Browse entries in the PDBbind-CN Database
HEADER 5MW6_COMPLEX COMPND 5MW6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 122 ASP SER GLN ILE GLN PHE THR ARG HIS ALA SER ASP VAL SEQRES 2 A 122 LEU LEU ASN LEU ASN ARG LEU ARG SER ARG ASP ILE LEU SEQRES 3 A 122 THR ASP VAL VAL ILE VAL VAL SER ARG GLU GLN PHE ARG SEQRES 4 A 122 ALA HIS LYS THR VAL LEU MET ALA CYS SER GLY LEU PHE SEQRES 5 A 122 TYR SER ILE PHE THR ASP GLN LEU LYS ARG ASN LEU SER SEQRES 6 A 122 VAL ILE ASN LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE SEQRES 7 A 122 ASN ILE LEU LEU ASP PHE MET TYR THR SER ARG LEU ASN SEQRES 8 A 122 LEU ARG GLU GLY ASN ILE MET ALA VAL MET ALA THR ALA SEQRES 9 A 122 MET TYR LEU GLN MET GLU HIS VAL VAL ASP THR CYS ARG SEQRES 10 A 122 LYS PHE ILE LYS ALA SEQRES 1 B 119 ILE GLN PHE THR ARG HIS ALA SER ASP VAL LEU LEU ASN SEQRES 2 B 119 LEU ASN ARG LEU ARG SER ARG ASP ILE LEU THR ASP VAL SEQRES 3 B 119 VAL ILE VAL VAL SER ARG GLU GLN PHE ARG ALA HIS LYS SEQRES 4 B 119 THR VAL LEU MET ALA CYS SER GLY LEU PHE TYR SER ILE SEQRES 5 B 119 PHE THR ASP GLN LEU LYS ARG ASN LEU SER VAL ILE ASN SEQRES 6 B 119 LEU ASP PRO GLU ILE ASN PRO GLU GLY PHE ASN ILE LEU SEQRES 7 B 119 LEU ASP PHE MET TYR THR SER ARG LEU ASN LEU ARG GLU SEQRES 8 B 119 GLY ASN ILE MET ALA VAL MET ALA THR ALA MET TYR LEU SEQRES 9 B 119 GLN MET GLU HIS VAL VAL ASP THR CYS ARG LYS PHE ILE SEQRES 10 B 119 LYS ALA HET RC A 0 35 ATOM 1 N ASP A 6 -0.575 7.327 31.622 1.00 40.57 N ATOM 2 CA ASP A 6 0.100 8.431 30.945 1.00 38.76 C ATOM 3 C ASP A 6 -0.645 8.903 29.701 1.00 38.95 C ATOM 4 O ASP A 6 -1.152 8.078 28.938 1.00 39.51 O ATOM 5 CB ASP A 6 1.511 8.000 30.492 1.00 39.95 C ATOM 6 CG ASP A 6 2.526 7.714 31.585 1.00 51.68 C ATOM 7 OD1 ASP A 6 2.112 7.301 32.690 1.00 54.60 O ATOM 8 OD2 ASP A 6 3.737 7.836 31.312 1.00 54.47 O ATOM 9 HN3 ASP A 6 -0.654 6.519 30.972 1.00 0.00 H ATOM 10 HN2 ASP A 6 -1.525 7.631 31.916 1.00 0.00 H ATOM 11 HN1 ASP A 6 -0.025 7.047 32.459 1.00 0.00 H ATOM 12 N SER A 7 -0.627 10.229 29.453 1.00 31.37 N ATOM 13 CA SER A 7 -1.141 10.839 28.225 1.00 28.94 C ATOM 14 C SER A 7 -0.073 10.605 27.155 1.00 30.33 C ATOM 15 O SER A 7 1.109 10.810 27.431 1.00 27.60 O ATOM 16 CB SER A 7 -1.375 12.332 28.427 1.00 30.88 C ATOM 17 OG SER A 7 -2.559 12.543 29.182 1.00 28.41 O ATOM 18 HG SER A 7 -2.701 13.515 29.307 1.00 0.00 H ATOM 19 H SER A 7 -0.224 10.856 30.178 1.00 0.00 H ATOM 20 N GLN A 8 -0.469 10.127 25.961 1.00 26.69 N ATOM 21 CA GLN A 8 0.488 9.808 24.899 1.00 25.68 C ATOM 22 C GLN A 8 0.251 10.700 23.696 1.00 27.12 C ATOM 23 O GLN A 8 -0.834 10.666 23.131 1.00 26.88 O ATOM 24 CB GLN A 8 0.388 8.321 24.480 1.00 27.70 C ATOM 25 CG GLN A 8 0.273 7.320 25.642 1.00 49.31 C ATOM 26 CD GLN A 8 0.021 5.888 25.213 1.00 74.34 C ATOM 27 OE1 GLN A 8 0.029 5.535 24.024 1.00 70.14 O ATOM 28 NE2 GLN A 8 -0.203 5.019 26.188 1.00 69.27 N ATOM 29 HE22 GLN A 8 -0.205 5.337 27.178 1.00 0.00 H ATOM 30 HE21 GLN A 8 -0.377 4.019 25.963 1.00 0.00 H ATOM 31 H GLN A 8 -1.484 9.980 25.787 1.00 0.00 H ATOM 32 N ILE A 9 1.251 11.510 23.319 1.00 21.78 N ATOM 33 CA ILE A 9 1.164 12.415 22.171 1.00 21.47 C ATOM 34 C ILE A 9 1.949 11.826 21.019 1.00 23.73 C ATOM 35 O ILE A 9 3.155 11.616 21.147 1.00 21.86 O ATOM 36 CB ILE A 9 1.629 13.879 22.480 1.00 24.63 C ATOM 37 CG1 ILE A 9 1.083 14.428 23.825 1.00 26.51 C ATOM 38 CG2 ILE A 9 1.316 14.832 21.311 1.00 24.29 C ATOM 39 CD1 ILE A 9 -0.322 14.272 24.091 1.00 37.65 C ATOM 40 H ILE A 9 2.133 11.495 23.870 1.00 0.00 H ATOM 41 N GLN A 10 1.270 11.590 19.888 1.00 21.11 N ATOM 42 CA GLN A 10 1.881 11.050 18.678 1.00 20.58 C ATOM 43 C GLN A 10 2.302 12.205 17.777 1.00 24.34 C ATOM 44 O GLN A 10 1.485 13.067 17.465 1.00 25.13 O ATOM 45 CB GLN A 10 0.872 10.139 17.933 1.00 22.71 C ATOM 46 CG GLN A 10 1.469 9.334 16.769 1.00 46.95 C ATOM 47 CD GLN A 10 2.488 8.300 17.195 1.00 67.00 C ATOM 48 OE1 GLN A 10 2.384 7.674 18.257 1.00 64.91 O ATOM 49 NE2 GLN A 10 3.488 8.082 16.356 1.00 58.98 N ATOM 50 HE22 GLN A 10 3.551 8.623 15.470 1.00 0.00 H ATOM 51 HE21 GLN A 10 4.211 7.370 16.583 1.00 0.00 H ATOM 52 H GLN A 10 0.252 11.803 19.872 1.00 0.00 H ATOM 53 N PHE A 11 3.582 12.239 17.380 1.00 19.94 N ATOM 54 CA PHE A 11 4.093 13.256 16.451 1.00 19.41 C ATOM 55 C PHE A 11 4.187 12.553 15.088 1.00 23.41 C ATOM 56 O PHE A 11 5.136 11.807 14.828 1.00 22.88 O ATOM 57 CB PHE A 11 5.447 13.820 16.939 1.00 19.83 C ATOM 58 CG PHE A 11 5.340 14.802 18.086 1.00 21.85 C ATOM 59 CD1 PHE A 11 4.961 14.379 19.357 1.00 24.88 C ATOM 60 CD2 PHE A 11 5.658 16.141 17.907 1.00 24.47 C ATOM 61 CE1 PHE A 11 4.882 15.283 20.420 1.00 26.51 C ATOM 62 CE2 PHE A 11 5.575 17.046 18.972 1.00 27.85 C ATOM 63 CZ PHE A 11 5.187 16.611 20.220 1.00 25.82 C ATOM 64 H PHE A 11 4.238 11.518 17.743 1.00 0.00 H ATOM 65 N THR A 12 3.154 12.732 14.245 1.00 21.07 N ATOM 66 CA THR A 12 3.050 12.000 12.971 1.00 21.27 C ATOM 67 C THR A 12 4.111 12.344 11.907 1.00 25.19 C ATOM 68 O THR A 12 4.295 11.543 10.989 1.00 25.25 O ATOM 69 CB THR A 12 1.651 12.124 12.382 1.00 28.44 C ATOM 70 OG1 THR A 12 1.415 13.494 12.066 1.00 28.77 O ATOM 71 CG2 THR A 12 0.567 11.574 13.330 1.00 29.28 C ATOM 72 HG1 THR A 12 0.508 13.591 11.681 1.00 0.00 H ATOM 73 H THR A 12 2.406 13.408 14.501 1.00 0.00 H ATOM 74 N ARG A 13 4.791 13.503 12.019 1.00 21.51 N ATOM 75 CA ARG A 13 5.849 13.897 11.068 1.00 20.55 C ATOM 76 C ARG A 13 7.247 13.612 11.645 1.00 21.81 C ATOM 77 O ARG A 13 8.234 13.825 10.948 1.00 21.18 O ATOM 78 CB ARG A 13 5.748 15.398 10.730 1.00 22.95 C ATOM 79 CG ARG A 13 4.476 15.802 9.978 1.00 39.35 C ATOM 80 CD ARG A 13 4.310 17.314 9.911 1.00 55.12 C ATOM 81 NE ARG A 13 4.277 17.929 11.243 1.00 70.00 N ATOM 82 CZ ARG A 13 4.086 19.224 11.474 1.00 89.98 C ATOM 83 NH1 ARG A 13 3.891 20.065 10.466 1.00 79.38 N ATOM 84 NH2 ARG A 13 4.081 19.687 12.718 1.00 79.62 N ATOM 85 HE ARG A 13 4.413 17.307 12.065 1.00 0.00 H ATOM 86 HH12 ARG A 13 3.742 21.077 10.654 1.00 0.00 H ATOM 87 HH11 ARG A 13 3.887 19.712 9.488 1.00 0.00 H ATOM 88 HH22 ARG A 13 3.931 20.701 12.895 1.00 0.00 H ATOM 89 HH21 ARG A 13 4.227 19.036 13.516 1.00 0.00 H ATOM 90 H ARG A 13 4.561 14.144 12.805 1.00 0.00 H ATOM 91 N HIS A 14 7.336 13.151 12.906 1.00 17.60 N ATOM 92 CA HIS A 14 8.626 12.927 13.571 1.00 15.62 C ATOM 93 C HIS A 14 9.546 11.969 12.813 1.00 19.64 C ATOM 94 O HIS A 14 10.709 12.314 12.545 1.00 19.93 O ATOM 95 CB HIS A 14 8.450 12.479 15.036 1.00 15.62 C ATOM 96 CG HIS A 14 9.760 12.208 15.719 1.00 17.66 C ATOM 97 ND1 HIS A 14 10.642 13.232 16.014 1.00 19.57 N ATOM 98 CD2 HIS A 14 10.320 11.032 16.083 1.00 18.26 C ATOM 99 CE1 HIS A 14 11.694 12.653 16.578 1.00 17.83 C ATOM 100 NE2 HIS A 14 11.551 11.331 16.632 1.00 17.44 N ATOM 101 H HIS A 14 6.460 12.946 13.428 1.00 0.00 H ATOM 102 N ALA A 15 9.040 10.774 12.481 1.00 18.64 N ATOM 103 CA ALA A 15 9.811 9.754 11.757 1.00 18.96 C ATOM 104 C ALA A 15 10.390 10.329 10.453 1.00 21.48 C ATOM 105 O ALA A 15 11.590 10.164 10.204 1.00 20.45 O ATOM 106 CB ALA A 15 8.936 8.546 11.466 1.00 20.64 C ATOM 107 H ALA A 15 8.058 10.559 12.747 1.00 0.00 H ATOM 108 N SER A 16 9.541 11.036 9.650 1.00 19.92 N ATOM 109 CA SER A 16 9.980 11.656 8.398 1.00 19.69 C ATOM 110 C SER A 16 11.040 12.735 8.646 1.00 23.16 C ATOM 111 O SER A 16 12.024 12.795 7.902 1.00 22.37 O ATOM 112 CB SER A 16 8.795 12.203 7.605 1.00 23.67 C ATOM 113 OG SER A 16 8.145 13.256 8.294 1.00 30.30 O ATOM 114 HG SER A 16 7.385 13.584 7.751 1.00 0.00 H ATOM 115 H SER A 16 8.547 11.138 9.938 1.00 0.00 H ATOM 116 N ASP A 17 10.872 13.555 9.711 1.00 20.40 N ATOM 117 CA ASP A 17 11.846 14.597 10.065 1.00 19.77 C ATOM 118 C ASP A 17 13.198 13.969 10.449 1.00 20.18 C ATOM 119 O ASP A 17 14.245 14.490 10.052 1.00 19.54 O ATOM 120 CB ASP A 17 11.323 15.512 11.193 1.00 21.88 C ATOM 121 CG ASP A 17 10.124 16.380 10.826 1.00 37.37 C ATOM 122 OD1 ASP A 17 9.922 16.644 9.615 1.00 39.21 O ATOM 123 OD2 ASP A 17 9.414 16.829 11.751 1.00 43.30 O ATOM 124 H ASP A 17 10.022 13.443 10.300 1.00 0.00 H ATOM 125 N VAL A 18 13.169 12.830 11.189 1.00 16.34 N ATOM 126 CA VAL A 18 14.383 12.093 11.572 1.00 15.69 C ATOM 127 C VAL A 18 15.094 11.626 10.294 1.00 18.96 C ATOM 128 O VAL A 18 16.277 11.911 10.124 1.00 17.57 O ATOM 129 CB VAL A 18 14.113 10.919 12.562 1.00 19.03 C ATOM 130 CG1 VAL A 18 15.344 10.015 12.709 1.00 18.15 C ATOM 131 CG2 VAL A 18 13.691 11.445 13.930 1.00 18.78 C ATOM 132 H VAL A 18 12.247 12.463 11.499 1.00 0.00 H ATOM 133 N LEU A 19 14.365 10.964 9.385 1.00 16.17 N ATOM 134 CA LEU A 19 14.943 10.477 8.136 1.00 16.28 C ATOM 135 C LEU A 19 15.528 11.608 7.285 1.00 19.36 C ATOM 136 O LEU A 19 16.658 11.472 6.795 1.00 18.43 O ATOM 137 CB LEU A 19 13.952 9.627 7.335 1.00 17.17 C ATOM 138 CG LEU A 19 14.590 8.762 6.230 1.00 20.97 C ATOM 139 CD1 LEU A 19 15.375 7.595 6.815 1.00 20.56 C ATOM 140 CD2 LEU A 19 13.543 8.264 5.257 1.00 23.83 C ATOM 141 H LEU A 19 13.357 10.792 9.575 1.00 0.00 H ATOM 142 N LEU A 20 14.801 12.734 7.179 1.00 17.51 N ATOM 143 CA LEU A 20 15.255 13.932 6.451 1.00 18.26 C ATOM 144 C LEU A 20 16.572 14.424 7.049 1.00 19.90 C ATOM 145 O LEU A 20 17.519 14.688 6.302 1.00 19.70 O ATOM 146 CB LEU A 20 14.187 15.045 6.476 1.00 19.69 C ATOM 147 CG LEU A 20 14.558 16.393 5.822 1.00 26.18 C ATOM 148 CD1 LEU A 20 14.888 16.237 4.334 1.00 27.49 C ATOM 149 CD2 LEU A 20 13.443 17.406 6.000 1.00 30.35 C ATOM 150 H LEU A 20 13.867 12.761 7.636 1.00 0.00 H ATOM 151 N ASN A 21 16.645 14.502 8.394 1.00 15.24 N ATOM 152 CA ASN A 21 17.857 14.941 9.077 1.00 14.81 C ATOM 153 C ASN A 21 19.016 13.964 8.924 1.00 18.53 C ATOM 154 O ASN A 21 20.165 14.409 8.828 1.00 18.43 O ATOM 155 CB ASN A 21 17.585 15.276 10.534 1.00 13.29 C ATOM 156 CG ASN A 21 16.838 16.583 10.701 1.00 27.17 C ATOM 157 OD1 ASN A 21 16.755 17.403 9.784 1.00 25.64 O ATOM 158 ND2 ASN A 21 16.291 16.819 11.883 1.00 19.66 N ATOM 159 HD22 ASN A 21 16.372 16.114 12.644 1.00 0.00 H ATOM 160 HD21 ASN A 21 15.780 17.709 12.051 1.00 0.00 H ATOM 161 H ASN A 21 15.813 14.241 8.961 1.00 0.00 H ATOM 162 N LEU A 22 18.733 12.639 8.866 1.00 15.81 N ATOM 163 CA LEU A 22 19.784 11.633 8.655 1.00 13.95 C ATOM 164 C LEU A 22 20.364 11.755 7.242 1.00 17.00 C ATOM 165 O LEU A 22 21.591 11.655 7.061 1.00 16.76 O ATOM 166 CB LEU A 22 19.273 10.211 8.913 1.00 13.46 C ATOM 167 CG LEU A 22 18.887 9.876 10.360 1.00 17.63 C ATOM 168 CD1 LEU A 22 18.229 8.514 10.431 1.00 18.70 C ATOM 169 CD2 LEU A 22 20.107 9.911 11.286 1.00 19.96 C ATOM 170 H LEU A 22 17.747 12.326 8.974 1.00 0.00 H ATOM 171 N ASN A 23 19.490 12.059 6.262 1.00 14.01 N ATOM 172 CA ASN A 23 19.928 12.281 4.883 1.00 14.29 C ATOM 173 C ASN A 23 20.788 13.543 4.781 1.00 19.08 C ATOM 174 O ASN A 23 21.774 13.558 4.040 1.00 19.27 O ATOM 175 CB ASN A 23 18.750 12.342 3.900 1.00 14.88 C ATOM 176 CG ASN A 23 19.208 12.142 2.463 1.00 28.47 C ATOM 177 OD1 ASN A 23 20.197 11.459 2.187 1.00 22.83 O ATOM 178 ND2 ASN A 23 18.521 12.756 1.512 1.00 27.57 N ATOM 179 HD22 ASN A 23 17.689 13.329 1.759 1.00 0.00 H ATOM 180 HD21 ASN A 23 18.814 12.665 0.518 1.00 0.00 H ATOM 181 H ASN A 23 18.479 12.138 6.491 1.00 0.00 H ATOM 182 N ARG A 24 20.434 14.585 5.560 1.00 16.38 N ATOM 183 CA ARG A 24 21.195 15.833 5.611 1.00 16.62 C ATOM 184 C ARG A 24 22.591 15.571 6.185 1.00 19.73 C ATOM 185 O ARG A 24 23.569 16.115 5.668 1.00 19.06 O ATOM 186 CB ARG A 24 20.445 16.868 6.425 1.00 17.52 C ATOM 187 CG ARG A 24 19.298 17.481 5.653 1.00 21.89 C ATOM 188 CD ARG A 24 18.340 18.145 6.597 1.00 30.10 C ATOM 189 NE ARG A 24 17.472 19.100 5.915 1.00 38.08 N ATOM 190 CZ ARG A 24 16.383 19.625 6.460 1.00 47.67 C ATOM 191 NH1 ARG A 24 16.019 19.285 7.691 1.00 30.56 N ATOM 192 NH2 ARG A 24 15.647 20.494 5.781 1.00 34.10 N ATOM 193 HE ARG A 24 17.722 19.385 4.946 1.00 0.00 H ATOM 194 HH12 ARG A 24 15.164 19.700 8.114 1.00 0.00 H ATOM 195 HH11 ARG A 24 16.589 18.604 8.232 1.00 0.00 H ATOM 196 HH22 ARG A 24 14.794 20.903 6.213 1.00 0.00 H ATOM 197 HH21 ARG A 24 15.923 20.767 4.816 1.00 0.00 H ATOM 198 H ARG A 24 19.582 14.497 6.151 1.00 0.00 H ATOM 199 N LEU A 25 22.689 14.702 7.226 1.00 16.60 N ATOM 200 CA LEU A 25 23.991 14.303 7.786 1.00 16.24 C ATOM 201 C LEU A 25 24.804 13.570 6.717 1.00 20.91 C ATOM 202 O LEU A 25 26.011 13.797 6.605 1.00 19.99 O ATOM 203 CB LEU A 25 23.853 13.367 9.000 1.00 16.05 C ATOM 204 CG LEU A 25 23.239 13.939 10.266 1.00 20.48 C ATOM 205 CD1 LEU A 25 23.240 12.897 11.376 1.00 20.98 C ATOM 206 CD2 LEU A 25 23.951 15.231 10.724 1.00 20.75 C ATOM 207 H LEU A 25 21.819 14.308 7.639 1.00 0.00 H ATOM 208 N ARG A 26 24.142 12.680 5.938 1.00 17.43 N ATOM 209 CA ARG A 26 24.825 11.925 4.886 1.00 17.83 C ATOM 210 C ARG A 26 25.386 12.893 3.846 1.00 22.31 C ATOM 211 O ARG A 26 26.555 12.772 3.488 1.00 22.11 O ATOM 212 CB ARG A 26 23.901 10.885 4.227 1.00 19.07 C ATOM 213 CG ARG A 26 24.614 10.077 3.142 1.00 20.18 C ATOM 214 CD ARG A 26 23.754 8.996 2.520 1.00 23.73 C ATOM 215 NE ARG A 26 22.575 9.522 1.823 1.00 25.28 N ATOM 216 CZ ARG A 26 22.384 9.454 0.508 1.00 38.36 C ATOM 217 NH1 ARG A 26 23.300 8.894 -0.277 1.00 25.50 N ATOM 218 NH2 ARG A 26 21.272 9.936 -0.032 1.00 28.03 N ATOM 219 HE ARG A 26 21.838 9.980 2.396 1.00 0.00 H ATOM 220 HH12 ARG A 26 23.144 8.844 -1.304 1.00 0.00 H ATOM 221 HH11 ARG A 26 24.172 8.506 0.136 1.00 0.00 H ATOM 222 HH22 ARG A 26 21.127 9.881 -1.060 1.00 0.00 H ATOM 223 HH21 ARG A 26 20.545 10.369 0.573 1.00 0.00 H ATOM 224 H ARG A 26 23.124 12.530 6.091 1.00 0.00 H ATOM 225 N SER A 27 24.573 13.876 3.412 1.00 21.02 N ATOM 226 CA SER A 27 24.967 14.902 2.431 1.00 21.37 C ATOM 227 C SER A 27 26.203 15.694 2.866 1.00 25.67 C ATOM 228 O SER A 27 27.044 16.035 2.029 1.00 26.22 O ATOM 229 CB SER A 27 23.825 15.886 2.213 1.00 25.56 C ATOM 230 OG SER A 27 22.793 15.318 1.425 1.00 35.52 O ATOM 231 HG SER A 27 22.434 14.516 1.882 1.00 0.00 H ATOM 232 H SER A 27 23.606 13.913 3.794 1.00 0.00 H ATOM 233 N ARG A 28 26.290 15.986 4.181 1.00 20.77 N ATOM 234 CA ARG A 28 27.385 16.762 4.761 1.00 20.71 C ATOM 235 C ARG A 28 28.510 15.863 5.293 1.00 22.66 C ATOM 236 O ARG A 28 29.501 16.361 5.847 1.00 20.26 O ATOM 237 CB ARG A 28 26.837 17.722 5.832 1.00 21.53 C ATOM 238 CG ARG A 28 25.782 18.682 5.264 1.00 31.17 C ATOM 239 CD ARG A 28 25.465 19.853 6.168 1.00 37.83 C ATOM 240 NE ARG A 28 26.653 20.662 6.433 1.00 41.82 N ATOM 241 CZ ARG A 28 27.046 21.042 7.643 1.00 47.25 C ATOM 242 NH1 ARG A 28 26.325 20.729 8.713 1.00 31.47 N ATOM 243 NH2 ARG A 28 28.146 21.761 7.791 1.00 27.09 N ATOM 244 HE ARG A 28 27.229 20.960 5.620 1.00 0.00 H ATOM 245 HH12 ARG A 28 26.639 21.030 9.658 1.00 0.00 H ATOM 246 HH11 ARG A 28 25.446 20.183 8.606 1.00 0.00 H ATOM 247 HH22 ARG A 28 28.450 22.057 8.741 1.00 0.00 H ATOM 248 HH21 ARG A 28 28.707 22.031 6.958 1.00 0.00 H ATOM 249 H ARG A 28 25.540 15.641 4.814 1.00 0.00 H ATOM 250 N ASP A 29 28.365 14.538 5.100 1.00 18.57 N ATOM 251 CA ASP A 29 29.314 13.507 5.511 1.00 18.07 C ATOM 252 C ASP A 29 29.590 13.558 7.007 1.00 19.60 C ATOM 253 O ASP A 29 30.728 13.377 7.450 1.00 20.31 O ATOM 254 CB ASP A 29 30.613 13.523 4.671 1.00 20.51 C ATOM 255 CG ASP A 29 31.335 12.193 4.706 1.00 26.65 C ATOM 256 OD1 ASP A 29 30.680 11.159 4.477 1.00 25.89 O ATOM 257 OD2 ASP A 29 32.562 12.188 4.951 1.00 30.45 O ATOM 258 H ASP A 29 27.501 14.221 4.616 1.00 0.00 H ATOM 259 N ILE A 30 28.531 13.825 7.783 1.00 15.45 N ATOM 260 CA ILE A 30 28.604 13.894 9.235 1.00 13.93 C ATOM 261 C ILE A 30 28.249 12.547 9.824 1.00 17.42 C ATOM 262 O ILE A 30 27.164 12.014 9.569 1.00 15.60 O ATOM 263 CB ILE A 30 27.743 15.045 9.836 1.00 16.59 C ATOM 264 CG1 ILE A 30 28.272 16.416 9.405 1.00 17.24 C ATOM 265 CG2 ILE A 30 27.677 14.946 11.374 1.00 18.90 C ATOM 266 CD1 ILE A 30 27.363 17.580 9.777 1.00 20.88 C ATOM 267 H ILE A 30 27.612 13.991 7.326 1.00 0.00 H ATOM 268 N LEU A 31 29.188 12.029 10.639 1.00 15.82 N ATOM 269 CA LEU A 31 29.040 10.767 11.373 1.00 15.63 C ATOM 270 C LEU A 31 28.922 9.537 10.478 1.00 18.55 C ATOM 271 O LEU A 31 28.557 8.464 10.963 1.00 18.09 O ATOM 272 CB LEU A 31 27.860 10.844 12.361 1.00 15.93 C ATOM 273 CG LEU A 31 28.158 11.234 13.809 1.00 20.87 C ATOM 274 CD1 LEU A 31 28.918 12.553 13.913 1.00 20.96 C ATOM 275 CD2 LEU A 31 26.884 11.321 14.576 1.00 24.57 C ATOM 276 H LEU A 31 30.076 12.558 10.756 1.00 0.00 H ATOM 277 N THR A 32 29.246 9.663 9.191 1.00 16.08 N ATOM 278 CA THR A 32 29.201 8.506 8.296 1.00 15.44 C ATOM 279 C THR A 32 30.316 7.578 8.788 1.00 19.84 C ATOM 280 O THR A 32 31.406 8.046 9.167 1.00 20.75 O ATOM 281 CB THR A 32 29.379 8.927 6.840 1.00 22.22 C ATOM 282 OG1 THR A 32 30.567 9.713 6.737 1.00 20.71 O ATOM 283 CG2 THR A 32 28.170 9.686 6.298 1.00 18.69 C ATOM 284 HG1 THR A 32 30.695 9.993 5.796 1.00 0.00 H ATOM 285 H THR A 32 29.533 10.591 8.820 1.00 0.00 H ATOM 286 N ASP A 33 30.024 6.279 8.881 1.00 16.16 N ATOM 287 CA ASP A 33 30.969 5.330 9.464 1.00 16.26 C ATOM 288 C ASP A 33 31.288 4.140 8.594 1.00 19.22 C ATOM 289 O ASP A 33 31.926 3.204 9.060 1.00 18.67 O ATOM 290 CB ASP A 33 30.437 4.865 10.831 1.00 17.96 C ATOM 291 CG ASP A 33 28.975 4.451 10.815 1.00 26.65 C ATOM 292 OD1 ASP A 33 28.440 4.175 9.710 1.00 22.57 O ATOM 293 OD2 ASP A 33 28.364 4.405 11.900 1.00 34.09 O ATOM 294 H ASP A 33 29.106 5.936 8.532 1.00 0.00 H ATOM 295 N VAL A 34 30.852 4.159 7.335 1.00 15.61 N ATOM 296 CA VAL A 34 31.146 3.066 6.425 1.00 15.31 C ATOM 297 C VAL A 34 31.151 3.599 5.001 1.00 18.83 C ATOM 298 O VAL A 34 30.465 4.583 4.692 1.00 18.26 O ATOM 299 CB VAL A 34 30.208 1.830 6.615 1.00 17.92 C ATOM 300 CG1 VAL A 34 28.797 2.095 6.083 1.00 17.98 C ATOM 301 CG2 VAL A 34 30.802 0.565 5.986 1.00 17.65 C ATOM 302 H VAL A 34 30.293 4.969 6.999 1.00 0.00 H ATOM 303 N VAL A 35 31.955 2.971 4.159 1.00 15.77 N ATOM 304 CA VAL A 35 31.996 3.257 2.741 1.00 14.86 C ATOM 305 C VAL A 35 31.616 1.934 2.096 1.00 18.63 C ATOM 306 O VAL A 35 32.246 0.921 2.383 1.00 17.84 O ATOM 307 CB VAL A 35 33.370 3.770 2.231 1.00 19.23 C ATOM 308 CG1 VAL A 35 33.356 3.921 0.704 1.00 19.16 C ATOM 309 CG2 VAL A 35 33.744 5.094 2.891 1.00 19.44 C ATOM 310 H VAL A 35 32.588 2.236 4.534 1.00 0.00 H ATOM 311 N ILE A 36 30.542 1.935 1.300 1.00 14.96 N ATOM 312 CA ILE A 36 30.104 0.781 0.538 1.00 13.78 C ATOM 313 C ILE A 36 30.733 0.947 -0.834 1.00 17.71 C ATOM 314 O ILE A 36 30.623 2.018 -1.443 1.00 17.58 O ATOM 315 CB ILE A 36 28.544 0.673 0.450 1.00 15.34 C ATOM 316 CG1 ILE A 36 27.870 0.744 1.852 1.00 15.84 C ATOM 317 CG2 ILE A 36 28.125 -0.585 -0.322 1.00 16.72 C ATOM 318 CD1 ILE A 36 28.357 -0.360 2.900 1.00 17.52 C ATOM 319 H ILE A 36 29.989 2.813 1.223 1.00 0.00 H ATOM 320 N VAL A 37 31.446 -0.081 -1.287 1.00 15.87 N ATOM 321 CA VAL A 37 32.143 -0.008 -2.562 1.00 16.08 C ATOM 322 C VAL A 37 31.519 -0.962 -3.563 1.00 21.43 C ATOM 323 O VAL A 37 31.403 -2.163 -3.299 1.00 21.14 O ATOM 324 CB VAL A 37 33.680 -0.171 -2.416 1.00 20.27 C ATOM 325 CG1 VAL A 37 34.367 0.105 -3.746 1.00 21.19 C ATOM 326 CG2 VAL A 37 34.235 0.752 -1.322 1.00 19.99 C ATOM 327 H VAL A 37 31.506 -0.951 -0.720 1.00 0.00 H ATOM 328 N VAL A 38 31.075 -0.405 -4.702 1.00 18.37 N ATOM 329 CA VAL A 38 30.402 -1.160 -5.761 1.00 18.82 C ATOM 330 C VAL A 38 31.098 -0.852 -7.082 1.00 23.15 C ATOM 331 O VAL A 38 31.022 0.283 -7.552 1.00 21.99 O ATOM 332 CB VAL A 38 28.880 -0.823 -5.836 1.00 22.50 C ATOM 333 CG1 VAL A 38 28.134 -1.884 -6.631 1.00 23.35 C ATOM 334 CG2 VAL A 38 28.261 -0.662 -4.450 1.00 21.53 C ATOM 335 H VAL A 38 31.217 0.616 -4.839 1.00 0.00 H ATOM 336 N SER A 39 31.787 -1.847 -7.672 1.00 21.67 N ATOM 337 CA SER A 39 32.564 -1.675 -8.915 1.00 22.44 C ATOM 338 C SER A 39 33.502 -0.445 -8.804 1.00 23.71 C ATOM 339 O SER A 39 33.607 0.361 -9.731 1.00 23.70 O ATOM 340 CB SER A 39 31.642 -1.593 -10.131 1.00 28.61 C ATOM 341 OG SER A 39 31.153 -2.879 -10.471 1.00 38.64 O ATOM 342 HG SER A 39 30.559 -2.807 -11.259 1.00 0.00 H ATOM 343 H SER A 39 31.771 -2.787 -7.228 1.00 0.00 H ATOM 344 N ARG A 40 34.136 -0.301 -7.619 1.00 18.73 N ATOM 345 CA ARG A 40 35.076 0.744 -7.188 1.00 17.84 C ATOM 346 C ARG A 40 34.420 2.122 -6.959 1.00 21.50 C ATOM 347 O ARG A 40 35.114 3.061 -6.567 1.00 21.09 O ATOM 348 CB ARG A 40 36.304 0.857 -8.096 1.00 19.28 C ATOM 349 CG ARG A 40 37.011 -0.479 -8.309 1.00 23.67 C ATOM 350 CD ARG A 40 38.414 -0.315 -8.840 1.00 22.20 C ATOM 351 NE ARG A 40 38.458 0.395 -10.119 1.00 18.74 N ATOM 352 CZ ARG A 40 38.939 1.626 -10.278 1.00 27.52 C ATOM 353 NH1 ARG A 40 38.953 2.188 -11.479 1.00 19.55 N ATOM 354 NH2 ARG A 40 39.417 2.300 -9.237 1.00 21.15 N ATOM 355 HE ARG A 40 38.089 -0.095 -10.959 1.00 0.00 H ATOM 356 HH12 ARG A 40 39.330 3.150 -11.599 1.00 0.00 H ATOM 357 HH11 ARG A 40 38.587 1.667 -12.301 1.00 0.00 H ATOM 358 HH22 ARG A 40 39.791 3.261 -9.368 1.00 0.00 H ATOM 359 HH21 ARG A 40 39.417 1.866 -8.292 1.00 0.00 H ATOM 360 H ARG A 40 33.929 -1.034 -6.911 1.00 0.00 H ATOM 361 N GLU A 41 33.090 2.228 -7.147 1.00 18.27 N ATOM 362 CA GLU A 41 32.352 3.462 -6.866 1.00 17.80 C ATOM 363 C GLU A 41 32.107 3.451 -5.363 1.00 19.55 C ATOM 364 O GLU A 41 31.688 2.424 -4.821 1.00 18.16 O ATOM 365 CB GLU A 41 31.018 3.490 -7.642 1.00 19.74 C ATOM 366 CG GLU A 41 30.315 4.838 -7.654 1.00 27.23 C ATOM 367 CD GLU A 41 31.017 5.991 -8.348 1.00 39.80 C ATOM 368 OE1 GLU A 41 31.749 5.761 -9.338 1.00 40.75 O ATOM 369 OE2 GLU A 41 30.819 7.141 -7.897 1.00 26.55 O ATOM 370 H GLU A 41 32.568 1.403 -7.505 1.00 0.00 H ATOM 371 N GLN A 42 32.425 4.562 -4.684 1.00 17.16 N ATOM 372 CA GLN A 42 32.328 4.646 -3.227 1.00 16.33 C ATOM 373 C GLN A 42 31.080 5.370 -2.757 1.00 19.71 C ATOM 374 O GLN A 42 30.795 6.472 -3.229 1.00 18.59 O ATOM 375 CB GLN A 42 33.585 5.301 -2.627 1.00 18.04 C ATOM 376 CG GLN A 42 34.874 4.522 -2.922 1.00 17.98 C ATOM 377 CD GLN A 42 36.099 5.045 -2.205 1.00 31.81 C ATOM 378 OE1 GLN A 42 36.027 5.810 -1.230 1.00 27.58 O ATOM 379 NE2 GLN A 42 37.264 4.614 -2.660 1.00 26.38 N ATOM 380 HE22 GLN A 42 37.298 3.973 -3.479 1.00 0.00 H ATOM 381 HE21 GLN A 42 38.146 4.916 -2.199 1.00 0.00 H ATOM 382 H GLN A 42 32.753 5.395 -5.213 1.00 0.00 H ATOM 383 N PHE A 43 30.369 4.771 -1.786 1.00 16.99 N ATOM 384 CA PHE A 43 29.146 5.347 -1.213 1.00 16.16 C ATOM 385 C PHE A 43 29.287 5.481 0.300 1.00 19.65 C ATOM 386 O PHE A 43 29.365 4.481 1.011 1.00 20.00 O ATOM 387 CB PHE A 43 27.911 4.500 -1.552 1.00 18.00 C ATOM 388 CG PHE A 43 27.673 4.355 -3.034 1.00 19.39 C ATOM 389 CD1 PHE A 43 28.292 3.341 -3.758 1.00 21.06 C ATOM 390 CD2 PHE A 43 26.800 5.210 -3.701 1.00 21.70 C ATOM 391 CE1 PHE A 43 28.071 3.209 -5.136 1.00 22.65 C ATOM 392 CE2 PHE A 43 26.573 5.071 -5.075 1.00 23.94 C ATOM 393 CZ PHE A 43 27.208 4.071 -5.782 1.00 21.59 C ATOM 394 H PHE A 43 30.701 3.855 -1.423 1.00 0.00 H ATOM 395 N ARG A 44 29.313 6.718 0.789 1.00 15.16 N ATOM 396 CA ARG A 44 29.464 6.972 2.222 1.00 14.99 C ATOM 397 C ARG A 44 28.089 6.904 2.892 1.00 18.72 C ATOM 398 O ARG A 44 27.121 7.457 2.364 1.00 19.16 O ATOM 399 CB ARG A 44 30.154 8.321 2.451 1.00 17.65 C ATOM 400 CG ARG A 44 31.456 8.397 1.647 1.00 23.90 C ATOM 401 CD ARG A 44 32.125 9.764 1.660 1.00 26.33 C ATOM 402 NE ARG A 44 32.724 10.078 2.956 1.00 27.98 N ATOM 403 CZ ARG A 44 33.881 9.599 3.400 1.00 39.77 C ATOM 404 NH1 ARG A 44 34.584 8.748 2.661 1.00 27.15 N ATOM 405 NH2 ARG A 44 34.336 9.952 4.593 1.00 29.16 N ATOM 406 HE ARG A 44 32.203 10.727 3.580 1.00 0.00 H ATOM 407 HH12 ARG A 44 35.489 8.377 3.015 1.00 0.00 H ATOM 408 HH11 ARG A 44 34.229 8.453 1.729 1.00 0.00 H ATOM 409 HH22 ARG A 44 35.242 9.575 4.936 1.00 0.00 H ATOM 410 HH21 ARG A 44 33.787 10.607 5.186 1.00 0.00 H ATOM 411 H ARG A 44 29.224 7.524 0.137 1.00 0.00 H ATOM 412 N ALA A 45 27.989 6.192 4.025 1.00 15.48 N ATOM 413 CA ALA A 45 26.693 6.028 4.700 1.00 15.39 C ATOM 414 C ALA A 45 26.821 5.789 6.197 1.00 16.41 C ATOM 415 O ALA A 45 27.932 5.721 6.742 1.00 14.97 O ATOM 416 CB ALA A 45 25.910 4.881 4.063 1.00 16.92 C ATOM 417 H ALA A 45 28.839 5.751 4.431 1.00 0.00 H ATOM 418 N HIS A 46 25.665 5.683 6.859 1.00 14.15 N ATOM 419 CA HIS A 46 25.585 5.365 8.282 1.00 13.98 C ATOM 420 C HIS A 46 25.172 3.899 8.348 1.00 17.02 C ATOM 421 O HIS A 46 24.125 3.533 7.797 1.00 16.83 O ATOM 422 CB HIS A 46 24.542 6.245 8.996 1.00 13.61 C ATOM 423 CG HIS A 46 24.776 7.713 8.827 1.00 16.25 C ATOM 424 ND1 HIS A 46 24.164 8.427 7.823 1.00 17.56 N ATOM 425 CD2 HIS A 46 25.596 8.539 9.516 1.00 17.78 C ATOM 426 CE1 HIS A 46 24.591 9.676 7.951 1.00 17.47 C ATOM 427 NE2 HIS A 46 25.470 9.789 8.948 1.00 17.64 N ATOM 428 H HIS A 46 24.779 5.834 6.335 1.00 0.00 H ATOM 429 N LYS A 47 25.981 3.061 9.029 1.00 13.47 N ATOM 430 CA LYS A 47 25.697 1.624 9.184 1.00 12.65 C ATOM 431 C LYS A 47 24.282 1.375 9.717 1.00 16.73 C ATOM 432 O LYS A 47 23.589 0.518 9.190 1.00 16.69 O ATOM 433 CB LYS A 47 26.697 0.972 10.134 1.00 14.48 C ATOM 434 CG LYS A 47 28.086 0.875 9.578 1.00 13.82 C ATOM 435 CD LYS A 47 29.005 0.362 10.667 1.00 16.21 C ATOM 436 CE LYS A 47 30.423 0.353 10.204 1.00 17.51 C ATOM 437 NZ LYS A 47 31.337 -0.135 11.267 1.00 20.10 N ATOM 438 HZ1 LYS A 47 31.264 0.487 12.097 1.00 0.00 H ATOM 439 HZ2 LYS A 47 31.070 -1.104 11.534 1.00 0.00 H ATOM 440 HZ3 LYS A 47 32.314 -0.128 10.912 1.00 0.00 H ATOM 441 H LYS A 47 26.843 3.447 9.464 1.00 0.00 H ATOM 442 N THR A 48 23.857 2.130 10.759 1.00 13.22 N ATOM 443 CA THR A 48 22.531 1.953 11.358 1.00 12.71 C ATOM 444 C THR A 48 21.398 2.180 10.362 1.00 17.27 C ATOM 445 O THR A 48 20.429 1.430 10.401 1.00 18.58 O ATOM 446 CB THR A 48 22.375 2.789 12.613 1.00 17.96 C ATOM 447 OG1 THR A 48 22.572 4.167 12.289 1.00 16.92 O ATOM 448 CG2 THR A 48 23.308 2.336 13.732 1.00 19.78 C ATOM 449 HG1 THR A 48 22.471 4.715 13.107 1.00 0.00 H ATOM 450 H THR A 48 24.491 2.858 11.146 1.00 0.00 H ATOM 451 N VAL A 49 21.530 3.161 9.442 1.00 14.14 N ATOM 452 CA VAL A 49 20.494 3.402 8.418 1.00 13.90 C ATOM 453 C VAL A 49 20.479 2.216 7.453 1.00 17.31 C ATOM 454 O VAL A 49 19.407 1.714 7.119 1.00 17.41 O ATOM 455 CB VAL A 49 20.670 4.758 7.679 1.00 17.72 C ATOM 456 CG1 VAL A 49 19.608 4.938 6.584 1.00 18.34 C ATOM 457 CG2 VAL A 49 20.606 5.919 8.671 1.00 17.28 C ATOM 458 H VAL A 49 22.380 3.760 9.456 1.00 0.00 H ATOM 459 N LEU A 50 21.672 1.762 7.033 1.00 13.29 N ATOM 460 CA LEU A 50 21.795 0.615 6.124 1.00 13.53 C ATOM 461 C LEU A 50 21.136 -0.627 6.734 1.00 18.19 C ATOM 462 O LEU A 50 20.367 -1.306 6.060 1.00 18.39 O ATOM 463 CB LEU A 50 23.272 0.335 5.832 1.00 13.56 C ATOM 464 CG LEU A 50 24.047 1.375 5.033 1.00 16.92 C ATOM 465 CD1 LEU A 50 25.472 0.887 4.815 1.00 16.67 C ATOM 466 CD2 LEU A 50 23.388 1.657 3.677 1.00 20.08 C ATOM 467 H LEU A 50 22.536 2.238 7.362 1.00 0.00 H ATOM 468 N MET A 51 21.405 -0.879 8.024 1.00 15.37 N ATOM 469 CA MET A 51 20.842 -2.003 8.755 1.00 14.90 C ATOM 470 C MET A 51 19.339 -1.884 8.847 1.00 18.44 C ATOM 471 O MET A 51 18.650 -2.881 8.727 1.00 19.40 O ATOM 472 CB MET A 51 21.419 -2.086 10.161 1.00 16.80 C ATOM 473 CG MET A 51 22.878 -2.419 10.192 1.00 20.10 C ATOM 474 SD MET A 51 23.504 -2.241 11.876 1.00 24.83 S ATOM 475 CE MET A 51 23.051 -3.769 12.517 1.00 21.56 C ATOM 476 H MET A 51 22.050 -0.237 8.528 1.00 0.00 H ATOM 477 N ALA A 52 18.830 -0.666 9.065 1.00 15.52 N ATOM 478 CA ALA A 52 17.392 -0.443 9.218 1.00 15.75 C ATOM 479 C ALA A 52 16.572 -0.674 7.943 1.00 20.32 C ATOM 480 O ALA A 52 15.351 -0.868 8.025 1.00 21.04 O ATOM 481 CB ALA A 52 17.154 0.960 9.763 1.00 16.42 C ATOM 482 H ALA A 52 19.476 0.147 9.128 1.00 0.00 H ATOM 483 N CYS A 53 17.242 -0.683 6.776 1.00 17.51 N ATOM 484 CA CYS A 53 16.620 -0.810 5.460 1.00 17.49 C ATOM 485 C CYS A 53 16.872 -2.119 4.728 1.00 21.05 C ATOM 486 O CYS A 53 16.103 -2.454 3.836 1.00 22.31 O ATOM 487 CB CYS A 53 17.049 0.356 4.583 1.00 17.81 C ATOM 488 SG CYS A 53 16.606 1.982 5.233 1.00 21.73 S ATOM 489 H CYS A 53 18.277 -0.593 6.814 1.00 0.00 H ATOM 490 N SER A 54 17.984 -2.789 5.010 1.00 17.54 N ATOM 491 CA SER A 54 18.442 -3.933 4.236 1.00 18.34 C ATOM 492 C SER A 54 18.736 -5.158 5.086 1.00 23.29 C ATOM 493 O SER A 54 19.439 -5.058 6.091 1.00 21.50 O ATOM 494 CB SER A 54 19.695 -3.507 3.470 1.00 21.22 C ATOM 495 OG SER A 54 20.534 -4.567 3.035 1.00 22.88 O ATOM 496 HG SER A 54 20.025 -5.163 2.430 1.00 0.00 H ATOM 497 H SER A 54 18.555 -2.481 5.823 1.00 0.00 H ATOM 498 N GLY A 55 18.237 -6.309 4.649 1.00 22.14 N ATOM 499 CA GLY A 55 18.502 -7.565 5.337 1.00 22.32 C ATOM 500 C GLY A 55 19.968 -7.937 5.279 1.00 25.50 C ATOM 501 O GLY A 55 20.527 -8.415 6.273 1.00 25.13 O ATOM 502 H GLY A 55 17.643 -6.313 3.795 1.00 0.00 H ATOM 503 N LEU A 56 20.601 -7.685 4.123 1.00 21.92 N ATOM 504 CA LEU A 56 22.018 -7.955 3.908 1.00 21.67 C ATOM 505 C LEU A 56 22.867 -7.120 4.879 1.00 23.32 C ATOM 506 O LEU A 56 23.678 -7.689 5.610 1.00 22.08 O ATOM 507 CB LEU A 56 22.431 -7.694 2.451 1.00 22.02 C ATOM 508 CG LEU A 56 23.919 -7.945 2.135 1.00 27.10 C ATOM 509 CD1 LEU A 56 24.194 -9.405 1.844 1.00 28.59 C ATOM 510 CD2 LEU A 56 24.397 -7.084 0.994 1.00 28.94 C ATOM 511 H LEU A 56 20.053 -7.276 3.340 1.00 0.00 H ATOM 512 N PHE A 57 22.671 -5.780 4.909 1.00 18.82 N ATOM 513 CA PHE A 57 23.434 -4.929 5.822 1.00 16.07 C ATOM 514 C PHE A 57 23.157 -5.240 7.272 1.00 17.84 C ATOM 515 O PHE A 57 24.078 -5.220 8.089 1.00 17.13 O ATOM 516 CB PHE A 57 23.239 -3.439 5.522 1.00 16.47 C ATOM 517 CG PHE A 57 23.875 -3.026 4.219 1.00 16.82 C ATOM 518 CD1 PHE A 57 25.224 -3.270 3.975 1.00 19.40 C ATOM 519 CD2 PHE A 57 23.127 -2.399 3.232 1.00 18.11 C ATOM 520 CE1 PHE A 57 25.808 -2.904 2.762 1.00 20.50 C ATOM 521 CE2 PHE A 57 23.722 -2.003 2.033 1.00 21.44 C ATOM 522 CZ PHE A 57 25.058 -2.259 1.807 1.00 19.74 C ATOM 523 H PHE A 57 21.968 -5.350 4.274 1.00 0.00 H ATOM 524 N TYR A 58 21.908 -5.579 7.579 1.00 16.37 N ATOM 525 CA TYR A 58 21.535 -5.950 8.927 1.00 17.21 C ATOM 526 C TYR A 58 22.347 -7.194 9.348 1.00 21.42 C ATOM 527 O TYR A 58 22.978 -7.159 10.390 1.00 20.98 O ATOM 528 CB TYR A 58 20.019 -6.177 9.022 1.00 19.06 C ATOM 529 CG TYR A 58 19.630 -6.830 10.316 1.00 22.09 C ATOM 530 CD1 TYR A 58 19.493 -6.084 11.480 1.00 23.38 C ATOM 531 CD2 TYR A 58 19.451 -8.208 10.395 1.00 25.02 C ATOM 532 CE1 TYR A 58 19.155 -6.688 12.685 1.00 25.78 C ATOM 533 CE2 TYR A 58 19.160 -8.828 11.602 1.00 26.98 C ATOM 534 CZ TYR A 58 19.007 -8.063 12.743 1.00 33.13 C ATOM 535 OH TYR A 58 18.674 -8.683 13.911 1.00 38.86 O ATOM 536 HH TYR A 58 17.806 -9.146 13.802 1.00 0.00 H ATOM 537 H TYR A 58 21.183 -5.577 6.833 1.00 0.00 H ATOM 538 N SER A 59 22.405 -8.239 8.499 1.00 18.40 N ATOM 539 CA SER A 59 23.193 -9.441 8.796 1.00 17.84 C ATOM 540 C SER A 59 24.697 -9.154 8.879 1.00 20.22 C ATOM 541 O SER A 59 25.373 -9.753 9.708 1.00 19.91 O ATOM 542 CB SER A 59 22.936 -10.508 7.747 1.00 23.20 C ATOM 543 OG SER A 59 23.488 -10.170 6.487 1.00 34.15 O ATOM 544 HG SER A 59 23.086 -9.324 6.168 1.00 0.00 H ATOM 545 H SER A 59 21.875 -8.192 7.606 1.00 0.00 H ATOM 546 N ILE A 60 25.216 -8.231 8.042 1.00 16.15 N ATOM 547 CA ILE A 60 26.647 -7.891 8.040 1.00 15.54 C ATOM 548 C ILE A 60 27.059 -7.220 9.346 1.00 18.78 C ATOM 549 O ILE A 60 28.013 -7.673 9.986 1.00 18.72 O ATOM 550 CB ILE A 60 27.055 -7.030 6.792 1.00 18.65 C ATOM 551 CG1 ILE A 60 26.912 -7.859 5.484 1.00 20.70 C ATOM 552 CG2 ILE A 60 28.505 -6.484 6.924 1.00 17.98 C ATOM 553 CD1 ILE A 60 26.858 -7.028 4.203 1.00 29.23 C ATOM 554 H ILE A 60 24.583 -7.744 7.376 1.00 0.00 H ATOM 555 N PHE A 61 26.383 -6.126 9.723 1.00 16.19 N ATOM 556 CA PHE A 61 26.827 -5.380 10.888 1.00 15.63 C ATOM 557 C PHE A 61 26.401 -5.985 12.232 1.00 20.09 C ATOM 558 O PHE A 61 26.987 -5.581 13.230 1.00 19.99 O ATOM 559 CB PHE A 61 26.488 -3.893 10.781 1.00 16.88 C ATOM 560 CG PHE A 61 27.070 -3.269 9.530 1.00 17.92 C ATOM 561 CD1 PHE A 61 28.446 -3.141 9.372 1.00 20.37 C ATOM 562 CD2 PHE A 61 26.240 -2.833 8.502 1.00 20.70 C ATOM 563 CE1 PHE A 61 28.984 -2.576 8.210 1.00 21.74 C ATOM 564 CE2 PHE A 61 26.782 -2.270 7.336 1.00 23.08 C ATOM 565 CZ PHE A 61 28.147 -2.157 7.196 1.00 21.18 C ATOM 566 H PHE A 61 25.548 -5.814 9.187 1.00 0.00 H ATOM 567 N THR A 62 25.447 -6.960 12.277 1.00 17.40 N ATOM 568 CA THR A 62 25.071 -7.633 13.529 1.00 17.49 C ATOM 569 C THR A 62 26.141 -8.702 13.811 1.00 21.50 C ATOM 570 O THR A 62 26.389 -9.055 14.970 1.00 21.23 O ATOM 571 CB THR A 62 23.632 -8.192 13.448 1.00 25.92 C ATOM 572 OG1 THR A 62 22.750 -7.124 13.107 1.00 24.54 O ATOM 573 CG2 THR A 62 23.164 -8.834 14.758 1.00 25.89 C ATOM 574 HG1 THR A 62 23.016 -6.745 12.232 1.00 0.00 H ATOM 575 H THR A 62 24.970 -7.236 11.395 1.00 0.00 H ATOM 576 N ASP A 63 26.781 -9.203 12.737 1.00 16.75 N ATOM 577 CA ASP A 63 27.854 -10.191 12.781 1.00 16.37 C ATOM 578 C ASP A 63 29.055 -9.493 13.418 1.00 18.88 C ATOM 579 O ASP A 63 29.595 -8.536 12.855 1.00 18.81 O ATOM 580 CB ASP A 63 28.167 -10.669 11.343 1.00 17.93 C ATOM 581 CG ASP A 63 29.376 -11.564 11.125 1.00 22.29 C ATOM 582 OD1 ASP A 63 30.101 -11.845 12.099 1.00 19.09 O ATOM 583 OD2 ASP A 63 29.606 -11.973 9.972 1.00 23.82 O ATOM 584 H ASP A 63 26.487 -8.858 11.801 1.00 0.00 H ATOM 585 N GLN A 64 29.427 -9.927 14.631 1.00 16.05 N ATOM 586 CA GLN A 64 30.510 -9.299 15.392 1.00 15.79 C ATOM 587 C GLN A 64 31.855 -9.257 14.656 1.00 18.29 C ATOM 588 O GLN A 64 32.618 -8.314 14.863 1.00 18.00 O ATOM 589 CB GLN A 64 30.662 -9.926 16.783 1.00 17.71 C ATOM 590 CG GLN A 64 29.460 -9.681 17.703 1.00 22.08 C ATOM 591 CD GLN A 64 29.378 -8.295 18.332 1.00 34.42 C ATOM 592 OE1 GLN A 64 30.166 -7.391 18.058 1.00 27.27 O ATOM 593 NE2 GLN A 64 28.435 -8.109 19.235 1.00 33.97 N ATOM 594 HE22 GLN A 64 27.773 -8.878 19.461 1.00 0.00 H ATOM 595 HE21 GLN A 64 28.354 -7.193 19.721 1.00 0.00 H ATOM 596 H GLN A 64 28.928 -10.739 15.047 1.00 0.00 H ATOM 597 N LEU A 65 32.121 -10.231 13.767 1.00 14.77 N ATOM 598 CA LEU A 65 33.366 -10.220 13.002 1.00 13.04 C ATOM 599 C LEU A 65 33.429 -9.029 12.037 1.00 18.21 C ATOM 600 O LEU A 65 34.513 -8.489 11.805 1.00 19.63 O ATOM 601 CB LEU A 65 33.537 -11.542 12.220 1.00 13.10 C ATOM 602 CG LEU A 65 34.810 -11.651 11.382 1.00 17.26 C ATOM 603 CD1 LEU A 65 36.060 -11.626 12.271 1.00 16.99 C ATOM 604 CD2 LEU A 65 34.803 -12.920 10.554 1.00 19.47 C ATOM 605 H LEU A 65 31.434 -10.999 13.623 1.00 0.00 H ATOM 606 N LYS A 66 32.277 -8.637 11.474 1.00 14.30 N ATOM 607 CA LYS A 66 32.215 -7.572 10.472 1.00 13.52 C ATOM 608 C LYS A 66 31.697 -6.231 10.982 1.00 17.45 C ATOM 609 O LYS A 66 31.810 -5.241 10.265 1.00 17.04 O ATOM 610 CB LYS A 66 31.385 -8.037 9.256 1.00 15.64 C ATOM 611 CG LYS A 66 31.868 -9.346 8.621 1.00 20.93 C ATOM 612 CD LYS A 66 31.089 -9.653 7.353 1.00 30.25 C ATOM 613 CE LYS A 66 31.430 -10.997 6.736 1.00 41.84 C ATOM 614 NZ LYS A 66 32.771 -11.001 6.093 1.00 54.20 N ATOM 615 HZ1 LYS A 66 32.795 -10.285 5.339 1.00 0.00 H ATOM 616 HZ2 LYS A 66 33.496 -10.780 6.805 1.00 0.00 H ATOM 617 HZ3 LYS A 66 32.957 -11.940 5.687 1.00 0.00 H ATOM 618 H LYS A 66 31.395 -9.107 11.760 1.00 0.00 H ATOM 619 N ARG A 67 31.141 -6.180 12.211 1.00 14.84 N ATOM 620 CA ARG A 67 30.552 -4.970 12.779 1.00 14.99 C ATOM 621 C ARG A 67 31.424 -3.733 12.674 1.00 19.10 C ATOM 622 O ARG A 67 30.892 -2.661 12.382 1.00 18.75 O ATOM 623 CB ARG A 67 30.108 -5.189 14.235 1.00 17.39 C ATOM 624 CG ARG A 67 29.203 -4.053 14.734 1.00 24.26 C ATOM 625 CD ARG A 67 28.532 -4.320 16.059 1.00 25.26 C ATOM 626 NE ARG A 67 27.561 -5.417 16.012 1.00 23.29 N ATOM 627 CZ ARG A 67 26.872 -5.833 17.067 1.00 34.71 C ATOM 628 NH1 ARG A 67 27.026 -5.240 18.247 1.00 26.97 N ATOM 629 NH2 ARG A 67 26.034 -6.850 16.958 1.00 30.15 N ATOM 630 HE ARG A 67 27.403 -5.895 15.102 1.00 0.00 H ATOM 631 HH12 ARG A 67 26.483 -5.571 19.070 1.00 0.00 H ATOM 632 HH11 ARG A 67 27.689 -4.445 18.347 1.00 0.00 H ATOM 633 HH22 ARG A 67 25.496 -7.172 17.788 1.00 0.00 H ATOM 634 HH21 ARG A 67 25.912 -7.328 16.042 1.00 0.00 H ATOM 635 H ARG A 67 31.131 -7.048 12.784 1.00 0.00 H ATOM 636 N ASN A 68 32.748 -3.867 12.919 1.00 18.49 N ATOM 637 CA ASN A 68 33.630 -2.700 12.903 1.00 19.94 C ATOM 638 C ASN A 68 34.274 -2.397 11.545 1.00 24.61 C ATOM 639 O ASN A 68 35.053 -1.449 11.461 1.00 26.54 O ATOM 640 CB ASN A 68 34.706 -2.797 14.000 1.00 22.08 C ATOM 641 CG ASN A 68 35.391 -1.468 14.287 1.00 49.48 C ATOM 642 OD1 ASN A 68 36.583 -1.279 14.001 1.00 43.75 O ATOM 643 ND2 ASN A 68 34.636 -0.486 14.766 1.00 39.86 N ATOM 644 HD22 ASN A 68 33.638 -0.664 15.000 1.00 0.00 H ATOM 645 HD21 ASN A 68 35.042 0.461 14.907 1.00 0.00 H ATOM 646 H ASN A 68 33.142 -4.808 13.120 1.00 0.00 H ATOM 647 N LEU A 69 33.948 -3.152 10.485 1.00 18.59 N ATOM 648 CA LEU A 69 34.512 -2.852 9.170 1.00 17.38 C ATOM 649 C LEU A 69 34.103 -1.446 8.721 1.00 18.89 C ATOM 650 O LEU A 69 32.944 -1.067 8.890 1.00 17.61 O ATOM 651 CB LEU A 69 34.102 -3.890 8.127 1.00 17.40 C ATOM 652 CG LEU A 69 34.793 -5.247 8.248 1.00 21.08 C ATOM 653 CD1 LEU A 69 34.124 -6.274 7.359 1.00 22.39 C ATOM 654 CD2 LEU A 69 36.288 -5.147 7.898 1.00 22.06 C ATOM 655 H LEU A 69 33.293 -3.952 10.599 1.00 0.00 H ATOM 656 N SER A 70 35.065 -0.688 8.169 1.00 17.01 N ATOM 657 CA SER A 70 34.813 0.678 7.702 1.00 16.24 C ATOM 658 C SER A 70 34.588 0.703 6.196 1.00 19.09 C ATOM 659 O SER A 70 34.227 1.744 5.645 1.00 17.70 O ATOM 660 CB SER A 70 35.970 1.593 8.083 1.00 19.17 C ATOM 661 OG SER A 70 37.202 1.061 7.628 1.00 22.86 O ATOM 662 HG SER A 70 37.348 0.172 8.039 1.00 0.00 H ATOM 663 H SER A 70 36.021 -1.084 8.070 1.00 0.00 H ATOM 664 N VAL A 71 34.811 -0.439 5.528 1.00 15.92 N ATOM 665 CA VAL A 71 34.642 -0.596 4.087 1.00 15.81 C ATOM 666 C VAL A 71 33.965 -1.943 3.844 1.00 19.29 C ATOM 667 O VAL A 71 34.358 -2.947 4.436 1.00 18.21 O ATOM 668 CB VAL A 71 36.001 -0.487 3.320 1.00 20.86 C ATOM 669 CG1 VAL A 71 35.826 -0.758 1.826 1.00 21.65 C ATOM 670 CG2 VAL A 71 36.650 0.881 3.531 1.00 20.60 C ATOM 671 H VAL A 71 35.125 -1.267 6.073 1.00 0.00 H ATOM 672 N ILE A 72 32.916 -1.947 3.016 1.00 17.33 N ATOM 673 CA ILE A 72 32.222 -3.173 2.630 1.00 17.36 C ATOM 674 C ILE A 72 32.210 -3.206 1.116 1.00 20.90 C ATOM 675 O ILE A 72 31.735 -2.260 0.487 1.00 19.38 O ATOM 676 CB ILE A 72 30.774 -3.291 3.215 1.00 20.24 C ATOM 677 CG1 ILE A 72 30.759 -3.312 4.775 1.00 20.00 C ATOM 678 CG2 ILE A 72 30.010 -4.499 2.616 1.00 21.70 C ATOM 679 CD1 ILE A 72 31.420 -4.526 5.487 1.00 25.41 C ATOM 680 H ILE A 72 32.580 -1.041 2.631 1.00 0.00 H ATOM 681 N ASN A 73 32.734 -4.291 0.528 1.00 20.53 N ATOM 682 CA ASN A 73 32.726 -4.462 -0.925 1.00 21.64 C ATOM 683 C ASN A 73 31.525 -5.316 -1.305 1.00 25.71 C ATOM 684 O ASN A 73 31.385 -6.436 -0.803 1.00 24.88 O ATOM 685 CB ASN A 73 34.012 -5.126 -1.395 1.00 23.78 C ATOM 686 CG ASN A 73 35.202 -4.218 -1.314 1.00 34.86 C ATOM 687 OD1 ASN A 73 35.447 -3.396 -2.202 1.00 32.35 O ATOM 688 ND2 ASN A 73 35.957 -4.336 -0.241 1.00 27.90 N ATOM 689 HD22 ASN A 73 35.720 -5.040 0.487 1.00 0.00 H ATOM 690 HD21 ASN A 73 36.790 -3.725 -0.122 1.00 0.00 H ATOM 691 H ASN A 73 33.158 -5.032 1.122 1.00 0.00 H ATOM 692 N LEU A 74 30.629 -4.785 -2.153 1.00 22.77 N ATOM 693 CA LEU A 74 29.472 -5.562 -2.584 1.00 22.60 C ATOM 694 C LEU A 74 29.915 -6.552 -3.653 1.00 27.25 C ATOM 695 O LEU A 74 30.980 -6.363 -4.248 1.00 26.88 O ATOM 696 CB LEU A 74 28.330 -4.673 -3.103 1.00 22.46 C ATOM 697 CG LEU A 74 27.598 -3.766 -2.095 1.00 25.56 C ATOM 698 CD1 LEU A 74 26.238 -3.355 -2.641 1.00 25.79 C ATOM 699 CD2 LEU A 74 27.378 -4.446 -0.746 1.00 26.50 C ATOM 700 H LEU A 74 30.761 -3.815 -2.504 1.00 0.00 H ATOM 701 N ASP A 75 29.121 -7.613 -3.879 1.00 26.01 N ATOM 702 CA ASP A 75 29.436 -8.646 -4.873 1.00 27.31 C ATOM 703 C ASP A 75 29.705 -8.064 -6.276 1.00 31.76 C ATOM 704 O ASP A 75 29.088 -7.061 -6.641 1.00 31.15 O ATOM 705 CB ASP A 75 28.355 -9.743 -4.897 1.00 29.83 C ATOM 706 CG ASP A 75 28.459 -10.763 -3.771 1.00 38.98 C ATOM 707 OD1 ASP A 75 29.442 -10.700 -2.992 1.00 38.55 O ATOM 708 OD2 ASP A 75 27.565 -11.629 -3.673 1.00 45.49 O ATOM 709 H ASP A 75 28.245 -7.706 -3.325 1.00 0.00 H ATOM 710 N PRO A 76 30.644 -8.656 -7.057 1.00 29.11 N ATOM 711 CA PRO A 76 30.977 -8.091 -8.384 1.00 29.84 C ATOM 712 C PRO A 76 29.817 -7.854 -9.361 1.00 34.27 C ATOM 713 O PRO A 76 29.909 -6.927 -10.170 1.00 35.25 O ATOM 714 CB PRO A 76 31.975 -9.103 -8.961 1.00 32.33 C ATOM 715 CG PRO A 76 32.566 -9.773 -7.787 1.00 36.11 C ATOM 716 CD PRO A 76 31.494 -9.827 -6.745 1.00 30.98 C ATOM 717 N GLU A 77 28.742 -8.679 -9.281 1.00 30.27 N ATOM 718 CA GLU A 77 27.549 -8.610 -10.138 1.00 30.63 C ATOM 719 C GLU A 77 26.679 -7.373 -9.869 1.00 33.74 C ATOM 720 O GLU A 77 25.782 -7.068 -10.658 1.00 34.15 O ATOM 721 CB GLU A 77 26.708 -9.904 -10.007 1.00 32.31 C ATOM 722 CG GLU A 77 26.081 -10.128 -8.636 1.00 40.83 C ATOM 723 CD GLU A 77 25.496 -11.507 -8.410 1.00 57.67 C ATOM 724 OE1 GLU A 77 24.307 -11.713 -8.745 1.00 45.32 O ATOM 725 OE2 GLU A 77 26.217 -12.376 -7.869 1.00 51.37 O ATOM 726 H GLU A 77 28.764 -9.422 -8.553 1.00 0.00 H ATOM 727 N ILE A 78 26.926 -6.673 -8.751 1.00 28.54 N ATOM 728 CA ILE A 78 26.116 -5.518 -8.376 1.00 27.07 C ATOM 729 C ILE A 78 26.527 -4.249 -9.113 1.00 30.19 C ATOM 730 O ILE A 78 27.708 -3.910 -9.195 1.00 30.24 O ATOM 731 CB ILE A 78 26.080 -5.357 -6.834 1.00 28.94 C ATOM 732 CG1 ILE A 78 25.614 -6.674 -6.165 1.00 29.03 C ATOM 733 CG2 ILE A 78 25.204 -4.172 -6.386 1.00 29.44 C ATOM 734 CD1 ILE A 78 24.215 -7.274 -6.677 1.00 32.92 C ATOM 735 H ILE A 78 27.714 -6.961 -8.136 1.00 0.00 H ATOM 736 N ASN A 79 25.519 -3.574 -9.671 1.00 27.48 N ATOM 737 CA ASN A 79 25.652 -2.345 -10.438 1.00 27.87 C ATOM 738 C ASN A 79 25.670 -1.138 -9.487 1.00 29.03 C ATOM 739 O ASN A 79 24.744 -1.009 -8.683 1.00 26.52 O ATOM 740 CB ASN A 79 24.469 -2.229 -11.413 1.00 30.65 C ATOM 741 CG ASN A 79 24.620 -1.170 -12.476 1.00 63.54 C ATOM 742 OD1 ASN A 79 24.684 0.030 -12.196 1.00 62.08 O ATOM 743 ND2 ASN A 79 24.614 -1.589 -13.731 1.00 57.19 N ATOM 744 HD22 ASN A 79 24.559 -2.606 -13.939 1.00 0.00 H ATOM 745 HD21 ASN A 79 24.664 -0.901 -14.509 1.00 0.00 H ATOM 746 H ASN A 79 24.561 -3.958 -9.547 1.00 0.00 H ATOM 747 N PRO A 80 26.667 -0.219 -9.590 1.00 26.76 N ATOM 748 CA PRO A 80 26.668 0.967 -8.706 1.00 26.34 C ATOM 749 C PRO A 80 25.475 1.911 -8.888 1.00 29.66 C ATOM 750 O PRO A 80 25.071 2.558 -7.922 1.00 28.81 O ATOM 751 CB PRO A 80 28.005 1.653 -9.022 1.00 28.15 C ATOM 752 CG PRO A 80 28.354 1.194 -10.391 1.00 33.23 C ATOM 753 CD PRO A 80 27.841 -0.213 -10.494 1.00 29.08 C ATOM 754 N GLU A 81 24.915 1.998 -10.107 1.00 26.92 N ATOM 755 CA GLU A 81 23.746 2.848 -10.369 1.00 26.61 C ATOM 756 C GLU A 81 22.507 2.292 -9.656 1.00 28.63 C ATOM 757 O GLU A 81 21.791 3.061 -9.010 1.00 27.93 O ATOM 758 CB GLU A 81 23.522 3.074 -11.866 1.00 29.05 C ATOM 759 CG GLU A 81 24.545 4.026 -12.459 1.00 41.94 C ATOM 760 CD GLU A 81 25.220 3.561 -13.734 1.00 65.33 C ATOM 761 OE1 GLU A 81 24.508 3.098 -14.655 1.00 68.09 O ATOM 762 OE2 GLU A 81 26.462 3.693 -13.826 1.00 59.22 O ATOM 763 H GLU A 81 25.322 1.446 -10.889 1.00 0.00 H ATOM 764 N GLY A 82 22.343 0.962 -9.694 1.00 24.78 N ATOM 765 CA GLY A 82 21.290 0.242 -8.983 1.00 23.70 C ATOM 766 C GLY A 82 21.417 0.454 -7.484 1.00 24.38 C ATOM 767 O GLY A 82 20.431 0.763 -6.804 1.00 22.32 O ATOM 768 H GLY A 82 23.009 0.406 -10.267 1.00 0.00 H ATOM 769 N PHE A 83 22.661 0.365 -6.963 1.00 18.97 N ATOM 770 CA PHE A 83 22.897 0.622 -5.550 1.00 17.01 C ATOM 771 C PHE A 83 22.579 2.090 -5.196 1.00 20.51 C ATOM 772 O PHE A 83 21.970 2.330 -4.148 1.00 20.63 O ATOM 773 CB PHE A 83 24.336 0.255 -5.137 1.00 18.45 C ATOM 774 CG PHE A 83 24.544 0.428 -3.653 1.00 19.14 C ATOM 775 CD1 PHE A 83 24.007 -0.482 -2.748 1.00 22.42 C ATOM 776 CD2 PHE A 83 25.179 1.561 -3.151 1.00 20.83 C ATOM 777 CE1 PHE A 83 24.154 -0.292 -1.370 1.00 22.75 C ATOM 778 CE2 PHE A 83 25.299 1.764 -1.773 1.00 22.39 C ATOM 779 CZ PHE A 83 24.792 0.833 -0.893 1.00 20.38 C ATOM 780 H PHE A 83 23.459 0.110 -7.579 1.00 0.00 H ATOM 781 N ASN A 84 22.985 3.063 -6.052 1.00 17.77 N ATOM 782 CA ASN A 84 22.731 4.490 -5.771 1.00 18.19 C ATOM 783 C ASN A 84 21.240 4.794 -5.635 1.00 21.52 C ATOM 784 O ASN A 84 20.854 5.520 -4.718 1.00 20.81 O ATOM 785 CB ASN A 84 23.361 5.409 -6.808 1.00 20.36 C ATOM 786 CG ASN A 84 23.441 6.854 -6.358 1.00 36.91 C ATOM 787 OD1 ASN A 84 23.847 7.169 -5.233 1.00 30.39 O ATOM 788 ND2 ASN A 84 23.050 7.770 -7.227 1.00 35.92 N ATOM 789 HD22 ASN A 84 22.712 7.483 -8.168 1.00 0.00 H ATOM 790 HD21 ASN A 84 23.080 8.777 -6.970 1.00 0.00 H ATOM 791 H ASN A 84 23.486 2.797 -6.924 1.00 0.00 H ATOM 792 N ILE A 85 20.410 4.211 -6.519 1.00 18.84 N ATOM 793 CA ILE A 85 18.948 4.372 -6.458 1.00 18.93 C ATOM 794 C ILE A 85 18.431 3.879 -5.095 1.00 22.06 C ATOM 795 O ILE A 85 17.667 4.585 -4.431 1.00 21.45 O ATOM 796 CB ILE A 85 18.246 3.635 -7.628 1.00 22.31 C ATOM 797 CG1 ILE A 85 18.596 4.245 -9.018 1.00 23.27 C ATOM 798 CG2 ILE A 85 16.703 3.555 -7.398 1.00 22.66 C ATOM 799 CD1 ILE A 85 18.213 5.777 -9.260 1.00 31.21 C ATOM 800 H ILE A 85 20.817 3.624 -7.275 1.00 0.00 H ATOM 801 N LEU A 86 18.877 2.680 -4.677 1.00 19.09 N ATOM 802 CA LEU A 86 18.449 2.079 -3.414 1.00 19.16 C ATOM 803 C LEU A 86 18.960 2.814 -2.183 1.00 20.18 C ATOM 804 O LEU A 86 18.212 2.942 -1.209 1.00 17.90 O ATOM 805 CB LEU A 86 18.784 0.590 -3.370 1.00 20.08 C ATOM 806 CG LEU A 86 17.953 -0.235 -4.360 1.00 25.86 C ATOM 807 CD1 LEU A 86 18.450 -1.599 -4.451 1.00 26.97 C ATOM 808 CD2 LEU A 86 16.490 -0.277 -3.967 1.00 27.93 C ATOM 809 H LEU A 86 19.552 2.161 -5.275 1.00 0.00 H ATOM 810 N LEU A 87 20.202 3.336 -2.225 1.00 17.42 N ATOM 811 CA LEU A 87 20.734 4.126 -1.116 1.00 16.56 C ATOM 812 C LEU A 87 19.919 5.420 -0.947 1.00 21.60 C ATOM 813 O LEU A 87 19.574 5.779 0.184 1.00 19.95 O ATOM 814 CB LEU A 87 22.225 4.431 -1.324 1.00 16.60 C ATOM 815 CG LEU A 87 22.939 5.186 -0.198 1.00 20.05 C ATOM 816 CD1 LEU A 87 22.966 4.383 1.097 1.00 19.54 C ATOM 817 CD2 LEU A 87 24.345 5.559 -0.615 1.00 24.08 C ATOM 818 H LEU A 87 20.794 3.173 -3.064 1.00 0.00 H ATOM 819 N ASP A 88 19.551 6.075 -2.074 1.00 19.48 N ATOM 820 CA ASP A 88 18.726 7.283 -2.038 1.00 19.42 C ATOM 821 C ASP A 88 17.354 6.954 -1.451 1.00 21.64 C ATOM 822 O ASP A 88 16.866 7.708 -0.609 1.00 21.18 O ATOM 823 CB ASP A 88 18.569 7.898 -3.434 1.00 22.67 C ATOM 824 CG ASP A 88 19.707 8.799 -3.870 1.00 35.26 C ATOM 825 OD1 ASP A 88 20.442 9.302 -2.989 1.00 34.48 O ATOM 826 OD2 ASP A 88 19.805 9.077 -5.082 1.00 40.18 O ATOM 827 H ASP A 88 19.865 5.707 -2.995 1.00 0.00 H ATOM 828 N PHE A 89 16.783 5.792 -1.829 1.00 18.73 N ATOM 829 CA PHE A 89 15.501 5.326 -1.295 1.00 17.86 C ATOM 830 C PHE A 89 15.592 5.138 0.231 1.00 19.95 C ATOM 831 O PHE A 89 14.696 5.566 0.961 1.00 19.63 O ATOM 832 CB PHE A 89 15.043 4.014 -1.966 1.00 20.29 C ATOM 833 CG PHE A 89 13.982 3.317 -1.146 1.00 21.26 C ATOM 834 CD1 PHE A 89 12.667 3.769 -1.154 1.00 23.88 C ATOM 835 CD2 PHE A 89 14.312 2.251 -0.312 1.00 22.27 C ATOM 836 CE1 PHE A 89 11.705 3.162 -0.348 1.00 24.64 C ATOM 837 CE2 PHE A 89 13.351 1.651 0.498 1.00 24.87 C ATOM 838 CZ PHE A 89 12.046 2.096 0.458 1.00 23.31 C ATOM 839 H PHE A 89 17.274 5.201 -2.530 1.00 0.00 H ATOM 840 N MET A 90 16.666 4.491 0.707 1.00 16.12 N ATOM 841 CA MET A 90 16.846 4.243 2.134 1.00 13.88 C ATOM 842 C MET A 90 16.740 5.531 2.936 1.00 17.98 C ATOM 843 O MET A 90 16.077 5.564 3.958 1.00 16.88 O ATOM 844 CB MET A 90 18.210 3.610 2.404 1.00 14.77 C ATOM 845 CG MET A 90 18.349 2.206 1.859 1.00 16.80 C ATOM 846 SD MET A 90 19.945 1.585 2.412 1.00 19.74 S ATOM 847 CE MET A 90 20.111 0.158 1.331 1.00 17.95 C ATOM 848 H MET A 90 17.391 4.157 0.041 1.00 0.00 H ATOM 849 N TYR A 91 17.384 6.590 2.450 1.00 16.59 N ATOM 850 CA TYR A 91 17.433 7.875 3.135 1.00 16.20 C ATOM 851 C TYR A 91 16.299 8.855 2.825 1.00 19.42 C ATOM 852 O TYR A 91 16.230 9.899 3.491 1.00 18.17 O ATOM 853 CB TYR A 91 18.767 8.537 2.822 1.00 16.69 C ATOM 854 CG TYR A 91 19.915 8.039 3.665 1.00 16.33 C ATOM 855 CD1 TYR A 91 20.670 6.937 3.270 1.00 17.29 C ATOM 856 CD2 TYR A 91 20.259 8.677 4.849 1.00 16.20 C ATOM 857 CE1 TYR A 91 21.745 6.484 4.035 1.00 16.73 C ATOM 858 CE2 TYR A 91 21.351 8.252 5.609 1.00 15.94 C ATOM 859 CZ TYR A 91 22.091 7.156 5.197 1.00 20.14 C ATOM 860 OH TYR A 91 23.173 6.740 5.935 1.00 19.37 O ATOM 861 HH TYR A 91 23.837 7.472 5.986 1.00 0.00 H ATOM 862 H TYR A 91 17.875 6.496 1.538 1.00 0.00 H ATOM 863 N THR A 92 15.432 8.567 1.820 1.00 17.39 N ATOM 864 CA THR A 92 14.372 9.510 1.409 1.00 18.32 C ATOM 865 C THR A 92 12.943 8.954 1.289 1.00 23.12 C ATOM 866 O THR A 92 12.015 9.757 1.156 1.00 23.17 O ATOM 867 CB THR A 92 14.717 10.196 0.056 1.00 26.79 C ATOM 868 OG1 THR A 92 14.656 9.238 -1.004 1.00 25.67 O ATOM 869 CG2 THR A 92 16.063 10.903 0.053 1.00 25.63 C ATOM 870 HG1 THR A 92 15.307 8.513 -0.829 1.00 0.00 H ATOM 871 H THR A 92 15.517 7.656 1.325 1.00 0.00 H ATOM 872 N SER A 93 12.769 7.609 1.242 1.00 20.97 N ATOM 873 CA SER A 93 11.480 6.904 1.031 1.00 21.64 C ATOM 874 C SER A 93 11.017 7.022 -0.426 1.00 27.45 C ATOM 875 O SER A 93 9.900 6.605 -0.751 1.00 27.77 O ATOM 876 CB SER A 93 10.377 7.421 1.960 1.00 23.74 C ATOM 877 OG SER A 93 10.801 7.516 3.307 1.00 29.19 O ATOM 878 HG SER A 93 10.055 7.853 3.864 1.00 0.00 H ATOM 879 H SER A 93 13.616 7.018 1.365 1.00 0.00 H ATOM 880 N ARG A 94 11.867 7.607 -1.291 1.00 24.13 N ATOM 881 CA ARG A 94 11.598 7.840 -2.709 1.00 25.39 C ATOM 882 C ARG A 94 12.422 6.904 -3.574 1.00 28.57 C ATOM 883 O ARG A 94 13.654 6.917 -3.511 1.00 27.83 O ATOM 884 CB ARG A 94 11.873 9.308 -3.087 1.00 28.25 C ATOM 885 CG ARG A 94 10.903 10.303 -2.438 1.00 40.70 C ATOM 886 CD ARG A 94 11.161 11.745 -2.849 1.00 56.49 C ATOM 887 NE ARG A 94 11.142 11.923 -4.305 1.00 68.39 N ATOM 888 CZ ARG A 94 11.193 13.099 -4.923 1.00 83.75 C ATOM 889 NH1 ARG A 94 11.243 14.225 -4.221 1.00 72.22 N ATOM 890 NH2 ARG A 94 11.181 13.159 -6.248 1.00 69.93 N ATOM 891 HE ARG A 94 11.085 11.069 -4.896 1.00 0.00 H ATOM 892 HH12 ARG A 94 11.283 15.142 -4.711 1.00 0.00 H ATOM 893 HH11 ARG A 94 11.242 14.190 -3.182 1.00 0.00 H ATOM 894 HH22 ARG A 94 11.221 14.081 -6.727 1.00 0.00 H ATOM 895 HH21 ARG A 94 11.132 12.284 -6.808 1.00 0.00 H ATOM 896 H ARG A 94 12.788 7.918 -0.921 1.00 0.00 H ATOM 897 N LEU A 95 11.741 6.085 -4.379 1.00 25.39 N ATOM 898 CA LEU A 95 12.398 5.117 -5.246 1.00 24.83 C ATOM 899 C LEU A 95 12.286 5.570 -6.700 1.00 30.06 C ATOM 900 O LEU A 95 11.186 5.560 -7.265 1.00 29.94 O ATOM 901 CB LEU A 95 11.768 3.728 -5.014 1.00 24.42 C ATOM 902 CG LEU A 95 12.390 2.520 -5.702 1.00 28.05 C ATOM 903 CD1 LEU A 95 13.719 2.125 -5.050 1.00 27.07 C ATOM 904 CD2 LEU A 95 11.437 1.348 -5.644 1.00 29.55 C ATOM 905 H LEU A 95 10.703 6.140 -4.387 1.00 0.00 H ATOM 906 N ASN A 96 13.421 6.004 -7.294 1.00 27.29 N ATOM 907 CA ASN A 96 13.428 6.474 -8.680 1.00 27.96 C ATOM 908 C ASN A 96 13.586 5.323 -9.681 1.00 31.83 C ATOM 909 O ASN A 96 14.699 5.011 -10.117 1.00 31.55 O ATOM 910 CB ASN A 96 14.451 7.601 -8.915 1.00 30.10 C ATOM 911 CG ASN A 96 14.451 8.155 -10.332 1.00 60.20 C ATOM 912 OD1 ASN A 96 15.498 8.261 -10.983 1.00 54.52 O ATOM 913 ND2 ASN A 96 13.274 8.473 -10.866 1.00 53.70 N ATOM 914 HD22 ASN A 96 12.405 8.377 -10.303 1.00 0.00 H ATOM 915 HD21 ASN A 96 13.224 8.817 -11.846 1.00 0.00 H ATOM 916 H ASN A 96 14.309 6.004 -6.753 1.00 0.00 H ATOM 917 N LEU A 97 12.446 4.702 -10.037 1.00 28.91 N ATOM 918 CA LEU A 97 12.364 3.604 -10.997 1.00 29.47 C ATOM 919 C LEU A 97 12.108 4.122 -12.389 1.00 34.19 C ATOM 920 O LEU A 97 11.283 5.020 -12.587 1.00 34.01 O ATOM 921 CB LEU A 97 11.235 2.607 -10.646 1.00 29.38 C ATOM 922 CG LEU A 97 11.350 1.801 -9.358 1.00 32.58 C ATOM 923 CD1 LEU A 97 10.239 0.780 -9.268 1.00 32.26 C ATOM 924 CD2 LEU A 97 12.714 1.119 -9.233 1.00 33.55 C ATOM 925 H LEU A 97 11.561 5.027 -9.598 1.00 0.00 H ATOM 926 N ARG A 98 12.792 3.517 -13.363 1.00 31.91 N ATOM 927 CA ARG A 98 12.608 3.809 -14.779 1.00 32.76 C ATOM 928 C ARG A 98 12.971 2.590 -15.616 1.00 36.16 C ATOM 929 O ARG A 98 13.605 1.669 -15.099 1.00 34.31 O ATOM 930 CB ARG A 98 13.302 5.109 -15.238 1.00 34.27 C ATOM 931 CG ARG A 98 14.778 5.243 -14.923 1.00 42.02 C ATOM 932 CD ARG A 98 15.194 6.680 -15.148 1.00 48.09 C ATOM 933 NE ARG A 98 16.635 6.809 -15.352 1.00 50.55 N ATOM 934 CZ ARG A 98 17.505 7.124 -14.400 1.00 56.42 C ATOM 935 NH1 ARG A 98 17.091 7.346 -13.159 1.00 40.99 N ATOM 936 NH2 ARG A 98 18.797 7.222 -14.681 1.00 34.23 N ATOM 937 HE ARG A 98 17.005 6.642 -16.310 1.00 0.00 H ATOM 938 HH12 ARG A 98 17.778 7.592 -12.418 1.00 0.00 H ATOM 939 HH11 ARG A 98 16.080 7.274 -12.927 1.00 0.00 H ATOM 940 HH22 ARG A 98 19.475 7.469 -13.932 1.00 0.00 H ATOM 941 HH21 ARG A 98 19.133 7.052 -15.651 1.00 0.00 H ATOM 942 H ARG A 98 13.495 2.798 -13.097 1.00 0.00 H ATOM 943 N GLU A 99 12.530 2.554 -16.883 1.00 34.28 N ATOM 944 CA GLU A 99 12.791 1.427 -17.783 1.00 35.64 C ATOM 945 C GLU A 99 14.272 1.077 -17.902 1.00 40.62 C ATOM 946 O GLU A 99 14.625 -0.102 -17.877 1.00 41.08 O ATOM 947 CB GLU A 99 12.169 1.661 -19.170 1.00 38.61 C ATOM 948 CG GLU A 99 10.648 1.601 -19.192 1.00 53.27 C ATOM 949 CD GLU A 99 9.999 0.268 -18.859 1.00 79.98 C ATOM 950 OE1 GLU A 99 10.564 -0.788 -19.227 1.00 83.69 O ATOM 951 OE2 GLU A 99 8.904 0.284 -18.253 1.00 71.48 O ATOM 952 H GLU A 99 11.980 3.360 -17.242 1.00 0.00 H ATOM 953 N GLY A 100 15.116 2.103 -17.982 1.00 37.21 N ATOM 954 CA GLY A 100 16.561 1.952 -18.118 1.00 36.91 C ATOM 955 C GLY A 100 17.305 1.404 -16.916 1.00 39.65 C ATOM 956 O GLY A 100 18.413 0.890 -17.077 1.00 39.10 O ATOM 957 H GLY A 100 14.724 3.066 -17.946 1.00 0.00 H ATOM 958 N ASN A 101 16.721 1.518 -15.700 1.00 34.96 N ATOM 959 CA ASN A 101 17.377 1.055 -14.477 1.00 33.07 C ATOM 960 C ASN A 101 16.608 -0.022 -13.694 1.00 36.03 C ATOM 961 O ASN A 101 17.135 -0.524 -12.706 1.00 34.83 O ATOM 962 CB ASN A 101 17.700 2.260 -13.561 1.00 31.43 C ATOM 963 CG ASN A 101 16.536 2.880 -12.799 1.00 44.93 C ATOM 964 OD1 ASN A 101 15.370 2.469 -12.893 1.00 35.04 O ATOM 965 ND2 ASN A 101 16.835 3.898 -12.010 1.00 33.30 N ATOM 966 HD22 ASN A 101 17.818 4.232 -11.941 1.00 0.00 H ATOM 967 HD21 ASN A 101 16.088 4.365 -11.458 1.00 0.00 H ATOM 968 H ASN A 101 15.776 1.948 -15.633 1.00 0.00 H ATOM 969 N ILE A 102 15.365 -0.347 -14.104 1.00 32.02 N ATOM 970 CA ILE A 102 14.483 -1.272 -13.384 1.00 31.16 C ATOM 971 C ILE A 102 15.094 -2.668 -13.128 1.00 33.81 C ATOM 972 O ILE A 102 14.966 -3.171 -12.008 1.00 31.25 O ATOM 973 CB ILE A 102 13.070 -1.370 -14.030 1.00 34.83 C ATOM 974 CG1 ILE A 102 12.088 -2.154 -13.140 1.00 35.23 C ATOM 975 CG2 ILE A 102 13.095 -1.915 -15.469 1.00 37.16 C ATOM 976 CD1 ILE A 102 11.799 -1.550 -11.759 1.00 41.54 C ATOM 977 H ILE A 102 15.011 0.083 -14.982 1.00 0.00 H ATOM 978 N MET A 103 15.716 -3.297 -14.148 1.00 31.29 N ATOM 979 CA MET A 103 16.321 -4.624 -13.991 1.00 31.51 C ATOM 980 C MET A 103 17.454 -4.581 -12.982 1.00 35.01 C ATOM 981 O MET A 103 17.501 -5.418 -12.073 1.00 34.36 O ATOM 982 CB MET A 103 16.794 -5.201 -15.339 1.00 34.94 C ATOM 983 CG MET A 103 15.678 -5.346 -16.368 1.00 39.63 C ATOM 984 SD MET A 103 14.177 -6.130 -15.728 1.00 43.61 S ATOM 985 CE MET A 103 14.671 -7.856 -15.761 1.00 41.04 C ATOM 986 H MET A 103 15.768 -2.826 -15.074 1.00 0.00 H ATOM 987 N ALA A 104 18.319 -3.556 -13.100 1.00 31.29 N ATOM 988 CA ALA A 104 19.452 -3.329 -12.210 1.00 30.70 C ATOM 989 C ALA A 104 19.000 -2.982 -10.794 1.00 32.96 C ATOM 990 O ALA A 104 19.650 -3.401 -9.844 1.00 32.76 O ATOM 991 CB ALA A 104 20.341 -2.228 -12.763 1.00 31.62 C ATOM 992 H ALA A 104 18.169 -2.881 -13.877 1.00 0.00 H ATOM 993 N VAL A 105 17.894 -2.231 -10.647 1.00 28.30 N ATOM 994 CA VAL A 105 17.373 -1.856 -9.324 1.00 26.73 C ATOM 995 C VAL A 105 16.765 -3.082 -8.639 1.00 29.37 C ATOM 996 O VAL A 105 17.079 -3.329 -7.474 1.00 28.19 O ATOM 997 CB VAL A 105 16.434 -0.622 -9.348 1.00 30.40 C ATOM 998 CG1 VAL A 105 15.698 -0.449 -8.021 1.00 29.29 C ATOM 999 CG2 VAL A 105 17.215 0.644 -9.683 1.00 30.17 C ATOM 1000 H VAL A 105 17.391 -1.905 -11.497 1.00 0.00 H ATOM 1001 N MET A 106 15.943 -3.870 -9.377 1.00 26.90 N ATOM 1002 CA MET A 106 15.336 -5.091 -8.834 1.00 26.20 C ATOM 1003 C MET A 106 16.407 -6.097 -8.379 1.00 29.20 C ATOM 1004 O MET A 106 16.350 -6.564 -7.239 1.00 26.78 O ATOM 1005 CB MET A 106 14.372 -5.724 -9.834 1.00 29.08 C ATOM 1006 CG MET A 106 13.544 -6.841 -9.225 1.00 32.61 C ATOM 1007 SD MET A 106 12.284 -7.444 -10.356 1.00 37.36 S ATOM 1008 CE MET A 106 13.308 -8.166 -11.599 1.00 35.17 C ATOM 1009 H MET A 106 15.736 -3.600 -10.360 1.00 0.00 H ATOM 1010 N ALA A 107 17.408 -6.382 -9.245 1.00 27.25 N ATOM 1011 CA ALA A 107 18.514 -7.285 -8.912 1.00 26.59 C ATOM 1012 C ALA A 107 19.236 -6.805 -7.640 1.00 28.24 C ATOM 1013 O ALA A 107 19.506 -7.618 -6.755 1.00 27.15 O ATOM 1014 CB ALA A 107 19.493 -7.384 -10.076 1.00 27.74 C ATOM 1015 H ALA A 107 17.392 -5.941 -10.187 1.00 0.00 H ATOM 1016 N THR A 108 19.479 -5.484 -7.517 1.00 24.53 N ATOM 1017 CA THR A 108 20.157 -4.923 -6.344 1.00 23.87 C ATOM 1018 C THR A 108 19.290 -5.055 -5.085 1.00 25.62 C ATOM 1019 O THR A 108 19.818 -5.403 -4.028 1.00 24.34 O ATOM 1020 CB THR A 108 20.655 -3.486 -6.601 1.00 32.13 C ATOM 1021 OG1 THR A 108 21.361 -3.453 -7.832 1.00 32.37 O ATOM 1022 CG2 THR A 108 21.601 -2.994 -5.515 1.00 29.01 C ATOM 1023 HG1 THR A 108 20.757 -3.733 -8.565 1.00 0.00 H ATOM 1024 H THR A 108 19.176 -4.843 -8.278 1.00 0.00 H ATOM 1025 N ALA A 109 17.962 -4.837 -5.205 1.00 23.06 N ATOM 1026 CA ALA A 109 17.058 -4.947 -4.052 1.00 22.05 C ATOM 1027 C ALA A 109 16.952 -6.388 -3.569 1.00 24.82 C ATOM 1028 O ALA A 109 16.861 -6.618 -2.361 1.00 24.31 O ATOM 1029 CB ALA A 109 15.688 -4.388 -4.389 1.00 23.01 C ATOM 1030 H ALA A 109 17.571 -4.585 -6.135 1.00 0.00 H ATOM 1031 N MET A 110 17.015 -7.357 -4.500 1.00 22.02 N ATOM 1032 CA MET A 110 16.975 -8.778 -4.149 1.00 21.71 C ATOM 1033 C MET A 110 18.235 -9.117 -3.345 1.00 24.30 C ATOM 1034 O MET A 110 18.133 -9.712 -2.280 1.00 24.76 O ATOM 1035 CB MET A 110 16.866 -9.653 -5.406 1.00 25.39 C ATOM 1036 CG MET A 110 15.502 -9.558 -6.066 1.00 30.26 C ATOM 1037 SD MET A 110 15.420 -10.318 -7.707 1.00 37.41 S ATOM 1038 CE MET A 110 15.352 -12.047 -7.255 1.00 35.91 C ATOM 1039 H MET A 110 17.095 -7.088 -5.501 1.00 0.00 H ATOM 1040 N TYR A 111 19.399 -8.669 -3.829 1.00 21.30 N ATOM 1041 CA TYR A 111 20.708 -8.870 -3.199 1.00 20.98 C ATOM 1042 C TYR A 111 20.750 -8.253 -1.810 1.00 25.79 C ATOM 1043 O TYR A 111 21.166 -8.910 -0.848 1.00 25.50 O ATOM 1044 CB TYR A 111 21.805 -8.277 -4.097 1.00 22.38 C ATOM 1045 CG TYR A 111 23.182 -8.203 -3.470 1.00 23.51 C ATOM 1046 CD1 TYR A 111 23.965 -9.345 -3.323 1.00 25.99 C ATOM 1047 CD2 TYR A 111 23.728 -6.981 -3.081 1.00 23.15 C ATOM 1048 CE1 TYR A 111 25.248 -9.277 -2.772 1.00 26.10 C ATOM 1049 CE2 TYR A 111 25.022 -6.898 -2.568 1.00 23.52 C ATOM 1050 CZ TYR A 111 25.771 -8.050 -2.399 1.00 30.40 C ATOM 1051 OH TYR A 111 27.038 -7.966 -1.865 1.00 29.94 O ATOM 1052 HH TYR A 111 27.433 -8.872 -1.812 1.00 0.00 H ATOM 1053 H TYR A 111 19.374 -8.136 -4.722 1.00 0.00 H ATOM 1054 N LEU A 112 20.303 -6.993 -1.709 1.00 22.24 N ATOM 1055 CA LEU A 112 20.261 -6.247 -0.459 1.00 21.58 C ATOM 1056 C LEU A 112 19.166 -6.739 0.484 1.00 26.24 C ATOM 1057 O LEU A 112 19.113 -6.298 1.632 1.00 24.00 O ATOM 1058 CB LEU A 112 20.101 -4.737 -0.730 1.00 21.10 C ATOM 1059 CG LEU A 112 21.255 -3.992 -1.425 1.00 24.95 C ATOM 1060 CD1 LEU A 112 20.948 -2.511 -1.523 1.00 24.32 C ATOM 1061 CD2 LEU A 112 22.589 -4.180 -0.696 1.00 26.49 C ATOM 1062 H LEU A 112 19.967 -6.521 -2.573 1.00 0.00 H ATOM 1063 N GLN A 113 18.292 -7.662 0.014 1.00 25.64 N ATOM 1064 CA GLN A 113 17.188 -8.216 0.798 1.00 25.60 C ATOM 1065 C GLN A 113 16.259 -7.081 1.241 1.00 29.17 C ATOM 1066 O GLN A 113 16.153 -6.771 2.432 1.00 28.86 O ATOM 1067 CB GLN A 113 17.700 -9.057 1.984 1.00 26.95 C ATOM 1068 CG GLN A 113 18.425 -10.329 1.551 1.00 39.63 C ATOM 1069 CD GLN A 113 19.399 -10.794 2.597 1.00 47.15 C ATOM 1070 OE1 GLN A 113 19.049 -10.982 3.763 1.00 37.64 O ATOM 1071 NE2 GLN A 113 20.645 -10.991 2.199 1.00 40.33 N ATOM 1072 HE22 GLN A 113 20.907 -10.823 1.207 1.00 0.00 H ATOM 1073 HE21 GLN A 113 21.363 -11.314 2.878 1.00 0.00 H ATOM 1074 H GLN A 113 18.413 -7.997 -0.963 1.00 0.00 H ATOM 1075 N MET A 114 15.660 -6.406 0.252 1.00 24.77 N ATOM 1076 CA MET A 114 14.719 -5.312 0.477 1.00 23.91 C ATOM 1077 C MET A 114 13.474 -5.766 -0.276 1.00 30.25 C ATOM 1078 O MET A 114 13.223 -5.327 -1.400 1.00 29.76 O ATOM 1079 CB MET A 114 15.287 -3.977 -0.048 1.00 24.72 C ATOM 1080 CG MET A 114 16.524 -3.500 0.705 1.00 26.69 C ATOM 1081 SD MET A 114 17.419 -2.189 -0.155 1.00 29.26 S ATOM 1082 CE MET A 114 16.388 -0.766 0.227 1.00 26.36 C ATOM 1083 H MET A 114 15.876 -6.675 -0.729 1.00 0.00 H ATOM 1084 N GLU A 115 12.759 -6.745 0.315 1.00 29.62 N ATOM 1085 CA GLU A 115 11.619 -7.419 -0.311 1.00 31.35 C ATOM 1086 C GLU A 115 10.468 -6.495 -0.704 1.00 35.22 C ATOM 1087 O GLU A 115 9.855 -6.748 -1.745 1.00 35.03 O ATOM 1088 CB GLU A 115 11.114 -8.601 0.532 1.00 33.82 C ATOM 1089 CG GLU A 115 12.078 -9.784 0.583 1.00 48.13 C ATOM 1090 CD GLU A 115 12.843 -10.102 -0.692 1.00 73.64 C ATOM 1091 OE1 GLU A 115 12.209 -10.539 -1.680 1.00 65.96 O ATOM 1092 OE2 GLU A 115 14.078 -9.893 -0.706 1.00 67.57 O ATOM 1093 H GLU A 115 13.034 -7.039 1.274 1.00 0.00 H ATOM 1094 N HIS A 116 10.196 -5.429 0.079 1.00 31.95 N ATOM 1095 CA HIS A 116 9.145 -4.451 -0.245 1.00 32.44 C ATOM 1096 C HIS A 116 9.478 -3.742 -1.566 1.00 31.20 C ATOM 1097 O HIS A 116 8.593 -3.556 -2.405 1.00 29.23 O ATOM 1098 CB HIS A 116 8.952 -3.416 0.885 1.00 34.02 C ATOM 1099 CG HIS A 116 8.119 -3.890 2.039 1.00 38.97 C ATOM 1100 ND1 HIS A 116 8.415 -3.517 3.343 1.00 40.93 N ATOM 1101 CD2 HIS A 116 7.016 -4.678 2.053 1.00 42.23 C ATOM 1102 CE1 HIS A 116 7.499 -4.097 4.102 1.00 41.04 C ATOM 1103 NE2 HIS A 116 6.635 -4.805 3.371 1.00 42.20 N ATOM 1104 H HIS A 116 10.752 -5.293 0.947 1.00 0.00 H ATOM 1105 N VAL A 117 10.768 -3.396 -1.763 1.00 24.83 N ATOM 1106 CA VAL A 117 11.253 -2.741 -2.979 1.00 23.65 C ATOM 1107 C VAL A 117 11.169 -3.715 -4.156 1.00 26.53 C ATOM 1108 O VAL A 117 10.725 -3.323 -5.237 1.00 26.96 O ATOM 1109 CB VAL A 117 12.677 -2.151 -2.800 1.00 26.61 C ATOM 1110 CG1 VAL A 117 13.223 -1.602 -4.116 1.00 26.64 C ATOM 1111 CG2 VAL A 117 12.688 -1.067 -1.729 1.00 25.91 C ATOM 1112 H VAL A 117 11.454 -3.606 -1.010 1.00 0.00 H ATOM 1113 N VAL A 118 11.571 -4.988 -3.941 1.00 22.80 N ATOM 1114 CA VAL A 118 11.507 -6.039 -4.966 1.00 22.63 C ATOM 1115 C VAL A 118 10.064 -6.116 -5.497 1.00 27.74 C ATOM 1116 O VAL A 118 9.863 -6.099 -6.715 1.00 27.87 O ATOM 1117 CB VAL A 118 12.022 -7.410 -4.453 1.00 26.01 C ATOM 1118 CG1 VAL A 118 11.891 -8.493 -5.526 1.00 26.64 C ATOM 1119 CG2 VAL A 118 13.469 -7.313 -3.987 1.00 25.26 C ATOM 1120 H VAL A 118 11.944 -5.236 -3.003 1.00 0.00 H ATOM 1121 N ASP A 119 9.074 -6.153 -4.568 1.00 26.06 N ATOM 1122 CA ASP A 119 7.649 -6.200 -4.910 1.00 26.97 C ATOM 1123 C ASP A 119 7.245 -4.985 -5.752 1.00 31.02 C ATOM 1124 O ASP A 119 6.504 -5.137 -6.728 1.00 31.09 O ATOM 1125 CB ASP A 119 6.782 -6.288 -3.640 1.00 28.96 C ATOM 1126 CG ASP A 119 6.937 -7.563 -2.825 1.00 38.87 C ATOM 1127 OD1 ASP A 119 7.339 -8.599 -3.405 1.00 39.86 O ATOM 1128 OD2 ASP A 119 6.615 -7.536 -1.617 1.00 44.05 O ATOM 1129 H ASP A 119 9.340 -6.148 -3.563 1.00 0.00 H ATOM 1130 N THR A 120 7.750 -3.777 -5.385 1.00 26.98 N ATOM 1131 CA THR A 120 7.470 -2.524 -6.101 1.00 26.46 C ATOM 1132 C THR A 120 8.034 -2.593 -7.523 1.00 30.29 C ATOM 1133 O THR A 120 7.355 -2.181 -8.467 1.00 30.33 O ATOM 1134 CB THR A 120 7.945 -1.313 -5.294 1.00 30.19 C ATOM 1135 OG1 THR A 120 7.310 -1.346 -4.013 1.00 31.87 O ATOM 1136 CG2 THR A 120 7.624 0.019 -5.976 1.00 26.07 C ATOM 1137 HG1 THR A 120 7.557 -2.183 -3.545 1.00 0.00 H ATOM 1138 H THR A 120 8.369 -3.737 -4.551 1.00 0.00 H ATOM 1139 N CYS A 121 9.253 -3.154 -7.671 1.00 26.88 N ATOM 1140 CA CYS A 121 9.901 -3.357 -8.968 1.00 27.07 C ATOM 1141 C CYS A 121 9.094 -4.308 -9.834 1.00 30.89 C ATOM 1142 O CYS A 121 8.922 -4.041 -11.026 1.00 30.56 O ATOM 1143 CB CYS A 121 11.331 -3.852 -8.788 1.00 27.07 C ATOM 1144 SG CYS A 121 12.456 -2.624 -8.087 1.00 29.69 S ATOM 1145 H CYS A 121 9.760 -3.459 -6.816 1.00 0.00 H ATOM 1146 N ARG A 122 8.590 -5.414 -9.235 1.00 28.06 N ATOM 1147 CA ARG A 122 7.760 -6.413 -9.919 1.00 29.41 C ATOM 1148 C ARG A 122 6.496 -5.745 -10.456 1.00 32.92 C ATOM 1149 O ARG A 122 6.128 -5.981 -11.607 1.00 32.91 O ATOM 1150 CB ARG A 122 7.392 -7.575 -8.977 1.00 30.96 C ATOM 1151 CG ARG A 122 8.551 -8.516 -8.676 1.00 42.00 C ATOM 1152 CD ARG A 122 8.065 -9.846 -8.134 1.00 55.34 C ATOM 1153 NE ARG A 122 9.169 -10.795 -7.980 1.00 68.50 N ATOM 1154 CZ ARG A 122 9.695 -11.158 -6.814 1.00 83.61 C ATOM 1155 NH1 ARG A 122 9.206 -10.678 -5.677 1.00 71.16 N ATOM 1156 NH2 ARG A 122 10.705 -12.018 -6.775 1.00 69.94 N ATOM 1157 HE ARG A 122 9.570 -11.215 -8.843 1.00 0.00 H ATOM 1158 HH12 ARG A 122 9.623 -10.967 -4.769 1.00 0.00 H ATOM 1159 HH11 ARG A 122 8.406 -10.013 -5.694 1.00 0.00 H ATOM 1160 HH22 ARG A 122 11.113 -12.299 -5.861 1.00 0.00 H ATOM 1161 HH21 ARG A 122 11.088 -12.411 -7.659 1.00 0.00 H ATOM 1162 H ARG A 122 8.804 -5.564 -8.229 1.00 0.00 H ATOM 1163 N LYS A 123 5.872 -4.864 -9.640 1.00 30.02 N ATOM 1164 CA LYS A 123 4.673 -4.106 -10.019 1.00 30.84 C ATOM 1165 C LYS A 123 4.976 -3.136 -11.166 1.00 34.17 C ATOM 1166 O LYS A 123 4.151 -2.995 -12.070 1.00 34.09 O ATOM 1167 CB LYS A 123 4.090 -3.349 -8.812 1.00 32.63 C ATOM 1168 CG LYS A 123 3.397 -4.250 -7.797 1.00 45.57 C ATOM 1169 CD LYS A 123 2.723 -3.437 -6.697 1.00 57.46 C ATOM 1170 CE LYS A 123 2.616 -4.184 -5.387 1.00 70.95 C ATOM 1171 NZ LYS A 123 1.658 -5.323 -5.455 1.00 81.93 N ATOM 1172 HZ1 LYS A 123 0.712 -4.965 -5.698 1.00 0.00 H ATOM 1173 HZ2 LYS A 123 1.973 -5.996 -6.183 1.00 0.00 H ATOM 1174 HZ3 LYS A 123 1.623 -5.800 -4.532 1.00 0.00 H ATOM 1175 H LYS A 123 6.265 -4.715 -8.689 1.00 0.00 H ATOM 1176 N PHE A 124 6.171 -2.496 -11.139 1.00 30.49 N ATOM 1177 CA PHE A 124 6.621 -1.566 -12.176 1.00 31.48 C ATOM 1178 C PHE A 124 6.741 -2.287 -13.528 1.00 36.21 C ATOM 1179 O PHE A 124 6.258 -1.771 -14.541 1.00 36.99 O ATOM 1180 CB PHE A 124 7.961 -0.911 -11.782 1.00 33.13 C ATOM 1181 CG PHE A 124 8.430 0.179 -12.718 1.00 35.62 C ATOM 1182 CD1 PHE A 124 9.195 -0.125 -13.841 1.00 39.80 C ATOM 1183 CD2 PHE A 124 8.111 1.509 -12.477 1.00 38.04 C ATOM 1184 CE1 PHE A 124 9.625 0.882 -14.710 1.00 41.05 C ATOM 1185 CE2 PHE A 124 8.545 2.517 -13.345 1.00 41.24 C ATOM 1186 CZ PHE A 124 9.298 2.196 -14.455 1.00 39.79 C ATOM 1187 H PHE A 124 6.805 -2.676 -10.335 1.00 0.00 H ATOM 1188 N ILE A 125 7.364 -3.481 -13.536 1.00 31.43 N ATOM 1189 CA ILE A 125 7.554 -4.296 -14.744 1.00 31.25 C ATOM 1190 C ILE A 125 6.204 -4.778 -15.313 1.00 36.49 C ATOM 1191 O ILE A 125 6.010 -4.750 -16.531 1.00 37.25 O ATOM 1192 CB ILE A 125 8.576 -5.446 -14.500 1.00 33.86 C ATOM 1193 CG1 ILE A 125 9.955 -4.851 -14.151 1.00 32.75 C ATOM 1194 CG2 ILE A 125 8.704 -6.363 -15.729 1.00 35.80 C ATOM 1195 CD1 ILE A 125 10.968 -5.763 -13.466 1.00 42.15 C ATOM 1196 H ILE A 125 7.732 -3.848 -12.635 1.00 0.00 H ATOM 1197 N LYS A 126 5.276 -5.189 -14.430 1.00 32.94 N ATOM 1198 CA LYS A 126 3.947 -5.693 -14.792 1.00 33.99 C ATOM 1199 C LYS A 126 2.968 -4.608 -15.266 1.00 37.89 C ATOM 1200 O LYS A 126 1.981 -4.936 -15.930 1.00 38.00 O ATOM 1201 CB LYS A 126 3.325 -6.449 -13.608 1.00 36.58 C ATOM 1202 CG LYS A 126 3.921 -7.824 -13.351 1.00 46.95 C ATOM 1203 CD LYS A 126 3.565 -8.301 -11.955 1.00 54.07 C ATOM 1204 CE LYS A 126 2.945 -9.673 -11.960 1.00 64.91 C ATOM 1205 NZ LYS A 126 3.842 -10.678 -11.332 1.00 72.07 N ATOM 1206 HZ1 LYS A 126 4.738 -10.719 -11.859 1.00 0.00 H ATOM 1207 HZ2 LYS A 126 4.030 -10.405 -10.346 1.00 0.00 H ATOM 1208 HZ3 LYS A 126 3.383 -11.611 -11.353 1.00 0.00 H ATOM 1209 H LYS A 126 5.518 -5.146 -13.419 1.00 0.00 H ATOM 1210 N ALA A 127 3.209 -3.334 -14.895 1.00 34.19 N ATOM 1211 CA ALA A 127 2.334 -2.199 -15.230 1.00 53.12 C ATOM 1212 C ALA A 127 2.206 -1.931 -16.729 1.00 96.34 C ATOM 1213 O ALA A 127 3.162 -2.112 -17.480 1.00 65.83 O ATOM 1214 CB ALA A 127 2.798 -0.943 -14.508 1.00 52.61 C ATOM 1215 H ALA A 127 4.066 -3.142 -14.338 1.00 0.00 H TER 1216 ALA A 127 ATOM 1217 N ILE B 9 8.272 6.975 -6.829 1.00 44.42 N ATOM 1218 CA ILE B 9 7.381 6.197 -5.968 1.00 43.77 C ATOM 1219 C ILE B 9 7.669 6.508 -4.491 1.00 45.27 C ATOM 1220 O ILE B 9 8.823 6.430 -4.069 1.00 44.15 O ATOM 1221 CB ILE B 9 7.442 4.674 -6.305 1.00 47.55 C ATOM 1222 CG1 ILE B 9 7.069 4.429 -7.797 1.00 49.41 C ATOM 1223 CG2 ILE B 9 6.533 3.855 -5.365 1.00 48.51 C ATOM 1224 CD1 ILE B 9 7.347 3.025 -8.371 1.00 56.69 C ATOM 1225 HN3 ILE B 9 9.260 6.731 -6.615 1.00 0.00 H ATOM 1226 HN2 ILE B 9 8.119 7.989 -6.657 1.00 0.00 H ATOM 1227 HN1 ILE B 9 8.068 6.756 -7.825 1.00 0.00 H ATOM 1228 N GLN B 10 6.619 6.876 -3.724 1.00 40.90 N ATOM 1229 CA GLN B 10 6.700 7.217 -2.297 1.00 39.60 C ATOM 1230 C GLN B 10 6.191 6.074 -1.407 1.00 41.01 C ATOM 1231 O GLN B 10 5.065 5.596 -1.583 1.00 40.93 O ATOM 1232 CB GLN B 10 5.950 8.544 -2.004 1.00 41.36 C ATOM 1233 CG GLN B 10 5.761 8.914 -0.512 1.00 55.47 C ATOM 1234 CD GLN B 10 7.030 9.146 0.286 1.00 74.67 C ATOM 1235 OE1 GLN B 10 8.070 9.574 -0.231 1.00 71.48 O ATOM 1236 NE2 GLN B 10 6.951 8.916 1.590 1.00 64.65 N ATOM 1237 HE22 GLN B 10 6.066 8.556 2.002 1.00 0.00 H ATOM 1238 HE21 GLN B 10 7.774 9.095 2.200 1.00 0.00 H ATOM 1239 H GLN B 10 5.684 6.921 -4.177 1.00 0.00 H ATOM 1240 N PHE B 11 7.033 5.657 -0.444 1.00 34.55 N ATOM 1241 CA PHE B 11 6.743 4.600 0.523 1.00 32.86 C ATOM 1242 C PHE B 11 6.376 5.305 1.833 1.00 35.81 C ATOM 1243 O PHE B 11 7.253 5.793 2.544 1.00 34.10 O ATOM 1244 CB PHE B 11 7.971 3.667 0.684 1.00 33.27 C ATOM 1245 CG PHE B 11 8.261 2.725 -0.470 1.00 34.58 C ATOM 1246 CD1 PHE B 11 8.497 3.215 -1.753 1.00 37.40 C ATOM 1247 CD2 PHE B 11 8.359 1.353 -0.261 1.00 35.86 C ATOM 1248 CE1 PHE B 11 8.775 2.345 -2.814 1.00 38.26 C ATOM 1249 CE2 PHE B 11 8.651 0.485 -1.321 1.00 38.92 C ATOM 1250 CZ PHE B 11 8.866 0.989 -2.587 1.00 37.04 C ATOM 1251 H PHE B 11 7.961 6.122 -0.383 1.00 0.00 H ATOM 1252 N THR B 12 5.060 5.429 2.103 1.00 33.45 N ATOM 1253 CA THR B 12 4.530 6.152 3.268 1.00 32.63 C ATOM 1254 C THR B 12 4.961 5.569 4.623 1.00 34.11 C ATOM 1255 O THR B 12 5.132 6.331 5.568 1.00 33.73 O ATOM 1256 CB THR B 12 3.008 6.295 3.188 1.00 44.48 C ATOM 1257 OG1 THR B 12 2.409 4.997 3.197 1.00 46.21 O ATOM 1258 CG2 THR B 12 2.556 7.090 1.960 1.00 44.79 C ATOM 1259 HG1 THR B 12 1.425 5.089 3.145 1.00 0.00 H ATOM 1260 H THR B 12 4.382 4.988 1.450 1.00 0.00 H ATOM 1261 N ARG B 13 5.133 4.242 4.715 1.00 29.12 N ATOM 1262 CA ARG B 13 5.523 3.575 5.962 1.00 27.20 C ATOM 1263 C ARG B 13 7.045 3.521 6.170 1.00 26.74 C ATOM 1264 O ARG B 13 7.477 3.176 7.268 1.00 25.15 O ATOM 1265 CB ARG B 13 4.937 2.147 6.025 1.00 29.07 C ATOM 1266 CG ARG B 13 3.416 2.075 5.845 1.00 45.18 C ATOM 1267 CD ARG B 13 2.949 0.699 5.390 1.00 60.83 C ATOM 1268 NE ARG B 13 3.737 0.188 4.265 1.00 72.53 N ATOM 1269 CZ ARG B 13 4.158 -1.068 4.151 1.00 89.45 C ATOM 1270 NH1 ARG B 13 3.847 -1.967 5.079 1.00 76.81 N ATOM 1271 NH2 ARG B 13 4.883 -1.439 3.105 1.00 77.74 N ATOM 1272 HE ARG B 13 3.984 0.853 3.504 1.00 0.00 H ATOM 1273 HH12 ARG B 13 4.179 -2.948 4.985 1.00 0.00 H ATOM 1274 HH11 ARG B 13 3.272 -1.690 5.900 1.00 0.00 H ATOM 1275 HH22 ARG B 13 5.210 -2.423 3.021 1.00 0.00 H ATOM 1276 HH21 ARG B 13 5.125 -0.746 2.368 1.00 0.00 H ATOM 1277 H ARG B 13 4.983 3.661 3.866 1.00 0.00 H ATOM 1278 N HIS B 14 7.848 3.848 5.127 1.00 21.71 N ATOM 1279 CA HIS B 14 9.319 3.754 5.183 1.00 19.73 C ATOM 1280 C HIS B 14 9.981 4.444 6.372 1.00 21.74 C ATOM 1281 O HIS B 14 10.738 3.787 7.093 1.00 19.39 O ATOM 1282 CB HIS B 14 9.986 4.234 3.888 1.00 20.29 C ATOM 1283 CG HIS B 14 11.470 4.004 3.889 1.00 22.21 C ATOM 1284 ND1 HIS B 14 12.002 2.724 3.879 1.00 23.47 N ATOM 1285 CD2 HIS B 14 12.485 4.898 3.941 1.00 22.64 C ATOM 1286 CE1 HIS B 14 13.320 2.885 3.915 1.00 22.27 C ATOM 1287 NE2 HIS B 14 13.657 4.173 3.935 1.00 21.82 N ATOM 1288 H HIS B 14 7.406 4.181 4.246 1.00 0.00 H ATOM 1289 N ALA B 15 9.763 5.760 6.550 1.00 18.69 N ATOM 1290 CA ALA B 15 10.410 6.485 7.649 1.00 18.20 C ATOM 1291 C ALA B 15 10.079 5.901 9.024 1.00 20.91 C ATOM 1292 O ALA B 15 10.993 5.759 9.842 1.00 20.56 O ATOM 1293 CB ALA B 15 10.072 7.963 7.593 1.00 19.81 C ATOM 1294 H ALA B 15 9.129 6.269 5.901 1.00 0.00 H ATOM 1295 N SER B 16 8.786 5.537 9.264 1.00 19.37 N ATOM 1296 CA SER B 16 8.380 4.941 10.535 1.00 18.70 C ATOM 1297 C SER B 16 9.027 3.566 10.697 1.00 21.78 C ATOM 1298 O SER B 16 9.442 3.229 11.801 1.00 22.87 O ATOM 1299 CB SER B 16 6.860 4.864 10.659 1.00 22.13 C ATOM 1300 OG SER B 16 6.268 4.198 9.558 1.00 30.52 O ATOM 1301 HG SER B 16 6.485 4.685 8.724 1.00 0.00 H ATOM 1302 H SER B 16 8.071 5.688 8.524 1.00 0.00 H ATOM 1303 N ASP B 17 9.171 2.802 9.591 1.00 20.03 N ATOM 1304 CA ASP B 17 9.830 1.488 9.612 1.00 19.73 C ATOM 1305 C ASP B 17 11.309 1.657 10.002 1.00 20.35 C ATOM 1306 O ASP B 17 11.820 0.867 10.804 1.00 20.00 O ATOM 1307 CB ASP B 17 9.743 0.782 8.243 1.00 22.35 C ATOM 1308 CG ASP B 17 8.388 0.205 7.865 1.00 34.51 C ATOM 1309 OD1 ASP B 17 7.550 -0.001 8.773 1.00 35.41 O ATOM 1310 OD2 ASP B 17 8.175 -0.064 6.662 1.00 42.10 O ATOM 1311 H ASP B 17 8.800 3.159 8.687 1.00 0.00 H ATOM 1312 N VAL B 18 11.997 2.677 9.420 1.00 15.12 N ATOM 1313 CA VAL B 18 13.413 2.968 9.719 1.00 14.09 C ATOM 1314 C VAL B 18 13.525 3.282 11.214 1.00 19.85 C ATOM 1315 O VAL B 18 14.367 2.688 11.896 1.00 18.82 O ATOM 1316 CB VAL B 18 14.003 4.118 8.843 1.00 17.58 C ATOM 1317 CG1 VAL B 18 15.394 4.557 9.328 1.00 17.22 C ATOM 1318 CG2 VAL B 18 14.066 3.705 7.376 1.00 17.50 C ATOM 1319 H VAL B 18 11.502 3.280 8.732 1.00 0.00 H ATOM 1320 N LEU B 19 12.673 4.200 11.723 1.00 17.32 N ATOM 1321 CA LEU B 19 12.715 4.564 13.144 1.00 17.39 C ATOM 1322 C LEU B 19 12.484 3.359 14.078 1.00 21.08 C ATOM 1323 O LEU B 19 13.218 3.211 15.063 1.00 18.27 O ATOM 1324 CB LEU B 19 11.771 5.726 13.463 1.00 17.74 C ATOM 1325 CG LEU B 19 12.105 6.506 14.740 1.00 21.00 C ATOM 1326 CD1 LEU B 19 13.443 7.249 14.625 1.00 20.20 C ATOM 1327 CD2 LEU B 19 11.001 7.481 15.090 1.00 23.85 C ATOM 1328 H LEU B 19 11.977 4.655 11.098 1.00 0.00 H ATOM 1329 N LEU B 20 11.520 2.480 13.727 1.00 20.43 N ATOM 1330 CA LEU B 20 11.210 1.243 14.464 1.00 20.98 C ATOM 1331 C LEU B 20 12.459 0.360 14.531 1.00 21.06 C ATOM 1332 O LEU B 20 12.809 -0.135 15.601 1.00 19.46 O ATOM 1333 CB LEU B 20 10.049 0.485 13.794 1.00 22.71 C ATOM 1334 CG LEU B 20 9.438 -0.694 14.563 1.00 29.57 C ATOM 1335 CD1 LEU B 20 8.632 -0.213 15.765 1.00 30.88 C ATOM 1336 CD2 LEU B 20 8.526 -1.500 13.659 1.00 32.90 C ATOM 1337 H LEU B 20 10.958 2.691 12.878 1.00 0.00 H ATOM 1338 N ASN B 21 13.148 0.212 13.389 1.00 17.14 N ATOM 1339 CA ASN B 21 14.369 -0.582 13.319 1.00 16.86 C ATOM 1340 C ASN B 21 15.518 0.051 14.080 1.00 18.66 C ATOM 1341 O ASN B 21 16.281 -0.679 14.719 1.00 19.60 O ATOM 1342 CB ASN B 21 14.729 -0.912 11.881 1.00 16.40 C ATOM 1343 CG ASN B 21 13.904 -2.054 11.331 1.00 30.84 C ATOM 1344 OD1 ASN B 21 13.249 -2.800 12.072 1.00 24.26 O ATOM 1345 ND2 ASN B 21 13.923 -2.230 10.015 1.00 26.95 N ATOM 1346 HD22 ASN B 21 14.480 -1.591 9.413 1.00 0.00 H ATOM 1347 HD21 ASN B 21 13.381 -3.007 9.586 1.00 0.00 H ATOM 1348 H ASN B 21 12.800 0.678 12.527 1.00 0.00 H ATOM 1349 N LEU B 22 15.613 1.405 14.090 1.00 14.67 N ATOM 1350 CA LEU B 22 16.658 2.084 14.868 1.00 13.07 C ATOM 1351 C LEU B 22 16.417 1.865 16.360 1.00 16.57 C ATOM 1352 O LEU B 22 17.370 1.631 17.102 1.00 15.72 O ATOM 1353 CB LEU B 22 16.730 3.589 14.551 1.00 12.99 C ATOM 1354 CG LEU B 22 17.196 3.960 13.126 1.00 17.43 C ATOM 1355 CD1 LEU B 22 17.060 5.452 12.880 1.00 17.87 C ATOM 1356 CD2 LEU B 22 18.642 3.545 12.881 1.00 20.16 C ATOM 1357 H LEU B 22 14.936 1.970 13.539 1.00 0.00 H ATOM 1358 N ASN B 23 15.135 1.883 16.783 1.00 14.72 N ATOM 1359 CA ASN B 23 14.776 1.657 18.177 1.00 15.31 C ATOM 1360 C ASN B 23 15.105 0.215 18.593 1.00 18.92 C ATOM 1361 O ASN B 23 15.573 -0.002 19.709 1.00 19.69 O ATOM 1362 CB ASN B 23 13.309 2.012 18.439 1.00 17.52 C ATOM 1363 CG ASN B 23 13.001 2.151 19.910 1.00 27.26 C ATOM 1364 OD1 ASN B 23 13.857 2.540 20.722 1.00 25.49 O ATOM 1365 ND2 ASN B 23 11.786 1.795 20.291 1.00 25.39 N ATOM 1366 HD22 ASN B 23 11.093 1.474 19.585 1.00 0.00 H ATOM 1367 HD21 ASN B 23 11.523 1.836 21.296 1.00 0.00 H ATOM 1368 H ASN B 23 14.379 2.064 16.092 1.00 0.00 H ATOM 1369 N ARG B 24 14.952 -0.742 17.669 1.00 15.47 N ATOM 1370 CA ARG B 24 15.287 -2.154 17.907 1.00 15.39 C ATOM 1371 C ARG B 24 16.801 -2.273 18.105 1.00 19.13 C ATOM 1372 O ARG B 24 17.245 -3.013 18.984 1.00 19.33 O ATOM 1373 CB ARG B 24 14.847 -3.021 16.725 1.00 17.13 C ATOM 1374 CG ARG B 24 13.346 -3.262 16.677 1.00 21.86 C ATOM 1375 CD ARG B 24 12.938 -3.990 15.406 1.00 25.62 C ATOM 1376 NE ARG B 24 11.575 -4.508 15.505 1.00 29.05 N ATOM 1377 CZ ARG B 24 10.726 -4.598 14.488 1.00 44.26 C ATOM 1378 NH1 ARG B 24 11.089 -4.203 13.273 1.00 31.02 N ATOM 1379 NH2 ARG B 24 9.506 -5.083 14.676 1.00 30.20 N ATOM 1380 HE ARG B 24 11.247 -4.829 16.438 1.00 0.00 H ATOM 1381 HH12 ARG B 24 10.419 -4.276 12.481 1.00 0.00 H ATOM 1382 HH11 ARG B 24 12.043 -3.821 13.114 1.00 0.00 H ATOM 1383 HH22 ARG B 24 8.845 -5.151 13.876 1.00 0.00 H ATOM 1384 HH21 ARG B 24 9.211 -5.395 15.623 1.00 0.00 H ATOM 1385 H ARG B 24 14.578 -0.473 16.737 1.00 0.00 H ATOM 1386 N LEU B 25 17.598 -1.521 17.306 1.00 15.40 N ATOM 1387 CA LEU B 25 19.056 -1.546 17.470 1.00 14.80 C ATOM 1388 C LEU B 25 19.427 -0.997 18.847 1.00 19.79 C ATOM 1389 O LEU B 25 20.292 -1.564 19.516 1.00 19.70 O ATOM 1390 CB LEU B 25 19.770 -0.741 16.368 1.00 15.03 C ATOM 1391 CG LEU B 25 19.637 -1.252 14.926 1.00 19.70 C ATOM 1392 CD1 LEU B 25 20.396 -0.349 13.971 1.00 21.29 C ATOM 1393 CD2 LEU B 25 20.081 -2.715 14.786 1.00 20.59 C ATOM 1394 H LEU B 25 17.172 -0.921 16.571 1.00 0.00 H ATOM 1395 N ARG B 26 18.752 0.088 19.278 1.00 17.13 N ATOM 1396 CA ARG B 26 18.991 0.687 20.588 1.00 16.30 C ATOM 1397 C ARG B 26 18.704 -0.340 21.695 1.00 21.14 C ATOM 1398 O ARG B 26 19.562 -0.527 22.563 1.00 18.90 O ATOM 1399 CB ARG B 26 18.159 1.960 20.781 1.00 16.64 C ATOM 1400 CG ARG B 26 18.385 2.582 22.172 1.00 21.70 C ATOM 1401 CD ARG B 26 17.734 3.933 22.337 1.00 24.15 C ATOM 1402 NE ARG B 26 16.274 3.864 22.295 1.00 28.74 N ATOM 1403 CZ ARG B 26 15.479 4.096 23.334 1.00 41.11 C ATOM 1404 NH1 ARG B 26 15.995 4.411 24.517 1.00 26.86 N ATOM 1405 NH2 ARG B 26 14.163 4.019 23.199 1.00 30.38 N ATOM 1406 HE ARG B 26 15.827 3.616 21.389 1.00 0.00 H ATOM 1407 HH12 ARG B 26 15.368 4.591 25.327 1.00 0.00 H ATOM 1408 HH11 ARG B 26 17.026 4.477 24.634 1.00 0.00 H ATOM 1409 HH22 ARG B 26 13.545 4.201 24.015 1.00 0.00 H ATOM 1410 HH21 ARG B 26 13.748 3.776 22.277 1.00 0.00 H ATOM 1411 H ARG B 26 18.036 0.513 18.655 1.00 0.00 H ATOM 1412 N SER B 27 17.524 -1.015 21.632 1.00 20.94 N ATOM 1413 CA SER B 27 17.134 -2.014 22.634 1.00 21.96 C ATOM 1414 C SER B 27 18.143 -3.158 22.740 1.00 25.34 C ATOM 1415 O SER B 27 18.380 -3.649 23.848 1.00 25.84 O ATOM 1416 CB SER B 27 15.735 -2.555 22.357 1.00 26.33 C ATOM 1417 OG SER B 27 15.724 -3.466 21.271 1.00 35.06 O ATOM 1418 HG SER B 27 16.047 -3.008 20.455 1.00 0.00 H ATOM 1419 H SER B 27 16.874 -0.816 20.845 1.00 0.00 H ATOM 1420 N ARG B 28 18.748 -3.562 21.596 1.00 20.30 N ATOM 1421 CA ARG B 28 19.718 -4.658 21.506 1.00 19.47 C ATOM 1422 C ARG B 28 21.161 -4.180 21.695 1.00 22.26 C ATOM 1423 O ARG B 28 22.094 -4.987 21.602 1.00 20.80 O ATOM 1424 CB ARG B 28 19.576 -5.384 20.157 1.00 18.46 C ATOM 1425 CG ARG B 28 18.239 -6.080 19.975 1.00 23.59 C ATOM 1426 CD ARG B 28 18.071 -6.647 18.581 1.00 26.93 C ATOM 1427 NE ARG B 28 16.663 -6.946 18.320 1.00 32.46 N ATOM 1428 CZ ARG B 28 16.055 -6.771 17.152 1.00 46.66 C ATOM 1429 NH1 ARG B 28 16.731 -6.313 16.104 1.00 33.95 N ATOM 1430 NH2 ARG B 28 14.768 -7.055 17.020 1.00 33.74 N ATOM 1431 HE ARG B 28 16.097 -7.323 19.106 1.00 0.00 H ATOM 1432 HH12 ARG B 28 16.249 -6.178 15.193 1.00 0.00 H ATOM 1433 HH11 ARG B 28 17.743 -6.089 16.195 1.00 0.00 H ATOM 1434 HH22 ARG B 28 14.296 -6.916 16.104 1.00 0.00 H ATOM 1435 HH21 ARG B 28 14.229 -7.417 17.833 1.00 0.00 H ATOM 1436 H ARG B 28 18.507 -3.058 20.719 1.00 0.00 H ATOM 1437 N ASP B 29 21.348 -2.868 21.944 1.00 19.04 N ATOM 1438 CA ASP B 29 22.659 -2.255 22.130 1.00 18.75 C ATOM 1439 C ASP B 29 23.575 -2.477 20.923 1.00 21.03 C ATOM 1440 O ASP B 29 24.771 -2.711 21.088 1.00 21.78 O ATOM 1441 CB ASP B 29 23.320 -2.719 23.449 1.00 21.20 C ATOM 1442 CG ASP B 29 24.287 -1.705 24.021 1.00 28.95 C ATOM 1443 OD1 ASP B 29 24.023 -0.489 23.886 1.00 27.62 O ATOM 1444 OD2 ASP B 29 25.280 -2.125 24.653 1.00 36.19 O ATOM 1445 H ASP B 29 20.509 -2.257 22.007 1.00 0.00 H ATOM 1446 N ILE B 30 23.003 -2.420 19.700 1.00 15.93 N ATOM 1447 CA ILE B 30 23.778 -2.598 18.476 1.00 15.41 C ATOM 1448 C ILE B 30 24.203 -1.242 17.929 1.00 17.16 C ATOM 1449 O ILE B 30 23.346 -0.426 17.578 1.00 16.40 O ATOM 1450 CB ILE B 30 23.034 -3.435 17.406 1.00 18.83 C ATOM 1451 CG1 ILE B 30 22.781 -4.872 17.927 1.00 20.47 C ATOM 1452 CG2 ILE B 30 23.832 -3.469 16.089 1.00 20.07 C ATOM 1453 CD1 ILE B 30 21.793 -5.671 17.102 1.00 27.43 C ATOM 1454 H ILE B 30 21.980 -2.244 19.629 1.00 0.00 H ATOM 1455 N LEU B 31 25.531 -1.034 17.824 1.00 13.83 N ATOM 1456 CA LEU B 31 26.168 0.161 17.270 1.00 14.34 C ATOM 1457 C LEU B 31 25.840 1.441 18.016 1.00 16.45 C ATOM 1458 O LEU B 31 26.045 2.542 17.494 1.00 16.71 O ATOM 1459 CB LEU B 31 25.901 0.315 15.759 1.00 15.28 C ATOM 1460 CG LEU B 31 26.637 -0.678 14.863 1.00 20.84 C ATOM 1461 CD1 LEU B 31 26.168 -0.544 13.458 1.00 21.76 C ATOM 1462 CD2 LEU B 31 28.153 -0.473 14.924 1.00 24.24 C ATOM 1463 H LEU B 31 26.158 -1.790 18.167 1.00 0.00 H ATOM 1464 N THR B 32 25.427 1.310 19.276 1.00 15.04 N ATOM 1465 CA THR B 32 25.233 2.481 20.125 1.00 13.45 C ATOM 1466 C THR B 32 26.653 3.004 20.311 1.00 16.86 C ATOM 1467 O THR B 32 27.593 2.213 20.467 1.00 17.01 O ATOM 1468 CB THR B 32 24.579 2.107 21.463 1.00 17.94 C ATOM 1469 OG1 THR B 32 25.236 0.952 21.982 1.00 21.00 O ATOM 1470 CG2 THR B 32 23.067 1.874 21.332 1.00 16.51 C ATOM 1471 HG1 THR B 32 24.824 0.699 22.846 1.00 0.00 H ATOM 1472 H THR B 32 25.241 0.361 19.659 1.00 0.00 H ATOM 1473 N ASP B 33 26.829 4.316 20.157 1.00 13.49 N ATOM 1474 CA ASP B 33 28.172 4.892 20.193 1.00 13.35 C ATOM 1475 C ASP B 33 28.355 6.025 21.188 1.00 15.61 C ATOM 1476 O ASP B 33 29.402 6.670 21.187 1.00 14.53 O ATOM 1477 CB ASP B 33 28.588 5.337 18.782 1.00 15.57 C ATOM 1478 CG ASP B 33 27.655 6.331 18.121 1.00 23.51 C ATOM 1479 OD1 ASP B 33 26.580 6.614 18.695 1.00 19.71 O ATOM 1480 OD2 ASP B 33 27.981 6.796 17.005 1.00 28.28 O ATOM 1481 H ASP B 33 26.006 4.934 20.010 1.00 0.00 H ATOM 1482 N VAL B 34 27.391 6.211 22.093 1.00 12.43 N ATOM 1483 CA VAL B 34 27.499 7.205 23.156 1.00 11.30 C ATOM 1484 C VAL B 34 26.649 6.795 24.345 1.00 15.70 C ATOM 1485 O VAL B 34 25.585 6.181 24.174 1.00 15.00 O ATOM 1486 CB VAL B 34 27.181 8.663 22.673 1.00 14.10 C ATOM 1487 CG1 VAL B 34 25.685 8.858 22.381 1.00 13.71 C ATOM 1488 CG2 VAL B 34 27.695 9.727 23.658 1.00 13.57 C ATOM 1489 H VAL B 34 26.532 5.627 22.038 1.00 0.00 H ATOM 1490 N VAL B 35 27.117 7.159 25.543 1.00 12.76 N ATOM 1491 CA VAL B 35 26.351 7.033 26.768 1.00 12.71 C ATOM 1492 C VAL B 35 26.070 8.467 27.231 1.00 15.82 C ATOM 1493 O VAL B 35 27.002 9.252 27.389 1.00 14.94 O ATOM 1494 CB VAL B 35 27.055 6.210 27.876 1.00 15.61 C ATOM 1495 CG1 VAL B 35 26.231 6.212 29.165 1.00 16.10 C ATOM 1496 CG2 VAL B 35 27.292 4.781 27.420 1.00 15.47 C ATOM 1497 H VAL B 35 28.078 7.552 25.599 1.00 0.00 H ATOM 1498 N ILE B 36 24.799 8.817 27.380 1.00 11.23 N ATOM 1499 CA ILE B 36 24.407 10.137 27.900 1.00 11.26 C ATOM 1500 C ILE B 36 24.184 9.927 29.382 1.00 15.60 C ATOM 1501 O ILE B 36 23.380 9.063 29.766 1.00 15.07 O ATOM 1502 CB ILE B 36 23.121 10.706 27.228 1.00 13.66 C ATOM 1503 CG1 ILE B 36 23.215 10.690 25.673 1.00 12.96 C ATOM 1504 CG2 ILE B 36 22.799 12.114 27.773 1.00 14.94 C ATOM 1505 CD1 ILE B 36 24.428 11.436 25.059 1.00 16.16 C ATOM 1506 H ILE B 36 24.056 8.137 27.121 1.00 0.00 H ATOM 1507 N VAL B 37 24.917 10.681 30.209 1.00 13.85 N ATOM 1508 CA VAL B 37 24.775 10.569 31.658 1.00 14.18 C ATOM 1509 C VAL B 37 23.972 11.744 32.181 1.00 18.29 C ATOM 1510 O VAL B 37 24.321 12.893 31.921 1.00 18.26 O ATOM 1511 CB VAL B 37 26.132 10.400 32.392 1.00 17.61 C ATOM 1512 CG1 VAL B 37 25.931 10.344 33.908 1.00 18.06 C ATOM 1513 CG2 VAL B 37 26.864 9.151 31.905 1.00 17.68 C ATOM 1514 H VAL B 37 25.600 11.358 29.813 1.00 0.00 H ATOM 1515 N VAL B 38 22.880 11.447 32.903 1.00 15.95 N ATOM 1516 CA VAL B 38 22.010 12.464 33.495 1.00 16.12 C ATOM 1517 C VAL B 38 21.898 12.139 34.981 1.00 22.10 C ATOM 1518 O VAL B 38 21.357 11.086 35.330 1.00 19.58 O ATOM 1519 CB VAL B 38 20.610 12.503 32.813 1.00 19.18 C ATOM 1520 CG1 VAL B 38 19.862 13.774 33.201 1.00 19.53 C ATOM 1521 CG2 VAL B 38 20.712 12.385 31.293 1.00 18.18 C ATOM 1522 H VAL B 38 22.641 10.445 33.049 1.00 0.00 H ATOM 1523 N SER B 39 22.453 13.012 35.852 1.00 23.09 N ATOM 1524 CA SER B 39 22.477 12.798 37.307 1.00 25.59 C ATOM 1525 C SER B 39 22.793 11.330 37.672 1.00 31.25 C ATOM 1526 O SER B 39 22.025 10.675 38.382 1.00 33.93 O ATOM 1527 CB SER B 39 21.184 13.288 37.957 1.00 32.22 C ATOM 1528 OG SER B 39 21.199 14.700 38.095 1.00 47.53 O ATOM 1529 HG SER B 39 21.288 15.117 37.201 1.00 0.00 H ATOM 1530 H SER B 39 22.885 13.879 35.474 1.00 0.00 H ATOM 1531 N ARG B 40 23.902 10.810 37.113 1.00 26.24 N ATOM 1532 CA ARG B 40 24.448 9.450 37.270 1.00 25.21 C ATOM 1533 C ARG B 40 23.718 8.359 36.454 1.00 26.43 C ATOM 1534 O ARG B 40 24.324 7.308 36.241 1.00 25.37 O ATOM 1535 CB ARG B 40 24.593 9.012 38.750 1.00 26.06 C ATOM 1536 CG ARG B 40 25.389 9.974 39.656 1.00 28.92 C ATOM 1537 CD ARG B 40 26.802 10.288 39.183 1.00 29.40 C ATOM 1538 NE ARG B 40 27.647 9.095 39.131 1.00 30.28 N ATOM 1539 CZ ARG B 40 28.795 9.011 38.466 1.00 38.80 C ATOM 1540 NH1 ARG B 40 29.253 10.054 37.783 1.00 25.09 N ATOM 1541 NH2 ARG B 40 29.495 7.885 38.479 1.00 21.92 N ATOM 1542 HE ARG B 40 27.327 8.253 39.651 1.00 0.00 H ATOM 1543 HH12 ARG B 40 30.152 9.982 37.265 1.00 0.00 H ATOM 1544 HH11 ARG B 40 28.713 10.943 37.766 1.00 0.00 H ATOM 1545 HH22 ARG B 40 30.393 7.825 37.957 1.00 0.00 H ATOM 1546 HH21 ARG B 40 29.147 7.062 39.011 1.00 0.00 H ATOM 1547 H ARG B 40 24.441 11.448 36.493 1.00 0.00 H ATOM 1548 N GLU B 41 22.451 8.582 35.992 1.00 21.20 N ATOM 1549 CA GLU B 41 21.743 7.586 35.174 1.00 20.38 C ATOM 1550 C GLU B 41 22.366 7.586 33.791 1.00 21.70 C ATOM 1551 O GLU B 41 22.717 8.648 33.279 1.00 20.29 O ATOM 1552 CB GLU B 41 20.244 7.900 35.044 1.00 22.07 C ATOM 1553 CG GLU B 41 19.430 7.669 36.303 1.00 34.07 C ATOM 1554 CD GLU B 41 17.935 7.537 36.076 1.00 50.84 C ATOM 1555 OE1 GLU B 41 17.522 7.237 34.930 1.00 36.40 O ATOM 1556 OE2 GLU B 41 17.172 7.727 37.051 1.00 47.50 O ATOM 1557 H GLU B 41 21.976 9.478 36.225 1.00 0.00 H ATOM 1558 N GLN B 42 22.519 6.400 33.200 1.00 18.11 N ATOM 1559 CA GLN B 42 23.153 6.224 31.898 1.00 17.90 C ATOM 1560 C GLN B 42 22.144 5.831 30.834 1.00 21.38 C ATOM 1561 O GLN B 42 21.316 4.947 31.058 1.00 22.92 O ATOM 1562 CB GLN B 42 24.249 5.157 31.980 1.00 19.00 C ATOM 1563 CG GLN B 42 25.403 5.537 32.914 1.00 17.86 C ATOM 1564 CD GLN B 42 26.460 4.467 32.989 1.00 28.34 C ATOM 1565 OE1 GLN B 42 26.572 3.596 32.116 1.00 19.33 O ATOM 1566 NE2 GLN B 42 27.273 4.517 34.039 1.00 22.60 N ATOM 1567 HE22 GLN B 42 27.152 5.262 34.755 1.00 0.00 H ATOM 1568 HE21 GLN B 42 28.030 3.812 34.145 1.00 0.00 H ATOM 1569 H GLN B 42 22.167 5.555 33.694 1.00 0.00 H ATOM 1570 N PHE B 43 22.247 6.465 29.666 1.00 16.21 N ATOM 1571 CA PHE B 43 21.376 6.202 28.535 1.00 15.31 C ATOM 1572 C PHE B 43 22.239 5.905 27.305 1.00 17.71 C ATOM 1573 O PHE B 43 22.942 6.790 26.822 1.00 17.37 O ATOM 1574 CB PHE B 43 20.449 7.408 28.274 1.00 16.58 C ATOM 1575 CG PHE B 43 19.564 7.743 29.445 1.00 18.42 C ATOM 1576 CD1 PHE B 43 20.004 8.602 30.448 1.00 20.95 C ATOM 1577 CD2 PHE B 43 18.301 7.175 29.567 1.00 21.07 C ATOM 1578 CE1 PHE B 43 19.199 8.882 31.555 1.00 22.47 C ATOM 1579 CE2 PHE B 43 17.493 7.466 30.668 1.00 23.72 C ATOM 1580 CZ PHE B 43 17.943 8.323 31.650 1.00 21.78 C ATOM 1581 H PHE B 43 22.990 7.185 29.560 1.00 0.00 H ATOM 1582 N ARG B 44 22.168 4.675 26.793 1.00 13.89 N ATOM 1583 CA ARG B 44 22.930 4.279 25.602 1.00 12.57 C ATOM 1584 C ARG B 44 22.174 4.714 24.340 1.00 15.70 C ATOM 1585 O ARG B 44 20.953 4.554 24.259 1.00 15.07 O ATOM 1586 CB ARG B 44 23.227 2.761 25.617 1.00 13.61 C ATOM 1587 CG ARG B 44 23.856 2.324 26.944 1.00 16.92 C ATOM 1588 CD ARG B 44 24.158 0.840 27.012 1.00 19.09 C ATOM 1589 NE ARG B 44 25.290 0.463 26.168 1.00 16.77 N ATOM 1590 CZ ARG B 44 26.569 0.552 26.528 1.00 22.73 C ATOM 1591 NH1 ARG B 44 26.901 1.046 27.717 1.00 19.36 N ATOM 1592 NH2 ARG B 44 27.522 0.174 25.695 1.00 17.37 N ATOM 1593 HE ARG B 44 25.081 0.099 25.217 1.00 0.00 H ATOM 1594 HH12 ARG B 44 27.902 1.112 27.991 1.00 0.00 H ATOM 1595 HH11 ARG B 44 26.160 1.366 28.373 1.00 0.00 H ATOM 1596 HH22 ARG B 44 28.520 0.245 25.980 1.00 0.00 H ATOM 1597 HH21 ARG B 44 27.275 -0.195 24.755 1.00 0.00 H ATOM 1598 H ARG B 44 21.553 3.974 27.253 1.00 0.00 H ATOM 1599 N ALA B 45 22.870 5.328 23.376 1.00 12.97 N ATOM 1600 CA ALA B 45 22.180 5.830 22.183 1.00 12.45 C ATOM 1601 C ALA B 45 23.071 5.901 20.957 1.00 15.63 C ATOM 1602 O ALA B 45 24.274 5.632 21.031 1.00 16.03 O ATOM 1603 CB ALA B 45 21.591 7.219 22.475 1.00 13.69 C ATOM 1604 H ALA B 45 23.898 5.449 23.473 1.00 0.00 H ATOM 1605 N HIS B 46 22.472 6.283 19.831 1.00 12.07 N ATOM 1606 CA HIS B 46 23.189 6.500 18.579 1.00 11.37 C ATOM 1607 C HIS B 46 23.322 8.000 18.393 1.00 13.98 C ATOM 1608 O HIS B 46 22.310 8.692 18.373 1.00 13.62 O ATOM 1609 CB HIS B 46 22.437 5.895 17.386 1.00 11.99 C ATOM 1610 CG HIS B 46 22.161 4.431 17.537 1.00 15.07 C ATOM 1611 ND1 HIS B 46 20.956 3.980 18.038 1.00 16.75 N ATOM 1612 CD2 HIS B 46 22.955 3.367 17.279 1.00 16.09 C ATOM 1613 CE1 HIS B 46 21.042 2.654 18.042 1.00 17.00 C ATOM 1614 NE2 HIS B 46 22.228 2.244 17.596 1.00 16.76 N ATOM 1615 H HIS B 46 21.443 6.434 19.845 1.00 0.00 H ATOM 1616 N LYS B 47 24.566 8.506 18.263 1.00 11.14 N ATOM 1617 CA LYS B 47 24.789 9.956 18.056 1.00 9.89 C ATOM 1618 C LYS B 47 23.980 10.486 16.859 1.00 14.31 C ATOM 1619 O LYS B 47 23.495 11.610 16.926 1.00 15.23 O ATOM 1620 CB LYS B 47 26.278 10.254 17.828 1.00 11.53 C ATOM 1621 CG LYS B 47 27.156 10.005 19.035 1.00 12.74 C ATOM 1622 CD LYS B 47 28.626 10.169 18.680 1.00 12.33 C ATOM 1623 CE LYS B 47 29.483 9.932 19.890 1.00 14.91 C ATOM 1624 NZ LYS B 47 30.903 10.332 19.630 1.00 17.77 N ATOM 1625 HZ1 LYS B 47 31.280 9.772 18.839 1.00 0.00 H ATOM 1626 HZ2 LYS B 47 30.938 11.343 19.389 1.00 0.00 H ATOM 1627 HZ3 LYS B 47 31.473 10.158 20.482 1.00 0.00 H ATOM 1628 H LYS B 47 25.384 7.866 18.309 1.00 0.00 H ATOM 1629 N THR B 48 23.858 9.702 15.768 1.00 12.16 N ATOM 1630 CA THR B 48 23.092 10.134 14.578 1.00 11.83 C ATOM 1631 C THR B 48 21.637 10.446 14.930 1.00 14.48 C ATOM 1632 O THR B 48 21.129 11.494 14.537 1.00 14.08 O ATOM 1633 CB THR B 48 23.137 9.087 13.459 1.00 15.66 C ATOM 1634 OG1 THR B 48 22.788 7.806 13.993 1.00 17.41 O ATOM 1635 CG2 THR B 48 24.507 9.028 12.760 1.00 20.00 C ATOM 1636 HG1 THR B 48 22.817 7.130 13.271 1.00 0.00 H ATOM 1637 H THR B 48 24.315 8.768 15.763 1.00 0.00 H ATOM 1638 N VAL B 49 20.983 9.565 15.715 1.00 11.61 N ATOM 1639 CA VAL B 49 19.575 9.760 16.099 1.00 11.39 C ATOM 1640 C VAL B 49 19.471 10.986 17.027 1.00 13.90 C ATOM 1641 O VAL B 49 18.596 11.822 16.838 1.00 13.82 O ATOM 1642 CB VAL B 49 18.953 8.478 16.724 1.00 15.47 C ATOM 1643 CG1 VAL B 49 17.495 8.712 17.149 1.00 16.01 C ATOM 1644 CG2 VAL B 49 19.032 7.320 15.736 1.00 15.12 C ATOM 1645 H VAL B 49 21.488 8.724 16.059 1.00 0.00 H ATOM 1646 N LEU B 50 20.425 11.130 17.958 1.00 13.04 N ATOM 1647 CA LEU B 50 20.422 12.267 18.872 1.00 11.74 C ATOM 1648 C LEU B 50 20.545 13.583 18.120 1.00 15.25 C ATOM 1649 O LEU B 50 19.774 14.504 18.390 1.00 14.69 O ATOM 1650 CB LEU B 50 21.545 12.128 19.916 1.00 11.96 C ATOM 1651 CG LEU B 50 21.446 10.940 20.878 1.00 16.59 C ATOM 1652 CD1 LEU B 50 22.563 11.001 21.887 1.00 15.03 C ATOM 1653 CD2 LEU B 50 20.107 10.914 21.635 1.00 18.55 C ATOM 1654 H LEU B 50 21.180 10.419 18.030 1.00 0.00 H ATOM 1655 N MET B 51 21.500 13.678 17.165 1.00 12.29 N ATOM 1656 CA MET B 51 21.693 14.880 16.341 1.00 12.51 C ATOM 1657 C MET B 51 20.459 15.148 15.495 1.00 16.94 C ATOM 1658 O MET B 51 20.120 16.299 15.294 1.00 17.66 O ATOM 1659 CB MET B 51 22.869 14.707 15.379 1.00 14.70 C ATOM 1660 CG MET B 51 24.189 14.702 16.056 1.00 18.77 C ATOM 1661 SD MET B 51 25.433 14.477 14.779 1.00 22.90 S ATOM 1662 CE MET B 51 25.608 16.113 14.237 1.00 20.08 C ATOM 1663 H MET B 51 22.126 12.863 17.007 1.00 0.00 H ATOM 1664 N ALA B 52 19.823 14.106 14.970 1.00 14.88 N ATOM 1665 CA ALA B 52 18.623 14.241 14.133 1.00 15.38 C ATOM 1666 C ALA B 52 17.414 14.804 14.888 1.00 18.43 C ATOM 1667 O ALA B 52 16.470 15.284 14.255 1.00 19.61 O ATOM 1668 CB ALA B 52 18.275 12.894 13.514 1.00 16.71 C ATOM 1669 H ALA B 52 20.191 13.152 15.160 1.00 0.00 H ATOM 1670 N CYS B 53 17.440 14.778 16.227 1.00 15.50 N ATOM 1671 CA CYS B 53 16.298 15.219 17.039 1.00 15.36 C ATOM 1672 C CYS B 53 16.535 16.446 17.880 1.00 18.09 C ATOM 1673 O CYS B 53 15.567 17.032 18.352 1.00 20.00 O ATOM 1674 CB CYS B 53 15.826 14.077 17.930 1.00 15.70 C ATOM 1675 SG CYS B 53 15.338 12.580 17.040 1.00 18.87 S ATOM 1676 H CYS B 53 18.296 14.435 16.707 1.00 0.00 H ATOM 1677 N SER B 54 17.792 16.742 18.212 1.00 13.60 N ATOM 1678 CA SER B 54 18.070 17.794 19.181 1.00 14.58 C ATOM 1679 C SER B 54 19.118 18.772 18.712 1.00 17.86 C ATOM 1680 O SER B 54 20.183 18.353 18.268 1.00 17.69 O ATOM 1681 CB SER B 54 18.511 17.131 20.486 1.00 17.31 C ATOM 1682 OG SER B 54 19.417 17.876 21.280 1.00 18.72 O ATOM 1683 HG SER B 54 19.000 18.738 21.534 1.00 0.00 H ATOM 1684 H SER B 54 18.579 16.219 17.777 1.00 0.00 H ATOM 1685 N GLY B 55 18.817 20.072 18.856 1.00 15.63 N ATOM 1686 CA GLY B 55 19.758 21.133 18.521 1.00 15.39 C ATOM 1687 C GLY B 55 21.010 21.041 19.365 1.00 18.05 C ATOM 1688 O GLY B 55 22.116 21.270 18.871 1.00 17.04 O ATOM 1689 H GLY B 55 17.878 20.332 19.220 1.00 0.00 H ATOM 1690 N LEU B 56 20.844 20.692 20.657 1.00 15.43 N ATOM 1691 CA LEU B 56 21.978 20.538 21.559 1.00 15.57 C ATOM 1692 C LEU B 56 22.917 19.431 21.103 1.00 17.08 C ATOM 1693 O LEU B 56 24.136 19.645 21.053 1.00 16.44 O ATOM 1694 CB LEU B 56 21.524 20.297 23.008 1.00 16.08 C ATOM 1695 CG LEU B 56 22.675 20.256 24.033 1.00 21.45 C ATOM 1696 CD1 LEU B 56 23.296 21.630 24.246 1.00 22.74 C ATOM 1697 CD2 LEU B 56 22.213 19.664 25.322 1.00 24.21 C ATOM 1698 H LEU B 56 19.883 20.529 21.019 1.00 0.00 H ATOM 1699 N PHE B 57 22.371 18.246 20.776 1.00 13.95 N ATOM 1700 CA PHE B 57 23.218 17.152 20.333 1.00 13.19 C ATOM 1701 C PHE B 57 23.846 17.411 18.962 1.00 17.36 C ATOM 1702 O PHE B 57 24.980 16.975 18.743 1.00 16.40 O ATOM 1703 CB PHE B 57 22.519 15.805 20.401 1.00 13.51 C ATOM 1704 CG PHE B 57 22.269 15.365 21.823 1.00 13.09 C ATOM 1705 CD1 PHE B 57 23.323 15.224 22.719 1.00 15.64 C ATOM 1706 CD2 PHE B 57 20.984 15.057 22.256 1.00 13.81 C ATOM 1707 CE1 PHE B 57 23.097 14.792 24.032 1.00 17.00 C ATOM 1708 CE2 PHE B 57 20.761 14.606 23.563 1.00 16.44 C ATOM 1709 CZ PHE B 57 21.816 14.488 24.444 1.00 15.27 C ATOM 1710 H PHE B 57 21.342 18.113 20.840 1.00 0.00 H ATOM 1711 N TYR B 58 23.166 18.182 18.080 1.00 15.35 N ATOM 1712 CA TYR B 58 23.761 18.554 16.793 1.00 16.02 C ATOM 1713 C TYR B 58 25.052 19.332 17.067 1.00 18.45 C ATOM 1714 O TYR B 58 26.081 19.053 16.443 1.00 16.94 O ATOM 1715 CB TYR B 58 22.821 19.409 15.943 1.00 18.15 C ATOM 1716 CG TYR B 58 23.263 19.500 14.496 1.00 21.06 C ATOM 1717 CD1 TYR B 58 22.869 18.546 13.568 1.00 22.77 C ATOM 1718 CD2 TYR B 58 24.055 20.557 14.050 1.00 23.54 C ATOM 1719 CE1 TYR B 58 23.273 18.620 12.236 1.00 24.51 C ATOM 1720 CE2 TYR B 58 24.455 20.649 12.715 1.00 25.31 C ATOM 1721 CZ TYR B 58 24.059 19.675 11.811 1.00 31.02 C ATOM 1722 OH TYR B 58 24.439 19.731 10.492 1.00 33.08 O ATOM 1723 HH TYR B 58 24.062 18.954 10.008 1.00 0.00 H ATOM 1724 H TYR B 58 22.210 18.514 18.319 1.00 0.00 H ATOM 1725 N SER B 59 24.994 20.288 18.036 1.00 15.46 N ATOM 1726 CA SER B 59 26.136 21.099 18.446 1.00 15.34 C ATOM 1727 C SER B 59 27.219 20.232 19.099 1.00 18.44 C ATOM 1728 O SER B 59 28.383 20.313 18.731 1.00 18.72 O ATOM 1729 CB SER B 59 25.677 22.204 19.398 1.00 18.44 C ATOM 1730 OG SER B 59 26.765 22.838 20.050 1.00 21.18 O ATOM 1731 HG SER B 59 26.421 23.543 20.654 1.00 0.00 H ATOM 1732 H SER B 59 24.083 20.449 18.511 1.00 0.00 H ATOM 1733 N ILE B 60 26.826 19.380 20.062 1.00 13.89 N ATOM 1734 CA ILE B 60 27.781 18.531 20.778 1.00 13.29 C ATOM 1735 C ILE B 60 28.553 17.568 19.853 1.00 15.19 C ATOM 1736 O ILE B 60 29.789 17.465 19.960 1.00 15.17 O ATOM 1737 CB ILE B 60 27.076 17.763 21.950 1.00 15.80 C ATOM 1738 CG1 ILE B 60 26.618 18.736 23.079 1.00 15.93 C ATOM 1739 CG2 ILE B 60 27.969 16.644 22.512 1.00 15.93 C ATOM 1740 CD1 ILE B 60 25.720 18.041 24.204 1.00 17.40 C ATOM 1741 H ILE B 60 25.816 19.322 20.305 1.00 0.00 H ATOM 1742 N PHE B 61 27.842 16.888 18.944 1.00 13.72 N ATOM 1743 CA PHE B 61 28.496 15.870 18.122 1.00 13.28 C ATOM 1744 C PHE B 61 29.215 16.453 16.898 1.00 16.73 C ATOM 1745 O PHE B 61 29.860 15.698 16.164 1.00 16.53 O ATOM 1746 CB PHE B 61 27.531 14.719 17.792 1.00 14.49 C ATOM 1747 CG PHE B 61 27.081 14.028 19.068 1.00 13.97 C ATOM 1748 CD1 PHE B 61 28.014 13.569 19.998 1.00 14.98 C ATOM 1749 CD2 PHE B 61 25.731 13.863 19.352 1.00 15.09 C ATOM 1750 CE1 PHE B 61 27.600 12.969 21.193 1.00 14.80 C ATOM 1751 CE2 PHE B 61 25.317 13.241 20.537 1.00 16.47 C ATOM 1752 CZ PHE B 61 26.251 12.812 21.453 1.00 14.25 C ATOM 1753 H PHE B 61 26.828 17.083 18.823 1.00 0.00 H ATOM 1754 N THR B 62 29.202 17.797 16.742 1.00 14.13 N ATOM 1755 CA THR B 62 30.008 18.478 15.716 1.00 15.44 C ATOM 1756 C THR B 62 31.119 19.298 16.423 1.00 18.86 C ATOM 1757 O THR B 62 31.948 19.912 15.763 1.00 19.51 O ATOM 1758 CB THR B 62 29.155 19.353 14.782 1.00 19.77 C ATOM 1759 OG1 THR B 62 28.453 20.359 15.523 1.00 15.93 O ATOM 1760 CG2 THR B 62 28.218 18.549 13.896 1.00 20.06 C ATOM 1761 HG1 THR B 62 27.858 19.925 16.185 1.00 0.00 H ATOM 1762 H THR B 62 28.601 18.369 17.369 1.00 0.00 H ATOM 1763 N ASP B 63 31.118 19.303 17.773 1.00 16.10 N ATOM 1764 CA ASP B 63 32.024 20.075 18.612 1.00 15.62 C ATOM 1765 C ASP B 63 33.461 19.560 18.578 1.00 17.33 C ATOM 1766 O ASP B 63 33.702 18.371 18.794 1.00 16.73 O ATOM 1767 CB ASP B 63 31.488 20.126 20.046 1.00 17.40 C ATOM 1768 CG ASP B 63 32.214 21.102 20.921 1.00 27.21 C ATOM 1769 OD1 ASP B 63 33.231 20.719 21.497 1.00 27.15 O ATOM 1770 OD2 ASP B 63 31.757 22.251 21.027 1.00 33.07 O ATOM 1771 H ASP B 63 30.413 18.707 18.253 1.00 0.00 H ATOM 1772 N GLN B 64 34.407 20.458 18.322 1.00 14.09 N ATOM 1773 CA GLN B 64 35.831 20.126 18.262 1.00 13.92 C ATOM 1774 C GLN B 64 36.338 19.447 19.527 1.00 18.49 C ATOM 1775 O GLN B 64 37.185 18.558 19.436 1.00 18.99 O ATOM 1776 CB GLN B 64 36.670 21.364 17.930 1.00 15.53 C ATOM 1777 CG GLN B 64 36.371 21.886 16.516 1.00 18.14 C ATOM 1778 CD GLN B 64 35.360 23.008 16.486 1.00 22.94 C ATOM 1779 OE1 GLN B 64 34.323 22.988 17.164 1.00 19.66 O ATOM 1780 NE2 GLN B 64 35.613 24.000 15.649 1.00 17.33 N ATOM 1781 HE22 GLN B 64 36.490 23.997 15.089 1.00 0.00 H ATOM 1782 HE21 GLN B 64 34.935 24.783 15.550 1.00 0.00 H ATOM 1783 H GLN B 64 34.121 21.444 18.156 1.00 0.00 H ATOM 1784 N LEU B 65 35.804 19.849 20.696 1.00 14.92 N ATOM 1785 CA LEU B 65 36.203 19.237 21.959 1.00 14.09 C ATOM 1786 C LEU B 65 35.503 17.907 22.215 1.00 17.89 C ATOM 1787 O LEU B 65 36.162 16.933 22.568 1.00 17.05 O ATOM 1788 CB LEU B 65 35.952 20.198 23.127 1.00 14.19 C ATOM 1789 CG LEU B 65 36.296 19.692 24.528 1.00 17.40 C ATOM 1790 CD1 LEU B 65 37.799 19.554 24.709 1.00 17.50 C ATOM 1791 CD2 LEU B 65 35.735 20.629 25.585 1.00 18.48 C ATOM 1792 H LEU B 65 35.094 20.609 20.699 1.00 0.00 H ATOM 1793 N LYS B 66 34.167 17.880 22.077 1.00 15.36 N ATOM 1794 CA LYS B 66 33.348 16.745 22.485 1.00 15.42 C ATOM 1795 C LYS B 66 32.990 15.678 21.447 1.00 18.42 C ATOM 1796 O LYS B 66 32.511 14.605 21.841 1.00 15.55 O ATOM 1797 CB LYS B 66 32.033 17.287 23.060 1.00 17.91 C ATOM 1798 CG LYS B 66 32.201 18.178 24.296 1.00 24.82 C ATOM 1799 CD LYS B 66 30.877 18.863 24.629 1.00 33.85 C ATOM 1800 CE LYS B 66 31.069 20.089 25.486 1.00 50.73 C ATOM 1801 NZ LYS B 66 29.806 20.862 25.627 1.00 62.25 N ATOM 1802 HZ1 LYS B 66 29.480 21.166 24.687 1.00 0.00 H ATOM 1803 HZ2 LYS B 66 29.081 20.262 26.070 1.00 0.00 H ATOM 1804 HZ3 LYS B 66 29.977 21.697 26.222 1.00 0.00 H ATOM 1805 H LYS B 66 33.695 18.707 21.660 1.00 0.00 H ATOM 1806 N ARG B 67 33.150 15.961 20.147 1.00 17.63 N ATOM 1807 CA ARG B 67 32.672 15.072 19.079 1.00 18.04 C ATOM 1808 C ARG B 67 33.074 13.582 19.196 1.00 21.45 C ATOM 1809 O ARG B 67 32.266 12.745 18.810 1.00 21.59 O ATOM 1810 CB ARG B 67 33.033 15.597 17.681 1.00 18.67 C ATOM 1811 CG ARG B 67 34.514 15.548 17.361 1.00 24.95 C ATOM 1812 CD ARG B 67 34.789 15.961 15.936 1.00 34.57 C ATOM 1813 NE ARG B 67 36.221 15.931 15.647 1.00 38.50 N ATOM 1814 CZ ARG B 67 36.834 14.967 14.967 1.00 51.49 C ATOM 1815 NH1 ARG B 67 36.144 13.939 14.490 1.00 34.24 N ATOM 1816 NH2 ARG B 67 38.143 15.024 14.757 1.00 40.52 N ATOM 1817 HE ARG B 67 36.802 16.719 15.998 1.00 0.00 H ATOM 1818 HH12 ARG B 67 36.630 13.188 13.959 1.00 0.00 H ATOM 1819 HH11 ARG B 67 35.117 13.884 14.647 1.00 0.00 H ATOM 1820 HH22 ARG B 67 38.618 14.267 14.224 1.00 0.00 H ATOM 1821 HH21 ARG B 67 38.694 15.825 15.125 1.00 0.00 H ATOM 1822 H ARG B 67 33.631 16.844 19.884 1.00 0.00 H ATOM 1823 N ASN B 68 34.275 13.262 19.728 1.00 18.42 N ATOM 1824 CA ASN B 68 34.755 11.869 19.845 1.00 18.97 C ATOM 1825 C ASN B 68 34.548 11.239 21.218 1.00 22.37 C ATOM 1826 O ASN B 68 34.949 10.085 21.438 1.00 22.41 O ATOM 1827 CB ASN B 68 36.235 11.766 19.446 1.00 20.30 C ATOM 1828 CG ASN B 68 36.483 11.952 17.973 1.00 40.84 C ATOM 1829 OD1 ASN B 68 37.345 12.739 17.562 1.00 43.24 O ATOM 1830 ND2 ASN B 68 35.749 11.227 17.144 1.00 31.23 N ATOM 1831 HD22 ASN B 68 35.032 10.574 17.520 1.00 0.00 H ATOM 1832 HD21 ASN B 68 35.889 11.310 16.117 1.00 0.00 H ATOM 1833 H ASN B 68 34.888 14.030 20.070 1.00 0.00 H ATOM 1834 N LEU B 69 33.961 11.986 22.153 1.00 17.50 N ATOM 1835 CA LEU B 69 33.707 11.455 23.489 1.00 16.72 C ATOM 1836 C LEU B 69 32.691 10.318 23.423 1.00 19.31 C ATOM 1837 O LEU B 69 31.722 10.382 22.656 1.00 19.32 O ATOM 1838 CB LEU B 69 33.217 12.557 24.446 1.00 16.86 C ATOM 1839 CG LEU B 69 34.163 13.719 24.740 1.00 21.78 C ATOM 1840 CD1 LEU B 69 33.464 14.778 25.580 1.00 21.42 C ATOM 1841 CD2 LEU B 69 35.430 13.248 25.464 1.00 26.18 C ATOM 1842 H LEU B 69 33.680 12.962 21.927 1.00 0.00 H ATOM 1843 N SER B 70 32.941 9.267 24.207 1.00 16.20 N ATOM 1844 CA SER B 70 32.036 8.124 24.262 1.00 15.71 C ATOM 1845 C SER B 70 30.983 8.338 25.355 1.00 18.39 C ATOM 1846 O SER B 70 29.994 7.608 25.405 1.00 16.82 O ATOM 1847 CB SER B 70 32.818 6.840 24.511 1.00 18.40 C ATOM 1848 OG SER B 70 33.666 7.015 25.630 1.00 18.76 O ATOM 1849 HG SER B 70 34.296 7.757 25.452 1.00 0.00 H ATOM 1850 H SER B 70 33.801 9.263 24.792 1.00 0.00 H ATOM 1851 N VAL B 71 31.188 9.352 26.213 1.00 14.96 N ATOM 1852 CA VAL B 71 30.281 9.680 27.308 1.00 14.92 C ATOM 1853 C VAL B 71 30.051 11.192 27.309 1.00 17.55 C ATOM 1854 O VAL B 71 31.013 11.962 27.259 1.00 16.63 O ATOM 1855 CB VAL B 71 30.816 9.159 28.679 1.00 20.50 C ATOM 1856 CG1 VAL B 71 29.862 9.493 29.821 1.00 20.70 C ATOM 1857 CG2 VAL B 71 31.084 7.653 28.641 1.00 21.42 C ATOM 1858 H VAL B 71 32.040 9.935 26.090 1.00 0.00 H ATOM 1859 N ILE B 72 28.774 11.598 27.330 1.00 13.50 N ATOM 1860 CA ILE B 72 28.377 13.007 27.391 1.00 13.63 C ATOM 1861 C ILE B 72 27.601 13.207 28.673 1.00 18.14 C ATOM 1862 O ILE B 72 26.584 12.534 28.896 1.00 16.84 O ATOM 1863 CB ILE B 72 27.525 13.454 26.157 1.00 16.19 C ATOM 1864 CG1 ILE B 72 28.325 13.363 24.823 1.00 16.68 C ATOM 1865 CG2 ILE B 72 26.914 14.861 26.359 1.00 17.04 C ATOM 1866 CD1 ILE B 72 29.641 14.187 24.722 1.00 18.74 C ATOM 1867 H ILE B 72 28.026 10.876 27.302 1.00 0.00 H ATOM 1868 N ASN B 73 28.037 14.169 29.488 1.00 17.54 N ATOM 1869 CA ASN B 73 27.364 14.478 30.742 1.00 17.66 C ATOM 1870 C ASN B 73 26.497 15.689 30.551 1.00 20.17 C ATOM 1871 O ASN B 73 26.998 16.739 30.156 1.00 20.59 O ATOM 1872 CB ASN B 73 28.385 14.729 31.834 1.00 19.87 C ATOM 1873 CG ASN B 73 29.226 13.523 32.082 1.00 32.61 C ATOM 1874 OD1 ASN B 73 28.806 12.596 32.768 1.00 27.13 O ATOM 1875 ND2 ASN B 73 30.425 13.515 31.516 1.00 26.13 N ATOM 1876 HD22 ASN B 73 30.735 14.326 30.943 1.00 0.00 H ATOM 1877 HD21 ASN B 73 31.055 12.698 31.645 1.00 0.00 H ATOM 1878 H ASN B 73 28.881 14.714 29.220 1.00 0.00 H ATOM 1879 N LEU B 74 25.184 15.546 30.793 1.00 16.48 N ATOM 1880 CA LEU B 74 24.292 16.688 30.676 1.00 15.42 C ATOM 1881 C LEU B 74 24.441 17.553 31.912 1.00 21.00 C ATOM 1882 O LEU B 74 24.912 17.076 32.949 1.00 21.53 O ATOM 1883 CB LEU B 74 22.817 16.262 30.485 1.00 14.69 C ATOM 1884 CG LEU B 74 22.493 15.419 29.242 1.00 18.42 C ATOM 1885 CD1 LEU B 74 20.987 15.405 28.977 1.00 19.19 C ATOM 1886 CD2 LEU B 74 23.209 15.936 27.994 1.00 20.46 C ATOM 1887 H LEU B 74 24.804 14.617 31.065 1.00 0.00 H ATOM 1888 N ASP B 75 24.073 18.837 31.793 1.00 19.24 N ATOM 1889 CA ASP B 75 24.133 19.780 32.904 1.00 20.04 C ATOM 1890 C ASP B 75 23.417 19.230 34.164 1.00 24.23 C ATOM 1891 O ASP B 75 22.435 18.489 34.033 1.00 22.36 O ATOM 1892 CB ASP B 75 23.639 21.171 32.472 1.00 22.50 C ATOM 1893 CG ASP B 75 24.614 21.934 31.576 1.00 35.13 C ATOM 1894 OD1 ASP B 75 25.700 21.382 31.260 1.00 35.48 O ATOM 1895 OD2 ASP B 75 24.301 23.086 31.204 1.00 42.97 O ATOM 1896 H ASP B 75 23.731 19.174 30.871 1.00 0.00 H ATOM 1897 N PRO B 76 23.968 19.498 35.375 1.00 21.88 N ATOM 1898 CA PRO B 76 23.421 18.882 36.604 1.00 22.21 C ATOM 1899 C PRO B 76 21.949 19.149 36.917 1.00 25.90 C ATOM 1900 O PRO B 76 21.334 18.309 37.572 1.00 26.14 O ATOM 1901 CB PRO B 76 24.339 19.408 37.717 1.00 24.69 C ATOM 1902 CG PRO B 76 25.050 20.575 37.126 1.00 28.87 C ATOM 1903 CD PRO B 76 25.185 20.283 35.672 1.00 23.97 C ATOM 1904 N GLU B 77 21.374 20.265 36.428 1.00 22.20 N ATOM 1905 CA GLU B 77 19.955 20.581 36.646 1.00 22.92 C ATOM 1906 C GLU B 77 18.985 19.672 35.867 1.00 27.11 C ATOM 1907 O GLU B 77 17.792 19.674 36.175 1.00 28.64 O ATOM 1908 CB GLU B 77 19.652 22.077 36.352 1.00 24.68 C ATOM 1909 CG GLU B 77 19.796 22.500 34.894 1.00 31.07 C ATOM 1910 CD GLU B 77 21.141 23.066 34.473 1.00 56.32 C ATOM 1911 OE1 GLU B 77 22.176 22.693 35.074 1.00 36.36 O ATOM 1912 OE2 GLU B 77 21.159 23.865 33.508 1.00 59.82 O ATOM 1913 H GLU B 77 21.956 20.927 35.876 1.00 0.00 H ATOM 1914 N ILE B 78 19.486 18.913 34.867 1.00 21.57 N ATOM 1915 CA ILE B 78 18.656 18.088 33.984 1.00 20.57 C ATOM 1916 C ILE B 78 18.131 16.837 34.680 1.00 24.28 C ATOM 1917 O ILE B 78 18.878 16.098 35.327 1.00 24.51 O ATOM 1918 CB ILE B 78 19.362 17.790 32.631 1.00 22.55 C ATOM 1919 CG1 ILE B 78 19.804 19.117 31.953 1.00 22.87 C ATOM 1920 CG2 ILE B 78 18.486 16.940 31.672 1.00 23.50 C ATOM 1921 CD1 ILE B 78 18.694 20.252 31.841 1.00 31.57 C ATOM 1922 H ILE B 78 20.515 18.914 34.716 1.00 0.00 H ATOM 1923 N ASN B 79 16.811 16.653 34.559 1.00 21.31 N ATOM 1924 CA ASN B 79 16.038 15.576 35.146 1.00 21.42 C ATOM 1925 C ASN B 79 16.201 14.284 34.337 1.00 23.85 C ATOM 1926 O ASN B 79 15.899 14.287 33.138 1.00 22.08 O ATOM 1927 CB ASN B 79 14.563 15.988 35.213 1.00 23.57 C ATOM 1928 CG ASN B 79 13.695 15.021 35.962 1.00 40.44 C ATOM 1929 OD1 ASN B 79 13.058 14.153 35.371 1.00 27.78 O ATOM 1930 ND2 ASN B 79 13.613 15.182 37.276 1.00 34.49 N ATOM 1931 HD22 ASN B 79 14.167 15.928 37.744 1.00 0.00 H ATOM 1932 HD21 ASN B 79 12.995 14.563 37.838 1.00 0.00 H ATOM 1933 H ASN B 79 16.290 17.349 33.989 1.00 0.00 H ATOM 1934 N PRO B 80 16.635 13.165 34.974 1.00 20.63 N ATOM 1935 CA PRO B 80 16.786 11.901 34.227 1.00 20.01 C ATOM 1936 C PRO B 80 15.472 11.345 33.656 1.00 21.26 C ATOM 1937 O PRO B 80 15.476 10.863 32.520 1.00 19.15 O ATOM 1938 CB PRO B 80 17.441 10.954 35.238 1.00 22.83 C ATOM 1939 CG PRO B 80 18.016 11.845 36.298 1.00 27.86 C ATOM 1940 CD PRO B 80 17.066 13.002 36.380 1.00 23.65 C ATOM 1941 N GLU B 81 14.355 11.444 34.408 1.00 19.34 N ATOM 1942 CA GLU B 81 13.042 10.984 33.923 1.00 19.07 C ATOM 1943 C GLU B 81 12.640 11.790 32.689 1.00 20.78 C ATOM 1944 O GLU B 81 12.277 11.190 31.676 1.00 18.63 O ATOM 1945 CB GLU B 81 11.960 11.024 35.013 1.00 21.70 C ATOM 1946 CG GLU B 81 10.590 10.577 34.513 1.00 30.77 C ATOM 1947 CD GLU B 81 9.426 10.711 35.475 1.00 49.23 C ATOM 1948 OE1 GLU B 81 9.548 11.444 36.484 1.00 36.20 O ATOM 1949 OE2 GLU B 81 8.375 10.085 35.206 1.00 49.31 O ATOM 1950 H GLU B 81 14.424 11.858 35.360 1.00 0.00 H ATOM 1951 N GLY B 82 12.792 13.117 32.756 1.00 17.62 N ATOM 1952 CA GLY B 82 12.534 13.995 31.617 1.00 17.46 C ATOM 1953 C GLY B 82 13.357 13.593 30.400 1.00 19.26 C ATOM 1954 O GLY B 82 12.836 13.512 29.285 1.00 18.37 O ATOM 1955 H GLY B 82 13.106 13.540 33.653 1.00 0.00 H ATOM 1956 N PHE B 83 14.661 13.286 30.617 1.00 15.24 N ATOM 1957 CA PHE B 83 15.516 12.852 29.528 1.00 13.73 C ATOM 1958 C PHE B 83 15.052 11.522 28.938 1.00 16.88 C ATOM 1959 O PHE B 83 14.990 11.403 27.716 1.00 16.28 O ATOM 1960 CB PHE B 83 17.002 12.783 29.945 1.00 14.56 C ATOM 1961 CG PHE B 83 17.863 12.431 28.756 1.00 14.31 C ATOM 1962 CD1 PHE B 83 18.166 13.387 27.789 1.00 16.36 C ATOM 1963 CD2 PHE B 83 18.283 11.122 28.541 1.00 15.06 C ATOM 1964 CE1 PHE B 83 18.920 13.050 26.659 1.00 16.93 C ATOM 1965 CE2 PHE B 83 19.025 10.781 27.398 1.00 16.83 C ATOM 1966 CZ PHE B 83 19.310 11.742 26.452 1.00 14.99 C ATOM 1967 H PHE B 83 15.053 13.363 31.577 1.00 0.00 H ATOM 1968 N ASN B 84 14.707 10.543 29.798 1.00 15.12 N ATOM 1969 CA ASN B 84 14.253 9.208 29.369 1.00 14.63 C ATOM 1970 C ASN B 84 12.987 9.324 28.501 1.00 17.67 C ATOM 1971 O ASN B 84 12.892 8.676 27.463 1.00 17.59 O ATOM 1972 CB ASN B 84 13.977 8.313 30.588 1.00 18.16 C ATOM 1973 CG ASN B 84 14.044 6.812 30.339 1.00 34.14 C ATOM 1974 OD1 ASN B 84 14.224 6.024 31.270 1.00 28.88 O ATOM 1975 ND2 ASN B 84 13.927 6.367 29.097 1.00 24.12 N ATOM 1976 HD22 ASN B 84 13.775 7.037 28.317 1.00 0.00 H ATOM 1977 HD21 ASN B 84 13.987 5.347 28.902 1.00 0.00 H ATOM 1978 H ASN B 84 14.764 10.740 30.818 1.00 0.00 H ATOM 1979 N ILE B 85 12.043 10.182 28.921 1.00 15.44 N ATOM 1980 CA ILE B 85 10.812 10.434 28.157 1.00 14.72 C ATOM 1981 C ILE B 85 11.168 11.000 26.771 1.00 17.54 C ATOM 1982 O ILE B 85 10.621 10.546 25.760 1.00 16.55 O ATOM 1983 CB ILE B 85 9.870 11.373 28.958 1.00 17.91 C ATOM 1984 CG1 ILE B 85 9.227 10.580 30.122 1.00 19.10 C ATOM 1985 CG2 ILE B 85 8.795 12.012 28.029 1.00 17.17 C ATOM 1986 CD1 ILE B 85 8.732 11.389 31.294 1.00 24.60 C ATOM 1987 H ILE B 85 12.188 10.686 29.819 1.00 0.00 H ATOM 1988 N LEU B 86 12.127 11.951 26.721 1.00 15.35 N ATOM 1989 CA LEU B 86 12.508 12.554 25.446 1.00 15.68 C ATOM 1990 C LEU B 86 13.301 11.612 24.548 1.00 18.27 C ATOM 1991 O LEU B 86 13.101 11.616 23.337 1.00 15.97 O ATOM 1992 CB LEU B 86 13.220 13.880 25.656 1.00 15.85 C ATOM 1993 CG LEU B 86 12.319 14.978 26.210 1.00 20.30 C ATOM 1994 CD1 LEU B 86 13.098 16.179 26.501 1.00 20.70 C ATOM 1995 CD2 LEU B 86 11.209 15.332 25.238 1.00 19.52 C ATOM 1996 H LEU B 86 12.597 12.256 27.597 1.00 0.00 H ATOM 1997 N LEU B 87 14.179 10.787 25.132 1.00 15.70 N ATOM 1998 CA LEU B 87 14.934 9.786 24.366 1.00 14.69 C ATOM 1999 C LEU B 87 13.972 8.760 23.744 1.00 17.79 C ATOM 2000 O LEU B 87 14.115 8.414 22.569 1.00 15.07 O ATOM 2001 CB LEU B 87 15.955 9.100 25.272 1.00 14.46 C ATOM 2002 CG LEU B 87 16.839 8.035 24.620 1.00 17.86 C ATOM 2003 CD1 LEU B 87 17.767 8.652 23.552 1.00 17.09 C ATOM 2004 CD2 LEU B 87 17.630 7.292 25.678 1.00 21.45 C ATOM 2005 H LEU B 87 14.331 10.857 26.158 1.00 0.00 H ATOM 2006 N ASP B 88 12.957 8.313 24.516 1.00 16.53 N ATOM 2007 CA ASP B 88 11.920 7.399 24.016 1.00 16.51 C ATOM 2008 C ASP B 88 11.182 8.062 22.860 1.00 18.69 C ATOM 2009 O ASP B 88 10.985 7.437 21.828 1.00 18.84 O ATOM 2010 CB ASP B 88 10.942 7.008 25.130 1.00 18.73 C ATOM 2011 CG ASP B 88 11.486 5.996 26.122 1.00 32.80 C ATOM 2012 OD1 ASP B 88 12.588 5.448 25.875 1.00 34.24 O ATOM 2013 OD2 ASP B 88 10.801 5.733 27.137 1.00 36.40 O ATOM 2014 H ASP B 88 12.907 8.629 25.506 1.00 0.00 H ATOM 2015 N PHE B 89 10.838 9.356 23.011 1.00 15.77 N ATOM 2016 CA PHE B 89 10.186 10.126 21.950 1.00 14.73 C ATOM 2017 C PHE B 89 11.049 10.148 20.679 1.00 15.02 C ATOM 2018 O PHE B 89 10.533 9.905 19.586 1.00 15.53 O ATOM 2019 CB PHE B 89 9.885 11.573 22.419 1.00 15.35 C ATOM 2020 CG PHE B 89 9.589 12.481 21.251 1.00 16.25 C ATOM 2021 CD1 PHE B 89 8.383 12.384 20.563 1.00 19.73 C ATOM 2022 CD2 PHE B 89 10.546 13.379 20.786 1.00 17.04 C ATOM 2023 CE1 PHE B 89 8.131 13.185 19.448 1.00 20.72 C ATOM 2024 CE2 PHE B 89 10.297 14.166 19.655 1.00 19.25 C ATOM 2025 CZ PHE B 89 9.083 14.085 19.015 1.00 18.73 C ATOM 2026 H PHE B 89 11.043 9.826 23.916 1.00 0.00 H ATOM 2027 N MET B 90 12.365 10.434 20.819 1.00 11.75 N ATOM 2028 CA MET B 90 13.256 10.483 19.673 1.00 9.53 C ATOM 2029 C MET B 90 13.181 9.226 18.834 1.00 13.65 C ATOM 2030 O MET B 90 13.129 9.303 17.607 1.00 14.64 O ATOM 2031 CB MET B 90 14.713 10.678 20.148 1.00 10.26 C ATOM 2032 CG MET B 90 14.950 12.017 20.797 1.00 12.53 C ATOM 2033 SD MET B 90 16.710 12.188 21.143 1.00 16.86 S ATOM 2034 CE MET B 90 16.690 13.689 22.126 1.00 15.33 C ATOM 2035 H MET B 90 12.746 10.623 21.768 1.00 0.00 H ATOM 2036 N TYR B 91 13.168 8.074 19.497 1.00 12.20 N ATOM 2037 CA TYR B 91 13.187 6.789 18.819 1.00 12.97 C ATOM 2038 C TYR B 91 11.815 6.194 18.496 1.00 17.14 C ATOM 2039 O TYR B 91 11.763 5.112 17.888 1.00 17.21 O ATOM 2040 CB TYR B 91 13.954 5.799 19.680 1.00 14.16 C ATOM 2041 CG TYR B 91 15.457 5.885 19.538 1.00 13.92 C ATOM 2042 CD1 TYR B 91 16.205 6.721 20.359 1.00 15.40 C ATOM 2043 CD2 TYR B 91 16.139 5.061 18.646 1.00 14.26 C ATOM 2044 CE1 TYR B 91 17.596 6.761 20.277 1.00 14.70 C ATOM 2045 CE2 TYR B 91 17.532 5.083 18.563 1.00 14.64 C ATOM 2046 CZ TYR B 91 18.255 5.933 19.382 1.00 16.60 C ATOM 2047 OH TYR B 91 19.631 5.951 19.327 1.00 15.73 O ATOM 2048 HH TYR B 91 19.981 5.053 19.552 1.00 0.00 H ATOM 2049 H TYR B 91 13.143 8.093 20.537 1.00 0.00 H ATOM 2050 N THR B 92 10.707 6.843 18.914 1.00 14.38 N ATOM 2051 CA THR B 92 9.361 6.271 18.679 1.00 14.59 C ATOM 2052 C THR B 92 8.296 7.204 18.106 1.00 19.48 C ATOM 2053 O THR B 92 7.247 6.706 17.675 1.00 19.59 O ATOM 2054 CB THR B 92 8.778 5.690 19.995 1.00 20.76 C ATOM 2055 OG1 THR B 92 8.523 6.756 20.916 1.00 21.01 O ATOM 2056 CG2 THR B 92 9.657 4.619 20.628 1.00 18.82 C ATOM 2057 HG1 THR B 92 9.369 7.232 21.111 1.00 0.00 H ATOM 2058 H THR B 92 10.800 7.754 19.406 1.00 0.00 H ATOM 2059 N SER B 93 8.515 8.537 18.171 1.00 15.81 N ATOM 2060 CA SER B 93 7.554 9.594 17.788 1.00 16.98 C ATOM 2061 C SER B 93 6.435 9.761 18.835 1.00 20.97 C ATOM 2062 O SER B 93 5.530 10.564 18.621 1.00 20.64 O ATOM 2063 CB SER B 93 6.941 9.345 16.406 1.00 19.01 C ATOM 2064 OG SER B 93 7.919 9.061 15.421 1.00 23.72 O ATOM 2065 HG SER B 93 7.474 8.908 14.550 1.00 0.00 H ATOM 2066 H SER B 93 9.444 8.847 18.522 1.00 0.00 H ATOM 2067 N ARG B 94 6.489 9.001 19.953 1.00 17.43 N ATOM 2068 CA ARG B 94 5.470 9.029 21.011 1.00 17.42 C ATOM 2069 C ARG B 94 6.026 9.687 22.267 1.00 20.67 C ATOM 2070 O ARG B 94 7.054 9.258 22.797 1.00 20.15 O ATOM 2071 CB ARG B 94 4.972 7.594 21.299 1.00 19.77 C ATOM 2072 CG ARG B 94 3.883 7.462 22.380 1.00 37.79 C ATOM 2073 CD ARG B 94 3.292 6.054 22.478 1.00 51.90 C ATOM 2074 NE ARG B 94 4.299 5.023 22.767 1.00 64.01 N ATOM 2075 CZ ARG B 94 4.844 4.220 21.855 1.00 79.92 C ATOM 2076 NH1 ARG B 94 4.492 4.315 20.578 1.00 66.75 N ATOM 2077 NH2 ARG B 94 5.755 3.323 22.212 1.00 67.29 N ATOM 2078 HE ARG B 94 4.608 4.913 23.754 1.00 0.00 H ATOM 2079 HH12 ARG B 94 4.922 3.684 19.872 1.00 0.00 H ATOM 2080 HH11 ARG B 94 3.786 5.020 20.284 1.00 0.00 H ATOM 2081 HH22 ARG B 94 6.178 2.698 21.496 1.00 0.00 H ATOM 2082 HH21 ARG B 94 6.046 3.245 23.207 1.00 0.00 H ATOM 2083 H ARG B 94 7.299 8.360 20.070 1.00 0.00 H ATOM 2084 N LEU B 95 5.349 10.745 22.722 1.00 17.64 N ATOM 2085 CA LEU B 95 5.712 11.521 23.893 1.00 17.32 C ATOM 2086 C LEU B 95 4.758 11.146 25.028 1.00 22.44 C ATOM 2087 O LEU B 95 3.555 11.409 24.941 1.00 20.97 O ATOM 2088 CB LEU B 95 5.636 13.019 23.530 1.00 17.32 C ATOM 2089 CG LEU B 95 6.130 14.036 24.551 1.00 20.73 C ATOM 2090 CD1 LEU B 95 7.666 14.007 24.684 1.00 19.60 C ATOM 2091 CD2 LEU B 95 5.682 15.440 24.168 1.00 22.55 C ATOM 2092 H LEU B 95 4.498 11.034 22.198 1.00 0.00 H ATOM 2093 N ASN B 96 5.288 10.479 26.069 1.00 20.17 N ATOM 2094 CA ASN B 96 4.492 10.003 27.202 1.00 21.14 C ATOM 2095 C ASN B 96 4.605 10.960 28.366 1.00 25.89 C ATOM 2096 O ASN B 96 5.684 11.112 28.946 1.00 23.96 O ATOM 2097 CB ASN B 96 4.881 8.568 27.590 1.00 23.96 C ATOM 2098 CG ASN B 96 4.802 7.592 26.440 1.00 41.79 C ATOM 2099 OD1 ASN B 96 5.814 7.111 25.931 1.00 39.20 O ATOM 2100 ND2 ASN B 96 3.602 7.303 25.977 1.00 35.56 N ATOM 2101 HD22 ASN B 96 2.759 7.720 26.421 1.00 0.00 H ATOM 2102 HD21 ASN B 96 3.498 6.658 25.168 1.00 0.00 H ATOM 2103 H ASN B 96 6.311 10.293 26.069 1.00 0.00 H ATOM 2104 N LEU B 97 3.487 11.635 28.688 1.00 23.02 N ATOM 2105 CA LEU B 97 3.452 12.667 29.722 1.00 23.84 C ATOM 2106 C LEU B 97 2.467 12.402 30.840 1.00 27.82 C ATOM 2107 O LEU B 97 1.397 11.835 30.606 1.00 26.61 O ATOM 2108 CB LEU B 97 3.087 14.031 29.091 1.00 24.31 C ATOM 2109 CG LEU B 97 3.890 14.519 27.889 1.00 27.65 C ATOM 2110 CD1 LEU B 97 3.221 15.714 27.244 1.00 28.38 C ATOM 2111 CD2 LEU B 97 5.314 14.877 28.285 1.00 27.74 C ATOM 2112 H LEU B 97 2.608 11.412 28.178 1.00 0.00 H ATOM 2113 N ARG B 98 2.805 12.893 32.051 1.00 24.94 N ATOM 2114 CA ARG B 98 1.940 12.857 33.238 1.00 26.40 C ATOM 2115 C ARG B 98 1.945 14.265 33.828 1.00 29.44 C ATOM 2116 O ARG B 98 2.924 14.988 33.642 1.00 26.55 O ATOM 2117 CB ARG B 98 2.474 11.885 34.305 1.00 30.12 C ATOM 2118 CG ARG B 98 2.475 10.416 33.930 1.00 45.24 C ATOM 2119 CD ARG B 98 3.062 9.601 35.071 1.00 58.91 C ATOM 2120 NE ARG B 98 3.830 8.447 34.598 1.00 67.38 N ATOM 2121 CZ ARG B 98 5.021 8.087 35.072 1.00 82.10 C ATOM 2122 NH1 ARG B 98 5.639 7.019 34.587 1.00 69.93 N ATOM 2123 NH2 ARG B 98 5.601 8.793 36.036 1.00 67.81 N ATOM 2124 HE ARG B 98 3.416 7.869 33.839 1.00 0.00 H ATOM 2125 HH12 ARG B 98 6.569 6.742 34.961 1.00 0.00 H ATOM 2126 HH11 ARG B 98 5.194 6.458 33.833 1.00 0.00 H ATOM 2127 HH22 ARG B 98 6.531 8.507 36.402 1.00 0.00 H ATOM 2128 HH21 ARG B 98 5.125 9.632 36.425 1.00 0.00 H ATOM 2129 H ARG B 98 3.744 13.328 32.151 1.00 0.00 H ATOM 2130 N GLU B 99 0.887 14.643 34.578 1.00 27.99 N ATOM 2131 CA GLU B 99 0.806 15.948 35.251 1.00 28.59 C ATOM 2132 C GLU B 99 2.055 16.196 36.130 1.00 30.90 C ATOM 2133 O GLU B 99 2.564 17.316 36.175 1.00 30.81 O ATOM 2134 CB GLU B 99 -0.477 16.024 36.114 1.00 31.52 C ATOM 2135 CG GLU B 99 -0.675 17.345 36.842 1.00 45.07 C ATOM 2136 CD GLU B 99 -1.519 17.257 38.098 1.00 68.41 C ATOM 2137 OE1 GLU B 99 -0.962 16.910 39.166 1.00 63.75 O ATOM 2138 OE2 GLU B 99 -2.735 17.544 38.019 1.00 60.72 O ATOM 2139 H GLU B 99 0.093 13.980 34.684 1.00 0.00 H ATOM 2140 N GLY B 100 2.532 15.145 36.798 1.00 27.19 N ATOM 2141 CA GLY B 100 3.679 15.202 37.696 1.00 26.68 C ATOM 2142 C GLY B 100 5.057 15.271 37.064 1.00 29.14 C ATOM 2143 O GLY B 100 6.037 15.491 37.782 1.00 29.54 O ATOM 2144 H GLY B 100 2.057 14.229 36.671 1.00 0.00 H ATOM 2145 N ASN B 101 5.167 15.066 35.732 1.00 24.17 N ATOM 2146 CA ASN B 101 6.478 15.103 35.069 1.00 22.80 C ATOM 2147 C ASN B 101 6.554 16.048 33.854 1.00 24.77 C ATOM 2148 O ASN B 101 7.646 16.275 33.330 1.00 23.51 O ATOM 2149 CB ASN B 101 6.948 13.681 34.688 1.00 21.07 C ATOM 2150 CG ASN B 101 6.151 12.967 33.626 1.00 30.26 C ATOM 2151 OD1 ASN B 101 5.525 13.564 32.731 1.00 25.15 O ATOM 2152 ND2 ASN B 101 6.211 11.646 33.667 1.00 23.44 N ATOM 2153 HD22 ASN B 101 6.741 11.173 34.426 1.00 0.00 H ATOM 2154 HD21 ASN B 101 5.728 11.081 32.940 1.00 0.00 H ATOM 2155 H ASN B 101 4.312 14.880 35.169 1.00 0.00 H ATOM 2156 N ILE B 102 5.408 16.568 33.397 1.00 22.74 N ATOM 2157 CA ILE B 102 5.324 17.453 32.233 1.00 22.27 C ATOM 2158 C ILE B 102 6.228 18.710 32.341 1.00 25.79 C ATOM 2159 O ILE B 102 6.821 19.105 31.334 1.00 24.17 O ATOM 2160 CB ILE B 102 3.856 17.812 31.894 1.00 26.14 C ATOM 2161 CG1 ILE B 102 3.772 18.544 30.535 1.00 27.14 C ATOM 2162 CG2 ILE B 102 3.161 18.569 33.039 1.00 27.21 C ATOM 2163 CD1 ILE B 102 2.423 18.516 29.882 1.00 31.51 C ATOM 2164 H ILE B 102 4.528 16.330 33.897 1.00 0.00 H ATOM 2165 N MET B 103 6.347 19.318 33.536 1.00 23.85 N ATOM 2166 CA MET B 103 7.219 20.477 33.714 1.00 24.80 C ATOM 2167 C MET B 103 8.692 20.081 33.490 1.00 26.32 C ATOM 2168 O MET B 103 9.435 20.837 32.856 1.00 24.44 O ATOM 2169 CB MET B 103 7.065 21.069 35.117 1.00 29.21 C ATOM 2170 CG MET B 103 7.734 22.395 35.257 1.00 35.38 C ATOM 2171 SD MET B 103 6.811 23.691 34.412 1.00 42.60 S ATOM 2172 CE MET B 103 5.386 23.844 35.541 1.00 40.29 C ATOM 2173 H MET B 103 5.808 18.956 34.348 1.00 0.00 H ATOM 2174 N ALA B 104 9.100 18.904 34.024 1.00 22.86 N ATOM 2175 CA ALA B 104 10.463 18.372 33.891 1.00 21.83 C ATOM 2176 C ALA B 104 10.723 17.998 32.433 1.00 23.21 C ATOM 2177 O ALA B 104 11.816 18.238 31.934 1.00 21.24 O ATOM 2178 CB ALA B 104 10.655 17.156 34.788 1.00 22.73 C ATOM 2179 H ALA B 104 8.407 18.344 34.560 1.00 0.00 H ATOM 2180 N VAL B 105 9.706 17.475 31.727 1.00 19.12 N ATOM 2181 CA VAL B 105 9.865 17.154 30.308 1.00 18.13 C ATOM 2182 C VAL B 105 10.086 18.452 29.518 1.00 21.54 C ATOM 2183 O VAL B 105 10.984 18.500 28.667 1.00 20.43 O ATOM 2184 CB VAL B 105 8.693 16.326 29.729 1.00 21.85 C ATOM 2185 CG1 VAL B 105 8.870 16.121 28.225 1.00 20.90 C ATOM 2186 CG2 VAL B 105 8.572 14.981 30.440 1.00 21.82 C ATOM 2187 H VAL B 105 8.795 17.296 32.195 1.00 0.00 H ATOM 2188 N MET B 106 9.281 19.500 29.814 1.00 18.48 N ATOM 2189 CA MET B 106 9.410 20.787 29.133 1.00 18.22 C ATOM 2190 C MET B 106 10.796 21.383 29.345 1.00 21.13 C ATOM 2191 O MET B 106 11.435 21.760 28.365 1.00 20.32 O ATOM 2192 CB MET B 106 8.344 21.776 29.587 1.00 21.29 C ATOM 2193 CG MET B 106 8.292 22.999 28.708 1.00 24.51 C ATOM 2194 SD MET B 106 6.949 24.096 29.146 1.00 28.93 S ATOM 2195 CE MET B 106 7.457 24.582 30.828 1.00 26.42 C ATOM 2196 H MET B 106 8.551 19.386 30.546 1.00 0.00 H ATOM 2197 N ALA B 107 11.260 21.448 30.614 1.00 17.88 N ATOM 2198 CA ALA B 107 12.590 21.964 30.949 1.00 18.44 C ATOM 2199 C ALA B 107 13.683 21.179 30.201 1.00 20.82 C ATOM 2200 O ALA B 107 14.628 21.786 29.687 1.00 21.39 O ATOM 2201 CB ALA B 107 12.822 21.891 32.454 1.00 19.60 C ATOM 2202 H ALA B 107 10.646 21.117 31.386 1.00 0.00 H ATOM 2203 N THR B 108 13.550 19.839 30.113 1.00 16.55 N ATOM 2204 CA THR B 108 14.529 19.009 29.414 1.00 15.59 C ATOM 2205 C THR B 108 14.562 19.312 27.907 1.00 16.99 C ATOM 2206 O THR B 108 15.643 19.447 27.339 1.00 16.33 O ATOM 2207 CB THR B 108 14.320 17.515 29.712 1.00 21.33 C ATOM 2208 OG1 THR B 108 14.150 17.335 31.116 1.00 21.17 O ATOM 2209 CG2 THR B 108 15.488 16.658 29.222 1.00 17.83 C ATOM 2210 HG1 THR B 108 13.360 17.848 31.420 1.00 0.00 H ATOM 2211 H THR B 108 12.727 19.383 30.556 1.00 0.00 H ATOM 2212 N ALA B 109 13.384 19.406 27.266 1.00 14.83 N ATOM 2213 CA ALA B 109 13.270 19.697 25.828 1.00 14.33 C ATOM 2214 C ALA B 109 13.807 21.095 25.511 1.00 18.38 C ATOM 2215 O ALA B 109 14.367 21.291 24.431 1.00 18.71 O ATOM 2216 CB ALA B 109 11.824 19.580 25.376 1.00 15.36 C ATOM 2217 H ALA B 109 12.511 19.266 27.813 1.00 0.00 H ATOM 2218 N MET B 110 13.685 22.049 26.458 1.00 15.86 N ATOM 2219 CA MET B 110 14.222 23.395 26.239 1.00 16.20 C ATOM 2220 C MET B 110 15.754 23.287 26.163 1.00 18.67 C ATOM 2221 O MET B 110 16.369 23.808 25.238 1.00 18.75 O ATOM 2222 CB MET B 110 13.809 24.353 27.372 1.00 19.53 C ATOM 2223 CG MET B 110 12.336 24.724 27.340 1.00 24.87 C ATOM 2224 SD MET B 110 11.790 25.652 28.795 1.00 32.04 S ATOM 2225 CE MET B 110 12.647 27.211 28.519 1.00 30.28 C ATOM 2226 H MET B 110 13.205 21.826 27.353 1.00 0.00 H ATOM 2227 N TYR B 111 16.349 22.546 27.111 1.00 15.86 N ATOM 2228 CA TYR B 111 17.786 22.312 27.177 1.00 15.32 C ATOM 2229 C TYR B 111 18.272 21.563 25.926 1.00 19.19 C ATOM 2230 O TYR B 111 19.326 21.900 25.367 1.00 18.19 O ATOM 2231 CB TYR B 111 18.111 21.536 28.456 1.00 15.64 C ATOM 2232 CG TYR B 111 19.547 21.075 28.570 1.00 16.89 C ATOM 2233 CD1 TYR B 111 20.555 21.959 28.946 1.00 19.39 C ATOM 2234 CD2 TYR B 111 19.881 19.730 28.414 1.00 16.46 C ATOM 2235 CE1 TYR B 111 21.873 21.529 29.102 1.00 19.07 C ATOM 2236 CE2 TYR B 111 21.192 19.284 28.595 1.00 17.82 C ATOM 2237 CZ TYR B 111 22.185 20.189 28.931 1.00 24.67 C ATOM 2238 OH TYR B 111 23.473 19.754 29.127 1.00 22.57 O ATOM 2239 HH TYR B 111 24.049 20.525 29.359 1.00 0.00 H ATOM 2240 H TYR B 111 15.749 22.113 27.842 1.00 0.00 H ATOM 2241 N LEU B 112 17.495 20.558 25.482 1.00 16.07 N ATOM 2242 CA LEU B 112 17.865 19.764 24.317 1.00 14.69 C ATOM 2243 C LEU B 112 17.583 20.486 23.007 1.00 18.61 C ATOM 2244 O LEU B 112 18.009 20.019 21.954 1.00 18.39 O ATOM 2245 CB LEU B 112 17.227 18.363 24.356 1.00 13.77 C ATOM 2246 CG LEU B 112 17.661 17.445 25.506 1.00 16.67 C ATOM 2247 CD1 LEU B 112 16.962 16.091 25.413 1.00 17.46 C ATOM 2248 CD2 LEU B 112 19.184 17.263 25.544 1.00 15.89 C ATOM 2249 H LEU B 112 16.609 20.343 25.982 1.00 0.00 H ATOM 2250 N GLN B 113 16.928 21.667 23.074 1.00 15.98 N ATOM 2251 CA GLN B 113 16.575 22.497 21.921 1.00 16.94 C ATOM 2252 C GLN B 113 15.669 21.703 20.970 1.00 22.08 C ATOM 2253 O GLN B 113 16.051 21.381 19.842 1.00 20.67 O ATOM 2254 CB GLN B 113 17.835 23.054 21.227 1.00 17.94 C ATOM 2255 CG GLN B 113 18.731 23.858 22.163 1.00 17.59 C ATOM 2256 CD GLN B 113 20.075 24.136 21.545 1.00 26.60 C ATOM 2257 OE1 GLN B 113 20.248 24.087 20.322 1.00 19.31 O ATOM 2258 NE2 GLN B 113 21.054 24.431 22.388 1.00 27.02 N ATOM 2259 HE22 GLN B 113 20.868 24.462 23.411 1.00 0.00 H ATOM 2260 HE21 GLN B 113 22.008 24.631 22.027 1.00 0.00 H ATOM 2261 H GLN B 113 16.654 22.012 24.016 1.00 0.00 H ATOM 2262 N MET B 114 14.499 21.303 21.499 1.00 19.35 N ATOM 2263 CA MET B 114 13.472 20.532 20.789 1.00 18.81 C ATOM 2264 C MET B 114 12.190 21.362 20.907 1.00 24.01 C ATOM 2265 O MET B 114 11.285 21.056 21.697 1.00 22.70 O ATOM 2266 CB MET B 114 13.326 19.117 21.398 1.00 19.62 C ATOM 2267 CG MET B 114 14.609 18.290 21.357 1.00 21.16 C ATOM 2268 SD MET B 114 14.499 16.775 22.357 1.00 23.64 S ATOM 2269 CE MET B 114 13.378 15.790 21.351 1.00 20.97 C ATOM 2270 H MET B 114 14.307 21.560 22.488 1.00 0.00 H ATOM 2271 N GLU B 115 12.162 22.469 20.147 1.00 22.90 N ATOM 2272 CA GLU B 115 11.118 23.487 20.171 1.00 24.15 C ATOM 2273 C GLU B 115 9.676 22.957 20.054 1.00 26.94 C ATOM 2274 O GLU B 115 8.827 23.388 20.836 1.00 26.96 O ATOM 2275 CB GLU B 115 11.370 24.572 19.116 1.00 26.54 C ATOM 2276 CG GLU B 115 10.372 25.713 19.224 1.00 38.06 C ATOM 2277 CD GLU B 115 10.411 26.718 18.097 1.00 58.09 C ATOM 2278 OE1 GLU B 115 11.366 27.525 18.072 1.00 48.27 O ATOM 2279 OE2 GLU B 115 9.465 26.738 17.277 1.00 54.65 O ATOM 2280 H GLU B 115 12.952 22.612 19.485 1.00 0.00 H ATOM 2281 N HIS B 116 9.402 22.047 19.101 1.00 23.70 N ATOM 2282 CA HIS B 116 8.040 21.521 18.928 1.00 24.31 C ATOM 2283 C HIS B 116 7.578 20.739 20.149 1.00 24.55 C ATOM 2284 O HIS B 116 6.413 20.858 20.538 1.00 23.63 O ATOM 2285 CB HIS B 116 7.859 20.725 17.623 1.00 26.02 C ATOM 2286 CG HIS B 116 6.420 20.419 17.291 1.00 30.91 C ATOM 2287 ND1 HIS B 116 6.076 19.317 16.523 1.00 32.94 N ATOM 2288 CD2 HIS B 116 5.285 21.073 17.639 1.00 34.11 C ATOM 2289 CE1 HIS B 116 4.756 19.335 16.433 1.00 33.22 C ATOM 2290 NE2 HIS B 116 4.235 20.369 17.091 1.00 34.27 N ATOM 2291 H HIS B 116 10.164 21.711 18.478 1.00 0.00 H ATOM 2292 N VAL B 117 8.498 19.997 20.791 1.00 19.42 N ATOM 2293 CA VAL B 117 8.194 19.282 22.028 1.00 19.13 C ATOM 2294 C VAL B 117 7.929 20.310 23.135 1.00 23.12 C ATOM 2295 O VAL B 117 6.930 20.185 23.842 1.00 21.40 O ATOM 2296 CB VAL B 117 9.275 18.254 22.420 1.00 21.53 C ATOM 2297 CG1 VAL B 117 9.002 17.674 23.806 1.00 21.57 C ATOM 2298 CG2 VAL B 117 9.344 17.139 21.384 1.00 20.97 C ATOM 2299 H VAL B 117 9.457 19.930 20.394 1.00 0.00 H ATOM 2300 N VAL B 118 8.795 21.348 23.255 1.00 20.39 N ATOM 2301 CA VAL B 118 8.619 22.413 24.262 1.00 20.72 C ATOM 2302 C VAL B 118 7.215 23.009 24.148 1.00 24.90 C ATOM 2303 O VAL B 118 6.502 23.098 25.155 1.00 24.78 O ATOM 2304 CB VAL B 118 9.690 23.527 24.133 1.00 24.00 C ATOM 2305 CG1 VAL B 118 9.405 24.699 25.075 1.00 24.35 C ATOM 2306 CG2 VAL B 118 11.085 22.978 24.367 1.00 22.85 C ATOM 2307 H VAL B 118 9.613 21.395 22.614 1.00 0.00 H ATOM 2308 N ASP B 119 6.832 23.414 22.921 1.00 22.44 N ATOM 2309 CA ASP B 119 5.544 24.037 22.623 1.00 24.01 C ATOM 2310 C ASP B 119 4.352 23.130 22.948 1.00 26.01 C ATOM 2311 O ASP B 119 3.374 23.593 23.533 1.00 25.56 O ATOM 2312 CB ASP B 119 5.504 24.542 21.172 1.00 27.14 C ATOM 2313 CG ASP B 119 4.520 25.680 20.953 1.00 43.63 C ATOM 2314 OD1 ASP B 119 4.591 26.685 21.705 1.00 46.51 O ATOM 2315 OD2 ASP B 119 3.693 25.578 20.024 1.00 50.98 O ATOM 2316 H ASP B 119 7.497 23.274 22.134 1.00 0.00 H ATOM 2317 N THR B 120 4.459 21.831 22.628 1.00 21.22 N ATOM 2318 CA THR B 120 3.426 20.842 22.947 1.00 20.83 C ATOM 2319 C THR B 120 3.248 20.752 24.480 1.00 24.64 C ATOM 2320 O THR B 120 2.115 20.828 24.960 1.00 24.93 O ATOM 2321 CB THR B 120 3.753 19.509 22.270 1.00 26.81 C ATOM 2322 OG1 THR B 120 3.835 19.735 20.861 1.00 26.63 O ATOM 2323 CG2 THR B 120 2.713 18.428 22.552 1.00 27.80 C ATOM 2324 HG1 THR B 120 4.548 20.397 20.675 1.00 0.00 H ATOM 2325 H THR B 120 5.315 21.512 22.131 1.00 0.00 H ATOM 2326 N CYS B 121 4.367 20.640 25.239 1.00 21.02 N ATOM 2327 CA CYS B 121 4.320 20.578 26.707 1.00 21.93 C ATOM 2328 C CYS B 121 3.715 21.830 27.297 1.00 25.05 C ATOM 2329 O CYS B 121 2.888 21.742 28.207 1.00 25.82 O ATOM 2330 CB CYS B 121 5.702 20.320 27.296 1.00 22.78 C ATOM 2331 SG CYS B 121 6.356 18.678 26.932 1.00 26.53 S ATOM 2332 H CYS B 121 5.292 20.596 24.765 1.00 0.00 H ATOM 2333 N ARG B 122 4.128 22.992 26.773 1.00 20.89 N ATOM 2334 CA ARG B 122 3.679 24.308 27.225 1.00 22.31 C ATOM 2335 C ARG B 122 2.166 24.425 27.081 1.00 27.98 C ATOM 2336 O ARG B 122 1.485 24.785 28.043 1.00 28.22 O ATOM 2337 CB ARG B 122 4.398 25.405 26.416 1.00 23.72 C ATOM 2338 CG ARG B 122 4.098 26.830 26.867 1.00 35.33 C ATOM 2339 CD ARG B 122 4.770 27.857 25.972 1.00 45.48 C ATOM 2340 NE ARG B 122 6.193 28.029 26.285 1.00 54.97 N ATOM 2341 CZ ARG B 122 7.192 27.762 25.446 1.00 69.30 C ATOM 2342 NH1 ARG B 122 6.941 27.302 24.225 1.00 53.83 N ATOM 2343 NH2 ARG B 122 8.449 27.962 25.819 1.00 56.27 N ATOM 2344 HE ARG B 122 6.439 28.385 27.231 1.00 0.00 H ATOM 2345 HH12 ARG B 122 7.727 27.096 23.575 1.00 0.00 H ATOM 2346 HH11 ARG B 122 5.959 27.148 23.919 1.00 0.00 H ATOM 2347 HH22 ARG B 122 9.226 27.752 25.161 1.00 0.00 H ATOM 2348 HH21 ARG B 122 8.657 28.329 26.770 1.00 0.00 H ATOM 2349 H ARG B 122 4.814 22.955 25.992 1.00 0.00 H ATOM 2350 N LYS B 123 1.642 24.066 25.899 1.00 26.41 N ATOM 2351 CA LYS B 123 0.212 24.141 25.624 1.00 27.92 C ATOM 2352 C LYS B 123 -0.596 23.196 26.528 1.00 32.96 C ATOM 2353 O LYS B 123 -1.622 23.615 27.066 1.00 33.09 O ATOM 2354 CB LYS B 123 -0.066 23.943 24.121 1.00 30.67 C ATOM 2355 CG LYS B 123 -0.121 25.264 23.324 1.00 48.58 C ATOM 2356 CD LYS B 123 1.214 26.027 23.235 1.00 58.00 C ATOM 2357 CE LYS B 123 1.085 27.413 22.649 1.00 70.50 C ATOM 2358 NZ LYS B 123 0.960 27.382 21.168 1.00 81.88 N ATOM 2359 HZ1 LYS B 123 1.805 26.933 20.759 1.00 0.00 H ATOM 2360 HZ2 LYS B 123 0.114 26.837 20.904 1.00 0.00 H ATOM 2361 HZ3 LYS B 123 0.874 28.354 20.808 1.00 0.00 H ATOM 2362 H LYS B 123 2.279 23.722 25.152 1.00 0.00 H ATOM 2363 N PHE B 124 -0.093 21.969 26.772 1.00 30.38 N ATOM 2364 CA PHE B 124 -0.760 21.027 27.676 1.00 31.92 C ATOM 2365 C PHE B 124 -0.770 21.508 29.126 1.00 35.48 C ATOM 2366 O PHE B 124 -1.787 21.348 29.808 1.00 35.36 O ATOM 2367 CB PHE B 124 -0.184 19.619 27.558 1.00 33.80 C ATOM 2368 CG PHE B 124 -0.819 18.863 26.425 1.00 36.98 C ATOM 2369 CD1 PHE B 124 -2.124 18.418 26.516 1.00 42.14 C ATOM 2370 CD2 PHE B 124 -0.124 18.631 25.252 1.00 39.70 C ATOM 2371 CE1 PHE B 124 -2.716 17.739 25.462 1.00 43.66 C ATOM 2372 CE2 PHE B 124 -0.718 17.955 24.199 1.00 43.11 C ATOM 2373 CZ PHE B 124 -2.011 17.515 24.309 1.00 42.39 C ATOM 2374 H PHE B 124 0.792 21.683 26.306 1.00 0.00 H ATOM 2375 N ILE B 125 0.345 22.128 29.583 1.00 30.76 N ATOM 2376 CA ILE B 125 0.466 22.698 30.935 1.00 30.59 C ATOM 2377 C ILE B 125 -0.602 23.797 31.143 1.00 34.74 C ATOM 2378 O ILE B 125 -1.235 23.853 32.202 1.00 34.39 O ATOM 2379 CB ILE B 125 1.922 23.189 31.223 1.00 33.21 C ATOM 2380 CG1 ILE B 125 2.854 21.995 31.485 1.00 32.57 C ATOM 2381 CG2 ILE B 125 1.976 24.156 32.412 1.00 35.23 C ATOM 2382 CD1 ILE B 125 4.384 22.269 31.283 1.00 36.80 C ATOM 2383 H ILE B 125 1.161 22.205 28.943 1.00 0.00 H ATOM 2384 N LYS B 126 -0.817 24.639 30.119 1.00 30.75 N ATOM 2385 CA LYS B 126 -1.799 25.723 30.171 1.00 31.07 C ATOM 2386 C LYS B 126 -3.239 25.192 30.079 1.00 36.99 C ATOM 2387 O LYS B 126 -4.170 25.899 30.466 1.00 38.91 O ATOM 2388 CB LYS B 126 -1.524 26.775 29.078 1.00 32.82 C ATOM 2389 CG LYS B 126 -0.156 27.433 29.218 1.00 40.05 C ATOM 2390 CD LYS B 126 0.069 28.568 28.236 1.00 49.52 C ATOM 2391 CE LYS B 126 1.431 29.205 28.420 1.00 58.64 C ATOM 2392 NZ LYS B 126 1.563 29.913 29.728 1.00 64.80 N ATOM 2393 HZ1 LYS B 126 0.848 30.666 29.787 1.00 0.00 H ATOM 2394 HZ2 LYS B 126 1.420 29.235 30.504 1.00 0.00 H ATOM 2395 HZ3 LYS B 126 2.513 30.330 29.801 1.00 0.00 H ATOM 2396 H LYS B 126 -0.260 24.515 29.249 1.00 0.00 H ATOM 2397 N ALA B 127 -3.414 23.949 29.571 1.00 32.83 N ATOM 2398 CA ALA B 127 -4.725 23.303 29.424 1.00 50.57 C ATOM 2399 C ALA B 127 -4.996 22.359 30.590 1.00 89.21 C ATOM 2400 O ALA B 127 -5.416 22.801 31.655 1.00 54.92 O ATOM 2401 CB ALA B 127 -4.788 22.538 28.113 1.00 50.35 C ATOM 2402 H ALA B 127 -2.571 23.421 29.267 1.00 0.00 H TER 2403 ALA B 127 HETATM 2404 O HOH 1 33.760 14.501 4.469 1.00 33.63 O HETATM 2405 O HOH 2 26.236 8.874 0.308 1.00 21.01 O HETATM 2406 O HOH 3 27.931 6.866 12.992 1.00 26.16 O HETATM 2407 O HOH 4 30.353 18.798 6.498 1.00 24.32 O HETATM 2408 O HOH 5 22.255 12.761 0.905 1.00 35.76 O HETATM 2409 O HOH 6 33.804 3.364 10.957 1.00 27.16 O HETATM 2410 O HOH 7 25.687 4.375 11.759 1.00 28.52 O HETATM 2411 O HOH 8 22.991 8.467 -3.019 1.00 38.95 O HETATM 2412 O HOH 9 28.707 11.430 2.609 1.00 30.28 O HETATM 2413 O HOH 10 36.134 -4.911 3.937 1.00 31.81 O HETATM 2414 O HOH 11 30.851 4.022 -11.201 1.00 29.51 O HETATM 2415 O HOH 12 16.117 -9.399 13.407 1.00 34.32 O HETATM 2416 O HOH 13 22.194 -10.073 -9.164 1.00 35.93 O HETATM 2417 O HOH 14 21.032 6.389 12.456 1.00 25.05 O HETATM 2418 O HOH 15 34.933 1.178 12.112 1.00 64.10 O HETATM 2419 O HOH 16 20.167 -10.186 -7.315 1.00 30.27 O HETATM 2420 O HOH 17 22.987 -4.803 -9.530 1.00 28.47 O HETATM 2421 O HOH 18 27.643 -9.964 -0.130 1.00 30.75 O HETATM 2422 O HOH 19 29.554 7.691 -5.552 1.00 36.25 O HETATM 2423 O HOH 20 10.501 10.047 4.268 1.00 32.24 O HETATM 2424 O HOH 21 12.985 -0.357 6.773 1.00 33.67 O HETATM 2425 O HOH 22 31.333 -9.001 -1.735 1.00 36.82 O HETATM 2426 O HOH 23 35.177 -0.464 -11.809 1.00 33.26 O HETATM 2427 O HOH 24 16.258 -2.105 -16.989 1.00 40.14 O HETATM 2428 O HOH 25 22.982 4.677 -16.286 1.00 32.99 O HETATM 2429 O HOH 26 14.029 -0.883 2.972 1.00 37.44 O HETATM 2430 O HOH 27 22.083 -11.459 -0.419 1.00 36.85 O HETATM 2431 O HOH 28 1.493 -3.613 -11.795 1.00 37.07 O HETATM 2432 O HOH 29 6.302 9.983 13.139 1.00 22.22 O HETATM 2433 O HOH 30 32.660 11.718 8.477 1.00 41.41 O HETATM 2434 O HOH 31 35.281 4.243 6.098 1.00 33.49 O HETATM 2435 O HOH 32 37.329 2.955 -4.937 1.00 21.25 O HETATM 2436 O HOH 33 37.497 -1.651 7.210 1.00 46.20 O HETATM 2437 O HOH 34 33.448 -6.673 -5.449 1.00 42.52 O HETATM 2438 O HOH 35 24.374 5.525 13.891 1.00 24.08 O HETATM 2439 O HOH 36 23.117 -7.728 -10.276 1.00 32.46 O HETATM 2440 O HOH 37 6.685 10.679 9.868 1.00 24.62 O HETATM 2441 O HOH 38 9.775 15.858 15.693 1.00 35.69 O HETATM 2442 O HOH 39 15.837 6.406 -5.503 1.00 25.56 O HETATM 2443 O HOH 40 35.327 5.631 -7.669 1.00 34.80 O HETATM 2444 O HOH 41 17.123 -8.084 -12.884 1.00 37.76 O HETATM 2445 O HOH 42 14.576 12.175 3.631 1.00 23.11 O HETATM 2446 O HOH 43 31.215 1.771 13.338 1.00 45.44 O HETATM 2447 O HOH 44 5.588 -0.007 -8.826 1.00 33.04 O HETATM 2448 O HOH 45 31.092 -4.408 -6.697 1.00 50.47 O HETATM 2449 O HOH 46 11.981 12.158 5.137 1.00 26.86 O HETATM 2450 O HOH 47 37.292 0.634 -13.181 1.00 21.67 O HETATM 2451 O HOH 48 32.243 1.762 -11.802 1.00 26.25 O HETATM 2452 O HOH 49 9.635 6.090 -10.522 1.00 44.94 O HETATM 2453 O HOH 50 13.051 7.701 10.403 1.00 26.09 O HETATM 2454 O HOH 51 33.263 -4.039 -4.436 1.00 31.19 O HETATM 2455 O HOH 52 33.555 6.856 -6.004 1.00 30.95 O HETATM 2456 O HOH 53 34.798 -2.804 -6.273 1.00 28.30 O HETATM 2457 O HOH 54 27.934 -2.528 18.893 1.00 22.03 O HETATM 2458 O HOH 55 5.885 13.755 6.470 1.00 43.12 O HETATM 2459 O HOH 56 29.241 9.051 -1.015 1.00 32.68 O HETATM 2460 O HOH 57 17.429 8.297 -6.659 1.00 40.52 O HETATM 2461 O HOH 58 32.275 16.760 4.875 1.00 32.09 O HETATM 2462 O HOH 59 32.259 8.831 -2.149 1.00 24.83 O HETATM 2463 O HOH 60 33.666 -6.626 2.149 1.00 33.39 O HETATM 2464 O HOH 61 11.023 5.029 -17.652 1.00 42.32 O HETATM 2465 O HOH 62 34.370 8.147 -0.346 1.00 29.41 O HETATM 2466 O HOH 63 4.882 15.756 14.101 1.00 26.69 O HETATM 2467 O HOH 64 19.768 4.789 -12.186 1.00 31.98 O HETATM 2468 O HOH 65 14.455 19.180 12.593 1.00 39.97 O HETATM 2469 O HOH 66 8.826 -12.142 -10.761 1.00 50.37 O HETATM 2470 O HOH 67 31.567 13.888 11.512 1.00 17.73 O HETATM 2471 O HOH 68 24.655 6.458 -9.692 1.00 33.28 O HETATM 2472 O HOH 69 26.824 5.189 -8.807 1.00 36.50 O HETATM 2473 O HOH 70 32.089 -2.140 16.132 1.00 42.21 O HETATM 2474 O HOH 71 25.075 12.043 -0.306 1.00 38.43 O HETATM 2475 O HOH 72 40.245 2.358 -2.304 1.00 53.94 O HETATM 2476 O HOH 73 37.885 1.586 -0.256 1.00 47.31 O HETATM 2477 O HOH 74 33.217 9.198 -4.674 1.00 31.99 O HETATM 2478 O HOH 75 29.338 11.624 -0.005 1.00 44.18 O HETATM 2479 O HOH 76 30.476 16.117 -1.810 1.00 40.30 O HETATM 2480 O HOH 77 31.969 6.250 20.602 1.00 20.53 O HETATM 2481 O HOH 78 29.744 10.711 34.408 1.00 26.47 O HETATM 2482 O HOH 79 6.651 6.631 7.743 1.00 29.24 O HETATM 2483 O HOH 80 21.240 0.127 24.541 1.00 30.67 O HETATM 2484 O HOH 81 18.816 3.548 25.535 1.00 24.59 O HETATM 2485 O HOH 82 19.892 9.348 39.331 1.00 52.87 O HETATM 2486 O HOH 83 32.005 24.655 19.852 1.00 42.42 O HETATM 2487 O HOH 84 36.414 14.561 21.329 1.00 23.58 O HETATM 2488 O HOH 85 26.038 7.420 15.254 1.00 22.99 O HETATM 2489 O HOH 86 26.680 4.185 15.456 1.00 28.37 O HETATM 2490 O HOH 87 14.841 0.731 22.866 1.00 30.89 O HETATM 2491 O HOH 88 15.793 24.052 30.569 1.00 34.31 O HETATM 2492 O HOH 89 30.770 12.593 21.396 1.00 25.11 O HETATM 2493 O HOH 90 20.606 24.275 25.409 1.00 30.46 O HETATM 2494 O HOH 91 31.601 15.125 14.180 1.00 21.74 O HETATM 2495 O HOH 92 27.458 19.030 31.524 1.00 32.17 O HETATM 2496 O HOH 93 34.335 19.059 14.787 1.00 24.90 O HETATM 2497 O HOH 94 7.914 0.721 4.074 1.00 37.19 O HETATM 2498 O HOH 95 10.133 14.045 35.954 1.00 30.72 O HETATM 2499 O HOH 96 13.234 3.605 27.768 1.00 44.12 O HETATM 2500 O HOH 97 30.498 13.075 16.769 1.00 26.56 O HETATM 2501 O HOH 98 27.452 -2.652 21.552 1.00 34.20 O HETATM 2502 O HOH 99 12.986 16.233 18.007 1.00 34.57 O HETATM 2503 O HOH 100 26.977 6.690 36.145 1.00 22.28 O HETATM 2504 O HOH 101 38.070 17.509 17.076 1.00 26.00 O HETATM 2505 O HOH 102 8.140 9.400 25.634 1.00 19.80 O HETATM 2506 O HOH 103 33.203 12.529 28.799 1.00 28.45 O HETATM 2507 O HOH 104 5.878 8.959 5.735 1.00 59.81 O HETATM 2508 O HOH 105 5.736 9.709 31.297 1.00 26.57 O HETATM 2509 O HOH 106 21.864 15.952 34.899 1.00 35.35 O HETATM 2510 O HOH 107 8.658 7.371 27.658 1.00 31.75 O HETATM 2511 O HOH 108 37.458 24.676 13.722 1.00 28.83 O HETATM 2512 O HOH 109 33.271 25.527 17.497 1.00 36.58 O HETATM 2513 O HOH 110 9.927 3.390 16.725 1.00 18.98 O HETATM 2514 O HOH 111 25.460 21.298 27.957 1.00 42.00 O HETATM 2515 O HOH 112 34.768 9.416 26.493 1.00 34.93 O HETATM 2516 O HOH 113 15.194 18.780 33.262 1.00 24.89 O HETATM 2517 O HOH 114 17.910 5.838 38.975 1.00 42.60 O HETATM 2518 O HOH 115 11.135 21.199 17.076 1.00 40.50 O HETATM 2519 O HOH 116 25.358 2.240 29.990 1.00 21.64 O HETATM 2520 O HOH 117 9.555 1.315 18.670 1.00 37.56 O HETATM 2521 O HOH 118 24.171 4.732 37.331 1.00 28.58 O HETATM 2522 O HOH 119 22.196 24.016 18.286 1.00 28.63 O HETATM 2523 O HOH 120 8.412 4.051 14.293 1.00 25.09 O HETATM 2524 O HOH 121 10.854 4.782 29.797 1.00 39.39 O HETATM 2525 O HOH 122 5.040 18.695 36.124 1.00 27.58 O HETATM 2526 O HOH 123 7.370 6.546 14.220 1.00 27.68 O HETATM 2527 O HOH 124 8.158 7.431 4.833 1.00 24.63 O HETATM 2528 O HOH 125 40.012 16.688 13.311 1.00 43.88 O HETATM 2529 O HOH 126 11.204 -0.735 17.947 1.00 28.46 O HETATM 2530 O HOH 127 7.747 18.063 36.461 1.00 24.44 O HETATM 2531 O HOH 128 30.542 15.599 28.971 1.00 34.98 O HETATM 2532 O HOH 129 27.956 -0.127 22.466 1.00 33.63 O HETATM 2533 O HOH 130 28.563 12.898 37.197 1.00 28.36 O HETATM 2534 O HOH 131 20.490 2.611 28.201 1.00 25.37 O HETATM 2535 O HOH 132 31.826 9.557 16.871 1.00 39.75 O HETATM 2536 O HOH 133 29.361 2.337 34.279 1.00 24.94 O HETATM 2537 O HOH 134 1.228 12.539 37.622 1.00 39.36 O HETATM 2538 O HOH 135 14.241 11.514 37.474 1.00 29.34 O HETATM 2539 O HOH 136 9.121 15.792 37.787 1.00 31.41 O HETATM 2540 O HOH 137 27.599 17.473 34.505 1.00 35.26 O HETATM 2541 O HOH 138 5.616 2.024 2.555 1.00 45.70 O HETATM 2542 O HOH 139 11.147 3.101 23.505 1.00 43.92 O HETATM 2543 O HOH 140 20.975 -4.631 25.471 1.00 37.74 O HETATM 2544 O HOH 141 22.660 2.096 30.227 1.00 27.62 O HETATM 2545 O HOH 142 7.934 8.267 32.467 1.00 31.93 O HETATM 2546 O HOH 143 10.974 19.055 18.758 1.00 21.59 O HETATM 2547 O HOH 144 11.090 21.032 35.930 1.00 37.88 O HETATM 2548 O HOH 145 17.688 25.464 28.547 1.00 46.59 O HETATM 2549 O HOH 146 16.404 0.880 25.163 1.00 41.25 O HETATM 2550 O HOH 147 30.511 0.386 21.627 1.00 46.95 O HETATM 2551 O HOH 148 17.442 3.965 27.839 1.00 45.58 O HETATM 2552 O HOH 149 37.607 12.599 22.814 1.00 34.77 O HETATM 2553 O HOH 150 34.474 13.538 10.903 1.00 36.21 O HETATM 2554 O HOH 151 9.335 20.078 37.858 1.00 38.05 O HETATM 2555 O HOH 152 13.493 19.799 35.506 1.00 32.76 O HETATM 2556 O HOH 153 30.103 -1.039 18.142 1.00 42.07 O HETATM 2557 N1 RC A 0 18.839 20.431 9.612 1.00 -0.14 N HETATM 2558 C6 RC A 0 17.788 21.216 10.012 1.00 0.08 C HETATM 2559 C7 RC A 0 17.545 22.092 9.018 1.00 -0.04 C HETATM 2560 C10 RC A 0 18.467 21.835 7.998 1.00 -0.00 C HETATM 2561 C22 RC A 0 18.540 22.536 6.687 1.00 -0.03 C HETATM 2562 H7 RC A 0 19.366 22.118 6.093 1.00 0.04 H HETATM 2563 H8 RC A 0 18.715 23.609 6.854 1.00 0.04 H HETATM 2564 H9 RC A 0 17.593 22.399 6.145 1.00 0.04 H HETATM 2565 N4 RC A 0 19.243 20.855 8.349 1.00 -0.22 N HETATM 2566 H1 RC A 0 16.773 22.860 9.010 1.00 0.02 H HETATM 2567 C17 RC A 0 17.015 21.164 11.312 1.00 0.00 C HETATM 2568 H2 RC A 0 16.233 21.938 11.305 1.00 0.04 H HETATM 2569 H3 RC A 0 17.700 21.343 12.154 1.00 0.04 H HETATM 2570 H4 RC A 0 16.549 20.174 11.422 1.00 0.04 H HETATM 2571 C2 RC A 0 19.411 19.363 10.288 1.00 0.25 C HETATM 2572 N3 RC A 0 19.151 19.220 11.577 1.00 -0.22 N HETATM 2573 C5 RC A 0 19.632 18.193 12.263 1.00 0.16 C HETATM 2574 C9 RC A 0 20.363 17.207 11.578 1.00 0.10 C HETATM 2575 C12 RC A 0 20.586 17.356 10.218 1.00 0.02 C HETATM 2576 N8 RC A 0 20.097 18.435 9.610 1.00 -0.25 N HETATM 2577 H11 RC A 0 21.145 16.612 9.663 1.00 0.09 H HETATM 2578 CL4 RC A 0 21.011 15.815 12.387 1.00 -0.07 CL HETATM 2579 N11 RC A 0 19.378 18.070 13.618 1.00 -0.25 N HETATM 2580 C13 RC A 0 18.809 19.138 14.335 1.00 0.06 C HETATM 2581 C18 RC A 0 19.356 20.425 14.327 1.00 -0.04 C HETATM 2582 C21 RC A 0 18.763 21.433 15.075 1.00 -0.06 C HETATM 2583 C15 RC A 0 17.648 21.166 15.861 1.00 0.03 C HETATM 2584 C20 RC A 0 17.130 19.876 15.910 1.00 -0.06 C HETATM 2585 C19 RC A 0 17.706 18.869 15.147 1.00 -0.04 C HETATM 2586 H13 RC A 0 17.296 17.866 15.182 1.00 0.05 H HETATM 2587 H5 RC A 0 16.278 19.657 16.543 1.00 0.06 H HETATM 2588 CL6 RC A 0 16.951 22.427 16.838 1.00 -0.08 CL HETATM 2589 H6 RC A 0 19.173 22.436 15.046 1.00 0.06 H HETATM 2590 H12 RC A 0 20.241 20.635 13.738 1.00 0.05 H HETATM 2591 H10 RC A 0 19.607 17.191 14.104 1.00 0.22 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1217 1218 1225 1226 1227 CONECT 1225 1217 CONECT 1226 1217 CONECT 1227 1217 CONECT 2557 2558 2565 2571 CONECT 2558 2557 2559 2567 CONECT 2559 2558 2560 2566 CONECT 2560 2559 2561 2565 CONECT 2561 2560 2562 2563 2564 CONECT 2562 2561 CONECT 2563 2561 CONECT 2564 2561 CONECT 2565 2557 2560 CONECT 2566 2559 CONECT 2567 2558 2568 2569 2570 CONECT 2568 2567 CONECT 2569 2567 CONECT 2570 2567 CONECT 2571 2557 2572 2576 CONECT 2572 2571 2573 CONECT 2573 2572 2574 2579 CONECT 2574 2573 2575 2578 CONECT 2575 2574 2576 2577 CONECT 2576 2571 2575 CONECT 2577 2575 CONECT 2578 2574 CONECT 2579 2573 2580 2591 CONECT 2580 2579 2581 2585 CONECT 2581 2580 2582 2590 CONECT 2582 2581 2583 2589 CONECT 2583 2582 2584 2588 CONECT 2584 2583 2585 2587 CONECT 2585 2580 2584 2586 CONECT 2586 2585 CONECT 2587 2584 CONECT 2588 2583 CONECT 2589 2582 CONECT 2590 2581 CONECT 2591 2579 MASTER 0 0 0 0 0 0 0 0 2589 2 43 20 END
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Structure:
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Related entries of code: 5mw6
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Protein Sequence Similarity
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PDBbind
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RCSB PDB
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5mw6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
B-cell lymphoma 6 protein
Ligand Name
RC0
EC.Number
E.C.-.-.-.-
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
IC50=18648nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Cell Rep Vol. 20: pp. 2860-2875
Ligand Properties
Formula
C
1
5
H
1
3
Cl
2
N
5
Molecular Weight
334.203
Exact Mass
333.055
No. of atoms
35
No. of bonds
37
Polar Surface Area
55.63
LOGP Value
4.44 (
Computed with XLOGP3
)
4.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
Clc1ccc(cc1)Nc1nc(ncc1Cl)n1nc(cc1C)C
InChI String
InChI=1S/C15H13Cl2N5/c1-9-7-10(2)22(21-9)15-18-8-13(17)14(20-15)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,18,19,20)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P41182
Entrez Gene ID
NCBI Entrez Gene ID:
604
ASD
Information of known allosteric effects of PDB entries
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