12.81 C ATOM 1531 CG2 VAL A 163 2.185 8.208 32.349 1.00 10.24 C ATOM 1532 H VAL A 163 1.634 8.948 34.983 1.00 0.00 H ATOM 1533 N LEU A 164 -0.841 9.838 33.611 1.00 7.84 N ATOM 1534 CA LEU A 164 -2.192 9.685 33.091 1.00 8.63 C ATOM 1535 C LEU A 164 -2.823 10.973 32.631 1.00 7.97 C ATOM 1536 O LEU A 164 -3.499 10.974 31.577 1.00 9.08 O ATOM 1537 CB LEU A 164 -3.088 8.936 34.070 1.00 9.43 C ATOM 1538 CG LEU A 164 -2.756 7.452 34.205 1.00 10.94 C ATOM 1539 CD1 LEU A 164 -3.549 6.922 35.406 1.00 13.84 C ATOM 1540 CD2 LEU A 164 -3.020 6.667 32.920 1.00 12.28 C ATOM 1541 H LEU A 164 -0.624 9.557 34.589 1.00 0.00 H ATOM 1542 N PRO A 165 -2.697 12.091 33.318 1.00 7.20 N ATOM 1543 CA PRO A 165 -3.251 13.339 32.780 1.00 6.99 C ATOM 1544 C PRO A 165 -2.690 13.712 31.430 1.00 7.40 C ATOM 1545 O PRO A 165 -3.470 14.131 30.551 1.00 8.22 O ATOM 1546 CB PRO A 165 -2.966 14.378 33.890 1.00 7.86 C ATOM 1547 CG PRO A 165 -2.925 13.512 35.166 1.00 8.72 C ATOM 1548 CD PRO A 165 -2.187 12.246 34.719 1.00 7.68 C ATOM 1549 N THR A 166 -1.386 13.583 31.250 1.00 7.36 N ATOM 1550 CA THR A 166 -0.760 13.940 29.992 1.00 8.06 C ATOM 1551 C THR A 166 -1.283 13.057 28.859 1.00 7.22 C ATOM 1552 O THR A 166 -1.575 13.543 27.752 1.00 8.29 O ATOM 1553 CB THR A 166 0.758 13.852 30.112 1.00 8.80 C ATOM 1554 OG1 THR A 166 1.224 14.748 31.114 1.00 12.07 O ATOM 1555 CG2 THR A 166 1.448 14.166 28.833 1.00 10.92 C ATOM 1556 HG1 THR A 166 0.815 14.510 31.984 1.00 0.00 H ATOM 1557 H THR A 166 -0.798 13.218 32.026 1.00 0.00 H ATOM 1558 N LEU A 167 -1.343 11.772 29.106 1.00 7.59 N ATOM 1559 CA LEU A 167 -1.753 10.833 28.063 1.00 7.67 C ATOM 1560 C LEU A 167 -3.213 11.002 27.708 1.00 7.40 C ATOM 1561 O LEU A 167 -3.610 10.838 26.525 1.00 7.38 O ATOM 1562 CB LEU A 167 -1.377 9.401 28.452 1.00 7.83 C ATOM 1563 CG LEU A 167 0.144 9.200 28.663 1.00 7.98 C ATOM 1564 CD1 LEU A 167 0.436 7.765 29.128 1.00 8.76 C ATOM 1565 CD2 LEU A 167 0.969 9.583 27.462 1.00 9.33 C ATOM 1566 H LEU A 167 -1.097 11.417 30.052 1.00 0.00 H ATOM 1567 N ARG A 168 -4.049 11.340 28.698 1.00 7.44 N ATOM 1568 CA ARG A 168 -5.466 11.633 28.386 1.00 7.63 C ATOM 1569 C ARG A 168 -5.565 12.937 27.584 1.00 7.81 C ATOM 1570 O ARG A 168 -6.363 12.998 26.622 1.00 8.05 O ATOM 1571 CB ARG A 168 -6.298 11.686 29.668 1.00 8.39 C ATOM 1572 CG ARG A 168 -7.759 12.011 29.409 1.00 8.43 C ATOM 1573 CD ARG A 168 -8.560 12.126 30.679 1.00 9.13 C ATOM 1574 NE ARG A 168 -8.710 10.853 31.403 1.00 8.35 N ATOM 1575 CZ ARG A 168 -9.665 9.968 31.150 1.00 8.65 C ATOM 1576 NH1 ARG A 168 -9.741 8.870 31.911 1.00 10.62 N ATOM 1577 NH2 ARG A 168 -10.536 10.181 30.159 1.00 9.58 N ATOM 1578 HE ARG A 168 -8.027 10.635 32.157 1.00 0.00 H ATOM 1579 HH12 ARG A 168 -10.482 8.163 31.731 1.00 0.00 H ATOM 1580 HH11 ARG A 168 -9.059 8.724 32.683 1.00 0.00 H ATOM 1581 HH22 ARG A 168 -11.283 9.484 29.965 1.00 0.00 H ATOM 1582 HH21 ARG A 168 -10.467 11.044 29.582 1.00 0.00 H ATOM 1583 H ARG A 168 -3.706 11.396 29.678 1.00 0.00 H ATOM 1584 N ARG A 169 -4.824 13.939 27.952 1.00 7.72 N ATOM 1585 CA ARG A 169 -4.843 15.195 27.175 1.00 7.72 C ATOM 1586 C ARG A 169 -4.421 14.909 25.733 1.00 6.96 C ATOM 1587 O ARG A 169 -5.020 15.489 24.819 1.00 7.37 O ATOM 1588 CB ARG A 169 -3.903 16.179 27.850 1.00 9.79 C ATOM 1589 CG ARG A 169 -3.864 17.493 27.144 1.00 12.80 C ATOM 1590 CD ARG A 169 -3.050 18.528 27.748 1.00 14.94 C ATOM 1591 NE ARG A 169 -1.726 18.042 27.804 1.00 21.26 N ATOM 1592 CZ ARG A 169 -0.684 18.688 28.295 1.00 44.24 C ATOM 1593 NH1 ARG A 169 -0.922 19.712 29.132 1.00 70.35 N ATOM 1594 NH2 ARG A 169 0.602 18.293 28.024 1.00 36.16 N ATOM 1595 HE ARG A 169 -1.556 17.089 27.424 1.00 0.00 H ATOM 1596 HH12 ARG A 169 -0.128 20.246 29.540 1.00 0.00 H ATOM 1597 HH11 ARG A 169 -1.900 19.971 29.372 1.00 0.00 H ATOM 1598 HH22 ARG A 169 1.403 18.821 28.425 1.00 0.00 H ATOM 1599 HH21 ARG A 169 0.775 17.466 27.418 1.00 0.00 H ATOM 1600 H ARG A 169 -4.218 13.857 28.793 1.00 0.00 H ATOM 1601 N ASN A 170 -3.427 14.039 25.520 1.00 6.82 N ATOM 1602 CA ASN A 170 -3.072 13.700 24.151 1.00 6.75 C ATOM 1603 C ASN A 170 -4.272 13.123 23.398 1.00 6.67 C ATOM 1604 O ASN A 170 -4.430 13.414 22.199 1.00 7.04 O ATOM 1605 CB ASN A 170 -1.947 12.670 24.132 1.00 6.85 C ATOM 1606 CG ASN A 170 -0.586 13.244 24.438 1.00 6.95 C ATOM 1607 OD1 ASN A 170 -0.383 14.468 24.361 1.00 8.08 O ATOM 1608 ND2 ASN A 170 0.333 12.373 24.786 1.00 7.55 N ATOM 1609 HD22 ASN A 170 0.099 11.361 24.832 1.00 0.00 H ATOM 1610 HD21 ASN A 170 1.295 12.696 25.016 1.00 0.00 H ATOM 1611 H ASN A 170 -2.917 13.612 26.320 1.00 0.00 H ATOM 1612 N GLN A 171 -5.059 12.257 24.041 1.00 6.32 N ATOM 1613 CA GLN A 171 -6.189 11.673 23.373 1.00 6.66 C ATOM 1614 C GLN A 171 -7.254 12.705 23.044 1.00 6.42 C ATOM 1615 O GLN A 171 -7.877 12.653 21.976 1.00 6.41 O ATOM 1616 CB GLN A 171 -6.725 10.560 24.223 1.00 8.31 C ATOM 1617 CG GLN A 171 -7.763 9.702 23.494 1.00 8.91 C ATOM 1618 CD GLN A 171 -7.686 8.241 23.810 1.00 6.59 C ATOM 1619 OE1 GLN A 171 -8.754 7.523 23.537 1.00 8.92 O ATOM 1620 NE2 GLN A 171 -6.655 7.745 24.251 1.00 5.96 N ATOM 1621 HE22 GLN A 171 -5.833 8.349 24.454 1.00 0.00 H ATOM 1622 HE21 GLN A 171 -6.603 6.721 24.422 1.00 0.00 H ATOM 1623 H GLN A 171 -4.853 12.004 25.029 1.00 0.00 H ATOM 1624 N GLU A 172 -7.486 13.660 23.955 1.00 6.73 N ATOM 1625 CA GLU A 172 -8.434 14.728 23.669 1.00 7.34 C ATOM 1626 C GLU A 172 -7.937 15.593 22.495 1.00 7.05 C ATOM 1627 O GLU A 172 -8.734 15.992 21.645 1.00 8.23 O ATOM 1628 CB GLU A 172 -8.665 15.581 24.930 1.00 8.08 C ATOM 1629 CG GLU A 172 -9.328 14.740 26.029 1.00 8.93 C ATOM 1630 CD GLU A 172 -9.556 15.463 27.328 1.00 10.70 C ATOM 1631 OE1 GLU A 172 -9.765 14.821 28.338 1.00 12.46 O ATOM 1632 OE2 GLU A 172 -9.558 16.700 27.378 1.00 15.08 O ATOM 1633 H GLU A 172 -6.988 13.638 24.868 1.00 0.00 H ATOM 1634 N LYS A 173 -6.646 15.864 22.433 1.00 7.04 N ATOM 1635 CA LYS A 173 -6.081 16.618 21.328 1.00 7.93 C ATOM 1636 C LYS A 173 -6.168 15.813 20.008 1.00 6.81 C ATOM 1637 O LYS A 173 -6.419 16.408 18.950 1.00 7.03 O ATOM 1638 CB LYS A 173 -4.676 17.030 21.646 1.00 10.94 C ATOM 1639 CG LYS A 173 -4.705 18.104 22.814 1.00 14.99 C ATOM 1640 CD LYS A 173 -3.428 18.731 23.123 1.00 17.04 C ATOM 1641 CE LYS A 173 -3.332 19.853 22.109 1.00 24.72 C ATOM 1642 NZ LYS A 173 -2.292 20.787 22.612 1.00 59.16 N ATOM 1643 HZ1 LYS A 173 -2.576 21.151 23.544 1.00 0.00 H ATOM 1644 HZ2 LYS A 173 -1.386 20.283 22.696 1.00 0.00 H ATOM 1645 HZ3 LYS A 173 -2.188 21.579 21.946 1.00 0.00 H ATOM 1646 H LYS A 173 -6.020 15.530 23.193 1.00 0.00 H ATOM 1647 N LEU A 174 -5.962 14.500 20.073 1.00 6.15 N ATOM 1648 CA LEU A 174 -6.155 13.626 18.924 1.00 6.60 C ATOM 1649 C LEU A 174 -7.569 13.752 18.363 1.00 5.90 C ATOM 1650 O LEU A 174 -7.746 13.941 17.145 1.00 6.09 O ATOM 1651 CB LEU A 174 -5.890 12.180 19.359 1.00 6.26 C ATOM 1652 CG LEU A 174 -6.296 11.073 18.367 1.00 6.28 C ATOM 1653 CD1 LEU A 174 -5.472 11.088 17.123 1.00 6.89 C ATOM 1654 CD2 LEU A 174 -6.233 9.756 19.082 1.00 7.18 C ATOM 1655 H LEU A 174 -5.653 14.084 20.975 1.00 0.00 H ATOM 1656 N TYR A 175 -8.573 13.658 19.220 1.00 6.13 N ATOM 1657 CA TYR A 175 -9.946 13.758 18.720 1.00 6.37 C ATOM 1658 C TYR A 175 -10.238 15.114 18.128 1.00 6.47 C ATOM 1659 O TYR A 175 -10.915 15.235 17.113 1.00 6.88 O ATOM 1660 CB TYR A 175 -10.933 13.433 19.830 1.00 6.80 C ATOM 1661 CG TYR A 175 -10.900 11.978 20.354 1.00 6.04 C ATOM 1662 CD1 TYR A 175 -10.627 10.884 19.538 1.00 6.95 C ATOM 1663 CD2 TYR A 175 -11.217 11.742 21.660 1.00 6.91 C ATOM 1664 CE1 TYR A 175 -10.698 9.601 20.025 1.00 6.65 C ATOM 1665 CE2 TYR A 175 -11.276 10.452 22.173 1.00 6.72 C ATOM 1666 CZ TYR A 175 -11.050 9.384 21.339 1.00 6.27 C ATOM 1667 OH TYR A 175 -11.113 8.121 21.889 1.00 7.10 O ATOM 1668 HH TYR A 175 -10.933 7.447 21.187 1.00 0.00 H ATOM 1669 H TYR A 175 -8.390 13.515 20.234 1.00 0.00 H ATOM 1670 N ARG A 176 -9.716 16.199 18.762 1.00 7.06 N ATOM 1671 CA ARG A 176 -9.966 17.510 18.169 1.00 7.66 C ATOM 1672 C ARG A 176 -9.244 17.666 16.846 1.00 6.88 C ATOM 1673 O ARG A 176 -9.812 18.250 15.901 1.00 7.57 O ATOM 1674 CB ARG A 176 -9.646 18.597 19.197 1.00 8.70 C ATOM 1675 CG ARG A 176 -10.596 18.577 20.337 1.00 17.25 C ATOM 1676 CD ARG A 176 -10.489 19.890 21.076 1.00 18.55 C ATOM 1677 NE ARG A 176 -9.235 19.857 21.843 1.00 29.40 N ATOM 1678 CZ ARG A 176 -9.134 19.430 23.102 1.00 23.21 C ATOM 1679 NH1 ARG A 176 -10.251 19.033 23.701 1.00 23.09 N ATOM 1680 NH2 ARG A 176 -7.955 19.384 23.711 1.00 22.48 N ATOM 1681 HE ARG A 176 -8.369 20.189 21.372 1.00 0.00 H ATOM 1682 HH12 ARG A 176 -10.221 18.692 24.683 1.00 0.00 H ATOM 1683 HH11 ARG A 176 -11.155 19.063 23.188 1.00 0.00 H ATOM 1684 HH22 ARG A 176 -7.890 19.049 24.693 1.00 0.00 H ATOM 1685 HH21 ARG A 176 -7.097 19.683 23.206 1.00 0.00 H ATOM 1686 H ARG A 176 -9.160 16.099 19.635 1.00 0.00 H ATOM 1687 N PHE A 177 -8.026 17.114 16.718 1.00 6.98 N ATOM 1688 CA PHE A 177 -7.306 17.133 15.455 1.00 6.80 C ATOM 1689 C PHE A 177 -8.134 16.400 14.392 1.00 6.09 C ATOM 1690 O PHE A 177 -8.268 16.880 13.249 1.00 6.87 O ATOM 1691 CB PHE A 177 -5.917 16.483 15.656 1.00 7.08 C ATOM 1692 CG PHE A 177 -5.171 16.237 14.408 1.00 7.38 C ATOM 1693 CD1 PHE A 177 -4.417 17.230 13.800 1.00 8.94 C ATOM 1694 CD2 PHE A 177 -5.298 14.992 13.725 1.00 8.07 C ATOM 1695 CE1 PHE A 177 -3.776 16.967 12.605 1.00 11.35 C ATOM 1696 CE2 PHE A 177 -4.677 14.770 12.549 1.00 9.73 C ATOM 1697 CZ PHE A 177 -3.931 15.738 11.976 1.00 11.52 C ATOM 1698 H PHE A 177 -7.586 16.661 17.544 1.00 0.00 H ATOM 1699 N LEU A 178 -8.604 15.185 14.702 1.00 6.12 N ATOM 1700 CA LEU A 178 -9.378 14.427 13.746 1.00 6.32 C ATOM 1701 C LEU A 178 -10.685 15.135 13.382 1.00 7.10 C ATOM 1702 O LEU A 178 -11.065 15.098 12.200 1.00 8.08 O ATOM 1703 CB LEU A 178 -9.627 13.009 14.235 1.00 6.74 C ATOM 1704 CG LEU A 178 -8.360 12.155 14.339 1.00 7.21 C ATOM 1705 CD1 LEU A 178 -8.728 10.823 14.996 1.00 9.35 C ATOM 1706 CD2 LEU A 178 -7.660 11.945 13.009 1.00 8.17 C ATOM 1707 H LEU A 178 -8.410 14.783 15.641 1.00 0.00 H ATOM 1708 N ALA A 179 -11.331 15.791 14.326 1.00 7.23 N ATOM 1709 CA ALA A 179 -12.564 16.499 13.989 1.00 8.48 C ATOM 1710 C ALA A 179 -12.237 17.635 13.007 1.00 8.29 C ATOM 1711 O ALA A 179 -13.081 17.943 12.154 1.00 10.34 O ATOM 1712 CB ALA A 179 -13.265 16.979 15.269 1.00 10.57 C ATOM 1713 H ALA A 179 -10.967 15.804 15.300 1.00 0.00 H ATOM 1714 N HIS A 180 -11.120 18.301 13.170 1.00 7.73 N ATOM 1715 CA HIS A 180 -10.800 19.372 12.221 1.00 8.26 C ATOM 1716 C HIS A 180 -10.496 18.829 10.842 1.00 7.99 C ATOM 1717 O HIS A 180 -10.820 19.474 9.820 1.00 10.74 O ATOM 1718 CB HIS A 180 -9.623 20.174 12.760 1.00 10.47 C ATOM 1719 CG HIS A 180 -9.263 21.284 11.844 1.00 12.82 C ATOM 1720 ND1 HIS A 180 -9.996 22.425 11.767 1.00 17.24 N ATOM 1721 CD2 HIS A 180 -8.217 21.423 10.936 1.00 15.76 C ATOM 1722 CE1 HIS A 180 -9.466 23.222 10.866 1.00 17.43 C ATOM 1723 NE2 HIS A 180 -8.358 22.612 10.323 1.00 15.56 N ATOM 1724 H HIS A 180 -10.476 18.075 13.954 1.00 0.00 H ATOM 1725 N HIS A 181 -9.875 17.675 10.754 1.00 6.74 N ATOM 1726 CA HIS A 181 -9.292 17.201 9.516 1.00 7.36 C ATOM 1727 C HIS A 181 -10.046 16.111 8.788 1.00 7.28 C ATOM 1728 O HIS A 181 -9.681 15.799 7.669 1.00 9.49 O ATOM 1729 CB HIS A 181 -7.849 16.691 9.762 1.00 8.54 C ATOM 1730 CG HIS A 181 -6.846 17.753 10.112 1.00 9.04 C ATOM 1731 ND1 HIS A 181 -6.657 18.267 11.388 1.00 10.86 N ATOM 1732 CD2 HIS A 181 -6.008 18.507 9.287 1.00 13.32 C ATOM 1733 CE1 HIS A 181 -5.735 19.245 11.331 1.00 12.52 C ATOM 1734 NE2 HIS A 181 -5.308 19.365 10.110 1.00 13.93 N ATOM 1735 H HIS A 181 -9.799 17.080 11.604 1.00 0.00 H ATOM 1736 N SER A 182 -11.064 15.498 9.413 1.00 6.81 N ATOM 1737 CA SER A 182 -11.651 14.292 8.819 1.00 7.11 C ATOM 1738 C SER A 182 -13.186 14.322 8.837 1.00 7.10 C ATOM 1739 O SER A 182 -13.803 14.198 9.901 1.00 7.37 O ATOM 1740 CB SER A 182 -11.153 13.056 9.616 1.00 7.55 C ATOM 1741 OG SER A 182 -11.887 11.865 9.302 1.00 7.59 O ATOM 1742 HG SER A 182 -11.791 11.664 8.337 1.00 0.00 H ATOM 1743 H SER A 182 -11.433 15.875 10.310 1.00 0.00 H ATOM 1744 N PRO A 183 -13.829 14.441 7.661 1.00 7.13 N ATOM 1745 CA PRO A 183 -15.298 14.325 7.616 1.00 7.43 C ATOM 1746 C PRO A 183 -15.748 12.946 8.099 1.00 7.21 C ATOM 1747 O PRO A 183 -16.846 12.884 8.697 1.00 8.18 O ATOM 1748 CB PRO A 183 -15.646 14.560 6.137 1.00 8.96 C ATOM 1749 CG PRO A 183 -14.353 14.340 5.383 1.00 10.02 C ATOM 1750 CD PRO A 183 -13.252 14.772 6.336 1.00 7.70 C ATOM 1751 N TYR A 184 -15.032 11.883 7.849 1.00 6.77 N ATOM 1752 CA TYR A 184 -15.443 10.552 8.351 1.00 7.06 C ATOM 1753 C TYR A 184 -15.527 10.561 9.873 1.00 6.59 C ATOM 1754 O TYR A 184 -16.498 10.081 10.479 1.00 7.18 O ATOM 1755 CB TYR A 184 -14.477 9.506 7.834 1.00 7.58 C ATOM 1756 CG TYR A 184 -14.790 8.099 8.290 1.00 7.40 C ATOM 1757 CD1 TYR A 184 -14.416 7.665 9.540 1.00 7.83 C ATOM 1758 CD2 TYR A 184 -15.460 7.199 7.465 1.00 7.83 C ATOM 1759 CE1 TYR A 184 -14.691 6.353 9.989 1.00 8.22 C ATOM 1760 CE2 TYR A 184 -15.727 5.928 7.864 1.00 8.43 C ATOM 1761 CZ TYR A 184 -15.346 5.493 9.117 1.00 7.78 C ATOM 1762 OH TYR A 184 -15.525 4.191 9.492 1.00 9.45 O ATOM 1763 HH TYR A 184 -15.195 4.067 10.417 1.00 0.00 H ATOM 1764 H TYR A 184 -14.160 11.973 7.289 1.00 0.00 H ATOM 1765 N PHE A 185 -14.469 11.101 10.503 1.00 6.33 N ATOM 1766 CA PHE A 185 -14.465 11.171 11.958 1.00 6.75 C ATOM 1767 C PHE A 185 -15.634 12.051 12.465 1.00 7.13 C ATOM 1768 O PHE A 185 -16.328 11.681 13.389 1.00 7.62 O ATOM 1769 CB PHE A 185 -13.137 11.689 12.468 1.00 7.34 C ATOM 1770 CG PHE A 185 -13.054 11.725 13.967 1.00 6.52 C ATOM 1771 CD1 PHE A 185 -12.702 10.603 14.677 1.00 8.32 C ATOM 1772 CD2 PHE A 185 -13.297 12.886 14.658 1.00 7.81 C ATOM 1773 CE1 PHE A 185 -12.585 10.650 16.087 1.00 9.54 C ATOM 1774 CE2 PHE A 185 -13.213 12.941 16.030 1.00 8.56 C ATOM 1775 CZ PHE A 185 -12.876 11.812 16.752 1.00 8.56 C ATOM 1776 H PHE A 185 -13.662 11.465 9.957 1.00 0.00 H ATOM 1777 N ARG A 186 -15.823 13.230 11.842 1.00 7.70 N ATOM 1778 CA ARG A 186 -16.937 14.091 12.269 1.00 8.03 C ATOM 1779 C ARG A 186 -18.265 13.369 12.189 1.00 7.82 C ATOM 1780 O ARG A 186 -19.113 13.498 13.091 1.00 9.16 O ATOM 1781 CB ARG A 186 -16.989 15.378 11.429 1.00 7.96 C ATOM 1782 CG ARG A 186 -15.857 16.339 11.711 1.00 7.87 C ATOM 1783 CD ARG A 186 -16.052 17.697 11.016 1.00 8.55 C ATOM 1784 NE ARG A 186 -16.003 17.660 9.558 1.00 8.28 N ATOM 1785 CZ ARG A 186 -14.929 17.838 8.828 1.00 7.89 C ATOM 1786 NH1 ARG A 186 -13.715 17.935 9.363 1.00 9.45 N ATOM 1787 NH2 ARG A 186 -15.021 17.924 7.483 1.00 10.49 N ATOM 1788 HE ARG A 186 -16.895 17.477 9.056 1.00 0.00 H ATOM 1789 HH12 ARG A 186 -12.887 18.076 8.750 1.00 0.00 H ATOM 1790 HH11 ARG A 186 -13.594 17.870 10.394 1.00 0.00 H ATOM 1791 HH22 ARG A 186 -14.164 18.065 6.911 1.00 0.00 H ATOM 1792 HH21 ARG A 186 -15.949 17.849 7.019 1.00 0.00 H ATOM 1793 H ARG A 186 -15.191 13.527 11.071 1.00 0.00 H ATOM 1794 N SER A 187 -18.492 12.632 11.094 1.00 7.96 N ATOM 1795 CA SER A 187 -19.802 12.029 10.927 1.00 8.88 C ATOM 1796 C SER A 187 -20.067 10.898 11.937 1.00 7.90 C ATOM 1797 O SER A 187 -21.215 10.671 12.277 1.00 10.36 O ATOM 1798 CB SER A 187 -19.851 11.563 9.484 1.00 10.20 C ATOM 1799 OG SER A 187 -20.891 10.700 9.248 1.00 11.46 O ATOM 1800 HG SER A 187 -20.881 10.425 8.297 1.00 0.00 H ATOM 1801 H SER A 187 -17.748 12.495 10.381 1.00 0.00 H ATOM 1802 N HIS A 188 -19.007 10.226 12.397 1.00 7.52 N ATOM 1803 CA HIS A 188 -19.142 9.072 13.294 1.00 7.62 C ATOM 1804 C HIS A 188 -18.513 9.343 14.642 1.00 7.32 C ATOM 1805 O HIS A 188 -18.143 8.385 15.355 1.00 7.77 O ATOM 1806 CB HIS A 188 -18.546 7.816 12.661 1.00 7.75 C ATOM 1807 CG HIS A 188 -19.047 7.547 11.282 1.00 7.05 C ATOM 1808 ND1 HIS A 188 -18.441 7.997 10.148 1.00 8.11 N ATOM 1809 CD2 HIS A 188 -20.193 6.903 10.844 1.00 7.56 C ATOM 1810 CE1 HIS A 188 -19.180 7.597 9.087 1.00 8.45 C ATOM 1811 NE2 HIS A 188 -20.251 6.928 9.492 1.00 7.74 N ATOM 1812 H HIS A 188 -18.055 10.531 12.110 1.00 0.00 H ATOM 1813 N ARG A 189 -18.401 10.617 15.068 1.00 7.49 N ATOM 1814 CA ARG A 189 -17.494 10.985 16.140 1.00 7.18 C ATOM 1815 C ARG A 189 -17.848 10.264 17.456 1.00 7.83 C ATOM 1816 O ARG A 189 -16.925 9.701 18.082 1.00 7.96 O ATOM 1817 CB ARG A 189 -17.496 12.498 16.306 1.00 8.28 C ATOM 1818 CG ARG A 189 -16.610 12.933 17.468 1.00 8.92 C ATOM 1819 CD ARG A 189 -16.370 14.426 17.422 1.00 9.74 C ATOM 1820 NE ARG A 189 -15.396 14.815 18.461 1.00 10.19 N ATOM 1821 CZ ARG A 189 -14.911 16.027 18.672 1.00 11.44 C ATOM 1822 NH1 ARG A 189 -15.339 17.042 17.898 1.00 12.77 N ATOM 1823 NH2 ARG A 189 -14.025 16.196 19.648 1.00 13.41 N ATOM 1824 HE ARG A 189 -15.057 14.060 19.090 1.00 0.00 H ATOM 1825 HH12 ARG A 189 -14.969 18.002 18.048 1.00 0.00 H ATOM 1826 HH11 ARG A 189 -16.039 16.866 17.150 1.00 0.00 H ATOM 1827 HH22 ARG A 189 -13.629 17.140 19.833 1.00 0.00 H ATOM 1828 HH21 ARG A 189 -13.727 15.385 20.226 1.00 0.00 H ATOM 1829 H ARG A 189 -18.979 11.355 14.617 1.00 0.00 H ATOM 1830 N ALA A 190 -19.089 10.342 17.913 1.00 8.22 N ATOM 1831 CA ALA A 190 -19.373 9.763 19.225 1.00 10.14 C ATOM 1832 C ALA A 190 -19.073 8.294 19.246 1.00 9.11 C ATOM 1833 O ALA A 190 -18.536 7.765 20.258 1.00 10.28 O ATOM 1834 CB ALA A 190 -20.835 10.103 19.614 1.00 11.73 C ATOM 1835 H ALA A 190 -19.838 10.801 17.356 1.00 0.00 H ATOM 1836 N ALA A 191 -19.462 7.573 18.195 1.00 8.56 N ATOM 1837 CA ALA A 191 -19.225 6.181 18.155 1.00 9.29 C ATOM 1838 C ALA A 191 -17.747 5.843 18.158 1.00 8.20 C ATOM 1839 O ALA A 191 -17.311 4.898 18.855 1.00 9.58 O ATOM 1840 CB ALA A 191 -19.915 5.538 16.946 1.00 10.04 C ATOM 1841 H ALA A 191 -19.943 8.038 17.399 1.00 0.00 H ATOM 1842 N ILE A 192 -16.952 6.552 17.365 1.00 7.63 N ATOM 1843 CA ILE A 192 -15.542 6.273 17.291 1.00 7.34 C ATOM 1844 C ILE A 192 -14.883 6.589 18.637 1.00 7.54 C ATOM 1845 O ILE A 192 -14.038 5.813 19.134 1.00 7.75 O ATOM 1846 CB ILE A 192 -14.878 7.077 16.161 1.00 7.45 C ATOM 1847 CG1 ILE A 192 -15.367 6.580 14.796 1.00 8.39 C ATOM 1848 CG2 ILE A 192 -13.344 6.961 16.270 1.00 8.00 C ATOM 1849 CD1 ILE A 192 -14.934 7.455 13.656 1.00 10.18 C ATOM 1850 H ILE A 192 -17.354 7.319 16.790 1.00 0.00 H ATOM 1851 N GLU A 193 -15.251 7.696 19.263 1.00 7.66 N ATOM 1852 CA GLU A 193 -14.672 8.041 20.563 1.00 8.47 C ATOM 1853 C GLU A 193 -15.007 6.985 21.612 1.00 8.72 C ATOM 1854 O GLU A 193 -14.152 6.623 22.422 1.00 9.57 O ATOM 1855 CB GLU A 193 -15.124 9.439 21.016 1.00 9.16 C ATOM 1856 CG GLU A 193 -14.491 10.533 20.162 1.00 9.19 C ATOM 1857 CD GLU A 193 -14.703 11.952 20.648 1.00 10.53 C ATOM 1858 OE1 GLU A 193 -15.279 12.165 21.704 1.00 13.29 O ATOM 1859 OE2 GLU A 193 -14.202 12.892 19.994 1.00 11.50 O ATOM 1860 H GLU A 193 -15.956 8.325 18.828 1.00 0.00 H ATOM 1861 N HIS A 194 -16.240 6.448 21.606 1.00 9.33 N ATOM 1862 CA HIS A 194 -16.552 5.377 22.529 1.00 10.73 C ATOM 1863 C HIS A 194 -15.724 4.150 22.323 1.00 10.56 C ATOM 1864 O HIS A 194 -15.233 3.546 23.261 1.00 12.28 O ATOM 1865 CB HIS A 194 -18.043 5.065 22.450 1.00 14.22 C ATOM 1866 CG HIS A 194 -18.493 4.169 23.474 1.00 22.31 C ATOM 1867 ND1 HIS A 194 -18.626 2.791 23.308 1.00 29.60 N ATOM 1868 CD2 HIS A 194 -18.738 4.454 24.780 1.00 28.02 C ATOM 1869 CE1 HIS A 194 -19.060 2.245 24.488 1.00 25.49 C ATOM 1870 NE2 HIS A 194 -19.099 3.263 25.405 1.00 31.99 N ATOM 1871 H HIS A 194 -16.962 6.799 20.945 1.00 0.00 H ATOM 1872 N ALA A 195 -15.549 3.767 21.053 1.00 10.07 N ATOM 1873 CA ALA A 195 -14.900 2.547 20.702 1.00 10.67 C ATOM 1874 C ALA A 195 -13.403 2.612 20.989 1.00 10.18 C ATOM 1875 O ALA A 195 -12.756 1.595 21.184 1.00 13.03 O ATOM 1876 CB ALA A 195 -15.059 2.164 19.187 1.00 11.57 C ATOM 1877 H ALA A 195 -15.900 4.383 20.292 1.00 0.00 H ATOM 1878 N THR A 196 -12.831 3.809 20.980 1.00 8.19 N ATOM 1879 CA THR A 196 -11.378 3.999 21.091 1.00 8.12 C ATOM 1880 C THR A 196 -10.997 4.640 22.424 1.00 7.32 C ATOM 1881 O THR A 196 -9.876 5.102 22.590 1.00 7.49 O ATOM 1882 CB THR A 196 -10.865 4.857 19.954 1.00 7.65 C ATOM 1883 OG1 THR A 196 -11.440 6.170 19.973 1.00 6.83 O ATOM 1884 CG2 THR A 196 -11.043 4.184 18.604 1.00 8.15 C ATOM 1885 HG1 THR A 196 -12.424 6.099 19.889 1.00 0.00 H ATOM 1886 H THR A 196 -13.437 4.649 20.891 1.00 0.00 H ATOM 1887 N ALA A 197 -11.896 4.616 23.417 1.00 8.11 N ATOM 1888 CA ALA A 197 -11.753 5.438 24.623 1.00 8.13 C ATOM 1889 C ALA A 197 -10.481 5.151 25.407 1.00 8.00 C ATOM 1890 O ALA A 197 -9.889 4.033 25.386 1.00 8.38 O ATOM 1891 CB ALA A 197 -12.952 5.194 25.528 1.00 9.81 C ATOM 1892 H ALA A 197 -12.724 3.993 23.330 1.00 0.00 H ATOM 1893 N PHE A 198 -10.099 6.136 26.185 1.00 7.86 N ATOM 1894 CA PHE A 198 -8.861 6.133 26.937 1.00 8.50 C ATOM 1895 C PHE A 198 -8.772 4.968 27.930 1.00 8.76 C ATOM 1896 O PHE A 198 -7.635 4.479 28.200 1.00 9.57 O ATOM 1897 CB PHE A 198 -8.747 7.480 27.708 1.00 9.46 C ATOM 1898 CG PHE A 198 -7.441 7.654 28.472 1.00 8.35 C ATOM 1899 CD1 PHE A 198 -6.286 8.001 27.784 1.00 7.82 C ATOM 1900 CD2 PHE A 198 -7.410 7.497 29.876 1.00 9.32 C ATOM 1901 CE1 PHE A 198 -5.094 8.166 28.461 1.00 8.58 C ATOM 1902 CE2 PHE A 198 -6.233 7.666 30.539 1.00 10.19 C ATOM 1903 CZ PHE A 198 -5.055 8.021 29.849 1.00 9.44 C ATOM 1904 H PHE A 198 -10.720 6.966 26.266 1.00 0.00 H ATOM 1905 N ASP A 199 -9.886 4.538 28.496 1.00 9.45 N ATOM 1906 CA ASP A 199 -9.908 3.431 29.460 1.00 10.75 C ATOM 1907 C ASP A 199 -10.572 2.186 28.898 1.00 12.20 C ATOM 1908 O ASP A 199 -10.972 1.313 29.673 1.00 14.52 O ATOM 1909 CB ASP A 199 -10.575 3.859 30.780 1.00 16.66 C ATOM 1910 CG ASP A 199 -11.895 4.588 30.515 1.00 23.40 C ATOM 1911 OD1 ASP A 199 -12.394 4.831 29.374 1.00 29.36 O ATOM 1912 OD2 ASP A 199 -12.462 4.982 31.516 1.00 83.52 O ATOM 1913 H ASP A 199 -10.783 5.002 28.249 1.00 0.00 H ATOM 1914 N LYS A 200 -10.731 2.092 27.564 1.00 11.90 N ATOM 1915 CA LYS A 200 -11.493 1.019 26.983 1.00 13.26 C ATOM 1916 C LYS A 200 -11.058 -0.353 27.401 1.00 13.67 C ATOM 1917 O LYS A 200 -11.847 -1.287 27.603 1.00 16.43 O ATOM 1918 CB LYS A 200 -11.448 1.195 25.447 1.00 13.90 C ATOM 1919 CG LYS A 200 -12.406 0.244 24.691 1.00 16.58 C ATOM 1920 CD LYS A 200 -13.800 0.770 24.786 1.00 19.77 C ATOM 1921 CE LYS A 200 -14.721 -0.026 23.955 1.00 27.57 C ATOM 1922 NZ LYS A 200 -15.930 0.687 24.417 1.00 36.13 N ATOM 1923 HZ1 LYS A 200 -16.023 0.578 25.447 1.00 0.00 H ATOM 1924 HZ2 LYS A 200 -15.847 1.696 24.180 1.00 0.00 H ATOM 1925 HZ3 LYS A 200 -16.767 0.287 23.948 1.00 0.00 H ATOM 1926 H LYS A 200 -10.297 2.806 26.945 1.00 0.00 H ATOM 1927 N MET A 201 -9.766 -0.486 27.497 1.00 14.81 N ATOM 1928 CA MET A 201 -9.218 -1.796 27.665 1.00 17.73 C ATOM 1929 C MET A 201 -9.302 -2.119 29.220 1.00 26.39 C ATOM 1930 O MET A 201 -8.903 -3.281 29.627 1.00 96.37 O ATOM 1931 CB MET A 201 -7.838 -1.901 26.932 1.00 20.78 C ATOM 1932 CG MET A 201 -7.845 -1.574 25.375 1.00 19.82 C ATOM 1933 SD MET A 201 -9.041 -2.503 24.405 1.00 31.96 S ATOM 1934 CE MET A 201 -8.244 -4.105 24.518 1.00 21.93 C ATOM 1935 H MET A 201 -9.144 0.346 27.452 1.00 0.00 H TER 1936 MET A 201 HETATM 1937 O HOH 1 -1.218 0.698 34.013 1.00 18.20 O HETATM 1938 O HOH 2 -0.586 16.149 26.671 1.00 23.16 O HETATM 1939 O HOH 3 5.957 7.356 38.413 1.00 27.34 O HETATM 1940 O HOH 4 -6.277 18.175 25.202 1.00 25.58 O HETATM 1941 O HOH 5 -15.738 3.602 12.075 1.00 10.78 O HETATM 1942 O HOH 6 -14.183 6.762 29.166 1.00 30.72 O HETATM 1943 O HOH 7 7.646 14.078 28.746 1.00 37.29 O HETATM 1944 O HOH 8 15.160 14.077 2.555 1.00 27.72 O HETATM 1945 O HOH 9 -0.608 -2.506 -1.107 1.00 11.91 O HETATM 1946 O HOH 10 -8.007 18.769 26.628 1.00 22.95 O HETATM 1947 O HOH 11 -3.342 -1.882 26.148 1.00 22.36 O HETATM 1948 O HOH 12 -15.133 2.113 7.806 1.00 13.03 O HETATM 1949 O HOH 13 0.151 17.984 24.438 1.00 24.18 O HETATM 1950 O HOH 14 5.666 -10.703 4.759 1.00 17.95 O HETATM 1951 O HOH 15 -7.518 -14.479 18.550 1.00 25.81 O HETATM 1952 O HOH 16 6.005 -12.744 22.839 1.00 16.49 O HETATM 1953 O HOH 17 5.891 2.161 33.569 1.00 18.09 O HETATM 1954 O HOH 18 -11.742 13.706 2.854 1.00 9.18 O HETATM 1955 O HOH 19 -14.556 10.627 4.290 1.00 15.16 O HETATM 1956 O HOH 20 0.378 12.185 -4.893 1.00 9.48 O HETATM 1957 O HOH 21 -0.410 -6.188 0.625 1.00 9.73 O HETATM 1958 O HOH 22 -10.767 12.262 28.218 1.00 11.68 O HETATM 1959 O HOH 23 4.442 -2.831 -1.004 1.00 14.51 O HETATM 1960 O HOH 24 -0.099 22.006 21.467 1.00 46.59 O HETATM 1961 O HOH 25 -1.588 15.246 1.185 1.00 12.84 O HETATM 1962 O HOH 26 -3.162 -0.882 32.830 1.00 30.03 O HETATM 1963 O HOH 27 3.053 -10.733 25.924 1.00 9.02 O HETATM 1964 O HOH 28 7.299 19.312 3.988 1.00 24.48 O HETATM 1965 O HOH 29 19.016 8.401 5.958 1.00 20.78 O HETATM 1966 O HOH 30 -11.700 21.612 8.299 1.00 16.56 O HETATM 1967 O HOH 31 -11.961 8.659 3.155 1.00 11.75 O HETATM 1968 O HOH 32 -7.327 16.503 6.242 1.00 9.95 O HETATM 1969 O HOH 33 -15.533 -0.127 9.680 1.00 15.86 O HETATM 1970 O HOH 34 -10.072 -12.002 11.606 1.00 19.43 O HETATM 1971 O HOH 35 -5.273 -4.874 22.348 1.00 15.48 O HETATM 1972 O HOH 36 -5.874 11.234 0.590 1.00 7.40 O HETATM 1973 O HOH 37 -11.456 -7.755 15.752 1.00 17.87 O HETATM 1974 O HOH 38 11.542 10.522 -4.793 1.00 20.11 O HETATM 1975 O HOH 39 -5.608 15.832 31.104 1.00 23.84 O HETATM 1976 O HOH 40 0.434 -8.819 18.794 1.00 8.02 O HETATM 1977 O HOH 41 -18.916 2.739 19.592 1.00 18.71 O HETATM 1978 O HOH 42 14.154 -7.289 -1.722 1.00 11.34 O HETATM 1979 O HOH 43 3.426 20.367 4.162 1.00 24.87 O HETATM 1980 O HOH 44 -17.823 0.910 21.342 1.00 33.57 O HETATM 1981 O HOH 45 -3.926 16.934 3.290 1.00 16.51 O HETATM 1982 O HOH 46 3.308 14.202 36.498 1.00 23.66 O HETATM 1983 O HOH 47 -2.832 10.433 38.465 1.00 8.77 O HETATM 1984 O HOH 48 1.778 -11.251 22.106 1.00 9.85 O HETATM 1985 O HOH 49 -2.912 16.799 31.427 1.00 25.02 O HETATM 1986 O HOH 50 20.559 -10.323 -2.577 1.00 24.87 O HETATM 1987 O HOH 51 -17.468 17.871 5.975 1.00 24.26 O HETATM 1988 O HOH 52 6.643 11.114 -3.541 1.00 10.00 O HETATM 1989 O HOH 53 18.787 -6.536 -4.467 1.00 22.55 O HETATM 1990 O HOH 54 -18.705 17.211 8.592 1.00 29.56 O HETATM 1991 O HOH 55 -18.800 14.796 7.612 1.00 22.29 O HETATM 1992 O HOH 56 1.447 -2.929 26.431 1.00 25.40 O HETATM 1993 O HOH 57 6.711 0.454 29.605 1.00 19.45 O HETATM 1994 O HOH 58 21.503 -11.459 0.185 1.00 27.40 O HETATM 1995 O HOH 59 -12.012 18.589 7.068 1.00 11.92 O HETATM 1996 O HOH 60 -12.529 8.710 28.577 1.00 17.14 O HETATM 1997 O HOH 61 10.669 -5.857 -4.491 1.00 8.25 O HETATM 1998 O HOH 62 -21.409 11.613 16.548 1.00 57.19 O HETATM 1999 O HOH 63 -7.403 16.622 29.437 1.00 30.36 O HETATM 2000 O HOH 64 -4.878 17.742 5.914 1.00 15.55 O HETATM 2001 O HOH 65 10.974 -12.464 26.689 1.00 30.09 O HETATM 2002 O HOH 66 -0.268 -0.924 28.271 1.00 15.04 O HETATM 2003 O HOH 67 4.645 -1.287 29.809 1.00 18.05 O HETATM 2004 O HOH 68 2.218 16.459 1.029 1.00 11.78 O HETATM 2005 O HOH 69 -9.194 -6.385 18.181 1.00 20.56 O HETATM 2006 O HOH 70 14.194 -9.959 -0.218 1.00 21.79 O HETATM 2007 O HOH 71 7.126 15.882 25.016 1.00 25.32 O HETATM 2008 O HOH 72 6.807 -10.710 1.942 1.00 14.16 O HETATM 2009 O HOH 73 2.988 24.037 16.057 1.00 29.45 O HETATM 2010 O HOH 74 1.988 -16.622 12.998 1.00 32.31 O HETATM 2011 O HOH 75 -4.373 3.317 34.419 1.00 23.90 O HETATM 2012 O HOH 76 -8.145 -6.578 20.570 1.00 30.35 O HETATM 2013 O HOH 77 -15.532 21.047 9.582 1.00 30.31 O HETATM 2014 O HOH 78 4.280 -13.117 25.144 1.00 14.70 O HETATM 2015 O HOH 79 -1.642 3.411 34.627 1.00 14.84 O HETATM 2016 O HOH 80 -14.079 21.330 7.063 1.00 21.90 O HETATM 2017 O HOH 81 -13.431 -8.425 11.534 1.00 32.92 O HETATM 2018 O HOH 82 3.077 -3.225 28.618 1.00 22.88 O HETATM 2019 O HOH 83 -14.569 8.215 3.492 1.00 25.35 O HETATM 2020 O HOH 84 1.886 -3.527 -0.081 1.00 22.05 O HETATM 2021 O HOH 85 5.181 -1.090 -5.048 1.00 23.25 O HETATM 2022 O HOH 86 4.857 0.757 -7.009 1.00 23.62 O HETATM 2023 O HOH 87 -11.395 -9.328 18.009 1.00 25.65 O HETATM 2024 O HOH 88 -8.212 -8.216 2.782 1.00 22.92 O HETATM 2025 O HOH 89 6.351 2.179 -8.813 1.00 24.52 O HETATM 2026 O HOH 90 6.070 4.582 -7.634 1.00 17.19 O HETATM 2027 O HOH 91 4.732 25.044 14.001 1.00 34.73 O HETATM 2028 O HOH 92 0.275 -12.411 18.114 1.00 11.12 O HETATM 2029 O HOH 93 -1.039 -0.547 -2.996 1.00 23.15 O HETATM 2030 O HOH 94 -16.773 1.055 11.835 1.00 17.95 O HETATM 2031 O HOH 95 -14.766 1.831 3.399 1.00 24.35 O HETATM 2032 O HOH 96 -17.894 2.446 15.527 1.00 36.71 O HETATM 2033 O HOH 97 -0.031 15.986 34.932 1.00 27.65 O HETATM 2034 O HOH 98 1.150 -14.931 18.760 1.00 22.04 O HETATM 2035 O HOH 99 -7.350 5.674 33.497 1.00 23.22 O HETATM 2036 O HOH 100 -13.392 12.669 27.508 1.00 25.50 O HETATM 2037 O HOH 101 11.013 12.566 -2.830 1.00 23.31 O HETATM 2038 O HOH 102 15.956 -9.084 -2.691 1.00 54.13 O HETATM 2039 O HOH 103 -14.971 10.027 28.054 1.00 28.50 O HETATM 2040 O HOH 104 8.453 13.864 -0.091 1.00 21.69 O HETATM 2041 O HOH 105 5.236 7.309 20.029 1.00 7.08 O HETATM 2042 O HOH 106 -5.089 4.459 29.430 1.00 9.61 O HETATM 2043 O HOH 107 9.512 2.539 18.791 1.00 8.33 O HETATM 2044 O HOH 108 11.872 -6.266 14.705 1.00 10.07 O HETATM 2045 O HOH 109 7.986 4.104 17.179 1.00 6.54 O HETATM 2046 O HOH 110 -7.530 2.306 17.341 1.00 15.28 O HETATM 2047 O HOH 111 0.571 13.779 33.579 1.00 9.74 O HETATM 2048 O HOH 112 14.634 -0.685 19.059 1.00 12.14 O HETATM 2049 O HOH 113 -13.672 8.569 24.394 1.00 11.58 O HETATM 2050 O HOH 114 10.320 -5.922 16.952 1.00 11.46 O HETATM 2051 O HOH 115 10.850 0.086 25.133 1.00 10.72 O HETATM 2052 O HOH 116 -4.016 8.264 25.160 1.00 7.95 O HETATM 2053 O HOH 117 -10.232 11.115 25.710 1.00 11.72 O HETATM 2054 O HOH 118 -0.125 5.188 33.131 1.00 11.87 O HETATM 2055 O HOH 119 12.288 2.736 21.115 1.00 11.48 O HETATM 2056 O HOH 120 -0.389 -13.156 15.374 1.00 11.77 O HETATM 2057 O HOH 121 2.249 -11.315 16.543 1.00 8.71 O HETATM 2058 O HOH 122 -11.478 8.668 26.034 1.00 10.30 O HETATM 2059 O HOH 123 11.280 12.850 12.897 1.00 11.31 O HETATM 2060 O HOH 124 -19.009 15.622 14.821 1.00 14.88 O HETATM 2061 O HOH 125 12.121 9.786 27.046 1.00 23.10 O HETATM 2062 O HOH 126 13.551 -10.372 4.295 1.00 16.64 O HETATM 2063 O HOH 127 -12.346 12.829 24.835 1.00 13.88 O HETATM 2064 O HOH 128 11.446 2.573 23.868 1.00 11.34 O HETATM 2065 O HOH 129 6.946 4.028 -5.094 1.00 10.30 O HETATM 2066 O HOH 130 3.387 5.327 -2.619 1.00 15.08 O HETATM 2067 O HOH 131 -1.660 -3.156 23.762 1.00 11.71 O HETATM 2068 O HOH 132 8.696 -8.485 8.650 1.00 14.11 O HETATM 2069 O HOH 133 12.626 -9.505 22.945 1.00 15.86 O HETATM 2070 O HOH 134 -3.121 -2.085 21.594 1.00 10.64 O HETATM 2071 O HOH 135 5.855 -9.481 11.303 1.00 12.46 O HETATM 2072 O HOH 136 8.973 4.260 -2.524 1.00 49.64 O HETATM 2073 O HOH 137 15.387 -3.045 20.778 1.00 13.62 O HETATM 2074 O HOH 138 0.557 22.806 16.207 1.00 21.15 O HETATM 2075 O HOH 139 -11.369 16.582 22.173 1.00 22.64 O HETATM 2076 O HOH 140 11.462 -9.815 11.145 1.00 15.43 O HETATM 2077 O HOH 141 15.960 2.933 15.410 1.00 14.36 O HETATM 2078 O HOH 142 6.285 -10.792 13.676 1.00 17.68 O HETATM 2079 O HOH 143 6.195 -7.604 8.101 1.00 24.37 O HETATM 2080 O HOH 144 -5.667 19.169 18.678 1.00 14.65 O HETATM 2081 O HOH 145 -13.742 0.697 13.693 1.00 14.71 O HETATM 2082 O HOH 146 13.204 -4.306 13.316 1.00 16.38 O HETATM 2083 O HOH 147 -16.880 17.192 15.528 1.00 19.64 O HETATM 2084 O HOH 148 -1.378 19.950 11.436 1.00 17.39 O HETATM 2085 O HOH 149 -5.594 4.081 32.164 1.00 21.42 O HETATM 2086 O HOH 150 -14.367 11.234 24.121 1.00 14.78 O HETATM 2087 O HOH 151 4.917 3.318 -3.396 1.00 12.82 O HETATM 2088 O HOH 152 9.186 14.784 23.495 1.00 17.01 O HETATM 2089 O HOH 153 5.848 -0.931 -2.411 1.00 16.59 O HETATM 2090 O HOH 154 11.811 5.223 28.888 1.00 19.05 O HETATM 2091 O HOH 155 9.023 -0.805 28.169 1.00 18.95 O HETATM 2092 O HOH 156 6.342 1.721 -1.645 1.00 19.13 O HETATM 2093 O HOH 157 12.256 4.455 -2.903 1.00 14.76 O HETATM 2094 O HOH 158 13.705 -8.001 15.819 1.00 23.29 O HETATM 2095 O HOH 159 12.078 14.561 15.096 1.00 17.93 O HETATM 2096 O HOH 160 -6.258 20.437 16.234 1.00 23.77 O HETATM 2097 O HOH 161 -11.813 20.184 16.148 1.00 17.05 O HETATM 2098 O HOH 162 -13.675 19.477 18.136 1.00 22.88 O HETATM 2099 O HOH 163 14.290 -7.210 18.731 1.00 27.13 O HETATM 2100 O HOH 164 -18.769 9.088 22.669 1.00 21.23 O HETATM 2101 O HOH 165 -4.472 -1.005 24.024 1.00 26.96 O HETATM 2102 O HOH 166 13.739 -9.252 25.562 1.00 25.27 O HETATM 2103 O HOH 167 11.376 -11.834 23.432 1.00 58.80 O HETATM 2104 O HOH 168 9.060 -10.734 10.301 1.00 22.01 O HETATM 2105 O HOH 169 -4.124 1.075 -0.425 1.00 46.52 O HETATM 2106 O HOH 170 -12.390 2.461 4.126 1.00 21.43 O HETATM 2107 O HOH 171 14.782 -11.834 6.355 1.00 30.93 O HETATM 2108 O HOH 172 16.139 -4.233 16.315 1.00 31.76 O HETATM 2109 O HOH 173 0.764 23.176 18.864 1.00 39.28 O HETATM 2110 O HOH 174 -16.261 19.351 14.157 1.00 26.37 O HETATM 2111 O HOH 175 15.037 9.076 23.389 1.00 24.77 O HETATM 2112 O HOH 176 -1.365 -15.705 14.745 1.00 19.49 O HETATM 2113 O HOH 177 -14.913 14.747 22.414 1.00 28.20 O HETATM 2114 O HOH 178 8.037 23.027 15.350 1.00 46.06 O HETATM 2115 O HOH 179 -12.466 15.188 23.685 1.00 25.66 O HETATM 2116 O HOH 180 12.351 6.835 26.680 1.00 28.04 O HETATM 2117 O HOH 181 11.201 -1.216 29.459 1.00 65.64 O HETATM 2118 O HOH 182 8.340 18.398 21.834 1.00 32.66 O HETATM 2119 O HOH 183 11.346 21.186 12.934 1.00 71.02 O HETATM 2120 O HOH 184 3.125 -15.305 20.804 1.00 25.37 O HETATM 2121 O HOH 185 -12.710 18.494 20.707 1.00 21.39 O HETATM 2122 O HOH 186 11.343 -11.906 3.469 1.00 21.14 O HETATM 2123 O HOH 187 -13.121 -6.430 7.703 1.00 22.17 O HETATM 2124 O HOH 188 12.643 4.230 25.564 1.00 33.06 O HETATM 2125 O HOH 189 10.511 14.365 26.841 1.00 30.04 O HETATM 2126 O HOH 190 -13.014 -9.022 13.774 1.00 55.28 O HETATM 2127 O HOH 191 -13.305 -0.911 21.156 1.00 25.08 O HETATM 2128 O HOH 192 -6.647 -0.753 3.774 1.00 52.56 O HETATM 2129 O HOH 193 15.931 6.530 -3.020 1.00 33.53 O HETATM 2130 O HOH 194 -15.704 7.782 26.140 1.00 25.99 O HETATM 2131 O HOH 195 14.389 -2.485 25.174 1.00 23.32 O HETATM 2132 O HOH 196 -14.875 3.043 16.070 1.00 20.38 O HETATM 2133 O HOH 197 8.428 1.999 -2.230 1.00 22.17 O HETATM 2134 O HOH 198 10.769 12.478 -0.100 1.00 28.86 O HETATM 2135 O HOH 199 -7.536 -5.727 2.931 1.00 18.84 O HETATM 2136 O HOH 200 19.577 -3.100 -3.625 1.00 33.14 O HETATM 2137 O HOH 201 -18.272 11.127 6.066 1.00 39.03 O HETATM 2138 O HOH 202 -15.965 3.650 26.016 1.00 27.00 O HETATM 2139 O HOH 203 15.174 -10.459 2.294 1.00 23.61 O HETATM 2140 O HOH 204 0.807 4.432 -3.041 1.00 27.07 O HETATM 2141 O HOH 205 13.066 -0.637 26.471 1.00 25.93 O HETATM 2142 O HOH 206 -7.069 -3.807 4.885 1.00 12.73 O HETATM 2143 O HOH 207 12.299 -6.882 26.220 1.00 24.94 O HETATM 2144 O HOH 208 -20.219 14.801 17.335 1.00 25.80 O HETATM 2145 O HOH 209 14.392 11.716 10.078 1.00 24.21 O HETATM 2146 O HOH 210 -3.324 20.695 8.884 1.00 25.01 O HETATM 2147 O HOH 211 16.455 6.827 24.413 1.00 27.30 O HETATM 2148 O HOH 212 -5.040 4.735 -0.503 1.00 36.19 O HETATM 2149 O HOH 213 14.028 11.950 5.924 1.00 27.17 O HETATM 2150 O HOH 214 -13.464 -2.983 17.130 1.00 26.80 O HETATM 2151 O HOH 215 11.518 2.018 28.186 1.00 28.08 O HETATM 2152 O HOH 216 14.892 -11.750 17.038 1.00 35.49 O HETATM 2153 O HOH 217 -14.391 3.046 28.179 1.00 33.24 O HETATM 2154 O HOH 218 11.485 6.245 32.203 1.00 34.87 O HETATM 2155 O HOH 219 5.906 -12.261 7.647 1.00 34.94 O HETATM 2156 O HOH 220 9.748 17.441 6.075 1.00 22.16 O HETATM 2157 O HOH 221 4.971 -12.988 14.707 1.00 23.82 O HETATM 2158 O HOH 222 3.325 1.966 -5.142 1.00 25.49 O HETATM 2159 O HOH 223 16.302 -5.161 19.036 1.00 26.91 O HETATM 2160 O HOH 224 -1.155 21.755 9.477 1.00 29.13 O HETATM 2161 O HOH 225 -3.556 -16.273 8.231 1.00 27.36 O HETATM 2162 O HOH 226 16.390 -2.369 23.327 1.00 29.21 O HETATM 2163 O HOH 227 -14.207 0.309 16.534 1.00 25.59 O HETATM 2164 O HOH 228 9.242 -12.244 5.259 1.00 28.38 O HETATM 2165 O HOH 229 8.368 -12.643 17.087 1.00 34.66 O HETATM 2166 O HOH 230 -17.962 11.795 21.970 1.00 28.47 O HETATM 2167 O HOH 231 15.799 -10.116 8.329 1.00 35.89 O HETATM 2168 O HOH 232 12.093 14.619 1.999 1.00 30.08 O HETATM 2169 O HOH 233 -8.070 22.411 16.313 1.00 28.69 O HETATM 2170 O HOH 234 19.993 8.542 16.233 1.00 9.81 O HETATM 2171 O HOH 235 24.694 -3.483 2.779 1.00 21.35 O HETATM 2172 O HOH 236 20.377 3.720 20.851 1.00 26.08 O HETATM 2173 O HOH 237 25.275 3.094 5.343 1.00 15.48 O HETATM 2174 O HOH 238 23.235 4.199 13.244 1.00 12.01 O HETATM 2175 O HOH 239 24.040 -2.281 9.714 1.00 21.78 O HETATM 2176 O HOH 240 18.753 12.809 5.557 1.00 30.36 O HETATM 2177 O HOH 241 23.677 3.464 15.795 1.00 47.99 O HETATM 2178 O HOH 242 14.728 1.813 20.213 1.00 14.20 O HETATM 2179 O HOH 243 12.021 13.157 17.476 1.00 10.52 O HETATM 2180 O HOH 244 14.653 12.833 19.802 1.00 22.26 O HETATM 2181 O HOH 245 6.362 17.200 23.205 1.00 40.71 O HETATM 2182 O HOH 246 16.073 10.738 21.387 1.00 24.96 O HETATM 2183 O HOH 247 20.285 6.969 2.854 1.00 24.34 O HETATM 2184 O HOH 248 15.448 -0.714 16.363 1.00 18.14 O HETATM 2185 O HOH 249 21.702 -0.341 13.421 1.00 25.28 O HETATM 2186 O HOH 250 16.158 2.043 22.501 1.00 27.48 O HETATM 2187 C1 UNN A 251 -6.550 -2.773 18.734 1.00 0.07 C HETATM 2188 C2 UNN A 251 -7.374 -3.132 19.809 1.00 -0.00 C HETATM 2189 C3 UNN A 251 -7.376 -2.329 20.970 1.00 0.03 C HETATM 2190 N4 UNN A 251 -6.576 -1.246 21.050 1.00 -0.26 N HETATM 2191 C5 UNN A 251 -5.768 -0.980 19.920 1.00 0.15 C HETATM 2192 N6 UNN A 251 -5.784 -1.700 18.818 1.00 -0.25 N HETATM 2193 C9 UNN A 251 -4.968 0.208 20.097 1.00 0.06 C HETATM 2194 N10 UNN A 251 -4.782 0.955 21.038 1.00 -0.33 N HETATM 2195 H16 UNN A 251 -4.166 1.747 20.939 1.00 0.14 H HETATM 2196 H15 UNN A 251 -4.417 0.495 19.203 1.00 0.12 H HETATM 2197 H2 UNN A 251 -8.024 -2.584 21.801 1.00 0.09 H HETATM 2198 H1 UNN A 251 -8.001 -4.014 19.750 1.00 0.08 H HETATM 2199 C7 UNN A 251 -6.434 -3.572 17.481 1.00 0.09 C HETATM 2200 N8 UNN A 251 -7.741 -3.690 16.789 1.00 -0.27 N HETATM 2201 C22 UNN A 251 -7.743 -4.374 15.631 1.00 0.20 C HETATM 2202 C14 UNN A 251 -9.009 -4.506 14.883 1.00 0.04 C HETATM 2203 C13 UNN A 251 -8.937 -5.045 13.580 1.00 -0.03 C HETATM 2204 C12 UNN A 251 -10.088 -5.198 12.841 1.00 0.06 C HETATM 2205 C11 UNN A 251 -11.343 -4.883 13.372 1.00 0.12 C HETATM 2206 C16 UNN A 251 -11.423 -4.333 14.622 1.00 -0.02 C HETATM 2207 C15 UNN A 251 -10.240 -4.129 15.354 1.00 -0.05 C HETATM 2208 H4 UNN A 251 -10.304 -3.656 16.327 1.00 0.07 H HETATM 2209 H5 UNN A 251 -12.384 -4.059 15.042 1.00 0.06 H HETATM 2210 O21 UNN A 251 -12.410 -5.099 12.553 1.00 -0.31 O HETATM 2211 C30 UNN A 251 -13.698 -5.006 13.184 1.00 0.06 C HETATM 2212 H9 UNN A 251 -14.485 -5.196 12.440 1.00 0.06 H HETATM 2213 H10 UNN A 251 -13.828 -3.998 13.606 1.00 0.06 H HETATM 2214 H11 UNN A 251 -13.767 -5.752 13.989 1.00 0.06 H HETATM 2215 C17 UNN A 251 -10.024 -5.720 11.404 1.00 0.12 C HETATM 2216 C18 UNN A 251 -9.456 -7.147 11.104 1.00 0.02 C HETATM 2217 C20 UNN A 251 -7.936 -6.977 10.843 1.00 -0.04 C HETATM 2218 C23 UNN A 251 -6.982 -7.531 11.674 1.00 -0.03 C HETATM 2219 C24 UNN A 251 -5.648 -7.363 11.370 1.00 0.07 C HETATM 2220 C25 UNN A 251 -5.207 -6.620 10.286 1.00 -0.01 C HETATM 2221 C26 UNN A 251 -6.184 -6.079 9.467 1.00 0.07 C HETATM 2222 C27 UNN A 251 -7.545 -6.236 9.732 1.00 -0.03 C HETATM 2223 H8 UNN A 251 -8.287 -5.787 9.082 1.00 0.09 H HETATM 2224 CL2 UNN A 251 -5.687 -5.155 8.078 1.00 -0.06 CL HETATM 2225 H7 UNN A 251 -4.152 -6.470 10.089 1.00 0.09 H HETATM 2226 CL1 UNN A 251 -4.438 -8.086 12.401 1.00 -0.06 CL HETATM 2227 H6 UNN A 251 -7.278 -8.091 12.554 1.00 0.09 H HETATM 2228 C31 UNN A 251 -9.742 -8.085 12.274 1.00 -0.08 C HETATM 2229 H17 UNN A 251 -10.829 -8.171 12.417 1.00 0.01 H HETATM 2230 H18 UNN A 251 -9.283 -7.681 13.188 1.00 0.01 H HETATM 2231 H19 UNN A 251 -9.320 -9.078 12.059 1.00 0.01 H HETATM 2232 C32 UNN A 251 -10.165 -7.685 9.816 1.00 -0.08 C HETATM 2233 H20 UNN A 251 -9.958 -7.008 8.974 1.00 0.01 H HETATM 2234 H21 UNN A 251 -11.250 -7.735 9.988 1.00 0.01 H HETATM 2235 H22 UNN A 251 -9.785 -8.690 9.581 1.00 0.01 H HETATM 2236 O19 UNN A 251 -10.349 -4.980 10.491 1.00 -0.35 O HETATM 2237 H3 UNN A 251 -7.980 -5.337 13.164 1.00 0.07 H HETATM 2238 O33 UNN A 251 -6.690 -4.845 15.178 1.00 -0.39 O HETATM 2239 H14 UNN A 251 -8.575 -3.283 17.163 1.00 0.19 H HETATM 2240 H12 UNN A 251 -6.070 -4.579 17.732 1.00 0.07 H HETATM 2241 H13 UNN A 251 -5.716 -3.080 16.808 1.00 0.07 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 2187 2188 2192 2199 CONECT 2188 2187 2189 2198 CONECT 2189 2188 2190 2197 CONECT 2190 2189 2191 CONECT 2191 2190 2192 2193 CONECT 2192 2187 2191 CONECT 2193 2191 2194 2196 CONECT 2194 2193 2195 CONECT 2195 2194 CONECT 2196 2193 CONECT 2197 2189 CONECT 2198 2188 CONECT 2199 2187 2200 2240 2241 CONECT 2200 2199 2201 2239 CONECT 2201 2200 2202 2238 CONECT 2202 2201 2203 2207 CONECT 2203 2202 2204 2237 CONECT 2204 2203 2205 2215 CONECT 2205 2204 2206 2210 CONECT 2206 2205 2207 2209 CONECT 2207 2202 2206 2208 CONECT 2208 2207 CONECT 2209 2206 CONECT 2210 2205 2211 CONECT 2211 2210 2212 2213 2214 CONECT 2212 2211 CONECT 2213 2211 CONECT 2214 2211 CONECT 2215 2204 2216 2236 CONECT 2216 2215 2217 2228 2232 CONECT 2217 2216 2218 2222 CONECT 2218 2217 2219 2227 CONECT 2219 2218 2220 2226 CONECT 2220 2219 2221 2225 CONECT 2221 2220 2222 2224 CONECT 2222 2217 2221 2223 CONECT 2223 2222 CONECT 2224 2221 CONECT 2225 2220 CONECT 2226 2219 CONECT 2227 2218 CONECT 2228 2216 2229 2230 2231 CONECT 2229 2228 CONECT 2230 2228 CONECT 2231 2228 CONECT 2232 2216 2233 2234 2235 CONECT 2233 2232 CONECT 2234 2232 CONECT 2235 2232 CONECT 2236 2215 CONECT 2237 2203 CONECT 2238 2201 CONECT 2239 2200 CONECT 2240 2199 CONECT 2241 2199 MASTER 0 0 0 0 0 0 0 0 2240 1 59 16 END
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Related entries of code: 4wx4
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4wx4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protease
Ligand Name
3VF
EC.Number
E.C.3.4.22.39
Resolution
1.03(Å)
Affinity (Kd/Ki/IC50)
IC50=0.0006uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Bioorg.Med.Chem.Lett. Vol. 25: pp. 438-443
Ligand Properties
Formula
C
2
4
H
2
2
Cl
2
N
4
O
3
Molecular Weight
485.362
Exact Mass
484.107
No. of atoms
55
No. of bonds
57
Polar Surface Area
105.03
LOGP Value
4.33 (
Computed with XLOGP3
)
5.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
COc1ccc(cc1C(=O)C(c1cc(Cl)cc(c1)Cl)(C)C)C(=O)NCc1ccnc(n1)C=N
InChI String
InChI=1S/C24H22Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-12,27H,13H2,1-3H3,(H,29,32)/b27-12+
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UniProtKB AC
UniProt accession number (AC):
B9A5C1
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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