Browse entries in the PDBbind-CN Database
HEADER 5IVS_COMPLEX COMPND 5IVS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP GLN ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP GLN ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET ASN LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET UNN A 410 91 ATOM 1 N PRO A 1 -0.023 3.021 -5.407 1.00 18.12 N ATOM 2 CA PRO A 1 0.830 4.091 -4.889 1.00 18.04 C ATOM 3 C PRO A 1 0.230 4.807 -3.690 1.00 19.15 C ATOM 4 O PRO A 1 -0.937 4.601 -3.351 1.00 17.10 O ATOM 5 CB PRO A 1 0.938 5.055 -6.078 1.00 20.67 C ATOM 6 CG PRO A 1 -0.351 4.896 -6.791 1.00 25.93 C ATOM 7 CD PRO A 1 -0.713 3.432 -6.646 1.00 21.26 C ATOM 8 HN2 PRO A 1 -0.734 2.777 -4.688 1.00 0.00 H ATOM 9 HN1 PRO A 1 0.565 2.187 -5.608 1.00 0.00 H ATOM 10 N GLN A 2 1.057 5.637 -3.051 1.00 16.64 N ATOM 11 CA GLN A 2 0.641 6.501 -1.956 1.00 15.33 C ATOM 12 C GLN A 2 0.733 7.873 -2.585 1.00 18.00 C ATOM 13 O GLN A 2 1.808 8.297 -3.030 1.00 18.07 O ATOM 14 CB GLN A 2 1.557 6.407 -0.743 1.00 16.54 C ATOM 15 CG GLN A 2 1.105 7.370 0.349 1.00 18.81 C ATOM 16 CD GLN A 2 1.731 7.074 1.664 1.00 29.27 C ATOM 17 OE1 GLN A 2 2.751 7.667 2.035 1.00 30.10 O ATOM 18 NE2 GLN A 2 1.120 6.164 2.404 1.00 19.21 N ATOM 19 HE22 GLN A 2 0.264 5.693 2.047 1.00 0.00 H ATOM 20 HE21 GLN A 2 1.495 5.920 3.343 1.00 0.00 H ATOM 21 H GLN A 2 2.052 5.668 -3.352 1.00 0.00 H ATOM 22 N ILE A 3 -0.397 8.561 -2.649 1.00 13.57 N ATOM 23 CA ILE A 3 -0.468 9.867 -3.255 1.00 13.67 C ATOM 24 C ILE A 3 -0.563 10.917 -2.190 1.00 16.31 C ATOM 25 O ILE A 3 -1.493 10.934 -1.374 1.00 14.49 O ATOM 26 CB ILE A 3 -1.611 9.956 -4.291 1.00 16.81 C ATOM 27 CG1 ILE A 3 -1.373 8.916 -5.425 1.00 19.35 C ATOM 28 CG2 ILE A 3 -1.736 11.379 -4.861 1.00 18.18 C ATOM 29 CD1 ILE A 3 -2.512 8.660 -6.227 1.00 25.36 C ATOM 30 H ILE A 3 -1.262 8.145 -2.249 1.00 0.00 H ATOM 31 N THR A 4 0.423 11.815 -2.216 1.00 14.42 N ATOM 32 CA THR A 4 0.492 12.919 -1.293 1.00 13.87 C ATOM 33 C THR A 4 -0.622 13.928 -1.578 1.00 12.54 C ATOM 34 O THR A 4 -1.142 13.985 -2.683 1.00 14.15 O ATOM 35 CB THR A 4 1.883 13.626 -1.440 1.00 16.94 C ATOM 36 OG1 THR A 4 1.945 14.627 -0.455 1.00 16.23 O ATOM 37 CG2 THR A 4 2.093 14.319 -2.812 1.00 18.42 C ATOM 38 HG1 THR A 4 1.856 14.213 0.440 1.00 0.00 H ATOM 39 H THR A 4 1.172 11.714 -2.931 1.00 0.00 H ATOM 40 N LEU A 5 -0.964 14.732 -0.566 1.00 9.27 N ATOM 41 CA LEU A 5 -1.962 15.780 -0.744 1.00 7.98 C ATOM 42 C LEU A 5 -1.334 17.179 -0.687 1.00 9.80 C ATOM 43 O LEU A 5 -2.039 18.188 -0.637 1.00 9.52 O ATOM 44 CB LEU A 5 -3.149 15.608 0.214 1.00 7.78 C ATOM 45 CG LEU A 5 -3.949 14.325 -0.033 1.00 10.54 C ATOM 46 CD1 LEU A 5 -5.038 14.206 0.984 1.00 9.79 C ATOM 47 CD2 LEU A 5 -4.574 14.299 -1.448 1.00 11.26 C ATOM 48 H LEU A 5 -0.511 14.608 0.362 1.00 0.00 H ATOM 49 N TRP A 6 0.021 17.250 -0.732 1.00 8.76 N ATOM 50 CA TRP A 6 0.710 18.540 -0.766 1.00 9.85 C ATOM 51 C TRP A 6 0.324 19.283 -2.062 1.00 10.49 C ATOM 52 O TRP A 6 0.331 20.510 -2.071 1.00 10.79 O ATOM 53 CB TRP A 6 2.229 18.349 -0.741 1.00 9.16 C ATOM 54 CG TRP A 6 2.832 17.881 0.554 1.00 9.85 C ATOM 55 CD1 TRP A 6 3.634 16.791 0.728 1.00 12.35 C ATOM 56 CD2 TRP A 6 2.789 18.554 1.829 1.00 10.32 C ATOM 57 NE1 TRP A 6 4.069 16.721 2.037 1.00 12.80 N ATOM 58 CE2 TRP A 6 3.566 17.790 2.732 1.00 13.38 C ATOM 59 CE3 TRP A 6 2.170 19.727 2.292 1.00 11.55 C ATOM 60 CZ2 TRP A 6 3.723 18.150 4.075 1.00 13.41 C ATOM 61 CZ3 TRP A 6 2.344 20.095 3.617 1.00 13.02 C ATOM 62 CH2 TRP A 6 3.111 19.308 4.491 1.00 13.44 C ATOM 63 HE1 TRP A 6 4.680 15.977 2.432 1.00 0.00 H ATOM 64 H TRP A 6 0.579 16.372 -0.742 1.00 0.00 H ATOM 65 N GLN A 7 0.039 18.528 -3.144 1.00 8.20 N ATOM 66 CA GLN A 7 -0.419 19.079 -4.431 1.00 8.17 C ATOM 67 C GLN A 7 -1.739 18.403 -4.748 1.00 8.50 C ATOM 68 O GLN A 7 -2.103 17.401 -4.122 1.00 9.37 O ATOM 69 CB GLN A 7 0.567 18.757 -5.569 1.00 9.38 C ATOM 70 CG GLN A 7 1.909 19.498 -5.419 1.00 11.38 C ATOM 71 CD GLN A 7 2.870 18.844 -4.455 1.00 10.03 C ATOM 72 OE1 GLN A 7 3.011 17.616 -4.410 1.00 12.99 O ATOM 73 NE2 GLN A 7 3.561 19.677 -3.670 1.00 12.88 N ATOM 74 HE22 GLN A 7 3.411 20.704 -3.741 1.00 0.00 H ATOM 75 HE21 GLN A 7 4.249 19.298 -2.988 1.00 0.00 H ATOM 76 H GLN A 7 0.149 17.497 -3.064 1.00 0.00 H ATOM 77 N ARG A 8 -2.436 18.929 -5.748 1.00 9.21 N ATOM 78 CA ARG A 8 -3.671 18.309 -6.199 1.00 8.94 C ATOM 79 C ARG A 8 -3.332 16.884 -6.673 1.00 10.41 C ATOM 80 O ARG A 8 -2.323 16.691 -7.390 1.00 10.61 O ATOM 81 CB ARG A 8 -4.245 19.081 -7.386 1.00 10.31 C ATOM 82 CG ARG A 8 -4.688 20.473 -7.014 1.00 12.01 C ATOM 83 CD ARG A 8 -5.085 21.289 -8.220 1.00 16.07 C ATOM 84 NE ARG A 8 -5.589 22.590 -7.784 1.00 18.88 N ATOM 85 CZ ARG A 8 -5.576 23.688 -8.531 1.00 35.15 C ATOM 86 NH1 ARG A 8 -5.061 23.661 -9.755 1.00 22.12 N ATOM 87 NH2 ARG A 8 -6.068 24.825 -8.056 1.00 22.36 N ATOM 88 HE ARG A 8 -5.984 22.661 -6.825 1.00 0.00 H ATOM 89 HH12 ARG A 8 -5.054 24.524 -10.335 1.00 0.00 H ATOM 90 HH11 ARG A 8 -4.665 22.777 -10.133 1.00 0.00 H ATOM 91 HH22 ARG A 8 -6.056 25.683 -8.644 1.00 0.00 H ATOM 92 HH21 ARG A 8 -6.466 24.859 -7.096 1.00 0.00 H ATOM 93 H ARG A 8 -2.095 19.794 -6.214 1.00 0.00 H ATOM 94 N PRO A 9 -4.151 15.887 -6.274 1.00 8.70 N ATOM 95 CA PRO A 9 -3.880 14.489 -6.668 1.00 8.43 C ATOM 96 C PRO A 9 -4.317 14.223 -8.118 1.00 11.63 C ATOM 97 O PRO A 9 -5.366 13.616 -8.386 1.00 11.30 O ATOM 98 CB PRO A 9 -4.684 13.675 -5.648 1.00 9.77 C ATOM 99 CG PRO A 9 -5.823 14.578 -5.270 1.00 12.29 C ATOM 100 CD PRO A 9 -5.306 15.995 -5.357 1.00 9.32 C ATOM 101 N LEU A 10 -3.505 14.713 -9.058 1.00 11.04 N ATOM 102 CA LEU A 10 -3.759 14.575 -10.490 1.00 10.90 C ATOM 103 C LEU A 10 -3.059 13.334 -11.011 1.00 13.78 C ATOM 104 O LEU A 10 -1.879 13.102 -10.692 1.00 14.11 O ATOM 105 CB LEU A 10 -3.275 15.822 -11.247 1.00 12.19 C ATOM 106 CG LEU A 10 -4.087 17.091 -10.978 1.00 16.02 C ATOM 107 CD1 LEU A 10 -3.344 18.325 -11.481 1.00 18.27 C ATOM 108 CD2 LEU A 10 -5.453 17.035 -11.665 1.00 16.72 C ATOM 109 H LEU A 10 -2.648 15.219 -8.755 1.00 0.00 H ATOM 110 N VAL A 11 -3.790 12.498 -11.746 1.00 10.38 N ATOM 111 CA VAL A 11 -3.210 11.275 -12.312 1.00 11.07 C ATOM 112 C VAL A 11 -3.595 11.147 -13.786 1.00 13.07 C ATOM 113 O VAL A 11 -4.504 11.845 -14.262 1.00 12.26 O ATOM 114 CB VAL A 11 -3.640 9.989 -11.540 1.00 14.69 C ATOM 115 CG1 VAL A 11 -3.258 10.062 -10.062 1.00 15.02 C ATOM 116 CG2 VAL A 11 -5.136 9.713 -11.709 1.00 14.01 C ATOM 117 H VAL A 11 -4.791 12.716 -11.922 1.00 0.00 H ATOM 118 N THR A 12 -2.935 10.211 -14.506 1.00 12.12 N ATOM 119 CA THR A 12 -3.273 9.965 -15.902 1.00 12.98 C ATOM 120 C THR A 12 -4.366 8.919 -15.962 1.00 14.23 C ATOM 121 O THR A 12 -4.329 7.912 -15.245 1.00 14.67 O ATOM 122 CB THR A 12 -2.025 9.518 -16.691 1.00 19.60 C ATOM 123 OG1 THR A 12 -1.022 10.522 -16.510 1.00 20.21 O ATOM 124 CG2 THR A 12 -2.314 9.334 -18.210 1.00 19.49 C ATOM 125 HG1 THR A 12 -1.358 11.388 -16.853 1.00 0.00 H ATOM 126 H THR A 12 -2.176 9.660 -14.057 1.00 0.00 H ATOM 127 N ILE A 13 -5.345 9.166 -16.832 1.00 11.77 N ATOM 128 CA ILE A 13 -6.421 8.233 -17.065 1.00 11.24 C ATOM 129 C ILE A 13 -6.451 7.918 -18.556 1.00 14.89 C ATOM 130 O ILE A 13 -5.921 8.692 -19.376 1.00 15.03 O ATOM 131 CB ILE A 13 -7.795 8.766 -16.555 1.00 13.71 C ATOM 132 CG1 ILE A 13 -8.273 9.997 -17.371 1.00 13.53 C ATOM 133 CG2 ILE A 13 -7.756 9.030 -15.038 1.00 12.19 C ATOM 134 CD1 ILE A 13 -9.757 10.357 -17.226 1.00 14.00 C ATOM 135 H ILE A 13 -5.333 10.061 -17.361 1.00 0.00 H ATOM 136 N LYS A 14 -7.073 6.794 -18.901 1.00 12.03 N ATOM 137 CA LYS A 14 -7.258 6.403 -20.286 1.00 12.19 C ATOM 138 C LYS A 14 -8.733 6.073 -20.437 1.00 14.68 C ATOM 139 O LYS A 14 -9.276 5.228 -19.704 1.00 14.60 O ATOM 140 CB LYS A 14 -6.344 5.232 -20.682 1.00 13.70 C ATOM 141 CG LYS A 14 -6.202 5.073 -22.195 1.00 26.50 C ATOM 142 CD LYS A 14 -5.501 3.761 -22.583 1.00 34.45 C ATOM 143 CE LYS A 14 -4.003 3.757 -22.366 1.00 53.35 C ATOM 144 NZ LYS A 14 -3.402 2.438 -22.714 1.00 65.31 N ATOM 145 HZ1 LYS A 14 -3.823 1.698 -22.117 1.00 0.00 H ATOM 146 HZ2 LYS A 14 -3.590 2.226 -23.715 1.00 0.00 H ATOM 147 HZ3 LYS A 14 -2.375 2.473 -22.553 1.00 0.00 H ATOM 148 H LYS A 14 -7.440 6.173 -18.151 1.00 0.00 H ATOM 149 N ILE A 15 -9.396 6.777 -21.367 1.00 13.63 N ATOM 150 CA ILE A 15 -10.823 6.614 -21.645 1.00 14.10 C ATOM 151 C ILE A 15 -11.115 6.835 -23.130 1.00 22.42 C ATOM 152 O ILE A 15 -10.673 7.836 -23.688 1.00 20.95 O ATOM 153 CB ILE A 15 -11.698 7.543 -20.750 1.00 16.79 C ATOM 154 CG1 ILE A 15 -13.215 7.298 -20.997 1.00 17.07 C ATOM 155 CG2 ILE A 15 -11.291 9.048 -20.909 1.00 18.28 C ATOM 156 CD1 ILE A 15 -14.148 8.047 -20.092 1.00 19.22 C ATOM 157 H ILE A 15 -8.865 7.478 -21.922 1.00 0.00 H ATOM 158 N GLY A 16 -11.870 5.913 -23.737 1.00 22.25 N ATOM 159 CA GLY A 16 -12.233 5.988 -25.159 1.00 23.15 C ATOM 160 C GLY A 16 -11.039 6.118 -26.085 1.00 28.21 C ATOM 161 O GLY A 16 -11.141 6.746 -27.143 1.00 29.22 O ATOM 162 H GLY A 16 -12.216 5.107 -23.178 1.00 0.00 H ATOM 163 N GLY A 17 -9.914 5.539 -25.674 1.00 25.32 N ATOM 164 CA GLY A 17 -8.648 5.566 -26.399 1.00 26.05 C ATOM 165 C GLY A 17 -7.881 6.869 -26.245 1.00 30.08 C ATOM 166 O GLY A 17 -6.907 7.103 -26.970 1.00 31.85 O ATOM 167 H GLY A 17 -9.939 5.029 -24.768 1.00 0.00 H ATOM 168 N GLN A 18 -8.304 7.732 -25.298 1.00 23.23 N ATOM 169 CA GLN A 18 -7.673 9.037 -25.068 1.00 20.54 C ATOM 170 C GLN A 18 -6.992 9.103 -23.715 1.00 20.85 C ATOM 171 O GLN A 18 -7.562 8.625 -22.729 1.00 19.43 O ATOM 172 CB GLN A 18 -8.712 10.171 -25.136 1.00 21.36 C ATOM 173 CG GLN A 18 -9.436 10.307 -26.479 1.00 29.21 C ATOM 174 CD GLN A 18 -10.472 11.400 -26.445 1.00 42.19 C ATOM 175 OE1 GLN A 18 -10.183 12.561 -26.132 1.00 33.44 O ATOM 176 NE2 GLN A 18 -11.709 11.054 -26.774 1.00 39.16 N ATOM 177 HE22 GLN A 18 -11.922 10.070 -27.033 1.00 0.00 H ATOM 178 HE21 GLN A 18 -12.466 11.767 -26.773 1.00 0.00 H ATOM 179 H GLN A 18 -9.114 7.460 -24.704 1.00 0.00 H ATOM 180 N LEU A 19 -5.789 9.707 -23.659 1.00 17.64 N ATOM 181 CA LEU A 19 -5.064 9.895 -22.402 1.00 16.76 C ATOM 182 C LEU A 19 -5.428 11.292 -21.910 1.00 16.67 C ATOM 183 O LEU A 19 -5.367 12.269 -22.663 1.00 16.72 O ATOM 184 CB LEU A 19 -3.534 9.772 -22.555 1.00 17.96 C ATOM 185 CG LEU A 19 -2.958 8.372 -22.822 1.00 23.31 C ATOM 186 CD1 LEU A 19 -1.479 8.452 -23.130 1.00 24.63 C ATOM 187 CD2 LEU A 19 -3.142 7.444 -21.629 1.00 25.01 C ATOM 188 H LEU A 19 -5.360 10.052 -24.541 1.00 0.00 H ATOM 189 N LYS A 20 -5.830 11.382 -20.644 1.00 13.37 N ATOM 190 CA LYS A 20 -6.233 12.640 -20.044 1.00 12.03 C ATOM 191 C LYS A 20 -5.668 12.710 -18.623 1.00 14.55 C ATOM 192 O LYS A 20 -5.222 11.699 -18.076 1.00 14.36 O ATOM 193 CB LYS A 20 -7.787 12.725 -19.978 1.00 13.07 C ATOM 194 CG LYS A 20 -8.488 12.864 -21.345 1.00 15.21 C ATOM 195 CD LYS A 20 -10.001 12.794 -21.212 1.00 15.01 C ATOM 196 CE LYS A 20 -10.693 13.047 -22.537 1.00 19.01 C ATOM 197 NZ LYS A 20 -10.757 14.500 -22.861 1.00 24.30 N ATOM 198 HZ1 LYS A 20 -11.286 14.997 -22.116 1.00 0.00 H ATOM 199 HZ2 LYS A 20 -9.792 14.884 -22.918 1.00 0.00 H ATOM 200 HZ3 LYS A 20 -11.237 14.629 -23.774 1.00 0.00 H ATOM 201 H LYS A 20 -5.856 10.519 -20.064 1.00 0.00 H ATOM 202 N GLU A 21 -5.696 13.901 -18.030 1.00 12.54 N ATOM 203 CA GLU A 21 -5.268 14.117 -16.654 1.00 12.53 C ATOM 204 C GLU A 21 -6.555 14.293 -15.855 1.00 12.94 C ATOM 205 O GLU A 21 -7.467 14.986 -16.317 1.00 12.74 O ATOM 206 CB GLU A 21 -4.408 15.390 -16.553 1.00 14.88 C ATOM 207 CG GLU A 21 -3.826 15.664 -15.177 1.00 25.41 C ATOM 208 CD GLU A 21 -3.098 16.990 -15.052 1.00 56.50 C ATOM 209 OE1 GLU A 21 -3.720 18.045 -15.316 1.00 49.56 O ATOM 210 OE2 GLU A 21 -1.902 16.973 -14.680 1.00 59.36 O ATOM 211 H GLU A 21 -6.040 14.717 -18.575 1.00 0.00 H ATOM 212 N ALA A 22 -6.627 13.682 -14.661 1.00 10.01 N ATOM 213 CA ALA A 22 -7.838 13.833 -13.859 1.00 10.02 C ATOM 214 C ALA A 22 -7.515 13.898 -12.378 1.00 10.73 C ATOM 215 O ALA A 22 -6.501 13.382 -11.926 1.00 10.42 O ATOM 216 CB ALA A 22 -8.801 12.693 -14.140 1.00 10.99 C ATOM 217 H ALA A 22 -5.832 13.110 -14.313 1.00 0.00 H ATOM 218 N LEU A 23 -8.396 14.541 -11.628 1.00 8.27 N ATOM 219 CA LEU A 23 -8.253 14.758 -10.198 1.00 8.00 C ATOM 220 C LEU A 23 -8.943 13.658 -9.403 1.00 9.34 C ATOM 221 O LEU A 23 -10.130 13.404 -9.619 1.00 10.97 O ATOM 222 CB LEU A 23 -8.930 16.105 -9.885 1.00 8.78 C ATOM 223 CG LEU A 23 -8.840 16.641 -8.472 1.00 12.25 C ATOM 224 CD1 LEU A 23 -7.396 16.972 -8.089 1.00 12.32 C ATOM 225 CD2 LEU A 23 -9.710 17.882 -8.341 1.00 13.54 C ATOM 226 H LEU A 23 -9.247 14.916 -12.093 1.00 0.00 H ATOM 227 N LEU A 24 -8.232 13.030 -8.447 1.00 7.94 N ATOM 228 CA LEU A 24 -8.832 11.995 -7.577 1.00 8.71 C ATOM 229 C LEU A 24 -9.542 12.763 -6.487 1.00 11.33 C ATOM 230 O LEU A 24 -8.908 13.370 -5.619 1.00 11.36 O ATOM 231 CB LEU A 24 -7.769 11.079 -6.974 1.00 8.89 C ATOM 232 CG LEU A 24 -6.897 10.325 -7.990 1.00 11.66 C ATOM 233 CD1 LEU A 24 -5.923 9.364 -7.267 1.00 12.29 C ATOM 234 CD2 LEU A 24 -7.735 9.542 -8.992 1.00 12.54 C ATOM 235 H LEU A 24 -7.231 13.280 -8.317 1.00 0.00 H ATOM 236 N ASP A 25 -10.874 12.747 -6.536 1.00 8.86 N ATOM 237 CA ASP A 25 -11.701 13.574 -5.660 1.00 8.06 C ATOM 238 C ASP A 25 -12.615 12.810 -4.745 1.00 9.80 C ATOM 239 O ASP A 25 -13.701 12.380 -5.163 1.00 8.92 O ATOM 240 CB ASP A 25 -12.481 14.521 -6.559 1.00 9.68 C ATOM 241 CG ASP A 25 -13.222 15.604 -5.837 1.00 14.34 C ATOM 242 OD1 ASP A 25 -13.247 15.572 -4.587 1.00 14.99 O ATOM 243 OD2 ASP A 25 -13.773 16.487 -6.520 1.00 15.93 O ATOM 244 H ASP A 25 -11.342 12.123 -7.223 1.00 0.00 H ATOM 245 N THR A 26 -12.192 12.660 -3.473 1.00 7.26 N ATOM 246 CA THR A 26 -13.017 11.932 -2.497 1.00 6.65 C ATOM 247 C THR A 26 -14.286 12.710 -2.137 1.00 9.45 C ATOM 248 O THR A 26 -15.191 12.098 -1.570 1.00 9.76 O ATOM 249 CB THR A 26 -12.214 11.620 -1.239 1.00 9.48 C ATOM 250 OG1 THR A 26 -11.776 12.842 -0.629 1.00 7.83 O ATOM 251 CG2 THR A 26 -11.004 10.717 -1.516 1.00 10.14 C ATOM 252 HG1 THR A 26 -12.564 13.390 -0.388 1.00 0.00 H ATOM 253 H THR A 26 -11.278 13.061 -3.181 1.00 0.00 H ATOM 254 N GLY A 27 -14.354 14.011 -2.455 1.00 7.61 N ATOM 255 CA GLY A 27 -15.549 14.785 -2.156 1.00 7.31 C ATOM 256 C GLY A 27 -16.595 14.672 -3.240 1.00 9.55 C ATOM 257 O GLY A 27 -17.717 15.131 -3.029 1.00 10.61 O ATOM 258 H GLY A 27 -13.545 14.471 -2.920 1.00 0.00 H ATOM 259 N ALA A 28 -16.252 14.078 -4.402 1.00 7.91 N ATOM 260 CA ALA A 28 -17.206 13.926 -5.496 1.00 7.59 C ATOM 261 C ALA A 28 -17.922 12.604 -5.440 1.00 9.01 C ATOM 262 O ALA A 28 -17.259 11.565 -5.434 1.00 8.77 O ATOM 263 CB ALA A 28 -16.479 14.053 -6.823 1.00 8.62 C ATOM 264 H ALA A 28 -15.283 13.719 -4.521 1.00 0.00 H ATOM 265 N ASP A 29 -19.266 12.608 -5.474 1.00 7.17 N ATOM 266 CA ASP A 29 -19.950 11.311 -5.476 1.00 7.13 C ATOM 267 C ASP A 29 -19.741 10.601 -6.822 1.00 10.77 C ATOM 268 O ASP A 29 -19.721 9.368 -6.896 1.00 11.60 O ATOM 269 CB ASP A 29 -21.466 11.523 -5.333 1.00 7.98 C ATOM 270 CG ASP A 29 -21.968 12.136 -4.038 1.00 12.90 C ATOM 271 OD1 ASP A 29 -23.069 12.747 -4.062 1.00 16.44 O ATOM 272 OD2 ASP A 29 -21.290 11.979 -2.993 1.00 10.13 O ATOM 273 H ASP A 29 -19.801 13.499 -5.498 1.00 0.00 H ATOM 274 N ASP A 30 -19.656 11.398 -7.893 1.00 9.40 N ATOM 275 CA ASP A 30 -19.609 10.930 -9.268 1.00 10.08 C ATOM 276 C ASP A 30 -18.388 11.392 -10.015 1.00 11.00 C ATOM 277 O ASP A 30 -17.700 12.305 -9.578 1.00 11.62 O ATOM 278 CB ASP A 30 -20.849 11.494 -9.997 1.00 13.32 C ATOM 279 CG ASP A 30 -22.171 11.365 -9.264 1.00 22.69 C ATOM 280 OD1 ASP A 30 -22.535 10.226 -8.891 1.00 22.58 O ATOM 281 OD2 ASP A 30 -22.838 12.401 -9.065 1.00 27.59 O ATOM 282 H ASP A 30 -19.621 12.425 -7.730 1.00 0.00 H ATOM 283 N THR A 31 -18.112 10.736 -11.150 1.00 9.50 N ATOM 284 CA THR A 31 -17.000 11.045 -12.031 1.00 8.63 C ATOM 285 C THR A 31 -17.544 11.980 -13.115 1.00 9.67 C ATOM 286 O THR A 31 -18.564 11.675 -13.733 1.00 9.76 O ATOM 287 CB THR A 31 -16.452 9.742 -12.600 1.00 9.96 C ATOM 288 OG1 THR A 31 -15.832 9.043 -11.513 1.00 8.64 O ATOM 289 CG2 THR A 31 -15.417 9.962 -13.705 1.00 9.42 C ATOM 290 HG1 THR A 31 -16.506 8.864 -10.810 1.00 0.00 H ATOM 291 H THR A 31 -18.738 9.950 -11.419 1.00 0.00 H ATOM 292 N VAL A 32 -16.875 13.123 -13.313 1.00 8.02 N ATOM 293 CA VAL A 32 -17.315 14.106 -14.307 1.00 8.33 C ATOM 294 C VAL A 32 -16.143 14.559 -15.116 1.00 10.83 C ATOM 295 O VAL A 32 -15.153 15.048 -14.555 1.00 9.60 O ATOM 296 CB VAL A 32 -17.997 15.329 -13.652 1.00 13.34 C ATOM 297 CG1 VAL A 32 -18.606 16.246 -14.728 1.00 12.89 C ATOM 298 CG2 VAL A 32 -19.054 14.890 -12.644 1.00 15.46 C ATOM 299 H VAL A 32 -16.024 13.318 -12.748 1.00 0.00 H ATOM 300 N LEU A 33 -16.250 14.379 -16.437 1.00 9.43 N ATOM 301 CA LEU A 33 -15.185 14.769 -17.340 1.00 9.84 C ATOM 302 C LEU A 33 -15.600 15.934 -18.186 1.00 10.72 C ATOM 303 O LEU A 33 -16.784 16.116 -18.474 1.00 9.54 O ATOM 304 CB LEU A 33 -14.802 13.578 -18.240 1.00 10.21 C ATOM 305 CG LEU A 33 -14.440 12.274 -17.515 1.00 13.62 C ATOM 306 CD1 LEU A 33 -14.050 11.220 -18.494 1.00 14.25 C ATOM 307 CD2 LEU A 33 -13.276 12.463 -16.524 1.00 15.54 C ATOM 308 H LEU A 33 -17.115 13.951 -16.824 1.00 0.00 H ATOM 309 N GLU A 34 -14.602 16.720 -18.626 1.00 9.74 N ATOM 310 CA GLU A 34 -14.833 17.839 -19.526 1.00 9.34 C ATOM 311 C GLU A 34 -15.376 17.278 -20.834 1.00 12.39 C ATOM 312 O GLU A 34 -15.221 16.082 -21.130 1.00 11.70 O ATOM 313 CB GLU A 34 -13.517 18.586 -19.785 1.00 10.84 C ATOM 314 CG GLU A 34 -12.990 19.233 -18.515 1.00 15.23 C ATOM 315 CD GLU A 34 -11.756 20.092 -18.701 1.00 35.28 C ATOM 316 OE1 GLU A 34 -11.391 20.385 -19.862 1.00 32.08 O ATOM 317 OE2 GLU A 34 -11.154 20.477 -17.675 1.00 25.43 O ATOM 318 H GLU A 34 -13.631 16.521 -18.312 1.00 0.00 H ATOM 319 N GLU A 35 -16.030 18.132 -21.606 1.00 10.12 N ATOM 320 CA GLU A 35 -16.677 17.734 -22.859 1.00 10.73 C ATOM 321 C GLU A 35 -15.862 16.828 -23.734 1.00 12.06 C ATOM 322 O GLU A 35 -14.709 17.115 -24.056 1.00 13.75 O ATOM 323 CB GLU A 35 -17.136 18.950 -23.672 1.00 12.66 C ATOM 324 CG GLU A 35 -18.399 19.578 -23.128 1.00 17.29 C ATOM 325 CD GLU A 35 -19.668 18.753 -23.180 1.00 21.32 C ATOM 326 OE1 GLU A 35 -19.674 17.682 -23.829 1.00 20.35 O ATOM 327 OE2 GLU A 35 -20.669 19.194 -22.573 1.00 22.87 O ATOM 328 H GLU A 35 -16.087 19.128 -21.311 1.00 0.00 H ATOM 329 N MET A 36 -16.483 15.708 -24.093 1.00 11.24 N ATOM 330 CA MET A 36 -15.909 14.666 -24.932 1.00 10.69 C ATOM 331 C MET A 36 -17.037 13.765 -25.434 1.00 14.32 C ATOM 332 O MET A 36 -18.150 13.750 -24.886 1.00 14.41 O ATOM 333 CB MET A 36 -14.887 13.823 -24.157 1.00 12.34 C ATOM 334 CG MET A 36 -15.522 12.935 -23.095 1.00 14.03 C ATOM 335 SD MET A 36 -14.323 11.820 -22.333 1.00 16.84 S ATOM 336 CE MET A 36 -13.821 10.832 -23.755 1.00 14.80 C ATOM 337 H MET A 36 -17.454 15.566 -23.748 1.00 0.00 H ATOM 338 N ASN A 37 -16.728 12.969 -26.457 1.00 13.61 N ATOM 339 CA ASN A 37 -17.709 12.050 -26.997 1.00 13.49 C ATOM 340 C ASN A 37 -17.526 10.683 -26.322 1.00 14.82 C ATOM 341 O ASN A 37 -16.397 10.252 -26.077 1.00 15.03 O ATOM 342 CB ASN A 37 -17.522 11.924 -28.542 1.00 15.84 C ATOM 343 CG ASN A 37 -18.600 11.103 -29.192 1.00 58.81 C ATOM 344 OD1 ASN A 37 -19.717 11.579 -29.437 1.00 60.15 O ATOM 345 ND2 ASN A 37 -18.293 9.845 -29.482 1.00 56.07 N ATOM 346 HD22 ASN A 37 -17.345 9.477 -29.263 1.00 0.00 H ATOM 347 HD21 ASN A 37 -19.000 9.227 -29.929 1.00 0.00 H ATOM 348 H ASN A 37 -15.775 13.008 -26.871 1.00 0.00 H ATOM 349 N LEU A 38 -18.636 10.016 -26.003 1.00 12.31 N ATOM 350 CA LEU A 38 -18.595 8.676 -25.427 1.00 13.10 C ATOM 351 C LEU A 38 -19.608 7.807 -26.157 1.00 18.82 C ATOM 352 O LEU A 38 -20.608 8.339 -26.632 1.00 17.49 O ATOM 353 CB LEU A 38 -18.890 8.675 -23.918 1.00 12.77 C ATOM 354 CG LEU A 38 -17.713 9.086 -23.041 1.00 14.74 C ATOM 355 CD1 LEU A 38 -18.129 9.153 -21.595 1.00 14.06 C ATOM 356 CD2 LEU A 38 -16.506 8.111 -23.205 1.00 17.38 C ATOM 357 H LEU A 38 -19.559 10.465 -26.170 1.00 0.00 H ATOM 358 N PRO A 39 -19.372 6.478 -26.251 1.00 18.92 N ATOM 359 CA PRO A 39 -20.339 5.620 -26.953 1.00 19.77 C ATOM 360 C PRO A 39 -21.562 5.285 -26.107 1.00 22.57 C ATOM 361 O PRO A 39 -21.503 5.332 -24.880 1.00 21.81 O ATOM 362 CB PRO A 39 -19.527 4.349 -27.236 1.00 21.87 C ATOM 363 CG PRO A 39 -18.575 4.257 -26.099 1.00 26.15 C ATOM 364 CD PRO A 39 -18.225 5.697 -25.738 1.00 21.09 C ATOM 365 N GLY A 40 -22.635 4.891 -26.781 1.00 20.40 N ATOM 366 CA GLY A 40 -23.870 4.455 -26.152 1.00 20.29 C ATOM 367 C GLY A 40 -24.897 5.515 -25.825 1.00 21.77 C ATOM 368 O GLY A 40 -24.765 6.679 -26.215 1.00 20.75 O ATOM 369 H GLY A 40 -22.589 4.894 -27.820 1.00 0.00 H ATOM 370 N ARG A 41 -25.942 5.090 -25.120 1.00 19.94 N ATOM 371 CA ARG A 41 -27.058 5.935 -24.704 1.00 20.03 C ATOM 372 C ARG A 41 -26.633 6.846 -23.560 1.00 19.02 C ATOM 373 O ARG A 41 -25.720 6.517 -22.817 1.00 18.60 O ATOM 374 CB ARG A 41 -28.227 5.060 -24.216 1.00 21.74 C ATOM 375 CG ARG A 41 -28.935 4.285 -25.330 1.00 37.16 C ATOM 376 CD ARG A 41 -30.290 3.753 -24.891 1.00 51.02 C ATOM 377 NE ARG A 41 -31.272 4.828 -24.719 1.00 62.61 N ATOM 378 CZ ARG A 41 -32.587 4.647 -24.656 1.00 77.72 C ATOM 379 NH1 ARG A 41 -33.104 3.427 -24.756 1.00 67.47 N ATOM 380 NH2 ARG A 41 -33.398 5.685 -24.499 1.00 63.40 N ATOM 381 HE ARG A 41 -30.914 5.801 -24.641 1.00 0.00 H ATOM 382 HH12 ARG A 41 -34.134 3.293 -24.706 1.00 0.00 H ATOM 383 HH11 ARG A 41 -32.479 2.606 -24.884 1.00 0.00 H ATOM 384 HH22 ARG A 41 -34.426 5.539 -24.450 1.00 0.00 H ATOM 385 HH21 ARG A 41 -33.005 6.645 -24.425 1.00 0.00 H ATOM 386 H ARG A 41 -25.966 4.087 -24.846 1.00 0.00 H ATOM 387 N TRP A 42 -27.301 7.978 -23.419 1.00 16.86 N ATOM 388 CA TRP A 42 -27.024 8.887 -22.314 1.00 16.09 C ATOM 389 C TRP A 42 -28.311 9.548 -21.895 1.00 19.10 C ATOM 390 O TRP A 42 -29.285 9.586 -22.654 1.00 19.44 O ATOM 391 CB TRP A 42 -25.974 9.947 -22.676 1.00 15.86 C ATOM 392 CG TRP A 42 -26.358 10.836 -23.822 1.00 17.76 C ATOM 393 CD1 TRP A 42 -26.086 10.627 -25.144 1.00 20.92 C ATOM 394 CD2 TRP A 42 -27.073 12.076 -23.749 1.00 18.05 C ATOM 395 NE1 TRP A 42 -26.583 11.663 -25.901 1.00 21.49 N ATOM 396 CE2 TRP A 42 -27.196 12.569 -25.069 1.00 22.53 C ATOM 397 CE3 TRP A 42 -27.617 12.829 -22.691 1.00 19.60 C ATOM 398 CZ2 TRP A 42 -27.855 13.771 -25.361 1.00 21.93 C ATOM 399 CZ3 TRP A 42 -28.265 14.020 -22.982 1.00 21.41 C ATOM 400 CH2 TRP A 42 -28.380 14.479 -24.302 1.00 22.17 C ATOM 401 HE1 TRP A 42 -26.507 11.747 -26.935 1.00 0.00 H ATOM 402 H TRP A 42 -28.038 8.225 -24.110 1.00 0.00 H ATOM 403 N LYS A 43 -28.319 10.082 -20.695 1.00 14.32 N ATOM 404 CA LYS A 43 -29.481 10.814 -20.217 1.00 13.80 C ATOM 405 C LYS A 43 -28.988 12.065 -19.490 1.00 15.90 C ATOM 406 O LYS A 43 -27.877 12.058 -18.948 1.00 14.06 O ATOM 407 CB LYS A 43 -30.404 9.955 -19.351 1.00 16.84 C ATOM 408 CG LYS A 43 -29.827 9.485 -18.046 1.00 17.34 C ATOM 409 CD LYS A 43 -30.811 8.523 -17.370 1.00 25.73 C ATOM 410 CE LYS A 43 -30.163 7.826 -16.201 1.00 30.09 C ATOM 411 NZ LYS A 43 -30.889 6.585 -15.820 1.00 33.18 N ATOM 412 HZ1 LYS A 43 -31.866 6.824 -15.556 1.00 0.00 H ATOM 413 HZ2 LYS A 43 -30.897 5.928 -16.626 1.00 0.00 H ATOM 414 HZ3 LYS A 43 -30.409 6.138 -15.013 1.00 0.00 H ATOM 415 H LYS A 43 -27.486 9.980 -20.081 1.00 0.00 H ATOM 416 N PRO A 44 -29.779 13.139 -19.451 1.00 12.76 N ATOM 417 CA PRO A 44 -29.306 14.348 -18.769 1.00 11.90 C ATOM 418 C PRO A 44 -29.393 14.248 -17.255 1.00 13.05 C ATOM 419 O PRO A 44 -30.229 13.534 -16.691 1.00 12.72 O ATOM 420 CB PRO A 44 -30.205 15.453 -19.327 1.00 13.95 C ATOM 421 CG PRO A 44 -31.456 14.770 -19.712 1.00 18.02 C ATOM 422 CD PRO A 44 -31.120 13.334 -20.046 1.00 14.82 C ATOM 423 N LYS A 45 -28.519 15.012 -16.587 1.00 11.00 N ATOM 424 CA LYS A 45 -28.454 15.052 -15.128 1.00 10.17 C ATOM 425 C LYS A 45 -27.932 16.424 -14.720 1.00 11.15 C ATOM 426 O LYS A 45 -27.238 17.074 -15.508 1.00 10.78 O ATOM 427 CB LYS A 45 -27.445 13.962 -14.637 1.00 12.62 C ATOM 428 CG LYS A 45 -27.415 13.687 -13.144 1.00 14.14 C ATOM 429 CD LYS A 45 -26.342 12.679 -12.799 1.00 17.28 C ATOM 430 CE LYS A 45 -26.177 12.489 -11.312 1.00 26.09 C ATOM 431 NZ LYS A 45 -27.298 11.719 -10.720 1.00 30.70 N ATOM 432 HZ1 LYS A 45 -28.191 12.226 -10.885 1.00 0.00 H ATOM 433 HZ2 LYS A 45 -27.344 10.780 -11.164 1.00 0.00 H ATOM 434 HZ3 LYS A 45 -27.142 11.613 -9.697 1.00 0.00 H ATOM 435 H LYS A 45 -27.858 15.603 -17.131 1.00 0.00 H ATOM 436 N MET A 46 -28.276 16.858 -13.500 1.00 9.34 N ATOM 437 CA MET A 46 -27.765 18.083 -12.906 1.00 9.30 C ATOM 438 C MET A 46 -26.938 17.690 -11.702 1.00 14.59 C ATOM 439 O MET A 46 -27.402 16.909 -10.863 1.00 15.02 O ATOM 440 CB MET A 46 -28.884 19.021 -12.462 1.00 11.38 C ATOM 441 CG MET A 46 -29.564 19.677 -13.593 1.00 14.04 C ATOM 442 SD MET A 46 -28.636 21.108 -14.186 1.00 17.46 S ATOM 443 CE MET A 46 -29.372 22.424 -13.095 1.00 17.07 C ATOM 444 H MET A 46 -28.946 16.287 -12.947 1.00 0.00 H ATOM 445 N ILE A 47 -25.720 18.211 -11.622 1.00 11.34 N ATOM 446 CA ILE A 47 -24.850 17.929 -10.478 1.00 10.60 C ATOM 447 C ILE A 47 -24.513 19.235 -9.798 1.00 11.39 C ATOM 448 O ILE A 47 -24.272 20.253 -10.470 1.00 10.79 O ATOM 449 CB ILE A 47 -23.626 17.089 -10.823 1.00 14.47 C ATOM 450 CG1 ILE A 47 -22.839 17.742 -11.945 1.00 14.23 C ATOM 451 CG2 ILE A 47 -24.037 15.626 -11.115 1.00 17.17 C ATOM 452 CD1 ILE A 47 -21.449 17.118 -12.243 1.00 18.83 C ATOM 453 H ILE A 47 -25.378 18.830 -12.384 1.00 0.00 H ATOM 454 N GLY A 48 -24.547 19.205 -8.483 1.00 9.51 N ATOM 455 CA GLY A 48 -24.310 20.404 -7.698 1.00 8.44 C ATOM 456 C GLY A 48 -23.061 20.390 -6.878 1.00 12.48 C ATOM 457 O GLY A 48 -22.591 19.342 -6.442 1.00 12.00 O ATOM 458 H GLY A 48 -24.747 18.307 -7.997 1.00 0.00 H ATOM 459 N GLY A 49 -22.555 21.581 -6.642 1.00 11.68 N ATOM 460 CA GLY A 49 -21.373 21.719 -5.803 1.00 11.40 C ATOM 461 C GLY A 49 -21.227 23.165 -5.412 1.00 11.27 C ATOM 462 O GLY A 49 -22.198 23.919 -5.431 1.00 11.61 O ATOM 463 H GLY A 49 -23.000 22.425 -7.055 1.00 0.00 H ATOM 464 N ILE A 50 -20.014 23.574 -5.035 1.00 10.89 N ATOM 465 CA ILE A 50 -19.831 24.975 -4.696 1.00 11.17 C ATOM 466 C ILE A 50 -20.093 25.772 -5.968 1.00 14.86 C ATOM 467 O ILE A 50 -19.638 25.392 -7.048 1.00 13.45 O ATOM 468 CB ILE A 50 -18.426 25.214 -4.107 1.00 14.31 C ATOM 469 CG1 ILE A 50 -18.453 24.864 -2.610 1.00 15.66 C ATOM 470 CG2 ILE A 50 -17.959 26.683 -4.341 1.00 18.57 C ATOM 471 CD1 ILE A 50 -17.139 24.879 -1.974 1.00 20.70 C ATOM 472 H ILE A 50 -19.219 22.906 -4.985 1.00 0.00 H ATOM 473 N GLY A 51 -20.857 26.838 -5.837 1.00 14.69 N ATOM 474 CA GLY A 51 -21.152 27.672 -6.988 1.00 14.03 C ATOM 475 C GLY A 51 -22.430 27.316 -7.700 1.00 15.60 C ATOM 476 O GLY A 51 -22.847 28.058 -8.587 1.00 16.87 O ATOM 477 H GLY A 51 -21.250 27.083 -4.906 1.00 0.00 H ATOM 478 N GLY A 52 -23.044 26.193 -7.342 1.00 11.37 N ATOM 479 CA GLY A 52 -24.297 25.824 -7.976 1.00 10.29 C ATOM 480 C GLY A 52 -24.236 24.544 -8.769 1.00 12.03 C ATOM 481 O GLY A 52 -23.434 23.658 -8.474 1.00 12.24 O ATOM 482 H GLY A 52 -22.629 25.581 -6.611 1.00 0.00 H ATOM 483 N PHE A 53 -25.076 24.473 -9.801 1.00 9.35 N ATOM 484 CA PHE A 53 -25.209 23.266 -10.590 1.00 9.43 C ATOM 485 C PHE A 53 -24.791 23.398 -12.028 1.00 11.53 C ATOM 486 O PHE A 53 -24.824 24.486 -12.611 1.00 13.43 O ATOM 487 CB PHE A 53 -26.679 22.811 -10.561 1.00 9.96 C ATOM 488 CG PHE A 53 -27.180 22.246 -9.251 1.00 9.20 C ATOM 489 CD1 PHE A 53 -27.394 20.878 -9.099 1.00 10.41 C ATOM 490 CD2 PHE A 53 -27.480 23.085 -8.177 1.00 11.33 C ATOM 491 CE1 PHE A 53 -27.822 20.352 -7.872 1.00 10.48 C ATOM 492 CE2 PHE A 53 -27.932 22.557 -6.967 1.00 12.73 C ATOM 493 CZ PHE A 53 -28.094 21.199 -6.815 1.00 10.98 C ATOM 494 H PHE A 53 -25.650 25.305 -10.046 1.00 0.00 H ATOM 495 N ILE A 54 -24.427 22.248 -12.617 1.00 10.24 N ATOM 496 CA ILE A 54 -24.109 22.170 -14.048 1.00 9.84 C ATOM 497 C ILE A 54 -24.894 20.997 -14.627 1.00 10.72 C ATOM 498 O ILE A 54 -25.133 19.996 -13.936 1.00 10.48 O ATOM 499 CB ILE A 54 -22.616 22.059 -14.414 1.00 12.73 C ATOM 500 CG1 ILE A 54 -21.947 20.847 -13.748 1.00 12.63 C ATOM 501 CG2 ILE A 54 -21.863 23.374 -14.115 1.00 14.70 C ATOM 502 CD1 ILE A 54 -20.523 20.491 -14.311 1.00 13.04 C ATOM 503 H ILE A 54 -24.368 21.384 -12.041 1.00 0.00 H ATOM 504 N LYS A 55 -25.296 21.134 -15.894 1.00 9.88 N ATOM 505 CA LYS A 55 -25.999 20.091 -16.634 1.00 9.65 C ATOM 506 C LYS A 55 -24.939 19.224 -17.289 1.00 11.61 C ATOM 507 O LYS A 55 -23.994 19.740 -17.910 1.00 11.90 O ATOM 508 CB LYS A 55 -26.934 20.678 -17.700 1.00 12.41 C ATOM 509 CG LYS A 55 -27.859 19.626 -18.299 1.00 14.56 C ATOM 510 CD LYS A 55 -28.732 20.242 -19.385 1.00 19.59 C ATOM 511 CE LYS A 55 -29.504 19.192 -20.145 1.00 32.81 C ATOM 512 NZ LYS A 55 -30.242 19.787 -21.291 1.00 46.01 N ATOM 513 HZ1 LYS A 55 -30.912 20.500 -20.938 1.00 0.00 H ATOM 514 HZ2 LYS A 55 -29.566 20.237 -21.941 1.00 0.00 H ATOM 515 HZ3 LYS A 55 -30.762 19.039 -21.793 1.00 0.00 H ATOM 516 H LYS A 55 -25.097 22.032 -16.379 1.00 0.00 H ATOM 517 N VAL A 56 -25.089 17.914 -17.148 1.00 8.95 N ATOM 518 CA VAL A 56 -24.144 16.960 -17.714 1.00 7.62 C ATOM 519 C VAL A 56 -24.908 15.847 -18.442 1.00 11.03 C ATOM 520 O VAL A 56 -26.114 15.664 -18.250 1.00 11.76 O ATOM 521 CB VAL A 56 -23.263 16.326 -16.589 1.00 10.62 C ATOM 522 CG1 VAL A 56 -22.430 17.392 -15.878 1.00 11.35 C ATOM 523 CG2 VAL A 56 -24.119 15.546 -15.581 1.00 10.02 C ATOM 524 H VAL A 56 -25.908 17.556 -16.616 1.00 0.00 H ATOM 525 N ARG A 57 -24.174 15.051 -19.234 1.00 8.68 N ATOM 526 CA ARG A 57 -24.737 13.869 -19.894 1.00 9.68 C ATOM 527 C ARG A 57 -24.223 12.669 -19.108 1.00 11.39 C ATOM 528 O ARG A 57 -23.014 12.564 -18.850 1.00 11.07 O ATOM 529 CB ARG A 57 -24.253 13.760 -21.333 1.00 9.61 C ATOM 530 CG ARG A 57 -24.680 14.929 -22.205 1.00 14.91 C ATOM 531 CD ARG A 57 -24.469 14.720 -23.701 1.00 20.33 C ATOM 532 NE ARG A 57 -23.184 14.121 -24.067 1.00 19.31 N ATOM 533 CZ ARG A 57 -22.028 14.767 -24.211 1.00 31.69 C ATOM 534 NH1 ARG A 57 -21.955 16.073 -23.985 1.00 20.82 N ATOM 535 NH2 ARG A 57 -20.931 14.105 -24.577 1.00 19.45 N ATOM 536 HE ARG A 57 -23.173 13.094 -24.230 1.00 0.00 H ATOM 537 HH12 ARG A 57 -21.049 16.571 -24.099 1.00 0.00 H ATOM 538 HH11 ARG A 57 -22.804 16.599 -23.693 1.00 0.00 H ATOM 539 HH22 ARG A 57 -20.030 14.613 -24.688 1.00 0.00 H ATOM 540 HH21 ARG A 57 -20.976 13.081 -24.751 1.00 0.00 H ATOM 541 H ARG A 57 -23.171 15.280 -19.385 1.00 0.00 H ATOM 542 N GLN A 58 -25.110 11.752 -18.752 1.00 10.05 N ATOM 543 CA GLN A 58 -24.767 10.558 -17.996 1.00 9.35 C ATOM 544 C GLN A 58 -24.635 9.349 -18.900 1.00 12.82 C ATOM 545 O GLN A 58 -25.616 8.953 -19.531 1.00 13.09 O ATOM 546 CB GLN A 58 -25.842 10.302 -16.926 1.00 10.80 C ATOM 547 CG GLN A 58 -25.609 9.012 -16.156 1.00 12.22 C ATOM 548 CD GLN A 58 -26.699 8.730 -15.176 1.00 17.24 C ATOM 549 OE1 GLN A 58 -27.364 9.638 -14.682 1.00 17.83 O ATOM 550 NE2 GLN A 58 -26.906 7.448 -14.861 1.00 17.92 N ATOM 551 HE22 GLN A 58 -26.325 6.705 -15.298 1.00 0.00 H ATOM 552 HE21 GLN A 58 -27.649 7.194 -14.179 1.00 0.00 H ATOM 553 H GLN A 58 -26.103 11.893 -19.027 1.00 0.00 H ATOM 554 N TYR A 59 -23.432 8.749 -18.942 1.00 9.88 N ATOM 555 CA TYR A 59 -23.176 7.522 -19.732 1.00 9.15 C ATOM 556 C TYR A 59 -22.892 6.412 -18.740 1.00 12.70 C ATOM 557 O TYR A 59 -22.063 6.576 -17.847 1.00 11.99 O ATOM 558 CB TYR A 59 -21.949 7.699 -20.657 1.00 9.88 C ATOM 559 CG TYR A 59 -22.134 8.721 -21.754 1.00 10.60 C ATOM 560 CD1 TYR A 59 -21.893 10.075 -21.521 1.00 12.40 C ATOM 561 CD2 TYR A 59 -22.496 8.333 -23.047 1.00 12.45 C ATOM 562 CE1 TYR A 59 -22.032 11.021 -22.533 1.00 13.72 C ATOM 563 CE2 TYR A 59 -22.626 9.271 -24.071 1.00 13.74 C ATOM 564 CZ TYR A 59 -22.397 10.616 -23.807 1.00 18.58 C ATOM 565 OH TYR A 59 -22.507 11.563 -24.800 1.00 20.32 O ATOM 566 HH TYR A 59 -21.863 11.357 -25.523 1.00 0.00 H ATOM 567 H TYR A 59 -22.649 9.164 -18.397 1.00 0.00 H ATOM 568 N ASP A 60 -23.546 5.268 -18.888 1.00 12.66 N ATOM 569 CA ASP A 60 -23.323 4.175 -17.956 1.00 12.09 C ATOM 570 C ASP A 60 -22.416 3.094 -18.548 1.00 14.90 C ATOM 571 O ASP A 60 -22.242 3.039 -19.759 1.00 15.12 O ATOM 572 CB ASP A 60 -24.681 3.568 -17.541 1.00 14.56 C ATOM 573 CG ASP A 60 -25.601 4.544 -16.827 1.00 19.71 C ATOM 574 OD1 ASP A 60 -25.106 5.326 -15.997 1.00 18.03 O ATOM 575 OD2 ASP A 60 -26.825 4.515 -17.096 1.00 28.28 O ATOM 576 H ASP A 60 -24.219 5.153 -19.672 1.00 0.00 H ATOM 577 N GLN A 61 -21.831 2.236 -17.693 1.00 13.96 N ATOM 578 CA GLN A 61 -20.989 1.115 -18.138 1.00 13.64 C ATOM 579 C GLN A 61 -19.823 1.552 -19.012 1.00 17.30 C ATOM 580 O GLN A 61 -19.616 0.985 -20.095 1.00 19.21 O ATOM 581 CB GLN A 61 -21.835 0.031 -18.869 1.00 15.62 C ATOM 582 CG GLN A 61 -22.978 -0.538 -18.017 1.00 27.75 C ATOM 583 CD GLN A 61 -23.768 -1.630 -18.712 1.00 52.59 C ATOM 584 OE1 GLN A 61 -23.833 -1.720 -19.945 1.00 48.90 O ATOM 585 NE2 GLN A 61 -24.400 -2.484 -17.927 1.00 47.60 N ATOM 586 HE22 GLN A 61 -24.331 -2.389 -16.894 1.00 0.00 H ATOM 587 HE21 GLN A 61 -24.966 -3.251 -18.342 1.00 0.00 H ATOM 588 H GLN A 61 -21.981 2.371 -16.673 1.00 0.00 H ATOM 589 N ILE A 62 -19.079 2.575 -18.558 1.00 11.74 N ATOM 590 CA ILE A 62 -17.925 3.089 -19.288 1.00 11.34 C ATOM 591 C ILE A 62 -16.658 2.579 -18.635 1.00 15.31 C ATOM 592 O ILE A 62 -16.513 2.624 -17.404 1.00 14.30 O ATOM 593 CB ILE A 62 -17.957 4.649 -19.323 1.00 13.83 C ATOM 594 CG1 ILE A 62 -19.233 5.188 -20.005 1.00 13.14 C ATOM 595 CG2 ILE A 62 -16.660 5.258 -19.955 1.00 13.24 C ATOM 596 CD1 ILE A 62 -19.476 4.837 -21.529 1.00 16.70 C ATOM 597 H ILE A 62 -19.335 3.017 -17.652 1.00 0.00 H ATOM 598 N LEU A 63 -15.728 2.103 -19.483 1.00 15.34 N ATOM 599 CA LEU A 63 -14.441 1.600 -19.058 1.00 18.22 C ATOM 600 C LEU A 63 -13.441 2.775 -18.968 1.00 18.91 C ATOM 601 O LEU A 63 -13.348 3.596 -19.888 1.00 17.26 O ATOM 602 CB LEU A 63 -13.951 0.537 -20.082 1.00 20.15 C ATOM 603 CG LEU A 63 -14.660 -0.855 -20.130 1.00 28.68 C ATOM 604 CD1 LEU A 63 -16.032 -0.794 -20.819 1.00 30.79 C ATOM 605 CD2 LEU A 63 -13.821 -1.858 -20.914 1.00 34.80 C ATOM 606 H LEU A 63 -15.947 2.097 -20.500 1.00 0.00 H ATOM 607 N ILE A 64 -12.716 2.851 -17.857 1.00 14.94 N ATOM 608 CA ILE A 64 -11.705 3.855 -17.599 1.00 15.78 C ATOM 609 C ILE A 64 -10.508 3.181 -16.917 1.00 19.47 C ATOM 610 O ILE A 64 -10.703 2.409 -15.974 1.00 22.02 O ATOM 611 CB ILE A 64 -12.317 5.022 -16.769 1.00 19.89 C ATOM 612 CG1 ILE A 64 -11.317 6.164 -16.526 1.00 20.56 C ATOM 613 CG2 ILE A 64 -12.946 4.528 -15.456 1.00 21.49 C ATOM 614 CD1 ILE A 64 -11.988 7.522 -16.291 1.00 25.47 C ATOM 615 H ILE A 64 -12.887 2.138 -17.120 1.00 0.00 H ATOM 616 N GLU A 65 -9.306 3.483 -17.368 1.00 14.05 N ATOM 617 CA GLU A 65 -8.109 2.968 -16.732 1.00 13.80 C ATOM 618 C GLU A 65 -7.571 4.165 -15.959 1.00 16.07 C ATOM 619 O GLU A 65 -7.347 5.226 -16.542 1.00 16.04 O ATOM 620 CB GLU A 65 -7.089 2.438 -17.752 1.00 14.67 C ATOM 621 CG GLU A 65 -5.887 1.771 -17.108 1.00 22.55 C ATOM 622 CD GLU A 65 -5.034 0.985 -18.080 1.00 44.86 C ATOM 623 OE1 GLU A 65 -3.978 1.508 -18.502 1.00 41.91 O ATOM 624 OE2 GLU A 65 -5.424 -0.154 -18.424 1.00 39.54 O ATOM 625 H GLU A 65 -9.215 4.104 -18.197 1.00 0.00 H ATOM 626 N ILE A 66 -7.427 4.014 -14.646 1.00 12.72 N ATOM 627 CA ILE A 66 -6.970 5.076 -13.758 1.00 12.80 C ATOM 628 C ILE A 66 -5.659 4.698 -13.165 1.00 19.02 C ATOM 629 O ILE A 66 -5.590 3.745 -12.380 1.00 17.75 O ATOM 630 CB ILE A 66 -8.034 5.368 -12.637 1.00 14.58 C ATOM 631 CG1 ILE A 66 -9.414 5.720 -13.227 1.00 13.86 C ATOM 632 CG2 ILE A 66 -7.548 6.490 -11.670 1.00 15.99 C ATOM 633 CD1 ILE A 66 -10.576 5.478 -12.285 1.00 17.51 C ATOM 634 H ILE A 66 -7.653 3.088 -14.230 1.00 0.00 H ATOM 635 N CYS A 67 -4.599 5.453 -13.524 1.00 19.15 N ATOM 636 CA CYS A 67 -3.261 5.226 -12.986 1.00 22.03 C ATOM 637 C CYS A 67 -2.929 3.716 -13.059 1.00 25.42 C ATOM 638 O CYS A 67 -2.479 3.120 -12.079 1.00 26.20 O ATOM 639 CB CYS A 67 -3.205 5.779 -11.556 1.00 24.69 C ATOM 640 SG CYS A 67 -1.540 6.016 -10.908 1.00 30.05 S ATOM 641 H CYS A 67 -4.741 6.224 -14.208 1.00 0.00 H ATOM 642 N GLY A 68 -3.249 3.115 -14.212 1.00 21.35 N ATOM 643 CA GLY A 68 -3.018 1.706 -14.519 1.00 21.49 C ATOM 644 C GLY A 68 -4.019 0.682 -14.020 1.00 26.26 C ATOM 645 O GLY A 68 -3.854 -0.508 -14.300 1.00 27.69 O ATOM 646 H GLY A 68 -3.698 3.698 -14.947 1.00 0.00 H ATOM 647 N HIS A 69 -5.069 1.117 -13.301 1.00 20.33 N ATOM 648 CA HIS A 69 -6.086 0.229 -12.739 1.00 18.62 C ATOM 649 C HIS A 69 -7.406 0.360 -13.492 1.00 19.32 C ATOM 650 O HIS A 69 -7.915 1.474 -13.667 1.00 16.30 O ATOM 651 CB HIS A 69 -6.314 0.548 -11.249 1.00 19.34 C ATOM 652 CG HIS A 69 -5.134 0.313 -10.358 1.00 23.04 C ATOM 653 ND1 HIS A 69 -4.052 1.166 -10.359 1.00 24.99 N ATOM 654 CD2 HIS A 69 -4.928 -0.654 -9.434 1.00 25.65 C ATOM 655 CE1 HIS A 69 -3.210 0.683 -9.459 1.00 25.00 C ATOM 656 NE2 HIS A 69 -3.698 -0.402 -8.870 1.00 25.66 N ATOM 657 H HIS A 69 -5.163 2.140 -13.136 1.00 0.00 H ATOM 658 N LYS A 70 -7.970 -0.774 -13.929 1.00 17.18 N ATOM 659 CA LYS A 70 -9.245 -0.766 -14.647 1.00 17.94 C ATOM 660 C LYS A 70 -10.417 -0.545 -13.683 1.00 21.39 C ATOM 661 O LYS A 70 -10.423 -1.057 -12.560 1.00 20.13 O ATOM 662 CB LYS A 70 -9.423 -2.039 -15.478 1.00 22.67 C ATOM 663 CG LYS A 70 -8.613 -1.989 -16.774 1.00 39.36 C ATOM 664 CD LYS A 70 -8.852 -3.196 -17.671 1.00 52.12 C ATOM 665 CE LYS A 70 -8.248 -3.016 -19.045 1.00 65.33 C ATOM 666 NZ LYS A 70 -6.760 -3.067 -19.020 1.00 74.04 N ATOM 667 HZ1 LYS A 70 -6.399 -2.309 -18.407 1.00 0.00 H ATOM 668 HZ2 LYS A 70 -6.452 -3.989 -18.651 1.00 0.00 H ATOM 669 HZ3 LYS A 70 -6.394 -2.939 -19.985 1.00 0.00 H ATOM 670 H LYS A 70 -7.491 -1.680 -13.754 1.00 0.00 H ATOM 671 N ALA A 71 -11.387 0.274 -14.119 1.00 18.50 N ATOM 672 CA ALA A 71 -12.598 0.592 -13.353 1.00 17.06 C ATOM 673 C ALA A 71 -13.704 0.826 -14.369 1.00 20.46 C ATOM 674 O ALA A 71 -13.471 1.505 -15.375 1.00 21.77 O ATOM 675 CB ALA A 71 -12.384 1.862 -12.539 1.00 18.63 C ATOM 676 H ALA A 71 -11.274 0.710 -15.057 1.00 0.00 H ATOM 677 N ILE A 72 -14.894 0.259 -14.122 1.00 13.32 N ATOM 678 CA ILE A 72 -16.053 0.465 -15.006 1.00 12.45 C ATOM 679 C ILE A 72 -17.138 1.131 -14.175 1.00 12.41 C ATOM 680 O ILE A 72 -17.283 0.838 -12.983 1.00 11.63 O ATOM 681 CB ILE A 72 -16.574 -0.796 -15.777 1.00 16.21 C ATOM 682 CG1 ILE A 72 -17.641 -0.425 -16.865 1.00 16.54 C ATOM 683 CG2 ILE A 72 -17.116 -1.820 -14.820 1.00 17.72 C ATOM 684 CD1 ILE A 72 -18.203 -1.588 -17.803 1.00 23.59 C ATOM 685 H ILE A 72 -15.001 -0.344 -13.281 1.00 0.00 H ATOM 686 N GLY A 73 -17.866 2.054 -14.803 1.00 11.25 N ATOM 687 CA GLY A 73 -18.936 2.723 -14.089 1.00 10.89 C ATOM 688 C GLY A 73 -19.553 3.840 -14.881 1.00 12.40 C ATOM 689 O GLY A 73 -19.279 4.013 -16.064 1.00 11.37 O ATOM 690 H GLY A 73 -17.668 2.292 -15.796 1.00 0.00 H ATOM 691 N THR A 74 -20.372 4.618 -14.210 1.00 10.05 N ATOM 692 CA THR A 74 -21.028 5.753 -14.834 1.00 10.36 C ATOM 693 C THR A 74 -20.046 6.904 -14.953 1.00 11.26 C ATOM 694 O THR A 74 -19.294 7.218 -14.011 1.00 11.44 O ATOM 695 CB THR A 74 -22.250 6.131 -13.996 1.00 12.23 C ATOM 696 OG1 THR A 74 -23.192 5.062 -14.086 1.00 15.07 O ATOM 697 CG2 THR A 74 -22.905 7.430 -14.462 1.00 12.42 C ATOM 698 HG1 THR A 74 -23.452 4.932 -15.032 1.00 0.00 H ATOM 699 H THR A 74 -20.555 4.416 -13.206 1.00 0.00 H ATOM 700 N VAL A 75 -20.062 7.568 -16.112 1.00 9.15 N ATOM 701 CA VAL A 75 -19.221 8.716 -16.352 1.00 8.36 C ATOM 702 C VAL A 75 -20.108 9.847 -16.816 1.00 10.10 C ATOM 703 O VAL A 75 -20.917 9.674 -17.738 1.00 10.36 O ATOM 704 CB VAL A 75 -18.102 8.397 -17.363 1.00 11.99 C ATOM 705 CG1 VAL A 75 -17.347 9.665 -17.771 1.00 12.56 C ATOM 706 CG2 VAL A 75 -17.144 7.374 -16.762 1.00 12.10 C ATOM 707 H VAL A 75 -20.702 7.247 -16.866 1.00 0.00 H ATOM 708 N LEU A 76 -19.998 10.999 -16.138 1.00 7.96 N ATOM 709 CA LEU A 76 -20.776 12.179 -16.502 1.00 8.05 C ATOM 710 C LEU A 76 -19.889 13.072 -17.339 1.00 11.19 C ATOM 711 O LEU A 76 -18.685 13.162 -17.077 1.00 11.27 O ATOM 712 CB LEU A 76 -21.259 12.929 -15.269 1.00 7.86 C ATOM 713 CG LEU A 76 -21.936 12.044 -14.190 1.00 9.22 C ATOM 714 CD1 LEU A 76 -22.285 12.884 -12.965 1.00 8.93 C ATOM 715 CD2 LEU A 76 -23.213 11.368 -14.738 1.00 10.15 C ATOM 716 H LEU A 76 -19.342 11.053 -15.333 1.00 0.00 H ATOM 717 N VAL A 77 -20.477 13.759 -18.333 1.00 8.31 N ATOM 718 CA VAL A 77 -19.693 14.645 -19.210 1.00 8.03 C ATOM 719 C VAL A 77 -20.364 16.016 -19.255 1.00 9.43 C ATOM 720 O VAL A 77 -21.566 16.124 -19.522 1.00 9.21 O ATOM 721 CB VAL A 77 -19.569 14.048 -20.644 1.00 11.73 C ATOM 722 CG1 VAL A 77 -18.766 14.969 -21.552 1.00 13.93 C ATOM 723 CG2 VAL A 77 -18.931 12.654 -20.597 1.00 11.72 C ATOM 724 H VAL A 77 -21.501 13.664 -18.485 1.00 0.00 H ATOM 725 N GLY A 78 -19.596 17.066 -18.997 1.00 8.69 N ATOM 726 CA GLY A 78 -20.153 18.407 -18.994 1.00 8.73 C ATOM 727 C GLY A 78 -19.128 19.480 -18.713 1.00 11.83 C ATOM 728 O GLY A 78 -17.921 19.208 -18.705 1.00 12.45 O ATOM 729 H GLY A 78 -18.585 16.928 -18.795 1.00 0.00 H ATOM 730 N PRO A 79 -19.604 20.708 -18.447 1.00 10.78 N ATOM 731 CA PRO A 79 -18.682 21.846 -18.257 1.00 10.56 C ATOM 732 C PRO A 79 -18.034 21.971 -16.883 1.00 14.49 C ATOM 733 O PRO A 79 -18.117 23.012 -16.202 1.00 14.85 O ATOM 734 CB PRO A 79 -19.559 23.049 -18.595 1.00 12.05 C ATOM 735 CG PRO A 79 -20.927 22.623 -18.135 1.00 15.10 C ATOM 736 CD PRO A 79 -21.012 21.147 -18.430 1.00 12.31 C ATOM 737 N THR A 80 -17.341 20.916 -16.496 1.00 12.35 N ATOM 738 CA THR A 80 -16.613 20.927 -15.231 1.00 12.94 C ATOM 739 C THR A 80 -15.296 21.661 -15.456 1.00 16.20 C ATOM 740 O THR A 80 -14.687 21.466 -16.507 1.00 16.03 O ATOM 741 CB THR A 80 -16.354 19.511 -14.712 1.00 13.14 C ATOM 742 OG1 THR A 80 -15.446 19.621 -13.612 1.00 11.66 O ATOM 743 CG2 THR A 80 -15.732 18.568 -15.766 1.00 10.60 C ATOM 744 HG1 THR A 80 -14.603 20.038 -13.922 1.00 0.00 H ATOM 745 H THR A 80 -17.314 20.069 -17.098 1.00 0.00 H ATOM 746 N PRO A 81 -14.789 22.464 -14.483 1.00 15.18 N ATOM 747 CA PRO A 81 -13.498 23.144 -14.721 1.00 16.96 C ATOM 748 C PRO A 81 -12.271 22.211 -14.778 1.00 19.56 C ATOM 749 O PRO A 81 -11.204 22.638 -15.192 1.00 20.77 O ATOM 750 CB PRO A 81 -13.377 24.124 -13.556 1.00 18.10 C ATOM 751 CG PRO A 81 -14.622 24.036 -12.781 1.00 22.81 C ATOM 752 CD PRO A 81 -15.383 22.826 -13.183 1.00 17.96 C ATOM 753 N VAL A 82 -12.413 20.937 -14.353 1.00 14.61 N ATOM 754 CA VAL A 82 -11.327 19.950 -14.321 1.00 14.27 C ATOM 755 C VAL A 82 -11.940 18.542 -14.396 1.00 12.50 C ATOM 756 O VAL A 82 -13.041 18.334 -13.885 1.00 12.18 O ATOM 757 CB VAL A 82 -10.475 20.130 -13.023 1.00 20.29 C ATOM 758 CG1 VAL A 82 -11.298 19.899 -11.789 1.00 21.10 C ATOM 759 CG2 VAL A 82 -9.245 19.232 -13.000 1.00 20.59 C ATOM 760 H VAL A 82 -13.353 20.635 -14.027 1.00 0.00 H ATOM 761 N ASN A 83 -11.229 17.581 -15.014 1.00 10.30 N ATOM 762 CA ASN A 83 -11.704 16.189 -15.042 1.00 8.62 C ATOM 763 C ASN A 83 -11.622 15.668 -13.602 1.00 11.21 C ATOM 764 O ASN A 83 -10.565 15.765 -12.961 1.00 10.89 O ATOM 765 CB ASN A 83 -10.826 15.307 -15.909 1.00 10.94 C ATOM 766 CG ASN A 83 -10.889 15.684 -17.359 1.00 15.34 C ATOM 767 OD1 ASN A 83 -11.961 15.980 -17.891 1.00 12.94 O ATOM 768 ND2 ASN A 83 -9.747 15.671 -18.030 1.00 13.53 N ATOM 769 HD22 ASN A 83 -8.862 15.416 -17.546 1.00 0.00 H ATOM 770 HD21 ASN A 83 -9.735 15.916 -19.041 1.00 0.00 H ATOM 771 H ASN A 83 -10.331 17.826 -15.478 1.00 0.00 H ATOM 772 N ILE A 84 -12.729 15.100 -13.111 1.00 7.89 N ATOM 773 CA ILE A 84 -12.821 14.557 -11.743 1.00 8.17 C ATOM 774 C ILE A 84 -13.126 13.064 -11.737 1.00 10.05 C ATOM 775 O ILE A 84 -14.118 12.627 -12.346 1.00 8.80 O ATOM 776 CB ILE A 84 -13.982 15.289 -11.002 1.00 10.52 C ATOM 777 CG1 ILE A 84 -13.666 16.781 -10.798 1.00 11.55 C ATOM 778 CG2 ILE A 84 -14.374 14.581 -9.674 1.00 12.91 C ATOM 779 CD1 ILE A 84 -14.904 17.615 -10.494 1.00 16.71 C ATOM 780 H ILE A 84 -13.566 15.038 -13.725 1.00 0.00 H ATOM 781 N ILE A 85 -12.324 12.291 -10.989 1.00 7.78 N ATOM 782 CA ILE A 85 -12.601 10.877 -10.737 1.00 7.45 C ATOM 783 C ILE A 85 -13.240 10.871 -9.334 1.00 8.91 C ATOM 784 O ILE A 85 -12.586 11.223 -8.338 1.00 8.06 O ATOM 785 CB ILE A 85 -11.347 9.992 -10.754 1.00 9.33 C ATOM 786 CG1 ILE A 85 -10.552 10.144 -12.079 1.00 9.97 C ATOM 787 CG2 ILE A 85 -11.734 8.531 -10.467 1.00 10.70 C ATOM 788 CD1 ILE A 85 -11.372 9.848 -13.354 1.00 12.44 C ATOM 789 H ILE A 85 -11.471 12.714 -10.571 1.00 0.00 H ATOM 790 N GLY A 86 -14.525 10.532 -9.281 1.00 6.92 N ATOM 791 CA GLY A 86 -15.294 10.525 -8.047 1.00 7.51 C ATOM 792 C GLY A 86 -15.336 9.164 -7.401 1.00 7.92 C ATOM 793 O GLY A 86 -14.766 8.190 -7.913 1.00 8.07 O ATOM 794 H GLY A 86 -15.002 10.259 -10.164 1.00 0.00 H ATOM 795 N ARG A 87 -16.026 9.104 -6.263 1.00 7.36 N ATOM 796 CA ARG A 87 -16.068 7.874 -5.476 1.00 6.58 C ATOM 797 C ARG A 87 -16.558 6.653 -6.214 1.00 8.96 C ATOM 798 O ARG A 87 -16.095 5.545 -5.933 1.00 10.03 O ATOM 799 CB ARG A 87 -16.889 8.064 -4.207 1.00 8.37 C ATOM 800 CG ARG A 87 -16.280 9.065 -3.206 1.00 7.61 C ATOM 801 CD ARG A 87 -17.061 9.018 -1.868 1.00 8.31 C ATOM 802 NE ARG A 87 -18.435 9.494 -2.049 1.00 8.35 N ATOM 803 CZ ARG A 87 -19.509 8.714 -2.132 1.00 9.86 C ATOM 804 NH1 ARG A 87 -20.713 9.250 -2.344 1.00 9.87 N ATOM 805 NH2 ARG A 87 -19.399 7.397 -1.971 1.00 9.05 N ATOM 806 HE ARG A 87 -18.582 10.521 -2.118 1.00 0.00 H ATOM 807 HH12 ARG A 87 -21.551 8.637 -2.408 1.00 0.00 H ATOM 808 HH11 ARG A 87 -20.813 10.280 -2.445 1.00 0.00 H ATOM 809 HH22 ARG A 87 -20.243 6.793 -2.037 1.00 0.00 H ATOM 810 HH21 ARG A 87 -18.469 6.972 -1.779 1.00 0.00 H ATOM 811 H ARG A 87 -16.542 9.944 -5.931 1.00 0.00 H ATOM 812 N ASN A 88 -17.485 6.830 -7.156 1.00 6.96 N ATOM 813 CA ASN A 88 -18.011 5.671 -7.872 1.00 6.60 C ATOM 814 C ASN A 88 -16.925 4.860 -8.584 1.00 9.04 C ATOM 815 O ASN A 88 -17.094 3.648 -8.726 1.00 8.93 O ATOM 816 CB ASN A 88 -19.114 6.083 -8.844 1.00 7.84 C ATOM 817 CG ASN A 88 -18.603 6.777 -10.081 1.00 11.64 C ATOM 818 OD1 ASN A 88 -17.858 7.764 -9.996 1.00 9.55 O ATOM 819 ND2 ASN A 88 -18.995 6.258 -11.243 1.00 10.14 N ATOM 820 HD22 ASN A 88 -19.621 5.428 -11.257 1.00 0.00 H ATOM 821 HD21 ASN A 88 -18.675 6.683 -12.137 1.00 0.00 H ATOM 822 H ASN A 88 -17.830 7.785 -7.379 1.00 0.00 H ATOM 823 N LEU A 89 -15.826 5.519 -9.045 1.00 7.53 N ATOM 824 CA LEU A 89 -14.718 4.778 -9.675 1.00 7.24 C ATOM 825 C LEU A 89 -13.548 4.610 -8.716 1.00 8.90 C ATOM 826 O LEU A 89 -12.813 3.620 -8.816 1.00 9.31 O ATOM 827 CB LEU A 89 -14.245 5.423 -10.980 1.00 7.77 C ATOM 828 CG LEU A 89 -15.329 5.536 -12.049 1.00 11.66 C ATOM 829 CD1 LEU A 89 -14.794 6.289 -13.264 1.00 12.68 C ATOM 830 CD2 LEU A 89 -15.831 4.178 -12.454 1.00 14.83 C ATOM 831 H LEU A 89 -15.768 6.553 -8.952 1.00 0.00 H ATOM 832 N LEU A 90 -13.383 5.537 -7.730 1.00 7.99 N ATOM 833 CA LEU A 90 -12.282 5.373 -6.761 1.00 7.38 C ATOM 834 C LEU A 90 -12.437 4.075 -5.968 1.00 9.52 C ATOM 835 O LEU A 90 -11.439 3.424 -5.676 1.00 10.01 O ATOM 836 CB LEU A 90 -12.202 6.553 -5.789 1.00 8.06 C ATOM 837 CG LEU A 90 -11.833 7.908 -6.406 1.00 9.49 C ATOM 838 CD1 LEU A 90 -11.927 8.997 -5.362 1.00 9.98 C ATOM 839 CD2 LEU A 90 -10.430 7.887 -6.920 1.00 12.02 C ATOM 840 H LEU A 90 -14.026 6.351 -7.661 1.00 0.00 H ATOM 841 N THR A 91 -13.671 3.674 -5.659 1.00 8.49 N ATOM 842 CA THR A 91 -13.865 2.417 -4.917 1.00 7.74 C ATOM 843 C THR A 91 -13.379 1.224 -5.739 1.00 9.44 C ATOM 844 O THR A 91 -12.818 0.277 -5.174 1.00 10.31 O ATOM 845 CB THR A 91 -15.332 2.180 -4.643 1.00 8.26 C ATOM 846 OG1 THR A 91 -16.081 2.188 -5.861 1.00 7.99 O ATOM 847 CG2 THR A 91 -15.909 3.183 -3.679 1.00 10.00 C ATOM 848 HG1 THR A 91 -17.038 2.031 -5.660 1.00 0.00 H ATOM 849 H THR A 91 -14.492 4.246 -5.941 1.00 0.00 H ATOM 850 N GLN A 92 -13.582 1.277 -7.070 1.00 7.91 N ATOM 851 CA GLN A 92 -13.237 0.158 -7.965 1.00 7.56 C ATOM 852 C GLN A 92 -11.758 -0.121 -8.054 1.00 10.39 C ATOM 853 O GLN A 92 -11.361 -1.266 -8.311 1.00 10.36 O ATOM 854 CB GLN A 92 -13.836 0.364 -9.368 1.00 8.23 C ATOM 855 CG GLN A 92 -15.352 0.574 -9.371 1.00 8.42 C ATOM 856 CD GLN A 92 -16.082 -0.566 -8.737 1.00 11.09 C ATOM 857 OE1 GLN A 92 -16.489 -0.512 -7.564 1.00 12.24 O ATOM 858 NE2 GLN A 92 -16.245 -1.620 -9.479 1.00 6.14 N ATOM 859 HE22 GLN A 92 -15.890 -1.628 -10.457 1.00 0.00 H ATOM 860 HE21 GLN A 92 -16.730 -2.456 -9.095 1.00 0.00 H ATOM 861 H GLN A 92 -13.997 2.138 -7.480 1.00 0.00 H ATOM 862 N ILE A 93 -10.928 0.913 -7.833 1.00 9.25 N ATOM 863 CA ILE A 93 -9.474 0.741 -7.869 1.00 9.02 C ATOM 864 C ILE A 93 -8.904 0.491 -6.457 1.00 12.41 C ATOM 865 O ILE A 93 -7.679 0.373 -6.304 1.00 13.51 O ATOM 866 CB ILE A 93 -8.765 1.897 -8.622 1.00 11.37 C ATOM 867 CG1 ILE A 93 -8.804 3.217 -7.794 1.00 12.33 C ATOM 868 CG2 ILE A 93 -9.368 2.083 -10.037 1.00 13.07 C ATOM 869 CD1 ILE A 93 -8.030 4.390 -8.438 1.00 13.39 C ATOM 870 H ILE A 93 -11.326 1.853 -7.633 1.00 0.00 H ATOM 871 N GLY A 94 -9.784 0.395 -5.440 1.00 10.13 N ATOM 872 CA GLY A 94 -9.373 0.148 -4.062 1.00 10.63 C ATOM 873 C GLY A 94 -8.750 1.368 -3.418 1.00 13.72 C ATOM 874 O GLY A 94 -7.905 1.231 -2.530 1.00 14.75 O ATOM 875 H GLY A 94 -10.798 0.501 -5.646 1.00 0.00 H ATOM 876 N CYS A 95 -9.185 2.581 -3.823 1.00 11.11 N ATOM 877 CA CYS A 95 -8.625 3.797 -3.262 1.00 10.65 C ATOM 878 C CYS A 95 -9.170 4.099 -1.881 1.00 13.70 C ATOM 879 O CYS A 95 -10.386 4.097 -1.685 1.00 13.62 O ATOM 880 CB CYS A 95 -8.869 4.960 -4.216 1.00 10.84 C ATOM 881 SG CYS A 95 -8.028 6.488 -3.729 1.00 14.28 S ATOM 882 H CYS A 95 -9.930 2.644 -4.546 1.00 0.00 H ATOM 883 N THR A 96 -8.269 4.362 -0.923 1.00 10.38 N ATOM 884 CA THR A 96 -8.684 4.719 0.439 1.00 9.48 C ATOM 885 C THR A 96 -7.981 5.994 0.909 1.00 11.37 C ATOM 886 O THR A 96 -6.929 6.363 0.356 1.00 10.37 O ATOM 887 CB THR A 96 -8.353 3.594 1.447 1.00 14.45 C ATOM 888 OG1 THR A 96 -6.948 3.355 1.406 1.00 14.54 O ATOM 889 CG2 THR A 96 -9.158 2.307 1.202 1.00 16.62 C ATOM 890 HG1 THR A 96 -6.466 4.184 1.652 1.00 0.00 H ATOM 891 H THR A 96 -7.255 4.312 -1.150 1.00 0.00 H ATOM 892 N LEU A 97 -8.557 6.660 1.937 1.00 9.61 N ATOM 893 CA LEU A 97 -7.948 7.806 2.614 1.00 9.94 C ATOM 894 C LEU A 97 -7.281 7.231 3.846 1.00 12.49 C ATOM 895 O LEU A 97 -7.870 6.368 4.508 1.00 13.36 O ATOM 896 CB LEU A 97 -9.003 8.817 3.081 1.00 10.53 C ATOM 897 CG LEU A 97 -9.606 9.667 1.993 1.00 15.30 C ATOM 898 CD1 LEU A 97 -10.921 10.245 2.470 1.00 15.56 C ATOM 899 CD2 LEU A 97 -8.646 10.787 1.598 1.00 19.53 C ATOM 900 H LEU A 97 -9.489 6.338 2.266 1.00 0.00 H ATOM 901 N ASN A 98 -6.062 7.662 4.147 1.00 10.73 N ATOM 902 CA ASN A 98 -5.347 7.110 5.290 1.00 11.16 C ATOM 903 C ASN A 98 -4.664 8.180 6.073 1.00 12.21 C ATOM 904 O ASN A 98 -4.011 9.036 5.488 1.00 13.45 O ATOM 905 CB ASN A 98 -4.290 6.113 4.808 1.00 13.34 C ATOM 906 CG ASN A 98 -4.896 4.919 4.126 1.00 17.30 C ATOM 907 OD1 ASN A 98 -5.234 4.963 2.939 1.00 15.82 O ATOM 908 ND2 ASN A 98 -5.077 3.844 4.872 1.00 17.70 N ATOM 909 HD22 ASN A 98 -4.779 3.846 5.868 1.00 0.00 H ATOM 910 HD21 ASN A 98 -5.518 2.995 4.463 1.00 0.00 H ATOM 911 H ASN A 98 -5.615 8.398 3.564 1.00 0.00 H ATOM 912 N PHE A 99 -4.806 8.119 7.404 1.00 12.48 N ATOM 913 CA PHE A 99 -4.153 9.045 8.331 1.00 12.42 C ATOM 914 C PHE A 99 -4.048 8.416 9.731 1.00 18.65 C ATOM 915 O PHE A 99 -3.540 9.070 10.666 1.00 23.34 O ATOM 916 CB PHE A 99 -4.802 10.450 8.350 1.00 13.81 C ATOM 917 CG PHE A 99 -6.258 10.513 8.739 1.00 16.28 C ATOM 918 CD1 PHE A 99 -6.633 10.866 10.027 1.00 20.61 C ATOM 919 CD2 PHE A 99 -7.255 10.259 7.805 1.00 18.83 C ATOM 920 CE1 PHE A 99 -7.982 10.940 10.384 1.00 22.05 C ATOM 921 CE2 PHE A 99 -8.604 10.327 8.162 1.00 22.86 C ATOM 922 CZ PHE A 99 -8.960 10.664 9.449 1.00 22.41 C ATOM 923 OXT PHE A 99 -4.435 7.237 9.876 1.00 22.08 O ATOM 924 H PHE A 99 -5.413 7.373 7.800 1.00 0.00 H TER 925 PHE A 99 ATOM 926 N PRO B 1 -6.802 6.245 10.813 1.00 24.06 N ATOM 927 CA PRO B 1 -7.698 5.238 10.227 1.00 23.03 C ATOM 928 C PRO B 1 -7.536 5.095 8.718 1.00 22.51 C ATOM 929 O PRO B 1 -6.818 5.881 8.094 1.00 21.06 O ATOM 930 CB PRO B 1 -9.096 5.750 10.593 1.00 25.78 C ATOM 931 CG PRO B 1 -8.938 7.212 10.815 1.00 30.80 C ATOM 932 CD PRO B 1 -7.533 7.437 11.288 1.00 26.17 C ATOM 933 HN2 PRO B 1 -6.113 6.540 10.092 1.00 0.00 H ATOM 934 HN1 PRO B 1 -6.299 5.818 11.617 1.00 0.00 H ATOM 935 N GLN B 2 -8.179 4.069 8.143 1.00 17.92 N ATOM 936 CA GLN B 2 -8.209 3.822 6.702 1.00 16.79 C ATOM 937 C GLN B 2 -9.689 3.964 6.340 1.00 20.00 C ATOM 938 O GLN B 2 -10.544 3.258 6.893 1.00 20.88 O ATOM 939 CB GLN B 2 -7.663 2.432 6.334 1.00 17.99 C ATOM 940 CG GLN B 2 -7.965 2.045 4.883 1.00 24.05 C ATOM 941 CD GLN B 2 -7.081 0.939 4.382 1.00 32.16 C ATOM 942 OE1 GLN B 2 -5.881 1.116 4.171 1.00 27.78 O ATOM 943 NE2 GLN B 2 -7.665 -0.225 4.160 1.00 30.05 N ATOM 944 HE22 GLN B 2 -8.681 -0.341 4.349 1.00 0.00 H ATOM 945 HE21 GLN B 2 -7.109 -1.025 3.796 1.00 0.00 H ATOM 946 H GLN B 2 -8.689 3.406 8.761 1.00 0.00 H ATOM 947 N ILE B 3 -9.997 4.910 5.457 1.00 12.78 N ATOM 948 CA ILE B 3 -11.384 5.161 5.097 1.00 11.94 C ATOM 949 C ILE B 3 -11.650 4.772 3.660 1.00 13.65 C ATOM 950 O ILE B 3 -11.012 5.301 2.742 1.00 12.58 O ATOM 951 CB ILE B 3 -11.783 6.645 5.367 1.00 13.51 C ATOM 952 CG1 ILE B 3 -11.631 7.012 6.856 1.00 13.86 C ATOM 953 CG2 ILE B 3 -13.217 6.941 4.887 1.00 13.67 C ATOM 954 CD1 ILE B 3 -11.716 8.509 7.152 1.00 17.60 C ATOM 955 H ILE B 3 -9.240 5.475 5.021 1.00 0.00 H ATOM 956 N THR B 4 -12.601 3.834 3.461 1.00 12.43 N ATOM 957 CA THR B 4 -13.026 3.421 2.131 1.00 11.24 C ATOM 958 C THR B 4 -14.006 4.460 1.595 1.00 12.60 C ATOM 959 O THR B 4 -14.479 5.340 2.334 1.00 12.54 O ATOM 960 CB THR B 4 -13.611 2.020 2.128 1.00 12.58 C ATOM 961 OG1 THR B 4 -14.737 1.994 2.996 1.00 14.91 O ATOM 962 CG2 THR B 4 -12.578 0.956 2.530 1.00 17.67 C ATOM 963 HG1 THR B 4 -15.127 1.084 3.002 1.00 0.00 H ATOM 964 H THR B 4 -13.047 3.390 4.289 1.00 0.00 H ATOM 965 N LEU B 5 -14.337 4.348 0.308 1.00 8.66 N ATOM 966 CA LEU B 5 -15.132 5.408 -0.321 1.00 7.46 C ATOM 967 C LEU B 5 -16.488 4.976 -0.868 1.00 9.63 C ATOM 968 O LEU B 5 -17.067 5.646 -1.716 1.00 8.84 O ATOM 969 CB LEU B 5 -14.256 6.030 -1.416 1.00 7.78 C ATOM 970 CG LEU B 5 -12.964 6.719 -0.881 1.00 10.93 C ATOM 971 CD1 LEU B 5 -12.032 7.114 -2.024 1.00 10.61 C ATOM 972 CD2 LEU B 5 -13.315 7.958 -0.032 1.00 10.20 C ATOM 973 H LEU B 5 -14.035 3.519 -0.243 1.00 0.00 H ATOM 974 N TRP B 6 -17.025 3.860 -0.350 1.00 8.85 N ATOM 975 CA TRP B 6 -18.341 3.350 -0.742 1.00 9.51 C ATOM 976 C TRP B 6 -19.445 4.315 -0.328 1.00 11.64 C ATOM 977 O TRP B 6 -20.489 4.370 -0.971 1.00 13.04 O ATOM 978 CB TRP B 6 -18.556 1.939 -0.180 1.00 8.49 C ATOM 979 CG TRP B 6 -17.460 1.003 -0.599 1.00 8.44 C ATOM 980 CD1 TRP B 6 -16.367 0.632 0.131 1.00 11.01 C ATOM 981 CD2 TRP B 6 -17.321 0.372 -1.880 1.00 8.14 C ATOM 982 NE1 TRP B 6 -15.559 -0.196 -0.611 1.00 10.57 N ATOM 983 CE2 TRP B 6 -16.131 -0.388 -1.844 1.00 10.95 C ATOM 984 CE3 TRP B 6 -18.123 0.327 -3.042 1.00 8.99 C ATOM 985 CZ2 TRP B 6 -15.700 -1.158 -2.931 1.00 10.09 C ATOM 986 CZ3 TRP B 6 -17.679 -0.418 -4.127 1.00 9.66 C ATOM 987 CH2 TRP B 6 -16.488 -1.163 -4.056 1.00 10.02 C ATOM 988 HE1 TRP B 6 -14.660 -0.610 -0.290 1.00 0.00 H ATOM 989 H TRP B 6 -16.481 3.333 0.363 1.00 0.00 H ATOM 990 N GLN B 7 -19.179 5.089 0.746 1.00 10.23 N ATOM 991 CA GLN B 7 -20.082 6.133 1.215 1.00 9.75 C ATOM 992 C GLN B 7 -19.261 7.422 1.323 1.00 12.22 C ATOM 993 O GLN B 7 -18.026 7.382 1.251 1.00 10.63 O ATOM 994 CB GLN B 7 -20.770 5.771 2.544 1.00 11.30 C ATOM 995 CG GLN B 7 -19.814 5.478 3.698 1.00 15.20 C ATOM 996 CD GLN B 7 -20.548 4.909 4.884 1.00 34.42 C ATOM 997 OE1 GLN B 7 -20.973 3.747 4.887 1.00 30.69 O ATOM 998 NE2 GLN B 7 -20.716 5.717 5.916 1.00 23.67 N ATOM 999 HE22 GLN B 7 -20.346 6.688 5.881 1.00 0.00 H ATOM 1000 HE21 GLN B 7 -21.218 5.381 6.763 1.00 0.00 H ATOM 1001 H GLN B 7 -18.290 4.933 1.262 1.00 0.00 H ATOM 1002 N ARG B 8 -19.935 8.550 1.480 1.00 9.73 N ATOM 1003 CA ARG B 8 -19.207 9.807 1.606 1.00 9.29 C ATOM 1004 C ARG B 8 -18.284 9.750 2.861 1.00 11.05 C ATOM 1005 O ARG B 8 -18.734 9.323 3.925 1.00 10.77 O ATOM 1006 CB ARG B 8 -20.188 10.964 1.781 1.00 8.92 C ATOM 1007 CG ARG B 8 -20.976 11.254 0.522 1.00 10.75 C ATOM 1008 CD ARG B 8 -22.058 12.276 0.776 1.00 16.29 C ATOM 1009 NE ARG B 8 -22.819 12.549 -0.446 1.00 16.14 N ATOM 1010 CZ ARG B 8 -24.104 12.897 -0.469 1.00 22.89 C ATOM 1011 NH1 ARG B 8 -24.709 13.146 -1.622 1.00 17.82 N ATOM 1012 NH2 ARG B 8 -24.788 13.020 0.664 1.00 21.13 N ATOM 1013 HE ARG B 8 -22.322 12.465 -1.356 1.00 0.00 H ATOM 1014 HH12 ARG B 8 -25.713 13.417 -1.635 1.00 0.00 H ATOM 1015 HH11 ARG B 8 -24.180 13.070 -2.514 1.00 0.00 H ATOM 1016 HH22 ARG B 8 -25.791 13.292 0.639 1.00 0.00 H ATOM 1017 HH21 ARG B 8 -24.320 12.844 1.576 1.00 0.00 H ATOM 1018 H ARG B 8 -20.974 8.540 1.513 1.00 0.00 H ATOM 1019 N PRO B 9 -17.018 10.213 2.755 1.00 8.62 N ATOM 1020 CA PRO B 9 -16.106 10.200 3.914 1.00 9.28 C ATOM 1021 C PRO B 9 -16.391 11.372 4.862 1.00 10.14 C ATOM 1022 O PRO B 9 -15.650 12.355 4.922 1.00 9.61 O ATOM 1023 CB PRO B 9 -14.717 10.290 3.262 1.00 10.85 C ATOM 1024 CG PRO B 9 -14.954 11.040 1.997 1.00 12.47 C ATOM 1025 CD PRO B 9 -16.334 10.645 1.516 1.00 9.16 C ATOM 1026 N LEU B 10 -17.507 11.266 5.571 1.00 9.50 N ATOM 1027 CA LEU B 10 -17.953 12.262 6.534 1.00 9.62 C ATOM 1028 C LEU B 10 -17.371 11.933 7.890 1.00 13.02 C ATOM 1029 O LEU B 10 -17.392 10.764 8.327 1.00 14.89 O ATOM 1030 CB LEU B 10 -19.477 12.266 6.604 1.00 10.77 C ATOM 1031 CG LEU B 10 -20.185 12.789 5.367 1.00 14.98 C ATOM 1032 CD1 LEU B 10 -21.641 12.331 5.343 1.00 17.67 C ATOM 1033 CD2 LEU B 10 -20.111 14.320 5.286 1.00 18.18 C ATOM 1034 H LEU B 10 -18.098 10.422 5.431 1.00 0.00 H ATOM 1035 N VAL B 11 -16.816 12.949 8.551 1.00 10.14 N ATOM 1036 CA VAL B 11 -16.199 12.779 9.863 1.00 9.83 C ATOM 1037 C VAL B 11 -16.664 13.889 10.772 1.00 10.98 C ATOM 1038 O VAL B 11 -17.222 14.882 10.311 1.00 10.16 O ATOM 1039 CB VAL B 11 -14.649 12.766 9.783 1.00 12.82 C ATOM 1040 CG1 VAL B 11 -14.141 11.645 8.872 1.00 13.61 C ATOM 1041 CG2 VAL B 11 -14.097 14.124 9.343 1.00 12.37 C ATOM 1042 H VAL B 11 -16.823 13.894 8.117 1.00 0.00 H ATOM 1043 N THR B 12 -16.427 13.736 12.066 1.00 8.55 N ATOM 1044 CA THR B 12 -16.758 14.787 13.016 1.00 8.34 C ATOM 1045 C THR B 12 -15.536 15.709 13.156 1.00 10.39 C ATOM 1046 O THR B 12 -14.380 15.253 13.251 1.00 11.19 O ATOM 1047 CB THR B 12 -17.095 14.180 14.394 1.00 13.40 C ATOM 1048 OG1 THR B 12 -18.216 13.313 14.236 1.00 15.81 O ATOM 1049 CG2 THR B 12 -17.427 15.261 15.439 1.00 15.69 C ATOM 1050 HG1 THR B 12 -18.448 12.913 15.111 1.00 0.00 H ATOM 1051 H THR B 12 -15.998 12.852 12.408 1.00 0.00 H ATOM 1052 N ILE B 13 -15.806 17.004 13.170 1.00 8.64 N ATOM 1053 CA ILE B 13 -14.798 18.027 13.410 1.00 7.61 C ATOM 1054 C ILE B 13 -15.233 18.811 14.647 1.00 10.63 C ATOM 1055 O ILE B 13 -16.414 18.808 15.024 1.00 10.12 O ATOM 1056 CB ILE B 13 -14.583 18.975 12.184 1.00 9.38 C ATOM 1057 CG1 ILE B 13 -15.859 19.786 11.860 1.00 10.05 C ATOM 1058 CG2 ILE B 13 -14.072 18.189 10.939 1.00 11.05 C ATOM 1059 CD1 ILE B 13 -15.591 21.054 10.937 1.00 13.13 C ATOM 1060 H ILE B 13 -16.787 17.306 13.001 1.00 0.00 H ATOM 1061 N LYS B 14 -14.292 19.484 15.275 1.00 8.32 N ATOM 1062 CA LYS B 14 -14.603 20.350 16.414 1.00 8.32 C ATOM 1063 C LYS B 14 -13.973 21.710 16.125 1.00 9.90 C ATOM 1064 O LYS B 14 -12.773 21.805 15.832 1.00 10.79 O ATOM 1065 CB LYS B 14 -14.059 19.784 17.728 1.00 9.97 C ATOM 1066 CG LYS B 14 -14.412 20.696 18.903 1.00 12.37 C ATOM 1067 CD LYS B 14 -14.252 20.007 20.248 1.00 15.10 C ATOM 1068 CE LYS B 14 -12.857 19.621 20.584 1.00 19.47 C ATOM 1069 NZ LYS B 14 -12.783 19.157 22.001 1.00 21.46 N ATOM 1070 HZ1 LYS B 14 -13.088 19.925 22.632 1.00 0.00 H ATOM 1071 HZ2 LYS B 14 -13.406 18.334 22.128 1.00 0.00 H ATOM 1072 HZ3 LYS B 14 -11.804 18.889 22.226 1.00 0.00 H ATOM 1073 H LYS B 14 -13.306 19.399 14.955 1.00 0.00 H ATOM 1074 N ILE B 15 -14.778 22.765 16.205 1.00 8.41 N ATOM 1075 CA ILE B 15 -14.286 24.117 15.940 1.00 8.04 C ATOM 1076 C ILE B 15 -15.109 25.056 16.823 1.00 13.18 C ATOM 1077 O ILE B 15 -16.340 24.934 16.893 1.00 12.07 O ATOM 1078 CB ILE B 15 -14.380 24.440 14.411 1.00 10.29 C ATOM 1079 CG1 ILE B 15 -13.770 25.825 14.085 1.00 10.09 C ATOM 1080 CG2 ILE B 15 -15.846 24.299 13.868 1.00 11.37 C ATOM 1081 CD1 ILE B 15 -13.585 26.066 12.561 1.00 11.99 C ATOM 1082 H ILE B 15 -15.776 22.627 16.461 1.00 0.00 H ATOM 1083 N GLY B 16 -14.427 25.966 17.501 1.00 12.22 N ATOM 1084 CA GLY B 16 -15.114 26.884 18.411 1.00 12.23 C ATOM 1085 C GLY B 16 -15.859 26.161 19.525 1.00 16.16 C ATOM 1086 O GLY B 16 -16.892 26.641 19.998 1.00 17.66 O ATOM 1087 H GLY B 16 -13.395 26.029 17.386 1.00 0.00 H ATOM 1088 N GLY B 17 -15.338 25.008 19.916 1.00 12.99 N ATOM 1089 CA GLY B 17 -15.908 24.151 20.956 1.00 13.80 C ATOM 1090 C GLY B 17 -17.147 23.381 20.537 1.00 17.31 C ATOM 1091 O GLY B 17 -17.766 22.707 21.372 1.00 17.59 O ATOM 1092 H GLY B 17 -14.463 24.690 19.452 1.00 0.00 H ATOM 1093 N GLN B 18 -17.518 23.440 19.241 1.00 12.31 N ATOM 1094 CA GLN B 18 -18.711 22.762 18.743 1.00 12.93 C ATOM 1095 C GLN B 18 -18.393 21.680 17.749 1.00 13.82 C ATOM 1096 O GLN B 18 -17.465 21.820 16.953 1.00 12.44 O ATOM 1097 CB GLN B 18 -19.663 23.767 18.079 1.00 15.32 C ATOM 1098 CG GLN B 18 -20.222 24.852 19.024 1.00 29.67 C ATOM 1099 CD GLN B 18 -20.974 24.331 20.241 1.00 51.28 C ATOM 1100 OE1 GLN B 18 -21.686 23.318 20.202 1.00 48.61 O ATOM 1101 NE2 GLN B 18 -20.833 25.025 21.357 1.00 45.10 N ATOM 1102 HE22 GLN B 18 -20.231 25.873 21.370 1.00 0.00 H ATOM 1103 HE21 GLN B 18 -21.324 24.723 22.223 1.00 0.00 H ATOM 1104 H GLN B 18 -16.935 23.986 18.575 1.00 0.00 H ATOM 1105 N LEU B 19 -19.169 20.604 17.781 1.00 10.29 N ATOM 1106 CA LEU B 19 -19.021 19.501 16.849 1.00 8.75 C ATOM 1107 C LEU B 19 -19.827 19.769 15.590 1.00 11.06 C ATOM 1108 O LEU B 19 -20.964 20.247 15.639 1.00 13.17 O ATOM 1109 CB LEU B 19 -19.508 18.187 17.469 1.00 8.52 C ATOM 1110 CG LEU B 19 -18.775 17.718 18.744 1.00 12.81 C ATOM 1111 CD1 LEU B 19 -19.294 16.338 19.168 1.00 13.96 C ATOM 1112 CD2 LEU B 19 -17.250 17.647 18.538 1.00 13.03 C ATOM 1113 H LEU B 19 -19.914 20.549 18.504 1.00 0.00 H ATOM 1114 N LYS B 20 -19.234 19.441 14.447 1.00 8.45 N ATOM 1115 CA LYS B 20 -19.903 19.548 13.154 1.00 7.59 C ATOM 1116 C LYS B 20 -19.505 18.335 12.336 1.00 10.23 C ATOM 1117 O LYS B 20 -18.513 17.670 12.647 1.00 10.74 O ATOM 1118 CB LYS B 20 -19.444 20.794 12.379 1.00 9.35 C ATOM 1119 CG LYS B 20 -19.824 22.117 13.041 1.00 10.93 C ATOM 1120 CD LYS B 20 -19.193 23.292 12.301 1.00 11.07 C ATOM 1121 CE LYS B 20 -19.456 24.614 12.960 1.00 15.35 C ATOM 1122 NZ LYS B 20 -20.758 25.171 12.514 1.00 22.71 N ATOM 1123 HZ1 LYS B 20 -20.741 25.306 11.483 1.00 0.00 H ATOM 1124 HZ2 LYS B 20 -21.521 24.511 12.766 1.00 0.00 H ATOM 1125 HZ3 LYS B 20 -20.921 26.086 12.982 1.00 0.00 H ATOM 1126 H LYS B 20 -18.254 19.094 14.475 1.00 0.00 H ATOM 1127 N GLU B 21 -20.265 18.041 11.286 1.00 9.27 N ATOM 1128 CA GLU B 21 -19.941 16.958 10.365 1.00 10.03 C ATOM 1129 C GLU B 21 -19.290 17.609 9.140 1.00 10.54 C ATOM 1130 O GLU B 21 -19.768 18.641 8.656 1.00 9.85 O ATOM 1131 CB GLU B 21 -21.225 16.220 9.949 1.00 11.96 C ATOM 1132 CG GLU B 21 -21.037 15.076 8.969 1.00 24.31 C ATOM 1133 CD GLU B 21 -22.278 14.227 8.770 1.00 48.14 C ATOM 1134 OE1 GLU B 21 -23.285 14.751 8.238 1.00 42.86 O ATOM 1135 OE2 GLU B 21 -22.241 13.033 9.144 1.00 40.49 O ATOM 1136 H GLU B 21 -21.122 18.604 11.115 1.00 0.00 H ATOM 1137 N ALA B 22 -18.219 16.993 8.617 1.00 8.18 N ATOM 1138 CA ALA B 22 -17.557 17.540 7.456 1.00 7.92 C ATOM 1139 C ALA B 22 -17.039 16.442 6.545 1.00 10.26 C ATOM 1140 O ALA B 22 -16.751 15.331 6.995 1.00 9.68 O ATOM 1141 CB ALA B 22 -16.427 18.453 7.887 1.00 8.70 C ATOM 1142 H ALA B 22 -17.864 16.117 9.050 1.00 0.00 H ATOM 1143 N LEU B 23 -16.920 16.772 5.267 1.00 8.04 N ATOM 1144 CA LEU B 23 -16.499 15.834 4.238 1.00 7.58 C ATOM 1145 C LEU B 23 -14.997 15.947 3.971 1.00 9.97 C ATOM 1146 O LEU B 23 -14.506 17.057 3.716 1.00 10.20 O ATOM 1147 CB LEU B 23 -17.313 16.184 2.973 1.00 8.46 C ATOM 1148 CG LEU B 23 -17.152 15.301 1.774 1.00 12.78 C ATOM 1149 CD1 LEU B 23 -17.674 13.914 2.068 1.00 13.17 C ATOM 1150 CD2 LEU B 23 -17.892 15.915 0.594 1.00 12.78 C ATOM 1151 H LEU B 23 -17.138 17.749 4.986 1.00 0.00 H ATOM 1152 N LEU B 24 -14.256 14.818 4.008 1.00 8.37 N ATOM 1153 CA LEU B 24 -12.816 14.835 3.670 1.00 9.42 C ATOM 1154 C LEU B 24 -12.751 14.868 2.145 1.00 12.17 C ATOM 1155 O LEU B 24 -13.126 13.904 1.487 1.00 10.30 O ATOM 1156 CB LEU B 24 -12.105 13.608 4.240 1.00 9.58 C ATOM 1157 CG LEU B 24 -12.231 13.414 5.760 1.00 12.69 C ATOM 1158 CD1 LEU B 24 -11.425 12.211 6.208 1.00 13.25 C ATOM 1159 CD2 LEU B 24 -11.721 14.646 6.519 1.00 15.58 C ATOM 1160 H LEU B 24 -14.706 13.921 4.279 1.00 0.00 H ATOM 1161 N ASP B 25 -12.325 16.011 1.582 1.00 9.80 N ATOM 1162 CA ASP B 25 -12.375 16.242 0.145 1.00 9.33 C ATOM 1163 C ASP B 25 -11.029 16.493 -0.492 1.00 9.54 C ATOM 1164 O ASP B 25 -10.498 17.609 -0.450 1.00 10.30 O ATOM 1165 CB ASP B 25 -13.317 17.427 -0.076 1.00 10.89 C ATOM 1166 CG ASP B 25 -13.676 17.741 -1.498 1.00 18.85 C ATOM 1167 OD1 ASP B 25 -13.052 17.156 -2.415 1.00 19.93 O ATOM 1168 OD2 ASP B 25 -14.590 18.549 -1.699 1.00 22.32 O ATOM 1169 H ASP B 25 -11.945 16.760 2.196 1.00 0.00 H ATOM 1170 N THR B 26 -10.464 15.445 -1.103 1.00 8.54 N ATOM 1171 CA THR B 26 -9.153 15.593 -1.731 1.00 8.26 C ATOM 1172 C THR B 26 -9.184 16.469 -2.979 1.00 9.21 C ATOM 1173 O THR B 26 -8.107 16.907 -3.417 1.00 9.49 O ATOM 1174 CB THR B 26 -8.554 14.233 -2.049 1.00 8.86 C ATOM 1175 OG1 THR B 26 -9.430 13.543 -2.950 1.00 8.94 O ATOM 1176 CG2 THR B 26 -8.291 13.404 -0.794 1.00 10.15 C ATOM 1177 HG1 THR B 26 -9.528 14.070 -3.782 1.00 0.00 H ATOM 1178 H THR B 26 -10.956 14.529 -1.131 1.00 0.00 H ATOM 1179 N GLY B 27 -10.372 16.726 -3.537 1.00 7.66 N ATOM 1180 CA GLY B 27 -10.502 17.594 -4.716 1.00 7.38 C ATOM 1181 C GLY B 27 -10.544 19.068 -4.370 1.00 9.79 C ATOM 1182 O GLY B 27 -10.489 19.924 -5.261 1.00 10.04 O ATOM 1183 H GLY B 27 -11.227 16.300 -3.126 1.00 0.00 H ATOM 1184 N ALA B 28 -10.644 19.393 -3.073 1.00 7.92 N ATOM 1185 CA ALA B 28 -10.696 20.783 -2.631 1.00 9.13 C ATOM 1186 C ALA B 28 -9.327 21.241 -2.169 1.00 9.05 C ATOM 1187 O ALA B 28 -8.688 20.578 -1.328 1.00 8.96 O ATOM 1188 CB ALA B 28 -11.679 20.909 -1.484 1.00 9.49 C ATOM 1189 H ALA B 28 -10.686 18.634 -2.363 1.00 0.00 H ATOM 1190 N ASP B 29 -8.875 22.397 -2.681 1.00 7.63 N ATOM 1191 CA ASP B 29 -7.587 22.897 -2.222 1.00 7.11 C ATOM 1192 C ASP B 29 -7.688 23.435 -0.796 1.00 9.75 C ATOM 1193 O ASP B 29 -6.721 23.356 -0.040 1.00 12.08 O ATOM 1194 CB ASP B 29 -7.145 24.088 -3.093 1.00 8.96 C ATOM 1195 CG ASP B 29 -6.954 23.816 -4.578 1.00 15.21 C ATOM 1196 OD1 ASP B 29 -7.182 24.756 -5.386 1.00 18.54 O ATOM 1197 OD2 ASP B 29 -6.555 22.680 -4.939 1.00 10.57 O ATOM 1198 H ASP B 29 -9.430 22.921 -3.387 1.00 0.00 H ATOM 1199 N ASP B 30 -8.853 24.023 -0.456 1.00 9.18 N ATOM 1200 CA ASP B 30 -9.117 24.722 0.803 1.00 8.52 C ATOM 1201 C ASP B 30 -10.255 24.117 1.568 1.00 9.95 C ATOM 1202 O ASP B 30 -11.009 23.328 1.035 1.00 10.92 O ATOM 1203 CB ASP B 30 -9.495 26.189 0.459 1.00 11.00 C ATOM 1204 CG ASP B 30 -8.596 26.836 -0.582 1.00 20.14 C ATOM 1205 OD1 ASP B 30 -7.375 26.909 -0.343 1.00 20.40 O ATOM 1206 OD2 ASP B 30 -9.119 27.248 -1.648 1.00 23.21 O ATOM 1207 H ASP B 30 -9.629 23.976 -1.146 1.00 0.00 H ATOM 1208 N THR B 31 -10.417 24.538 2.824 1.00 8.04 N ATOM 1209 CA THR B 31 -11.470 24.090 3.727 1.00 6.38 C ATOM 1210 C THR B 31 -12.538 25.160 3.733 1.00 9.82 C ATOM 1211 O THR B 31 -12.235 26.343 3.937 1.00 9.46 O ATOM 1212 CB THR B 31 -10.842 23.899 5.107 1.00 8.99 C ATOM 1213 OG1 THR B 31 -9.976 22.765 5.032 1.00 8.41 O ATOM 1214 CG2 THR B 31 -11.878 23.687 6.220 1.00 10.02 C ATOM 1215 HG1 THR B 31 -9.275 22.931 4.353 1.00 0.00 H ATOM 1216 H THR B 31 -9.740 25.239 3.186 1.00 0.00 H ATOM 1217 N VAL B 32 -13.784 24.748 3.492 1.00 8.05 N ATOM 1218 CA VAL B 32 -14.885 25.688 3.498 1.00 8.34 C ATOM 1219 C VAL B 32 -15.999 25.157 4.366 1.00 9.78 C ATOM 1220 O VAL B 32 -16.495 24.037 4.178 1.00 8.47 O ATOM 1221 CB VAL B 32 -15.351 26.149 2.097 1.00 12.15 C ATOM 1222 CG1 VAL B 32 -15.843 24.978 1.270 1.00 11.59 C ATOM 1223 CG2 VAL B 32 -16.410 27.253 2.192 1.00 11.81 C ATOM 1224 H VAL B 32 -13.966 23.743 3.298 1.00 0.00 H ATOM 1225 N LEU B 33 -16.388 25.991 5.327 1.00 8.13 N ATOM 1226 CA LEU B 33 -17.446 25.636 6.261 1.00 7.38 C ATOM 1227 C LEU B 33 -18.654 26.518 6.037 1.00 9.40 C ATOM 1228 O LEU B 33 -18.533 27.673 5.625 1.00 8.45 O ATOM 1229 CB LEU B 33 -16.951 25.790 7.715 1.00 7.71 C ATOM 1230 CG LEU B 33 -15.721 24.944 8.110 1.00 10.63 C ATOM 1231 CD1 LEU B 33 -15.499 25.008 9.619 1.00 11.01 C ATOM 1232 CD2 LEU B 33 -15.890 23.494 7.733 1.00 12.40 C ATOM 1233 H LEU B 33 -15.925 26.918 5.413 1.00 0.00 H ATOM 1234 N GLU B 34 -19.832 25.975 6.334 1.00 8.72 N ATOM 1235 CA GLU B 34 -21.086 26.707 6.247 1.00 7.45 C ATOM 1236 C GLU B 34 -21.071 27.870 7.260 1.00 11.19 C ATOM 1237 O GLU B 34 -20.285 27.855 8.218 1.00 10.95 O ATOM 1238 CB GLU B 34 -22.209 25.731 6.618 1.00 8.64 C ATOM 1239 CG GLU B 34 -22.300 24.540 5.671 1.00 12.34 C ATOM 1240 CD GLU B 34 -23.157 23.381 6.143 1.00 14.61 C ATOM 1241 OE1 GLU B 34 -23.041 22.275 5.564 1.00 17.82 O ATOM 1242 OE2 GLU B 34 -23.964 23.579 7.074 1.00 14.50 O ATOM 1243 H GLU B 34 -19.857 24.982 6.642 1.00 0.00 H ATOM 1244 N GLU B 35 -21.937 28.878 7.046 1.00 9.56 N ATOM 1245 CA GLU B 35 -22.035 30.046 7.909 1.00 10.03 C ATOM 1246 C GLU B 35 -21.907 29.715 9.384 1.00 11.82 C ATOM 1247 O GLU B 35 -22.593 28.832 9.911 1.00 11.80 O ATOM 1248 CB GLU B 35 -23.333 30.814 7.633 1.00 11.22 C ATOM 1249 CG GLU B 35 -23.435 32.122 8.408 1.00 16.32 C ATOM 1250 CD GLU B 35 -22.265 33.082 8.248 1.00 20.06 C ATOM 1251 OE1 GLU B 35 -21.782 33.236 7.111 1.00 21.97 O ATOM 1252 OE2 GLU B 35 -21.840 33.689 9.256 1.00 28.80 O ATOM 1253 H GLU B 35 -22.568 28.819 6.222 1.00 0.00 H ATOM 1254 N MET B 36 -20.982 30.436 10.049 1.00 10.60 N ATOM 1255 CA MET B 36 -20.661 30.277 11.458 1.00 9.75 C ATOM 1256 C MET B 36 -19.864 31.491 11.900 1.00 13.21 C ATOM 1257 O MET B 36 -19.381 32.271 11.066 1.00 13.36 O ATOM 1258 CB MET B 36 -19.826 29.008 11.699 1.00 11.40 C ATOM 1259 CG MET B 36 -18.443 29.071 11.071 1.00 12.56 C ATOM 1260 SD MET B 36 -17.434 27.643 11.513 1.00 15.11 S ATOM 1261 CE MET B 36 -17.366 27.783 13.270 1.00 14.16 C ATOM 1262 H MET B 36 -20.460 31.159 9.515 1.00 0.00 H ATOM 1263 N ASN B 37 -19.718 31.624 13.217 1.00 12.13 N ATOM 1264 CA ASN B 37 -18.969 32.707 13.816 1.00 12.90 C ATOM 1265 C ASN B 37 -17.552 32.232 14.096 1.00 13.74 C ATOM 1266 O ASN B 37 -17.344 31.147 14.651 1.00 14.34 O ATOM 1267 CB ASN B 37 -19.609 33.120 15.158 1.00 19.07 C ATOM 1268 CG ASN B 37 -20.849 33.970 15.069 1.00 61.09 C ATOM 1269 OD1 ASN B 37 -21.839 33.610 14.429 1.00 61.51 O ATOM 1270 ND2 ASN B 37 -20.830 35.120 15.731 1.00 58.30 N ATOM 1271 HD22 ASN B 37 -19.981 35.400 16.263 1.00 0.00 H ATOM 1272 HD21 ASN B 37 -21.664 35.742 15.718 1.00 0.00 H ATOM 1273 H ASN B 37 -20.161 30.920 13.841 1.00 0.00 H ATOM 1274 N LEU B 38 -16.576 33.036 13.684 1.00 11.42 N ATOM 1275 CA LEU B 38 -15.169 32.766 13.975 1.00 10.71 C ATOM 1276 C LEU B 38 -14.517 34.038 14.507 1.00 13.70 C ATOM 1277 O LEU B 38 -14.986 35.134 14.193 1.00 13.08 O ATOM 1278 CB LEU B 38 -14.406 32.237 12.745 1.00 10.97 C ATOM 1279 CG LEU B 38 -14.681 30.782 12.381 1.00 12.85 C ATOM 1280 CD1 LEU B 38 -13.965 30.414 11.094 1.00 12.65 C ATOM 1281 CD2 LEU B 38 -14.226 29.837 13.516 1.00 13.29 C ATOM 1282 H LEU B 38 -16.822 33.885 13.136 1.00 0.00 H ATOM 1283 N PRO B 39 -13.449 33.911 15.306 1.00 11.57 N ATOM 1284 CA PRO B 39 -12.827 35.110 15.882 1.00 11.79 C ATOM 1285 C PRO B 39 -11.926 35.851 14.915 1.00 13.87 C ATOM 1286 O PRO B 39 -11.464 35.285 13.923 1.00 15.27 O ATOM 1287 CB PRO B 39 -12.005 34.548 17.055 1.00 13.20 C ATOM 1288 CG PRO B 39 -11.648 33.144 16.645 1.00 17.29 C ATOM 1289 CD PRO B 39 -12.835 32.666 15.824 1.00 13.27 C ATOM 1290 N GLY B 40 -11.631 37.098 15.261 1.00 12.58 N ATOM 1291 CA GLY B 40 -10.671 37.885 14.516 1.00 12.74 C ATOM 1292 C GLY B 40 -11.134 38.539 13.238 1.00 13.97 C ATOM 1293 O GLY B 40 -12.333 38.743 13.023 1.00 14.79 O ATOM 1294 H GLY B 40 -12.101 37.520 16.087 1.00 0.00 H ATOM 1295 N ARG B 41 -10.158 38.924 12.429 1.00 11.04 N ATOM 1296 CA ARG B 41 -10.460 39.563 11.155 1.00 10.46 C ATOM 1297 C ARG B 41 -10.499 38.519 10.062 1.00 12.34 C ATOM 1298 O ARG B 41 -9.868 37.453 10.166 1.00 13.43 O ATOM 1299 CB ARG B 41 -9.390 40.604 10.830 1.00 11.60 C ATOM 1300 CG ARG B 41 -9.531 41.831 11.727 1.00 12.84 C ATOM 1301 CD ARG B 41 -8.536 42.918 11.395 1.00 14.79 C ATOM 1302 NE ARG B 41 -8.667 43.455 10.035 1.00 12.46 N ATOM 1303 CZ ARG B 41 -9.584 44.340 9.644 1.00 10.74 C ATOM 1304 NH1 ARG B 41 -10.520 44.769 10.497 1.00 9.97 N ATOM 1305 NH2 ARG B 41 -9.589 44.787 8.392 1.00 11.65 N ATOM 1306 HE ARG B 41 -7.991 43.118 9.320 1.00 0.00 H ATOM 1307 HH12 ARG B 41 -11.232 45.460 10.184 1.00 0.00 H ATOM 1308 HH11 ARG B 41 -10.536 44.412 11.474 1.00 0.00 H ATOM 1309 HH22 ARG B 41 -10.305 45.477 8.089 1.00 0.00 H ATOM 1310 HH21 ARG B 41 -8.877 44.446 7.715 1.00 0.00 H ATOM 1311 H ARG B 41 -9.168 38.769 12.706 1.00 0.00 H ATOM 1312 N TRP B 42 -11.197 38.864 8.984 1.00 8.79 N ATOM 1313 CA TRP B 42 -11.278 38.028 7.810 1.00 9.21 C ATOM 1314 C TRP B 42 -10.844 38.814 6.583 1.00 11.01 C ATOM 1315 O TRP B 42 -10.861 40.054 6.587 1.00 9.17 O ATOM 1316 CB TRP B 42 -12.649 37.365 7.640 1.00 8.22 C ATOM 1317 CG TRP B 42 -13.803 38.313 7.456 1.00 8.38 C ATOM 1318 CD1 TRP B 42 -14.554 38.891 8.439 1.00 9.99 C ATOM 1319 CD2 TRP B 42 -14.386 38.719 6.210 1.00 8.03 C ATOM 1320 NE1 TRP B 42 -15.550 39.665 7.877 1.00 9.17 N ATOM 1321 CE2 TRP B 42 -15.454 39.596 6.513 1.00 9.36 C ATOM 1322 CE3 TRP B 42 -14.055 38.500 4.862 1.00 9.26 C ATOM 1323 CZ2 TRP B 42 -16.265 40.163 5.509 1.00 9.06 C ATOM 1324 CZ3 TRP B 42 -14.853 39.048 3.874 1.00 9.90 C ATOM 1325 CH2 TRP B 42 -15.934 39.890 4.197 1.00 9.59 C ATOM 1326 HE1 TRP B 42 -16.259 40.212 8.405 1.00 0.00 H ATOM 1327 H TRP B 42 -11.704 39.772 8.987 1.00 0.00 H ATOM 1328 N LYS B 43 -10.446 38.089 5.534 1.00 9.02 N ATOM 1329 CA LYS B 43 -9.999 38.654 4.265 1.00 9.52 C ATOM 1330 C LYS B 43 -10.866 38.062 3.156 1.00 10.59 C ATOM 1331 O LYS B 43 -11.427 36.959 3.327 1.00 9.86 O ATOM 1332 CB LYS B 43 -8.521 38.293 3.993 1.00 15.04 C ATOM 1333 CG LYS B 43 -7.506 38.883 4.976 1.00 29.98 C ATOM 1334 CD LYS B 43 -6.056 38.842 4.440 1.00 43.97 C ATOM 1335 CE LYS B 43 -5.593 37.533 3.824 1.00 59.64 C ATOM 1336 NZ LYS B 43 -5.681 36.397 4.776 1.00 73.28 N ATOM 1337 HZ1 LYS B 43 -5.082 36.593 5.604 1.00 0.00 H ATOM 1338 HZ2 LYS B 43 -6.668 36.278 5.081 1.00 0.00 H ATOM 1339 HZ3 LYS B 43 -5.354 35.528 4.308 1.00 0.00 H ATOM 1340 H LYS B 43 -10.455 37.053 5.628 1.00 0.00 H ATOM 1341 N PRO B 44 -10.999 38.733 2.016 1.00 9.58 N ATOM 1342 CA PRO B 44 -11.857 38.202 0.969 1.00 9.30 C ATOM 1343 C PRO B 44 -11.157 37.122 0.167 1.00 11.64 C ATOM 1344 O PRO B 44 -9.934 37.148 0.001 1.00 12.23 O ATOM 1345 CB PRO B 44 -12.121 39.436 0.091 1.00 11.70 C ATOM 1346 CG PRO B 44 -10.875 40.245 0.215 1.00 13.72 C ATOM 1347 CD PRO B 44 -10.395 40.031 1.627 1.00 10.18 C ATOM 1348 N LYS B 45 -11.956 36.166 -0.319 1.00 10.68 N ATOM 1349 CA LYS B 45 -11.441 35.127 -1.183 1.00 9.90 C ATOM 1350 C LYS B 45 -12.532 34.698 -2.126 1.00 12.98 C ATOM 1351 O LYS B 45 -13.696 34.620 -1.732 1.00 12.15 O ATOM 1352 CB LYS B 45 -10.869 33.941 -0.411 1.00 11.64 C ATOM 1353 CG LYS B 45 -9.979 33.057 -1.313 1.00 14.99 C ATOM 1354 CD LYS B 45 -9.366 31.914 -0.581 1.00 22.36 C ATOM 1355 CE LYS B 45 -8.764 30.913 -1.536 1.00 23.92 C ATOM 1356 NZ LYS B 45 -7.479 31.402 -2.105 1.00 24.21 N ATOM 1357 HZ1 LYS B 45 -7.645 32.290 -2.621 1.00 0.00 H ATOM 1358 HZ2 LYS B 45 -6.801 31.569 -1.334 1.00 0.00 H ATOM 1359 HZ3 LYS B 45 -7.096 30.688 -2.756 1.00 0.00 H ATOM 1360 H LYS B 45 -12.966 36.170 -0.071 1.00 0.00 H ATOM 1361 N MET B 46 -12.139 34.431 -3.379 1.00 14.39 N ATOM 1362 CA MET B 46 -13.012 33.926 -4.426 1.00 17.16 C ATOM 1363 C MET B 46 -12.591 32.483 -4.611 1.00 18.65 C ATOM 1364 O MET B 46 -11.391 32.202 -4.749 1.00 19.44 O ATOM 1365 CB MET B 46 -12.770 34.662 -5.759 1.00 21.27 C ATOM 1366 CG MET B 46 -13.269 36.068 -5.780 1.00 27.32 C ATOM 1367 SD MET B 46 -15.014 36.205 -5.378 1.00 33.43 S ATOM 1368 CE MET B 46 -15.771 35.337 -6.768 1.00 29.22 C ATOM 1369 H MET B 46 -11.141 34.596 -3.619 1.00 0.00 H ATOM 1370 N ILE B 47 -13.556 31.554 -4.566 1.00 14.40 N ATOM 1371 CA ILE B 47 -13.243 30.150 -4.789 1.00 14.03 C ATOM 1372 C ILE B 47 -14.111 29.629 -5.909 1.00 16.57 C ATOM 1373 O ILE B 47 -15.271 30.021 -6.024 1.00 15.83 O ATOM 1374 CB ILE B 47 -13.313 29.269 -3.537 1.00 17.24 C ATOM 1375 CG1 ILE B 47 -14.715 29.259 -2.904 1.00 17.55 C ATOM 1376 CG2 ILE B 47 -12.213 29.682 -2.529 1.00 18.42 C ATOM 1377 CD1 ILE B 47 -14.903 28.232 -1.831 1.00 17.86 C ATOM 1378 H ILE B 47 -14.537 31.839 -4.370 1.00 0.00 H ATOM 1379 N GLY B 48 -13.529 28.762 -6.717 1.00 12.85 N ATOM 1380 CA GLY B 48 -14.227 28.170 -7.842 1.00 12.17 C ATOM 1381 C GLY B 48 -14.646 26.760 -7.553 1.00 14.30 C ATOM 1382 O GLY B 48 -13.817 25.945 -7.183 1.00 13.73 O ATOM 1383 H GLY B 48 -12.539 28.495 -6.541 1.00 0.00 H ATOM 1384 N GLY B 49 -15.918 26.471 -7.744 1.00 13.80 N ATOM 1385 CA GLY B 49 -16.437 25.133 -7.568 1.00 13.96 C ATOM 1386 C GLY B 49 -16.953 24.589 -8.883 1.00 16.70 C ATOM 1387 O GLY B 49 -16.750 25.187 -9.958 1.00 15.09 O ATOM 1388 H GLY B 49 -16.569 27.230 -8.030 1.00 0.00 H ATOM 1389 N ILE B 50 -17.633 23.455 -8.816 1.00 13.50 N ATOM 1390 CA ILE B 50 -18.194 22.863 -10.022 1.00 14.34 C ATOM 1391 C ILE B 50 -19.181 23.810 -10.725 1.00 17.36 C ATOM 1392 O ILE B 50 -19.212 23.836 -11.954 1.00 17.67 O ATOM 1393 CB ILE B 50 -18.802 21.460 -9.740 1.00 17.63 C ATOM 1394 CG1 ILE B 50 -18.877 20.624 -11.009 1.00 20.93 C ATOM 1395 CG2 ILE B 50 -20.153 21.517 -9.018 1.00 17.94 C ATOM 1396 CD1 ILE B 50 -17.796 19.685 -11.181 1.00 32.90 C ATOM 1397 H ILE B 50 -17.767 22.985 -7.898 1.00 0.00 H ATOM 1398 N GLY B 51 -19.952 24.582 -9.964 1.00 14.80 N ATOM 1399 CA GLY B 51 -20.958 25.466 -10.562 1.00 13.32 C ATOM 1400 C GLY B 51 -20.554 26.891 -10.855 1.00 17.14 C ATOM 1401 O GLY B 51 -21.334 27.629 -11.453 1.00 18.64 O ATOM 1402 H GLY B 51 -19.840 24.558 -8.930 1.00 0.00 H ATOM 1403 N GLY B 52 -19.347 27.267 -10.468 1.00 13.33 N ATOM 1404 CA GLY B 52 -18.852 28.620 -10.671 1.00 13.51 C ATOM 1405 C GLY B 52 -18.156 29.141 -9.433 1.00 16.10 C ATOM 1406 O GLY B 52 -17.915 28.389 -8.494 1.00 15.25 O ATOM 1407 H GLY B 52 -18.730 26.571 -10.002 1.00 0.00 H ATOM 1408 N PHE B 53 -17.829 30.438 -9.449 1.00 16.09 N ATOM 1409 CA PHE B 53 -17.117 31.110 -8.364 1.00 17.36 C ATOM 1410 C PHE B 53 -18.024 31.740 -7.337 1.00 22.21 C ATOM 1411 O PHE B 53 -19.092 32.267 -7.678 1.00 22.15 O ATOM 1412 CB PHE B 53 -16.137 32.154 -8.946 1.00 19.48 C ATOM 1413 CG PHE B 53 -14.941 31.555 -9.649 1.00 22.20 C ATOM 1414 CD1 PHE B 53 -13.720 31.431 -8.996 1.00 26.52 C ATOM 1415 CD2 PHE B 53 -15.031 31.124 -10.968 1.00 25.75 C ATOM 1416 CE1 PHE B 53 -12.615 30.868 -9.644 1.00 28.10 C ATOM 1417 CE2 PHE B 53 -13.926 30.565 -11.616 1.00 29.00 C ATOM 1418 CZ PHE B 53 -12.730 30.432 -10.945 1.00 27.23 C ATOM 1419 H PHE B 53 -18.097 31.001 -10.282 1.00 0.00 H ATOM 1420 N ILE B 54 -17.595 31.691 -6.057 1.00 16.72 N ATOM 1421 CA ILE B 54 -18.335 32.291 -4.948 1.00 14.96 C ATOM 1422 C ILE B 54 -17.385 33.063 -4.069 1.00 15.84 C ATOM 1423 O ILE B 54 -16.194 32.750 -4.033 1.00 15.03 O ATOM 1424 CB ILE B 54 -19.120 31.269 -4.085 1.00 16.87 C ATOM 1425 CG1 ILE B 54 -18.190 30.271 -3.340 1.00 16.75 C ATOM 1426 CG2 ILE B 54 -20.216 30.526 -4.916 1.00 17.04 C ATOM 1427 CD1 ILE B 54 -18.785 29.498 -2.129 1.00 22.91 C ATOM 1428 H ILE B 54 -16.699 31.205 -5.851 1.00 0.00 H ATOM 1429 N LYS B 55 -17.919 34.057 -3.355 1.00 14.40 N ATOM 1430 CA LYS B 55 -17.175 34.862 -2.384 1.00 13.27 C ATOM 1431 C LYS B 55 -17.283 34.163 -1.038 1.00 15.07 C ATOM 1432 O LYS B 55 -18.365 33.689 -0.652 1.00 15.25 O ATOM 1433 CB LYS B 55 -17.805 36.259 -2.225 1.00 16.90 C ATOM 1434 CG LYS B 55 -17.676 37.160 -3.441 1.00 23.86 C ATOM 1435 CD LYS B 55 -18.241 38.548 -3.137 1.00 34.73 C ATOM 1436 CE LYS B 55 -17.975 39.548 -4.236 1.00 51.43 C ATOM 1437 NZ LYS B 55 -18.383 40.925 -3.837 1.00 58.68 N ATOM 1438 HZ1 LYS B 55 -19.401 40.935 -3.623 1.00 0.00 H ATOM 1439 HZ2 LYS B 55 -17.847 41.213 -2.994 1.00 0.00 H ATOM 1440 HZ3 LYS B 55 -18.185 41.584 -4.617 1.00 0.00 H ATOM 1441 H LYS B 55 -18.926 34.273 -3.497 1.00 0.00 H ATOM 1442 N VAL B 56 -16.162 34.097 -0.302 1.00 9.64 N ATOM 1443 CA VAL B 56 -16.139 33.511 1.027 1.00 9.59 C ATOM 1444 C VAL B 56 -15.337 34.423 1.959 1.00 11.54 C ATOM 1445 O VAL B 56 -14.632 35.324 1.494 1.00 11.83 O ATOM 1446 CB VAL B 56 -15.557 32.065 1.049 1.00 12.01 C ATOM 1447 CG1 VAL B 56 -16.414 31.093 0.254 1.00 12.52 C ATOM 1448 CG2 VAL B 56 -14.104 32.035 0.584 1.00 11.88 C ATOM 1449 H VAL B 56 -15.279 34.479 -0.697 1.00 0.00 H ATOM 1450 N ARG B 57 -15.432 34.183 3.256 1.00 8.64 N ATOM 1451 CA ARG B 57 -14.664 34.932 4.249 1.00 7.63 C ATOM 1452 C ARG B 57 -13.496 34.037 4.637 1.00 10.92 C ATOM 1453 O ARG B 57 -13.705 32.884 5.056 1.00 10.23 O ATOM 1454 CB ARG B 57 -15.522 35.213 5.499 1.00 8.66 C ATOM 1455 CG ARG B 57 -16.779 36.030 5.195 1.00 10.05 C ATOM 1456 CD ARG B 57 -17.392 36.706 6.412 1.00 11.63 C ATOM 1457 NE ARG B 57 -17.578 35.833 7.581 1.00 11.77 N ATOM 1458 CZ ARG B 57 -18.627 35.041 7.763 1.00 15.43 C ATOM 1459 NH1 ARG B 57 -19.563 34.941 6.829 1.00 15.37 N ATOM 1460 NH2 ARG B 57 -18.727 34.311 8.865 1.00 16.96 N ATOM 1461 HE ARG B 57 -16.839 35.837 8.313 1.00 0.00 H ATOM 1462 HH12 ARG B 57 -20.382 34.318 6.979 1.00 0.00 H ATOM 1463 HH11 ARG B 57 -19.478 35.485 5.947 1.00 0.00 H ATOM 1464 HH22 ARG B 57 -19.550 33.691 9.005 1.00 0.00 H ATOM 1465 HH21 ARG B 57 -17.982 34.358 9.589 1.00 0.00 H ATOM 1466 H ARG B 57 -16.076 33.434 3.581 1.00 0.00 H ATOM 1467 N GLN B 58 -12.272 34.559 4.548 1.00 8.35 N ATOM 1468 CA GLN B 58 -11.087 33.798 4.911 1.00 7.69 C ATOM 1469 C GLN B 58 -10.595 34.151 6.304 1.00 11.38 C ATOM 1470 O GLN B 58 -10.230 35.310 6.558 1.00 10.68 O ATOM 1471 CB GLN B 58 -9.955 34.041 3.898 1.00 8.04 C ATOM 1472 CG GLN B 58 -8.662 33.339 4.292 1.00 9.45 C ATOM 1473 CD GLN B 58 -7.602 33.465 3.243 1.00 14.15 C ATOM 1474 OE1 GLN B 58 -7.885 33.618 2.052 1.00 15.53 O ATOM 1475 NE2 GLN B 58 -6.359 33.419 3.678 1.00 14.46 N ATOM 1476 HE22 GLN B 58 -6.167 33.288 4.692 1.00 0.00 H ATOM 1477 HE21 GLN B 58 -5.570 33.513 3.008 1.00 0.00 H ATOM 1478 H GLN B 58 -12.162 35.536 4.210 1.00 0.00 H ATOM 1479 N TYR B 59 -10.541 33.159 7.195 1.00 9.07 N ATOM 1480 CA TYR B 59 -10.029 33.324 8.545 1.00 8.34 C ATOM 1481 C TYR B 59 -8.762 32.493 8.658 1.00 10.76 C ATOM 1482 O TYR B 59 -8.743 31.304 8.312 1.00 10.82 O ATOM 1483 CB TYR B 59 -11.034 32.839 9.597 1.00 9.41 C ATOM 1484 CG TYR B 59 -12.305 33.648 9.663 1.00 8.36 C ATOM 1485 CD1 TYR B 59 -13.386 33.351 8.839 1.00 9.72 C ATOM 1486 CD2 TYR B 59 -12.446 34.691 10.581 1.00 9.08 C ATOM 1487 CE1 TYR B 59 -14.574 34.068 8.916 1.00 9.89 C ATOM 1488 CE2 TYR B 59 -13.635 35.411 10.673 1.00 9.45 C ATOM 1489 CZ TYR B 59 -14.694 35.102 9.830 1.00 12.61 C ATOM 1490 OH TYR B 59 -15.903 35.774 9.887 1.00 10.62 O ATOM 1491 HH TYR B 59 -16.299 35.662 10.787 1.00 0.00 H ATOM 1492 H TYR B 59 -10.883 32.220 6.909 1.00 0.00 H ATOM 1493 N ASP B 60 -7.708 33.107 9.161 1.00 10.32 N ATOM 1494 CA ASP B 60 -6.452 32.390 9.293 1.00 9.47 C ATOM 1495 C ASP B 60 -6.135 31.945 10.711 1.00 12.41 C ATOM 1496 O ASP B 60 -6.628 32.532 11.690 1.00 12.05 O ATOM 1497 CB ASP B 60 -5.307 33.281 8.764 1.00 11.52 C ATOM 1498 CG ASP B 60 -5.397 33.594 7.283 1.00 17.64 C ATOM 1499 OD1 ASP B 60 -5.013 34.716 6.888 1.00 23.62 O ATOM 1500 OD2 ASP B 60 -5.828 32.719 6.519 1.00 16.75 O ATOM 1501 H ASP B 60 -7.776 34.100 9.462 1.00 0.00 H ATOM 1502 N GLN B 61 -5.300 30.890 10.820 1.00 9.64 N ATOM 1503 CA GLN B 61 -4.790 30.381 12.098 1.00 10.19 C ATOM 1504 C GLN B 61 -5.888 30.023 13.100 1.00 12.99 C ATOM 1505 O GLN B 61 -5.851 30.391 14.279 1.00 13.88 O ATOM 1506 CB GLN B 61 -3.816 31.429 12.684 1.00 12.15 C ATOM 1507 CG GLN B 61 -2.725 30.836 13.531 1.00 18.50 C ATOM 1508 CD GLN B 61 -1.594 31.831 13.728 1.00 24.23 C ATOM 1509 OE1 GLN B 61 -1.326 32.711 12.894 1.00 25.41 O ATOM 1510 NE2 GLN B 61 -0.912 31.700 14.832 1.00 16.99 N ATOM 1511 HE22 GLN B 61 -1.161 30.953 15.511 1.00 0.00 H ATOM 1512 HE21 GLN B 61 -0.119 32.343 15.033 1.00 0.00 H ATOM 1513 H GLN B 61 -5.001 30.410 9.947 1.00 0.00 H ATOM 1514 N ILE B 62 -6.874 29.286 12.602 1.00 8.55 N ATOM 1515 CA ILE B 62 -8.039 28.834 13.354 1.00 8.34 C ATOM 1516 C ILE B 62 -7.791 27.433 13.843 1.00 11.16 C ATOM 1517 O ILE B 62 -7.355 26.572 13.069 1.00 9.52 O ATOM 1518 CB ILE B 62 -9.290 28.889 12.422 1.00 10.08 C ATOM 1519 CG1 ILE B 62 -9.590 30.323 11.939 1.00 9.90 C ATOM 1520 CG2 ILE B 62 -10.530 28.218 13.055 1.00 10.55 C ATOM 1521 CD1 ILE B 62 -9.967 31.346 13.068 1.00 13.62 C ATOM 1522 H ILE B 62 -6.811 29.011 11.601 1.00 0.00 H ATOM 1523 N LEU B 63 -8.116 27.188 15.115 1.00 10.62 N ATOM 1524 CA LEU B 63 -7.974 25.880 15.715 1.00 11.41 C ATOM 1525 C LEU B 63 -9.158 24.995 15.287 1.00 12.17 C ATOM 1526 O LEU B 63 -10.326 25.389 15.398 1.00 11.07 O ATOM 1527 CB LEU B 63 -7.913 26.011 17.249 1.00 12.54 C ATOM 1528 CG LEU B 63 -6.511 26.349 17.835 1.00 19.44 C ATOM 1529 CD1 LEU B 63 -6.146 27.821 17.664 1.00 21.03 C ATOM 1530 CD2 LEU B 63 -6.460 26.024 19.314 1.00 24.91 C ATOM 1531 H LEU B 63 -8.485 27.968 15.696 1.00 0.00 H ATOM 1532 N ILE B 64 -8.850 23.807 14.781 1.00 10.10 N ATOM 1533 CA ILE B 64 -9.903 22.888 14.337 1.00 9.64 C ATOM 1534 C ILE B 64 -9.417 21.462 14.527 1.00 12.47 C ATOM 1535 O ILE B 64 -8.291 21.132 14.139 1.00 14.00 O ATOM 1536 CB ILE B 64 -10.322 23.206 12.868 1.00 12.06 C ATOM 1537 CG1 ILE B 64 -11.358 22.176 12.322 1.00 11.68 C ATOM 1538 CG2 ILE B 64 -9.084 23.367 11.913 1.00 13.95 C ATOM 1539 CD1 ILE B 64 -11.976 22.540 10.980 1.00 13.57 C ATOM 1540 H ILE B 64 -7.852 23.525 14.699 1.00 0.00 H ATOM 1541 N GLU B 65 -10.267 20.606 15.110 1.00 9.89 N ATOM 1542 CA GLU B 65 -9.902 19.200 15.310 1.00 10.53 C ATOM 1543 C GLU B 65 -10.665 18.398 14.270 1.00 11.90 C ATOM 1544 O GLU B 65 -11.862 18.622 14.082 1.00 11.79 O ATOM 1545 CB GLU B 65 -10.245 18.749 16.738 1.00 11.89 C ATOM 1546 CG GLU B 65 -9.655 17.419 17.138 1.00 17.74 C ATOM 1547 CD GLU B 65 -9.997 17.092 18.576 1.00 35.99 C ATOM 1548 OE1 GLU B 65 -10.716 16.094 18.801 1.00 42.64 O ATOM 1549 OE2 GLU B 65 -9.565 17.845 19.478 1.00 33.14 O ATOM 1550 H GLU B 65 -11.199 20.944 15.425 1.00 0.00 H ATOM 1551 N ILE B 66 -9.987 17.498 13.563 1.00 9.37 N ATOM 1552 CA ILE B 66 -10.631 16.713 12.504 1.00 9.39 C ATOM 1553 C ILE B 66 -10.430 15.251 12.796 1.00 13.06 C ATOM 1554 O ILE B 66 -9.288 14.771 12.788 1.00 11.65 O ATOM 1555 CB ILE B 66 -10.010 17.066 11.129 1.00 11.64 C ATOM 1556 CG1 ILE B 66 -10.188 18.570 10.832 1.00 11.15 C ATOM 1557 CG2 ILE B 66 -10.609 16.183 9.994 1.00 11.34 C ATOM 1558 CD1 ILE B 66 -9.084 19.104 9.958 1.00 15.42 C ATOM 1559 H ILE B 66 -8.978 17.347 13.765 1.00 0.00 H ATOM 1560 N CYS B 67 -11.531 14.533 13.049 1.00 12.02 N ATOM 1561 CA CYS B 67 -11.462 13.107 13.355 1.00 14.64 C ATOM 1562 C CYS B 67 -10.391 12.828 14.455 1.00 17.37 C ATOM 1563 O CYS B 67 -9.618 11.874 14.361 1.00 18.07 O ATOM 1564 CB CYS B 67 -11.233 12.305 12.070 1.00 16.59 C ATOM 1565 SG CYS B 67 -11.644 10.551 12.212 1.00 21.43 S ATOM 1566 H CYS B 67 -12.459 15.003 13.027 1.00 0.00 H ATOM 1567 N GLY B 68 -10.357 13.701 15.469 1.00 14.69 N ATOM 1568 CA GLY B 68 -9.452 13.616 16.611 1.00 15.28 C ATOM 1569 C GLY B 68 -8.047 14.161 16.427 1.00 18.95 C ATOM 1570 O GLY B 68 -7.237 14.098 17.360 1.00 19.24 O ATOM 1571 H GLY B 68 -11.024 14.498 15.441 1.00 0.00 H ATOM 1572 N HIS B 69 -7.727 14.684 15.230 1.00 13.65 N ATOM 1573 CA HIS B 69 -6.394 15.222 14.932 1.00 12.21 C ATOM 1574 C HIS B 69 -6.456 16.745 14.955 1.00 14.82 C ATOM 1575 O HIS B 69 -7.288 17.340 14.265 1.00 13.02 O ATOM 1576 CB HIS B 69 -5.919 14.707 13.561 1.00 12.60 C ATOM 1577 CG HIS B 69 -5.639 13.232 13.534 1.00 15.99 C ATOM 1578 ND1 HIS B 69 -4.350 12.751 13.380 1.00 18.44 N ATOM 1579 CD2 HIS B 69 -6.485 12.181 13.645 1.00 18.35 C ATOM 1580 CE1 HIS B 69 -4.453 11.430 13.410 1.00 18.41 C ATOM 1581 NE2 HIS B 69 -5.714 11.037 13.565 1.00 18.36 N ATOM 1582 H HIS B 69 -8.453 14.708 14.486 1.00 0.00 H ATOM 1583 N LYS B 70 -5.590 17.380 15.744 1.00 14.23 N ATOM 1584 CA LYS B 70 -5.601 18.827 15.852 1.00 13.48 C ATOM 1585 C LYS B 70 -4.893 19.483 14.691 1.00 16.09 C ATOM 1586 O LYS B 70 -3.837 19.022 14.242 1.00 17.25 O ATOM 1587 CB LYS B 70 -5.020 19.291 17.199 1.00 17.37 C ATOM 1588 CG LYS B 70 -5.937 18.973 18.382 1.00 29.78 C ATOM 1589 CD LYS B 70 -5.364 19.469 19.708 1.00 41.02 C ATOM 1590 CE LYS B 70 -6.282 19.172 20.871 1.00 52.65 C ATOM 1591 NZ LYS B 70 -6.321 17.720 21.202 1.00 63.92 N ATOM 1592 HZ1 LYS B 70 -6.662 17.187 20.377 1.00 0.00 H ATOM 1593 HZ2 LYS B 70 -5.365 17.397 21.454 1.00 0.00 H ATOM 1594 HZ3 LYS B 70 -6.963 17.566 22.005 1.00 0.00 H ATOM 1595 H LYS B 70 -4.896 16.831 16.290 1.00 0.00 H ATOM 1596 N ALA B 71 -5.494 20.554 14.187 1.00 10.61 N ATOM 1597 CA ALA B 71 -4.933 21.350 13.110 1.00 9.65 C ATOM 1598 C ALA B 71 -5.125 22.817 13.459 1.00 10.28 C ATOM 1599 O ALA B 71 -5.976 23.171 14.288 1.00 10.23 O ATOM 1600 CB ALA B 71 -5.632 21.023 11.792 1.00 10.36 C ATOM 1601 H ALA B 71 -6.413 20.837 14.583 1.00 0.00 H ATOM 1602 N ILE B 72 -4.314 23.689 12.857 1.00 8.53 N ATOM 1603 CA ILE B 72 -4.451 25.135 13.059 1.00 8.18 C ATOM 1604 C ILE B 72 -4.172 25.740 11.686 1.00 10.47 C ATOM 1605 O ILE B 72 -3.037 25.678 11.201 1.00 9.28 O ATOM 1606 CB ILE B 72 -3.517 25.752 14.123 1.00 10.30 C ATOM 1607 CG1 ILE B 72 -3.585 25.034 15.488 1.00 10.72 C ATOM 1608 CG2 ILE B 72 -3.849 27.254 14.258 1.00 11.62 C ATOM 1609 CD1 ILE B 72 -2.581 25.534 16.491 1.00 11.14 C ATOM 1610 H ILE B 72 -3.565 23.334 12.228 1.00 0.00 H ATOM 1611 N GLY B 73 -5.185 26.300 11.052 1.00 9.12 N ATOM 1612 CA GLY B 73 -4.952 26.820 9.714 1.00 9.16 C ATOM 1613 C GLY B 73 -6.096 27.629 9.183 1.00 9.44 C ATOM 1614 O GLY B 73 -6.953 28.093 9.951 1.00 9.92 O ATOM 1615 H GLY B 73 -6.123 26.367 11.496 1.00 0.00 H ATOM 1616 N THR B 74 -6.092 27.813 7.853 1.00 7.99 N ATOM 1617 CA THR B 74 -7.066 28.653 7.196 1.00 7.24 C ATOM 1618 C THR B 74 -8.405 27.985 7.031 1.00 8.92 C ATOM 1619 O THR B 74 -8.491 26.861 6.531 1.00 9.20 O ATOM 1620 CB THR B 74 -6.524 29.170 5.878 1.00 9.34 C ATOM 1621 OG1 THR B 74 -5.356 29.939 6.145 1.00 11.80 O ATOM 1622 CG2 THR B 74 -7.520 30.066 5.145 1.00 9.79 C ATOM 1623 HG1 THR B 74 -5.590 30.697 6.737 1.00 0.00 H ATOM 1624 H THR B 74 -5.367 27.337 7.279 1.00 0.00 H ATOM 1625 N VAL B 75 -9.457 28.702 7.436 1.00 8.27 N ATOM 1626 CA VAL B 75 -10.825 28.210 7.311 1.00 8.03 C ATOM 1627 C VAL B 75 -11.616 29.256 6.563 1.00 10.30 C ATOM 1628 O VAL B 75 -11.600 30.433 6.944 1.00 10.47 O ATOM 1629 CB VAL B 75 -11.456 27.896 8.700 1.00 10.34 C ATOM 1630 CG1 VAL B 75 -12.952 27.579 8.591 1.00 11.15 C ATOM 1631 CG2 VAL B 75 -10.709 26.759 9.401 1.00 10.54 C ATOM 1632 H VAL B 75 -9.296 29.641 7.854 1.00 0.00 H ATOM 1633 N LEU B 76 -12.275 28.846 5.487 1.00 7.09 N ATOM 1634 CA LEU B 76 -13.118 29.738 4.703 1.00 7.32 C ATOM 1635 C LEU B 76 -14.546 29.505 5.117 1.00 12.09 C ATOM 1636 O LEU B 76 -14.922 28.355 5.407 1.00 11.01 O ATOM 1637 CB LEU B 76 -12.978 29.488 3.199 1.00 7.89 C ATOM 1638 CG LEU B 76 -11.547 29.365 2.660 1.00 8.83 C ATOM 1639 CD1 LEU B 76 -11.559 29.086 1.155 1.00 10.17 C ATOM 1640 CD2 LEU B 76 -10.750 30.654 2.903 1.00 10.83 C ATOM 1641 H LEU B 76 -12.186 27.852 5.193 1.00 0.00 H ATOM 1642 N VAL B 77 -15.350 30.583 5.156 1.00 7.69 N ATOM 1643 CA VAL B 77 -16.751 30.486 5.553 1.00 7.51 C ATOM 1644 C VAL B 77 -17.605 31.041 4.418 1.00 10.10 C ATOM 1645 O VAL B 77 -17.383 32.169 3.947 1.00 10.24 O ATOM 1646 CB VAL B 77 -17.008 31.216 6.902 1.00 9.89 C ATOM 1647 CG1 VAL B 77 -18.496 31.169 7.288 1.00 9.92 C ATOM 1648 CG2 VAL B 77 -16.141 30.617 8.026 1.00 10.20 C ATOM 1649 H VAL B 77 -14.962 31.512 4.896 1.00 0.00 H ATOM 1650 N GLY B 78 -18.603 30.262 4.007 1.00 8.67 N ATOM 1651 CA GLY B 78 -19.462 30.703 2.911 1.00 8.39 C ATOM 1652 C GLY B 78 -20.496 29.680 2.526 1.00 10.85 C ATOM 1653 O GLY B 78 -20.572 28.626 3.161 1.00 10.63 O ATOM 1654 H GLY B 78 -18.770 29.343 4.464 1.00 0.00 H ATOM 1655 N PRO B 79 -21.255 29.965 1.454 1.00 10.36 N ATOM 1656 CA PRO B 79 -22.331 29.040 1.045 1.00 10.96 C ATOM 1657 C PRO B 79 -21.840 27.790 0.338 1.00 16.81 C ATOM 1658 O PRO B 79 -21.412 27.813 -0.804 1.00 20.50 O ATOM 1659 CB PRO B 79 -23.239 29.906 0.170 1.00 12.37 C ATOM 1660 CG PRO B 79 -22.306 30.961 -0.388 1.00 13.92 C ATOM 1661 CD PRO B 79 -21.263 31.213 0.664 1.00 10.89 C ATOM 1662 N THR B 80 -21.835 26.702 1.062 1.00 14.50 N ATOM 1663 CA THR B 80 -21.386 25.428 0.550 1.00 13.52 C ATOM 1664 C THR B 80 -22.444 24.386 0.802 1.00 14.90 C ATOM 1665 O THR B 80 -23.085 24.416 1.864 1.00 15.35 O ATOM 1666 CB THR B 80 -20.025 25.046 1.157 1.00 15.27 C ATOM 1667 OG1 THR B 80 -19.674 23.737 0.706 1.00 12.58 O ATOM 1668 CG2 THR B 80 -20.013 25.054 2.703 1.00 12.78 C ATOM 1669 HG1 THR B 80 -20.366 23.092 0.998 1.00 0.00 H ATOM 1670 H THR B 80 -22.168 26.756 2.046 1.00 0.00 H ATOM 1671 N PRO B 81 -22.664 23.441 -0.124 1.00 12.42 N ATOM 1672 CA PRO B 81 -23.673 22.403 0.124 1.00 12.50 C ATOM 1673 C PRO B 81 -23.373 21.552 1.364 1.00 13.83 C ATOM 1674 O PRO B 81 -24.286 20.985 1.958 1.00 14.36 O ATOM 1675 CB PRO B 81 -23.580 21.524 -1.134 1.00 14.54 C ATOM 1676 CG PRO B 81 -23.071 22.433 -2.186 1.00 19.09 C ATOM 1677 CD PRO B 81 -22.052 23.274 -1.462 1.00 15.09 C ATOM 1678 N VAL B 82 -22.060 21.451 1.745 1.00 10.57 N ATOM 1679 CA VAL B 82 -21.578 20.677 2.898 1.00 11.20 C ATOM 1680 C VAL B 82 -20.282 21.237 3.389 1.00 10.06 C ATOM 1681 O VAL B 82 -19.525 21.821 2.598 1.00 10.09 O ATOM 1682 CB VAL B 82 -21.334 19.171 2.629 1.00 17.76 C ATOM 1683 CG1 VAL B 82 -22.504 18.322 3.063 1.00 19.05 C ATOM 1684 CG2 VAL B 82 -20.875 18.880 1.202 1.00 17.93 C ATOM 1685 H VAL B 82 -21.353 21.959 1.176 1.00 0.00 H ATOM 1686 N ASN B 83 -19.988 21.035 4.683 1.00 8.33 N ATOM 1687 CA ASN B 83 -18.717 21.474 5.246 1.00 6.76 C ATOM 1688 C ASN B 83 -17.670 20.586 4.580 1.00 10.07 C ATOM 1689 O ASN B 83 -17.828 19.356 4.540 1.00 9.61 O ATOM 1690 CB ASN B 83 -18.661 21.226 6.748 1.00 7.84 C ATOM 1691 CG ASN B 83 -19.573 22.103 7.544 1.00 11.30 C ATOM 1692 OD1 ASN B 83 -19.724 23.300 7.270 1.00 9.60 O ATOM 1693 ND2 ASN B 83 -20.189 21.534 8.556 1.00 11.00 N ATOM 1694 HD22 ASN B 83 -20.038 20.525 8.756 1.00 0.00 H ATOM 1695 HD21 ASN B 83 -20.828 22.093 9.157 1.00 0.00 H ATOM 1696 H ASN B 83 -20.679 20.557 5.295 1.00 0.00 H ATOM 1697 N ILE B 84 -16.608 21.210 4.044 1.00 7.40 N ATOM 1698 CA ILE B 84 -15.545 20.487 3.337 1.00 7.49 C ATOM 1699 C ILE B 84 -14.197 20.722 3.966 1.00 8.94 C ATOM 1700 O ILE B 84 -13.806 21.879 4.189 1.00 8.42 O ATOM 1701 CB ILE B 84 -15.498 20.974 1.852 1.00 12.55 C ATOM 1702 CG1 ILE B 84 -16.744 20.503 1.080 1.00 14.76 C ATOM 1703 CG2 ILE B 84 -14.204 20.563 1.147 1.00 17.62 C ATOM 1704 CD1 ILE B 84 -17.094 21.533 -0.028 1.00 28.36 C ATOM 1705 H ILE B 84 -16.537 22.244 4.133 1.00 0.00 H ATOM 1706 N ILE B 85 -13.454 19.630 4.225 1.00 7.50 N ATOM 1707 CA ILE B 85 -12.077 19.708 4.706 1.00 6.71 C ATOM 1708 C ILE B 85 -11.217 19.459 3.462 1.00 8.97 C ATOM 1709 O ILE B 85 -11.231 18.341 2.908 1.00 7.88 O ATOM 1710 CB ILE B 85 -11.777 18.622 5.780 1.00 8.25 C ATOM 1711 CG1 ILE B 85 -12.801 18.670 6.967 1.00 9.60 C ATOM 1712 CG2 ILE B 85 -10.302 18.765 6.276 1.00 9.42 C ATOM 1713 CD1 ILE B 85 -12.941 20.105 7.658 1.00 11.02 C ATOM 1714 H ILE B 85 -13.878 18.692 4.077 1.00 0.00 H ATOM 1715 N GLY B 86 -10.515 20.497 3.034 1.00 6.99 N ATOM 1716 CA GLY B 86 -9.663 20.466 1.858 1.00 7.33 C ATOM 1717 C GLY B 86 -8.220 20.153 2.176 1.00 8.35 C ATOM 1718 O GLY B 86 -7.830 19.953 3.347 1.00 7.91 O ATOM 1719 H GLY B 86 -10.577 21.386 3.571 1.00 0.00 H ATOM 1720 N ARG B 87 -7.413 20.119 1.127 1.00 6.90 N ATOM 1721 CA ARG B 87 -6.026 19.715 1.282 1.00 6.29 C ATOM 1722 C ARG B 87 -5.221 20.537 2.288 1.00 7.41 C ATOM 1723 O ARG B 87 -4.302 19.972 2.897 1.00 8.74 O ATOM 1724 CB ARG B 87 -5.290 19.650 -0.046 1.00 7.16 C ATOM 1725 CG ARG B 87 -5.850 18.602 -0.990 1.00 7.51 C ATOM 1726 CD ARG B 87 -5.011 18.438 -2.284 1.00 7.88 C ATOM 1727 NE ARG B 87 -5.006 19.683 -3.062 1.00 8.65 N ATOM 1728 CZ ARG B 87 -4.035 20.600 -3.028 1.00 9.55 C ATOM 1729 NH1 ARG B 87 -4.156 21.734 -3.716 1.00 10.09 N ATOM 1730 NH2 ARG B 87 -2.932 20.387 -2.313 1.00 9.72 N ATOM 1731 HE ARG B 87 -5.818 19.865 -3.686 1.00 0.00 H ATOM 1732 HH12 ARG B 87 -3.397 22.444 -3.686 1.00 0.00 H ATOM 1733 HH11 ARG B 87 -5.010 21.909 -4.284 1.00 0.00 H ATOM 1734 HH22 ARG B 87 -2.180 21.105 -2.291 1.00 0.00 H ATOM 1735 HH21 ARG B 87 -2.823 19.503 -1.777 1.00 0.00 H ATOM 1736 H ARG B 87 -7.774 20.383 0.188 1.00 0.00 H ATOM 1737 N ASN B 88 -5.538 21.834 2.475 1.00 7.39 N ATOM 1738 CA ASN B 88 -4.749 22.630 3.420 1.00 8.17 C ATOM 1739 C ASN B 88 -4.761 21.991 4.820 1.00 9.88 C ATOM 1740 O ASN B 88 -3.725 22.029 5.518 1.00 10.83 O ATOM 1741 CB ASN B 88 -5.214 24.071 3.462 1.00 8.38 C ATOM 1742 CG ASN B 88 -6.543 24.255 4.130 1.00 9.46 C ATOM 1743 OD1 ASN B 88 -7.536 23.609 3.768 1.00 9.29 O ATOM 1744 ND2 ASN B 88 -6.565 25.148 5.120 1.00 8.43 N ATOM 1745 HD22 ASN B 88 -5.697 25.660 5.378 1.00 0.00 H ATOM 1746 HD21 ASN B 88 -7.450 25.333 5.634 1.00 0.00 H ATOM 1747 H ASN B 88 -6.331 22.264 1.956 1.00 0.00 H ATOM 1748 N LEU B 89 -5.906 21.380 5.227 1.00 7.63 N ATOM 1749 CA LEU B 89 -5.978 20.732 6.540 1.00 7.69 C ATOM 1750 C LEU B 89 -5.774 19.216 6.464 1.00 9.65 C ATOM 1751 O LEU B 89 -5.309 18.619 7.431 1.00 9.71 O ATOM 1752 CB LEU B 89 -7.269 21.071 7.294 1.00 8.76 C ATOM 1753 CG LEU B 89 -7.525 22.558 7.503 1.00 11.23 C ATOM 1754 CD1 LEU B 89 -8.839 22.755 8.266 1.00 10.54 C ATOM 1755 CD2 LEU B 89 -6.337 23.250 8.265 1.00 12.52 C ATOM 1756 H LEU B 89 -6.737 21.372 4.602 1.00 0.00 H ATOM 1757 N LEU B 90 -6.090 18.567 5.321 1.00 7.38 N ATOM 1758 CA LEU B 90 -5.820 17.121 5.204 1.00 7.69 C ATOM 1759 C LEU B 90 -4.312 16.873 5.329 1.00 10.33 C ATOM 1760 O LEU B 90 -3.895 15.870 5.907 1.00 9.39 O ATOM 1761 CB LEU B 90 -6.330 16.603 3.851 1.00 7.57 C ATOM 1762 CG LEU B 90 -7.857 16.636 3.654 1.00 9.01 C ATOM 1763 CD1 LEU B 90 -8.229 16.208 2.222 1.00 9.61 C ATOM 1764 CD2 LEU B 90 -8.586 15.755 4.692 1.00 9.03 C ATOM 1765 H LEU B 90 -6.521 19.084 4.528 1.00 0.00 H ATOM 1766 N THR B 91 -3.475 17.810 4.814 1.00 8.87 N ATOM 1767 CA THR B 91 -2.017 17.628 4.959 1.00 8.77 C ATOM 1768 C THR B 91 -1.616 17.734 6.439 1.00 11.52 C ATOM 1769 O THR B 91 -0.782 16.950 6.905 1.00 12.31 O ATOM 1770 CB THR B 91 -1.249 18.631 4.102 1.00 9.50 C ATOM 1771 OG1 THR B 91 -1.662 19.969 4.425 1.00 10.87 O ATOM 1772 CG2 THR B 91 -1.427 18.364 2.608 1.00 10.60 C ATOM 1773 HG1 THR B 91 -1.159 20.612 3.865 1.00 0.00 H ATOM 1774 H THR B 91 -3.856 18.645 4.324 1.00 0.00 H ATOM 1775 N GLN B 92 -2.263 18.649 7.197 1.00 8.75 N ATOM 1776 CA GLN B 92 -1.936 18.798 8.618 1.00 8.01 C ATOM 1777 C GLN B 92 -2.229 17.559 9.439 1.00 11.32 C ATOM 1778 O GLN B 92 -1.547 17.326 10.442 1.00 13.31 O ATOM 1779 CB GLN B 92 -2.679 19.994 9.225 1.00 8.83 C ATOM 1780 CG GLN B 92 -2.121 21.336 8.766 1.00 7.97 C ATOM 1781 CD GLN B 92 -2.480 22.472 9.678 1.00 9.15 C ATOM 1782 OE1 GLN B 92 -2.721 22.266 10.872 1.00 11.06 O ATOM 1783 NE2 GLN B 92 -2.485 23.689 9.151 1.00 10.61 N ATOM 1784 HE22 GLN B 92 -2.277 23.819 8.140 1.00 0.00 H ATOM 1785 HE21 GLN B 92 -2.697 24.513 9.748 1.00 0.00 H ATOM 1786 H GLN B 92 -2.996 19.250 6.769 1.00 0.00 H ATOM 1787 N ILE B 93 -3.233 16.760 9.041 1.00 10.00 N ATOM 1788 CA ILE B 93 -3.588 15.556 9.780 1.00 10.48 C ATOM 1789 C ILE B 93 -2.868 14.294 9.237 1.00 12.62 C ATOM 1790 O ILE B 93 -3.096 13.199 9.765 1.00 13.33 O ATOM 1791 CB ILE B 93 -5.115 15.361 9.936 1.00 12.96 C ATOM 1792 CG1 ILE B 93 -5.777 14.952 8.595 1.00 12.98 C ATOM 1793 CG2 ILE B 93 -5.758 16.645 10.510 1.00 13.58 C ATOM 1794 CD1 ILE B 93 -7.294 14.580 8.730 1.00 16.67 C ATOM 1795 H ILE B 93 -3.769 17.007 8.185 1.00 0.00 H ATOM 1796 N GLY B 94 -1.994 14.469 8.239 1.00 10.65 N ATOM 1797 CA GLY B 94 -1.190 13.391 7.673 1.00 10.99 C ATOM 1798 C GLY B 94 -1.942 12.492 6.719 1.00 14.87 C ATOM 1799 O GLY B 94 -1.618 11.305 6.601 1.00 16.04 O ATOM 1800 H GLY B 94 -1.882 15.425 7.845 1.00 0.00 H ATOM 1801 N CYS B 95 -2.926 13.056 5.992 1.00 10.91 N ATOM 1802 CA CYS B 95 -3.765 12.263 5.102 1.00 11.26 C ATOM 1803 C CYS B 95 -3.144 12.044 3.735 1.00 13.13 C ATOM 1804 O CYS B 95 -2.585 12.980 3.153 1.00 13.77 O ATOM 1805 CB CYS B 95 -5.133 12.942 4.979 1.00 12.55 C ATOM 1806 SG CYS B 95 -6.436 11.903 4.258 1.00 17.27 S ATOM 1807 H CYS B 95 -3.091 14.080 6.067 1.00 0.00 H ATOM 1808 N THR B 96 -3.245 10.800 3.221 1.00 11.53 N ATOM 1809 CA THR B 96 -2.814 10.472 1.873 1.00 10.65 C ATOM 1810 C THR B 96 -3.900 9.593 1.232 1.00 10.38 C ATOM 1811 O THR B 96 -4.759 9.050 1.923 1.00 11.32 O ATOM 1812 CB THR B 96 -1.479 9.696 1.855 1.00 14.54 C ATOM 1813 OG1 THR B 96 -1.592 8.491 2.614 1.00 14.42 O ATOM 1814 CG2 THR B 96 -0.294 10.549 2.327 1.00 15.78 C ATOM 1815 HG1 THR B 96 -1.824 8.713 3.551 1.00 0.00 H ATOM 1816 H THR B 96 -3.647 10.046 3.814 1.00 0.00 H ATOM 1817 N LEU B 97 -3.830 9.454 -0.091 1.00 9.41 N ATOM 1818 CA LEU B 97 -4.663 8.555 -0.876 1.00 9.19 C ATOM 1819 C LEU B 97 -3.838 7.324 -1.166 1.00 11.74 C ATOM 1820 O LEU B 97 -2.624 7.428 -1.421 1.00 13.08 O ATOM 1821 CB LEU B 97 -5.097 9.195 -2.191 1.00 9.83 C ATOM 1822 CG LEU B 97 -6.195 10.225 -2.040 1.00 11.87 C ATOM 1823 CD1 LEU B 97 -6.345 11.018 -3.331 1.00 12.94 C ATOM 1824 CD2 LEU B 97 -7.533 9.541 -1.665 1.00 13.75 C ATOM 1825 H LEU B 97 -3.129 10.030 -0.600 1.00 0.00 H ATOM 1826 N ASN B 98 -4.456 6.143 -1.107 1.00 9.97 N ATOM 1827 CA ASN B 98 -3.668 4.936 -1.330 1.00 10.26 C ATOM 1828 C ASN B 98 -4.451 3.902 -2.102 1.00 13.42 C ATOM 1829 O ASN B 98 -5.630 3.680 -1.819 1.00 12.79 O ATOM 1830 CB ASN B 98 -3.260 4.316 0.019 1.00 10.69 C ATOM 1831 CG ASN B 98 -2.360 5.192 0.851 1.00 15.94 C ATOM 1832 OD1 ASN B 98 -1.139 5.008 0.873 1.00 20.75 O ATOM 1833 ND2 ASN B 98 -2.925 6.161 1.545 1.00 12.44 N ATOM 1834 HD22 ASN B 98 -3.956 6.294 1.509 1.00 0.00 H ATOM 1835 HD21 ASN B 98 -2.340 6.792 2.129 1.00 0.00 H ATOM 1836 H ASN B 98 -5.475 6.084 -0.907 1.00 0.00 H ATOM 1837 N PHE B 99 -3.779 3.244 -3.052 1.00 12.01 N ATOM 1838 CA PHE B 99 -4.377 2.155 -3.832 1.00 13.24 C ATOM 1839 C PHE B 99 -3.293 1.273 -4.424 1.00 17.57 C ATOM 1840 O PHE B 99 -3.638 0.253 -5.057 1.00 20.59 O ATOM 1841 CB PHE B 99 -5.374 2.646 -4.904 1.00 14.47 C ATOM 1842 CG PHE B 99 -4.842 3.588 -5.951 1.00 14.86 C ATOM 1843 CD1 PHE B 99 -4.806 4.957 -5.723 1.00 19.22 C ATOM 1844 CD2 PHE B 99 -4.404 3.113 -7.183 1.00 18.22 C ATOM 1845 CE1 PHE B 99 -4.338 5.830 -6.704 1.00 20.28 C ATOM 1846 CE2 PHE B 99 -3.929 3.992 -8.161 1.00 21.85 C ATOM 1847 CZ PHE B 99 -3.885 5.345 -7.905 1.00 20.91 C ATOM 1848 OXT PHE B 99 -2.099 1.581 -4.243 1.00 21.15 O ATOM 1849 H PHE B 99 -2.794 3.515 -3.246 1.00 0.00 H TER 1850 PHE B 99 HETATM 1851 O HOH 1 -23.786 2.792 -21.813 1.00 19.08 O HETATM 1852 O HOH 2 -1.787 11.060 10.791 1.00 21.98 O HETATM 1853 O HOH 3 4.931 16.237 -3.181 1.00 13.25 O HETATM 1854 O HOH 4 -0.984 14.924 -5.178 1.00 19.32 O HETATM 1855 O HOH 5 -13.458 3.858 -22.546 1.00 24.48 O HETATM 1856 O HOH 6 -25.448 4.634 -20.939 1.00 24.61 O HETATM 1857 O HOH 7 -24.464 9.721 -7.110 1.00 32.58 O HETATM 1858 O HOH 8 -19.800 13.997 -1.770 1.00 15.16 O HETATM 1859 O HOH 9 -15.072 22.535 -18.942 1.00 23.91 O HETATM 1860 O HOH 10 -23.104 8.217 -27.676 1.00 26.39 O HETATM 1861 O HOH 11 -21.874 30.420 -9.448 1.00 39.53 O HETATM 1862 O HOH 12 -20.415 21.780 -21.853 1.00 28.61 O HETATM 1863 O HOH 13 -20.958 11.675 -27.013 1.00 34.32 O HETATM 1864 O HOH 14 -22.632 17.577 -21.655 1.00 29.25 O HETATM 1865 O HOH 15 -24.062 14.011 -7.270 1.00 35.82 O HETATM 1866 O HOH 16 -22.155 8.198 -10.644 1.00 49.71 O HETATM 1867 O HOH 17 -23.190 5.096 -22.765 1.00 27.35 O HETATM 1868 O HOH 18 -23.383 26.753 -13.037 1.00 27.93 O HETATM 1869 O HOH 19 -6.190 1.299 -0.211 1.00 22.54 O HETATM 1870 O HOH 20 -8.855 -2.129 -10.605 1.00 42.00 O HETATM 1871 O HOH 21 -28.821 4.721 -15.251 1.00 30.78 O HETATM 1872 O HOH 22 -25.134 12.083 -5.713 1.00 32.84 O HETATM 1873 O HOH 23 -24.476 28.571 -10.714 1.00 41.56 O HETATM 1874 O HOH 24 -0.431 17.848 -8.979 1.00 26.20 O HETATM 1875 O HOH 25 -14.933 8.138 -26.999 1.00 34.35 O HETATM 1876 O HOH 26 -17.923 12.114 -1.233 1.00 12.09 O HETATM 1877 O HOH 27 -14.998 -1.931 -11.917 1.00 9.86 O HETATM 1878 O HOH 28 -20.312 9.197 -12.385 1.00 16.01 O HETATM 1879 O HOH 29 -12.751 2.722 -1.341 1.00 12.48 O HETATM 1880 O HOH 30 2.626 13.023 1.684 1.00 28.12 O HETATM 1881 O HOH 31 -32.704 12.350 -17.040 1.00 28.81 O HETATM 1882 O HOH 32 -0.146 14.927 -9.517 1.00 34.30 O HETATM 1883 O HOH 33 -18.753 2.928 -5.658 1.00 12.48 O HETATM 1884 O HOH 34 3.109 15.542 -6.271 1.00 18.76 O HETATM 1885 O HOH 35 -3.990 21.772 -11.514 1.00 30.52 O HETATM 1886 O HOH 36 -12.355 0.184 -2.404 1.00 12.09 O HETATM 1887 O HOH 37 -20.678 7.233 -5.327 1.00 26.84 O HETATM 1888 O HOH 38 -26.536 26.755 -10.580 1.00 26.45 O HETATM 1889 O HOH 39 -12.537 15.151 -20.773 1.00 15.90 O HETATM 1890 O HOH 40 3.753 10.007 -1.862 1.00 23.26 O HETATM 1891 O HOH 41 -22.762 2.409 -15.012 1.00 20.08 O HETATM 1892 O HOH 42 -27.412 6.849 -18.834 1.00 21.28 O HETATM 1893 O HOH 43 -8.397 22.192 -15.525 1.00 28.33 O HETATM 1894 O HOH 44 -4.275 3.234 7.565 1.00 32.35 O HETATM 1895 O HOH 45 -1.974 13.236 -16.286 1.00 34.18 O HETATM 1896 O HOH 46 -27.894 16.668 -8.011 1.00 36.44 O HETATM 1897 O HOH 47 -22.521 4.497 -29.658 1.00 34.67 O HETATM 1898 O HOH 48 -0.336 2.334 -10.270 1.00 41.98 O HETATM 1899 O HOH 49 -12.418 -2.662 -11.096 1.00 13.21 O HETATM 1900 O HOH 50 -21.514 1.449 -22.319 1.00 34.15 O HETATM 1901 O HOH 51 3.785 5.617 -4.201 1.00 28.40 O HETATM 1902 O HOH 52 -24.200 22.229 -19.546 1.00 30.43 O HETATM 1903 O HOH 53 -9.261 -3.000 -7.071 1.00 32.52 O HETATM 1904 O HOH 54 -29.195 8.446 -25.688 1.00 34.32 O HETATM 1905 O HOH 55 -27.128 16.949 -20.764 1.00 38.61 O HETATM 1906 O HOH 56 -0.589 8.838 -13.225 1.00 24.43 O HETATM 1907 O HOH 57 -9.288 16.525 -20.894 1.00 20.98 O HETATM 1908 O HOH 58 -15.847 21.108 -21.089 1.00 15.26 O HETATM 1909 O HOH 59 -16.474 2.134 -22.416 1.00 26.77 O HETATM 1910 O HOH 60 -25.394 2.334 -23.975 1.00 32.27 O HETATM 1911 O HOH 61 -24.663 23.838 -17.166 1.00 16.01 O HETATM 1912 O HOH 62 -14.029 13.260 -27.862 1.00 27.07 O HETATM 1913 O HOH 63 -9.321 3.317 -23.659 1.00 34.13 O HETATM 1914 O HOH 64 -9.275 2.500 -21.098 1.00 33.00 O HETATM 1915 O HOH 65 3.338 10.419 0.807 1.00 35.97 O HETATM 1916 O HOH 66 -8.242 17.921 -15.796 1.00 26.95 O HETATM 1917 O HOH 67 -6.301 19.651 -14.749 1.00 50.32 O HETATM 1918 O HOH 68 -1.217 21.541 -6.875 1.00 13.49 O HETATM 1919 O HOH 69 -5.846 26.524 -10.658 1.00 38.22 O HETATM 1920 O HOH 70 -19.907 25.556 -16.234 1.00 34.06 O HETATM 1921 O HOH 71 -4.123 10.429 -26.225 1.00 47.69 O HETATM 1922 O HOH 72 -6.403 16.320 -19.939 1.00 15.15 O HETATM 1923 O HOH 73 -2.600 5.225 8.207 1.00 37.16 O HETATM 1924 O HOH 74 -19.035 5.164 -4.239 1.00 20.74 O HETATM 1925 O HOH 75 2.226 11.540 -4.881 1.00 27.25 O HETATM 1926 O HOH 76 -30.706 17.041 -22.980 1.00 37.75 O HETATM 1927 O HOH 77 -8.509 22.003 -9.583 1.00 33.97 O HETATM 1928 O HOH 78 1.565 1.948 -2.382 1.00 43.39 O HETATM 1929 O HOH 79 -24.959 9.130 -11.939 1.00 38.25 O HETATM 1930 O HOH 80 -21.350 0.066 -14.689 1.00 24.87 O HETATM 1931 O HOH 81 -32.788 20.388 -18.606 1.00 25.91 O HETATM 1932 O HOH 82 -27.318 24.330 -16.743 1.00 46.91 O HETATM 1933 O HOH 83 -14.764 15.769 -28.534 1.00 79.40 O HETATM 1934 O HOH 84 5.094 13.165 3.595 1.00 28.01 O HETATM 1935 O HOH 85 -21.117 -2.766 -15.481 1.00 43.92 O HETATM 1936 O HOH 86 -0.860 6.478 6.505 1.00 41.36 O HETATM 1937 O HOH 87 0.916 14.036 -6.863 1.00 34.71 O HETATM 1938 O HOH 88 -15.837 4.408 -23.766 1.00 33.01 O HETATM 1939 O HOH 89 -9.757 24.145 -10.838 1.00 37.86 O HETATM 1940 O HOH 90 -22.583 25.570 -16.936 1.00 29.51 O HETATM 1941 O HOH 91 -5.854 -1.189 -4.988 1.00 30.23 O HETATM 1942 O HOH 92 -2.402 16.983 13.338 1.00 34.77 O HETATM 1943 O HOH 93 -21.833 32.640 4.519 1.00 27.07 O HETATM 1944 O HOH 94 -1.948 -1.265 -6.447 1.00 31.55 O HETATM 1945 O HOH 95 -16.206 37.721 11.680 1.00 13.79 O HETATM 1946 O HOH 96 -14.661 37.767 13.909 1.00 14.34 O HETATM 1947 O HOH 97 -22.528 33.733 11.838 1.00 36.07 O HETATM 1948 O HOH 98 -17.926 22.884 24.034 1.00 17.51 O HETATM 1949 O HOH 99 -18.271 24.898 -14.223 1.00 41.37 O HETATM 1950 O HOH 100 1.451 16.013 8.053 1.00 31.11 O HETATM 1951 O HOH 101 -17.097 29.380 16.651 1.00 31.23 O HETATM 1952 O HOH 102 -16.247 7.023 3.443 1.00 15.07 O HETATM 1953 O HOH 103 -7.638 35.761 0.148 1.00 32.50 O HETATM 1954 O HOH 104 -8.255 20.972 -6.334 1.00 18.12 O HETATM 1955 O HOH 105 -15.548 -0.506 3.573 1.00 30.09 O HETATM 1956 O HOH 106 -22.316 27.591 -3.331 1.00 18.90 O HETATM 1957 O HOH 107 -11.763 26.765 17.224 1.00 14.52 O HETATM 1958 O HOH 108 -7.766 35.754 10.074 1.00 36.91 O HETATM 1959 O HOH 109 -2.264 24.184 6.258 1.00 14.45 O HETATM 1960 O HOH 110 -20.944 34.036 -1.406 1.00 29.88 O HETATM 1961 O HOH 111 -24.723 27.378 9.079 1.00 22.09 O HETATM 1962 O HOH 112 -9.412 35.408 12.156 1.00 35.54 O HETATM 1963 O HOH 113 0.358 17.568 12.361 1.00 34.17 O HETATM 1964 O HOH 114 -23.713 11.001 8.088 1.00 39.42 O HETATM 1965 O HOH 115 -15.052 27.066 -10.960 1.00 17.43 O HETATM 1966 O HOH 116 -23.546 31.748 13.405 1.00 54.46 O HETATM 1967 O HOH 117 -4.133 24.178 -0.334 1.00 23.97 O HETATM 1968 O HOH 118 -1.267 27.657 11.844 1.00 13.67 O HETATM 1969 O HOH 119 0.000 0.000 -3.491 1.00 38.72 O HETATM 1970 O HOH 120 -21.103 8.598 5.080 1.00 19.02 O HETATM 1971 O HOH 121 -12.222 15.763 21.061 1.00 34.48 O HETATM 1972 O HOH 122 -21.602 30.155 -12.471 1.00 44.01 O HETATM 1973 O HOH 123 -0.474 14.457 2.229 1.00 16.18 O HETATM 1974 O HOH 124 -18.323 26.807 16.607 1.00 29.17 O HETATM 1975 O HOH 125 -6.587 27.379 2.250 1.00 35.90 O HETATM 1976 O HOH 126 0.132 2.826 -0.220 1.00 27.23 O HETATM 1977 O HOH 127 -2.121 14.333 13.056 1.00 27.21 O HETATM 1978 O HOH 128 -26.768 20.829 0.754 1.00 19.17 O HETATM 1979 O HOH 129 -7.094 19.073 -4.803 1.00 11.06 O HETATM 1980 O HOH 130 -18.674 8.603 7.173 1.00 26.79 O HETATM 1981 O HOH 131 -0.936 8.895 5.282 1.00 19.92 O HETATM 1982 O HOH 132 -17.655 22.067 -6.181 1.00 13.55 O HETATM 1983 O HOH 133 -18.602 26.484 22.195 1.00 36.10 O HETATM 1984 O HOH 134 -0.672 22.134 2.967 1.00 27.43 O HETATM 1985 O HOH 135 -10.837 28.120 -6.290 1.00 20.71 O HETATM 1986 O HOH 136 -14.929 37.561 -0.173 1.00 20.52 O HETATM 1987 O HOH 137 -20.186 25.438 9.658 1.00 15.06 O HETATM 1988 O HOH 138 -9.026 26.952 3.768 1.00 12.23 O HETATM 1989 O HOH 139 -12.731 23.952 19.759 1.00 20.96 O HETATM 1990 O HOH 140 -18.600 41.552 -1.099 1.00 30.39 O HETATM 1991 O HOH 141 -8.561 41.575 7.194 1.00 21.94 O HETATM 1992 O HOH 142 -7.083 33.144 14.410 1.00 28.78 O HETATM 1993 O HOH 143 -25.094 16.619 -7.303 1.00 19.79 O HETATM 1994 O HOH 144 -13.663 21.397 23.489 1.00 27.89 O HETATM 1995 O HOH 145 -0.236 9.968 8.683 1.00 32.22 O HETATM 1996 O HOH 146 -9.862 23.401 -5.141 1.00 24.29 O HETATM 1997 O HOH 147 -23.775 28.928 4.887 1.00 15.25 O HETATM 1998 O HOH 148 -17.174 3.443 2.797 1.00 15.53 O HETATM 1999 O HOH 149 -21.607 19.156 6.548 1.00 17.26 O HETATM 2000 O HOH 150 -6.832 8.547 14.393 1.00 45.38 O HETATM 2001 O HOH 151 -3.807 29.845 8.551 1.00 14.83 O HETATM 2002 O HOH 152 -22.819 27.246 12.304 1.00 28.61 O HETATM 2003 O HOH 153 -18.846 31.986 -11.660 1.00 28.01 O HETATM 2004 O HOH 154 -27.194 14.332 -0.665 1.00 33.49 O HETATM 2005 O HOH 155 -19.691 12.305 10.356 1.00 52.49 O HETATM 2006 O HOH 156 -7.371 38.475 0.438 1.00 35.40 O HETATM 2007 O HOH 157 -7.358 38.480 13.160 1.00 28.89 O HETATM 2008 O HOH 158 -6.296 22.609 17.153 1.00 21.03 O HETATM 2009 O HOH 159 -22.199 22.767 10.308 1.00 18.52 O HETATM 2010 O HOH 160 -22.858 8.262 1.283 1.00 17.15 O HETATM 2011 O HOH 161 -7.619 36.420 7.366 1.00 26.16 O HETATM 2012 O HOH 162 -21.215 20.407 19.994 1.00 21.73 O HETATM 2013 O HOH 163 -23.071 23.639 13.557 1.00 28.28 O HETATM 2014 O HOH 164 -11.068 22.669 18.106 1.00 31.50 O HETATM 2015 O HOH 165 -12.488 15.669 16.117 1.00 24.56 O HETATM 2016 O HOH 166 -19.075 1.751 3.746 1.00 34.05 O HETATM 2017 O HOH 167 -20.550 35.061 -4.340 1.00 30.99 O HETATM 2018 O HOH 168 -3.658 15.629 17.212 1.00 24.36 O HETATM 2019 O HOH 169 -21.189 29.732 15.031 1.00 20.09 O HETATM 2020 O HOH 170 -9.460 2.320 10.236 1.00 34.38 O HETATM 2021 O HOH 171 -25.250 18.984 4.023 1.00 35.94 O HETATM 2022 O HOH 172 -14.202 3.162 5.960 1.00 21.14 O HETATM 2023 O HOH 173 -22.777 19.750 11.032 1.00 14.11 O HETATM 2024 O HOH 174 -9.340 29.549 16.606 1.00 18.15 O HETATM 2025 O HOH 175 -15.226 11.118 13.078 1.00 18.30 O HETATM 2026 O HOH 176 -12.799 3.717 8.900 1.00 40.12 O HETATM 2027 O HOH 177 -9.377 35.549 -4.193 1.00 20.96 O HETATM 2028 O HOH 178 -12.890 38.004 17.955 1.00 27.83 O HETATM 2029 O HOH 179 -11.125 0.358 5.914 1.00 35.89 O HETATM 2030 O HOH 180 -20.714 27.019 15.030 1.00 24.06 O HETATM 2031 O HOH 181 -20.579 35.811 12.586 1.00 33.00 O HETATM 2032 O HOH 182 -19.468 34.354 3.103 1.00 38.00 O HETATM 2033 O HOH 183 -4.740 32.921 15.767 1.00 38.76 O HETATM 2034 O HOH 184 -1.842 23.290 -1.760 1.00 35.84 O HETATM 2035 O HOH 185 -17.901 35.769 12.681 1.00 23.35 O HETATM 2036 O HOH 186 -8.013 44.016 5.592 1.00 22.24 O HETATM 2037 O HOH 187 -7.754 31.753 16.658 1.00 27.37 O HETATM 2038 O HOH 188 -0.189 14.299 11.044 1.00 35.44 O HETATM 2039 O HOH 189 -19.711 38.059 8.889 1.00 39.56 O HETATM 2040 O HOH 190 -1.669 21.777 0.486 1.00 46.61 O HETATM 2041 O HOH 191 1.868 15.456 5.431 1.00 45.31 O HETATM 2042 O HOH 192 -16.305 33.520 17.276 1.00 28.24 O HETATM 2043 O HOH 193 -13.936 37.997 -2.862 1.00 23.51 O HETATM 2044 O HOH 194 -16.970 6.816 5.992 1.00 22.97 O HETATM 2045 O HOH 195 -14.795 40.531 -2.641 1.00 26.28 O HETATM 2046 O HOH 196 -24.017 31.331 3.714 1.00 21.53 O HETATM 2047 O HOH 197 -12.803 23.754 22.537 1.00 30.77 O HETATM 2048 O HOH 198 -28.797 17.999 -5.144 1.00 31.03 O HETATM 2049 O HOH 199 -10.245 26.311 -8.680 1.00 28.52 O HETATM 2050 O HOH 200 -11.319 38.251 -3.570 1.00 30.71 O HETATM 2051 O HOH 201 -13.845 11.719 15.704 1.00 33.09 O HETATM 2052 O HOH 202 -8.549 21.863 18.555 1.00 26.14 O HETATM 2053 O HOH 203 -2.240 24.145 1.661 1.00 33.64 O HETATM 2054 O HOH 204 1.424 13.211 4.067 1.00 28.82 O HETATM 2055 O HOH 205 -12.447 26.493 -11.060 1.00 28.10 O HETATM 2056 O HOH 206 -16.349 27.820 -13.337 1.00 37.30 O HETATM 2057 O HOH 207 -12.035 29.457 16.791 1.00 22.56 O HETATM 2058 O HOH 208 -10.959 26.732 19.911 1.00 26.08 O HETATM 2059 O HOH 209 -23.475 9.454 3.976 1.00 35.28 O HETATM 2060 O HOH 210 -27.225 19.969 -1.810 1.00 38.53 O HETATM 2061 O HOH 211 -5.617 31.002 18.981 1.00 31.33 O HETATM 2062 C2 UNN A 212 -24.711 15.943 -4.218 1.00 0.32 C HETATM 2063 N UNN A 212 -23.388 15.613 -3.976 1.00 -0.24 N HETATM 2064 C1 UNN A 212 -22.337 16.620 -4.024 1.00 0.16 C HETATM 2065 C UNN A 212 -21.357 16.062 -5.018 1.00 0.23 C HETATM 2066 O UNN A 212 -20.765 15.006 -4.854 1.00 -0.38 O HETATM 2067 N32 UNN A 212 -21.227 16.862 -6.131 1.00 -0.23 N HETATM 2068 C19 UNN A 212 -20.353 16.517 -7.191 1.00 0.07 C HETATM 2069 C20 UNN A 212 -19.321 17.375 -7.564 1.00 -0.02 C HETATM 2070 C21 UNN A 212 -18.489 17.004 -8.601 1.00 -0.07 C HETATM 2071 C22 UNN A 212 -18.678 15.813 -9.254 1.00 -0.08 C HETATM 2072 C23 UNN A 212 -19.692 14.960 -8.879 1.00 -0.08 C HETATM 2073 C24 UNN A 212 -20.533 15.305 -7.846 1.00 -0.05 C HETATM 2074 H20 UNN A 212 -21.331 14.636 -7.545 1.00 0.05 H HETATM 2075 H19 UNN A 212 -19.828 14.018 -9.397 1.00 0.05 H HETATM 2076 H12 UNN A 212 -18.023 15.540 -10.073 1.00 0.05 H HETATM 2077 H11 UNN A 212 -17.680 17.659 -8.902 1.00 0.05 H HETATM 2078 C33 UNN A 212 -19.030 18.689 -6.880 1.00 -0.02 C HETATM 2079 C31 UNN A 212 -18.321 18.294 -5.601 1.00 -0.01 C HETATM 2080 C29 UNN A 212 -16.821 18.288 -5.798 1.00 0.10 C HETATM 2081 C28 UNN A 212 -16.221 18.147 -4.421 1.00 -0.01 C HETATM 2082 N27 UNN A 212 -14.727 18.259 -4.507 1.00 0.23 N HETATM 2083 C26 UNN A 212 -14.232 19.437 -5.281 1.00 0.03 C HETATM 2084 C25 UNN A 212 -15.021 19.561 -6.580 1.00 0.09 C HETATM 2085 O30 UNN A 212 -16.442 19.569 -6.339 1.00 -0.37 O HETATM 2086 H21 UNN A 212 -14.774 18.709 -7.230 1.00 0.06 H HETATM 2087 H22 UNN A 212 -14.739 20.499 -7.081 1.00 0.06 H HETATM 2088 C34 UNN A 212 -14.430 20.652 -4.417 1.00 0.12 C HETATM 2089 O35 UNN A 212 -13.618 21.596 -5.071 1.00 -0.26 O HETATM 2090 C36 UNN A 212 -14.144 22.815 -5.238 1.00 0.32 C HETATM 2091 N37 UNN A 212 -13.243 23.607 -5.886 1.00 -0.25 N HETATM 2092 C39 UNN A 212 -12.290 24.395 -5.149 1.00 0.07 C HETATM 2093 C40 UNN A 212 -12.507 24.477 -3.675 1.00 -0.02 C HETATM 2094 C41 UNN A 212 -13.593 23.935 -3.012 1.00 -0.06 C HETATM 2095 C42 UNN A 212 -13.761 24.014 -1.653 1.00 -0.07 C HETATM 2096 C43 UNN A 212 -12.817 24.683 -0.921 1.00 -0.07 C HETATM 2097 C44 UNN A 212 -11.733 25.228 -1.567 1.00 -0.07 C HETATM 2098 C45 UNN A 212 -11.558 25.127 -2.926 1.00 -0.06 C HETATM 2099 H43 UNN A 212 -10.682 25.555 -3.400 1.00 0.06 H HETATM 2100 H42 UNN A 212 -10.989 25.757 -0.983 1.00 0.06 H HETATM 2101 H41 UNN A 212 -12.923 24.782 0.153 1.00 0.06 H HETATM 2102 H40 UNN A 212 -14.619 23.559 -1.171 1.00 0.06 H HETATM 2103 H39 UNN A 212 -14.349 23.422 -3.595 1.00 0.06 H HETATM 2104 H37 UNN A 212 -12.318 25.419 -5.550 1.00 0.07 H HETATM 2105 H38 UNN A 212 -11.293 23.962 -5.318 1.00 0.07 H HETATM 2106 H36 UNN A 212 -13.244 23.641 -6.885 1.00 0.19 H HETATM 2107 O38 UNN A 212 -15.249 23.157 -4.838 1.00 -0.38 O HETATM 2108 H34 UNN A 212 -14.088 20.473 -3.387 1.00 0.07 H HETATM 2109 H35 UNN A 212 -15.483 20.968 -4.404 1.00 0.07 H HETATM 2110 H23 UNN A 212 -13.164 19.315 -5.513 1.00 0.09 H HETATM 2111 H24 UNN A 212 -14.363 18.324 -3.569 1.00 0.20 H HETATM 2112 H25 UNN A 212 -14.374 17.424 -4.947 1.00 0.20 H HETATM 2113 H26 UNN A 212 -16.610 18.943 -3.769 1.00 0.08 H HETATM 2114 H27 UNN A 212 -16.491 17.166 -4.003 1.00 0.08 H HETATM 2115 H28 UNN A 212 -16.503 17.470 -6.460 1.00 0.07 H HETATM 2116 H29 UNN A 212 -18.578 19.013 -4.809 1.00 0.03 H HETATM 2117 H30 UNN A 212 -18.650 17.288 -5.303 1.00 0.03 H HETATM 2118 H32 UNN A 212 -19.963 19.228 -6.658 1.00 0.04 H HETATM 2119 H33 UNN A 212 -18.382 19.320 -7.506 1.00 0.04 H HETATM 2120 H31 UNN A 212 -21.761 17.705 -6.192 1.00 0.22 H HETATM 2121 C6 UNN A 212 -21.655 16.798 -2.669 1.00 0.07 C HETATM 2122 C7 UNN A 212 -22.609 16.846 -1.495 1.00 -0.02 C HETATM 2123 C18 UNN A 212 -22.348 16.025 -0.414 1.00 -0.06 C HETATM 2124 C17 UNN A 212 -23.196 16.036 0.674 1.00 -0.07 C HETATM 2125 C16 UNN A 212 -24.302 16.870 0.694 1.00 -0.07 C HETATM 2126 C15 UNN A 212 -24.564 17.706 -0.373 1.00 -0.07 C HETATM 2127 C14 UNN A 212 -23.712 17.689 -1.463 1.00 -0.06 C HETATM 2128 H16 UNN A 212 -23.908 18.343 -2.304 1.00 0.06 H HETATM 2129 H9 UNN A 212 -25.424 18.366 -0.357 1.00 0.06 H HETATM 2130 H17 UNN A 212 -24.965 16.866 1.552 1.00 0.06 H HETATM 2131 H18 UNN A 212 -22.995 15.387 1.519 1.00 0.06 H HETATM 2132 H10 UNN A 212 -21.480 15.375 -0.421 1.00 0.06 H HETATM 2133 C8 UNN A 212 -20.699 17.954 -2.576 1.00 -0.02 C HETATM 2134 C9 UNN A 212 -19.448 17.719 -2.061 1.00 -0.06 C HETATM 2135 C10 UNN A 212 -18.538 18.740 -1.914 1.00 -0.07 C HETATM 2136 C11 UNN A 212 -18.882 20.022 -2.288 1.00 -0.07 C HETATM 2137 C12 UNN A 212 -20.138 20.278 -2.798 1.00 -0.07 C HETATM 2138 C13 UNN A 212 -21.042 19.245 -2.941 1.00 -0.06 C HETATM 2139 H8 UNN A 212 -22.029 19.446 -3.342 1.00 0.06 H HETATM 2140 H7 UNN A 212 -20.414 21.286 -3.085 1.00 0.06 H HETATM 2141 H6 UNN A 212 -18.166 20.828 -2.181 1.00 0.06 H HETATM 2142 H5 UNN A 212 -17.554 18.538 -1.506 1.00 0.06 H HETATM 2143 H4 UNN A 212 -19.173 16.713 -1.766 1.00 0.06 H HETATM 2144 H15 UNN A 212 -21.047 15.891 -2.534 1.00 0.07 H HETATM 2145 H14 UNN A 212 -22.739 17.586 -4.362 1.00 0.09 H HETATM 2146 H13 UNN A 212 -23.150 14.665 -3.764 1.00 0.19 H HETATM 2147 O3 UNN A 212 -25.512 14.836 -4.063 1.00 -0.27 O HETATM 2148 C5 UNN A 212 -26.895 15.084 -4.298 1.00 0.07 C HETATM 2149 H1 UNN A 212 -27.464 14.154 -4.154 1.00 0.06 H HETATM 2150 H2 UNN A 212 -27.033 15.443 -5.329 1.00 0.06 H HETATM 2151 H3 UNN A 212 -27.256 15.847 -3.592 1.00 0.06 H HETATM 2152 O4 UNN A 212 -25.104 17.061 -4.511 1.00 -0.38 O CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 926 927 932 933 934 CONECT 933 926 CONECT 934 926 CONECT 2062 2063 2147 2152 CONECT 2063 2062 2064 2146 CONECT 2064 2063 2065 2121 2145 CONECT 2065 2064 2066 2067 CONECT 2066 2065 CONECT 2067 2065 2068 2120 CONECT 2068 2067 2069 2073 CONECT 2069 2068 2070 2078 CONECT 2070 2069 2071 2077 CONECT 2071 2070 2072 2076 CONECT 2072 2071 2073 2075 CONECT 2073 2068 2072 2074 CONECT 2074 2073 CONECT 2075 2072 CONECT 2076 2071 CONECT 2077 2070 CONECT 2078 2069 2079 2118 2119 CONECT 2079 2078 2080 2116 2117 CONECT 2080 2079 2081 2085 2115 CONECT 2081 2080 2082 2113 2114 CONECT 2082 2081 2083 2111 2112 CONECT 2083 2082 2084 2088 2110 CONECT 2084 2083 2085 2086 2087 CONECT 2085 2080 2084 CONECT 2086 2084 CONECT 2087 2084 CONECT 2088 2083 2089 2108 2109 CONECT 2089 2088 2090 CONECT 2090 2089 2091 2107 CONECT 2091 2090 2092 2106 CONECT 2092 2091 2093 2104 2105 CONECT 2093 2092 2094 2098 CONECT 2094 2093 2095 2103 CONECT 2095 2094 2096 2102 CONECT 2096 2095 2097 2101 CONECT 2097 2096 2098 2100 CONECT 2098 2093 2097 2099 CONECT 2099 2098 CONECT 2100 2097 CONECT 2101 2096 CONECT 2102 2095 CONECT 2103 2094 CONECT 2104 2092 CONECT 2105 2092 CONECT 2106 2091 CONECT 2107 2090 CONECT 2108 2088 CONECT 2109 2088 CONECT 2110 2083 CONECT 2111 2082 CONECT 2112 2082 CONECT 2113 2081 CONECT 2114 2081 CONECT 2115 2080 CONECT 2116 2079 CONECT 2117 2079 CONECT 2118 2078 CONECT 2119 2078 CONECT 2120 2067 CONECT 2121 2064 2122 2133 2144 CONECT 2122 2121 2123 2127 CONECT 2123 2122 2124 2132 CONECT 2124 2123 2125 2131 CONECT 2125 2124 2126 2130 CONECT 2126 2125 2127 2129 CONECT 2127 2122 2126 2128 CONECT 2128 2127 CONECT 2129 2126 CONECT 2130 2125 CONECT 2131 2124 CONECT 2132 2123 CONECT 2133 2121 2134 2138 CONECT 2134 2133 2135 2143 CONECT 2135 2134 2136 2142 CONECT 2136 2135 2137 2141 CONECT 2137 2136 2138 2140 CONECT 2138 2133 2137 2139 CONECT 2139 2138 CONECT 2140 2137 CONECT 2141 2136 CONECT 2142 2135 CONECT 2143 2134 CONECT 2144 2121 CONECT 2145 2064 CONECT 2146 2063 CONECT 2147 2062 2148 CONECT 2148 2147 2149 2150 2151 CONECT 2149 2148 CONECT 2150 2148 CONECT 2151 2148 CONECT 2152 2062 MASTER 0 0 0 0 0 0 0 0 2150 2 97 16 END
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Related entries of code: 5ivs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1eby
RCSB PDB
PDBbind
99aa, >1EBY_1|Chains... at 90%
1hxw
RCSB PDB
PDBbind
99aa, >1HXW_1|Chains... at 90%
1izh
RCSB PDB
PDBbind
99aa, >1IZH_1|Chains... at 90%
1k6c
RCSB PDB
PDBbind
99aa, >1K6C_1|Chains... at 91%
1k6p
RCSB PDB
PDBbind
99aa, >1K6P_1|Chains... at 91%
1k6t
RCSB PDB
PDBbind
99aa, >1K6T_1|Chains... at 91%
1k6v
RCSB PDB
PDBbind
99aa, >1K6V_1|Chains... at 91%
1pro
RCSB PDB
PDBbind
99aa, >1PRO_1|Chains... at 90%
1sbg
RCSB PDB
PDBbind
99aa, >1SBG_1|Chains... at 90%
1t7j
RCSB PDB
PDBbind
99aa, >1T7J_1|Chains... at 91%
1vij
RCSB PDB
PDBbind
99aa, >1VIJ_1|Chains... at 90%
1vik
RCSB PDB
PDBbind
99aa, >1VIK_1|Chains... at 90%
1zp8
RCSB PDB
PDBbind
99aa, >1ZP8_1|Chain... at 90%
1zpa
RCSB PDB
PDBbind
99aa, >1ZPA_1|Chain... at 90%
2az8
RCSB PDB
PDBbind
99aa, >2AZ8_1|Chain... at 91%
2az9
RCSB PDB
PDBbind
99aa, >2AZ9_1|Chain... at 90%
2i4d
RCSB PDB
PDBbind
99aa, >2I4D_1|Chains... at 90%
2i4u
RCSB PDB
PDBbind
99aa, >2I4U_1|Chains... at 90%
2i4w
RCSB PDB
PDBbind
99aa, >2I4W_1|Chains... at 90%
2o4k
RCSB PDB
PDBbind
99aa, >2O4K_1|Chains... at 90%
2o4p
RCSB PDB
PDBbind
99aa, >2O4P_1|Chains... at 90%
2o4s
RCSB PDB
PDBbind
99aa, >2O4S_1|Chains... at 90%
2p3b
RCSB PDB
PDBbind
99aa, >2P3B_2|Chain... at 90%
3ekp
RCSB PDB
PDBbind
99aa, >3EKP_1|Chains... at 90%
3ekq
RCSB PDB
PDBbind
99aa, >3EKQ_1|Chains... at 90%
3ekt
RCSB PDB
PDBbind
99aa, >3EKT_1|Chains... at 90%
3ekw
RCSB PDB
PDBbind
99aa, >3EKW_1|Chains... at 90%
3el0
RCSB PDB
PDBbind
99aa, >3EL0_1|Chains... at 90%
3el4
RCSB PDB
PDBbind
99aa, >3EL4_1|Chains... at 92%
3el5
RCSB PDB
PDBbind
99aa, >3EL5_1|Chains... at 91%
3kfn
RCSB PDB
PDBbind
99aa, >3KFN_1|Chains... at 91%
3m9f
RCSB PDB
PDBbind
99aa, >3M9F_1|Chains... at 90%
3tlh
RCSB PDB
PDBbind
99aa, >3TLH_1|Chain... at 90%
4eqj
RCSB PDB
PDBbind
203aa, >4EQJ_1|Chain... *
4ll3
RCSB PDB
PDBbind
99aa, >4LL3_1|Chains... at 90%
4phv
RCSB PDB
PDBbind
99aa, >4PHV_1|Chains... at 90%
5hvp
RCSB PDB
PDBbind
99aa, >5HVP_1|Chains... at 90%
6dgx
RCSB PDB
PDBbind
99aa, >6DGX_1|Chains... at 91%
6dgy
RCSB PDB
PDBbind
99aa, >6DGY_1|Chains... at 91%
6dgz
RCSB PDB
PDBbind
99aa, >6DGZ_1|Chains... at 91%
6dh0
RCSB PDB
PDBbind
99aa, >6DH0_1|Chains... at 90%
6dh1
RCSB PDB
PDBbind
99aa, >6DH1_1|Chains... at 90%
6dh2
RCSB PDB
PDBbind
99aa, >6DH2_1|Chains... at 90%
6dh3
RCSB PDB
PDBbind
99aa, >6DH3_1|Chains... at 90%
6dh4
RCSB PDB
PDBbind
99aa, >6DH4_1|Chains... at 90%
6dh5
RCSB PDB
PDBbind
99aa, >6DH5_1|Chains... at 90%
6dh6
RCSB PDB
PDBbind
99aa, >6DH6_1|Chains... at 90%
6dh7
RCSB PDB
PDBbind
99aa, >6DH7_1|Chains... at 90%
6dh8
RCSB PDB
PDBbind
99aa, >6DH8_1|Chains... at 90%
9hvp
RCSB PDB
PDBbind
99aa, >9HVP_1|Chains... at 90%
6oy2
RCSB PDB
PDBbind
99aa, >6OY2_1|Chains... at 91%
6oy0
RCSB PDB
PDBbind
99aa, >6OY0_1|Chains... at 91%
6oxz
RCSB PDB
PDBbind
99aa, >6OXZ_1|Chains... at 91%
6oxy
RCSB PDB
PDBbind
99aa, >6OXY_1|Chains... at 91%
6oxx
RCSB PDB
PDBbind
99aa, >6OXX_1|Chains... at 91%
6oxw
RCSB PDB
PDBbind
99aa, >6OXW_1|Chains... at 91%
6oxv
RCSB PDB
PDBbind
99aa, >6OXV_1|Chains... at 91%
6oxu
RCSB PDB
PDBbind
99aa, >6OXU_1|Chains... at 91%
6oxt
RCSB PDB
PDBbind
99aa, >6OXT_1|Chains... at 91%
6oxs
RCSB PDB
PDBbind
99aa, >6OXS_1|Chains... at 91%
6oxr
RCSB PDB
PDBbind
99aa, >6OXR_1|Chains... at 91%
6oxq
RCSB PDB
PDBbind
99aa, >6OXQ_1|Chains... at 91%
6oxp
RCSB PDB
PDBbind
99aa, >6OXP_1|Chains... at 91%
6oou
RCSB PDB
PDBbind
99aa, >6OOU_1|Chains... at 90%
6oos
RCSB PDB
PDBbind
99aa, >6OOS_1|Chains... at 90%
6oy1
RCSB PDB
PDBbind
99aa, >6OY1_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5ivs
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HIV Protease
Ligand Name
6EF
EC.Number
E.C.-.-.-.-
Resolution
1.46(Å)
Affinity (Kd/Ki/IC50)
IC50=6.1nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Acs Med.Chem.Lett. Vol. 7: pp. 702-707
Ligand Properties
Formula
C
3
8
H
4
3
N
4
O
6
Molecular Weight
651.771
Exact Mass
651.318
No. of atoms
91
No. of bonds
95
Polar Surface Area
131.6
LOGP Value
5.45 (
Computed with XLOGP3
)
6.80 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
Canonical SMILES
COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1CC[C@H]1OC[C@H]([NH2+]C1)COC(=O)NCc1ccccc1
InChI String
InChI=1S/C38H42N4O6/c1-46-38(45)42-35(34(29-16-7-3-8-17-29)30-18-9-4-10-19-30)36(43)41-33-20-12-11-15-28(33)21-22-32-24-39-31(25-47-32)26-48-37(44)40-23-27-13-5-2-6-14-27/h2-20,31-32,34-35,39H,21-26H2,1H3,(H,40,44)(H,41,43)(H,42,45)/p+1/t31-,32+,35-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q77VV3
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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