Browse entries in the PDBbind-CN Database
HEADER 5G2G_COMPLEX COMPND 5G2G_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 127 ASN LEU PRO THR ALA GLN GLU VAL GLN GLY LEU MET ALA SEQRES 2 A 127 ARG TYR ILE GLU LEU VAL ASP VAL GLY ASP ILE GLU ALA SEQRES 3 A 127 ILE VAL GLN MET TYR ALA ASP ASP ALA THR VAL GLU ASP SEQRES 4 A 127 PRO PHE GLY GLN PRO PRO ILE HIS GLY ARG GLU GLN ILE SEQRES 5 A 127 ALA ALA PHE TYR ARG GLN GLY LEU GLY GLY GLY LYS VAL SEQRES 6 A 127 ARG ALA CYS LEU THR GLY PRO VAL ARG ALA SER HIS ASN SEQRES 7 A 127 GLY CYS GLY ALA MET PRO PHE ARG VAL GLU MET VAL TRP SEQRES 8 A 127 ASN GLY GLN PRO CYS ALA LEU ASP VAL ILE ASP VAL MET SEQRES 9 A 127 ARG PHE ASP GLU HIS GLY ARG ILE GLN THR LYS GLN ALA SEQRES 10 A 127 TYR TRP SER GLU VAL ASN LEU SER VAL ARG SEQRES 1 B 126 LEU PRO THR ALA GLN GLU VAL GLN GLY LEU MET ALA ARG SEQRES 2 B 126 TYR ILE GLU LEU VAL ASP VAL GLY ASP ILE GLU ALA ILE SEQRES 3 B 126 VAL GLN MET TYR ALA ASP ASP ALA THR VAL GLU ASP PRO SEQRES 4 B 126 PHE GLY GLN PRO PRO ILE HIS GLY ARG GLU GLN ILE ALA SEQRES 5 B 126 ALA PHE TYR ARG GLN GLY LEU GLY GLY GLY LYS VAL ARG SEQRES 6 B 126 ALA CYS LEU THR GLY PRO VAL ARG ALA SER HIS ASN GLY SEQRES 7 B 126 CYS GLY ALA MET PRO PHE ARG VAL GLU MET VAL TRP ASN SEQRES 8 B 126 GLY GLN PRO CYS ALA LEU ASP VAL ILE ASP VAL MET ARG SEQRES 9 B 126 PHE ASP GLU HIS GLY ARG ILE GLN THR LYS GLN ALA TYR SEQRES 10 B 126 TRP SER GLU VAL ASN LEU SER VAL ARG HET EQU A 339 34 ATOM 1 N ASN A 2 13.246 -35.391 -9.168 1.00 54.81 N ATOM 2 CA ASN A 2 13.862 -35.520 -10.483 1.00 55.74 C ATOM 3 C ASN A 2 13.493 -34.351 -11.414 1.00 50.39 C ATOM 4 O ASN A 2 12.602 -33.565 -11.084 1.00 49.82 O ATOM 5 CB ASN A 2 13.451 -36.838 -11.120 1.00 64.30 C ATOM 6 CG ASN A 2 14.467 -37.326 -12.113 1.00 77.70 C ATOM 7 OD1 ASN A 2 15.630 -36.917 -12.068 1.00 83.20 O ATOM 8 ND2 ASN A 2 14.045 -38.201 -13.023 1.00 82.53 N ATOM 9 HD22 ASN A 2 13.054 -38.516 -13.021 1.00 0.00 H ATOM 10 HD21 ASN A 2 14.706 -38.569 -13.736 1.00 0.00 H ATOM 11 HN3 ASN A 2 12.211 -35.373 -9.271 1.00 0.00 H ATOM 12 HN2 ASN A 2 13.566 -34.508 -8.722 1.00 0.00 H ATOM 13 HN1 ASN A 2 13.523 -36.200 -8.576 1.00 0.00 H ATOM 14 N LEU A 3 14.176 -34.222 -12.563 1.00 45.46 N ATOM 15 CA LEU A 3 13.806 -33.179 -13.537 1.00 41.14 C ATOM 16 C LEU A 3 12.413 -33.503 -14.051 1.00 36.34 C ATOM 17 O LEU A 3 12.187 -34.629 -14.526 1.00 36.44 O ATOM 18 CB LEU A 3 14.800 -33.102 -14.698 1.00 39.24 C ATOM 19 CG LEU A 3 14.558 -31.973 -15.714 1.00 33.63 C ATOM 20 CD1 LEU A 3 15.004 -30.664 -15.157 1.00 35.47 C ATOM 21 CD2 LEU A 3 15.275 -32.225 -17.051 1.00 36.60 C ATOM 22 H LEU A 3 14.970 -34.861 -12.767 1.00 0.00 H ATOM 23 N PRO A 4 11.448 -32.591 -13.958 1.00 31.50 N ATOM 24 CA PRO A 4 10.066 -32.959 -14.279 1.00 31.84 C ATOM 25 C PRO A 4 9.916 -33.341 -15.745 1.00 28.97 C ATOM 26 O PRO A 4 10.407 -32.646 -16.644 1.00 30.94 O ATOM 27 CB PRO A 4 9.262 -31.698 -13.938 1.00 27.98 C ATOM 28 CG PRO A 4 10.258 -30.604 -13.873 1.00 31.72 C ATOM 29 CD PRO A 4 11.552 -31.203 -13.469 1.00 25.93 C ATOM 30 N THR A 5 9.252 -34.468 -15.975 1.00 28.50 N ATOM 31 CA THR A 5 8.793 -34.816 -17.313 1.00 29.00 C ATOM 32 C THR A 5 7.836 -33.746 -17.840 1.00 26.40 C ATOM 33 O THR A 5 7.421 -32.845 -17.120 1.00 25.12 O ATOM 34 CB THR A 5 8.067 -36.156 -17.288 1.00 32.44 C ATOM 35 OG1 THR A 5 6.860 -36.000 -16.541 1.00 32.31 O ATOM 36 CG2 THR A 5 8.926 -37.249 -16.640 1.00 34.70 C ATOM 37 HG1 THR A 5 7.079 -35.715 -15.618 1.00 0.00 H ATOM 38 H THR A 5 9.056 -35.115 -15.184 1.00 0.00 H ATOM 39 N ALA A 6 7.434 -33.884 -19.108 1.00 27.10 N ATOM 40 CA ALA A 6 6.498 -32.908 -19.677 1.00 25.33 C ATOM 41 C ALA A 6 5.169 -32.898 -18.918 1.00 24.85 C ATOM 42 O ALA A 6 4.621 -31.833 -18.619 1.00 24.11 O ATOM 43 CB ALA A 6 6.274 -33.218 -21.175 1.00 27.18 C ATOM 44 H ALA A 6 7.782 -34.676 -19.685 1.00 0.00 H ATOM 45 N GLN A 7 4.628 -34.078 -18.587 1.00 27.26 N ATOM 46 CA GLN A 7 3.381 -34.084 -17.816 1.00 28.36 C ATOM 47 C GLN A 7 3.583 -33.471 -16.432 1.00 28.84 C ATOM 48 O GLN A 7 2.710 -32.751 -15.926 1.00 24.59 O ATOM 49 CB GLN A 7 2.834 -35.500 -17.687 1.00 35.24 C ATOM 50 CG GLN A 7 2.316 -36.084 -19.006 1.00 39.51 C ATOM 51 CD GLN A 7 1.762 -37.484 -18.823 1.00 45.76 C ATOM 52 OE1 GLN A 7 1.915 -38.089 -17.767 1.00 51.11 O ATOM 53 NE2 GLN A 7 1.101 -37.996 -19.853 1.00 51.29 N ATOM 54 HE22 GLN A 7 0.996 -37.446 -20.729 1.00 0.00 H ATOM 55 HE21 GLN A 7 0.687 -38.948 -19.784 1.00 0.00 H ATOM 56 H GLN A 7 5.082 -34.970 -18.871 1.00 0.00 H ATOM 57 N GLU A 8 4.739 -33.724 -15.813 1.00 25.81 N ATOM 58 CA GLU A 8 4.995 -33.154 -14.493 1.00 24.69 C ATOM 59 C GLU A 8 5.121 -31.638 -14.561 1.00 21.99 C ATOM 60 O GLU A 8 4.663 -30.941 -13.652 1.00 23.52 O ATOM 61 CB GLU A 8 6.251 -33.778 -13.875 1.00 28.95 C ATOM 62 CG GLU A 8 6.060 -35.268 -13.478 1.00 37.26 C ATOM 63 CD GLU A 8 7.352 -35.988 -13.125 1.00 41.51 C ATOM 64 OE1 GLU A 8 8.452 -35.498 -13.453 1.00 35.33 O ATOM 65 OE2 GLU A 8 7.261 -37.060 -12.486 1.00 51.91 O ATOM 66 H GLU A 8 5.455 -34.325 -16.269 1.00 0.00 H ATOM 67 N VAL A 9 5.728 -31.112 -15.642 1.00 20.42 N ATOM 68 CA VAL A 9 5.783 -29.666 -15.844 1.00 17.90 C ATOM 69 C VAL A 9 4.376 -29.085 -15.919 1.00 19.16 C ATOM 70 O VAL A 9 4.064 -28.094 -15.246 1.00 19.06 O ATOM 71 CB VAL A 9 6.611 -29.315 -17.098 1.00 18.05 C ATOM 72 CG1 VAL A 9 6.457 -27.827 -17.432 1.00 16.94 C ATOM 73 CG2 VAL A 9 8.083 -29.660 -16.862 1.00 23.29 C ATOM 74 H VAL A 9 6.164 -31.744 -16.343 1.00 0.00 H ATOM 75 N GLN A 10 3.496 -29.688 -16.733 1.00 21.52 N ATOM 76 CA GLN A 10 2.118 -29.191 -16.763 1.00 19.33 C ATOM 77 C GLN A 10 1.489 -29.161 -15.366 1.00 18.40 C ATOM 78 O GLN A 10 0.792 -28.203 -14.995 1.00 21.17 O ATOM 79 CB GLN A 10 1.257 -30.059 -17.659 1.00 20.85 C ATOM 80 CG GLN A 10 1.713 -30.157 -19.135 1.00 21.55 C ATOM 81 CD GLN A 10 0.664 -30.840 -19.963 1.00 29.78 C ATOM 82 OE1 GLN A 10 0.386 -32.030 -19.769 1.00 28.78 O ATOM 83 NE2 GLN A 10 0.059 -30.088 -20.908 1.00 27.51 N ATOM 84 HE22 GLN A 10 0.329 -29.091 -21.031 1.00 0.00 H ATOM 85 HE21 GLN A 10 -0.677 -30.506 -21.512 1.00 0.00 H ATOM 86 H GLN A 10 3.785 -30.490 -17.329 1.00 0.00 H ATOM 87 N GLY A 11 1.688 -30.216 -14.589 1.00 20.45 N ATOM 88 CA GLY A 11 1.120 -30.216 -13.241 1.00 22.89 C ATOM 89 C GLY A 11 1.684 -29.118 -12.342 1.00 21.69 C ATOM 90 O GLY A 11 0.941 -28.454 -11.601 1.00 20.98 O ATOM 91 H GLY A 11 2.238 -31.029 -14.932 1.00 0.00 H ATOM 92 N LEU A 12 3.008 -28.914 -12.395 1.00 20.32 N ATOM 93 CA LEU A 12 3.654 -27.920 -11.537 1.00 19.60 C ATOM 94 C LEU A 12 3.211 -26.512 -11.900 1.00 16.03 C ATOM 95 O LEU A 12 2.867 -25.715 -11.020 1.00 15.33 O ATOM 96 CB LEU A 12 5.178 -28.050 -11.631 1.00 17.56 C ATOM 97 CG LEU A 12 5.822 -29.271 -10.941 1.00 22.60 C ATOM 98 CD1 LEU A 12 7.175 -29.579 -11.561 1.00 24.10 C ATOM 99 CD2 LEU A 12 6.003 -29.036 -9.414 1.00 23.99 C ATOM 100 H LEU A 12 3.585 -29.471 -13.057 1.00 0.00 H ATOM 101 N MET A 13 3.199 -26.192 -13.202 1.00 15.84 N ATOM 102 CA MET A 13 2.837 -24.840 -13.633 1.00 12.24 C ATOM 103 C MET A 13 1.373 -24.539 -13.350 1.00 15.17 C ATOM 104 O MET A 13 1.047 -23.408 -12.931 1.00 17.99 O ATOM 105 CB MET A 13 3.223 -24.663 -15.102 1.00 11.87 C ATOM 106 CG MET A 13 4.730 -24.758 -15.261 1.00 12.49 C ATOM 107 SD MET A 13 5.373 -24.407 -16.945 1.00 15.83 S ATOM 108 CE MET A 13 4.992 -22.654 -17.074 1.00 12.82 C ATOM 109 H MET A 13 3.449 -26.910 -13.912 1.00 0.00 H ATOM 110 N ALA A 14 0.498 -25.559 -13.459 1.00 13.61 N ATOM 111 CA ALA A 14 -0.902 -25.386 -13.066 1.00 19.30 C ATOM 112 C ALA A 14 -1.034 -25.151 -11.556 1.00 22.50 C ATOM 113 O ALA A 14 -1.857 -24.324 -11.114 1.00 20.74 O ATOM 114 CB ALA A 14 -1.729 -26.611 -13.470 1.00 18.71 C ATOM 115 H ALA A 14 0.820 -26.477 -13.826 1.00 0.00 H ATOM 116 N ARG A 15 -0.239 -25.880 -10.752 1.00 20.68 N ATOM 117 CA ARG A 15 -0.242 -25.658 -9.299 1.00 19.64 C ATOM 118 C ARG A 15 0.227 -24.249 -8.965 1.00 16.24 C ATOM 119 O ARG A 15 -0.307 -23.598 -8.057 1.00 18.39 O ATOM 120 CB ARG A 15 0.652 -26.667 -8.594 1.00 21.04 C ATOM 121 CG ARG A 15 0.599 -26.518 -7.061 1.00 20.36 C ATOM 122 CD ARG A 15 1.251 -27.635 -6.279 1.00 24.24 C ATOM 123 NE ARG A 15 1.240 -27.284 -4.827 1.00 32.60 N ATOM 124 CZ ARG A 15 2.298 -26.755 -4.218 1.00 36.49 C ATOM 125 NH1 ARG A 15 3.404 -26.560 -4.927 1.00 42.29 N ATOM 126 NH2 ARG A 15 2.276 -26.409 -2.933 1.00 35.95 N ATOM 127 HE ARG A 15 0.377 -27.459 -4.274 1.00 0.00 H ATOM 128 HH12 ARG A 15 4.245 -26.148 -4.475 1.00 0.00 H ATOM 129 HH11 ARG A 15 3.429 -26.819 -5.934 1.00 0.00 H ATOM 130 HH22 ARG A 15 3.123 -25.998 -2.491 1.00 0.00 H ATOM 131 HH21 ARG A 15 1.412 -26.550 -2.371 1.00 0.00 H ATOM 132 H ARG A 15 0.383 -26.606 -11.162 1.00 0.00 H ATOM 133 N TYR A 16 1.255 -23.780 -9.661 1.00 15.61 N ATOM 134 CA TYR A 16 1.746 -22.426 -9.428 1.00 16.12 C ATOM 135 C TYR A 16 0.638 -21.416 -9.641 1.00 15.39 C ATOM 136 O TYR A 16 0.460 -20.501 -8.831 1.00 13.83 O ATOM 137 CB TYR A 16 2.933 -22.118 -10.339 1.00 13.70 C ATOM 138 CG TYR A 16 3.273 -20.644 -10.429 1.00 11.03 C ATOM 139 CD1 TYR A 16 4.154 -20.085 -9.534 1.00 12.56 C ATOM 140 CD2 TYR A 16 2.683 -19.815 -11.399 1.00 9.99 C ATOM 141 CE1 TYR A 16 4.468 -18.734 -9.563 1.00 15.25 C ATOM 142 CE2 TYR A 16 2.975 -18.452 -11.440 1.00 13.47 C ATOM 143 CZ TYR A 16 3.894 -17.926 -10.536 1.00 14.98 C ATOM 144 OH TYR A 16 4.214 -16.579 -10.558 1.00 12.71 O ATOM 145 HH TYR A 16 4.595 -16.346 -11.441 1.00 0.00 H ATOM 146 H TYR A 16 1.713 -24.381 -10.376 1.00 0.00 H ATOM 147 N ILE A 17 -0.118 -21.549 -10.727 1.00 15.51 N ATOM 148 CA ILE A 17 -1.224 -20.614 -10.929 1.00 15.29 C ATOM 149 C ILE A 17 -2.245 -20.705 -9.784 1.00 18.34 C ATOM 150 O ILE A 17 -2.840 -19.692 -9.378 1.00 15.98 O ATOM 151 CB ILE A 17 -1.894 -20.868 -12.284 1.00 14.82 C ATOM 152 CG1 ILE A 17 -0.949 -20.502 -13.443 1.00 15.83 C ATOM 153 CG2 ILE A 17 -3.230 -20.137 -12.352 1.00 14.73 C ATOM 154 CD1 ILE A 17 -0.527 -19.019 -13.532 1.00 15.27 C ATOM 155 H ILE A 17 0.073 -22.302 -11.418 1.00 0.00 H ATOM 156 N GLU A 18 -2.542 -21.917 -9.310 1.00 18.06 N ATOM 157 CA GLU A 18 -3.508 -22.025 -8.219 1.00 19.14 C ATOM 158 C GLU A 18 -3.004 -21.316 -6.955 1.00 17.92 C ATOM 159 O GLU A 18 -3.788 -20.712 -6.206 1.00 18.10 O ATOM 160 CB GLU A 18 -3.821 -23.490 -7.937 1.00 25.44 C ATOM 161 CG GLU A 18 -4.777 -24.123 -8.956 1.00 40.49 C ATOM 162 CD GLU A 18 -6.221 -23.569 -8.898 1.00 53.65 C ATOM 163 OE1 GLU A 18 -6.442 -22.344 -9.072 1.00 50.15 O ATOM 164 OE2 GLU A 18 -7.153 -24.377 -8.691 1.00 63.69 O ATOM 165 H GLU A 18 -2.095 -22.767 -9.709 1.00 0.00 H ATOM 166 N LEU A 19 -1.694 -21.385 -6.702 1.00 17.47 N ATOM 167 CA LEU A 19 -1.143 -20.700 -5.538 1.00 15.53 C ATOM 168 C LEU A 19 -1.186 -19.198 -5.721 1.00 17.59 C ATOM 169 O LEU A 19 -1.436 -18.462 -4.761 1.00 17.89 O ATOM 170 CB LEU A 19 0.290 -21.159 -5.269 1.00 17.14 C ATOM 171 CG LEU A 19 0.512 -22.640 -4.918 1.00 22.33 C ATOM 172 CD1 LEU A 19 2.007 -22.948 -4.777 1.00 27.53 C ATOM 173 CD2 LEU A 19 -0.182 -23.007 -3.625 1.00 24.77 C ATOM 174 H LEU A 19 -1.069 -21.926 -7.333 1.00 0.00 H ATOM 175 N VAL A 20 -0.867 -18.708 -6.927 1.00 16.46 N ATOM 176 CA VAL A 20 -1.052 -17.283 -7.187 1.00 14.52 C ATOM 177 C VAL A 20 -2.498 -16.878 -6.920 1.00 17.86 C ATOM 178 O VAL A 20 -2.764 -15.860 -6.264 1.00 21.40 O ATOM 179 CB VAL A 20 -0.624 -16.939 -8.630 1.00 10.00 C ATOM 180 CG1 VAL A 20 -1.053 -15.539 -8.976 1.00 11.76 C ATOM 181 CG2 VAL A 20 0.871 -17.175 -8.787 1.00 12.57 C ATOM 182 H VAL A 20 -0.493 -19.334 -7.668 1.00 0.00 H ATOM 183 N ASP A 21 -3.453 -17.691 -7.390 1.00 16.46 N ATOM 184 CA ASP A 21 -4.856 -17.317 -7.303 1.00 18.92 C ATOM 185 C ASP A 21 -5.303 -17.231 -5.844 1.00 23.71 C ATOM 186 O ASP A 21 -6.142 -16.393 -5.498 1.00 26.07 O ATOM 187 CB ASP A 21 -5.716 -18.328 -8.055 1.00 20.72 C ATOM 188 CG ASP A 21 -7.188 -18.006 -8.000 1.00 24.41 C ATOM 189 OD1 ASP A 21 -7.578 -16.932 -8.505 1.00 24.20 O ATOM 190 OD2 ASP A 21 -7.966 -18.834 -7.461 1.00 28.64 O ATOM 191 H ASP A 21 -3.189 -18.599 -7.822 1.00 0.00 H ATOM 192 N VAL A 22 -4.813 -18.138 -4.992 1.00 20.17 N ATOM 193 CA VAL A 22 -5.207 -18.093 -3.576 1.00 23.61 C ATOM 194 C VAL A 22 -4.348 -17.136 -2.769 1.00 23.21 C ATOM 195 O VAL A 22 -4.698 -16.829 -1.619 1.00 26.16 O ATOM 196 CB VAL A 22 -5.154 -19.485 -2.912 1.00 26.52 C ATOM 197 CG1 VAL A 22 -3.733 -19.844 -2.529 1.00 29.47 C ATOM 198 CG2 VAL A 22 -6.073 -19.563 -1.709 1.00 31.01 C ATOM 199 H VAL A 22 -4.157 -18.871 -5.329 1.00 0.00 H ATOM 200 N GLY A 23 -3.224 -16.689 -3.321 1.00 18.60 N ATOM 201 CA GLY A 23 -2.372 -15.719 -2.676 1.00 18.11 C ATOM 202 C GLY A 23 -1.418 -16.284 -1.649 1.00 21.50 C ATOM 203 O GLY A 23 -1.076 -15.575 -0.691 1.00 22.85 O ATOM 204 H GLY A 23 -2.948 -17.053 -4.255 1.00 0.00 H ATOM 205 N ASP A 24 -0.966 -17.537 -1.824 1.00 20.36 N ATOM 206 CA ASP A 24 -0.145 -18.220 -0.814 1.00 19.06 C ATOM 207 C ASP A 24 1.335 -17.958 -1.111 1.00 18.92 C ATOM 208 O ASP A 24 2.040 -18.760 -1.727 1.00 21.72 O ATOM 209 CB ASP A 24 -0.480 -19.711 -0.776 1.00 19.43 C ATOM 210 CG ASP A 24 0.112 -20.408 0.458 1.00 21.06 C ATOM 211 OD1 ASP A 24 1.135 -19.894 0.953 1.00 21.23 O ATOM 212 OD2 ASP A 24 -0.435 -21.442 0.922 1.00 22.33 O ATOM 213 H ASP A 24 -1.205 -18.040 -2.702 1.00 0.00 H ATOM 214 N ILE A 25 1.804 -16.783 -0.669 1.00 19.55 N ATOM 215 CA ILE A 25 3.170 -16.339 -0.978 1.00 17.58 C ATOM 216 C ILE A 25 4.178 -17.403 -0.557 1.00 18.56 C ATOM 217 O ILE A 25 5.111 -17.735 -1.302 1.00 18.26 O ATOM 218 CB ILE A 25 3.478 -14.991 -0.287 1.00 24.26 C ATOM 219 CG1 ILE A 25 2.475 -13.913 -0.679 1.00 28.20 C ATOM 220 CG2 ILE A 25 4.906 -14.525 -0.542 1.00 22.37 C ATOM 221 CD1 ILE A 25 2.090 -13.969 -2.047 1.00 32.78 C ATOM 222 H ILE A 25 1.188 -16.172 -0.095 1.00 0.00 H ATOM 223 N GLU A 26 4.047 -17.917 0.669 1.00 17.55 N ATOM 224 CA GLU A 26 5.110 -18.796 1.127 1.00 21.37 C ATOM 225 C GLU A 26 5.146 -20.082 0.317 1.00 18.59 C ATOM 226 O GLU A 26 6.228 -20.613 0.049 1.00 23.37 O ATOM 227 CB GLU A 26 4.962 -19.065 2.629 1.00 28.96 C ATOM 228 CG GLU A 26 5.414 -17.847 3.435 1.00 35.18 C ATOM 229 CD GLU A 26 5.541 -18.111 4.930 1.00 48.74 C ATOM 230 OE1 GLU A 26 5.136 -19.205 5.393 1.00 51.66 O ATOM 231 OE2 GLU A 26 6.049 -17.208 5.634 1.00 52.93 O ATOM 232 H GLU A 26 3.224 -17.699 1.267 1.00 0.00 H ATOM 233 N ALA A 27 3.989 -20.573 -0.121 1.00 18.27 N ATOM 234 CA ALA A 27 3.985 -21.783 -0.947 1.00 17.96 C ATOM 235 C ALA A 27 4.546 -21.502 -2.336 1.00 15.97 C ATOM 236 O ALA A 27 5.245 -22.349 -2.922 1.00 17.54 O ATOM 237 CB ALA A 27 2.573 -22.352 -1.048 1.00 18.90 C ATOM 238 H ALA A 27 3.094 -20.101 0.121 1.00 0.00 H ATOM 239 N ILE A 28 4.270 -20.311 -2.874 1.00 15.55 N ATOM 240 CA ILE A 28 4.884 -19.948 -4.154 1.00 13.80 C ATOM 241 C ILE A 28 6.391 -19.964 -4.020 1.00 14.04 C ATOM 242 O ILE A 28 7.114 -20.571 -4.828 1.00 13.93 O ATOM 243 CB ILE A 28 4.397 -18.562 -4.608 1.00 14.98 C ATOM 244 CG1 ILE A 28 2.905 -18.653 -4.947 1.00 18.20 C ATOM 245 CG2 ILE A 28 5.262 -18.096 -5.820 1.00 15.82 C ATOM 246 CD1 ILE A 28 2.217 -17.321 -5.188 1.00 15.54 C ATOM 247 H ILE A 28 3.628 -19.650 -2.391 1.00 0.00 H ATOM 248 N VAL A 29 6.887 -19.310 -2.967 1.00 15.12 N ATOM 249 CA VAL A 29 8.324 -19.188 -2.775 1.00 16.33 C ATOM 250 C VAL A 29 8.941 -20.564 -2.630 1.00 18.01 C ATOM 251 O VAL A 29 10.052 -20.810 -3.106 1.00 17.35 O ATOM 252 CB VAL A 29 8.613 -18.278 -1.564 1.00 21.03 C ATOM 253 CG1 VAL A 29 10.078 -18.299 -1.185 1.00 26.01 C ATOM 254 CG2 VAL A 29 8.127 -16.827 -1.859 1.00 21.27 C ATOM 255 H VAL A 29 6.238 -18.883 -2.276 1.00 0.00 H ATOM 256 N GLN A 30 8.247 -21.482 -1.955 1.00 18.16 N ATOM 257 CA GLN A 30 8.772 -22.838 -1.820 1.00 18.63 C ATOM 258 C GLN A 30 8.832 -23.567 -3.173 1.00 20.76 C ATOM 259 O GLN A 30 9.625 -24.510 -3.328 1.00 18.27 O ATOM 260 CB GLN A 30 7.910 -23.619 -0.826 1.00 20.47 C ATOM 261 CG GLN A 30 8.180 -23.242 0.616 1.00 47.43 C ATOM 262 CD GLN A 30 7.098 -23.748 1.557 1.00 57.36 C ATOM 263 OE1 GLN A 30 6.269 -24.581 1.179 1.00 60.09 O ATOM 264 NE2 GLN A 30 7.090 -23.233 2.785 1.00 62.17 N ATOM 265 HE22 GLN A 30 7.809 -22.533 3.060 1.00 0.00 H ATOM 266 HE21 GLN A 30 6.365 -23.531 3.469 1.00 0.00 H ATOM 267 H GLN A 30 7.333 -21.232 -1.526 1.00 0.00 H ATOM 268 N MET A 31 7.981 -23.179 -4.139 1.00 17.06 N ATOM 269 CA MET A 31 8.075 -23.761 -5.491 1.00 18.41 C ATOM 270 C MET A 31 9.357 -23.370 -6.224 1.00 13.38 C ATOM 271 O MET A 31 9.771 -24.069 -7.159 1.00 17.49 O ATOM 272 CB MET A 31 6.874 -23.346 -6.343 1.00 17.26 C ATOM 273 CG MET A 31 5.605 -24.085 -5.979 1.00 21.50 C ATOM 274 SD MET A 31 4.343 -24.088 -7.269 1.00 20.83 S ATOM 275 CE MET A 31 4.998 -25.303 -8.450 1.00 21.28 C ATOM 276 H MET A 31 7.253 -22.465 -3.932 1.00 0.00 H ATOM 277 N TYR A 32 9.954 -22.233 -5.883 1.00 13.39 N ATOM 278 CA TYR A 32 11.171 -21.773 -6.523 1.00 15.41 C ATOM 279 C TYR A 32 12.400 -22.431 -5.924 1.00 17.00 C ATOM 280 O TYR A 32 12.446 -22.704 -4.715 1.00 18.92 O ATOM 281 CB TYR A 32 11.295 -20.256 -6.366 1.00 15.51 C ATOM 282 CG TYR A 32 10.477 -19.450 -7.342 1.00 17.00 C ATOM 283 CD1 TYR A 32 10.971 -19.145 -8.616 1.00 14.36 C ATOM 284 CD2 TYR A 32 9.213 -19.006 -7.004 1.00 12.03 C ATOM 285 CE1 TYR A 32 10.243 -18.405 -9.500 1.00 11.03 C ATOM 286 CE2 TYR A 32 8.456 -18.286 -7.908 1.00 11.17 C ATOM 287 CZ TYR A 32 9.003 -17.965 -9.152 1.00 12.60 C ATOM 288 OH TYR A 32 8.278 -17.219 -10.072 1.00 16.07 O ATOM 289 HH TYR A 32 8.056 -16.338 -9.679 1.00 0.00 H ATOM 290 H TYR A 32 9.533 -21.652 -5.130 1.00 0.00 H ATOM 291 N ALA A 33 13.411 -22.678 -6.765 1.00 16.78 N ATOM 292 CA ALA A 33 14.720 -23.053 -6.241 1.00 18.08 C ATOM 293 C ALA A 33 15.296 -21.934 -5.370 1.00 17.19 C ATOM 294 O ALA A 33 14.989 -20.753 -5.552 1.00 17.53 O ATOM 295 CB ALA A 33 15.698 -23.356 -7.372 1.00 18.43 C ATOM 296 H ALA A 33 13.264 -22.603 -7.792 1.00 0.00 H ATOM 297 N ASP A 34 16.184 -22.312 -4.433 1.00 19.09 N ATOM 298 CA ASP A 34 16.632 -21.331 -3.433 1.00 21.56 C ATOM 299 C ASP A 34 17.327 -20.142 -4.085 1.00 29.64 C ATOM 300 O ASP A 34 17.272 -19.024 -3.548 1.00 30.19 O ATOM 301 CB ASP A 34 17.538 -21.992 -2.398 1.00 27.49 C ATOM 302 CG ASP A 34 18.811 -22.546 -3.003 1.00 30.97 C ATOM 303 OD1 ASP A 34 18.770 -23.726 -3.392 1.00 30.94 O ATOM 304 OD2 ASP A 34 19.850 -21.834 -3.062 1.00 29.65 O ATOM 305 H ASP A 34 16.549 -23.286 -4.416 1.00 0.00 H ATOM 306 N ASP A 35 17.930 -20.356 -5.277 1.00 21.91 N ATOM 307 CA ASP A 35 18.722 -19.381 -6.021 1.00 26.40 C ATOM 308 C ASP A 35 18.082 -19.051 -7.373 1.00 23.37 C ATOM 309 O ASP A 35 18.767 -18.658 -8.321 1.00 23.07 O ATOM 310 CB ASP A 35 20.129 -19.922 -6.239 1.00 32.20 C ATOM 311 CG ASP A 35 20.126 -21.222 -7.053 1.00 36.00 C ATOM 312 OD1 ASP A 35 19.046 -21.853 -7.196 1.00 27.45 O ATOM 313 OD2 ASP A 35 21.197 -21.608 -7.555 1.00 39.04 O ATOM 314 H ASP A 35 17.820 -21.299 -5.701 1.00 0.00 H ATOM 315 N ALA A 36 16.765 -19.200 -7.465 1.00 18.99 N ATOM 316 CA ALA A 36 16.035 -18.953 -8.699 1.00 17.58 C ATOM 317 C ALA A 36 16.166 -17.507 -9.165 1.00 20.65 C ATOM 318 O ALA A 36 16.514 -16.595 -8.405 1.00 18.75 O ATOM 319 CB ALA A 36 14.550 -19.259 -8.508 1.00 15.25 C ATOM 320 H ALA A 36 16.236 -19.505 -6.623 1.00 0.00 H ATOM 321 N THR A 37 15.865 -17.309 -10.451 1.00 18.03 N ATOM 322 CA THR A 37 15.829 -15.979 -11.046 1.00 19.12 C ATOM 323 C THR A 37 14.446 -15.678 -11.616 1.00 19.60 C ATOM 324 O THR A 37 13.850 -16.504 -12.322 1.00 20.49 O ATOM 325 CB THR A 37 16.845 -15.853 -12.186 1.00 31.21 C ATOM 326 OG1 THR A 37 18.164 -16.069 -11.669 1.00 35.74 O ATOM 327 CG2 THR A 37 16.755 -14.494 -12.794 1.00 29.92 C ATOM 328 HG1 THR A 37 18.218 -16.975 -11.274 1.00 0.00 H ATOM 329 H THR A 37 15.649 -18.132 -11.049 1.00 0.00 H ATOM 330 N VAL A 38 13.967 -14.465 -11.384 1.00 17.87 N ATOM 331 CA VAL A 38 12.651 -14.048 -11.855 1.00 20.05 C ATOM 332 C VAL A 38 12.817 -12.783 -12.678 1.00 20.58 C ATOM 333 O VAL A 38 13.476 -11.843 -12.232 1.00 20.55 O ATOM 334 CB VAL A 38 11.678 -13.818 -10.691 1.00 19.02 C ATOM 335 CG1 VAL A 38 10.483 -12.981 -11.128 1.00 17.84 C ATOM 336 CG2 VAL A 38 11.257 -15.185 -10.109 1.00 15.49 C ATOM 337 H VAL A 38 14.548 -13.788 -10.849 1.00 0.00 H ATOM 338 N GLU A 39 12.220 -12.769 -13.880 1.00 17.42 N ATOM 339 CA GLU A 39 12.164 -11.586 -14.736 1.00 17.52 C ATOM 340 C GLU A 39 10.703 -11.280 -15.038 1.00 19.86 C ATOM 341 O GLU A 39 10.061 -12.022 -15.773 1.00 17.20 O ATOM 342 CB GLU A 39 12.933 -11.821 -16.046 1.00 17.31 C ATOM 343 CG GLU A 39 14.439 -11.885 -15.850 1.00 20.04 C ATOM 344 CD GLU A 39 15.157 -12.375 -17.092 1.00 29.73 C ATOM 345 OE1 GLU A 39 15.285 -13.612 -17.246 1.00 32.34 O ATOM 346 OE2 GLU A 39 15.592 -11.527 -17.906 1.00 28.14 O ATOM 347 H GLU A 39 11.774 -13.645 -14.220 1.00 0.00 H ATOM 348 N ASP A 40 10.177 -10.192 -14.485 1.00 16.34 N ATOM 349 CA ASP A 40 8.726 -10.016 -14.466 1.00 18.24 C ATOM 350 C ASP A 40 8.433 -8.540 -14.213 1.00 24.98 C ATOM 351 O ASP A 40 8.560 -8.059 -13.056 1.00 21.80 O ATOM 352 CB ASP A 40 8.112 -10.931 -13.380 1.00 18.09 C ATOM 353 CG ASP A 40 6.601 -10.781 -13.228 1.00 18.70 C ATOM 354 OD1 ASP A 40 6.008 -9.860 -13.822 1.00 20.64 O ATOM 355 OD2 ASP A 40 6.008 -11.590 -12.469 1.00 20.94 O ATOM 356 H ASP A 40 10.796 -9.468 -14.067 1.00 0.00 H ATOM 357 N PRO A 41 8.063 -7.805 -15.271 1.00 24.18 N ATOM 358 CA PRO A 41 7.944 -8.293 -16.656 1.00 21.12 C ATOM 359 C PRO A 41 9.311 -8.532 -17.296 1.00 18.84 C ATOM 360 O PRO A 41 10.287 -7.840 -17.004 1.00 19.89 O ATOM 361 CB PRO A 41 7.198 -7.158 -17.365 1.00 20.74 C ATOM 362 CG PRO A 41 7.581 -5.918 -16.604 1.00 22.51 C ATOM 363 CD PRO A 41 7.708 -6.385 -15.152 1.00 21.24 C ATOM 364 N PHE A 42 9.370 -9.512 -18.190 1.00 19.54 N ATOM 365 CA PHE A 42 10.580 -9.718 -18.975 1.00 20.51 C ATOM 366 C PHE A 42 10.995 -8.408 -19.639 1.00 21.85 C ATOM 367 O PHE A 42 10.161 -7.672 -20.172 1.00 22.91 O ATOM 368 CB PHE A 42 10.340 -10.813 -20.027 1.00 21.72 C ATOM 369 CG PHE A 42 11.578 -11.186 -20.782 1.00 20.91 C ATOM 370 CD1 PHE A 42 12.541 -11.992 -20.174 1.00 19.77 C ATOM 371 CD2 PHE A 42 11.790 -10.728 -22.077 1.00 23.06 C ATOM 372 CE1 PHE A 42 13.694 -12.325 -20.834 1.00 22.69 C ATOM 373 CE2 PHE A 42 12.954 -11.065 -22.756 1.00 25.20 C ATOM 374 CZ PHE A 42 13.903 -11.880 -22.130 1.00 24.03 C ATOM 375 H PHE A 42 8.549 -10.135 -18.330 1.00 0.00 H ATOM 376 N GLY A 43 12.299 -8.117 -19.597 1.00 21.90 N ATOM 377 CA GLY A 43 12.838 -6.818 -19.929 1.00 23.98 C ATOM 378 C GLY A 43 13.345 -6.048 -18.720 1.00 24.76 C ATOM 379 O GLY A 43 14.196 -5.160 -18.870 1.00 26.93 O ATOM 380 H GLY A 43 12.961 -8.866 -19.310 1.00 0.00 H ATOM 381 N GLN A 44 12.843 -6.339 -17.559 1.00 26.36 N ATOM 382 CA GLN A 44 13.314 -5.667 -16.357 1.00 28.26 C ATOM 383 C GLN A 44 14.441 -6.464 -15.726 1.00 27.17 C ATOM 384 O GLN A 44 14.608 -7.656 -16.005 1.00 25.47 O ATOM 385 CB GLN A 44 12.173 -5.509 -15.350 1.00 27.63 C ATOM 386 CG GLN A 44 11.069 -4.536 -15.767 1.00 34.08 C ATOM 387 CD GLN A 44 11.495 -3.072 -15.688 1.00 42.51 C ATOM 388 OE1 GLN A 44 11.407 -2.336 -16.670 1.00 47.18 O ATOM 389 NE2 GLN A 44 11.943 -2.644 -14.512 1.00 45.71 N ATOM 390 HE22 GLN A 44 12.001 -3.300 -13.707 1.00 0.00 H ATOM 391 HE21 GLN A 44 12.235 -1.653 -14.396 1.00 0.00 H ATOM 392 H GLN A 44 12.097 -7.060 -17.487 1.00 0.00 H ATOM 393 N PRO A 45 15.214 -5.839 -14.845 1.00 28.70 N ATOM 394 CA PRO A 45 16.341 -6.524 -14.236 1.00 30.31 C ATOM 395 C PRO A 45 15.883 -7.779 -13.527 1.00 26.77 C ATOM 396 O PRO A 45 14.830 -7.785 -12.864 1.00 23.47 O ATOM 397 CB PRO A 45 16.890 -5.484 -13.242 1.00 34.70 C ATOM 398 CG PRO A 45 16.501 -4.157 -13.867 1.00 36.77 C ATOM 399 CD PRO A 45 15.150 -4.415 -14.471 1.00 32.71 C ATOM 400 N PRO A 46 16.638 -8.871 -13.643 1.00 26.40 N ATOM 401 CA PRO A 46 16.274 -10.093 -12.920 1.00 22.33 C ATOM 402 C PRO A 46 16.355 -9.877 -11.418 1.00 22.84 C ATOM 403 O PRO A 46 17.145 -9.074 -10.918 1.00 27.13 O ATOM 404 CB PRO A 46 17.323 -11.113 -13.373 1.00 25.02 C ATOM 405 CG PRO A 46 17.954 -10.519 -14.592 1.00 31.80 C ATOM 406 CD PRO A 46 17.881 -9.027 -14.419 1.00 30.35 C ATOM 407 N ILE A 47 15.551 -10.621 -10.697 1.00 22.43 N ATOM 408 CA ILE A 47 15.747 -10.671 -9.260 1.00 24.55 C ATOM 409 C ILE A 47 16.115 -12.096 -8.891 1.00 22.30 C ATOM 410 O ILE A 47 15.693 -13.057 -9.545 1.00 23.95 O ATOM 411 CB ILE A 47 14.521 -10.168 -8.500 1.00 25.90 C ATOM 412 CG1 ILE A 47 13.316 -10.979 -8.858 1.00 19.33 C ATOM 413 CG2 ILE A 47 14.289 -8.682 -8.774 1.00 32.78 C ATOM 414 CD1 ILE A 47 12.298 -10.952 -7.724 1.00 29.15 C ATOM 415 H ILE A 47 14.787 -11.165 -11.147 1.00 0.00 H ATOM 416 N HIS A 48 16.948 -12.223 -7.852 1.00 22.52 N ATOM 417 CA HIS A 48 17.709 -13.436 -7.578 1.00 23.21 C ATOM 418 C HIS A 48 17.432 -13.905 -6.161 1.00 24.84 C ATOM 419 O HIS A 48 17.709 -13.161 -5.207 1.00 24.62 O ATOM 420 CB HIS A 48 19.219 -13.186 -7.698 1.00 31.31 C ATOM 421 CG HIS A 48 19.678 -12.879 -9.084 1.00 38.49 C ATOM 422 ND1 HIS A 48 20.119 -13.856 -9.949 1.00 40.83 N ATOM 423 CD2 HIS A 48 19.754 -11.707 -9.763 1.00 42.16 C ATOM 424 CE1 HIS A 48 20.442 -13.299 -11.107 1.00 42.17 C ATOM 425 NE2 HIS A 48 20.231 -11.997 -11.019 1.00 37.42 N ATOM 426 H HIS A 48 17.058 -11.415 -7.207 1.00 0.00 H ATOM 427 N GLY A 49 16.998 -15.147 -6.024 1.00 21.13 N ATOM 428 CA GLY A 49 17.009 -15.735 -4.694 1.00 21.54 C ATOM 429 C GLY A 49 15.671 -15.623 -3.989 1.00 22.74 C ATOM 430 O GLY A 49 14.881 -14.707 -4.226 1.00 19.68 O ATOM 431 H GLY A 49 16.658 -15.688 -6.845 1.00 0.00 H ATOM 432 N ARG A 50 15.429 -16.554 -3.069 1.00 19.44 N ATOM 433 CA ARG A 50 14.110 -16.653 -2.464 1.00 16.11 C ATOM 434 C ARG A 50 13.745 -15.425 -1.640 1.00 16.11 C ATOM 435 O ARG A 50 12.575 -15.053 -1.612 1.00 21.94 O ATOM 436 CB ARG A 50 14.040 -17.906 -1.608 1.00 15.98 C ATOM 437 CG ARG A 50 13.595 -19.113 -2.423 1.00 17.97 C ATOM 438 CD ARG A 50 13.604 -20.301 -1.491 1.00 20.02 C ATOM 439 NE ARG A 50 13.112 -21.519 -2.130 1.00 21.90 N ATOM 440 CZ ARG A 50 13.200 -22.714 -1.542 1.00 22.82 C ATOM 441 NH1 ARG A 50 13.776 -22.805 -0.350 1.00 28.04 N ATOM 442 NH2 ARG A 50 12.751 -23.809 -2.147 1.00 23.55 N ATOM 443 HE ARG A 50 12.679 -21.453 -3.073 1.00 0.00 H ATOM 444 HH12 ARG A 50 13.852 -23.729 0.121 1.00 0.00 H ATOM 445 HH11 ARG A 50 14.151 -21.952 0.113 1.00 0.00 H ATOM 446 HH22 ARG A 50 12.827 -24.732 -1.675 1.00 0.00 H ATOM 447 HH21 ARG A 50 12.323 -23.742 -3.093 1.00 0.00 H ATOM 448 H ARG A 50 16.183 -17.211 -2.783 1.00 0.00 H ATOM 449 N GLU A 51 14.701 -14.769 -0.980 1.00 18.06 N ATOM 450 CA GLU A 51 14.346 -13.591 -0.179 1.00 19.33 C ATOM 451 C GLU A 51 13.764 -12.500 -1.076 1.00 22.77 C ATOM 452 O GLU A 51 12.702 -11.928 -0.778 1.00 22.48 O ATOM 453 CB GLU A 51 15.560 -13.059 0.574 1.00 22.58 C ATOM 454 CG GLU A 51 15.210 -11.892 1.518 1.00 25.51 C ATOM 455 CD GLU A 51 16.422 -11.062 1.937 1.00 39.46 C ATOM 456 OE1 GLU A 51 17.471 -11.180 1.280 1.00 35.67 O ATOM 457 OE2 GLU A 51 16.328 -10.292 2.929 1.00 45.07 O ATOM 458 H GLU A 51 15.689 -15.089 -1.032 1.00 0.00 H ATOM 459 N GLN A 52 14.455 -12.213 -2.201 1.00 18.45 N ATOM 460 CA GLN A 52 14.011 -11.178 -3.144 1.00 19.34 C ATOM 461 C GLN A 52 12.742 -11.597 -3.854 1.00 15.74 C ATOM 462 O GLN A 52 11.836 -10.778 -4.070 1.00 17.75 O ATOM 463 CB GLN A 52 15.099 -10.867 -4.185 1.00 26.65 C ATOM 464 CG GLN A 52 16.352 -10.154 -3.644 1.00 38.33 C ATOM 465 CD GLN A 52 17.426 -9.879 -4.727 1.00 48.97 C ATOM 466 OE1 GLN A 52 17.125 -9.715 -5.926 1.00 47.05 O ATOM 467 NE2 GLN A 52 18.689 -9.826 -4.292 1.00 53.42 N ATOM 468 HE22 GLN A 52 18.898 -9.968 -3.283 1.00 0.00 H ATOM 469 HE21 GLN A 52 19.463 -9.642 -4.962 1.00 0.00 H ATOM 470 H GLN A 52 15.328 -12.741 -2.405 1.00 0.00 H ATOM 471 N ILE A 53 12.619 -12.890 -4.149 1.00 15.72 N ATOM 472 CA ILE A 53 11.414 -13.368 -4.807 1.00 16.94 C ATOM 473 C ILE A 53 10.213 -13.264 -3.885 1.00 15.62 C ATOM 474 O ILE A 53 9.123 -12.864 -4.328 1.00 15.30 O ATOM 475 CB ILE A 53 11.615 -14.799 -5.326 1.00 19.92 C ATOM 476 CG1 ILE A 53 12.581 -14.774 -6.514 1.00 16.74 C ATOM 477 CG2 ILE A 53 10.292 -15.366 -5.755 1.00 18.74 C ATOM 478 CD1 ILE A 53 13.105 -16.148 -6.955 1.00 18.14 C ATOM 479 H ILE A 53 13.382 -13.555 -3.910 1.00 0.00 H ATOM 480 N ALA A 54 10.377 -13.651 -2.602 1.00 17.77 N ATOM 481 CA ALA A 54 9.319 -13.483 -1.613 1.00 16.52 C ATOM 482 C ALA A 54 8.895 -12.031 -1.548 1.00 17.30 C ATOM 483 O ALA A 54 7.701 -11.728 -1.540 1.00 19.46 O ATOM 484 CB ALA A 54 9.766 -13.980 -0.216 1.00 21.13 C ATOM 485 H ALA A 54 11.279 -14.079 -2.312 1.00 0.00 H ATOM 486 N ALA A 55 9.860 -11.109 -1.490 1.00 18.08 N ATOM 487 CA ALA A 55 9.468 -9.704 -1.379 1.00 19.86 C ATOM 488 C ALA A 55 8.655 -9.280 -2.598 1.00 19.06 C ATOM 489 O ALA A 55 7.672 -8.532 -2.486 1.00 20.45 O ATOM 490 CB ALA A 55 10.700 -8.820 -1.218 1.00 25.75 C ATOM 491 H ALA A 55 10.863 -11.383 -1.523 1.00 0.00 H ATOM 492 N PHE A 56 9.049 -9.767 -3.761 1.00 18.92 N ATOM 493 CA PHE A 56 8.361 -9.406 -5.007 1.00 19.48 C ATOM 494 C PHE A 56 6.908 -9.887 -5.007 1.00 15.38 C ATOM 495 O PHE A 56 5.972 -9.113 -5.303 1.00 17.45 O ATOM 496 CB PHE A 56 9.128 -10.018 -6.170 1.00 17.76 C ATOM 497 CG PHE A 56 8.474 -9.799 -7.497 1.00 16.04 C ATOM 498 CD1 PHE A 56 8.470 -8.547 -8.059 1.00 20.31 C ATOM 499 CD2 PHE A 56 7.869 -10.847 -8.170 1.00 14.59 C ATOM 500 CE1 PHE A 56 7.865 -8.306 -9.317 1.00 21.01 C ATOM 501 CE2 PHE A 56 7.271 -10.610 -9.443 1.00 16.70 C ATOM 502 CZ PHE A 56 7.273 -9.349 -9.987 1.00 18.98 C ATOM 503 H PHE A 56 9.860 -10.417 -3.795 1.00 0.00 H ATOM 504 N TYR A 57 6.695 -11.164 -4.653 1.00 17.55 N ATOM 505 CA TYR A 57 5.340 -11.694 -4.603 1.00 15.98 C ATOM 506 C TYR A 57 4.527 -11.071 -3.471 1.00 19.40 C ATOM 507 O TYR A 57 3.320 -10.864 -3.629 1.00 20.51 O ATOM 508 CB TYR A 57 5.377 -13.229 -4.502 1.00 18.41 C ATOM 509 CG TYR A 57 5.634 -13.923 -5.818 1.00 16.12 C ATOM 510 CD1 TYR A 57 4.586 -14.139 -6.710 1.00 15.86 C ATOM 511 CD2 TYR A 57 6.913 -14.312 -6.209 1.00 16.04 C ATOM 512 CE1 TYR A 57 4.779 -14.765 -7.966 1.00 15.44 C ATOM 513 CE2 TYR A 57 7.131 -14.968 -7.510 1.00 14.75 C ATOM 514 CZ TYR A 57 6.038 -15.161 -8.361 1.00 15.02 C ATOM 515 OH TYR A 57 6.174 -15.773 -9.600 1.00 15.41 O ATOM 516 HH TYR A 57 5.291 -15.814 -10.045 1.00 0.00 H ATOM 517 H TYR A 57 7.500 -11.777 -4.414 1.00 0.00 H ATOM 518 N ARG A 58 5.142 -10.773 -2.317 1.00 19.37 N ATOM 519 CA ARG A 58 4.406 -10.061 -1.275 1.00 24.27 C ATOM 520 C ARG A 58 3.910 -8.700 -1.780 1.00 27.44 C ATOM 521 O ARG A 58 2.748 -8.328 -1.554 1.00 28.26 O ATOM 522 CB ARG A 58 5.296 -9.931 -0.035 1.00 25.23 C ATOM 523 CG ARG A 58 4.551 -9.636 1.275 1.00 38.15 C ATOM 524 CD ARG A 58 5.379 -10.030 2.517 1.00 42.78 C ATOM 525 NE ARG A 58 5.540 -11.480 2.715 1.00 41.59 N ATOM 526 CZ ARG A 58 6.697 -12.143 2.574 1.00 44.39 C ATOM 527 NH1 ARG A 58 7.818 -11.495 2.227 1.00 43.25 N ATOM 528 NH2 ARG A 58 6.738 -13.463 2.774 1.00 41.78 N ATOM 529 HE ARG A 58 4.698 -12.028 2.983 1.00 0.00 H ATOM 530 HH12 ARG A 58 8.710 -12.019 2.120 1.00 0.00 H ATOM 531 HH11 ARG A 58 7.796 -10.468 2.064 1.00 0.00 H ATOM 532 HH22 ARG A 58 7.635 -13.978 2.665 1.00 0.00 H ATOM 533 HH21 ARG A 58 5.873 -13.976 3.039 1.00 0.00 H ATOM 534 H ARG A 58 6.134 -11.046 -2.165 1.00 0.00 H ATOM 535 N GLN A 59 4.764 -7.943 -2.475 1.00 25.29 N ATOM 536 CA GLN A 59 4.319 -6.644 -3.001 1.00 27.40 C ATOM 537 C GLN A 59 3.218 -6.812 -4.048 1.00 27.28 C ATOM 538 O GLN A 59 2.287 -5.993 -4.124 1.00 28.29 O ATOM 539 CB GLN A 59 5.486 -5.879 -3.629 1.00 32.53 C ATOM 540 CG GLN A 59 6.585 -5.371 -2.699 1.00 42.98 C ATOM 541 CD GLN A 59 7.772 -4.807 -3.493 1.00 53.98 C ATOM 542 OE1 GLN A 59 8.216 -5.400 -4.496 1.00 53.18 O ATOM 543 NE2 GLN A 59 8.274 -3.649 -3.065 1.00 60.66 N ATOM 544 HE22 GLN A 59 7.873 -3.188 -2.223 1.00 0.00 H ATOM 545 HE21 GLN A 59 9.066 -3.206 -3.573 1.00 0.00 H ATOM 546 H GLN A 59 5.737 -8.270 -2.643 1.00 0.00 H ATOM 547 N GLY A 60 3.316 -7.857 -4.869 1.00 22.57 N ATOM 548 CA GLY A 60 2.382 -8.053 -5.965 1.00 28.45 C ATOM 549 C GLY A 60 1.033 -8.586 -5.532 1.00 27.91 C ATOM 550 O GLY A 60 0.011 -8.155 -6.062 1.00 34.16 O ATOM 551 H GLY A 60 4.079 -8.549 -4.722 1.00 0.00 H ATOM 552 N LEU A 61 1.015 -9.521 -4.563 1.00 23.11 N ATOM 553 CA LEU A 61 -0.196 -10.230 -4.173 1.00 25.48 C ATOM 554 C LEU A 61 -0.699 -9.861 -2.786 1.00 30.50 C ATOM 555 O LEU A 61 -1.856 -10.157 -2.463 1.00 35.23 O ATOM 556 CB LEU A 61 0.043 -11.749 -4.217 1.00 25.21 C ATOM 557 CG LEU A 61 0.510 -12.333 -5.553 1.00 27.17 C ATOM 558 CD1 LEU A 61 0.830 -13.820 -5.404 1.00 23.64 C ATOM 559 CD2 LEU A 61 -0.487 -12.079 -6.699 1.00 27.33 C ATOM 560 H LEU A 61 1.904 -9.746 -4.072 1.00 0.00 H ATOM 561 N GLY A 62 0.129 -9.218 -1.962 1.00 36.02 N ATOM 562 CA GLY A 62 -0.234 -9.022 -0.566 1.00 40.79 C ATOM 563 C GLY A 62 -1.307 -7.980 -0.330 1.00 45.81 C ATOM 564 O GLY A 62 -1.854 -7.906 0.775 1.00 46.30 O ATOM 565 H GLY A 62 1.037 -8.856 -2.318 1.00 0.00 H ATOM 566 N GLY A 63 -1.622 -7.170 -1.329 1.00 51.70 N ATOM 567 CA GLY A 63 -2.553 -6.083 -1.082 1.00 62.66 C ATOM 568 C GLY A 63 -3.718 -6.026 -2.043 1.00 67.21 C ATOM 569 O GLY A 63 -3.544 -5.665 -3.212 1.00 74.61 O ATOM 570 H GLY A 63 -1.210 -7.310 -2.274 1.00 0.00 H ATOM 571 N GLY A 64 -4.916 -6.363 -1.574 1.00 64.27 N ATOM 572 CA GLY A 64 -6.063 -6.335 -2.466 1.00 62.37 C ATOM 573 C GLY A 64 -6.132 -7.573 -3.336 1.00 55.84 C ATOM 574 O GLY A 64 -5.104 -8.094 -3.772 1.00 49.08 O ATOM 575 H GLY A 64 -5.031 -6.644 -0.579 1.00 0.00 H ATOM 576 N LYS A 65 -7.342 -8.048 -3.606 1.00 57.88 N ATOM 577 CA LYS A 65 -7.497 -9.398 -4.112 1.00 52.93 C ATOM 578 C LYS A 65 -6.978 -9.504 -5.539 1.00 50.10 C ATOM 579 O LYS A 65 -7.308 -8.683 -6.404 1.00 52.79 O ATOM 580 CB LYS A 65 -8.956 -9.834 -4.044 1.00 56.61 C ATOM 581 CG LYS A 65 -9.160 -11.287 -4.457 1.00 56.96 C ATOM 582 CD LYS A 65 -8.077 -12.184 -3.854 1.00 56.62 C ATOM 583 CE LYS A 65 -8.186 -13.621 -4.360 1.00 56.89 C ATOM 584 NZ LYS A 65 -7.195 -14.521 -3.701 1.00 54.49 N ATOM 585 HZ1 LYS A 65 -6.233 -14.178 -3.898 1.00 0.00 H ATOM 586 HZ2 LYS A 65 -7.360 -14.524 -2.674 1.00 0.00 H ATOM 587 HZ3 LYS A 65 -7.304 -15.486 -4.073 1.00 0.00 H ATOM 588 H LYS A 65 -8.180 -7.451 -3.454 1.00 0.00 H ATOM 589 N VAL A 66 -6.157 -10.522 -5.769 1.00 39.81 N ATOM 590 CA VAL A 66 -5.693 -10.904 -7.097 1.00 35.77 C ATOM 591 C VAL A 66 -6.250 -12.290 -7.377 1.00 36.54 C ATOM 592 O VAL A 66 -6.221 -13.162 -6.504 1.00 38.34 O ATOM 593 CB VAL A 66 -4.155 -10.888 -7.178 1.00 31.40 C ATOM 594 CG1 VAL A 66 -3.661 -11.369 -8.524 1.00 36.79 C ATOM 595 CG2 VAL A 66 -3.630 -9.486 -6.876 1.00 34.05 C ATOM 596 H VAL A 66 -5.826 -11.079 -4.955 1.00 0.00 H ATOM 597 N ARG A 67 -6.815 -12.475 -8.568 1.00 34.86 N ATOM 598 CA ARG A 67 -7.199 -13.795 -9.032 1.00 33.72 C ATOM 599 C ARG A 67 -6.373 -14.101 -10.269 1.00 33.33 C ATOM 600 O ARG A 67 -5.943 -13.186 -10.973 1.00 28.61 O ATOM 601 CB ARG A 67 -8.692 -13.875 -9.354 1.00 37.91 C ATOM 602 CG ARG A 67 -9.566 -13.855 -8.106 1.00 57.10 C ATOM 603 CD ARG A 67 -11.018 -14.031 -8.484 1.00 64.32 C ATOM 604 NE ARG A 67 -11.404 -13.073 -9.516 1.00 66.78 N ATOM 605 CZ ARG A 67 -12.058 -11.938 -9.282 1.00 70.52 C ATOM 606 NH1 ARG A 67 -12.424 -11.614 -8.040 1.00 71.90 N ATOM 607 NH2 ARG A 67 -12.354 -11.130 -10.296 1.00 71.72 N ATOM 608 HE ARG A 67 -11.151 -13.293 -10.501 1.00 0.00 H ATOM 609 HH12 ARG A 67 -12.935 -10.726 -7.864 1.00 0.00 H ATOM 610 HH11 ARG A 67 -12.198 -12.250 -7.249 1.00 0.00 H ATOM 611 HH22 ARG A 67 -12.865 -10.241 -10.121 1.00 0.00 H ATOM 612 HH21 ARG A 67 -12.075 -11.387 -11.264 1.00 0.00 H ATOM 613 H ARG A 67 -6.985 -11.653 -9.181 1.00 0.00 H ATOM 614 N ALA A 68 -6.118 -15.385 -10.498 1.00 26.99 N ATOM 615 CA ALA A 68 -5.345 -15.810 -11.655 1.00 23.30 C ATOM 616 C ALA A 68 -5.926 -17.099 -12.197 1.00 23.01 C ATOM 617 O ALA A 68 -6.371 -17.949 -11.425 1.00 24.48 O ATOM 618 CB ALA A 68 -3.885 -16.017 -11.284 1.00 20.17 C ATOM 619 H ALA A 68 -6.479 -16.101 -9.836 1.00 0.00 H ATOM 620 N CYS A 69 -5.929 -17.256 -13.524 1.00 23.01 N ATOM 621 CA CYS A 69 -6.355 -18.548 -14.059 1.00 23.73 C ATOM 622 C CYS A 69 -5.752 -18.792 -15.432 1.00 21.46 C ATOM 623 O CYS A 69 -5.578 -17.858 -16.221 1.00 20.27 O ATOM 624 CB CYS A 69 -7.876 -18.656 -14.168 1.00 24.82 C ATOM 625 SG CYS A 69 -8.631 -17.422 -15.223 1.00 41.89 S ATOM 626 H CYS A 69 -5.637 -16.483 -14.156 1.00 0.00 H ATOM 627 N LEU A 70 -5.408 -20.052 -15.685 1.00 22.83 N ATOM 628 CA LEU A 70 -4.994 -20.441 -17.031 1.00 19.74 C ATOM 629 C LEU A 70 -6.074 -20.090 -18.037 1.00 22.27 C ATOM 630 O LEU A 70 -7.266 -20.280 -17.788 1.00 22.43 O ATOM 631 CB LEU A 70 -4.731 -21.941 -17.088 1.00 18.40 C ATOM 632 CG LEU A 70 -3.539 -22.407 -16.290 1.00 19.44 C ATOM 633 CD1 LEU A 70 -3.550 -23.931 -16.219 1.00 22.19 C ATOM 634 CD2 LEU A 70 -2.285 -21.878 -16.944 1.00 18.17 C ATOM 635 H LEU A 70 -5.434 -20.761 -14.924 1.00 0.00 H ATOM 636 N THR A 71 -5.645 -19.602 -19.204 1.00 16.49 N ATOM 637 CA THR A 71 -6.528 -19.337 -20.326 1.00 18.64 C ATOM 638 C THR A 71 -6.321 -20.342 -21.443 1.00 20.57 C ATOM 639 O THR A 71 -6.951 -20.216 -22.489 1.00 24.41 O ATOM 640 CB THR A 71 -6.309 -17.927 -20.879 1.00 17.57 C ATOM 641 OG1 THR A 71 -4.917 -17.718 -21.118 1.00 18.89 O ATOM 642 CG2 THR A 71 -6.833 -16.856 -19.926 1.00 24.73 C ATOM 643 HG1 THR A 71 -4.778 -16.805 -21.476 1.00 0.00 H ATOM 644 H THR A 71 -4.630 -19.402 -19.314 1.00 0.00 H ATOM 645 N GLY A 72 -5.425 -21.306 -21.246 1.00 16.41 N ATOM 646 CA GLY A 72 -5.184 -22.394 -22.169 1.00 18.26 C ATOM 647 C GLY A 72 -4.223 -23.364 -21.505 1.00 24.22 C ATOM 648 O GLY A 72 -3.687 -23.096 -20.426 1.00 20.23 O ATOM 649 H GLY A 72 -4.862 -21.275 -20.372 1.00 0.00 H ATOM 650 N PRO A 73 -3.965 -24.492 -22.153 1.00 20.97 N ATOM 651 CA PRO A 73 -3.097 -25.513 -21.552 1.00 17.33 C ATOM 652 C PRO A 73 -1.657 -25.055 -21.363 1.00 16.50 C ATOM 653 O PRO A 73 -1.133 -24.182 -22.065 1.00 17.44 O ATOM 654 CB PRO A 73 -3.180 -26.685 -22.556 1.00 20.96 C ATOM 655 CG PRO A 73 -3.624 -26.057 -23.843 1.00 29.20 C ATOM 656 CD PRO A 73 -4.460 -24.868 -23.497 1.00 21.00 C ATOM 657 N VAL A 74 -1.000 -25.664 -20.384 1.00 15.44 N ATOM 658 CA VAL A 74 0.439 -25.538 -20.262 1.00 16.00 C ATOM 659 C VAL A 74 1.109 -26.262 -21.433 1.00 17.38 C ATOM 660 O VAL A 74 0.795 -27.425 -21.737 1.00 17.86 O ATOM 661 CB VAL A 74 0.898 -26.106 -18.911 1.00 14.79 C ATOM 662 CG1 VAL A 74 2.422 -26.013 -18.773 1.00 15.36 C ATOM 663 CG2 VAL A 74 0.233 -25.324 -17.754 1.00 18.27 C ATOM 664 H VAL A 74 -1.525 -26.240 -19.695 1.00 0.00 H ATOM 665 N ARG A 75 2.040 -25.576 -22.099 1.00 15.00 N ATOM 666 CA ARG A 75 2.870 -26.193 -23.125 1.00 15.32 C ATOM 667 C ARG A 75 4.146 -26.664 -22.441 1.00 15.63 C ATOM 668 O ARG A 75 4.822 -25.860 -21.816 1.00 20.28 O ATOM 669 CB ARG A 75 3.193 -25.179 -24.244 1.00 13.90 C ATOM 670 CG ARG A 75 2.077 -24.998 -25.285 1.00 15.57 C ATOM 671 CD ARG A 75 0.796 -24.343 -24.749 1.00 14.56 C ATOM 672 NE ARG A 75 0.037 -23.775 -25.884 1.00 16.66 N ATOM 673 CZ ARG A 75 -1.114 -23.124 -25.764 1.00 18.06 C ATOM 674 NH1 ARG A 75 -1.663 -22.962 -24.553 1.00 19.71 N ATOM 675 NH2 ARG A 75 -1.731 -22.666 -26.837 1.00 15.52 N ATOM 676 HE ARG A 75 0.431 -23.893 -26.839 1.00 0.00 H ATOM 677 HH12 ARG A 75 -2.564 -22.453 -24.455 1.00 0.00 H ATOM 678 HH11 ARG A 75 -1.188 -23.345 -23.711 1.00 0.00 H ATOM 679 HH22 ARG A 75 -2.632 -22.156 -26.741 1.00 0.00 H ATOM 680 HH21 ARG A 75 -1.316 -22.815 -27.779 1.00 0.00 H ATOM 681 H ARG A 75 2.177 -24.569 -21.879 1.00 0.00 H ATOM 682 N ALA A 76 4.491 -27.954 -22.558 1.00 16.67 N ATOM 683 CA ALA A 76 5.656 -28.479 -21.853 1.00 17.26 C ATOM 684 C ALA A 76 6.690 -29.057 -22.801 1.00 23.25 C ATOM 685 O ALA A 76 6.351 -29.663 -23.828 1.00 28.62 O ATOM 686 CB ALA A 76 5.260 -29.580 -20.839 1.00 22.88 C ATOM 687 H ALA A 76 3.923 -28.587 -23.157 1.00 0.00 H ATOM 688 N SER A 77 7.955 -28.884 -22.437 1.00 19.58 N ATOM 689 CA SER A 77 9.067 -29.467 -23.176 1.00 18.59 C ATOM 690 C SER A 77 9.519 -30.765 -22.515 1.00 26.38 C ATOM 691 O SER A 77 9.012 -31.191 -21.468 1.00 26.25 O ATOM 692 CB SER A 77 10.247 -28.503 -23.204 1.00 24.36 C ATOM 693 OG SER A 77 10.932 -28.611 -21.940 1.00 32.03 O ATOM 694 HG SER A 77 11.706 -27.993 -21.931 1.00 0.00 H ATOM 695 H SER A 77 8.160 -28.311 -21.593 1.00 0.00 H ATOM 696 N HIS A 78 10.537 -31.370 -23.105 1.00 24.59 N ATOM 697 CA HIS A 78 11.148 -32.559 -22.536 1.00 26.71 C ATOM 698 C HIS A 78 12.410 -32.253 -21.753 1.00 26.58 C ATOM 699 O HIS A 78 13.063 -33.181 -21.282 1.00 29.02 O ATOM 700 CB HIS A 78 11.458 -33.580 -23.638 1.00 28.82 C ATOM 701 CG HIS A 78 10.236 -34.256 -24.175 1.00 30.92 C ATOM 702 ND1 HIS A 78 9.284 -34.816 -23.354 1.00 32.76 N ATOM 703 CD2 HIS A 78 9.798 -34.442 -25.440 1.00 31.86 C ATOM 704 CE1 HIS A 78 8.307 -35.316 -24.086 1.00 31.63 C ATOM 705 NE2 HIS A 78 8.598 -35.109 -25.357 1.00 31.30 N ATOM 706 H HIS A 78 10.909 -30.985 -23.997 1.00 0.00 H ATOM 707 N ASN A 79 12.785 -30.982 -21.609 1.00 22.03 N ATOM 708 CA ASN A 79 13.982 -30.663 -20.841 1.00 26.54 C ATOM 709 C ASN A 79 13.635 -29.827 -19.615 1.00 25.14 C ATOM 710 O ASN A 79 14.417 -28.979 -19.191 1.00 23.86 O ATOM 711 CB ASN A 79 15.030 -29.957 -21.697 1.00 31.94 C ATOM 712 CG ASN A 79 14.578 -28.598 -22.160 1.00 30.36 C ATOM 713 OD1 ASN A 79 13.392 -28.280 -22.116 1.00 26.92 O ATOM 714 ND2 ASN A 79 15.527 -27.775 -22.594 1.00 36.58 N ATOM 715 HD22 ASN A 79 16.518 -28.089 -22.613 1.00 0.00 H ATOM 716 HD21 ASN A 79 15.278 -26.817 -22.915 1.00 0.00 H ATOM 717 H ASN A 79 12.225 -30.221 -22.043 1.00 0.00 H ATOM 718 N GLY A 80 12.458 -30.058 -19.046 1.00 21.25 N ATOM 719 CA GLY A 80 12.136 -29.476 -17.762 1.00 21.27 C ATOM 720 C GLY A 80 11.613 -28.059 -17.838 1.00 23.52 C ATOM 721 O GLY A 80 11.628 -27.345 -16.825 1.00 22.34 O ATOM 722 H GLY A 80 11.762 -30.662 -19.528 1.00 0.00 H ATOM 723 N CYS A 81 11.141 -27.635 -19.009 1.00 22.17 N ATOM 724 CA CYS A 81 10.678 -26.279 -19.245 1.00 20.01 C ATOM 725 C CYS A 81 9.227 -26.286 -19.699 1.00 21.24 C ATOM 726 O CYS A 81 8.710 -27.289 -20.201 1.00 24.46 O ATOM 727 CB CYS A 81 11.556 -25.591 -20.295 1.00 20.66 C ATOM 728 SG CYS A 81 13.242 -25.446 -19.720 1.00 23.16 S ATOM 729 H CYS A 81 11.102 -28.312 -19.797 1.00 0.00 H ATOM 730 N GLY A 82 8.550 -25.144 -19.541 1.00 15.03 N ATOM 731 CA GLY A 82 7.200 -25.053 -20.081 1.00 14.80 C ATOM 732 C GLY A 82 6.802 -23.592 -20.187 1.00 15.24 C ATOM 733 O GLY A 82 7.527 -22.700 -19.741 1.00 15.33 O ATOM 734 H GLY A 82 8.978 -24.338 -19.043 1.00 0.00 H ATOM 735 N ALA A 83 5.631 -23.357 -20.769 1.00 12.92 N ATOM 736 CA ALA A 83 5.141 -21.997 -20.978 1.00 15.04 C ATOM 737 C ALA A 83 3.634 -22.069 -20.881 1.00 14.78 C ATOM 738 O ALA A 83 3.031 -23.061 -21.289 1.00 19.09 O ATOM 739 CB ALA A 83 5.598 -21.413 -22.344 1.00 15.92 C ATOM 740 H ALA A 83 5.050 -24.160 -21.083 1.00 0.00 H ATOM 741 N MET A 84 3.016 -21.026 -20.332 1.00 12.70 N ATOM 742 CA MET A 84 1.569 -21.098 -20.138 1.00 13.31 C ATOM 743 C MET A 84 0.920 -19.735 -20.278 1.00 14.99 C ATOM 744 O MET A 84 1.502 -18.728 -19.835 1.00 15.90 O ATOM 745 CB MET A 84 1.214 -21.670 -18.758 1.00 12.30 C ATOM 746 CG MET A 84 1.754 -20.785 -17.599 1.00 12.35 C ATOM 747 SD MET A 84 1.436 -21.575 -15.958 1.00 15.53 S ATOM 748 CE MET A 84 2.615 -20.717 -14.942 1.00 13.51 C ATOM 749 H MET A 84 3.550 -20.180 -20.048 1.00 0.00 H ATOM 750 N PRO A 85 -0.288 -19.677 -20.859 1.00 15.71 N ATOM 751 CA PRO A 85 -0.992 -18.406 -20.965 1.00 17.43 C ATOM 752 C PRO A 85 -1.973 -18.276 -19.809 1.00 17.47 C ATOM 753 O PRO A 85 -2.655 -19.247 -19.461 1.00 17.58 O ATOM 754 CB PRO A 85 -1.718 -18.544 -22.307 1.00 19.86 C ATOM 755 CG PRO A 85 -2.154 -20.018 -22.282 1.00 18.15 C ATOM 756 CD PRO A 85 -1.048 -20.760 -21.527 1.00 15.93 C ATOM 757 N PHE A 86 -2.086 -17.099 -19.217 1.00 18.25 N ATOM 758 CA PHE A 86 -3.064 -16.950 -18.167 1.00 18.56 C ATOM 759 C PHE A 86 -3.479 -15.495 -18.089 1.00 22.05 C ATOM 760 O PHE A 86 -2.962 -14.630 -18.799 1.00 21.28 O ATOM 761 CB PHE A 86 -2.521 -17.478 -16.829 1.00 17.04 C ATOM 762 CG PHE A 86 -1.302 -16.731 -16.301 1.00 19.03 C ATOM 763 CD1 PHE A 86 -0.048 -16.986 -16.830 1.00 17.64 C ATOM 764 CD2 PHE A 86 -1.415 -15.824 -15.226 1.00 17.31 C ATOM 765 CE1 PHE A 86 1.081 -16.343 -16.353 1.00 16.12 C ATOM 766 CE2 PHE A 86 -0.305 -15.149 -14.747 1.00 17.43 C ATOM 767 CZ PHE A 86 0.950 -15.415 -15.271 1.00 16.92 C ATOM 768 H PHE A 86 -1.484 -16.300 -19.502 1.00 0.00 H ATOM 769 N ARG A 87 -4.466 -15.251 -17.240 1.00 20.94 N ATOM 770 CA ARG A 87 -4.971 -13.919 -16.995 1.00 22.65 C ATOM 771 C ARG A 87 -4.942 -13.678 -15.490 1.00 22.10 C ATOM 772 O ARG A 87 -5.249 -14.585 -14.713 1.00 21.23 O ATOM 773 CB ARG A 87 -6.392 -13.780 -17.519 1.00 24.71 C ATOM 774 CG ARG A 87 -7.018 -12.410 -17.312 1.00 28.26 C ATOM 775 CD ARG A 87 -8.310 -12.313 -18.071 1.00 40.56 C ATOM 776 NE ARG A 87 -8.021 -12.177 -19.495 1.00 50.29 N ATOM 777 CZ ARG A 87 -8.287 -11.091 -20.218 1.00 56.24 C ATOM 778 NH1 ARG A 87 -8.879 -10.040 -19.663 1.00 63.04 N ATOM 779 NH2 ARG A 87 -7.976 -11.059 -21.507 1.00 57.20 N ATOM 780 HE ARG A 87 -7.577 -12.984 -19.978 1.00 0.00 H ATOM 781 HH12 ARG A 87 -9.083 -9.196 -20.235 1.00 0.00 H ATOM 782 HH11 ARG A 87 -9.139 -10.061 -18.656 1.00 0.00 H ATOM 783 HH22 ARG A 87 -8.184 -10.210 -22.071 1.00 0.00 H ATOM 784 HH21 ARG A 87 -7.524 -11.882 -21.954 1.00 0.00 H ATOM 785 H ARG A 87 -4.895 -16.049 -16.730 1.00 0.00 H ATOM 786 N VAL A 88 -4.586 -12.467 -15.092 1.00 22.95 N ATOM 787 CA VAL A 88 -4.715 -12.054 -13.701 1.00 23.04 C ATOM 788 C VAL A 88 -5.740 -10.938 -13.638 1.00 26.16 C ATOM 789 O VAL A 88 -5.800 -10.074 -14.518 1.00 26.70 O ATOM 790 CB VAL A 88 -3.382 -11.596 -13.065 1.00 30.96 C ATOM 791 CG1 VAL A 88 -2.361 -12.712 -13.076 1.00 31.02 C ATOM 792 CG2 VAL A 88 -2.834 -10.399 -13.763 1.00 28.45 C ATOM 793 H VAL A 88 -4.205 -11.795 -15.788 1.00 0.00 H ATOM 794 N GLU A 89 -6.530 -10.941 -12.574 1.00 26.67 N ATOM 795 CA GLU A 89 -7.538 -9.929 -12.354 1.00 31.13 C ATOM 796 C GLU A 89 -7.208 -9.261 -11.040 1.00 29.87 C ATOM 797 O GLU A 89 -6.946 -9.943 -10.044 1.00 29.10 O ATOM 798 CB GLU A 89 -8.940 -10.519 -12.344 1.00 33.89 C ATOM 799 CG GLU A 89 -9.413 -10.796 -13.758 1.00 42.82 C ATOM 800 CD GLU A 89 -10.613 -11.704 -13.815 1.00 52.63 C ATOM 801 OE1 GLU A 89 -11.394 -11.737 -12.832 1.00 49.95 O ATOM 802 OE2 GLU A 89 -10.757 -12.398 -14.849 1.00 60.31 O ATOM 803 H GLU A 89 -6.421 -11.700 -11.871 1.00 0.00 H ATOM 804 N MET A 90 -7.124 -7.945 -11.078 1.00 29.52 N ATOM 805 CA MET A 90 -6.800 -7.202 -9.886 1.00 37.39 C ATOM 806 C MET A 90 -7.529 -5.879 -9.989 1.00 39.71 C ATOM 807 O MET A 90 -8.477 -5.734 -10.774 1.00 42.00 O ATOM 808 CB MET A 90 -5.277 -7.050 -9.729 1.00 37.53 C ATOM 809 CG MET A 90 -4.599 -6.260 -10.824 1.00 45.52 C ATOM 810 SD MET A 90 -4.244 -7.314 -12.258 1.00 49.02 S ATOM 811 CE MET A 90 -3.031 -6.325 -13.107 1.00 48.78 C ATOM 812 H MET A 90 -7.292 -7.441 -11.972 1.00 0.00 H ATOM 813 N VAL A 91 -7.091 -4.913 -9.207 1.00 40.40 N ATOM 814 CA VAL A 91 -7.643 -3.573 -9.247 1.00 43.84 C ATOM 815 C VAL A 91 -6.598 -2.644 -9.837 1.00 50.16 C ATOM 816 O VAL A 91 -5.400 -2.766 -9.548 1.00 50.49 O ATOM 817 CB VAL A 91 -8.089 -3.096 -7.860 1.00 40.05 C ATOM 818 CG1 VAL A 91 -8.705 -1.729 -7.991 1.00 44.63 C ATOM 819 CG2 VAL A 91 -9.083 -4.094 -7.282 1.00 40.94 C ATOM 820 H VAL A 91 -6.322 -5.119 -8.538 1.00 0.00 H ATOM 821 N TRP A 92 -7.060 -1.737 -10.684 1.00 54.22 N ATOM 822 CA TRP A 92 -6.250 -0.715 -11.316 1.00 56.11 C ATOM 823 C TRP A 92 -7.124 0.525 -11.384 1.00 60.41 C ATOM 824 O TRP A 92 -8.283 0.442 -11.809 1.00 64.48 O ATOM 825 CB TRP A 92 -5.791 -1.153 -12.717 1.00 53.95 C ATOM 826 CG TRP A 92 -5.404 -0.009 -13.567 1.00 57.84 C ATOM 827 CD1 TRP A 92 -6.002 0.401 -14.734 1.00 60.79 C ATOM 828 CD2 TRP A 92 -4.348 0.913 -13.308 1.00 57.83 C ATOM 829 NE1 TRP A 92 -5.370 1.523 -15.215 1.00 62.70 N ATOM 830 CE2 TRP A 92 -4.351 1.858 -14.358 1.00 62.39 C ATOM 831 CE3 TRP A 92 -3.394 1.033 -12.292 1.00 56.23 C ATOM 832 CZ2 TRP A 92 -3.433 2.906 -14.416 1.00 62.04 C ATOM 833 CZ3 TRP A 92 -2.486 2.076 -12.353 1.00 56.30 C ATOM 834 CH2 TRP A 92 -2.510 2.996 -13.407 1.00 60.08 C ATOM 835 HE1 TRP A 92 -5.622 2.034 -16.085 1.00 0.00 H ATOM 836 H TRP A 92 -8.075 -1.760 -10.911 1.00 0.00 H ATOM 837 N ASN A 93 -6.601 1.661 -10.922 1.00 56.92 N ATOM 838 CA ASN A 93 -7.396 2.886 -10.916 1.00 54.72 C ATOM 839 C ASN A 93 -8.686 2.644 -10.125 1.00 54.93 C ATOM 840 O ASN A 93 -9.762 3.149 -10.450 1.00 51.95 O ATOM 841 CB ASN A 93 -7.653 3.349 -12.362 1.00 52.59 C ATOM 842 CG ASN A 93 -8.577 4.540 -12.462 1.00 60.40 C ATOM 843 OD1 ASN A 93 -8.369 5.579 -11.826 1.00 64.78 O ATOM 844 ND2 ASN A 93 -9.618 4.395 -13.273 1.00 61.86 N ATOM 845 HD22 ASN A 93 -9.755 3.503 -13.789 1.00 0.00 H ATOM 846 HD21 ASN A 93 -10.297 5.174 -13.392 1.00 0.00 H ATOM 847 H ASN A 93 -5.624 1.675 -10.565 1.00 0.00 H ATOM 848 N GLY A 94 -8.577 1.812 -9.086 1.00 56.44 N ATOM 849 CA GLY A 94 -9.684 1.552 -8.188 1.00 59.83 C ATOM 850 C GLY A 94 -10.820 0.781 -8.825 1.00 60.99 C ATOM 851 O GLY A 94 -11.885 0.629 -8.216 1.00 62.86 O ATOM 852 H GLY A 94 -7.668 1.335 -8.916 1.00 0.00 H ATOM 853 N GLN A 95 -10.604 0.294 -10.044 1.00 63.69 N ATOM 854 CA GLN A 95 -11.586 -0.423 -10.841 1.00 62.05 C ATOM 855 C GLN A 95 -11.047 -1.794 -11.204 1.00 55.16 C ATOM 856 O GLN A 95 -9.828 -2.009 -11.219 1.00 54.93 O ATOM 857 CB GLN A 95 -11.925 0.344 -12.132 1.00 67.35 C ATOM 858 CG GLN A 95 -12.550 1.732 -11.923 1.00 76.39 C ATOM 859 CD GLN A 95 -14.041 1.677 -11.635 1.00 82.71 C ATOM 860 OE1 GLN A 95 -14.675 0.630 -11.781 1.00 84.34 O ATOM 861 NE2 GLN A 95 -14.610 2.809 -11.226 1.00 86.28 N ATOM 862 HE22 GLN A 95 -14.036 3.669 -11.117 1.00 0.00 H ATOM 863 HE21 GLN A 95 -15.628 2.833 -11.016 1.00 0.00 H ATOM 864 H GLN A 95 -9.661 0.437 -10.458 1.00 0.00 H ATOM 865 N PRO A 96 -11.909 -2.752 -11.518 1.00 48.33 N ATOM 866 CA PRO A 96 -11.411 -4.059 -11.940 1.00 47.14 C ATOM 867 C PRO A 96 -10.603 -3.938 -13.226 1.00 45.44 C ATOM 868 O PRO A 96 -10.884 -3.112 -14.092 1.00 49.84 O ATOM 869 CB PRO A 96 -12.684 -4.892 -12.131 1.00 47.47 C ATOM 870 CG PRO A 96 -13.798 -3.902 -12.243 1.00 52.18 C ATOM 871 CD PRO A 96 -13.382 -2.686 -11.485 1.00 52.19 C ATOM 872 N CYS A 97 -9.565 -4.748 -13.328 1.00 41.95 N ATOM 873 CA CYS A 97 -8.798 -4.781 -14.557 1.00 44.04 C ATOM 874 C CYS A 97 -8.247 -6.184 -14.721 1.00 39.33 C ATOM 875 O CYS A 97 -8.163 -6.970 -13.765 1.00 35.85 O ATOM 876 CB CYS A 97 -7.661 -3.757 -14.556 1.00 48.81 C ATOM 877 SG CYS A 97 -6.442 -4.167 -13.273 1.00 52.26 S ATOM 878 H CYS A 97 -9.299 -5.359 -12.530 1.00 0.00 H ATOM 879 N ALA A 98 -7.868 -6.484 -15.947 1.00 36.37 N ATOM 880 CA ALA A 98 -7.373 -7.796 -16.307 1.00 32.04 C ATOM 881 C ALA A 98 -6.053 -7.617 -17.023 1.00 32.12 C ATOM 882 O ALA A 98 -5.869 -6.658 -17.773 1.00 34.67 O ATOM 883 CB ALA A 98 -8.354 -8.552 -17.208 1.00 34.08 C ATOM 884 H ALA A 98 -7.927 -5.751 -16.683 1.00 0.00 H ATOM 885 N LEU A 99 -5.139 -8.532 -16.791 1.00 23.43 N ATOM 886 CA LEU A 99 -3.846 -8.503 -17.445 1.00 21.56 C ATOM 887 C LEU A 99 -3.572 -9.874 -18.032 1.00 24.47 C ATOM 888 O LEU A 99 -3.606 -10.878 -17.313 1.00 22.20 O ATOM 889 CB LEU A 99 -2.751 -8.116 -16.466 1.00 20.62 C ATOM 890 CG LEU A 99 -1.344 -8.044 -17.043 1.00 21.77 C ATOM 891 CD1 LEU A 99 -1.173 -6.797 -17.946 1.00 23.74 C ATOM 892 CD2 LEU A 99 -0.363 -8.062 -15.876 1.00 21.95 C ATOM 893 H LEU A 99 -5.349 -9.298 -16.120 1.00 0.00 H ATOM 894 N ASP A 100 -3.296 -9.922 -19.334 1.00 19.33 N ATOM 895 CA ASP A 100 -2.906 -11.181 -19.972 1.00 17.58 C ATOM 896 C ASP A 100 -1.404 -11.368 -19.869 1.00 16.69 C ATOM 897 O ASP A 100 -0.645 -10.462 -20.223 1.00 17.72 O ATOM 898 CB ASP A 100 -3.330 -11.188 -21.444 1.00 18.93 C ATOM 899 CG ASP A 100 -4.836 -11.142 -21.602 1.00 34.90 C ATOM 900 OD1 ASP A 100 -5.500 -11.931 -20.904 1.00 35.50 O ATOM 901 OD2 ASP A 100 -5.364 -10.315 -22.393 1.00 37.59 O ATOM 902 H ASP A 100 -3.358 -9.055 -19.905 1.00 0.00 H ATOM 903 N VAL A 101 -0.982 -12.577 -19.471 1.00 15.47 N ATOM 904 CA VAL A 101 0.429 -12.883 -19.235 1.00 15.07 C ATOM 905 C VAL A 101 0.761 -14.225 -19.868 1.00 12.91 C ATOM 906 O VAL A 101 -0.093 -15.113 -19.971 1.00 14.55 O ATOM 907 CB VAL A 101 0.744 -12.907 -17.695 1.00 13.39 C ATOM 908 CG1 VAL A 101 2.250 -13.000 -17.459 1.00 14.51 C ATOM 909 CG2 VAL A 101 0.184 -11.664 -17.031 1.00 17.98 C ATOM 910 H VAL A 101 -1.687 -13.328 -19.324 1.00 0.00 H ATOM 911 N ILE A 102 2.027 -14.400 -20.248 1.00 9.94 N ATOM 912 CA ILE A 102 2.558 -15.732 -20.519 1.00 12.94 C ATOM 913 C ILE A 102 3.782 -15.932 -19.634 1.00 14.10 C ATOM 914 O ILE A 102 4.680 -15.084 -19.607 1.00 15.28 O ATOM 915 CB ILE A 102 2.901 -15.932 -22.008 1.00 14.46 C ATOM 916 CG1 ILE A 102 1.622 -16.242 -22.801 1.00 15.03 C ATOM 917 CG2 ILE A 102 3.960 -17.037 -22.106 1.00 15.31 C ATOM 918 CD1 ILE A 102 1.857 -16.394 -24.329 1.00 14.66 C ATOM 919 H ILE A 102 2.647 -13.572 -20.353 1.00 0.00 H ATOM 920 N ASP A 103 3.809 -17.039 -18.889 1.00 12.84 N ATOM 921 CA ASP A 103 4.961 -17.371 -18.055 1.00 11.49 C ATOM 922 C ASP A 103 5.762 -18.481 -18.721 1.00 13.72 C ATOM 923 O ASP A 103 5.193 -19.498 -19.135 1.00 16.57 O ATOM 924 CB ASP A 103 4.525 -17.847 -16.666 1.00 13.11 C ATOM 925 CG ASP A 103 4.355 -16.706 -15.654 1.00 17.12 C ATOM 926 OD1 ASP A 103 4.655 -15.543 -15.992 1.00 15.50 O ATOM 927 OD2 ASP A 103 3.928 -17.010 -14.509 1.00 16.37 O ATOM 928 H ASP A 103 2.990 -17.680 -18.903 1.00 0.00 H ATOM 929 N VAL A 104 7.080 -18.308 -18.797 1.00 9.91 N ATOM 930 CA VAL A 104 7.994 -19.352 -19.253 1.00 10.47 C ATOM 931 C VAL A 104 8.800 -19.771 -18.022 1.00 11.23 C ATOM 932 O VAL A 104 9.352 -18.915 -17.324 1.00 14.04 O ATOM 933 CB VAL A 104 8.909 -18.843 -20.382 1.00 13.24 C ATOM 934 CG1 VAL A 104 9.897 -19.926 -20.804 1.00 15.79 C ATOM 935 CG2 VAL A 104 8.064 -18.381 -21.605 1.00 13.23 C ATOM 936 H VAL A 104 7.477 -17.388 -18.519 1.00 0.00 H ATOM 937 N MET A 105 8.854 -21.072 -17.745 1.00 11.44 N ATOM 938 CA MET A 105 9.570 -21.560 -16.568 1.00 14.71 C ATOM 939 C MET A 105 10.516 -22.671 -16.959 1.00 16.46 C ATOM 940 O MET A 105 10.210 -23.477 -17.842 1.00 18.24 O ATOM 941 CB MET A 105 8.610 -22.078 -15.504 1.00 14.61 C ATOM 942 CG MET A 105 7.944 -20.959 -14.770 1.00 14.12 C ATOM 943 SD MET A 105 6.748 -21.611 -13.633 1.00 16.96 S ATOM 944 CE MET A 105 6.193 -20.065 -12.888 1.00 18.88 C ATOM 945 H MET A 105 8.380 -21.751 -18.375 1.00 0.00 H ATOM 946 N ARG A 106 11.679 -22.685 -16.326 1.00 12.84 N ATOM 947 CA ARG A 106 12.579 -23.832 -16.363 1.00 16.05 C ATOM 948 C ARG A 106 12.721 -24.391 -14.943 1.00 19.65 C ATOM 949 O ARG A 106 13.007 -23.640 -14.008 1.00 18.57 O ATOM 950 CB ARG A 106 13.944 -23.437 -16.883 1.00 18.71 C ATOM 951 CG ARG A 106 14.934 -24.549 -16.799 1.00 19.80 C ATOM 952 CD ARG A 106 16.184 -24.264 -17.606 1.00 25.60 C ATOM 953 NE ARG A 106 16.982 -23.178 -17.059 1.00 32.03 N ATOM 954 CZ ARG A 106 17.918 -23.325 -16.121 1.00 37.90 C ATOM 955 NH1 ARG A 106 18.163 -24.525 -15.595 1.00 41.99 N ATOM 956 NH2 ARG A 106 18.608 -22.265 -15.707 1.00 35.21 N ATOM 957 HE ARG A 106 16.810 -22.220 -17.425 1.00 0.00 H ATOM 958 HH12 ARG A 106 18.895 -24.633 -14.864 1.00 0.00 H ATOM 959 HH11 ARG A 106 17.623 -25.354 -15.916 1.00 0.00 H ATOM 960 HH22 ARG A 106 19.339 -22.374 -14.976 1.00 0.00 H ATOM 961 HH21 ARG A 106 18.416 -21.328 -16.115 1.00 0.00 H ATOM 962 H ARG A 106 11.962 -21.845 -15.781 1.00 0.00 H ATOM 963 N PHE A 107 12.541 -25.697 -14.798 1.00 18.55 N ATOM 964 CA PHE A 107 12.648 -26.397 -13.526 1.00 20.25 C ATOM 965 C PHE A 107 14.005 -27.067 -13.387 1.00 31.12 C ATOM 966 O PHE A 107 14.661 -27.393 -14.379 1.00 25.74 O ATOM 967 CB PHE A 107 11.534 -27.435 -13.402 1.00 21.81 C ATOM 968 CG PHE A 107 10.178 -26.814 -13.267 1.00 21.31 C ATOM 969 CD1 PHE A 107 9.462 -26.444 -14.394 1.00 19.60 C ATOM 970 CD2 PHE A 107 9.631 -26.572 -11.998 1.00 22.05 C ATOM 971 CE1 PHE A 107 8.214 -25.828 -14.299 1.00 19.31 C ATOM 972 CE2 PHE A 107 8.374 -25.954 -11.877 1.00 20.36 C ATOM 973 CZ PHE A 107 7.663 -25.586 -13.034 1.00 19.66 C ATOM 974 H PHE A 107 12.309 -26.255 -15.645 1.00 0.00 H ATOM 975 N ASP A 108 14.436 -27.268 -12.136 1.00 24.95 N ATOM 976 CA ASP A 108 15.688 -27.971 -11.889 1.00 28.77 C ATOM 977 C ASP A 108 15.420 -29.456 -11.639 1.00 29.82 C ATOM 978 O ASP A 108 14.289 -29.932 -11.740 1.00 31.88 O ATOM 979 CB ASP A 108 16.467 -27.317 -10.739 1.00 34.34 C ATOM 980 CG ASP A 108 15.750 -27.392 -9.386 1.00 34.27 C ATOM 981 OD1 ASP A 108 14.790 -28.176 -9.214 1.00 29.10 O ATOM 982 OD2 ASP A 108 16.206 -26.663 -8.466 1.00 34.16 O ATOM 983 H ASP A 108 13.873 -26.920 -11.334 1.00 0.00 H ATOM 984 N GLU A 109 16.491 -30.207 -11.340 1.00 33.47 N ATOM 985 CA GLU A 109 16.387 -31.654 -11.119 1.00 42.77 C ATOM 986 C GLU A 109 15.647 -32.004 -9.835 1.00 41.79 C ATOM 987 O GLU A 109 15.396 -33.187 -9.576 1.00 41.76 O ATOM 988 CB GLU A 109 17.771 -32.312 -11.078 1.00 50.10 C ATOM 989 CG GLU A 109 18.932 -31.466 -11.594 1.00 59.29 C ATOM 990 CD GLU A 109 19.227 -30.257 -10.708 1.00 66.24 C ATOM 991 OE1 GLU A 109 19.906 -30.418 -9.670 1.00 74.99 O ATOM 992 OE2 GLU A 109 18.766 -29.146 -11.048 1.00 62.42 O ATOM 993 H GLU A 109 17.422 -29.750 -11.263 1.00 0.00 H ATOM 994 N HIS A 110 15.323 -31.015 -9.016 1.00 33.64 N ATOM 995 CA HIS A 110 14.521 -31.211 -7.822 1.00 35.91 C ATOM 996 C HIS A 110 13.081 -30.820 -8.040 1.00 34.87 C ATOM 997 O HIS A 110 12.317 -30.740 -7.076 1.00 37.07 O ATOM 998 CB HIS A 110 15.095 -30.399 -6.677 1.00 40.42 C ATOM 999 CG HIS A 110 16.416 -30.900 -6.212 1.00 49.89 C ATOM 1000 ND1 HIS A 110 17.605 -30.324 -6.602 1.00 53.92 N ATOM 1001 CD2 HIS A 110 16.742 -31.951 -5.422 1.00 56.26 C ATOM 1002 CE1 HIS A 110 18.608 -30.988 -6.052 1.00 60.02 C ATOM 1003 NE2 HIS A 110 18.111 -31.976 -5.329 1.00 59.59 N ATOM 1004 H HIS A 110 15.658 -30.056 -9.238 1.00 0.00 H ATOM 1005 N GLY A 111 12.711 -30.504 -9.277 1.00 27.17 N ATOM 1006 CA GLY A 111 11.353 -30.084 -9.511 1.00 23.78 C ATOM 1007 C GLY A 111 11.023 -28.690 -9.032 1.00 24.88 C ATOM 1008 O GLY A 111 9.846 -28.377 -8.855 1.00 28.10 O ATOM 1009 H GLY A 111 13.390 -30.559 -10.063 1.00 0.00 H ATOM 1010 N ARG A 112 12.019 -27.840 -8.809 1.00 23.23 N ATOM 1011 CA ARG A 112 11.768 -26.486 -8.336 1.00 21.98 C ATOM 1012 C ARG A 112 12.011 -25.500 -9.482 1.00 20.46 C ATOM 1013 O ARG A 112 12.789 -25.781 -10.405 1.00 21.42 O ATOM 1014 CB ARG A 112 12.651 -26.153 -7.131 1.00 24.92 C ATOM 1015 CG ARG A 112 12.334 -27.040 -5.951 1.00 29.03 C ATOM 1016 CD ARG A 112 12.898 -26.483 -4.667 1.00 37.70 C ATOM 1017 NE ARG A 112 12.505 -27.286 -3.517 1.00 45.33 N ATOM 1018 CZ ARG A 112 13.193 -28.331 -3.074 1.00 49.56 C ATOM 1019 NH1 ARG A 112 14.323 -28.709 -3.679 1.00 46.58 N ATOM 1020 NH2 ARG A 112 12.742 -29.005 -2.027 1.00 53.72 N ATOM 1021 HE ARG A 112 11.633 -27.025 -3.013 1.00 0.00 H ATOM 1022 HH12 ARG A 112 14.854 -29.529 -3.323 1.00 0.00 H ATOM 1023 HH11 ARG A 112 14.671 -28.183 -4.506 1.00 0.00 H ATOM 1024 HH22 ARG A 112 13.271 -29.826 -1.670 1.00 0.00 H ATOM 1025 HH21 ARG A 112 11.859 -28.713 -1.562 1.00 0.00 H ATOM 1026 H ARG A 112 12.998 -28.148 -8.976 1.00 0.00 H ATOM 1027 N ILE A 113 11.305 -24.368 -9.454 1.00 14.11 N ATOM 1028 CA ILE A 113 11.452 -23.370 -10.516 1.00 16.51 C ATOM 1029 C ILE A 113 12.827 -22.731 -10.426 1.00 18.15 C ATOM 1030 O ILE A 113 13.123 -21.979 -9.487 1.00 17.19 O ATOM 1031 CB ILE A 113 10.380 -22.279 -10.441 1.00 13.06 C ATOM 1032 CG1 ILE A 113 8.975 -22.852 -10.413 1.00 9.36 C ATOM 1033 CG2 ILE A 113 10.536 -21.291 -11.641 1.00 16.17 C ATOM 1034 CD1 ILE A 113 7.965 -21.878 -9.880 1.00 16.11 C ATOM 1035 H ILE A 113 10.644 -24.193 -8.671 1.00 0.00 H ATOM 1036 N GLN A 114 13.647 -22.936 -11.459 1.00 13.21 N ATOM 1037 CA GLN A 114 14.943 -22.279 -11.534 1.00 14.15 C ATOM 1038 C GLN A 114 14.855 -20.886 -12.138 1.00 17.94 C ATOM 1039 O GLN A 114 15.535 -19.963 -11.662 1.00 15.32 O ATOM 1040 CB GLN A 114 15.921 -23.122 -12.364 1.00 17.77 C ATOM 1041 CG GLN A 114 17.328 -22.575 -12.293 1.00 20.30 C ATOM 1042 CD GLN A 114 17.932 -22.817 -10.898 1.00 31.40 C ATOM 1043 OE1 GLN A 114 17.993 -23.967 -10.430 1.00 32.04 O ATOM 1044 NE2 GLN A 114 18.370 -21.737 -10.226 1.00 33.47 N ATOM 1045 HE22 GLN A 114 18.299 -20.793 -10.656 1.00 0.00 H ATOM 1046 HE21 GLN A 114 18.779 -21.846 -9.276 1.00 0.00 H ATOM 1047 H GLN A 114 13.354 -23.577 -12.224 1.00 0.00 H ATOM 1048 N THR A 115 14.079 -20.718 -13.220 1.00 14.94 N ATOM 1049 CA THR A 115 13.872 -19.400 -13.799 1.00 15.61 C ATOM 1050 C THR A 115 12.415 -19.246 -14.207 1.00 12.26 C ATOM 1051 O THR A 115 11.748 -20.217 -14.577 1.00 14.36 O ATOM 1052 CB THR A 115 14.770 -19.149 -15.011 1.00 19.76 C ATOM 1053 OG1 THR A 115 14.318 -19.950 -16.111 1.00 20.16 O ATOM 1054 CG2 THR A 115 16.215 -19.493 -14.707 1.00 19.58 C ATOM 1055 HG1 THR A 115 14.899 -19.788 -16.896 1.00 0.00 H ATOM 1056 H THR A 115 13.618 -21.544 -13.652 1.00 0.00 H ATOM 1057 N LYS A 116 11.919 -18.010 -14.090 1.00 13.52 N ATOM 1058 CA LYS A 116 10.616 -17.606 -14.617 1.00 11.61 C ATOM 1059 C LYS A 116 10.827 -16.324 -15.417 1.00 14.80 C ATOM 1060 O LYS A 116 11.466 -15.390 -14.911 1.00 13.60 O ATOM 1061 CB LYS A 116 9.571 -17.333 -13.506 1.00 13.23 C ATOM 1062 CG LYS A 116 8.119 -17.093 -14.076 1.00 13.03 C ATOM 1063 CD LYS A 116 7.128 -16.484 -13.067 1.00 16.30 C ATOM 1064 CE LYS A 116 7.352 -14.977 -12.881 1.00 18.22 C ATOM 1065 NZ LYS A 116 6.199 -14.393 -12.153 1.00 15.38 N ATOM 1066 HZ1 LYS A 116 5.329 -14.550 -12.701 1.00 0.00 H ATOM 1067 HZ2 LYS A 116 6.111 -14.849 -11.222 1.00 0.00 H ATOM 1068 HZ3 LYS A 116 6.351 -13.372 -12.027 1.00 0.00 H ATOM 1069 H LYS A 116 12.492 -17.296 -13.597 1.00 0.00 H ATOM 1070 N GLN A 117 10.307 -16.275 -16.653 1.00 15.59 N ATOM 1071 CA GLN A 117 10.138 -15.038 -17.422 1.00 14.66 C ATOM 1072 C GLN A 117 8.645 -14.814 -17.634 1.00 15.62 C ATOM 1073 O GLN A 117 7.961 -15.684 -18.191 1.00 15.38 O ATOM 1074 CB GLN A 117 10.850 -15.097 -18.784 1.00 16.13 C ATOM 1075 CG GLN A 117 12.347 -15.343 -18.718 1.00 22.26 C ATOM 1076 CD GLN A 117 12.687 -16.823 -18.569 1.00 31.96 C ATOM 1077 OE1 GLN A 117 13.428 -17.213 -17.660 1.00 42.01 O ATOM 1078 NE2 GLN A 117 12.131 -17.658 -19.447 1.00 26.39 N ATOM 1079 HE22 GLN A 117 11.513 -17.288 -20.197 1.00 0.00 H ATOM 1080 HE21 GLN A 117 12.315 -18.679 -19.382 1.00 0.00 H ATOM 1081 H GLN A 117 10.006 -17.168 -17.092 1.00 0.00 H ATOM 1082 N ALA A 118 8.132 -13.679 -17.159 1.00 13.63 N ATOM 1083 CA ALA A 118 6.725 -13.309 -17.340 1.00 13.63 C ATOM 1084 C ALA A 118 6.608 -12.271 -18.458 1.00 15.43 C ATOM 1085 O ALA A 118 7.042 -11.125 -18.293 1.00 18.69 O ATOM 1086 CB ALA A 118 6.147 -12.760 -16.038 1.00 15.58 C ATOM 1087 H ALA A 118 8.755 -13.029 -16.639 1.00 0.00 H ATOM 1088 N TYR A 119 5.981 -12.658 -19.568 1.00 13.34 N ATOM 1089 CA TYR A 119 5.823 -11.784 -20.734 1.00 14.68 C ATOM 1090 C TYR A 119 4.507 -11.033 -20.627 1.00 18.12 C ATOM 1091 O TYR A 119 3.439 -11.652 -20.588 1.00 17.54 O ATOM 1092 CB TYR A 119 5.855 -12.603 -22.024 1.00 16.02 C ATOM 1093 CG TYR A 119 7.245 -13.104 -22.326 1.00 14.57 C ATOM 1094 CD1 TYR A 119 7.709 -14.294 -21.782 1.00 14.16 C ATOM 1095 CD2 TYR A 119 8.094 -12.387 -23.176 1.00 19.88 C ATOM 1096 CE1 TYR A 119 8.995 -14.757 -22.066 1.00 15.37 C ATOM 1097 CE2 TYR A 119 9.383 -12.847 -23.450 1.00 18.71 C ATOM 1098 CZ TYR A 119 9.818 -14.023 -22.874 1.00 18.58 C ATOM 1099 OH TYR A 119 11.090 -14.481 -23.124 1.00 22.60 O ATOM 1100 HH TYR A 119 11.236 -15.330 -22.636 1.00 0.00 H ATOM 1101 H TYR A 119 5.587 -13.620 -19.609 1.00 0.00 H ATOM 1102 N TRP A 120 4.589 -9.708 -20.579 1.00 16.15 N ATOM 1103 CA TRP A 120 3.426 -8.838 -20.535 1.00 17.32 C ATOM 1104 C TRP A 120 3.934 -7.411 -20.573 1.00 19.10 C ATOM 1105 O TRP A 120 5.095 -7.144 -20.245 1.00 22.44 O ATOM 1106 CB TRP A 120 2.567 -9.068 -19.279 1.00 16.70 C ATOM 1107 CG TRP A 120 3.237 -8.697 -17.977 1.00 22.58 C ATOM 1108 CD1 TRP A 120 3.985 -9.524 -17.168 1.00 22.24 C ATOM 1109 CD2 TRP A 120 3.201 -7.424 -17.328 1.00 23.23 C ATOM 1110 NE1 TRP A 120 4.418 -8.829 -16.058 1.00 19.17 N ATOM 1111 CE2 TRP A 120 3.939 -7.546 -16.125 1.00 21.78 C ATOM 1112 CE3 TRP A 120 2.595 -6.197 -17.630 1.00 24.48 C ATOM 1113 CZ2 TRP A 120 4.092 -6.476 -15.235 1.00 23.40 C ATOM 1114 CZ3 TRP A 120 2.756 -5.134 -16.759 1.00 24.55 C ATOM 1115 CH2 TRP A 120 3.504 -5.270 -15.581 1.00 23.96 C ATOM 1116 HE1 TRP A 120 5.011 -9.215 -15.295 1.00 0.00 H ATOM 1117 H TRP A 120 5.533 -9.271 -20.573 1.00 0.00 H ATOM 1118 N SER A 121 3.051 -6.505 -20.983 1.00 20.73 N ATOM 1119 CA SER A 121 3.270 -5.065 -20.878 1.00 22.78 C ATOM 1120 C SER A 121 1.898 -4.402 -20.824 1.00 24.17 C ATOM 1121 O SER A 121 0.876 -5.083 -20.781 1.00 23.74 O ATOM 1122 CB SER A 121 4.127 -4.566 -22.050 1.00 24.67 C ATOM 1123 OG SER A 121 3.347 -4.466 -23.237 1.00 25.26 O ATOM 1124 HG SER A 121 2.980 -5.357 -23.465 1.00 0.00 H ATOM 1125 H SER A 121 2.159 -6.839 -21.400 1.00 0.00 H ATOM 1126 N GLU A 122 1.859 -3.061 -20.866 1.00 26.44 N ATOM 1127 CA GLU A 122 0.563 -2.384 -20.747 1.00 28.11 C ATOM 1128 C GLU A 122 -0.353 -2.645 -21.937 1.00 29.19 C ATOM 1129 O GLU A 122 -1.566 -2.447 -21.814 1.00 29.92 O ATOM 1130 CB GLU A 122 0.729 -0.866 -20.554 1.00 30.73 C ATOM 1131 CG GLU A 122 1.260 -0.121 -21.749 1.00 37.39 C ATOM 1132 CD GLU A 122 2.726 -0.380 -21.973 1.00 39.90 C ATOM 1133 OE1 GLU A 122 3.364 -0.936 -21.051 1.00 36.96 O ATOM 1134 OE2 GLU A 122 3.227 -0.030 -23.068 1.00 44.69 O ATOM 1135 H GLU A 122 2.734 -2.511 -20.981 1.00 0.00 H ATOM 1136 N VAL A 123 0.178 -3.112 -23.072 1.00 29.27 N ATOM 1137 CA VAL A 123 -0.691 -3.511 -24.171 1.00 31.56 C ATOM 1138 C VAL A 123 -1.585 -4.678 -23.786 1.00 27.71 C ATOM 1139 O VAL A 123 -2.556 -4.966 -24.493 1.00 30.63 O ATOM 1140 CB VAL A 123 0.130 -3.867 -25.440 1.00 29.38 C ATOM 1141 CG1 VAL A 123 1.065 -2.748 -25.787 1.00 36.01 C ATOM 1142 CG2 VAL A 123 0.921 -5.150 -25.267 1.00 29.42 C ATOM 1143 H VAL A 123 1.210 -3.190 -23.170 1.00 0.00 H ATOM 1144 N ASN A 124 -1.283 -5.356 -22.680 1.00 25.58 N ATOM 1145 CA ASN A 124 -2.014 -6.543 -22.245 1.00 24.15 C ATOM 1146 C ASN A 124 -2.953 -6.258 -21.073 1.00 28.54 C ATOM 1147 O ASN A 124 -3.535 -7.191 -20.509 1.00 25.51 O ATOM 1148 CB ASN A 124 -1.030 -7.658 -21.862 1.00 21.64 C ATOM 1149 CG ASN A 124 -0.168 -8.090 -23.025 1.00 24.81 C ATOM 1150 OD1 ASN A 124 1.060 -7.940 -23.009 1.00 22.97 O ATOM 1151 ND2 ASN A 124 -0.810 -8.633 -24.052 1.00 23.31 N ATOM 1152 HD22 ASN A 124 -1.844 -8.739 -24.021 1.00 0.00 H ATOM 1153 HD21 ASN A 124 -0.279 -8.952 -24.887 1.00 0.00 H ATOM 1154 H ASN A 124 -0.488 -5.024 -22.098 1.00 0.00 H ATOM 1155 N LEU A 125 -3.117 -4.996 -20.710 1.00 29.66 N ATOM 1156 CA LEU A 125 -3.943 -4.592 -19.583 1.00 30.63 C ATOM 1157 C LEU A 125 -5.268 -4.058 -20.106 1.00 33.88 C ATOM 1158 O LEU A 125 -5.279 -3.140 -20.923 1.00 35.66 O ATOM 1159 CB LEU A 125 -3.222 -3.525 -18.768 1.00 30.35 C ATOM 1160 CG LEU A 125 -3.925 -3.040 -17.498 1.00 36.49 C ATOM 1161 CD1 LEU A 125 -4.180 -4.203 -16.542 1.00 29.76 C ATOM 1162 CD2 LEU A 125 -3.095 -1.963 -16.828 1.00 36.94 C ATOM 1163 H LEU A 125 -2.631 -4.257 -21.257 1.00 0.00 H ATOM 1164 N SER A 126 -6.377 -4.644 -19.654 1.00 30.26 N ATOM 1165 CA SER A 126 -7.713 -4.217 -20.057 1.00 38.71 C ATOM 1166 C SER A 126 -8.538 -3.831 -18.845 1.00 40.37 C ATOM 1167 O SER A 126 -8.253 -4.235 -17.718 1.00 44.31 O ATOM 1168 CB SER A 126 -8.486 -5.310 -20.806 1.00 41.25 C ATOM 1169 OG SER A 126 -7.631 -6.133 -21.559 1.00 43.05 O ATOM 1170 HG SER A 126 -6.980 -6.571 -20.955 1.00 0.00 H ATOM 1171 H SER A 126 -6.286 -5.437 -18.988 1.00 0.00 H ATOM 1172 N VAL A 127 -9.609 -3.084 -19.116 1.00 43.53 N ATOM 1173 CA VAL A 127 -10.557 -2.620 -18.111 1.00 45.27 C ATOM 1174 C VAL A 127 -11.961 -2.675 -18.713 1.00 58.17 C ATOM 1175 O VAL A 127 -12.139 -2.881 -19.918 1.00 58.54 O ATOM 1176 CB VAL A 127 -10.222 -1.196 -17.620 1.00 43.20 C ATOM 1177 CG1 VAL A 127 -10.287 -0.221 -18.787 1.00 43.65 C ATOM 1178 CG2 VAL A 127 -11.157 -0.783 -16.491 1.00 48.41 C ATOM 1179 H VAL A 127 -9.778 -2.816 -20.106 1.00 0.00 H ATOM 1180 N ARG A 128 -12.964 -2.483 -17.853 1.00 65.00 N ATOM 1181 CA ARG A 128 -14.379 -2.615 -18.223 1.00 70.74 C ATOM 1182 C ARG A 128 -14.776 -4.091 -18.322 1.00 71.64 C ATOM 1183 O ARG A 128 -13.982 -4.944 -18.737 1.00 68.54 O ATOM 1184 CB ARG A 128 -14.688 -1.899 -19.546 1.00 73.46 C ATOM 1185 CG ARG A 128 -14.461 -0.394 -19.535 1.00 77.35 C ATOM 1186 CD ARG A 128 -14.092 0.122 -18.142 1.00 81.22 C ATOM 1187 NE ARG A 128 -15.252 0.459 -17.315 1.00 87.17 N ATOM 1188 CZ ARG A 128 -15.217 0.589 -15.988 1.00 86.50 C ATOM 1189 NH1 ARG A 128 -14.080 0.388 -15.324 1.00 81.85 N ATOM 1190 NH2 ARG A 128 -16.322 0.909 -15.324 1.00 88.05 N ATOM 1191 HE ARG A 128 -16.163 0.607 -17.794 1.00 0.00 H ATOM 1192 HH12 ARG A 128 -14.057 0.490 -14.289 1.00 0.00 H ATOM 1193 HH11 ARG A 128 -13.215 0.129 -15.840 1.00 0.00 H ATOM 1194 HH22 ARG A 128 -16.296 1.011 -14.289 1.00 0.00 H ATOM 1195 HH21 ARG A 128 -17.213 1.058 -15.839 1.00 0.00 H ATOM 1196 H ARG A 128 -12.732 -2.227 -16.872 1.00 0.00 H TER 1197 ARG A 128 ATOM 1198 N LEU B 3 14.592 -1.354 -32.604 1.00 60.95 N ATOM 1199 CA LEU B 3 13.928 -2.408 -31.828 1.00 51.97 C ATOM 1200 C LEU B 3 12.419 -2.203 -31.782 1.00 42.10 C ATOM 1201 O LEU B 3 11.950 -1.179 -31.301 1.00 45.49 O ATOM 1202 CB LEU B 3 14.481 -2.455 -30.408 1.00 52.28 C ATOM 1203 CG LEU B 3 14.695 -3.844 -29.822 1.00 45.28 C ATOM 1204 CD1 LEU B 3 15.715 -4.583 -30.647 1.00 43.98 C ATOM 1205 CD2 LEU B 3 15.169 -3.718 -28.389 1.00 46.24 C ATOM 1206 HN3 LEU B 3 14.398 -0.430 -32.168 1.00 0.00 H ATOM 1207 HN2 LEU B 3 14.229 -1.362 -33.579 1.00 0.00 H ATOM 1208 HN1 LEU B 3 15.618 -1.526 -32.614 1.00 0.00 H ATOM 1209 N PRO B 4 11.659 -3.174 -32.281 1.00 36.26 N ATOM 1210 CA PRO B 4 10.201 -3.013 -32.315 1.00 33.58 C ATOM 1211 C PRO B 4 9.623 -2.733 -30.925 1.00 34.34 C ATOM 1212 O PRO B 4 9.979 -3.381 -29.932 1.00 30.34 O ATOM 1213 CB PRO B 4 9.700 -4.345 -32.889 1.00 33.54 C ATOM 1214 CG PRO B 4 10.900 -5.213 -33.084 1.00 32.14 C ATOM 1215 CD PRO B 4 12.119 -4.403 -32.949 1.00 33.66 C ATOM 1216 N THR B 5 8.733 -1.739 -30.874 1.00 35.17 N ATOM 1217 CA THR B 5 7.920 -1.450 -29.701 1.00 32.71 C ATOM 1218 C THR B 5 6.993 -2.623 -29.387 1.00 28.32 C ATOM 1219 O THR B 5 6.776 -3.509 -30.214 1.00 27.26 O ATOM 1220 CB THR B 5 7.065 -0.212 -29.947 1.00 32.88 C ATOM 1221 OG1 THR B 5 6.094 -0.523 -30.957 1.00 32.56 O ATOM 1222 CG2 THR B 5 7.928 0.983 -30.383 1.00 36.50 C ATOM 1223 HG1 THR B 5 6.559 -0.784 -31.791 1.00 0.00 H ATOM 1224 H THR B 5 8.614 -1.140 -31.716 1.00 0.00 H ATOM 1225 N ALA B 6 6.414 -2.609 -28.179 1.00 31.88 N ATOM 1226 CA ALA B 6 5.521 -3.703 -27.780 1.00 24.77 C ATOM 1227 C ALA B 6 4.356 -3.838 -28.756 1.00 27.49 C ATOM 1228 O ALA B 6 3.979 -4.952 -29.156 1.00 25.40 O ATOM 1229 CB ALA B 6 5.021 -3.472 -26.338 1.00 25.59 C ATOM 1230 H ALA B 6 6.597 -1.823 -27.524 1.00 0.00 H ATOM 1231 N GLN B 7 3.826 -2.709 -29.229 1.00 27.36 N ATOM 1232 CA GLN B 7 2.737 -2.793 -30.194 1.00 28.30 C ATOM 1233 C GLN B 7 3.225 -3.358 -31.523 1.00 27.04 C ATOM 1234 O GLN B 7 2.536 -4.162 -32.156 1.00 26.10 O ATOM 1235 CB GLN B 7 2.099 -1.427 -30.370 1.00 37.43 C ATOM 1236 CG GLN B 7 1.626 -0.900 -29.022 1.00 51.18 C ATOM 1237 CD GLN B 7 1.140 0.519 -29.079 1.00 62.27 C ATOM 1238 OE1 GLN B 7 0.993 1.091 -30.164 1.00 70.18 O ATOM 1239 NE2 GLN B 7 0.884 1.104 -27.912 1.00 62.36 N ATOM 1240 HE22 GLN B 7 1.024 0.579 -27.025 1.00 0.00 H ATOM 1241 HE21 GLN B 7 0.544 2.086 -27.886 1.00 0.00 H ATOM 1242 H GLN B 7 4.184 -1.784 -28.915 1.00 0.00 H ATOM 1243 N GLU B 8 4.433 -2.987 -31.927 1.00 27.49 N ATOM 1244 CA GLU B 8 4.978 -3.528 -33.155 1.00 28.66 C ATOM 1245 C GLU B 8 5.231 -5.022 -33.031 1.00 27.34 C ATOM 1246 O GLU B 8 4.981 -5.777 -33.989 1.00 23.18 O ATOM 1247 CB GLU B 8 6.242 -2.770 -33.522 1.00 29.73 C ATOM 1248 CG GLU B 8 5.914 -1.423 -34.160 1.00 32.82 C ATOM 1249 CD GLU B 8 7.115 -0.507 -34.272 1.00 42.68 C ATOM 1250 OE1 GLU B 8 8.082 -0.711 -33.511 1.00 38.36 O ATOM 1251 OE2 GLU B 8 7.091 0.411 -35.136 1.00 46.07 O ATOM 1252 H GLU B 8 4.987 -2.310 -31.364 1.00 0.00 H ATOM 1253 N VAL B 9 5.702 -5.465 -31.851 1.00 25.09 N ATOM 1254 CA VAL B 9 5.859 -6.893 -31.578 1.00 19.59 C ATOM 1255 C VAL B 9 4.537 -7.618 -31.759 1.00 18.69 C ATOM 1256 O VAL B 9 4.482 -8.668 -32.398 1.00 21.56 O ATOM 1257 CB VAL B 9 6.441 -7.119 -30.165 1.00 19.08 C ATOM 1258 CG1 VAL B 9 6.386 -8.580 -29.720 1.00 19.31 C ATOM 1259 CG2 VAL B 9 7.879 -6.609 -30.113 1.00 24.69 C ATOM 1260 H VAL B 9 5.960 -4.776 -31.116 1.00 0.00 H ATOM 1261 N GLN B 10 3.453 -7.076 -31.201 1.00 20.07 N ATOM 1262 CA GLN B 10 2.170 -7.742 -31.376 1.00 20.12 C ATOM 1263 C GLN B 10 1.852 -7.896 -32.856 1.00 22.86 C ATOM 1264 O GLN B 10 1.445 -8.978 -33.306 1.00 22.19 O ATOM 1265 CB GLN B 10 1.053 -6.965 -30.704 1.00 21.79 C ATOM 1266 CG GLN B 10 1.245 -6.746 -29.184 1.00 27.70 C ATOM 1267 CD GLN B 10 -0.011 -6.211 -28.538 1.00 31.60 C ATOM 1268 OE1 GLN B 10 -0.794 -6.977 -27.939 1.00 36.78 O ATOM 1269 NE2 GLN B 10 -0.231 -4.903 -28.661 1.00 31.14 N ATOM 1270 HE22 GLN B 10 0.452 -4.306 -29.170 1.00 0.00 H ATOM 1271 HE21 GLN B 10 -1.086 -4.478 -28.248 1.00 0.00 H ATOM 1272 H GLN B 10 3.523 -6.195 -30.652 1.00 0.00 H ATOM 1273 N GLY B 11 2.040 -6.814 -33.628 1.00 24.63 N ATOM 1274 CA GLY B 11 1.736 -6.874 -35.057 1.00 25.71 C ATOM 1275 C GLY B 11 2.555 -7.927 -35.780 1.00 22.10 C ATOM 1276 O GLY B 11 2.017 -8.735 -36.542 1.00 24.15 O ATOM 1277 H GLY B 11 2.402 -5.933 -33.210 1.00 0.00 H ATOM 1278 N LEU B 12 3.872 -7.944 -35.527 1.00 21.30 N ATOM 1279 CA LEU B 12 4.769 -8.870 -36.216 1.00 19.17 C ATOM 1280 C LEU B 12 4.464 -10.315 -35.867 1.00 21.41 C ATOM 1281 O LEU B 12 4.459 -11.186 -36.747 1.00 20.32 O ATOM 1282 CB LEU B 12 6.224 -8.550 -35.861 1.00 22.22 C ATOM 1283 CG LEU B 12 6.859 -7.318 -36.481 1.00 26.02 C ATOM 1284 CD1 LEU B 12 8.075 -6.887 -35.672 1.00 28.49 C ATOM 1285 CD2 LEU B 12 7.219 -7.618 -37.953 1.00 24.80 C ATOM 1286 H LEU B 12 4.264 -7.284 -34.825 1.00 0.00 H ATOM 1287 N MET B 13 4.241 -10.608 -34.591 1.00 17.38 N ATOM 1288 CA MET B 13 4.002 -11.998 -34.227 1.00 17.68 C ATOM 1289 C MET B 13 2.662 -12.480 -34.759 1.00 20.42 C ATOM 1290 O MET B 13 2.532 -13.650 -35.174 1.00 19.63 O ATOM 1291 CB MET B 13 4.110 -12.149 -32.718 1.00 15.33 C ATOM 1292 CG MET B 13 5.539 -11.900 -32.236 1.00 16.17 C ATOM 1293 SD MET B 13 5.902 -12.249 -30.491 1.00 18.42 S ATOM 1294 CE MET B 13 5.626 -14.020 -30.373 1.00 16.79 C ATOM 1295 H MET B 13 4.237 -9.861 -33.867 1.00 0.00 H ATOM 1296 N ALA B 14 1.670 -11.579 -34.814 1.00 17.62 N ATOM 1297 CA ALA B 14 0.399 -11.960 -35.404 1.00 17.98 C ATOM 1298 C ALA B 14 0.529 -12.155 -36.923 1.00 20.16 C ATOM 1299 O ALA B 14 -0.136 -13.028 -37.495 1.00 21.63 O ATOM 1300 CB ALA B 14 -0.660 -10.913 -35.091 1.00 19.57 C ATOM 1301 H ALA B 14 1.809 -10.619 -34.439 1.00 0.00 H ATOM 1302 N ARG B 15 1.390 -11.357 -37.576 1.00 20.11 N ATOM 1303 CA ARG B 15 1.663 -11.520 -39.007 1.00 22.76 C ATOM 1304 C ARG B 15 2.346 -12.850 -39.271 1.00 19.32 C ATOM 1305 O ARG B 15 2.020 -13.543 -40.239 1.00 20.40 O ATOM 1306 CB ARG B 15 2.522 -10.364 -39.511 1.00 25.41 C ATOM 1307 CG ARG B 15 3.179 -10.660 -40.867 1.00 27.74 C ATOM 1308 CD ARG B 15 3.313 -9.449 -41.784 1.00 42.39 C ATOM 1309 NE ARG B 15 3.431 -9.866 -43.187 1.00 45.97 N ATOM 1310 CZ ARG B 15 4.591 -10.100 -43.794 1.00 50.95 C ATOM 1311 NH1 ARG B 15 5.738 -9.958 -43.134 1.00 47.73 N ATOM 1312 NH2 ARG B 15 4.608 -10.477 -45.064 1.00 61.66 N ATOM 1313 HE ARG B 15 2.557 -9.985 -43.738 1.00 0.00 H ATOM 1314 HH12 ARG B 15 6.641 -10.143 -43.615 1.00 0.00 H ATOM 1315 HH11 ARG B 15 5.731 -9.662 -42.137 1.00 0.00 H ATOM 1316 HH22 ARG B 15 5.514 -10.660 -45.540 1.00 0.00 H ATOM 1317 HH21 ARG B 15 3.715 -10.590 -45.585 1.00 0.00 H ATOM 1318 H ARG B 15 1.877 -10.602 -37.051 1.00 0.00 H ATOM 1319 N TYR B 16 3.276 -13.237 -38.399 1.00 18.43 N ATOM 1320 CA TYR B 16 3.898 -14.554 -38.502 1.00 19.53 C ATOM 1321 C TYR B 16 2.848 -15.667 -38.490 1.00 18.62 C ATOM 1322 O TYR B 16 2.852 -16.560 -39.360 1.00 18.49 O ATOM 1323 CB TYR B 16 4.910 -14.735 -37.359 1.00 16.99 C ATOM 1324 CG TYR B 16 5.440 -16.144 -37.255 1.00 17.47 C ATOM 1325 CD1 TYR B 16 6.580 -16.536 -37.958 1.00 17.48 C ATOM 1326 CD2 TYR B 16 4.798 -17.088 -36.462 1.00 15.53 C ATOM 1327 CE1 TYR B 16 7.056 -17.865 -37.879 1.00 16.65 C ATOM 1328 CE2 TYR B 16 5.273 -18.394 -36.361 1.00 20.13 C ATOM 1329 CZ TYR B 16 6.413 -18.773 -37.065 1.00 17.27 C ATOM 1330 OH TYR B 16 6.861 -20.091 -36.966 1.00 15.29 O ATOM 1331 HH TYR B 16 7.674 -20.204 -37.519 1.00 0.00 H ATOM 1332 H TYR B 16 3.563 -12.592 -37.635 1.00 0.00 H ATOM 1333 N ILE B 17 1.910 -15.614 -37.535 1.00 19.50 N ATOM 1334 CA ILE B 17 0.874 -16.651 -37.506 1.00 20.06 C ATOM 1335 C ILE B 17 0.060 -16.641 -38.793 1.00 24.39 C ATOM 1336 O ILE B 17 -0.280 -17.706 -39.339 1.00 21.33 O ATOM 1337 CB ILE B 17 -0.040 -16.494 -36.275 1.00 20.25 C ATOM 1338 CG1 ILE B 17 0.756 -16.728 -34.983 1.00 21.28 C ATOM 1339 CG2 ILE B 17 -1.244 -17.464 -36.409 1.00 20.01 C ATOM 1340 CD1 ILE B 17 1.262 -18.164 -34.810 1.00 26.10 C ATOM 1341 H ILE B 17 1.917 -14.852 -36.828 1.00 0.00 H ATOM 1342 N GLU B 18 -0.292 -15.445 -39.286 1.00 24.78 N ATOM 1343 CA GLU B 18 -1.013 -15.339 -40.558 1.00 28.93 C ATOM 1344 C GLU B 18 -0.272 -16.049 -41.699 1.00 27.41 C ATOM 1345 O GLU B 18 -0.882 -16.781 -42.498 1.00 25.81 O ATOM 1346 CB GLU B 18 -1.237 -13.864 -40.891 1.00 33.69 C ATOM 1347 CG GLU B 18 -1.881 -13.613 -42.253 1.00 49.35 C ATOM 1348 CD GLU B 18 -2.307 -12.153 -42.425 1.00 61.82 C ATOM 1349 OE1 GLU B 18 -1.740 -11.282 -41.725 1.00 62.31 O ATOM 1350 OE2 GLU B 18 -3.221 -11.881 -43.241 1.00 67.26 O ATOM 1351 H GLU B 18 -0.050 -14.581 -38.759 1.00 0.00 H ATOM 1352 N LEU B 19 1.047 -15.845 -41.782 1.00 23.90 N ATOM 1353 CA LEU B 19 1.835 -16.477 -42.834 1.00 24.56 C ATOM 1354 C LEU B 19 1.918 -17.988 -42.659 1.00 23.76 C ATOM 1355 O LEU B 19 1.858 -18.731 -43.638 1.00 23.12 O ATOM 1356 CB LEU B 19 3.231 -15.878 -42.856 1.00 22.08 C ATOM 1357 CG LEU B 19 3.275 -14.411 -43.291 1.00 25.00 C ATOM 1358 CD1 LEU B 19 4.672 -13.914 -43.102 1.00 28.05 C ATOM 1359 CD2 LEU B 19 2.852 -14.258 -44.734 1.00 23.95 C ATOM 1360 H LEU B 19 1.516 -15.228 -41.088 1.00 0.00 H ATOM 1361 N VAL B 20 2.103 -18.464 -41.429 1.00 19.35 N ATOM 1362 CA VAL B 20 2.089 -19.902 -41.175 1.00 19.35 C ATOM 1363 C VAL B 20 0.767 -20.514 -41.636 1.00 23.03 C ATOM 1364 O VAL B 20 0.750 -21.581 -42.265 1.00 21.54 O ATOM 1365 CB VAL B 20 2.367 -20.188 -39.680 1.00 17.04 C ATOM 1366 CG1 VAL B 20 2.069 -21.654 -39.359 1.00 21.44 C ATOM 1367 CG2 VAL B 20 3.829 -19.833 -39.321 1.00 18.67 C ATOM 1368 H VAL B 20 2.259 -17.804 -40.640 1.00 0.00 H ATOM 1369 N ASP B 21 -0.356 -19.831 -41.363 1.00 19.05 N ATOM 1370 CA ASP B 21 -1.672 -20.354 -41.707 1.00 22.87 C ATOM 1371 C ASP B 21 -1.908 -20.409 -43.213 1.00 28.39 C ATOM 1372 O ASP B 21 -2.576 -21.338 -43.697 1.00 24.99 O ATOM 1373 CB ASP B 21 -2.740 -19.497 -41.051 1.00 22.43 C ATOM 1374 CG ASP B 21 -4.129 -20.052 -41.242 1.00 30.46 C ATOM 1375 OD1 ASP B 21 -4.359 -21.234 -40.927 1.00 30.70 O ATOM 1376 OD2 ASP B 21 -4.996 -19.300 -41.728 1.00 34.53 O ATOM 1377 H ASP B 21 -0.285 -18.905 -40.894 1.00 0.00 H ATOM 1378 N VAL B 22 -1.449 -19.395 -43.964 1.00 21.44 N ATOM 1379 CA VAL B 22 -1.519 -19.540 -45.421 1.00 24.22 C ATOM 1380 C VAL B 22 -0.425 -20.455 -45.960 1.00 24.78 C ATOM 1381 O VAL B 22 -0.560 -20.964 -47.075 1.00 26.77 O ATOM 1382 CB VAL B 22 -1.433 -18.222 -46.221 1.00 37.23 C ATOM 1383 CG1 VAL B 22 -2.610 -17.325 -45.941 1.00 40.74 C ATOM 1384 CG2 VAL B 22 -0.105 -17.518 -46.016 1.00 33.68 C ATOM 1385 H VAL B 22 -1.057 -18.536 -43.527 1.00 0.00 H ATOM 1386 N GLY B 23 0.663 -20.656 -45.220 1.00 29.47 N ATOM 1387 CA GLY B 23 1.717 -21.550 -45.658 1.00 28.31 C ATOM 1388 C GLY B 23 2.703 -20.978 -46.656 1.00 31.02 C ATOM 1389 O GLY B 23 3.208 -21.724 -47.504 1.00 36.98 O ATOM 1390 H GLY B 23 0.759 -20.162 -44.310 1.00 0.00 H ATOM 1391 N ASP B 24 3.006 -19.680 -46.581 1.00 30.95 N ATOM 1392 CA ASP B 24 3.981 -19.059 -47.480 1.00 35.19 C ATOM 1393 C ASP B 24 5.367 -19.223 -46.860 1.00 29.71 C ATOM 1394 O ASP B 24 5.785 -18.419 -46.033 1.00 31.18 O ATOM 1395 CB ASP B 24 3.642 -17.593 -47.715 1.00 36.64 C ATOM 1396 CG ASP B 24 4.390 -17.004 -48.887 1.00 44.29 C ATOM 1397 OD1 ASP B 24 5.577 -17.336 -49.080 1.00 41.82 O ATOM 1398 OD2 ASP B 24 3.774 -16.222 -49.637 1.00 52.63 O ATOM 1399 H ASP B 24 2.536 -19.093 -45.863 1.00 0.00 H ATOM 1400 N ILE B 25 6.092 -20.264 -47.285 1.00 37.17 N ATOM 1401 CA ILE B 25 7.401 -20.548 -46.695 1.00 38.12 C ATOM 1402 C ILE B 25 8.340 -19.369 -46.900 1.00 33.83 C ATOM 1403 O ILE B 25 9.043 -18.945 -45.977 1.00 27.38 O ATOM 1404 CB ILE B 25 8.009 -21.829 -47.299 1.00 40.01 C ATOM 1405 CG1 ILE B 25 7.042 -23.011 -47.205 1.00 41.73 C ATOM 1406 CG2 ILE B 25 9.329 -22.146 -46.613 1.00 32.84 C ATOM 1407 CD1 ILE B 25 6.421 -23.164 -45.852 1.00 37.86 C ATOM 1408 H ILE B 25 5.723 -20.876 -48.040 1.00 0.00 H ATOM 1409 N GLU B 26 8.394 -18.845 -48.131 1.00 31.04 N ATOM 1410 CA GLU B 26 9.368 -17.796 -48.424 1.00 30.99 C ATOM 1411 C GLU B 26 9.111 -16.554 -47.579 1.00 29.35 C ATOM 1412 O GLU B 26 10.053 -15.897 -47.118 1.00 29.39 O ATOM 1413 CB GLU B 26 9.354 -17.434 -49.917 1.00 33.87 C ATOM 1414 CG GLU B 26 9.943 -18.503 -50.815 1.00 45.94 C ATOM 1415 CD GLU B 26 9.079 -19.753 -50.869 1.00 52.81 C ATOM 1416 OE1 GLU B 26 7.838 -19.633 -50.754 1.00 52.19 O ATOM 1417 OE2 GLU B 26 9.640 -20.859 -51.021 1.00 55.66 O ATOM 1418 H GLU B 26 7.748 -19.182 -48.873 1.00 0.00 H ATOM 1419 N ALA B 27 7.843 -16.193 -47.405 1.00 28.41 N ATOM 1420 CA ALA B 27 7.529 -15.014 -46.606 1.00 32.16 C ATOM 1421 C ALA B 27 7.915 -15.236 -45.139 1.00 26.50 C ATOM 1422 O ALA B 27 8.443 -14.319 -44.472 1.00 26.49 O ATOM 1423 CB ALA B 27 6.044 -14.671 -46.758 1.00 29.13 C ATOM 1424 H ALA B 27 7.078 -16.749 -47.837 1.00 0.00 H ATOM 1425 N ILE B 28 7.678 -16.456 -44.626 1.00 23.86 N ATOM 1426 CA ILE B 28 8.072 -16.779 -43.249 1.00 22.15 C ATOM 1427 C ILE B 28 9.574 -16.642 -43.092 1.00 23.01 C ATOM 1428 O ILE B 28 10.066 -15.969 -42.171 1.00 22.56 O ATOM 1429 CB ILE B 28 7.615 -18.196 -42.865 1.00 21.36 C ATOM 1430 CG1 ILE B 28 6.097 -18.251 -42.763 1.00 25.51 C ATOM 1431 CG2 ILE B 28 8.275 -18.612 -41.538 1.00 20.21 C ATOM 1432 CD1 ILE B 28 5.566 -19.645 -42.579 1.00 27.65 C ATOM 1433 H ILE B 28 7.211 -17.178 -45.211 1.00 0.00 H ATOM 1434 N VAL B 29 10.328 -17.260 -44.008 1.00 24.73 N ATOM 1435 CA VAL B 29 11.784 -17.195 -43.914 1.00 26.78 C ATOM 1436 C VAL B 29 12.269 -15.750 -43.982 1.00 28.65 C ATOM 1437 O VAL B 29 13.179 -15.354 -43.238 1.00 28.80 O ATOM 1438 CB VAL B 29 12.440 -18.071 -44.993 1.00 31.64 C ATOM 1439 CG1 VAL B 29 13.920 -17.765 -45.087 1.00 36.27 C ATOM 1440 CG2 VAL B 29 12.217 -19.524 -44.673 1.00 30.56 C ATOM 1441 H VAL B 29 9.879 -17.785 -44.785 1.00 0.00 H ATOM 1442 N GLN B 30 11.676 -14.935 -44.865 1.00 27.89 N ATOM 1443 CA GLN B 30 12.083 -13.538 -44.924 1.00 29.26 C ATOM 1444 C GLN B 30 11.846 -12.812 -43.606 1.00 28.40 C ATOM 1445 O GLN B 30 12.487 -11.785 -43.376 1.00 33.07 O ATOM 1446 CB GLN B 30 11.362 -12.804 -46.060 1.00 39.65 C ATOM 1447 CG GLN B 30 12.168 -12.778 -47.355 1.00 52.92 C ATOM 1448 CD GLN B 30 11.324 -12.455 -48.582 1.00 60.55 C ATOM 1449 OE1 GLN B 30 10.119 -12.201 -48.471 1.00 60.72 O ATOM 1450 NE2 GLN B 30 11.955 -12.474 -49.764 1.00 65.39 N ATOM 1451 HE22 GLN B 30 12.971 -12.693 -49.808 1.00 0.00 H ATOM 1452 HE21 GLN B 30 11.429 -12.270 -50.638 1.00 0.00 H ATOM 1453 H GLN B 30 10.935 -15.295 -45.500 1.00 0.00 H ATOM 1454 N MET B 31 10.942 -13.311 -42.741 1.00 25.46 N ATOM 1455 CA MET B 31 10.796 -12.686 -41.421 1.00 27.29 C ATOM 1456 C MET B 31 12.011 -12.892 -40.509 1.00 27.70 C ATOM 1457 O MET B 31 12.150 -12.171 -39.509 1.00 26.40 O ATOM 1458 CB MET B 31 9.543 -13.203 -40.715 1.00 23.49 C ATOM 1459 CG MET B 31 8.246 -12.714 -41.363 1.00 26.48 C ATOM 1460 SD MET B 31 6.857 -12.845 -40.240 1.00 27.17 S ATOM 1461 CE MET B 31 7.247 -11.609 -38.996 1.00 25.28 C ATOM 1462 H MET B 31 10.355 -14.128 -43.005 1.00 0.00 H ATOM 1463 N TYR B 32 12.890 -13.845 -40.812 1.00 25.55 N ATOM 1464 CA TYR B 32 14.006 -14.134 -39.926 1.00 26.55 C ATOM 1465 C TYR B 32 15.251 -13.317 -40.270 1.00 32.21 C ATOM 1466 O TYR B 32 15.522 -13.004 -41.438 1.00 30.95 O ATOM 1467 CB TYR B 32 14.346 -15.623 -39.951 1.00 26.91 C ATOM 1468 CG TYR B 32 13.423 -16.499 -39.128 1.00 23.67 C ATOM 1469 CD1 TYR B 32 13.691 -16.772 -37.767 1.00 23.18 C ATOM 1470 CD2 TYR B 32 12.274 -17.056 -39.690 1.00 22.35 C ATOM 1471 CE1 TYR B 32 12.843 -17.580 -37.022 1.00 22.89 C ATOM 1472 CE2 TYR B 32 11.431 -17.872 -38.953 1.00 20.66 C ATOM 1473 CZ TYR B 32 11.729 -18.134 -37.607 1.00 20.14 C ATOM 1474 OH TYR B 32 10.887 -18.928 -36.848 1.00 19.23 O ATOM 1475 HH TYR B 32 10.826 -19.827 -37.257 1.00 0.00 H ATOM 1476 H TYR B 32 12.777 -14.388 -41.692 1.00 0.00 H ATOM 1477 N ALA B 33 16.015 -12.982 -39.223 1.00 32.83 N ATOM 1478 CA ALA B 33 17.307 -12.319 -39.343 1.00 34.80 C ATOM 1479 C ALA B 33 18.368 -13.287 -39.878 1.00 42.01 C ATOM 1480 O ALA B 33 18.189 -14.509 -39.898 1.00 42.65 O ATOM 1481 CB ALA B 33 17.755 -11.751 -37.993 1.00 34.49 C ATOM 1482 H ALA B 33 15.666 -13.208 -38.270 1.00 0.00 H ATOM 1483 N ASP B 34 19.499 -12.723 -40.304 1.00 45.28 N ATOM 1484 CA ASP B 34 20.525 -13.529 -40.960 1.00 50.85 C ATOM 1485 C ASP B 34 21.004 -14.666 -40.068 1.00 50.74 C ATOM 1486 O ASP B 34 21.118 -15.814 -40.512 1.00 57.22 O ATOM 1487 CB ASP B 34 21.699 -12.643 -41.374 1.00 54.37 C ATOM 1488 CG ASP B 34 21.366 -11.781 -42.553 1.00 60.39 C ATOM 1489 OD1 ASP B 34 20.435 -12.166 -43.289 1.00 59.53 O ATOM 1490 OD2 ASP B 34 22.030 -10.735 -42.749 1.00 66.55 O ATOM 1491 H ASP B 34 19.651 -11.703 -40.168 1.00 0.00 H ATOM 1492 N ASP B 35 21.313 -14.363 -38.814 1.00 43.95 N ATOM 1493 CA ASP B 35 21.888 -15.336 -37.902 1.00 48.71 C ATOM 1494 C ASP B 35 20.844 -15.950 -36.989 1.00 43.85 C ATOM 1495 O ASP B 35 21.190 -16.507 -35.940 1.00 41.83 O ATOM 1496 CB ASP B 35 22.987 -14.666 -37.086 1.00 60.82 C ATOM 1497 CG ASP B 35 22.603 -13.264 -36.666 1.00 69.59 C ATOM 1498 OD1 ASP B 35 21.727 -12.672 -37.341 1.00 69.56 O ATOM 1499 OD2 ASP B 35 23.165 -12.757 -35.667 1.00 76.48 O ATOM 1500 H ASP B 35 21.138 -13.396 -38.473 1.00 0.00 H ATOM 1501 N ALA B 36 19.571 -15.847 -37.359 1.00 35.20 N ATOM 1502 CA ALA B 36 18.502 -16.296 -36.482 1.00 32.15 C ATOM 1503 C ALA B 36 18.727 -17.725 -36.011 1.00 34.83 C ATOM 1504 O ALA B 36 19.399 -18.520 -36.670 1.00 33.81 O ATOM 1505 CB ALA B 36 17.156 -16.204 -37.196 1.00 30.43 C ATOM 1506 H ALA B 36 19.337 -15.440 -38.287 1.00 0.00 H ATOM 1507 N THR B 37 18.138 -18.052 -34.852 1.00 32.43 N ATOM 1508 CA THR B 37 18.098 -19.418 -34.349 1.00 34.44 C ATOM 1509 C THR B 37 16.651 -19.832 -34.090 1.00 32.33 C ATOM 1510 O THR B 37 15.818 -19.021 -33.652 1.00 30.46 O ATOM 1511 CB THR B 37 18.936 -19.574 -33.067 1.00 35.98 C ATOM 1512 OG1 THR B 37 18.318 -18.826 -32.025 1.00 38.06 O ATOM 1513 CG2 THR B 37 20.332 -19.027 -33.272 1.00 35.79 C ATOM 1514 HG1 THR B 37 17.402 -19.169 -31.873 1.00 0.00 H ATOM 1515 H THR B 37 17.692 -17.300 -34.289 1.00 0.00 H ATOM 1516 N VAL B 38 16.348 -21.094 -34.383 1.00 26.91 N ATOM 1517 CA VAL B 38 15.027 -21.669 -34.156 1.00 28.04 C ATOM 1518 C VAL B 38 15.194 -22.893 -33.266 1.00 26.60 C ATOM 1519 O VAL B 38 15.929 -23.823 -33.623 1.00 28.15 O ATOM 1520 CB VAL B 38 14.350 -22.061 -35.474 1.00 29.26 C ATOM 1521 CG1 VAL B 38 13.175 -22.991 -35.209 1.00 28.36 C ATOM 1522 CG2 VAL B 38 13.938 -20.813 -36.285 1.00 27.21 C ATOM 1523 H VAL B 38 17.088 -21.699 -34.793 1.00 0.00 H ATOM 1524 N GLU B 39 14.511 -22.902 -32.120 1.00 24.30 N ATOM 1525 CA GLU B 39 14.481 -24.042 -31.203 1.00 29.22 C ATOM 1526 C GLU B 39 13.033 -24.513 -31.167 1.00 26.87 C ATOM 1527 O GLU B 39 12.183 -23.873 -30.546 1.00 26.25 O ATOM 1528 CB GLU B 39 14.990 -23.657 -29.816 1.00 27.44 C ATOM 1529 CG GLU B 39 16.472 -23.386 -29.775 1.00 33.97 C ATOM 1530 CD GLU B 39 16.906 -22.797 -28.454 1.00 37.01 C ATOM 1531 OE1 GLU B 39 17.212 -23.588 -27.531 1.00 35.27 O ATOM 1532 OE2 GLU B 39 16.925 -21.552 -28.335 1.00 38.64 O ATOM 1533 H GLU B 39 13.970 -22.052 -31.864 1.00 0.00 H ATOM 1534 N ASP B 40 12.742 -25.613 -31.847 1.00 23.85 N ATOM 1535 CA ASP B 40 11.348 -25.979 -32.099 1.00 22.42 C ATOM 1536 C ASP B 40 11.282 -27.486 -32.371 1.00 26.68 C ATOM 1537 O ASP B 40 11.637 -27.944 -33.441 1.00 28.43 O ATOM 1538 CB ASP B 40 10.800 -25.139 -33.289 1.00 23.00 C ATOM 1539 CG ASP B 40 9.351 -25.498 -33.684 1.00 26.31 C ATOM 1540 OD1 ASP B 40 8.803 -26.497 -33.173 1.00 27.60 O ATOM 1541 OD2 ASP B 40 8.767 -24.784 -34.541 1.00 23.12 O ATOM 1542 H ASP B 40 13.508 -26.219 -32.203 1.00 0.00 H ATOM 1543 N PRO B 41 10.851 -28.269 -31.372 1.00 26.97 N ATOM 1544 CA PRO B 41 10.421 -27.804 -30.039 1.00 24.70 C ATOM 1545 C PRO B 41 11.583 -27.362 -29.149 1.00 24.84 C ATOM 1546 O PRO B 41 12.707 -27.858 -29.253 1.00 27.04 O ATOM 1547 CB PRO B 41 9.744 -29.031 -29.438 1.00 25.67 C ATOM 1548 CG PRO B 41 10.435 -30.216 -30.121 1.00 31.31 C ATOM 1549 CD PRO B 41 10.779 -29.734 -31.526 1.00 29.13 C ATOM 1550 N PHE B 42 11.312 -26.422 -28.254 1.00 23.66 N ATOM 1551 CA PHE B 42 12.304 -26.116 -27.239 1.00 26.41 C ATOM 1552 C PHE B 42 12.736 -27.403 -26.542 1.00 27.71 C ATOM 1553 O PHE B 42 11.905 -28.224 -26.149 1.00 27.88 O ATOM 1554 CB PHE B 42 11.756 -25.113 -26.222 1.00 24.23 C ATOM 1555 CG PHE B 42 12.818 -24.545 -25.336 1.00 25.64 C ATOM 1556 CD1 PHE B 42 13.693 -23.583 -25.828 1.00 25.97 C ATOM 1557 CD2 PHE B 42 12.996 -25.017 -24.035 1.00 27.46 C ATOM 1558 CE1 PHE B 42 14.708 -23.072 -25.016 1.00 31.02 C ATOM 1559 CE2 PHE B 42 13.991 -24.518 -23.239 1.00 34.90 C ATOM 1560 CZ PHE B 42 14.842 -23.539 -23.724 1.00 29.94 C ATOM 1561 H PHE B 42 10.405 -25.913 -28.279 1.00 0.00 H ATOM 1562 N GLY B 43 14.042 -27.576 -26.400 1.00 30.14 N ATOM 1563 CA GLY B 43 14.641 -28.806 -25.917 1.00 33.28 C ATOM 1564 C GLY B 43 15.441 -29.528 -26.977 1.00 36.16 C ATOM 1565 O GLY B 43 16.289 -30.368 -26.646 1.00 38.52 O ATOM 1566 H GLY B 43 14.672 -26.787 -26.648 1.00 0.00 H ATOM 1567 N GLN B 44 15.207 -29.211 -28.217 1.00 33.61 N ATOM 1568 CA GLN B 44 15.951 -29.745 -29.350 1.00 37.14 C ATOM 1569 C GLN B 44 17.104 -28.820 -29.719 1.00 39.84 C ATOM 1570 O GLN B 44 17.088 -27.623 -29.406 1.00 36.99 O ATOM 1571 CB GLN B 44 15.016 -29.913 -30.537 1.00 33.72 C ATOM 1572 CG GLN B 44 13.957 -30.976 -30.330 1.00 47.47 C ATOM 1573 CD GLN B 44 14.564 -32.318 -29.994 1.00 57.19 C ATOM 1574 OE1 GLN B 44 15.392 -32.844 -30.743 1.00 62.60 O ATOM 1575 NE2 GLN B 44 14.168 -32.877 -28.852 1.00 62.64 N ATOM 1576 HE22 GLN B 44 13.467 -32.396 -28.253 1.00 0.00 H ATOM 1577 HE21 GLN B 44 14.560 -33.795 -28.559 1.00 0.00 H ATOM 1578 H GLN B 44 14.441 -28.534 -28.411 1.00 0.00 H ATOM 1579 N PRO B 45 18.136 -29.346 -30.376 1.00 44.41 N ATOM 1580 CA PRO B 45 19.263 -28.500 -30.789 1.00 46.72 C ATOM 1581 C PRO B 45 18.812 -27.366 -31.681 1.00 42.39 C ATOM 1582 O PRO B 45 17.867 -27.516 -32.477 1.00 39.25 O ATOM 1583 CB PRO B 45 20.171 -29.486 -31.540 1.00 49.46 C ATOM 1584 CG PRO B 45 19.900 -30.791 -30.856 1.00 51.47 C ATOM 1585 CD PRO B 45 18.404 -30.772 -30.620 1.00 49.02 C ATOM 1586 N PRO B 46 19.446 -26.199 -31.578 1.00 41.75 N ATOM 1587 CA PRO B 46 19.031 -25.039 -32.380 1.00 38.45 C ATOM 1588 C PRO B 46 19.351 -25.197 -33.866 1.00 36.31 C ATOM 1589 O PRO B 46 20.334 -25.827 -34.255 1.00 40.36 O ATOM 1590 CB PRO B 46 19.829 -23.879 -31.772 1.00 37.98 C ATOM 1591 CG PRO B 46 20.283 -24.392 -30.410 1.00 43.37 C ATOM 1592 CD PRO B 46 20.460 -25.854 -30.564 1.00 45.18 C ATOM 1593 N ILE B 47 18.506 -24.592 -34.691 1.00 33.78 N ATOM 1594 CA ILE B 47 18.685 -24.526 -36.142 1.00 37.72 C ATOM 1595 C ILE B 47 19.199 -23.135 -36.484 1.00 39.26 C ATOM 1596 O ILE B 47 18.598 -22.131 -36.079 1.00 33.46 O ATOM 1597 CB ILE B 47 17.360 -24.809 -36.869 1.00 39.30 C ATOM 1598 CG1 ILE B 47 16.854 -26.205 -36.532 1.00 46.58 C ATOM 1599 CG2 ILE B 47 17.510 -24.661 -38.362 1.00 43.06 C ATOM 1600 CD1 ILE B 47 15.479 -26.499 -37.100 1.00 48.91 C ATOM 1601 H ILE B 47 17.665 -24.137 -34.282 1.00 0.00 H ATOM 1602 N HIS B 48 20.315 -23.074 -37.201 1.00 38.71 N ATOM 1603 CA HIS B 48 20.947 -21.838 -37.637 1.00 43.12 C ATOM 1604 C HIS B 48 21.004 -21.866 -39.158 1.00 46.06 C ATOM 1605 O HIS B 48 21.196 -22.931 -39.745 1.00 41.28 O ATOM 1606 CB HIS B 48 22.399 -21.696 -37.127 1.00 51.43 C ATOM 1607 CG HIS B 48 22.545 -21.651 -35.638 1.00 60.44 C ATOM 1608 ND1 HIS B 48 21.475 -21.533 -34.775 1.00 63.54 N ATOM 1609 CD2 HIS B 48 23.654 -21.692 -34.858 1.00 64.06 C ATOM 1610 CE1 HIS B 48 21.919 -21.520 -33.528 1.00 63.65 C ATOM 1611 NE2 HIS B 48 23.238 -21.606 -33.552 1.00 62.40 N ATOM 1612 H HIS B 48 20.768 -23.971 -37.469 1.00 0.00 H ATOM 1613 N GLY B 49 20.855 -20.715 -39.787 1.00 39.31 N ATOM 1614 CA GLY B 49 21.107 -20.686 -41.219 1.00 45.49 C ATOM 1615 C GLY B 49 19.820 -20.544 -42.005 1.00 46.41 C ATOM 1616 O GLY B 49 18.822 -21.220 -41.733 1.00 45.08 O ATOM 1617 H GLY B 49 20.567 -19.857 -39.275 1.00 0.00 H ATOM 1618 N ARG B 50 19.844 -19.664 -43.000 1.00 43.01 N ATOM 1619 CA ARG B 50 18.613 -19.362 -43.714 1.00 38.23 C ATOM 1620 C ARG B 50 18.079 -20.589 -44.445 1.00 36.41 C ATOM 1621 O ARG B 50 16.893 -20.923 -44.323 1.00 37.74 O ATOM 1622 CB ARG B 50 18.848 -18.205 -44.668 1.00 39.24 C ATOM 1623 CG ARG B 50 17.625 -17.368 -44.816 1.00 40.90 C ATOM 1624 CD ARG B 50 17.961 -16.115 -45.542 1.00 47.75 C ATOM 1625 NE ARG B 50 18.385 -15.091 -44.616 1.00 48.11 N ATOM 1626 CZ ARG B 50 17.540 -14.434 -43.837 1.00 45.74 C ATOM 1627 NH1 ARG B 50 16.248 -14.720 -43.893 1.00 43.76 N ATOM 1628 NH2 ARG B 50 17.986 -13.501 -43.010 1.00 46.90 N ATOM 1629 HE ARG B 50 19.397 -14.860 -44.559 1.00 0.00 H ATOM 1630 HH12 ARG B 50 15.576 -14.210 -43.285 1.00 0.00 H ATOM 1631 HH11 ARG B 50 15.906 -15.455 -44.545 1.00 0.00 H ATOM 1632 HH22 ARG B 50 17.320 -12.986 -42.399 1.00 0.00 H ATOM 1633 HH21 ARG B 50 19.002 -13.283 -42.971 1.00 0.00 H ATOM 1634 H ARG B 50 20.734 -19.196 -43.266 1.00 0.00 H ATOM 1635 N GLU B 51 18.943 -21.290 -45.192 1.00 36.10 N ATOM 1636 CA GLU B 51 18.511 -22.512 -45.876 1.00 37.03 C ATOM 1637 C GLU B 51 17.970 -23.533 -44.876 1.00 37.10 C ATOM 1638 O GLU B 51 17.018 -24.262 -45.180 1.00 36.66 O ATOM 1639 CB GLU B 51 19.653 -23.135 -46.696 1.00 40.78 C ATOM 1640 CG GLU B 51 19.224 -24.408 -47.480 1.00 47.33 C ATOM 1641 CD GLU B 51 20.394 -25.190 -48.147 1.00 62.03 C ATOM 1642 OE1 GLU B 51 21.570 -24.991 -47.766 1.00 68.94 O ATOM 1643 OE2 GLU B 51 20.147 -26.015 -49.065 1.00 64.26 O ATOM 1644 H GLU B 51 19.926 -20.965 -45.287 1.00 0.00 H ATOM 1645 N GLN B 52 18.592 -23.635 -43.697 1.00 36.69 N ATOM 1646 CA GLN B 52 18.151 -24.621 -42.702 1.00 35.55 C ATOM 1647 C GLN B 52 16.775 -24.269 -42.153 1.00 31.31 C ATOM 1648 O GLN B 52 15.909 -25.140 -42.011 1.00 31.34 O ATOM 1649 CB GLN B 52 19.165 -24.729 -41.555 1.00 34.05 C ATOM 1650 CG GLN B 52 20.473 -25.429 -41.935 1.00 49.25 C ATOM 1651 CD GLN B 52 21.186 -24.737 -43.097 1.00 55.46 C ATOM 1652 OE1 GLN B 52 21.316 -23.505 -43.117 1.00 57.19 O ATOM 1653 NE2 GLN B 52 21.634 -25.526 -44.079 1.00 59.82 N ATOM 1654 HE22 GLN B 52 21.502 -26.556 -44.019 1.00 0.00 H ATOM 1655 HE21 GLN B 52 22.114 -25.110 -44.902 1.00 0.00 H ATOM 1656 H GLN B 52 19.395 -23.010 -43.483 1.00 0.00 H ATOM 1657 N ILE B 53 16.540 -22.988 -41.890 1.00 29.59 N ATOM 1658 CA ILE B 53 15.222 -22.565 -41.429 1.00 29.54 C ATOM 1659 C ILE B 53 14.185 -22.790 -42.524 1.00 30.43 C ATOM 1660 O ILE B 53 13.064 -23.251 -42.254 1.00 29.43 O ATOM 1661 CB ILE B 53 15.285 -21.097 -40.972 1.00 29.89 C ATOM 1662 CG1 ILE B 53 16.256 -20.956 -39.792 1.00 30.61 C ATOM 1663 CG2 ILE B 53 13.910 -20.559 -40.673 1.00 26.57 C ATOM 1664 CD1 ILE B 53 16.346 -19.540 -39.241 1.00 30.08 C ATOM 1665 H ILE B 53 17.297 -22.286 -42.013 1.00 0.00 H ATOM 1666 N ALA B 54 14.557 -22.512 -43.791 1.00 30.35 N ATOM 1667 CA ALA B 54 13.622 -22.752 -44.873 1.00 31.20 C ATOM 1668 C ALA B 54 13.302 -24.234 -44.972 1.00 33.12 C ATOM 1669 O ALA B 54 12.142 -24.615 -45.133 1.00 33.45 O ATOM 1670 CB ALA B 54 14.177 -22.220 -46.203 1.00 39.15 C ATOM 1671 H ALA B 54 15.504 -22.130 -43.989 1.00 0.00 H ATOM 1672 N ALA B 55 14.315 -25.089 -44.866 1.00 34.25 N ATOM 1673 CA ALA B 55 14.055 -26.521 -44.948 1.00 38.90 C ATOM 1674 C ALA B 55 13.138 -26.956 -43.826 1.00 35.47 C ATOM 1675 O ALA B 55 12.269 -27.817 -44.016 1.00 36.05 O ATOM 1676 CB ALA B 55 15.366 -27.304 -44.893 1.00 38.96 C ATOM 1677 H ALA B 55 15.284 -24.739 -44.726 1.00 0.00 H ATOM 1678 N PHE B 56 13.298 -26.341 -42.662 1.00 32.03 N ATOM 1679 CA PHE B 56 12.500 -26.735 -41.512 1.00 30.67 C ATOM 1680 C PHE B 56 11.034 -26.397 -41.746 1.00 32.23 C ATOM 1681 O PHE B 56 10.149 -27.243 -41.530 1.00 30.87 O ATOM 1682 CB PHE B 56 13.069 -26.066 -40.262 1.00 29.89 C ATOM 1683 CG PHE B 56 12.217 -26.238 -39.038 1.00 31.18 C ATOM 1684 CD1 PHE B 56 12.215 -27.435 -38.344 1.00 36.26 C ATOM 1685 CD2 PHE B 56 11.411 -25.215 -38.600 1.00 30.51 C ATOM 1686 CE1 PHE B 56 11.428 -27.593 -37.215 1.00 32.66 C ATOM 1687 CE2 PHE B 56 10.624 -25.368 -37.458 1.00 29.17 C ATOM 1688 CZ PHE B 56 10.623 -26.545 -36.788 1.00 24.71 C ATOM 1689 H PHE B 56 13.996 -25.575 -42.571 1.00 0.00 H ATOM 1690 N TYR B 57 10.760 -25.185 -42.261 1.00 30.54 N ATOM 1691 CA TYR B 57 9.372 -24.822 -42.547 1.00 28.59 C ATOM 1692 C TYR B 57 8.814 -25.584 -43.753 1.00 33.79 C ATOM 1693 O TYR B 57 7.626 -25.924 -43.761 1.00 33.27 O ATOM 1694 CB TYR B 57 9.247 -23.308 -42.742 1.00 31.75 C ATOM 1695 CG TYR B 57 9.234 -22.577 -41.390 1.00 24.17 C ATOM 1696 CD1 TYR B 57 8.047 -22.417 -40.673 1.00 22.99 C ATOM 1697 CD2 TYR B 57 10.400 -22.087 -40.831 1.00 27.68 C ATOM 1698 CE1 TYR B 57 8.020 -21.768 -39.427 1.00 23.40 C ATOM 1699 CE2 TYR B 57 10.394 -21.431 -39.560 1.00 23.05 C ATOM 1700 CZ TYR B 57 9.188 -21.272 -38.879 1.00 20.84 C ATOM 1701 OH TYR B 57 9.126 -20.645 -37.660 1.00 20.10 O ATOM 1702 HH TYR B 57 8.188 -20.633 -37.344 1.00 0.00 H ATOM 1703 H TYR B 57 11.529 -24.512 -42.454 1.00 0.00 H ATOM 1704 N ARG B 58 9.647 -25.882 -44.756 1.00 33.77 N ATOM 1705 CA ARG B 58 9.209 -26.738 -45.865 1.00 41.23 C ATOM 1706 C ARG B 58 8.729 -28.079 -45.337 1.00 46.36 C ATOM 1707 O ARG B 58 7.647 -28.554 -45.701 1.00 40.48 O ATOM 1708 CB ARG B 58 10.335 -26.954 -46.883 1.00 44.49 C ATOM 1709 CG ARG B 58 10.779 -25.707 -47.610 1.00 44.78 C ATOM 1710 CD ARG B 58 11.264 -25.977 -49.023 1.00 55.36 C ATOM 1711 NE ARG B 58 12.049 -24.840 -49.501 1.00 62.33 N ATOM 1712 CZ ARG B 58 13.322 -24.620 -49.168 1.00 64.92 C ATOM 1713 NH1 ARG B 58 13.961 -25.466 -48.364 1.00 63.17 N ATOM 1714 NH2 ARG B 58 13.964 -23.554 -49.640 1.00 64.09 N ATOM 1715 HE ARG B 58 11.587 -24.161 -50.139 1.00 0.00 H ATOM 1716 HH12 ARG B 58 14.953 -25.290 -48.107 1.00 0.00 H ATOM 1717 HH11 ARG B 58 13.468 -26.303 -47.992 1.00 0.00 H ATOM 1718 HH22 ARG B 58 14.956 -23.386 -49.378 1.00 0.00 H ATOM 1719 HH21 ARG B 58 13.473 -22.889 -50.271 1.00 0.00 H ATOM 1720 H ARG B 58 10.616 -25.503 -44.750 1.00 0.00 H ATOM 1721 N GLN B 59 9.518 -28.696 -44.449 1.00 42.30 N ATOM 1722 CA GLN B 59 9.133 -30.000 -43.925 1.00 47.63 C ATOM 1723 C GLN B 59 7.873 -29.899 -43.082 1.00 41.47 C ATOM 1724 O GLN B 59 7.017 -30.787 -43.130 1.00 45.91 O ATOM 1725 CB GLN B 59 10.270 -30.602 -43.101 1.00 54.02 C ATOM 1726 CG GLN B 59 9.895 -31.895 -42.406 1.00 63.54 C ATOM 1727 CD GLN B 59 10.305 -31.906 -40.946 1.00 71.03 C ATOM 1728 OE1 GLN B 59 9.520 -31.551 -40.060 1.00 73.23 O ATOM 1729 NE2 GLN B 59 11.545 -32.306 -40.686 1.00 74.08 N ATOM 1730 HE22 GLN B 59 12.172 -32.596 -41.464 1.00 0.00 H ATOM 1731 HE21 GLN B 59 11.889 -32.329 -39.705 1.00 0.00 H ATOM 1732 H GLN B 59 10.402 -28.247 -44.135 1.00 0.00 H ATOM 1733 N GLY B 60 7.718 -28.817 -42.340 1.00 35.15 N ATOM 1734 CA GLY B 60 6.559 -28.708 -41.469 1.00 38.02 C ATOM 1735 C GLY B 60 5.261 -28.351 -42.167 1.00 39.73 C ATOM 1736 O GLY B 60 4.188 -28.835 -41.797 1.00 41.94 O ATOM 1737 H GLY B 60 8.419 -28.050 -42.379 1.00 0.00 H ATOM 1738 N LEU B 61 5.343 -27.490 -43.177 1.00 36.97 N ATOM 1739 CA LEU B 61 4.171 -26.891 -43.785 1.00 35.82 C ATOM 1740 C LEU B 61 4.008 -27.268 -45.248 1.00 41.62 C ATOM 1741 O LEU B 61 2.993 -26.905 -45.854 1.00 42.61 O ATOM 1742 CB LEU B 61 4.237 -25.361 -43.664 1.00 33.06 C ATOM 1743 CG LEU B 61 4.450 -24.752 -42.285 1.00 32.65 C ATOM 1744 CD1 LEU B 61 4.696 -23.251 -42.400 1.00 30.81 C ATOM 1745 CD2 LEU B 61 3.254 -25.056 -41.408 1.00 29.50 C ATOM 1746 H LEU B 61 6.282 -27.237 -43.544 1.00 0.00 H ATOM 1747 N GLY B 62 4.966 -27.999 -45.823 1.00 41.14 N ATOM 1748 CA GLY B 62 5.051 -28.226 -47.262 1.00 51.61 C ATOM 1749 C GLY B 62 3.862 -28.932 -47.883 1.00 59.81 C ATOM 1750 O GLY B 62 3.848 -29.108 -49.108 1.00 65.11 O ATOM 1751 H GLY B 62 5.690 -28.429 -45.213 1.00 0.00 H ATOM 1752 N GLY B 63 2.879 -29.346 -47.089 1.00 63.85 N ATOM 1753 CA GLY B 63 1.686 -29.971 -47.623 1.00 72.64 C ATOM 1754 C GLY B 63 0.515 -29.044 -47.882 1.00 76.32 C ATOM 1755 O GLY B 63 -0.495 -29.478 -48.445 1.00 79.13 O ATOM 1756 H GLY B 63 2.969 -29.218 -46.061 1.00 0.00 H ATOM 1757 N GLY B 64 0.611 -27.776 -47.476 1.00 72.58 N ATOM 1758 CA GLY B 64 -0.433 -26.797 -47.710 1.00 71.02 C ATOM 1759 C GLY B 64 -1.668 -26.911 -46.840 1.00 68.77 C ATOM 1760 O GLY B 64 -2.519 -26.012 -46.889 1.00 74.39 O ATOM 1761 H GLY B 64 1.470 -27.478 -46.971 1.00 0.00 H ATOM 1762 N LYS B 65 -1.807 -27.976 -46.048 1.00 59.70 N ATOM 1763 CA LYS B 65 -3.021 -28.200 -45.273 1.00 53.32 C ATOM 1764 C LYS B 65 -2.887 -27.808 -43.808 1.00 46.45 C ATOM 1765 O LYS B 65 -3.887 -27.848 -43.091 1.00 51.81 O ATOM 1766 CB LYS B 65 -3.454 -29.669 -45.351 1.00 54.70 C ATOM 1767 CG LYS B 65 -2.302 -30.651 -45.485 1.00 60.79 C ATOM 1768 CD LYS B 65 -1.203 -30.362 -44.475 1.00 58.74 C ATOM 1769 CE LYS B 65 0.165 -30.619 -45.089 1.00 50.33 C ATOM 1770 NZ LYS B 65 1.290 -30.215 -44.190 1.00 54.86 N ATOM 1771 HZ1 LYS B 65 1.220 -29.198 -43.984 1.00 0.00 H ATOM 1772 HZ2 LYS B 65 1.234 -30.754 -43.302 1.00 0.00 H ATOM 1773 HZ3 LYS B 65 2.196 -30.413 -44.660 1.00 0.00 H ATOM 1774 H LYS B 65 -1.029 -28.664 -45.982 1.00 0.00 H ATOM 1775 N VAL B 66 -1.686 -27.460 -43.346 1.00 42.86 N ATOM 1776 CA VAL B 66 -1.526 -27.038 -41.964 1.00 39.25 C ATOM 1777 C VAL B 66 -2.260 -25.727 -41.748 1.00 39.90 C ATOM 1778 O VAL B 66 -2.160 -24.800 -42.560 1.00 37.77 O ATOM 1779 CB VAL B 66 -0.036 -26.885 -41.621 1.00 38.36 C ATOM 1780 CG1 VAL B 66 0.118 -26.216 -40.284 1.00 40.63 C ATOM 1781 CG2 VAL B 66 0.658 -28.242 -41.656 1.00 40.14 C ATOM 1782 H VAL B 66 -0.860 -27.491 -43.977 1.00 0.00 H ATOM 1783 N ARG B 67 -2.995 -25.629 -40.641 1.00 36.75 N ATOM 1784 CA ARG B 67 -3.651 -24.382 -40.290 1.00 35.26 C ATOM 1785 C ARG B 67 -3.170 -23.945 -38.907 1.00 33.82 C ATOM 1786 O ARG B 67 -2.691 -24.763 -38.125 1.00 30.99 O ATOM 1787 CB ARG B 67 -5.170 -24.521 -40.329 1.00 38.28 C ATOM 1788 CG ARG B 67 -5.728 -24.664 -41.776 1.00 44.86 C ATOM 1789 CD ARG B 67 -6.497 -23.401 -42.201 1.00 55.26 C ATOM 1790 NE ARG B 67 -7.822 -23.343 -41.571 1.00 65.81 N ATOM 1791 CZ ARG B 67 -8.840 -22.588 -41.994 1.00 72.60 C ATOM 1792 NH1 ARG B 67 -8.696 -21.804 -43.055 1.00 69.38 N ATOM 1793 NH2 ARG B 67 -10.010 -22.621 -41.356 1.00 77.54 N ATOM 1794 HE ARG B 67 -7.980 -23.935 -40.731 1.00 0.00 H ATOM 1795 HH12 ARG B 67 -9.491 -21.218 -43.380 1.00 0.00 H ATOM 1796 HH11 ARG B 67 -7.788 -21.775 -43.561 1.00 0.00 H ATOM 1797 HH22 ARG B 67 -10.800 -22.032 -41.688 1.00 0.00 H ATOM 1798 HH21 ARG B 67 -10.133 -23.236 -40.526 1.00 0.00 H ATOM 1799 H ARG B 67 -3.100 -26.457 -40.020 1.00 0.00 H ATOM 1800 N ALA B 68 -3.251 -22.643 -38.633 1.00 29.57 N ATOM 1801 CA ALA B 68 -2.713 -22.104 -37.380 1.00 26.34 C ATOM 1802 C ALA B 68 -3.485 -20.860 -36.987 1.00 30.68 C ATOM 1803 O ALA B 68 -3.729 -19.997 -37.822 1.00 26.29 O ATOM 1804 CB ALA B 68 -1.227 -21.748 -37.510 1.00 24.10 C ATOM 1805 H ALA B 68 -3.701 -22.001 -39.316 1.00 0.00 H ATOM 1806 N CYS B 69 -3.854 -20.747 -35.711 1.00 27.25 N ATOM 1807 CA CYS B 69 -4.549 -19.538 -35.293 1.00 23.92 C ATOM 1808 C CYS B 69 -4.155 -19.208 -33.867 1.00 23.47 C ATOM 1809 O CYS B 69 -3.944 -20.112 -33.050 1.00 22.61 O ATOM 1810 CB CYS B 69 -6.067 -19.666 -35.354 1.00 34.12 C ATOM 1811 SG CYS B 69 -6.716 -21.146 -34.564 1.00 47.10 S ATOM 1812 H CYS B 69 -3.650 -21.506 -35.029 1.00 0.00 H ATOM 1813 N LEU B 70 -4.048 -17.909 -33.597 1.00 20.34 N ATOM 1814 CA LEU B 70 -3.856 -17.429 -32.228 1.00 18.39 C ATOM 1815 C LEU B 70 -5.005 -17.892 -31.356 1.00 23.89 C ATOM 1816 O LEU B 70 -6.163 -17.876 -31.780 1.00 25.82 O ATOM 1817 CB LEU B 70 -3.788 -15.898 -32.220 1.00 18.86 C ATOM 1818 CG LEU B 70 -2.422 -15.299 -32.551 1.00 19.65 C ATOM 1819 CD1 LEU B 70 -2.611 -13.804 -32.800 1.00 24.63 C ATOM 1820 CD2 LEU B 70 -1.407 -15.550 -31.437 1.00 20.25 C ATOM 1821 H LEU B 70 -4.102 -17.221 -34.375 1.00 0.00 H ATOM 1822 N THR B 71 -4.684 -18.335 -30.136 1.00 22.84 N ATOM 1823 CA THR B 71 -5.708 -18.731 -29.172 1.00 24.62 C ATOM 1824 C THR B 71 -5.849 -17.710 -28.062 1.00 22.97 C ATOM 1825 O THR B 71 -6.676 -17.885 -27.162 1.00 27.22 O ATOM 1826 CB THR B 71 -5.391 -20.109 -28.574 1.00 26.08 C ATOM 1827 OG1 THR B 71 -4.056 -20.096 -28.065 1.00 24.84 O ATOM 1828 CG2 THR B 71 -5.522 -21.201 -29.644 1.00 26.12 C ATOM 1829 HG1 THR B 71 -3.843 -20.982 -27.677 1.00 0.00 H ATOM 1830 H THR B 71 -3.681 -18.399 -29.867 1.00 0.00 H ATOM 1831 N GLY B 72 -5.071 -16.639 -28.121 1.00 19.95 N ATOM 1832 CA GLY B 72 -5.154 -15.544 -27.194 1.00 19.47 C ATOM 1833 C GLY B 72 -4.218 -14.459 -27.675 1.00 22.98 C ATOM 1834 O GLY B 72 -3.536 -14.617 -28.696 1.00 21.84 O ATOM 1835 H GLY B 72 -4.361 -16.588 -28.880 1.00 0.00 H ATOM 1836 N PRO B 73 -4.166 -13.331 -26.964 1.00 24.49 N ATOM 1837 CA PRO B 73 -3.382 -12.179 -27.455 1.00 21.93 C ATOM 1838 C PRO B 73 -1.872 -12.393 -27.373 1.00 18.95 C ATOM 1839 O PRO B 73 -1.360 -13.163 -26.544 1.00 18.32 O ATOM 1840 CB PRO B 73 -3.834 -11.033 -26.531 1.00 24.15 C ATOM 1841 CG PRO B 73 -4.343 -11.748 -25.230 1.00 24.99 C ATOM 1842 CD PRO B 73 -4.960 -13.025 -25.742 1.00 24.93 C ATOM 1843 N VAL B 74 -1.138 -11.698 -28.246 1.00 13.71 N ATOM 1844 CA VAL B 74 0.313 -11.644 -28.069 1.00 13.85 C ATOM 1845 C VAL B 74 0.632 -10.878 -26.792 1.00 17.07 C ATOM 1846 O VAL B 74 0.129 -9.766 -26.580 1.00 19.18 O ATOM 1847 CB VAL B 74 1.002 -10.974 -29.264 1.00 14.88 C ATOM 1848 CG1 VAL B 74 2.520 -10.939 -29.081 1.00 15.39 C ATOM 1849 CG2 VAL B 74 0.621 -11.652 -30.602 1.00 16.36 C ATOM 1850 H VAL B 74 -1.591 -11.202 -29.040 1.00 0.00 H ATOM 1851 N ARG B 75 1.521 -11.444 -25.977 1.00 13.24 N ATOM 1852 CA ARG B 75 2.122 -10.760 -24.827 1.00 14.98 C ATOM 1853 C ARG B 75 3.453 -10.155 -25.272 1.00 17.16 C ATOM 1854 O ARG B 75 4.358 -10.883 -25.668 1.00 24.73 O ATOM 1855 CB ARG B 75 2.352 -11.735 -23.665 1.00 14.09 C ATOM 1856 CG ARG B 75 1.134 -12.120 -22.837 1.00 16.11 C ATOM 1857 CD ARG B 75 0.037 -12.874 -23.592 1.00 17.20 C ATOM 1858 NE ARG B 75 -0.817 -13.540 -22.605 1.00 17.74 N ATOM 1859 CZ ARG B 75 -1.853 -14.316 -22.897 1.00 16.76 C ATOM 1860 NH1 ARG B 75 -2.178 -14.515 -24.166 1.00 14.81 N ATOM 1861 NH2 ARG B 75 -2.565 -14.884 -21.935 1.00 16.74 N ATOM 1862 HE ARG B 75 -0.594 -13.393 -21.600 1.00 0.00 H ATOM 1863 HH12 ARG B 75 -2.988 -15.121 -24.406 1.00 0.00 H ATOM 1864 HH11 ARG B 75 -1.623 -14.065 -24.922 1.00 0.00 H ATOM 1865 HH22 ARG B 75 -3.375 -15.490 -22.176 1.00 0.00 H ATOM 1866 HH21 ARG B 75 -2.314 -14.724 -20.939 1.00 0.00 H ATOM 1867 H ARG B 75 1.805 -12.426 -26.167 1.00 0.00 H ATOM 1868 N ALA B 76 3.596 -8.836 -25.188 1.00 13.49 N ATOM 1869 CA ALA B 76 4.777 -8.196 -25.754 1.00 17.16 C ATOM 1870 C ALA B 76 5.545 -7.424 -24.701 1.00 18.78 C ATOM 1871 O ALA B 76 4.939 -6.774 -23.846 1.00 22.56 O ATOM 1872 CB ALA B 76 4.383 -7.224 -26.904 1.00 18.48 C ATOM 1873 H ALA B 76 2.867 -8.262 -24.719 1.00 0.00 H ATOM 1874 N SER B 77 6.876 -7.455 -24.795 1.00 18.52 N ATOM 1875 CA SER B 77 7.747 -6.751 -23.862 1.00 21.77 C ATOM 1876 C SER B 77 8.179 -5.431 -24.485 1.00 23.40 C ATOM 1877 O SER B 77 7.805 -5.097 -25.615 1.00 21.13 O ATOM 1878 CB SER B 77 8.977 -7.590 -23.508 1.00 25.30 C ATOM 1879 OG SER B 77 9.946 -7.476 -24.560 1.00 31.40 O ATOM 1880 HG SER B 77 10.743 -8.018 -24.333 1.00 0.00 H ATOM 1881 H SER B 77 7.309 -8.004 -25.565 1.00 0.00 H ATOM 1882 N HIS B 78 8.976 -4.669 -23.731 1.00 22.71 N ATOM 1883 CA HIS B 78 9.526 -3.422 -24.235 1.00 23.78 C ATOM 1884 C HIS B 78 10.937 -3.574 -24.737 1.00 25.57 C ATOM 1885 O HIS B 78 11.554 -2.578 -25.111 1.00 33.88 O ATOM 1886 CB HIS B 78 9.466 -2.338 -23.160 1.00 25.63 C ATOM 1887 CG HIS B 78 8.071 -1.895 -22.874 1.00 28.93 C ATOM 1888 ND1 HIS B 78 7.302 -1.241 -23.811 1.00 33.91 N ATOM 1889 CD2 HIS B 78 7.282 -2.061 -21.790 1.00 26.58 C ATOM 1890 CE1 HIS B 78 6.110 -0.988 -23.300 1.00 34.93 C ATOM 1891 NE2 HIS B 78 6.068 -1.485 -22.079 1.00 30.28 N ATOM 1892 H HIS B 78 9.207 -4.974 -22.764 1.00 0.00 H ATOM 1893 N ASN B 79 11.464 -4.787 -24.759 1.00 22.39 N ATOM 1894 CA ASN B 79 12.799 -5.026 -25.280 1.00 22.27 C ATOM 1895 C ASN B 79 12.762 -5.878 -26.543 1.00 23.63 C ATOM 1896 O ASN B 79 13.666 -6.681 -26.777 1.00 23.58 O ATOM 1897 CB ASN B 79 13.689 -5.672 -24.220 1.00 23.03 C ATOM 1898 CG ASN B 79 13.229 -7.053 -23.827 1.00 29.38 C ATOM 1899 OD1 ASN B 79 12.091 -7.452 -24.100 1.00 27.71 O ATOM 1900 ND2 ASN B 79 14.116 -7.799 -23.175 1.00 28.06 N ATOM 1901 HD22 ASN B 79 15.062 -7.420 -22.968 1.00 0.00 H ATOM 1902 HD21 ASN B 79 13.864 -8.761 -22.872 1.00 0.00 H ATOM 1903 H ASN B 79 10.910 -5.588 -24.395 1.00 0.00 H ATOM 1904 N GLY B 80 11.713 -5.720 -27.342 1.00 23.77 N ATOM 1905 CA GLY B 80 11.650 -6.370 -28.647 1.00 22.36 C ATOM 1906 C GLY B 80 11.346 -7.857 -28.618 1.00 24.86 C ATOM 1907 O GLY B 80 11.640 -8.562 -29.602 1.00 23.96 O ATOM 1908 H GLY B 80 10.921 -5.121 -27.032 1.00 0.00 H ATOM 1909 N CYS B 81 10.758 -8.361 -27.529 1.00 18.74 N ATOM 1910 CA CYS B 81 10.398 -9.769 -27.411 1.00 15.95 C ATOM 1911 C CYS B 81 8.905 -9.931 -27.172 1.00 18.93 C ATOM 1912 O CYS B 81 8.199 -8.987 -26.798 1.00 19.69 O ATOM 1913 CB CYS B 81 11.153 -10.463 -26.261 1.00 14.64 C ATOM 1914 SG CYS B 81 12.924 -10.314 -26.365 1.00 21.30 S ATOM 1915 H CYS B 81 10.549 -7.724 -26.734 1.00 0.00 H ATOM 1916 N GLY B 82 8.422 -11.150 -27.383 1.00 18.06 N ATOM 1917 CA GLY B 82 7.005 -11.412 -27.206 1.00 19.35 C ATOM 1918 C GLY B 82 6.781 -12.908 -27.106 1.00 16.87 C ATOM 1919 O GLY B 82 7.667 -13.700 -27.414 1.00 16.47 O ATOM 1920 H GLY B 82 9.060 -11.918 -27.675 1.00 0.00 H ATOM 1921 N ALA B 83 5.579 -13.278 -26.688 1.00 14.93 N ATOM 1922 CA ALA B 83 5.181 -14.679 -26.501 1.00 11.04 C ATOM 1923 C ALA B 83 3.731 -14.769 -26.915 1.00 15.04 C ATOM 1924 O ALA B 83 2.965 -13.842 -26.653 1.00 15.09 O ATOM 1925 CB ALA B 83 5.377 -15.165 -25.046 1.00 11.86 C ATOM 1926 H ALA B 83 4.880 -12.536 -26.481 1.00 0.00 H ATOM 1927 N MET B 84 3.359 -15.859 -27.612 1.00 13.22 N ATOM 1928 CA MET B 84 1.982 -15.965 -28.075 1.00 11.37 C ATOM 1929 C MET B 84 1.503 -17.411 -27.989 1.00 12.01 C ATOM 1930 O MET B 84 2.288 -18.344 -28.237 1.00 14.58 O ATOM 1931 CB MET B 84 1.869 -15.457 -29.533 1.00 12.89 C ATOM 1932 CG MET B 84 2.645 -16.265 -30.554 1.00 16.48 C ATOM 1933 SD MET B 84 2.528 -15.452 -32.163 1.00 18.58 S ATOM 1934 CE MET B 84 3.916 -16.259 -32.981 1.00 17.83 C ATOM 1935 H MET B 84 4.044 -16.614 -27.817 1.00 0.00 H ATOM 1936 N PRO B 85 0.229 -17.619 -27.645 1.00 12.72 N ATOM 1937 CA PRO B 85 -0.346 -18.964 -27.661 1.00 15.83 C ATOM 1938 C PRO B 85 -1.112 -19.209 -28.933 1.00 17.90 C ATOM 1939 O PRO B 85 -1.840 -18.323 -29.389 1.00 17.65 O ATOM 1940 CB PRO B 85 -1.322 -18.934 -26.486 1.00 13.98 C ATOM 1941 CG PRO B 85 -1.853 -17.481 -26.558 1.00 18.02 C ATOM 1942 CD PRO B 85 -0.753 -16.614 -27.196 1.00 14.14 C ATOM 1943 N PHE B 86 -0.991 -20.396 -29.499 1.00 14.73 N ATOM 1944 CA PHE B 86 -1.744 -20.674 -30.709 1.00 16.70 C ATOM 1945 C PHE B 86 -1.975 -22.167 -30.815 1.00 17.68 C ATOM 1946 O PHE B 86 -1.482 -22.961 -30.006 1.00 17.10 O ATOM 1947 CB PHE B 86 -1.046 -20.104 -31.951 1.00 15.36 C ATOM 1948 CG PHE B 86 0.361 -20.624 -32.204 1.00 16.86 C ATOM 1949 CD1 PHE B 86 1.445 -20.120 -31.508 1.00 19.67 C ATOM 1950 CD2 PHE B 86 0.589 -21.559 -33.236 1.00 20.62 C ATOM 1951 CE1 PHE B 86 2.728 -20.586 -31.756 1.00 13.19 C ATOM 1952 CE2 PHE B 86 1.851 -22.013 -33.499 1.00 23.23 C ATOM 1953 CZ PHE B 86 2.928 -21.529 -32.764 1.00 14.01 C ATOM 1954 H PHE B 86 -0.368 -21.119 -29.086 1.00 0.00 H ATOM 1955 N ARG B 87 -2.725 -22.544 -31.837 1.00 18.17 N ATOM 1956 CA ARG B 87 -3.027 -23.936 -32.083 1.00 21.66 C ATOM 1957 C ARG B 87 -2.818 -24.198 -33.568 1.00 27.33 C ATOM 1958 O ARG B 87 -3.114 -23.340 -34.414 1.00 23.00 O ATOM 1959 CB ARG B 87 -4.456 -24.273 -31.671 1.00 25.17 C ATOM 1960 CG ARG B 87 -4.869 -25.727 -31.957 1.00 32.25 C ATOM 1961 CD ARG B 87 -6.338 -25.867 -32.344 1.00 42.71 C ATOM 1962 NE ARG B 87 -7.205 -24.928 -31.633 1.00 51.74 N ATOM 1963 CZ ARG B 87 -7.995 -24.021 -32.217 1.00 55.89 C ATOM 1964 NH1 ARG B 87 -8.054 -23.917 -33.546 1.00 59.58 N ATOM 1965 NH2 ARG B 87 -8.742 -23.219 -31.467 1.00 54.27 N ATOM 1966 HE ARG B 87 -7.207 -24.969 -30.594 1.00 0.00 H ATOM 1967 HH12 ARG B 87 -8.673 -23.206 -33.985 1.00 0.00 H ATOM 1968 HH11 ARG B 87 -7.480 -24.547 -34.143 1.00 0.00 H ATOM 1969 HH22 ARG B 87 -9.358 -22.512 -31.916 1.00 0.00 H ATOM 1970 HH21 ARG B 87 -8.711 -23.298 -30.430 1.00 0.00 H ATOM 1971 H ARG B 87 -3.107 -21.821 -32.480 1.00 0.00 H ATOM 1972 N VAL B 88 -2.269 -25.366 -33.861 1.00 20.88 N ATOM 1973 CA VAL B 88 -1.967 -25.784 -35.219 1.00 22.14 C ATOM 1974 C VAL B 88 -2.783 -27.031 -35.477 1.00 29.08 C ATOM 1975 O VAL B 88 -2.866 -27.907 -34.613 1.00 26.47 O ATOM 1976 CB VAL B 88 -0.465 -26.064 -35.417 1.00 24.45 C ATOM 1977 CG1 VAL B 88 -0.206 -26.549 -36.837 1.00 34.38 C ATOM 1978 CG2 VAL B 88 0.347 -24.802 -35.135 1.00 30.29 C ATOM 1979 H VAL B 88 -2.043 -26.016 -33.081 1.00 0.00 H ATOM 1980 N GLU B 89 -3.402 -27.106 -36.650 1.00 29.74 N ATOM 1981 CA GLU B 89 -4.215 -28.249 -37.019 1.00 29.75 C ATOM 1982 C GLU B 89 -3.597 -28.878 -38.251 1.00 35.57 C ATOM 1983 O GLU B 89 -3.143 -28.170 -39.157 1.00 34.27 O ATOM 1984 CB GLU B 89 -5.676 -27.845 -37.263 1.00 36.73 C ATOM 1985 CG GLU B 89 -6.373 -27.418 -35.947 1.00 44.61 C ATOM 1986 CD GLU B 89 -7.776 -26.887 -36.141 1.00 52.81 C ATOM 1987 OE1 GLU B 89 -8.210 -26.769 -37.304 1.00 56.94 O ATOM 1988 OE2 GLU B 89 -8.440 -26.586 -35.123 1.00 57.97 O ATOM 1989 H GLU B 89 -3.301 -26.321 -37.325 1.00 0.00 H ATOM 1990 N MET B 90 -3.538 -30.205 -38.255 1.00 32.04 N ATOM 1991 CA MET B 90 -2.868 -30.907 -39.342 1.00 37.37 C ATOM 1992 C MET B 90 -3.332 -32.349 -39.301 1.00 37.34 C ATOM 1993 O MET B 90 -4.026 -32.756 -38.376 1.00 37.83 O ATOM 1994 CB MET B 90 -1.344 -30.778 -39.221 1.00 39.58 C ATOM 1995 CG MET B 90 -0.680 -31.666 -38.191 1.00 44.63 C ATOM 1996 SD MET B 90 -0.505 -30.887 -36.579 1.00 52.17 S ATOM 1997 CE MET B 90 -1.970 -31.487 -35.778 1.00 60.94 C ATOM 1998 H MET B 90 -3.972 -30.745 -37.479 1.00 0.00 H ATOM 1999 N VAL B 91 -2.977 -33.121 -40.317 1.00 41.57 N ATOM 2000 CA VAL B 91 -3.304 -34.543 -40.343 1.00 48.67 C ATOM 2001 C VAL B 91 -1.999 -35.316 -40.237 1.00 53.30 C ATOM 2002 O VAL B 91 -1.056 -35.063 -40.996 1.00 59.76 O ATOM 2003 CB VAL B 91 -4.103 -34.937 -41.602 1.00 53.09 C ATOM 2004 CG1 VAL B 91 -5.251 -33.971 -41.814 1.00 53.08 C ATOM 2005 CG2 VAL B 91 -3.212 -34.999 -42.833 1.00 59.69 C ATOM 2006 H VAL B 91 -2.454 -32.705 -41.114 1.00 0.00 H ATOM 2007 N TRP B 92 -1.930 -36.228 -39.273 1.00 48.20 N ATOM 2008 CA TRP B 92 -0.731 -37.017 -38.998 1.00 46.51 C ATOM 2009 C TRP B 92 -1.045 -38.471 -39.336 1.00 50.67 C ATOM 2010 O TRP B 92 -1.750 -39.150 -38.578 1.00 49.35 O ATOM 2011 CB TRP B 92 -0.286 -36.845 -37.541 1.00 43.82 C ATOM 2012 CG TRP B 92 0.791 -37.811 -37.098 1.00 46.27 C ATOM 2013 CD1 TRP B 92 1.941 -38.133 -37.768 1.00 47.97 C ATOM 2014 CD2 TRP B 92 0.812 -38.576 -35.882 1.00 43.82 C ATOM 2015 NE1 TRP B 92 2.674 -39.043 -37.044 1.00 46.48 N ATOM 2016 CE2 TRP B 92 2.001 -39.334 -35.886 1.00 46.77 C ATOM 2017 CE3 TRP B 92 -0.059 -38.691 -34.796 1.00 40.49 C ATOM 2018 CZ2 TRP B 92 2.339 -40.196 -34.846 1.00 52.14 C ATOM 2019 CZ3 TRP B 92 0.277 -39.554 -33.761 1.00 46.63 C ATOM 2020 CH2 TRP B 92 1.466 -40.294 -33.793 1.00 51.47 C ATOM 2021 HE1 TRP B 92 3.590 -39.445 -37.329 1.00 0.00 H ATOM 2022 H TRP B 92 -2.772 -36.388 -38.684 1.00 0.00 H ATOM 2023 N ASN B 93 -0.529 -38.926 -40.486 1.00 52.29 N ATOM 2024 CA ASN B 93 -0.730 -40.287 -40.983 1.00 55.80 C ATOM 2025 C ASN B 93 -2.198 -40.682 -40.920 1.00 56.63 C ATOM 2026 O ASN B 93 -2.552 -41.767 -40.454 1.00 56.34 O ATOM 2027 CB ASN B 93 0.139 -41.292 -40.228 1.00 59.34 C ATOM 2028 CG ASN B 93 1.601 -41.179 -40.593 1.00 61.61 C ATOM 2029 OD1 ASN B 93 1.935 -40.829 -41.717 1.00 63.45 O ATOM 2030 ND2 ASN B 93 2.481 -41.461 -39.641 1.00 60.00 N ATOM 2031 HD22 ASN B 93 2.152 -41.755 -38.699 1.00 0.00 H ATOM 2032 HD21 ASN B 93 3.500 -41.388 -39.837 1.00 0.00 H ATOM 2033 H ASN B 93 0.047 -38.275 -41.057 1.00 0.00 H ATOM 2034 N GLY B 94 -3.063 -39.785 -41.386 1.00 52.31 N ATOM 2035 CA GLY B 94 -4.475 -40.058 -41.469 1.00 54.66 C ATOM 2036 C GLY B 94 -5.283 -39.689 -40.247 1.00 54.44 C ATOM 2037 O GLY B 94 -6.516 -39.640 -40.341 1.00 55.25 O ATOM 2038 H GLY B 94 -2.709 -38.859 -41.700 1.00 0.00 H ATOM 2039 N GLN B 95 -4.634 -39.441 -39.099 1.00 50.11 N ATOM 2040 CA GLN B 95 -5.339 -39.014 -37.895 1.00 48.79 C ATOM 2041 C GLN B 95 -5.367 -37.503 -37.898 1.00 48.30 C ATOM 2042 O GLN B 95 -4.308 -36.871 -37.775 1.00 49.38 O ATOM 2043 CB GLN B 95 -4.632 -39.526 -36.629 1.00 50.30 C ATOM 2044 CG GLN B 95 -4.636 -41.063 -36.399 1.00 51.12 C ATOM 2045 CD GLN B 95 -5.986 -41.613 -35.933 1.00 55.44 C ATOM 2046 OE1 GLN B 95 -6.897 -40.854 -35.603 1.00 53.59 O ATOM 2047 NE2 GLN B 95 -6.112 -42.939 -35.905 1.00 57.71 N ATOM 2048 HE22 GLN B 95 -5.316 -43.543 -36.193 1.00 0.00 H ATOM 2049 HE21 GLN B 95 -7.006 -43.370 -35.595 1.00 0.00 H ATOM 2050 H GLN B 95 -3.601 -39.556 -39.067 1.00 0.00 H ATOM 2051 N PRO B 96 -6.521 -36.852 -38.096 1.00 50.94 N ATOM 2052 CA PRO B 96 -6.592 -35.399 -37.913 1.00 48.62 C ATOM 2053 C PRO B 96 -6.285 -35.003 -36.472 1.00 46.63 C ATOM 2054 O PRO B 96 -6.871 -35.533 -35.522 1.00 42.27 O ATOM 2055 CB PRO B 96 -8.028 -35.062 -38.306 1.00 52.14 C ATOM 2056 CG PRO B 96 -8.319 -36.070 -39.372 1.00 59.70 C ATOM 2057 CD PRO B 96 -7.647 -37.352 -38.911 1.00 59.43 C ATOM 2058 N CYS B 97 -5.368 -34.055 -36.329 1.00 37.83 N ATOM 2059 CA CYS B 97 -4.761 -33.699 -35.061 1.00 37.15 C ATOM 2060 C CYS B 97 -4.715 -32.186 -34.882 1.00 33.18 C ATOM 2061 O CYS B 97 -4.791 -31.406 -35.838 1.00 32.48 O ATOM 2062 CB CYS B 97 -3.344 -34.280 -34.962 1.00 40.72 C ATOM 2063 SG CYS B 97 -3.295 -36.093 -34.792 1.00 53.58 S ATOM 2064 H CYS B 97 -5.066 -33.536 -37.178 1.00 0.00 H ATOM 2065 N ALA B 98 -4.562 -31.781 -33.626 1.00 30.98 N ATOM 2066 CA ALA B 98 -4.313 -30.392 -33.291 1.00 28.47 C ATOM 2067 C ALA B 98 -3.228 -30.353 -32.221 1.00 26.42 C ATOM 2068 O ALA B 98 -3.096 -31.275 -31.416 1.00 29.16 O ATOM 2069 CB ALA B 98 -5.608 -29.705 -32.826 1.00 34.45 C ATOM 2070 H ALA B 98 -4.623 -32.481 -32.860 1.00 0.00 H ATOM 2071 N LEU B 99 -2.448 -29.274 -32.211 1.00 24.05 N ATOM 2072 CA LEU B 99 -1.297 -29.145 -31.332 1.00 23.36 C ATOM 2073 C LEU B 99 -1.295 -27.741 -30.762 1.00 23.88 C ATOM 2074 O LEU B 99 -1.313 -26.770 -31.515 1.00 23.22 O ATOM 2075 CB LEU B 99 0.008 -29.413 -32.083 1.00 25.55 C ATOM 2076 CG LEU B 99 1.299 -29.269 -31.270 1.00 25.00 C ATOM 2077 CD1 LEU B 99 1.466 -30.446 -30.300 1.00 29.33 C ATOM 2078 CD2 LEU B 99 2.514 -29.149 -32.189 1.00 26.61 C ATOM 2079 H LEU B 99 -2.671 -28.491 -32.858 1.00 0.00 H ATOM 2080 N ASP B 100 -1.266 -27.637 -29.440 1.00 21.92 N ATOM 2081 CA ASP B 100 -1.187 -26.349 -28.752 1.00 18.58 C ATOM 2082 C ASP B 100 0.270 -25.941 -28.591 1.00 18.40 C ATOM 2083 O ASP B 100 1.090 -26.732 -28.132 1.00 19.78 O ATOM 2084 CB ASP B 100 -1.860 -26.439 -27.382 1.00 21.33 C ATOM 2085 CG ASP B 100 -3.348 -26.736 -27.471 1.00 28.77 C ATOM 2086 OD1 ASP B 100 -4.045 -26.083 -28.276 1.00 27.60 O ATOM 2087 OD2 ASP B 100 -3.826 -27.622 -26.726 1.00 33.62 O ATOM 2088 H ASP B 100 -1.301 -28.506 -28.870 1.00 0.00 H ATOM 2089 N VAL B 101 0.590 -24.693 -28.938 1.00 17.75 N ATOM 2090 CA VAL B 101 1.976 -24.245 -28.974 1.00 14.35 C ATOM 2091 C VAL B 101 2.043 -22.858 -28.351 1.00 14.32 C ATOM 2092 O VAL B 101 1.072 -22.100 -28.391 1.00 17.24 O ATOM 2093 CB VAL B 101 2.515 -24.195 -30.427 1.00 14.45 C ATOM 2094 CG1 VAL B 101 3.999 -23.813 -30.453 1.00 14.30 C ATOM 2095 CG2 VAL B 101 2.293 -25.544 -31.120 1.00 15.97 C ATOM 2096 H VAL B 101 -0.167 -24.025 -29.188 1.00 0.00 H ATOM 2097 N ILE B 102 3.191 -22.533 -27.759 1.00 14.40 N ATOM 2098 CA ILE B 102 3.528 -21.147 -27.433 1.00 15.63 C ATOM 2099 C ILE B 102 4.862 -20.828 -28.094 1.00 15.29 C ATOM 2100 O ILE B 102 5.831 -21.572 -27.916 1.00 15.00 O ATOM 2101 CB ILE B 102 3.587 -20.880 -25.913 1.00 13.82 C ATOM 2102 CG1 ILE B 102 2.158 -20.689 -25.343 1.00 12.68 C ATOM 2103 CG2 ILE B 102 4.520 -19.666 -25.683 1.00 12.78 C ATOM 2104 CD1 ILE B 102 2.031 -20.687 -23.779 1.00 13.21 C ATOM 2105 H ILE B 102 3.868 -23.286 -27.522 1.00 0.00 H ATOM 2106 N ASP B 103 4.904 -19.724 -28.862 1.00 11.69 N ATOM 2107 CA ASP B 103 6.131 -19.236 -29.481 1.00 11.20 C ATOM 2108 C ASP B 103 6.639 -18.034 -28.697 1.00 14.33 C ATOM 2109 O ASP B 103 5.883 -17.096 -28.433 1.00 15.48 O ATOM 2110 CB ASP B 103 5.923 -18.796 -30.943 1.00 13.58 C ATOM 2111 CG ASP B 103 6.056 -19.927 -31.924 1.00 18.94 C ATOM 2112 OD1 ASP B 103 6.414 -21.051 -31.533 1.00 18.06 O ATOM 2113 OD2 ASP B 103 5.833 -19.665 -33.113 1.00 17.92 O ATOM 2114 H ASP B 103 4.023 -19.195 -29.021 1.00 0.00 H ATOM 2115 N VAL B 104 7.923 -18.047 -28.373 1.00 13.57 N ATOM 2116 CA VAL B 104 8.599 -16.913 -27.763 1.00 12.90 C ATOM 2117 C VAL B 104 9.569 -16.390 -28.800 1.00 13.81 C ATOM 2118 O VAL B 104 10.381 -17.154 -29.322 1.00 18.68 O ATOM 2119 CB VAL B 104 9.341 -17.299 -26.475 1.00 14.34 C ATOM 2120 CG1 VAL B 104 10.104 -16.058 -25.931 1.00 12.85 C ATOM 2121 CG2 VAL B 104 8.372 -17.836 -25.402 1.00 16.39 C ATOM 2122 H VAL B 104 8.474 -18.908 -28.564 1.00 0.00 H ATOM 2123 N MET B 105 9.496 -15.098 -29.089 1.00 13.47 N ATOM 2124 CA MET B 105 10.364 -14.533 -30.124 1.00 15.07 C ATOM 2125 C MET B 105 11.116 -13.324 -29.591 1.00 15.89 C ATOM 2126 O MET B 105 10.568 -12.541 -28.804 1.00 16.99 O ATOM 2127 CB MET B 105 9.551 -14.125 -31.373 1.00 15.91 C ATOM 2128 CG MET B 105 9.101 -15.340 -32.177 1.00 17.30 C ATOM 2129 SD MET B 105 8.127 -14.839 -33.613 1.00 19.88 S ATOM 2130 CE MET B 105 7.875 -16.413 -34.432 1.00 19.98 C ATOM 2131 H MET B 105 8.824 -14.487 -28.582 1.00 0.00 H ATOM 2132 N ARG B 106 12.358 -13.174 -30.037 1.00 16.43 N ATOM 2133 CA ARG B 106 13.132 -11.950 -29.857 1.00 17.81 C ATOM 2134 C ARG B 106 13.396 -11.353 -31.228 1.00 23.04 C ATOM 2135 O ARG B 106 13.927 -12.049 -32.090 1.00 22.14 O ATOM 2136 CB ARG B 106 14.469 -12.220 -29.188 1.00 19.40 C ATOM 2137 CG ARG B 106 15.411 -11.062 -29.276 1.00 27.62 C ATOM 2138 CD ARG B 106 16.718 -11.393 -28.598 1.00 36.44 C ATOM 2139 NE ARG B 106 16.736 -10.894 -27.227 1.00 48.98 N ATOM 2140 CZ ARG B 106 16.270 -11.552 -26.161 1.00 59.85 C ATOM 2141 NH1 ARG B 106 15.730 -12.759 -26.292 1.00 64.10 N ATOM 2142 NH2 ARG B 106 16.338 -10.999 -24.948 1.00 59.12 N ATOM 2143 HE ARG B 106 17.144 -9.951 -27.066 1.00 0.00 H ATOM 2144 HH12 ARG B 106 15.371 -13.262 -25.455 1.00 0.00 H ATOM 2145 HH11 ARG B 106 15.667 -13.201 -27.231 1.00 0.00 H ATOM 2146 HH22 ARG B 106 15.974 -11.514 -24.121 1.00 0.00 H ATOM 2147 HH21 ARG B 106 16.755 -10.053 -24.830 1.00 0.00 H ATOM 2148 H ARG B 106 12.801 -13.969 -30.540 1.00 0.00 H ATOM 2149 N PHE B 107 13.056 -10.079 -31.416 1.00 20.93 N ATOM 2150 CA PHE B 107 13.307 -9.374 -32.673 1.00 22.87 C ATOM 2151 C PHE B 107 14.547 -8.502 -32.570 1.00 27.74 C ATOM 2152 O PHE B 107 15.011 -8.159 -31.478 1.00 31.42 O ATOM 2153 CB PHE B 107 12.115 -8.509 -33.056 1.00 21.93 C ATOM 2154 CG PHE B 107 10.901 -9.301 -33.380 1.00 20.25 C ATOM 2155 CD1 PHE B 107 10.013 -9.694 -32.399 1.00 22.33 C ATOM 2156 CD2 PHE B 107 10.652 -9.676 -34.679 1.00 22.32 C ATOM 2157 CE1 PHE B 107 8.889 -10.462 -32.707 1.00 16.71 C ATOM 2158 CE2 PHE B 107 9.535 -10.429 -34.997 1.00 20.40 C ATOM 2159 CZ PHE B 107 8.649 -10.819 -34.048 1.00 18.02 C ATOM 2160 H PHE B 107 12.594 -9.565 -30.639 1.00 0.00 H ATOM 2161 N ASP B 108 15.082 -8.138 -33.724 1.00 30.74 N ATOM 2162 CA ASP B 108 16.224 -7.245 -33.758 1.00 34.70 C ATOM 2163 C ASP B 108 15.781 -5.836 -34.138 1.00 35.43 C ATOM 2164 O ASP B 108 14.595 -5.551 -34.330 1.00 35.99 O ATOM 2165 CB ASP B 108 17.302 -7.782 -34.702 1.00 37.98 C ATOM 2166 CG ASP B 108 16.880 -7.774 -36.183 1.00 41.45 C ATOM 2167 OD1 ASP B 108 15.923 -7.056 -36.580 1.00 35.78 O ATOM 2168 OD2 ASP B 108 17.553 -8.485 -36.956 1.00 41.72 O ATOM 2169 H ASP B 108 14.680 -8.495 -34.614 1.00 0.00 H ATOM 2170 N GLU B 109 16.763 -4.938 -34.238 1.00 40.67 N ATOM 2171 CA GLU B 109 16.521 -3.527 -34.510 1.00 49.76 C ATOM 2172 C GLU B 109 16.028 -3.279 -35.931 1.00 49.58 C ATOM 2173 O GLU B 109 15.626 -2.152 -36.250 1.00 50.78 O ATOM 2174 CB GLU B 109 17.803 -2.736 -34.246 1.00 63.22 C ATOM 2175 CG GLU B 109 18.996 -3.172 -35.112 1.00 74.95 C ATOM 2176 CD GLU B 109 19.571 -4.539 -34.731 1.00 79.83 C ATOM 2177 OE1 GLU B 109 19.280 -5.027 -33.612 1.00 79.56 O ATOM 2178 OE2 GLU B 109 20.310 -5.125 -35.558 1.00 83.12 O ATOM 2179 H GLU B 109 17.745 -5.259 -34.116 1.00 0.00 H ATOM 2180 N HIS B 110 16.056 -4.299 -36.784 1.00 44.75 N ATOM 2181 CA HIS B 110 15.483 -4.240 -38.118 1.00 47.41 C ATOM 2182 C HIS B 110 14.132 -4.935 -38.186 1.00 46.79 C ATOM 2183 O HIS B 110 13.573 -5.088 -39.277 1.00 47.97 O ATOM 2184 CB HIS B 110 16.462 -4.852 -39.116 1.00 52.52 C ATOM 2185 CG HIS B 110 17.807 -4.190 -39.101 1.00 64.18 C ATOM 2186 ND1 HIS B 110 18.007 -2.904 -39.559 1.00 69.07 N ATOM 2187 CD2 HIS B 110 19.012 -4.623 -38.656 1.00 67.44 C ATOM 2188 CE1 HIS B 110 19.279 -2.578 -39.408 1.00 73.89 C ATOM 2189 NE2 HIS B 110 19.910 -3.603 -38.862 1.00 73.32 N ATOM 2190 H HIS B 110 16.511 -5.184 -36.481 1.00 0.00 H ATOM 2191 N GLY B 111 13.596 -5.358 -37.039 1.00 34.77 N ATOM 2192 CA GLY B 111 12.295 -5.985 -37.017 1.00 31.36 C ATOM 2193 C GLY B 111 12.257 -7.423 -37.479 1.00 29.30 C ATOM 2194 O GLY B 111 11.177 -7.932 -37.776 1.00 29.14 O ATOM 2195 H GLY B 111 14.122 -5.235 -36.150 1.00 0.00 H ATOM 2196 N ARG B 112 13.392 -8.106 -37.522 1.00 34.10 N ATOM 2197 CA ARG B 112 13.447 -9.487 -37.972 1.00 31.51 C ATOM 2198 C ARG B 112 13.658 -10.419 -36.787 1.00 30.39 C ATOM 2199 O ARG B 112 14.235 -10.026 -35.769 1.00 28.40 O ATOM 2200 CB ARG B 112 14.551 -9.657 -39.010 1.00 32.05 C ATOM 2201 CG ARG B 112 14.238 -8.812 -40.227 1.00 34.62 C ATOM 2202 CD ARG B 112 14.445 -9.586 -41.509 1.00 46.76 C ATOM 2203 NE ARG B 112 15.833 -9.480 -41.904 1.00 47.24 N ATOM 2204 CZ ARG B 112 16.396 -10.129 -42.915 1.00 47.25 C ATOM 2205 NH1 ARG B 112 15.696 -10.980 -43.658 1.00 45.78 N ATOM 2206 NH2 ARG B 112 17.678 -9.927 -43.163 1.00 48.71 N ATOM 2207 HE ARG B 112 16.439 -8.842 -41.350 1.00 0.00 H ATOM 2208 HH12 ARG B 112 16.154 -11.480 -44.447 1.00 0.00 H ATOM 2209 HH11 ARG B 112 14.690 -11.146 -43.451 1.00 0.00 H ATOM 2210 HH22 ARG B 112 18.140 -10.425 -43.950 1.00 0.00 H ATOM 2211 HH21 ARG B 112 18.225 -9.270 -42.571 1.00 0.00 H ATOM 2212 H ARG B 112 14.272 -7.639 -37.224 1.00 0.00 H ATOM 2213 N ILE B 113 13.167 -11.653 -36.925 1.00 25.71 N ATOM 2214 CA ILE B 113 13.231 -12.635 -35.845 1.00 24.82 C ATOM 2215 C ILE B 113 14.675 -13.063 -35.631 1.00 24.29 C ATOM 2216 O ILE B 113 15.307 -13.634 -36.526 1.00 26.24 O ATOM 2217 CB ILE B 113 12.361 -13.859 -36.147 1.00 20.97 C ATOM 2218 CG1 ILE B 113 10.915 -13.468 -36.432 1.00 24.84 C ATOM 2219 CG2 ILE B 113 12.389 -14.776 -34.959 1.00 20.21 C ATOM 2220 CD1 ILE B 113 10.113 -14.609 -37.117 1.00 23.27 C ATOM 2221 H ILE B 113 12.726 -11.923 -37.827 1.00 0.00 H ATOM 2222 N GLN B 114 15.203 -12.798 -34.434 1.00 24.56 N ATOM 2223 CA GLN B 114 16.543 -13.241 -34.075 1.00 26.89 C ATOM 2224 C GLN B 114 16.518 -14.625 -33.427 1.00 25.37 C ATOM 2225 O GLN B 114 17.403 -15.451 -33.697 1.00 27.20 O ATOM 2226 CB GLN B 114 17.196 -12.216 -33.142 1.00 28.83 C ATOM 2227 CG GLN B 114 18.692 -12.378 -32.991 1.00 40.23 C ATOM 2228 CD GLN B 114 19.439 -12.037 -34.268 1.00 49.81 C ATOM 2229 OE1 GLN B 114 20.225 -12.842 -34.773 1.00 56.19 O ATOM 2230 NE2 GLN B 114 19.202 -10.837 -34.796 1.00 50.33 N ATOM 2231 HE22 GLN B 114 18.530 -10.190 -34.336 1.00 0.00 H ATOM 2232 HE21 GLN B 114 19.688 -10.547 -35.668 1.00 0.00 H ATOM 2233 H GLN B 114 14.643 -12.262 -33.740 1.00 0.00 H ATOM 2234 N THR B 115 15.523 -14.890 -32.568 1.00 24.27 N ATOM 2235 CA THR B 115 15.329 -16.216 -31.996 1.00 24.09 C ATOM 2236 C THR B 115 13.845 -16.538 -31.943 1.00 23.35 C ATOM 2237 O THR B 115 13.009 -15.668 -31.678 1.00 18.94 O ATOM 2238 CB THR B 115 15.942 -16.364 -30.587 1.00 28.37 C ATOM 2239 OG1 THR B 115 15.199 -15.581 -29.646 1.00 28.11 O ATOM 2240 CG2 THR B 115 17.375 -15.898 -30.578 1.00 31.09 C ATOM 2241 HG1 THR B 115 15.599 -15.682 -28.746 1.00 0.00 H ATOM 2242 H THR B 115 14.870 -14.126 -32.302 1.00 0.00 H ATOM 2243 N LYS B 116 13.519 -17.791 -32.232 1.00 22.96 N ATOM 2244 CA LYS B 116 12.197 -18.332 -31.946 1.00 19.05 C ATOM 2245 C LYS B 116 12.364 -19.583 -31.096 1.00 20.78 C ATOM 2246 O LYS B 116 13.217 -20.428 -31.389 1.00 22.26 O ATOM 2247 CB LYS B 116 11.423 -18.676 -33.234 1.00 21.60 C ATOM 2248 CG LYS B 116 9.958 -19.107 -32.923 1.00 22.13 C ATOM 2249 CD LYS B 116 9.290 -19.846 -34.110 1.00 23.78 C ATOM 2250 CE LYS B 116 9.516 -21.346 -34.041 1.00 23.50 C ATOM 2251 NZ LYS B 116 8.902 -22.026 -35.247 1.00 24.42 N ATOM 2252 HZ1 LYS B 116 7.880 -21.837 -35.267 1.00 0.00 H ATOM 2253 HZ2 LYS B 116 9.342 -21.655 -36.114 1.00 0.00 H ATOM 2254 HZ3 LYS B 116 9.065 -23.051 -35.186 1.00 0.00 H ATOM 2255 H LYS B 116 14.230 -18.406 -32.677 1.00 0.00 H ATOM 2256 N GLN B 117 11.583 -19.676 -30.025 1.00 17.68 N ATOM 2257 CA GLN B 117 11.525 -20.868 -29.195 1.00 17.85 C ATOM 2258 C GLN B 117 10.079 -21.312 -29.168 1.00 15.05 C ATOM 2259 O GLN B 117 9.205 -20.538 -28.755 1.00 19.97 O ATOM 2260 CB GLN B 117 12.031 -20.562 -27.780 1.00 18.18 C ATOM 2261 CG GLN B 117 13.509 -20.274 -27.802 1.00 26.77 C ATOM 2262 CD GLN B 117 13.932 -19.386 -26.682 1.00 38.18 C ATOM 2263 OE1 GLN B 117 13.260 -18.402 -26.369 1.00 44.29 O ATOM 2264 NE2 GLN B 117 15.066 -19.703 -26.078 1.00 45.53 N ATOM 2265 HE22 GLN B 117 15.598 -20.545 -26.379 1.00 0.00 H ATOM 2266 HE21 GLN B 117 15.425 -19.110 -25.303 1.00 0.00 H ATOM 2267 H GLN B 117 10.988 -18.862 -29.770 1.00 0.00 H ATOM 2268 N ALA B 118 9.827 -22.545 -29.609 1.00 13.94 N ATOM 2269 CA ALA B 118 8.477 -23.101 -29.710 1.00 14.37 C ATOM 2270 C ALA B 118 8.319 -24.116 -28.573 1.00 15.17 C ATOM 2271 O ALA B 118 8.956 -25.173 -28.589 1.00 20.96 O ATOM 2272 CB ALA B 118 8.244 -23.774 -31.056 1.00 17.43 C ATOM 2273 H ALA B 118 10.630 -23.141 -29.895 1.00 0.00 H ATOM 2274 N TYR B 119 7.433 -23.803 -27.627 1.00 15.49 N ATOM 2275 CA TYR B 119 7.166 -24.677 -26.499 1.00 12.95 C ATOM 2276 C TYR B 119 5.989 -25.564 -26.856 1.00 15.55 C ATOM 2277 O TYR B 119 4.883 -25.066 -27.094 1.00 13.73 O ATOM 2278 CB TYR B 119 6.865 -23.842 -25.248 1.00 16.05 C ATOM 2279 CG TYR B 119 8.114 -23.185 -24.701 1.00 18.09 C ATOM 2280 CD1 TYR B 119 8.553 -21.958 -25.203 1.00 17.10 C ATOM 2281 CD2 TYR B 119 8.875 -23.800 -23.697 1.00 20.01 C ATOM 2282 CE1 TYR B 119 9.711 -21.363 -24.702 1.00 17.72 C ATOM 2283 CE2 TYR B 119 10.037 -23.216 -23.223 1.00 20.37 C ATOM 2284 CZ TYR B 119 10.449 -21.996 -23.736 1.00 22.11 C ATOM 2285 OH TYR B 119 11.602 -21.395 -23.269 1.00 23.48 O ATOM 2286 HH TYR B 119 11.741 -20.537 -23.744 1.00 0.00 H ATOM 2287 H TYR B 119 6.916 -22.903 -27.700 1.00 0.00 H ATOM 2288 N TRP B 120 6.230 -26.863 -26.856 1.00 17.57 N ATOM 2289 CA TRP B 120 5.203 -27.867 -27.074 1.00 19.05 C ATOM 2290 C TRP B 120 5.844 -29.243 -26.944 1.00 18.44 C ATOM 2291 O TRP B 120 7.063 -29.395 -27.101 1.00 21.06 O ATOM 2292 CB TRP B 120 4.554 -27.697 -28.475 1.00 17.80 C ATOM 2293 CG TRP B 120 5.486 -27.950 -29.635 1.00 24.22 C ATOM 2294 CD1 TRP B 120 6.233 -27.019 -30.332 1.00 24.39 C ATOM 2295 CD2 TRP B 120 5.733 -29.210 -30.272 1.00 25.70 C ATOM 2296 NE1 TRP B 120 6.946 -27.637 -31.338 1.00 21.52 N ATOM 2297 CE2 TRP B 120 6.651 -28.980 -31.329 1.00 25.20 C ATOM 2298 CE3 TRP B 120 5.279 -30.514 -30.050 1.00 23.55 C ATOM 2299 CZ2 TRP B 120 7.120 -30.002 -32.149 1.00 25.48 C ATOM 2300 CZ3 TRP B 120 5.743 -31.533 -30.880 1.00 27.82 C ATOM 2301 CH2 TRP B 120 6.652 -31.265 -31.917 1.00 26.26 C ATOM 2302 HE1 TRP B 120 7.599 -27.165 -31.995 1.00 0.00 H ATOM 2303 H TRP B 120 7.206 -27.183 -26.691 1.00 0.00 H ATOM 2304 N SER B 121 5.013 -30.239 -26.654 1.00 19.89 N ATOM 2305 CA SER B 121 5.441 -31.629 -26.790 1.00 21.28 C ATOM 2306 C SER B 121 4.215 -32.509 -27.046 1.00 23.52 C ATOM 2307 O SER B 121 3.112 -32.018 -27.288 1.00 23.90 O ATOM 2308 CB SER B 121 6.232 -32.077 -25.559 1.00 26.03 C ATOM 2309 OG SER B 121 5.363 -32.253 -24.463 1.00 29.27 O ATOM 2310 HG SER B 121 4.908 -31.397 -24.264 1.00 0.00 H ATOM 2311 H SER B 121 4.049 -30.027 -26.327 1.00 0.00 H ATOM 2312 N GLU B 122 4.407 -33.832 -26.960 1.00 25.53 N ATOM 2313 CA GLU B 122 3.306 -34.755 -27.226 1.00 32.56 C ATOM 2314 C GLU B 122 2.130 -34.561 -26.279 1.00 29.31 C ATOM 2315 O GLU B 122 0.998 -34.896 -26.655 1.00 27.23 O ATOM 2316 CB GLU B 122 3.792 -36.201 -27.160 1.00 41.66 C ATOM 2317 CG GLU B 122 4.978 -36.488 -28.078 1.00 49.19 C ATOM 2318 CD GLU B 122 6.259 -35.934 -27.496 1.00 56.69 C ATOM 2319 OE1 GLU B 122 6.205 -35.480 -26.337 1.00 59.51 O ATOM 2320 OE2 GLU B 122 7.301 -35.935 -28.180 1.00 60.58 O ATOM 2321 H GLU B 122 5.344 -34.204 -26.703 1.00 0.00 H ATOM 2322 N VAL B 123 2.362 -34.044 -25.056 1.00 29.06 N ATOM 2323 CA VAL B 123 1.240 -33.822 -24.132 1.00 30.07 C ATOM 2324 C VAL B 123 0.274 -32.793 -24.682 1.00 30.45 C ATOM 2325 O VAL B 123 -0.867 -32.717 -24.219 1.00 31.28 O ATOM 2326 CB VAL B 123 1.688 -33.383 -22.710 1.00 30.18 C ATOM 2327 CG1 VAL B 123 2.647 -34.384 -22.121 1.00 30.63 C ATOM 2328 CG2 VAL B 123 2.267 -31.959 -22.731 1.00 28.26 C ATOM 2329 H VAL B 123 3.331 -33.803 -24.767 1.00 0.00 H ATOM 2330 N ASN B 124 0.716 -31.991 -25.661 1.00 24.34 N ATOM 2331 CA ASN B 124 -0.045 -30.915 -26.278 1.00 24.37 C ATOM 2332 C ASN B 124 -0.723 -31.351 -27.574 1.00 25.91 C ATOM 2333 O ASN B 124 -1.430 -30.548 -28.195 1.00 24.72 O ATOM 2334 CB ASN B 124 0.888 -29.725 -26.531 1.00 21.33 C ATOM 2335 CG ASN B 124 1.404 -29.137 -25.210 1.00 20.73 C ATOM 2336 OD1 ASN B 124 2.606 -29.043 -24.959 1.00 19.69 O ATOM 2337 ND2 ASN B 124 0.470 -28.797 -24.342 1.00 21.90 N ATOM 2338 HD22 ASN B 124 -0.534 -28.892 -24.595 1.00 0.00 H ATOM 2339 HD21 ASN B 124 0.738 -28.434 -23.405 1.00 0.00 H ATOM 2340 H ASN B 124 1.683 -32.151 -26.008 1.00 0.00 H ATOM 2341 N LEU B 125 -0.540 -32.615 -27.951 1.00 28.26 N ATOM 2342 CA LEU B 125 -1.127 -33.220 -29.141 1.00 30.43 C ATOM 2343 C LEU B 125 -2.501 -33.778 -28.824 1.00 29.14 C ATOM 2344 O LEU B 125 -2.695 -34.442 -27.799 1.00 30.97 O ATOM 2345 CB LEU B 125 -0.235 -34.353 -29.635 1.00 27.19 C ATOM 2346 CG LEU B 125 -0.685 -35.015 -30.924 1.00 34.77 C ATOM 2347 CD1 LEU B 125 -0.740 -33.958 -31.990 1.00 34.76 C ATOM 2348 CD2 LEU B 125 0.315 -36.101 -31.268 1.00 36.33 C ATOM 2349 H LEU B 125 0.065 -33.214 -27.354 1.00 0.00 H ATOM 2350 N SER B 126 -3.451 -33.542 -29.715 1.00 31.72 N ATOM 2351 CA SER B 126 -4.735 -34.220 -29.605 1.00 38.81 C ATOM 2352 C SER B 126 -5.236 -34.643 -30.981 1.00 40.13 C ATOM 2353 O SER B 126 -4.840 -34.110 -32.019 1.00 40.10 O ATOM 2354 CB SER B 126 -5.787 -33.355 -28.886 1.00 45.29 C ATOM 2355 OG SER B 126 -5.942 -32.085 -29.488 1.00 46.87 O ATOM 2356 HG SER B 126 -6.626 -31.568 -28.993 1.00 0.00 H ATOM 2357 H SER B 126 -3.281 -32.873 -30.493 1.00 0.00 H ATOM 2358 N VAL B 127 -6.091 -35.654 -30.966 1.00 44.45 N ATOM 2359 CA VAL B 127 -6.788 -36.135 -32.151 1.00 47.08 C ATOM 2360 C VAL B 127 -8.182 -35.530 -32.133 1.00 52.93 C ATOM 2361 O VAL B 127 -8.854 -35.546 -31.097 1.00 53.40 O ATOM 2362 CB VAL B 127 -6.843 -37.673 -32.169 1.00 47.70 C ATOM 2363 CG1 VAL B 127 -7.716 -38.167 -33.314 1.00 45.25 C ATOM 2364 CG2 VAL B 127 -5.421 -38.262 -32.247 1.00 44.53 C ATOM 2365 H VAL B 127 -6.275 -36.130 -30.060 1.00 0.00 H ATOM 2366 N ARG B 128 -8.610 -34.971 -33.259 1.00 56.35 N ATOM 2367 CA ARG B 128 -9.939 -34.372 -33.337 1.00 61.63 C ATOM 2368 C ARG B 128 -10.957 -35.341 -33.936 1.00 64.04 C ATOM 2369 O ARG B 128 -12.164 -35.082 -33.924 1.00 68.97 O ATOM 2370 CB ARG B 128 -9.884 -33.091 -34.157 1.00 64.22 C ATOM 2371 CG ARG B 128 -8.486 -32.530 -34.264 1.00 61.96 C ATOM 2372 CD ARG B 128 -8.471 -31.121 -34.836 1.00 63.91 C ATOM 2373 NE ARG B 128 -8.966 -31.043 -36.210 1.00 66.43 N ATOM 2374 CZ ARG B 128 -8.219 -31.224 -37.296 1.00 65.03 C ATOM 2375 NH1 ARG B 128 -6.930 -31.522 -37.194 1.00 57.60 N ATOM 2376 NH2 ARG B 128 -8.772 -31.116 -38.493 1.00 72.78 N ATOM 2377 HE ARG B 128 -9.975 -30.831 -36.348 1.00 0.00 H ATOM 2378 HH12 ARG B 128 -6.359 -31.661 -38.052 1.00 0.00 H ATOM 2379 HH11 ARG B 128 -6.491 -31.617 -36.256 1.00 0.00 H ATOM 2380 HH22 ARG B 128 -8.195 -31.256 -39.347 1.00 0.00 H ATOM 2381 HH21 ARG B 128 -9.784 -30.891 -38.580 1.00 0.00 H ATOM 2382 H ARG B 128 -7.991 -34.960 -34.095 1.00 0.00 H TER 2383 ARG B 128 HETATM 2384 O HOH 1 10.640 -32.253 -19.279 1.00 25.40 O HETATM 2385 O HOH 2 9.262 -35.679 -20.722 1.00 23.23 O HETATM 2386 O HOH 3 3.597 -32.255 -11.273 1.00 23.23 O HETATM 2387 O HOH 4 -1.680 -28.480 -16.294 1.00 26.07 O HETATM 2388 O HOH 5 -1.260 -29.418 -10.676 1.00 24.58 O HETATM 2389 O HOH 6 2.336 -30.423 -9.040 1.00 41.06 O HETATM 2390 O HOH 7 7.001 -27.876 -5.977 1.00 29.98 O HETATM 2391 O HOH 8 19.950 -26.097 -7.356 1.00 38.87 O HETATM 2392 O HOH 9 -4.103 -23.855 -12.383 1.00 29.92 O HETATM 2393 O HOH 10 4.715 -25.074 -2.339 1.00 21.35 O HETATM 2394 O HOH 11 -6.988 -20.702 -11.193 1.00 22.85 O HETATM 2395 O HOH 12 -3.998 -13.859 -5.017 1.00 26.33 O HETATM 2396 O HOH 13 -9.864 -17.671 -10.229 1.00 36.56 O HETATM 2397 O HOH 14 -7.179 -15.553 -1.153 1.00 31.58 O HETATM 2398 O HOH 15 2.207 -21.255 3.091 1.00 25.03 O HETATM 2399 O HOH 16 -0.547 -23.634 2.439 1.00 20.56 O HETATM 2400 O HOH 17 8.587 -19.767 1.677 1.00 27.08 O HETATM 2401 O HOH 18 3.242 -20.642 5.293 1.00 36.27 O HETATM 2402 O HOH 19 4.021 -23.228 2.378 1.00 34.51 O HETATM 2403 O HOH 20 15.432 -22.204 -20.428 1.00 27.81 O HETATM 2404 O HOH 21 8.268 -26.396 -7.968 1.00 26.22 O HETATM 2405 O HOH 22 16.501 -25.084 -3.857 1.00 25.60 O HETATM 2406 O HOH 23 19.902 -19.442 -2.601 1.00 28.73 O HETATM 2407 O HOH 24 19.383 -24.572 -6.242 1.00 42.17 O HETATM 2408 O HOH 25 18.893 -19.199 -11.418 1.00 33.46 O HETATM 2409 O HOH 26 14.640 -15.431 -15.219 1.00 28.70 O HETATM 2410 O HOH 27 14.345 -9.206 -18.177 1.00 24.11 O HETATM 2411 O HOH 28 12.053 -8.485 -12.965 1.00 30.47 O HETATM 2412 O HOH 29 4.424 -8.498 -11.998 1.00 26.82 O HETATM 2413 O HOH 30 4.035 -10.930 -10.577 1.00 31.52 O HETATM 2414 O HOH 31 7.447 -8.548 -20.863 1.00 24.32 O HETATM 2415 O HOH 32 9.287 -5.137 -20.658 1.00 24.68 O HETATM 2416 O HOH 33 10.839 -3.331 -19.496 1.00 34.53 O HETATM 2417 O HOH 34 13.870 -6.032 -11.284 1.00 35.53 O HETATM 2418 O HOH 35 16.475 -24.153 0.504 1.00 40.04 O HETATM 2419 O HOH 36 15.303 -25.996 -1.680 1.00 42.01 O HETATM 2420 O HOH 37 11.531 -11.424 1.616 1.00 24.54 O HETATM 2421 O HOH 38 18.692 -11.492 -0.912 1.00 25.90 O HETATM 2422 O HOH 39 12.518 -8.272 -4.630 1.00 26.95 O HETATM 2423 O HOH 40 4.549 -9.339 -7.948 1.00 28.30 O HETATM 2424 O HOH 41 -2.098 -7.339 -4.474 1.00 37.01 O HETATM 2425 O HOH 42 -5.749 -5.663 -6.959 1.00 41.96 O HETATM 2426 O HOH 43 -6.190 -22.056 -13.702 1.00 23.40 O HETATM 2427 O HOH 44 -4.476 -19.062 -24.763 1.00 31.11 O HETATM 2428 O HOH 45 -4.695 -16.200 -23.720 1.00 15.11 O HETATM 2429 O HOH 46 -2.386 -27.715 -18.830 1.00 21.96 O HETATM 2430 O HOH 47 -4.229 -21.607 -25.514 1.00 17.47 O HETATM 2431 O HOH 48 11.259 -30.822 -25.835 1.00 21.71 O HETATM 2432 O HOH 49 12.644 -22.095 -20.695 1.00 26.04 O HETATM 2433 O HOH 50 -6.358 -7.840 -20.679 1.00 34.45 O HETATM 2434 O HOH 51 -3.929 -8.829 -23.928 1.00 24.23 O HETATM 2435 O HOH 52 16.146 -20.515 -18.142 1.00 23.81 O HETATM 2436 O HOH 53 16.926 -27.373 -16.065 1.00 39.51 O HETATM 2437 O HOH 54 16.502 -26.956 -5.920 1.00 33.30 O HETATM 2438 O HOH 55 11.698 -17.050 -21.996 1.00 23.85 O HETATM 2439 O HOH 56 12.793 -13.614 -25.281 1.00 35.17 O HETATM 2440 O HOH 57 6.661 -4.882 -20.042 1.00 25.02 O HETATM 2441 O HOH 58 13.230 -1.457 -34.420 1.00 45.71 O HETATM 2442 O HOH 59 9.649 -3.967 -27.406 1.00 25.12 O HETATM 2443 O HOH 60 4.086 -0.022 -27.711 1.00 31.12 O HETATM 2444 O HOH 61 7.400 -0.497 -26.418 1.00 35.46 O HETATM 2445 O HOH 62 0.519 0.735 -32.554 1.00 40.07 O HETATM 2446 O HOH 63 4.159 -4.364 -36.453 1.00 29.48 O HETATM 2447 O HOH 64 -1.373 -8.986 -32.533 1.00 26.70 O HETATM 2448 O HOH 65 0.006 -8.092 -37.833 1.00 34.66 O HETATM 2449 O HOH 66 7.736 -11.729 -44.879 1.00 25.92 O HETATM 2450 O HOH 67 8.885 -8.860 -40.950 1.00 35.20 O HETATM 2451 O HOH 68 -0.245 -23.688 -43.821 1.00 30.68 O HETATM 2452 O HOH 69 12.553 -16.156 -48.039 1.00 31.41 O HETATM 2453 O HOH 70 18.494 -16.933 -40.718 1.00 37.37 O HETATM 2454 O HOH 71 20.279 -18.556 -39.164 1.00 37.94 O HETATM 2455 O HOH 72 16.131 -19.962 -30.535 1.00 32.27 O HETATM 2456 O HOH 73 9.142 -27.819 -25.957 1.00 25.60 O HETATM 2457 O HOH 74 16.561 -27.698 -41.196 1.00 32.47 O HETATM 2458 O HOH 75 0.714 -26.097 -44.950 1.00 33.33 O HETATM 2459 O HOH 76 -4.852 -17.608 -38.256 1.00 29.63 O HETATM 2460 O HOH 77 -4.429 -15.985 -35.767 1.00 23.66 O HETATM 2461 O HOH 78 -2.527 -9.925 -30.129 1.00 23.56 O HETATM 2462 O HOH 79 9.963 -0.667 -26.793 1.00 40.01 O HETATM 2463 O HOH 80 -4.542 -43.490 -38.904 1.00 28.32 O HETATM 2464 O HOH 81 -2.205 -29.055 -25.021 1.00 25.75 O HETATM 2465 O HOH 82 16.651 -14.752 -27.472 1.00 27.80 O HETATM 2466 O HOH 83 12.199 -18.924 -24.052 1.00 27.08 O HETATM 2467 O HOH 84 9.069 -31.399 -27.165 1.00 25.71 O HETATM 2468 O HOH 85 -3.090 -33.207 -25.357 1.00 43.52 O HETATM 2469 C1 EQU A 86 2.962 -14.156 -12.435 1.00 0.09 C HETATM 2470 C2 EQU A 86 3.133 -13.026 -13.241 1.00 -0.02 C HETATM 2471 C3 EQU A 86 2.450 -11.848 -12.943 1.00 -0.01 C HETATM 2472 C4 EQU A 86 1.573 -11.769 -11.824 1.00 -0.00 C HETATM 2473 C5 EQU A 86 1.406 -12.899 -11.015 1.00 -0.05 C HETATM 2474 C6 EQU A 86 2.082 -14.101 -11.318 1.00 -0.02 C HETATM 2475 H3 EQU A 86 1.931 -14.980 -10.701 1.00 0.06 H HETATM 2476 H2 EQU A 86 0.754 -12.851 -10.151 1.00 0.06 H HETATM 2477 C13 EQU A 86 0.877 -10.591 -11.522 1.00 0.01 C HETATM 2478 C12 EQU A 86 1.049 -9.280 -12.375 1.00 -0.01 C HETATM 2479 C11 EQU A 86 1.918 -9.404 -13.471 1.00 -0.04 C HETATM 2480 C10 EQU A 86 2.628 -10.627 -13.782 1.00 -0.04 C HETATM 2481 H4 EQU A 86 3.297 -10.656 -14.635 1.00 0.07 H HETATM 2482 H5 EQU A 86 2.064 -8.544 -14.114 1.00 0.07 H HETATM 2483 C16 EQU A 86 0.558 -8.474 -12.081 1.00 -0.05 C HETATM 2484 C17 EQU A 86 0.305 -8.260 -10.827 1.00 -0.03 C HETATM 2485 C18 EQU A 86 -0.568 -9.345 -10.239 1.00 -0.15 C HETATM 2486 C19 EQU A 86 -0.049 -10.447 -10.354 1.00 -0.05 C HETATM 2487 H7 EQU A 86 -0.246 -11.262 -9.659 1.00 0.09 H HETATM 2488 H6 EQU A 86 -1.536 -9.168 -9.772 1.00 0.04 H HETATM 2489 C26 EQU A 86 -0.273 -6.809 -10.753 1.00 0.07 C HETATM 2490 C25 EQU A 86 0.295 -6.159 -11.675 1.00 0.08 C HETATM 2491 C24 EQU A 86 0.958 -7.180 -12.514 1.00 0.01 C HETATM 2492 H8 EQU A 86 1.644 -6.974 -13.334 1.00 0.17 H HETATM 2493 H9 EQU A 86 -0.445 -5.597 -12.263 1.00 0.09 H HETATM 2494 H10 EQU A 86 1.036 -5.463 -11.256 1.00 0.09 H HETATM 2495 O26 EQU A 86 -1.081 -6.401 -9.986 1.00 -0.37 O HETATM 2496 C27 EQU A 86 1.551 -8.132 -9.917 1.00 -0.12 C HETATM 2497 H11 EQU A 86 2.073 -9.099 -9.871 1.00 -0.00 H HETATM 2498 H12 EQU A 86 1.237 -7.837 -8.905 1.00 -0.00 H HETATM 2499 H13 EQU A 86 2.228 -7.369 -10.328 1.00 -0.00 H HETATM 2500 H1 EQU A 86 3.796 -13.066 -14.097 1.00 0.06 H HETATM 2501 O1 EQU A 86 3.665 -15.333 -12.704 1.00 -0.33 O HETATM 2502 H14 EQU A 86 4.217 -15.547 -11.961 1.00 0.25 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1198 1199 1206 1207 1208 CONECT 1206 1198 CONECT 1207 1198 CONECT 1208 1198 CONECT 2469 2470 2474 2501 CONECT 2470 2469 2471 2500 CONECT 2471 2470 2472 2480 CONECT 2472 2471 2473 2477 CONECT 2473 2472 2474 2476 CONECT 2474 2469 2473 2475 CONECT 2475 2474 CONECT 2476 2473 CONECT 2477 2472 2478 2486 CONECT 2478 2477 2479 2483 CONECT 2479 2478 2480 2482 CONECT 2480 2471 2479 2481 CONECT 2481 2480 CONECT 2482 2479 CONECT 2483 2478 2484 2491 CONECT 2484 2483 2485 2489 2496 CONECT 2485 2484 2486 2488 CONECT 2486 2477 2485 2487 CONECT 2487 2486 CONECT 2488 2485 CONECT 2489 2484 2490 2495 CONECT 2490 2489 2491 2493 2494 CONECT 2491 2483 2490 2492 CONECT 2492 2491 CONECT 2493 2490 CONECT 2494 2490 CONECT 2495 2489 CONECT 2496 2484 2497 2498 2499 CONECT 2497 2496 CONECT 2498 2496 CONECT 2499 2496 CONECT 2500 2470 CONECT 2501 2469 2502 CONECT 2502 2501 MASTER 0 0 0 0 0 0 0 0 2500 2 42 20 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5g2g
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1e3v
RCSB PDB
PDBbind
131aa, >1E3V_1|Chains... *
1ogx
RCSB PDB
PDBbind
131aa, >1OGX_1|Chains... at 99%
1w6y
RCSB PDB
PDBbind
131aa, >1W6Y_1|Chain... at 99%
5ai1
RCSB PDB
PDBbind
131aa, >5AI1_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1ogx
RCSB PDB
PDBbind
EQU
1ogz
RCSB PDB
PDBbind
EQU
1w6y
RCSB PDB
PDBbind
EQU
5ai1
RCSB PDB
PDBbind
EQU
Entry Information
PDB ID
5g2g
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ketosteroid isomerase mutant M112K
Ligand Name
EQU
EC.Number
E.C.5.3.3.1
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=0.9uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Biochim.Biophys.Acta Vol.1864 : pp.1322-1327
Ligand Properties
Formula
C
1
8
H
1
4
O
2
Molecular Weight
262.303
Exact Mass
262.099
No. of atoms
34
No. of bonds
37
Polar Surface Area
37.3
LOGP Value
3.46 (
Computed with XLOGP3
)
3.93 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 4
Canonical SMILES
Oc1ccc2c(c1)ccc1c2C=C[C@]2(C1=CCC2=O)C
InChI String
InChI=1S/C18H14O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-6,8-10,19H,7H2,1H3/t18-/m0/s1
Links to External Databases
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UniProtKB AC
UniProt accession number (AC):
P07445
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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