Browse entries in the PDBbind-CN Database
HEADER 2LP8_COMPLEX COMPND 2LP8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 185 MET SER GLN SER ASN ARG GLU LEU VAL VAL ASP PHE LEU SEQRES 2 A 185 SER TYR LYS LEU SER GLN LYS GLY TYR SER TRP SER GLN SEQRES 3 A 185 PHE SER ASP VAL GLU GLU ASN ARG THR GLU ALA PRO GLU SEQRES 4 A 185 GLY THR GLU SER GLU ALA VAL LYS GLN ALA LEU ARG GLU SEQRES 5 A 185 ALA GLY ASP GLU PHE GLU LEU ARG TYR ARG ARG ALA PHE SEQRES 6 A 185 SER ASP LEU THR SER GLN LEU HIS ILE THR PRO GLY THR SEQRES 7 A 185 ALA TYR GLN SER PHE GLU GLN VAL VAL ASN GLU LEU PHE SEQRES 8 A 185 ARG ASP GLY VAL ASN TRP GLY ARG ILE VAL ALA PHE PHE SEQRES 9 A 185 SER PHE GLY GLY ALA LEU CYS VAL GLU SER VAL ASP LYS SEQRES 10 A 185 GLU MET GLN VAL LEU VAL SER ARG ILE ALA ALA TRP MET SEQRES 11 A 185 ALA THR TYR LEU ASN ASP HIS LEU GLU PRO TRP ILE GLN SEQRES 12 A 185 GLU ASN GLY GLY TRP ASP THR PHE VAL GLU LEU TYR GLY SEQRES 13 A 185 ASN ASN ALA ALA ALA GLU SER ARG LYS GLY GLN GLU ARG SEQRES 14 A 185 LEU GLU HIS HIS HIS HIS HIS HIS LEU GLU HIS HIS HIS SEQRES 15 A 185 HIS HIS HIS HET ACE A 186 270 ATOM 1 N MET A 1 5.260 10.495 11.127 1.00 4.13 N ATOM 2 CA MET A 1 5.403 9.985 12.510 1.00 3.61 C ATOM 3 C MET A 1 4.377 8.894 12.795 1.00 2.48 C ATOM 4 O MET A 1 4.736 7.744 13.049 1.00 2.89 O ATOM 5 CB MET A 1 5.256 11.126 13.523 1.00 4.18 C ATOM 6 CG MET A 1 5.177 10.646 14.965 1.00 4.89 C ATOM 7 SD MET A 1 6.592 9.636 15.443 1.00 5.86 S ATOM 8 CE MET A 1 6.041 9.029 17.035 1.00 6.21 C ATOM 9 HA MET A 1 6.400 9.555 12.609 1.00 0.00 H ATOM 10 HB2 MET A 1 6.116 11.788 13.425 1.00 0.00 H ATOM 11 HB3 MET A 1 4.345 11.679 13.292 1.00 0.00 H ATOM 12 HG2 MET A 1 4.270 10.054 15.086 1.00 0.00 H ATOM 13 HG3 MET A 1 5.132 11.516 15.620 1.00 0.00 H ATOM 14 HE1 MET A 1 5.859 9.873 17.701 1.00 0.00 H ATOM 15 HE2 MET A 1 5.120 8.461 16.907 1.00 0.00 H ATOM 16 HE3 MET A 1 6.810 8.386 17.463 1.00 0.00 H ATOM 17 HN3 MET A 1 4.306 10.890 11.002 1.00 0.00 H ATOM 18 HN2 MET A 1 5.404 9.715 10.454 1.00 0.00 H ATOM 19 HN1 MET A 1 5.969 11.236 10.957 1.00 0.00 H ATOM 20 N SER A 2 3.102 9.255 12.753 1.00 1.64 N ATOM 21 CA SER A 2 2.037 8.309 13.036 1.00 0.95 C ATOM 22 C SER A 2 0.943 8.391 11.974 1.00 0.84 C ATOM 23 O SER A 2 0.687 7.422 11.269 1.00 1.03 O ATOM 24 CB SER A 2 1.461 8.565 14.431 1.00 1.55 C ATOM 25 OG SER A 2 2.464 8.429 15.430 1.00 1.87 O ATOM 26 HA SER A 2 2.452 7.301 13.012 1.00 0.00 H ATOM 27 HB2 SER A 2 0.664 7.847 14.625 1.00 0.00 H ATOM 28 HB3 SER A 2 1.054 9.576 14.469 1.00 0.00 H ATOM 29 HG SER A 2 2.066 8.599 16.321 1.00 0.00 H ATOM 30 H SER A 2 2.859 10.237 12.512 1.00 0.00 H ATOM 31 N GLN A 3 0.332 9.567 11.830 1.00 0.73 N ATOM 32 CA GLN A 3 -0.769 9.751 10.877 1.00 0.73 C ATOM 33 C GLN A 3 -0.290 9.702 9.428 1.00 0.61 C ATOM 34 O GLN A 3 -1.087 9.850 8.502 1.00 0.64 O ATOM 35 CB GLN A 3 -1.509 11.070 11.124 1.00 0.83 C ATOM 36 CG GLN A 3 -2.468 11.031 12.303 1.00 1.13 C ATOM 37 CD GLN A 3 -1.762 10.953 13.639 1.00 1.76 C ATOM 38 OE1 GLN A 3 -0.658 11.469 13.801 1.00 2.42 O ATOM 39 NE2 GLN A 3 -2.391 10.302 14.601 1.00 2.22 N ATOM 40 HA GLN A 3 -1.455 8.920 11.041 1.00 0.00 H ATOM 41 HB2 GLN A 3 -0.769 11.849 11.310 1.00 0.00 H ATOM 42 HB3 GLN A 3 -2.078 11.317 10.228 1.00 0.00 H ATOM 43 HG2 GLN A 3 -3.078 11.934 12.285 1.00 0.00 H ATOM 44 HG3 GLN A 3 -3.111 10.157 12.199 1.00 0.00 H ATOM 45 HE22 GLN A 3 -3.324 9.881 14.420 1.00 0.00 H ATOM 46 HE21 GLN A 3 -1.953 10.211 15.540 1.00 0.00 H ATOM 47 H GLN A 3 0.643 10.374 12.407 1.00 0.00 H ATOM 48 N SER A 4 1.002 9.485 9.232 1.00 0.55 N ATOM 49 CA SER A 4 1.569 9.382 7.895 1.00 0.52 C ATOM 50 C SER A 4 1.022 8.151 7.165 1.00 0.45 C ATOM 51 O SER A 4 1.085 8.065 5.939 1.00 0.46 O ATOM 52 CB SER A 4 3.091 9.329 7.990 1.00 0.61 C ATOM 53 OG SER A 4 3.574 10.402 8.784 1.00 1.25 O ATOM 54 HA SER A 4 1.282 10.261 7.318 1.00 0.00 H ATOM 55 HB2 SER A 4 3.517 9.402 6.989 1.00 0.00 H ATOM 56 HB3 SER A 4 3.390 8.384 8.442 1.00 0.00 H ATOM 57 HG SER A 4 4.561 10.354 8.836 1.00 0.00 H ATOM 58 H SER A 4 1.629 9.385 10.056 1.00 0.00 H ATOM 59 N ASN A 5 0.464 7.216 7.932 1.00 0.43 N ATOM 60 CA ASN A 5 -0.220 6.051 7.368 1.00 0.39 C ATOM 61 C ASN A 5 -1.380 6.478 6.472 1.00 0.35 C ATOM 62 O ASN A 5 -1.760 5.761 5.545 1.00 0.35 O ATOM 63 CB ASN A 5 -0.746 5.129 8.476 1.00 0.40 C ATOM 64 CG ASN A 5 -1.335 5.884 9.648 1.00 0.80 C ATOM 65 OD1 ASN A 5 -1.898 6.969 9.493 1.00 1.78 O ATOM 66 ND2 ASN A 5 -1.200 5.322 10.840 1.00 0.53 N ATOM 67 HA ASN A 5 0.510 5.506 6.770 1.00 0.00 H ATOM 68 HB2 ASN A 5 -1.518 4.485 8.054 1.00 0.00 H ATOM 69 HB3 ASN A 5 0.079 4.515 8.838 1.00 0.00 H ATOM 70 HD22 ASN A 5 -0.718 4.405 10.931 1.00 0.00 H ATOM 71 HD21 ASN A 5 -1.576 5.798 11.685 1.00 0.00 H ATOM 72 H ASN A 5 0.516 7.317 8.966 1.00 0.00 H ATOM 73 N ARG A 6 -1.935 7.650 6.763 1.00 0.35 N ATOM 74 CA ARG A 6 -3.018 8.210 5.971 1.00 0.34 C ATOM 75 C ARG A 6 -2.577 8.388 4.526 1.00 0.31 C ATOM 76 O ARG A 6 -3.273 7.977 3.599 1.00 0.30 O ATOM 77 CB ARG A 6 -3.458 9.554 6.560 1.00 0.41 C ATOM 78 CG ARG A 6 -4.531 10.256 5.748 1.00 0.59 C ATOM 79 CD ARG A 6 -5.744 9.365 5.552 1.00 0.41 C ATOM 80 NE ARG A 6 -6.406 9.051 6.822 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.669 9.370 7.112 1.00 0.69 C ATOM 82 NH1 ARG A 6 -8.406 10.046 6.241 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.185 9.012 8.279 1.00 0.93 N ATOM 84 HA ARG A 6 -3.863 7.522 5.994 1.00 0.00 H ATOM 85 HB2 ARG A 6 -3.845 9.380 7.564 1.00 0.00 H ATOM 86 HB3 ARG A 6 -2.587 10.207 6.616 1.00 0.00 H ATOM 87 HG2 ARG A 6 -4.836 11.163 6.271 1.00 0.00 H ATOM 88 HG3 ARG A 6 -4.123 10.521 4.773 1.00 0.00 H ATOM 89 HD2 ARG A 6 -5.425 8.435 5.081 1.00 0.00 H ATOM 90 HD3 ARG A 6 -6.454 9.875 4.901 1.00 0.00 H ATOM 91 HE ARG A 6 -5.855 8.546 7.545 1.00 0.00 H ATOM 92 HH12 ARG A 6 -9.390 10.292 6.472 1.00 0.00 H ATOM 93 HH11 ARG A 6 -8.000 10.330 5.327 1.00 0.00 H ATOM 94 HH22 ARG A 6 -9.169 9.258 8.510 1.00 0.00 H ATOM 95 HH21 ARG A 6 -7.606 8.485 8.964 1.00 0.00 H ATOM 96 H ARG A 6 -1.583 8.184 7.583 1.00 0.00 H ATOM 97 N GLU A 7 -1.403 8.976 4.361 1.00 0.30 N ATOM 98 CA GLU A 7 -0.834 9.239 3.045 1.00 0.29 C ATOM 99 C GLU A 7 -0.767 7.974 2.226 1.00 0.25 C ATOM 100 O GLU A 7 -1.147 7.948 1.060 1.00 0.26 O ATOM 101 CB GLU A 7 0.594 9.746 3.173 1.00 0.31 C ATOM 102 CG GLU A 7 0.755 11.023 3.952 1.00 0.40 C ATOM 103 CD GLU A 7 2.215 11.349 4.162 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.906 11.600 3.156 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.689 11.315 5.315 1.00 0.53 O ATOM 106 HA GLU A 7 -1.474 9.979 2.566 1.00 0.00 H ATOM 107 HB2 GLU A 7 1.183 8.973 3.667 1.00 0.00 H ATOM 108 HB3 GLU A 7 0.984 9.912 2.169 1.00 0.00 H ATOM 109 HG2 GLU A 7 0.283 11.838 3.403 1.00 0.00 H ATOM 110 HG3 GLU A 7 0.271 10.912 4.922 1.00 0.00 H ATOM 111 H GLU A 7 -0.865 9.262 5.204 1.00 0.00 H ATOM 112 N LEU A 8 -0.253 6.936 2.862 1.00 0.26 N ATOM 113 CA LEU A 8 0.019 5.676 2.205 1.00 0.27 C ATOM 114 C LEU A 8 -1.259 5.130 1.588 1.00 0.28 C ATOM 115 O LEU A 8 -1.257 4.628 0.469 1.00 0.40 O ATOM 116 CB LEU A 8 0.612 4.693 3.218 1.00 0.34 C ATOM 117 CG LEU A 8 1.585 5.321 4.230 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.265 4.250 5.064 1.00 1.00 C ATOM 119 CD2 LEU A 8 2.621 6.199 3.536 1.00 1.16 C ATOM 120 HA LEU A 8 0.743 5.823 1.403 1.00 0.00 H ATOM 121 HB2 LEU A 8 -0.210 4.240 3.773 1.00 0.00 H ATOM 122 HB3 LEU A 8 1.147 3.919 2.667 1.00 0.00 H ATOM 123 HG LEU A 8 1.001 5.956 4.896 1.00 0.00 H ATOM 124 HD21 LEU A 8 3.195 5.595 2.833 1.00 0.00 H ATOM 125 HD22 LEU A 8 2.115 7.001 2.999 1.00 0.00 H ATOM 126 HD23 LEU A 8 3.292 6.626 4.282 1.00 0.00 H ATOM 127 HD11 LEU A 8 1.511 3.682 5.608 1.00 0.00 H ATOM 128 HD12 LEU A 8 2.823 3.581 4.409 1.00 0.00 H ATOM 129 HD13 LEU A 8 2.948 4.721 5.771 1.00 0.00 H ATOM 130 H LEU A 8 -0.035 7.028 3.875 1.00 0.00 H ATOM 131 N VAL A 9 -2.355 5.277 2.319 1.00 0.23 N ATOM 132 CA VAL A 9 -3.666 4.916 1.814 1.00 0.23 C ATOM 133 C VAL A 9 -4.070 5.853 0.681 1.00 0.23 C ATOM 134 O VAL A 9 -4.295 5.427 -0.451 1.00 0.24 O ATOM 135 CB VAL A 9 -4.715 4.992 2.940 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.119 4.802 2.395 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.415 3.963 4.015 1.00 0.27 C ATOM 138 HA VAL A 9 -3.619 3.894 1.438 1.00 0.00 H ATOM 139 HB VAL A 9 -4.661 5.986 3.385 1.00 0.00 H ATOM 140 HG11 VAL A 9 -6.333 5.583 1.666 1.00 0.00 H ATOM 141 HG12 VAL A 9 -6.192 3.826 1.916 1.00 0.00 H ATOM 142 HG13 VAL A 9 -6.836 4.861 3.214 1.00 0.00 H ATOM 143 HG21 VAL A 9 -4.436 2.965 3.577 1.00 0.00 H ATOM 144 HG22 VAL A 9 -3.428 4.156 4.436 1.00 0.00 H ATOM 145 HG23 VAL A 9 -5.166 4.032 4.802 1.00 0.00 H ATOM 146 H VAL A 9 -2.273 5.662 3.282 1.00 0.00 H ATOM 147 N VAL A 10 -4.135 7.136 1.008 1.00 0.23 N ATOM 148 CA VAL A 10 -4.618 8.163 0.091 1.00 0.25 C ATOM 149 C VAL A 10 -3.888 8.145 -1.247 1.00 0.25 C ATOM 150 O VAL A 10 -4.528 8.125 -2.301 1.00 0.27 O ATOM 151 CB VAL A 10 -4.472 9.552 0.730 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.963 10.642 -0.197 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.228 9.588 2.035 1.00 0.32 C ATOM 154 HA VAL A 10 -5.668 7.944 -0.102 1.00 0.00 H ATOM 155 HB VAL A 10 -3.414 9.736 0.918 1.00 0.00 H ATOM 156 HG11 VAL A 10 -4.382 10.622 -1.119 1.00 0.00 H ATOM 157 HG12 VAL A 10 -6.016 10.475 -0.426 1.00 0.00 H ATOM 158 HG13 VAL A 10 -4.844 11.611 0.288 1.00 0.00 H ATOM 159 HG21 VAL A 10 -6.282 9.382 1.849 1.00 0.00 H ATOM 160 HG22 VAL A 10 -4.823 8.833 2.709 1.00 0.00 H ATOM 161 HG23 VAL A 10 -5.123 10.574 2.487 1.00 0.00 H ATOM 162 H VAL A 10 -3.828 7.423 1.959 1.00 0.00 H ATOM 163 N ASP A 11 -2.560 8.153 -1.203 1.00 0.26 N ATOM 164 CA ASP A 11 -1.754 8.203 -2.419 1.00 0.28 C ATOM 165 C ASP A 11 -2.099 7.045 -3.347 1.00 0.31 C ATOM 166 O ASP A 11 -2.151 7.207 -4.570 1.00 0.35 O ATOM 167 CB ASP A 11 -0.261 8.169 -2.085 1.00 0.32 C ATOM 168 CG ASP A 11 0.609 8.348 -3.315 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.704 9.490 -3.816 1.00 0.59 O ATOM 170 OD2 ASP A 11 1.199 7.355 -3.787 1.00 0.49 O ATOM 171 HA ASP A 11 -1.980 9.141 -2.927 1.00 0.00 H ATOM 172 HB2 ASP A 11 -0.041 8.971 -1.380 1.00 0.00 H ATOM 173 HB3 ASP A 11 -0.026 7.209 -1.626 1.00 0.00 H ATOM 174 H ASP A 11 -2.083 8.123 -0.279 1.00 0.00 H ATOM 175 N PHE A 12 -2.370 5.886 -2.764 1.00 0.32 N ATOM 176 CA PHE A 12 -2.689 4.713 -3.549 1.00 0.38 C ATOM 177 C PHE A 12 -4.086 4.820 -4.135 1.00 0.34 C ATOM 178 O PHE A 12 -4.272 4.570 -5.325 1.00 0.39 O ATOM 179 CB PHE A 12 -2.572 3.443 -2.721 1.00 0.46 C ATOM 180 CG PHE A 12 -2.533 2.194 -3.556 1.00 0.76 C ATOM 181 CD1 PHE A 12 -1.382 1.845 -4.245 1.00 1.24 C ATOM 182 CD2 PHE A 12 -3.641 1.371 -3.652 1.00 0.98 C ATOM 183 CE1 PHE A 12 -1.337 0.699 -5.012 1.00 1.61 C ATOM 184 CE2 PHE A 12 -3.602 0.223 -4.420 1.00 1.38 C ATOM 185 CZ PHE A 12 -2.449 -0.113 -5.100 1.00 1.61 C ATOM 186 HA PHE A 12 -1.966 4.660 -4.363 1.00 0.00 H ATOM 187 HB2 PHE A 12 -1.656 3.496 -2.133 1.00 0.00 H ATOM 188 HB3 PHE A 12 -3.430 3.386 -2.051 1.00 0.00 H ATOM 189 HD2 PHE A 12 -4.554 1.631 -3.116 1.00 0.00 H ATOM 190 HE2 PHE A 12 -4.482 -0.417 -4.489 1.00 0.00 H ATOM 191 HZ PHE A 12 -2.417 -1.019 -5.706 1.00 0.00 H ATOM 192 HE1 PHE A 12 -0.425 0.436 -5.547 1.00 0.00 H ATOM 193 HD1 PHE A 12 -0.501 2.484 -4.180 1.00 0.00 H ATOM 194 H PHE A 12 -2.353 5.819 -1.726 1.00 0.00 H ATOM 195 N LEU A 13 -5.071 5.199 -3.314 1.00 0.28 N ATOM 196 CA LEU A 13 -6.430 5.352 -3.819 1.00 0.28 C ATOM 197 C LEU A 13 -6.452 6.389 -4.936 1.00 0.30 C ATOM 198 O LEU A 13 -7.137 6.211 -5.939 1.00 0.34 O ATOM 199 CB LEU A 13 -7.428 5.720 -2.707 1.00 0.25 C ATOM 200 CG LEU A 13 -7.969 4.532 -1.895 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.026 4.137 -0.787 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.346 4.830 -1.329 1.00 0.27 C ATOM 203 HA LEU A 13 -6.748 4.388 -4.217 1.00 0.00 H ATOM 204 HB2 LEU A 13 -6.929 6.401 -2.018 1.00 0.00 H ATOM 205 HB3 LEU A 13 -8.275 6.228 -3.168 1.00 0.00 H ATOM 206 HG LEU A 13 -8.053 3.691 -2.584 1.00 0.00 H ATOM 207 HD21 LEU A 13 -9.288 5.700 -0.674 1.00 0.00 H ATOM 208 HD22 LEU A 13 -10.037 5.035 -2.147 1.00 0.00 H ATOM 209 HD23 LEU A 13 -9.698 3.969 -0.761 1.00 0.00 H ATOM 210 HD11 LEU A 13 -6.065 3.851 -1.214 1.00 0.00 H ATOM 211 HD12 LEU A 13 -6.888 4.981 -0.111 1.00 0.00 H ATOM 212 HD13 LEU A 13 -7.446 3.294 -0.238 1.00 0.00 H ATOM 213 H LEU A 13 -4.867 5.385 -2.311 1.00 0.00 H ATOM 214 N SER A 14 -5.659 7.442 -4.773 1.00 0.29 N ATOM 215 CA SER A 14 -5.510 8.465 -5.805 1.00 0.33 C ATOM 216 C SER A 14 -5.082 7.841 -7.131 1.00 0.37 C ATOM 217 O SER A 14 -5.697 8.079 -8.172 1.00 0.42 O ATOM 218 CB SER A 14 -4.478 9.508 -5.373 1.00 0.33 C ATOM 219 OG SER A 14 -4.813 10.078 -4.119 1.00 1.05 O ATOM 220 HA SER A 14 -6.477 8.949 -5.941 1.00 0.00 H ATOM 221 HB2 SER A 14 -4.437 10.298 -6.123 1.00 0.00 H ATOM 222 HB3 SER A 14 -3.501 9.030 -5.296 1.00 0.00 H ATOM 223 HG SER A 14 -4.847 9.366 -3.432 1.00 0.00 H ATOM 224 H SER A 14 -5.128 7.541 -3.884 1.00 0.00 H ATOM 225 N TYR A 15 -4.037 7.022 -7.079 1.00 0.37 N ATOM 226 CA TYR A 15 -3.523 6.361 -8.272 1.00 0.45 C ATOM 227 C TYR A 15 -4.561 5.393 -8.835 1.00 0.43 C ATOM 228 O TYR A 15 -4.649 5.190 -10.046 1.00 0.55 O ATOM 229 CB TYR A 15 -2.226 5.612 -7.947 1.00 0.52 C ATOM 230 CG TYR A 15 -1.492 5.113 -9.172 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.578 5.925 -9.828 1.00 0.72 C ATOM 232 CD2 TYR A 15 -1.713 3.837 -9.675 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.094 5.483 -10.948 1.00 0.89 C ATOM 234 CE2 TYR A 15 -1.046 3.386 -10.798 1.00 1.06 C ATOM 235 CZ TYR A 15 -0.143 4.215 -11.430 1.00 1.03 C ATOM 236 OH TYR A 15 0.527 3.775 -12.550 1.00 1.22 O ATOM 237 HA TYR A 15 -3.311 7.121 -9.024 1.00 0.00 H ATOM 238 HB3 TYR A 15 -2.470 4.756 -7.319 1.00 0.00 H ATOM 239 HB2 TYR A 15 -1.566 6.286 -7.400 1.00 0.00 H ATOM 240 HD2 TYR A 15 -2.425 3.180 -9.175 1.00 0.00 H ATOM 241 HE2 TYR A 15 -1.232 2.383 -11.181 1.00 0.00 H ATOM 242 HE1 TYR A 15 0.810 6.134 -11.450 1.00 0.00 H ATOM 243 HD1 TYR A 15 -0.388 6.930 -9.451 1.00 0.00 H ATOM 244 HH TYR A 15 1.131 4.490 -12.874 1.00 0.00 H ATOM 245 H TYR A 15 -3.574 6.848 -6.164 1.00 0.00 H ATOM 246 N LYS A 16 -5.355 4.811 -7.946 1.00 0.33 N ATOM 247 CA LYS A 16 -6.372 3.844 -8.338 1.00 0.33 C ATOM 248 C LYS A 16 -7.423 4.477 -9.210 1.00 0.33 C ATOM 249 O LYS A 16 -7.816 3.909 -10.215 1.00 0.42 O ATOM 250 CB LYS A 16 -7.023 3.210 -7.112 1.00 0.34 C ATOM 251 CG LYS A 16 -6.095 2.307 -6.313 1.00 0.61 C ATOM 252 CD LYS A 16 -5.313 1.344 -7.198 1.00 0.57 C ATOM 253 CE LYS A 16 -4.018 1.973 -7.696 1.00 1.18 C ATOM 254 NZ LYS A 16 -3.162 1.000 -8.418 1.00 1.41 N ATOM 255 HA LYS A 16 -5.874 3.064 -8.913 1.00 0.00 H ATOM 256 HB2 LYS A 16 -7.371 4.009 -6.457 1.00 0.00 H ATOM 257 HB3 LYS A 16 -7.875 2.617 -7.445 1.00 0.00 H ATOM 258 HG2 LYS A 16 -5.389 2.929 -5.764 1.00 0.00 H ATOM 259 HG3 LYS A 16 -6.692 1.728 -5.608 1.00 0.00 H ATOM 260 HD2 LYS A 16 -5.075 0.448 -6.624 1.00 0.00 H ATOM 261 HD3 LYS A 16 -5.928 1.071 -8.056 1.00 0.00 H ATOM 262 HE2 LYS A 16 -3.464 2.361 -6.841 1.00 0.00 H ATOM 263 HE3 LYS A 16 -4.263 2.793 -8.371 1.00 0.00 H ATOM 264 HZ1 LYS A 16 -2.916 0.216 -7.780 1.00 0.00 H ATOM 265 HZ2 LYS A 16 -3.679 0.630 -9.241 1.00 0.00 H ATOM 266 HZ3 LYS A 16 -2.293 1.474 -8.737 1.00 0.00 H ATOM 267 H LYS A 16 -5.249 5.052 -6.940 1.00 0.00 H ATOM 268 N LEU A 17 -7.869 5.655 -8.838 1.00 0.33 N ATOM 269 CA LEU A 17 -8.867 6.350 -9.645 1.00 0.32 C ATOM 270 C LEU A 17 -8.237 6.853 -10.936 1.00 0.35 C ATOM 271 O LEU A 17 -8.894 6.922 -11.977 1.00 0.36 O ATOM 272 CB LEU A 17 -9.516 7.511 -8.883 1.00 0.35 C ATOM 273 CG LEU A 17 -10.492 7.116 -7.772 1.00 0.53 C ATOM 274 CD1 LEU A 17 -11.011 5.700 -7.964 1.00 1.35 C ATOM 275 CD2 LEU A 17 -9.832 7.277 -6.424 1.00 1.15 C ATOM 276 HA LEU A 17 -9.655 5.635 -9.881 1.00 0.00 H ATOM 277 HB2 LEU A 17 -8.719 8.103 -8.433 1.00 0.00 H ATOM 278 HB3 LEU A 17 -10.059 8.122 -9.604 1.00 0.00 H ATOM 279 HG LEU A 17 -11.354 7.782 -7.820 1.00 0.00 H ATOM 280 HD21 LEU A 17 -8.951 6.637 -6.373 1.00 0.00 H ATOM 281 HD22 LEU A 17 -9.535 8.317 -6.288 1.00 0.00 H ATOM 282 HD23 LEU A 17 -10.535 6.993 -5.641 1.00 0.00 H ATOM 283 HD11 LEU A 17 -11.530 5.631 -8.920 1.00 0.00 H ATOM 284 HD12 LEU A 17 -10.173 5.003 -7.952 1.00 0.00 H ATOM 285 HD13 LEU A 17 -11.701 5.455 -7.157 1.00 0.00 H ATOM 286 H LEU A 17 -7.510 6.094 -7.966 1.00 0.00 H ATOM 287 N SER A 18 -6.951 7.161 -10.864 1.00 0.41 N ATOM 288 CA SER A 18 -6.213 7.690 -12.001 1.00 0.48 C ATOM 289 C SER A 18 -6.211 6.699 -13.172 1.00 0.51 C ATOM 290 O SER A 18 -6.379 7.094 -14.327 1.00 0.58 O ATOM 291 CB SER A 18 -4.780 8.018 -11.573 1.00 0.57 C ATOM 292 OG SER A 18 -4.108 8.793 -12.550 1.00 0.94 O ATOM 293 HA SER A 18 -6.705 8.601 -12.342 1.00 0.00 H ATOM 294 HB2 SER A 18 -4.234 7.087 -11.423 1.00 0.00 H ATOM 295 HB3 SER A 18 -4.809 8.576 -10.637 1.00 0.00 H ATOM 296 HG SER A 18 -3.187 8.986 -12.241 1.00 0.00 H ATOM 297 H SER A 18 -6.451 7.020 -9.963 1.00 0.00 H ATOM 298 N GLN A 19 -6.059 5.411 -12.867 1.00 0.52 N ATOM 299 CA GLN A 19 -6.007 4.372 -13.900 1.00 0.57 C ATOM 300 C GLN A 19 -7.395 4.012 -14.419 1.00 0.51 C ATOM 301 O GLN A 19 -7.543 3.152 -15.286 1.00 0.59 O ATOM 302 CB GLN A 19 -5.308 3.123 -13.367 1.00 0.68 C ATOM 303 CG GLN A 19 -5.813 2.700 -12.007 1.00 0.84 C ATOM 304 CD GLN A 19 -5.214 1.398 -11.526 1.00 0.97 C ATOM 305 OE1 GLN A 19 -4.158 1.378 -10.898 1.00 1.37 O ATOM 306 NE2 GLN A 19 -5.902 0.302 -11.795 1.00 1.19 N ATOM 307 HA GLN A 19 -5.435 4.776 -14.735 1.00 0.00 H ATOM 308 HB2 GLN A 19 -5.473 2.306 -14.069 1.00 0.00 H ATOM 309 HB3 GLN A 19 -4.240 3.327 -13.293 1.00 0.00 H ATOM 310 HG2 GLN A 19 -5.567 3.481 -11.288 1.00 0.00 H ATOM 311 HG3 GLN A 19 -6.896 2.585 -12.060 1.00 0.00 H ATOM 312 HE22 GLN A 19 -6.792 0.365 -12.330 1.00 0.00 H ATOM 313 HE21 GLN A 19 -5.554 -0.623 -11.472 1.00 0.00 H ATOM 314 H GLN A 19 -5.975 5.135 -11.868 1.00 0.00 H ATOM 315 N LYS A 20 -8.408 4.669 -13.887 1.00 0.45 N ATOM 316 CA LYS A 20 -9.783 4.433 -14.310 1.00 0.49 C ATOM 317 C LYS A 20 -10.293 5.653 -15.036 1.00 0.48 C ATOM 318 O LYS A 20 -11.182 5.581 -15.883 1.00 0.53 O ATOM 319 CB LYS A 20 -10.672 4.168 -13.102 1.00 0.57 C ATOM 320 CG LYS A 20 -9.981 3.399 -12.001 1.00 0.49 C ATOM 321 CD LYS A 20 -9.536 2.021 -12.454 1.00 1.20 C ATOM 322 CE LYS A 20 -10.700 1.218 -13.005 1.00 1.75 C ATOM 323 NZ LYS A 20 -10.277 -0.123 -13.485 1.00 2.20 N ATOM 324 HA LYS A 20 -9.806 3.564 -14.967 1.00 0.00 H ATOM 325 HB2 LYS A 20 -11.002 5.126 -12.699 1.00 0.00 H ATOM 326 HB3 LYS A 20 -11.539 3.596 -13.431 1.00 0.00 H ATOM 327 HG2 LYS A 20 -9.106 3.961 -11.676 1.00 0.00 H ATOM 328 HG3 LYS A 20 -10.671 3.288 -11.164 1.00 0.00 H ATOM 329 HD2 LYS A 20 -8.780 2.130 -13.231 1.00 0.00 H ATOM 330 HD3 LYS A 20 -9.108 1.489 -11.604 1.00 0.00 H ATOM 331 HE2 LYS A 20 -11.143 1.766 -13.837 1.00 0.00 H ATOM 332 HE3 LYS A 20 -11.444 1.091 -12.218 1.00 0.00 H ATOM 333 HZ1 LYS A 20 -9.572 -0.013 -14.242 1.00 0.00 H ATOM 334 HZ2 LYS A 20 -9.860 -0.657 -12.696 1.00 0.00 H ATOM 335 HZ3 LYS A 20 -11.104 -0.635 -13.852 1.00 0.00 H ATOM 336 H LYS A 20 -8.221 5.374 -13.146 1.00 0.00 H ATOM 337 N GLY A 21 -9.714 6.775 -14.672 1.00 0.45 N ATOM 338 CA GLY A 21 -10.068 8.040 -15.271 1.00 0.49 C ATOM 339 C GLY A 21 -10.956 8.856 -14.365 1.00 0.47 C ATOM 340 O GLY A 21 -11.662 9.760 -14.811 1.00 0.53 O ATOM 341 HA3 GLY A 21 -10.594 7.853 -16.207 1.00 0.00 H ATOM 342 HA2 GLY A 21 -9.157 8.603 -15.474 1.00 0.00 H ATOM 343 H GLY A 21 -8.982 6.751 -13.934 1.00 0.00 H ATOM 344 N TYR A 22 -10.922 8.522 -13.086 1.00 0.40 N ATOM 345 CA TYR A 22 -11.629 9.278 -12.070 1.00 0.37 C ATOM 346 C TYR A 22 -10.630 10.046 -11.229 1.00 0.36 C ATOM 347 O TYR A 22 -9.426 9.800 -11.309 1.00 0.38 O ATOM 348 CB TYR A 22 -12.451 8.360 -11.164 1.00 0.34 C ATOM 349 CG TYR A 22 -13.649 7.727 -11.844 1.00 0.38 C ATOM 350 CD1 TYR A 22 -13.487 6.717 -12.784 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.940 8.140 -11.542 1.00 0.50 C ATOM 352 CE1 TYR A 22 -14.577 6.136 -13.403 1.00 0.60 C ATOM 353 CE2 TYR A 22 -16.037 7.561 -12.155 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.850 6.560 -13.085 1.00 0.62 C ATOM 355 OH TYR A 22 -16.941 5.978 -13.696 1.00 0.76 O ATOM 356 HA TYR A 22 -12.311 9.966 -12.570 1.00 0.00 H ATOM 357 HB3 TYR A 22 -12.808 8.946 -10.317 1.00 0.00 H ATOM 358 HB2 TYR A 22 -11.801 7.563 -10.804 1.00 0.00 H ATOM 359 HD2 TYR A 22 -15.092 8.933 -10.810 1.00 0.00 H ATOM 360 HE2 TYR A 22 -17.044 7.894 -11.904 1.00 0.00 H ATOM 361 HE1 TYR A 22 -14.431 5.346 -14.140 1.00 0.00 H ATOM 362 HD1 TYR A 22 -12.483 6.377 -13.037 1.00 0.00 H ATOM 363 HH TYR A 22 -16.631 5.284 -14.330 1.00 0.00 H ATOM 364 H TYR A 22 -10.370 7.689 -12.799 1.00 0.00 H ATOM 365 N SER A 23 -11.116 10.974 -10.434 1.00 0.37 N ATOM 366 CA SER A 23 -10.254 11.709 -9.549 1.00 0.39 C ATOM 367 C SER A 23 -10.522 11.321 -8.110 1.00 0.35 C ATOM 368 O SER A 23 -11.660 11.056 -7.725 1.00 0.34 O ATOM 369 CB SER A 23 -10.473 13.200 -9.721 1.00 0.45 C ATOM 370 OG SER A 23 -9.353 13.939 -9.264 1.00 0.52 O ATOM 371 HA SER A 23 -9.221 11.467 -9.797 1.00 0.00 H ATOM 372 HB2 SER A 23 -11.353 13.498 -9.151 1.00 0.00 H ATOM 373 HB3 SER A 23 -10.635 13.416 -10.777 1.00 0.00 H ATOM 374 HG SER A 23 -9.524 14.906 -9.388 1.00 0.00 H ATOM 375 H SER A 23 -12.136 11.178 -10.446 1.00 0.00 H ATOM 376 N TRP A 24 -9.467 11.294 -7.324 1.00 0.37 N ATOM 377 CA TRP A 24 -9.590 11.044 -5.907 1.00 0.36 C ATOM 378 C TRP A 24 -10.150 12.279 -5.212 1.00 0.35 C ATOM 379 O TRP A 24 -11.109 12.188 -4.453 1.00 0.34 O ATOM 380 CB TRP A 24 -8.230 10.652 -5.315 1.00 0.45 C ATOM 381 CG TRP A 24 -8.022 11.138 -3.913 1.00 0.43 C ATOM 382 CD1 TRP A 24 -8.533 10.601 -2.769 1.00 0.96 C ATOM 383 CD2 TRP A 24 -7.246 12.274 -3.515 1.00 1.27 C ATOM 384 NE1 TRP A 24 -8.136 11.346 -1.685 1.00 0.61 N ATOM 385 CE2 TRP A 24 -7.341 12.374 -2.118 1.00 1.10 C ATOM 386 CE3 TRP A 24 -6.483 13.218 -4.209 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -6.703 13.381 -1.400 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -5.849 14.216 -3.495 1.00 3.36 C ATOM 389 CH2 TRP A 24 -5.962 14.290 -2.103 1.00 3.13 C ATOM 390 HA TRP A 24 -10.279 10.214 -5.748 1.00 0.00 H ATOM 391 HB2 TRP A 24 -8.153 9.565 -5.318 1.00 0.00 H ATOM 392 HB3 TRP A 24 -7.446 11.072 -5.945 1.00 0.00 H ATOM 393 HE1 TRP A 24 -8.397 11.160 -0.696 1.00 0.00 H ATOM 394 HD1 TRP A 24 -9.163 9.713 -2.721 1.00 0.00 H ATOM 395 HZ2 TRP A 24 -6.791 13.443 -0.315 1.00 0.00 H ATOM 396 HH2 TRP A 24 -5.449 15.089 -1.568 1.00 0.00 H ATOM 397 HZ3 TRP A 24 -5.251 14.958 -4.025 1.00 0.00 H ATOM 398 HE3 TRP A 24 -6.390 13.167 -5.294 1.00 0.00 H ATOM 399 H TRP A 24 -8.524 11.456 -7.732 1.00 0.00 H ATOM 400 N SER A 25 -9.569 13.433 -5.517 1.00 0.39 N ATOM 401 CA SER A 25 -9.902 14.669 -4.826 1.00 0.44 C ATOM 402 C SER A 25 -11.339 15.108 -5.103 1.00 0.43 C ATOM 403 O SER A 25 -11.990 15.700 -4.243 1.00 0.49 O ATOM 404 CB SER A 25 -8.912 15.762 -5.222 1.00 0.53 C ATOM 405 OG SER A 25 -8.564 15.658 -6.595 1.00 1.37 O ATOM 406 HA SER A 25 -9.828 14.489 -3.753 1.00 0.00 H ATOM 407 HB2 SER A 25 -8.011 15.664 -4.617 1.00 0.00 H ATOM 408 HB3 SER A 25 -9.365 16.737 -5.041 1.00 0.00 H ATOM 409 HG SER A 25 -7.923 16.376 -6.827 1.00 0.00 H ATOM 410 H SER A 25 -8.855 13.454 -6.272 1.00 0.00 H ATOM 411 N GLN A 26 -11.846 14.797 -6.295 1.00 0.40 N ATOM 412 CA GLN A 26 -13.226 15.131 -6.638 1.00 0.42 C ATOM 413 C GLN A 26 -14.208 14.429 -5.710 1.00 0.38 C ATOM 414 O GLN A 26 -15.333 14.884 -5.509 1.00 0.41 O ATOM 415 CB GLN A 26 -13.533 14.750 -8.077 1.00 0.47 C ATOM 416 CG GLN A 26 -12.786 15.589 -9.087 1.00 0.59 C ATOM 417 CD GLN A 26 -13.240 15.333 -10.508 1.00 0.73 C ATOM 418 OE1 GLN A 26 -13.699 14.241 -10.837 1.00 1.11 O ATOM 419 NE2 GLN A 26 -13.115 16.335 -11.359 1.00 1.10 N ATOM 420 HA GLN A 26 -13.338 16.209 -6.521 1.00 0.00 H ATOM 421 HB2 GLN A 26 -13.260 13.705 -8.225 1.00 0.00 H ATOM 422 HB3 GLN A 26 -14.603 14.873 -8.248 1.00 0.00 H ATOM 423 HG2 GLN A 26 -12.946 16.642 -8.853 1.00 0.00 H ATOM 424 HG3 GLN A 26 -11.723 15.360 -9.013 1.00 0.00 H ATOM 425 HE22 GLN A 26 -12.721 17.243 -11.039 1.00 0.00 H ATOM 426 HE21 GLN A 26 -13.410 16.216 -12.349 1.00 0.00 H ATOM 427 H GLN A 26 -11.249 14.308 -6.993 1.00 0.00 H ATOM 428 N PHE A 27 -13.770 13.312 -5.156 1.00 0.35 N ATOM 429 CA PHE A 27 -14.607 12.483 -4.311 1.00 0.38 C ATOM 430 C PHE A 27 -13.997 12.324 -2.923 1.00 0.43 C ATOM 431 O PHE A 27 -14.387 11.438 -2.159 1.00 0.67 O ATOM 432 CB PHE A 27 -14.776 11.125 -4.984 1.00 0.43 C ATOM 433 CG PHE A 27 -15.473 11.231 -6.310 1.00 0.67 C ATOM 434 CD1 PHE A 27 -16.809 11.593 -6.379 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.784 10.997 -7.490 1.00 0.94 C ATOM 436 CE1 PHE A 27 -17.445 11.714 -7.599 1.00 1.16 C ATOM 437 CE2 PHE A 27 -15.414 11.120 -8.713 1.00 1.20 C ATOM 438 CZ PHE A 27 -16.746 11.478 -8.767 1.00 1.28 C ATOM 439 HA PHE A 27 -15.580 12.958 -4.183 1.00 0.00 H ATOM 440 HB2 PHE A 27 -13.791 10.685 -5.139 1.00 0.00 H ATOM 441 HB3 PHE A 27 -15.362 10.479 -4.330 1.00 0.00 H ATOM 442 HD2 PHE A 27 -13.732 10.713 -7.452 1.00 0.00 H ATOM 443 HE2 PHE A 27 -14.861 10.935 -9.634 1.00 0.00 H ATOM 444 HZ PHE A 27 -17.246 11.574 -9.731 1.00 0.00 H ATOM 445 HE1 PHE A 27 -18.497 11.995 -7.640 1.00 0.00 H ATOM 446 HD1 PHE A 27 -17.364 11.784 -5.460 1.00 0.00 H ATOM 447 H PHE A 27 -12.789 13.017 -5.333 1.00 0.00 H ATOM 448 N SER A 28 -13.065 13.204 -2.588 1.00 0.39 N ATOM 449 CA SER A 28 -12.289 13.053 -1.372 1.00 0.42 C ATOM 450 C SER A 28 -12.798 13.938 -0.246 1.00 0.58 C ATOM 451 O SER A 28 -13.801 14.638 -0.382 1.00 1.01 O ATOM 452 CB SER A 28 -10.812 13.338 -1.635 1.00 0.62 C ATOM 453 OG SER A 28 -10.561 14.725 -1.805 1.00 1.81 O ATOM 454 HA SER A 28 -12.404 12.017 -1.052 1.00 0.00 H ATOM 455 HB2 SER A 28 -10.507 12.811 -2.539 1.00 0.00 H ATOM 456 HB3 SER A 28 -10.227 12.975 -0.790 1.00 0.00 H ATOM 457 HG SER A 28 -11.084 15.062 -2.575 1.00 0.00 H ATOM 458 H SER A 28 -12.886 14.019 -3.209 1.00 0.00 H ATOM 459 N ASP A 29 -12.094 13.860 0.870 1.00 0.63 N ATOM 460 CA ASP A 29 -12.427 14.589 2.084 1.00 0.84 C ATOM 461 C ASP A 29 -11.299 14.417 3.093 1.00 0.88 C ATOM 462 O ASP A 29 -11.075 15.272 3.951 1.00 1.03 O ATOM 463 CB ASP A 29 -13.744 14.070 2.663 1.00 1.04 C ATOM 464 CG ASP A 29 -14.009 14.563 4.072 1.00 1.69 C ATOM 465 OD1 ASP A 29 -14.556 15.670 4.222 1.00 1.85 O ATOM 466 OD2 ASP A 29 -13.675 13.842 5.035 1.00 2.31 O ATOM 467 HA ASP A 29 -12.547 15.648 1.855 1.00 0.00 H ATOM 468 HB2 ASP A 29 -14.560 14.400 2.020 1.00 0.00 H ATOM 469 HB3 ASP A 29 -13.712 12.981 2.677 1.00 0.00 H ATOM 470 H ASP A 29 -11.256 13.244 0.881 1.00 0.00 H ATOM 471 N VAL A 30 -10.560 13.322 2.908 1.00 0.80 N ATOM 472 CA VAL A 30 -9.497 12.884 3.811 1.00 0.82 C ATOM 473 C VAL A 30 -8.547 14.023 4.201 1.00 0.82 C ATOM 474 O VAL A 30 -8.554 14.472 5.341 1.00 0.92 O ATOM 475 CB VAL A 30 -8.711 11.713 3.164 1.00 0.81 C ATOM 476 CG1 VAL A 30 -9.540 10.438 3.193 1.00 0.89 C ATOM 477 CG2 VAL A 30 -8.323 12.037 1.724 1.00 0.76 C ATOM 478 HA VAL A 30 -9.968 12.544 4.733 1.00 0.00 H ATOM 479 HB VAL A 30 -7.800 11.566 3.744 1.00 0.00 H ATOM 480 HG11 VAL A 30 -9.774 10.181 4.226 1.00 0.00 H ATOM 481 HG12 VAL A 30 -10.465 10.595 2.638 1.00 0.00 H ATOM 482 HG13 VAL A 30 -8.973 9.627 2.735 1.00 0.00 H ATOM 483 HG21 VAL A 30 -9.224 12.217 1.138 1.00 0.00 H ATOM 484 HG22 VAL A 30 -7.695 12.928 1.710 1.00 0.00 H ATOM 485 HG23 VAL A 30 -7.774 11.197 1.299 1.00 0.00 H ATOM 486 H VAL A 30 -10.753 12.742 2.066 1.00 0.00 H ATOM 487 N GLU A 31 -7.732 14.479 3.261 1.00 0.78 N ATOM 488 CA GLU A 31 -6.853 15.614 3.500 1.00 0.83 C ATOM 489 C GLU A 31 -7.467 16.861 2.886 1.00 0.88 C ATOM 490 O GLU A 31 -6.899 17.954 2.942 1.00 0.98 O ATOM 491 CB GLU A 31 -5.452 15.367 2.928 1.00 0.93 C ATOM 492 CG GLU A 31 -5.433 15.064 1.439 1.00 1.05 C ATOM 493 CD GLU A 31 -4.029 15.053 0.869 1.00 2.05 C ATOM 494 OE1 GLU A 31 -3.370 13.993 0.913 1.00 2.74 O ATOM 495 OE2 GLU A 31 -3.572 16.112 0.380 1.00 2.46 O ATOM 496 HA GLU A 31 -6.745 15.752 4.576 1.00 0.00 H ATOM 497 HB2 GLU A 31 -4.848 16.257 3.104 1.00 0.00 H ATOM 498 HB3 GLU A 31 -5.011 14.521 3.455 1.00 0.00 H ATOM 499 HG2 GLU A 31 -5.885 14.086 1.275 1.00 0.00 H ATOM 500 HG3 GLU A 31 -6.016 15.824 0.919 1.00 0.00 H ATOM 501 H GLU A 31 -7.720 14.015 2.330 1.00 0.00 H ATOM 502 N GLU A 32 -8.643 16.673 2.303 1.00 0.87 N ATOM 503 CA GLU A 32 -9.343 17.733 1.604 1.00 0.98 C ATOM 504 C GLU A 32 -9.821 18.803 2.578 1.00 1.09 C ATOM 505 O GLU A 32 -9.522 19.988 2.421 1.00 1.24 O ATOM 506 CB GLU A 32 -10.529 17.146 0.840 1.00 0.98 C ATOM 507 CG GLU A 32 -11.447 18.195 0.236 1.00 1.12 C ATOM 508 CD GLU A 32 -12.593 17.592 -0.544 1.00 1.20 C ATOM 509 OE1 GLU A 32 -12.331 16.828 -1.500 1.00 1.45 O ATOM 510 OE2 GLU A 32 -13.759 17.869 -0.201 1.00 1.17 O ATOM 511 HA GLU A 32 -8.655 18.201 0.900 1.00 0.00 H ATOM 512 HB2 GLU A 32 -10.144 16.521 0.035 1.00 0.00 H ATOM 513 HB3 GLU A 32 -11.112 16.533 1.527 1.00 0.00 H ATOM 514 HG2 GLU A 32 -11.856 18.805 1.041 1.00 0.00 H ATOM 515 HG3 GLU A 32 -10.863 18.825 -0.434 1.00 0.00 H ATOM 516 H GLU A 32 -9.080 15.730 2.349 1.00 0.00 H ATOM 517 N ASN A 33 -10.553 18.376 3.594 1.00 1.09 N ATOM 518 CA ASN A 33 -11.156 19.304 4.533 1.00 1.27 C ATOM 519 C ASN A 33 -10.355 19.383 5.822 1.00 1.32 C ATOM 520 O ASN A 33 -10.339 20.414 6.491 1.00 1.68 O ATOM 521 CB ASN A 33 -12.597 18.890 4.818 1.00 1.36 C ATOM 522 CG ASN A 33 -13.478 19.011 3.590 1.00 1.48 C ATOM 523 OD1 ASN A 33 -14.042 20.070 3.316 1.00 1.87 O ATOM 524 ND2 ASN A 33 -13.609 17.922 2.845 1.00 1.35 N ATOM 525 HA ASN A 33 -11.154 20.297 4.084 1.00 0.00 H ATOM 526 HB2 ASN A 33 -12.605 17.854 5.156 1.00 0.00 H ATOM 527 HB3 ASN A 33 -12.998 19.530 5.603 1.00 0.00 H ATOM 528 HD22 ASN A 33 -13.115 17.047 3.112 1.00 0.00 H ATOM 529 HD21 ASN A 33 -14.206 17.943 1.994 1.00 0.00 H ATOM 530 H ASN A 33 -10.699 17.354 3.722 1.00 0.00 H ATOM 531 N ARG A 34 -9.683 18.297 6.164 1.00 1.22 N ATOM 532 CA ARG A 34 -8.832 18.273 7.342 1.00 1.29 C ATOM 533 C ARG A 34 -7.433 17.832 6.953 1.00 1.17 C ATOM 534 O ARG A 34 -7.258 17.068 6.008 1.00 1.24 O ATOM 535 CB ARG A 34 -9.405 17.334 8.406 1.00 1.50 C ATOM 536 CG ARG A 34 -9.425 15.870 7.993 1.00 1.52 C ATOM 537 CD ARG A 34 -10.063 14.997 9.059 1.00 1.91 C ATOM 538 NE ARG A 34 -11.504 15.220 9.160 1.00 2.18 N ATOM 539 CZ ARG A 34 -12.177 15.257 10.308 1.00 2.65 C ATOM 540 NH1 ARG A 34 -11.532 15.165 11.469 1.00 2.89 N ATOM 541 NH2 ARG A 34 -13.498 15.403 10.296 1.00 3.39 N ATOM 542 HA ARG A 34 -8.789 19.278 7.763 1.00 0.00 H ATOM 543 HB2 ARG A 34 -8.800 17.428 9.308 1.00 0.00 H ATOM 544 HB3 ARG A 34 -10.428 17.644 8.622 1.00 0.00 H ATOM 545 HG2 ARG A 34 -9.993 15.771 7.068 1.00 0.00 H ATOM 546 HG3 ARG A 34 -8.401 15.535 7.827 1.00 0.00 H ATOM 547 HD2 ARG A 34 -9.603 15.223 10.021 1.00 0.00 H ATOM 548 HD3 ARG A 34 -9.885 13.951 8.810 1.00 0.00 H ATOM 549 HE ARG A 34 -12.038 15.359 8.278 1.00 0.00 H ATOM 550 HH12 ARG A 34 -12.063 15.195 12.363 1.00 0.00 H ATOM 551 HH11 ARG A 34 -10.497 15.064 11.482 1.00 0.00 H ATOM 552 HH22 ARG A 34 -14.026 15.432 11.191 1.00 0.00 H ATOM 553 HH21 ARG A 34 -14.004 15.488 9.391 1.00 0.00 H ATOM 554 H ARG A 34 -9.765 17.442 5.578 1.00 0.00 H ATOM 555 N THR A 35 -6.438 18.321 7.660 1.00 1.31 N ATOM 556 CA THR A 35 -5.069 17.949 7.365 1.00 1.39 C ATOM 557 C THR A 35 -4.532 16.966 8.390 1.00 1.34 C ATOM 558 O THR A 35 -4.284 17.312 9.549 1.00 1.55 O ATOM 559 CB THR A 35 -4.143 19.170 7.286 1.00 1.82 C ATOM 560 OG1 THR A 35 -4.387 20.062 8.383 1.00 2.05 O ATOM 561 CG2 THR A 35 -4.322 19.905 5.970 1.00 2.25 C ATOM 562 HA THR A 35 -5.084 17.470 6.386 1.00 0.00 H ATOM 563 HB THR A 35 -3.115 18.812 7.345 1.00 0.00 H ATOM 564 HG1 THR A 35 -4.221 19.588 9.236 1.00 0.00 H ATOM 565 HG23 THR A 35 -4.135 19.219 5.144 1.00 0.00 H ATOM 566 HG21 THR A 35 -5.341 20.286 5.904 1.00 0.00 H ATOM 567 HG22 THR A 35 -3.618 20.736 5.921 1.00 0.00 H ATOM 568 H THR A 35 -6.636 18.981 8.439 1.00 0.00 H ATOM 569 N GLU A 36 -4.384 15.731 7.955 1.00 1.44 N ATOM 570 CA GLU A 36 -3.883 14.669 8.807 1.00 1.68 C ATOM 571 C GLU A 36 -2.365 14.600 8.708 1.00 1.43 C ATOM 572 O GLU A 36 -1.650 15.113 9.568 1.00 1.46 O ATOM 573 CB GLU A 36 -4.497 13.326 8.399 1.00 2.17 C ATOM 574 CG GLU A 36 -6.018 13.317 8.411 1.00 2.49 C ATOM 575 CD GLU A 36 -6.591 13.511 9.798 1.00 2.96 C ATOM 576 OE1 GLU A 36 -6.777 12.505 10.513 1.00 3.30 O ATOM 577 OE2 GLU A 36 -6.854 14.667 10.186 1.00 3.34 O ATOM 578 HA GLU A 36 -4.164 14.882 9.838 1.00 0.00 H ATOM 579 HB2 GLU A 36 -4.160 13.086 7.391 1.00 0.00 H ATOM 580 HB3 GLU A 36 -4.143 12.562 9.091 1.00 0.00 H ATOM 581 HG2 GLU A 36 -6.377 14.121 7.769 1.00 0.00 H ATOM 582 HG3 GLU A 36 -6.365 12.360 8.021 1.00 0.00 H ATOM 583 H GLU A 36 -4.634 15.511 6.970 1.00 0.00 H ATOM 584 N ALA A 37 -1.887 13.964 7.651 1.00 1.50 N ATOM 585 CA ALA A 37 -0.463 13.865 7.390 1.00 1.39 C ATOM 586 C ALA A 37 -0.040 14.844 6.299 1.00 1.27 C ATOM 587 O ALA A 37 -0.874 15.291 5.505 1.00 1.58 O ATOM 588 CB ALA A 37 -0.108 12.442 6.993 1.00 1.92 C ATOM 589 HA ALA A 37 0.075 14.124 8.302 1.00 0.00 H ATOM 590 HB1 ALA A 37 -0.374 11.763 7.803 1.00 0.00 H ATOM 591 HB2 ALA A 37 -0.659 12.169 6.093 1.00 0.00 H ATOM 592 HB3 ALA A 37 0.963 12.377 6.799 1.00 0.00 H ATOM 593 H ALA A 37 -2.553 13.521 6.986 1.00 0.00 H ATOM 594 N PRO A 38 1.255 15.210 6.268 1.00 1.10 N ATOM 595 CA PRO A 38 1.846 16.011 5.181 1.00 1.43 C ATOM 596 C PRO A 38 1.692 15.357 3.803 1.00 1.79 C ATOM 597 O PRO A 38 1.058 14.311 3.660 1.00 1.87 O ATOM 598 CB PRO A 38 3.330 16.096 5.576 1.00 1.34 C ATOM 599 CG PRO A 38 3.333 15.900 7.046 1.00 1.26 C ATOM 600 CD PRO A 38 2.240 14.913 7.320 1.00 1.01 C ATOM 601 HA PRO A 38 1.356 16.979 5.080 1.00 0.00 H ATOM 602 HD3 PRO A 38 2.606 13.890 7.237 1.00 0.00 H ATOM 603 HD2 PRO A 38 1.813 15.066 8.311 1.00 0.00 H ATOM 604 HG3 PRO A 38 3.133 16.842 7.557 1.00 0.00 H ATOM 605 HG2 PRO A 38 4.294 15.506 7.376 1.00 0.00 H ATOM 606 HB2 PRO A 38 3.906 15.314 5.081 1.00 0.00 H ATOM 607 HB3 PRO A 38 3.743 17.070 5.316 1.00 0.00 H ATOM 608 N GLU A 39 2.275 15.979 2.788 1.00 2.28 N ATOM 609 CA GLU A 39 2.214 15.455 1.434 1.00 2.76 C ATOM 610 C GLU A 39 3.239 14.341 1.246 1.00 2.66 C ATOM 611 O GLU A 39 3.236 13.628 0.240 1.00 3.08 O ATOM 612 CB GLU A 39 2.439 16.572 0.406 1.00 3.38 C ATOM 613 CG GLU A 39 3.697 17.398 0.644 1.00 3.52 C ATOM 614 CD GLU A 39 3.513 18.484 1.684 1.00 4.22 C ATOM 615 OE1 GLU A 39 3.729 18.204 2.882 1.00 4.64 O ATOM 616 OE2 GLU A 39 3.158 19.619 1.310 1.00 4.44 O ATOM 617 HA GLU A 39 1.219 15.041 1.274 1.00 0.00 H ATOM 618 HB2 GLU A 39 2.510 16.118 -0.582 1.00 0.00 H ATOM 619 HB3 GLU A 39 1.580 17.242 0.435 1.00 0.00 H ATOM 620 HG2 GLU A 39 4.492 16.730 0.977 1.00 0.00 H ATOM 621 HG3 GLU A 39 3.988 17.865 -0.297 1.00 0.00 H ATOM 622 H GLU A 39 2.790 16.865 2.965 1.00 0.00 H ATOM 623 N GLY A 40 4.118 14.201 2.224 1.00 2.15 N ATOM 624 CA GLY A 40 5.117 13.156 2.187 1.00 2.04 C ATOM 625 C GLY A 40 6.197 13.379 3.215 1.00 1.57 C ATOM 626 O GLY A 40 7.362 13.560 2.864 1.00 1.75 O ATOM 627 HA3 GLY A 40 5.571 13.136 1.196 1.00 0.00 H ATOM 628 HA2 GLY A 40 4.634 12.199 2.384 1.00 0.00 H ATOM 629 H GLY A 40 4.090 14.853 3.033 1.00 0.00 H ATOM 630 N THR A 41 5.820 13.356 4.492 1.00 1.12 N ATOM 631 CA THR A 41 6.767 13.664 5.552 1.00 0.86 C ATOM 632 C THR A 41 7.840 12.571 5.648 1.00 0.75 C ATOM 633 O THR A 41 8.973 12.763 5.202 1.00 0.85 O ATOM 634 CB THR A 41 6.041 13.843 6.911 1.00 0.80 C ATOM 635 OG1 THR A 41 6.972 13.792 8.001 1.00 0.95 O ATOM 636 CG2 THR A 41 4.957 12.791 7.108 1.00 0.91 C ATOM 637 HA THR A 41 7.257 14.607 5.307 1.00 0.00 H ATOM 638 HB THR A 41 5.568 14.825 6.896 1.00 0.00 H ATOM 639 HG1 THR A 41 6.485 13.908 8.855 1.00 0.00 H ATOM 640 HG23 THR A 41 4.254 12.836 6.276 1.00 0.00 H ATOM 641 HG21 THR A 41 5.415 11.802 7.146 1.00 0.00 H ATOM 642 HG22 THR A 41 4.430 12.985 8.042 1.00 0.00 H ATOM 643 H THR A 41 4.838 13.115 4.734 1.00 0.00 H ATOM 644 N GLU A 42 7.477 11.427 6.210 1.00 0.69 N ATOM 645 CA GLU A 42 8.325 10.247 6.171 1.00 0.66 C ATOM 646 C GLU A 42 7.930 9.398 4.984 1.00 0.54 C ATOM 647 O GLU A 42 8.746 8.720 4.358 1.00 0.56 O ATOM 648 CB GLU A 42 8.163 9.429 7.450 1.00 0.74 C ATOM 649 CG GLU A 42 6.786 8.794 7.621 1.00 0.65 C ATOM 650 CD GLU A 42 6.707 7.951 8.874 1.00 1.20 C ATOM 651 OE1 GLU A 42 7.378 6.898 8.931 1.00 2.02 O ATOM 652 OE2 GLU A 42 6.010 8.358 9.826 1.00 1.17 O ATOM 653 HA GLU A 42 9.366 10.560 6.084 1.00 0.00 H ATOM 654 HB2 GLU A 42 8.907 8.633 7.443 1.00 0.00 H ATOM 655 HB3 GLU A 42 8.344 10.086 8.301 1.00 0.00 H ATOM 656 HG2 GLU A 42 6.038 9.584 7.680 1.00 0.00 H ATOM 657 HG3 GLU A 42 6.579 8.162 6.757 1.00 0.00 H ATOM 658 H GLU A 42 6.558 11.372 6.693 1.00 0.00 H ATOM 659 N SER A 43 6.646 9.474 4.692 1.00 0.48 N ATOM 660 CA SER A 43 5.999 8.607 3.739 1.00 0.43 C ATOM 661 C SER A 43 6.590 8.690 2.351 1.00 0.43 C ATOM 662 O SER A 43 6.479 7.739 1.612 1.00 0.49 O ATOM 663 CB SER A 43 4.532 8.942 3.663 1.00 0.50 C ATOM 664 OG SER A 43 3.890 8.743 4.907 1.00 1.25 O ATOM 665 HA SER A 43 6.154 7.589 4.096 1.00 0.00 H ATOM 666 HB2 SER A 43 4.061 8.304 2.915 1.00 0.00 H ATOM 667 HB3 SER A 43 4.421 9.986 3.370 1.00 0.00 H ATOM 668 HG SER A 43 2.931 8.972 4.822 1.00 0.00 H ATOM 669 H SER A 43 6.072 10.195 5.173 1.00 0.00 H ATOM 670 N GLU A 44 7.199 9.811 1.998 1.00 0.46 N ATOM 671 CA GLU A 44 7.744 9.993 0.647 1.00 0.52 C ATOM 672 C GLU A 44 8.498 8.746 0.171 1.00 0.51 C ATOM 673 O GLU A 44 8.386 8.356 -0.985 1.00 0.58 O ATOM 674 CB GLU A 44 8.652 11.220 0.588 1.00 0.61 C ATOM 675 CG GLU A 44 9.303 11.422 -0.771 1.00 0.72 C ATOM 676 CD GLU A 44 10.217 12.627 -0.815 1.00 1.17 C ATOM 677 OE1 GLU A 44 9.726 13.744 -1.083 1.00 1.29 O ATOM 678 OE2 GLU A 44 11.433 12.465 -0.588 1.00 1.91 O ATOM 679 HA GLU A 44 6.901 10.151 -0.026 1.00 0.00 H ATOM 680 HB2 GLU A 44 8.057 12.103 0.821 1.00 0.00 H ATOM 681 HB3 GLU A 44 9.438 11.105 1.335 1.00 0.00 H ATOM 682 HG2 GLU A 44 9.887 10.534 -1.012 1.00 0.00 H ATOM 683 HG3 GLU A 44 8.519 11.553 -1.516 1.00 0.00 H ATOM 684 H GLU A 44 7.293 10.579 2.693 1.00 0.00 H ATOM 685 N ALA A 45 9.232 8.110 1.072 1.00 0.48 N ATOM 686 CA ALA A 45 9.893 6.850 0.758 1.00 0.48 C ATOM 687 C ALA A 45 8.964 5.658 0.980 1.00 0.41 C ATOM 688 O ALA A 45 8.923 4.740 0.162 1.00 0.41 O ATOM 689 CB ALA A 45 11.154 6.694 1.587 1.00 0.52 C ATOM 690 HA ALA A 45 10.162 6.871 -0.298 1.00 0.00 H ATOM 691 HB1 ALA A 45 11.835 7.517 1.369 1.00 0.00 H ATOM 692 HB2 ALA A 45 10.895 6.706 2.646 1.00 0.00 H ATOM 693 HB3 ALA A 45 11.635 5.748 1.340 1.00 0.00 H ATOM 694 H ALA A 45 9.339 8.518 2.023 1.00 0.00 H ATOM 695 N VAL A 46 8.207 5.668 2.076 1.00 0.37 N ATOM 696 CA VAL A 46 7.365 4.522 2.418 1.00 0.34 C ATOM 697 C VAL A 46 6.206 4.350 1.426 1.00 0.34 C ATOM 698 O VAL A 46 5.914 3.235 1.020 1.00 0.39 O ATOM 699 CB VAL A 46 6.835 4.564 3.883 1.00 0.49 C ATOM 700 CG1 VAL A 46 7.407 5.722 4.667 1.00 1.41 C ATOM 701 CG2 VAL A 46 5.330 4.628 3.939 1.00 1.13 C ATOM 702 HA VAL A 46 8.014 3.649 2.343 1.00 0.00 H ATOM 703 HB VAL A 46 7.168 3.632 4.340 1.00 0.00 H ATOM 704 HG11 VAL A 46 8.493 5.634 4.703 1.00 0.00 H ATOM 705 HG12 VAL A 46 7.133 6.659 4.181 1.00 0.00 H ATOM 706 HG13 VAL A 46 7.006 5.706 5.681 1.00 0.00 H ATOM 707 HG21 VAL A 46 4.987 5.527 3.427 1.00 0.00 H ATOM 708 HG22 VAL A 46 4.912 3.748 3.451 1.00 0.00 H ATOM 709 HG23 VAL A 46 5.007 4.656 4.980 1.00 0.00 H ATOM 710 H VAL A 46 8.215 6.502 2.697 1.00 0.00 H ATOM 711 N LYS A 47 5.563 5.448 1.023 1.00 0.34 N ATOM 712 CA LYS A 47 4.476 5.381 0.050 1.00 0.36 C ATOM 713 C LYS A 47 5.041 4.985 -1.301 1.00 0.39 C ATOM 714 O LYS A 47 4.416 4.248 -2.058 1.00 0.43 O ATOM 715 CB LYS A 47 3.726 6.720 -0.057 1.00 0.38 C ATOM 716 CG LYS A 47 4.608 7.881 -0.486 1.00 0.49 C ATOM 717 CD LYS A 47 3.841 9.179 -0.655 1.00 0.47 C ATOM 718 CE LYS A 47 3.048 9.524 0.588 1.00 0.47 C ATOM 719 NZ LYS A 47 2.513 10.913 0.549 1.00 0.67 N ATOM 720 HA LYS A 47 3.758 4.633 0.386 1.00 0.00 H ATOM 721 HB2 LYS A 47 2.924 6.608 -0.787 1.00 0.00 H ATOM 722 HB3 LYS A 47 3.298 6.954 0.918 1.00 0.00 H ATOM 723 HG2 LYS A 47 5.379 8.029 0.270 1.00 0.00 H ATOM 724 HG3 LYS A 47 5.077 7.628 -1.437 1.00 0.00 H ATOM 725 HD2 LYS A 47 4.547 9.984 -0.859 1.00 0.00 H ATOM 726 HD3 LYS A 47 3.155 9.078 -1.496 1.00 0.00 H ATOM 727 HE2 LYS A 47 3.697 9.422 1.458 1.00 0.00 H ATOM 728 HE3 LYS A 47 2.213 8.829 0.676 1.00 0.00 H ATOM 729 HZ1 LYS A 47 3.303 11.585 0.473 1.00 0.00 H ATOM 730 HZ2 LYS A 47 1.886 11.019 -0.274 1.00 0.00 H ATOM 731 HZ3 LYS A 47 1.978 11.102 1.421 1.00 0.00 H ATOM 732 H LYS A 47 5.842 6.372 1.411 1.00 0.00 H ATOM 733 N GLN A 48 6.241 5.478 -1.588 1.00 0.40 N ATOM 734 CA GLN A 48 6.961 5.082 -2.790 1.00 0.46 C ATOM 735 C GLN A 48 7.251 3.587 -2.797 1.00 0.45 C ATOM 736 O GLN A 48 7.227 2.959 -3.847 1.00 0.50 O ATOM 737 CB GLN A 48 8.269 5.855 -2.940 1.00 0.52 C ATOM 738 CG GLN A 48 8.132 7.143 -3.728 1.00 0.58 C ATOM 739 CD GLN A 48 7.447 6.971 -5.075 1.00 0.67 C ATOM 740 OE1 GLN A 48 6.790 7.886 -5.563 1.00 0.99 O ATOM 741 NE2 GLN A 48 7.584 5.802 -5.686 1.00 0.63 N ATOM 742 HA GLN A 48 6.315 5.320 -3.635 1.00 0.00 H ATOM 743 HB2 GLN A 48 8.641 6.099 -1.945 1.00 0.00 H ATOM 744 HB3 GLN A 48 8.990 5.215 -3.449 1.00 0.00 H ATOM 745 HG2 GLN A 48 7.551 7.849 -3.135 1.00 0.00 H ATOM 746 HG3 GLN A 48 9.129 7.549 -3.899 1.00 0.00 H ATOM 747 HE22 GLN A 48 8.148 5.048 -5.245 1.00 0.00 H ATOM 748 HE21 GLN A 48 7.128 5.640 -6.606 1.00 0.00 H ATOM 749 H GLN A 48 6.677 6.163 -0.938 1.00 0.00 H ATOM 750 N ALA A 49 7.543 3.026 -1.632 1.00 0.42 N ATOM 751 CA ALA A 49 7.738 1.587 -1.509 1.00 0.41 C ATOM 752 C ALA A 49 6.394 0.869 -1.549 1.00 0.39 C ATOM 753 O ALA A 49 6.237 -0.176 -2.184 1.00 0.42 O ATOM 754 CB ALA A 49 8.481 1.261 -0.224 1.00 0.42 C ATOM 755 HA ALA A 49 8.340 1.242 -2.349 1.00 0.00 H ATOM 756 HB1 ALA A 49 9.454 1.752 -0.234 1.00 0.00 H ATOM 757 HB2 ALA A 49 7.902 1.616 0.629 1.00 0.00 H ATOM 758 HB3 ALA A 49 8.618 0.182 -0.149 1.00 0.00 H ATOM 759 H ALA A 49 7.635 3.626 -0.787 1.00 0.00 H ATOM 760 N LEU A 50 5.424 1.470 -0.874 1.00 0.38 N ATOM 761 CA LEU A 50 4.069 0.944 -0.762 1.00 0.40 C ATOM 762 C LEU A 50 3.426 0.718 -2.127 1.00 0.41 C ATOM 763 O LEU A 50 2.784 -0.303 -2.343 1.00 0.43 O ATOM 764 CB LEU A 50 3.212 1.917 0.065 1.00 0.45 C ATOM 765 CG LEU A 50 3.025 1.588 1.549 1.00 0.69 C ATOM 766 CD1 LEU A 50 1.637 1.045 1.827 1.00 1.33 C ATOM 767 CD2 LEU A 50 4.066 0.598 1.999 1.00 1.20 C ATOM 768 HA LEU A 50 4.125 -0.024 -0.265 1.00 0.00 H ATOM 769 HB2 LEU A 50 3.677 2.901 0.002 1.00 0.00 H ATOM 770 HB3 LEU A 50 2.223 1.954 -0.391 1.00 0.00 H ATOM 771 HG LEU A 50 3.143 2.514 2.112 1.00 0.00 H ATOM 772 HD21 LEU A 50 3.971 -0.318 1.416 1.00 0.00 H ATOM 773 HD22 LEU A 50 5.058 1.023 1.850 1.00 0.00 H ATOM 774 HD23 LEU A 50 3.920 0.374 3.056 1.00 0.00 H ATOM 775 HD11 LEU A 50 0.893 1.789 1.542 1.00 0.00 H ATOM 776 HD12 LEU A 50 1.482 0.134 1.249 1.00 0.00 H ATOM 777 HD13 LEU A 50 1.541 0.823 2.890 1.00 0.00 H ATOM 778 H LEU A 50 5.642 2.368 -0.397 1.00 0.00 H ATOM 779 N ARG A 51 3.633 1.638 -3.064 1.00 0.44 N ATOM 780 CA ARG A 51 2.878 1.612 -4.313 1.00 0.50 C ATOM 781 C ARG A 51 3.410 0.513 -5.205 1.00 0.52 C ATOM 782 O ARG A 51 2.683 -0.093 -5.989 1.00 0.59 O ATOM 783 CB ARG A 51 2.971 2.962 -5.022 1.00 0.53 C ATOM 784 CG ARG A 51 4.376 3.529 -5.032 1.00 0.52 C ATOM 785 CD ARG A 51 4.508 4.714 -5.961 1.00 0.73 C ATOM 786 NE ARG A 51 3.566 5.791 -5.655 1.00 1.21 N ATOM 787 CZ ARG A 51 3.508 6.939 -6.333 1.00 1.63 C ATOM 788 NH1 ARG A 51 4.308 7.139 -7.378 1.00 1.96 N ATOM 789 NH2 ARG A 51 2.651 7.883 -5.964 1.00 2.17 N ATOM 790 HA ARG A 51 1.830 1.415 -4.089 1.00 0.00 H ATOM 791 HB2 ARG A 51 2.639 2.837 -6.053 1.00 0.00 H ATOM 792 HB3 ARG A 51 2.315 3.668 -4.513 1.00 0.00 H ATOM 793 HG2 ARG A 51 4.634 3.845 -4.021 1.00 0.00 H ATOM 794 HG3 ARG A 51 5.067 2.750 -5.356 1.00 0.00 H ATOM 795 HD2 ARG A 51 4.330 4.376 -6.982 1.00 0.00 H ATOM 796 HD3 ARG A 51 5.522 5.106 -5.881 1.00 0.00 H ATOM 797 HE ARG A 51 2.904 5.654 -4.864 1.00 0.00 H ATOM 798 HH12 ARG A 51 4.261 8.034 -7.905 1.00 0.00 H ATOM 799 HH11 ARG A 51 4.980 6.400 -7.667 1.00 0.00 H ATOM 800 HH22 ARG A 51 2.605 8.778 -6.491 1.00 0.00 H ATOM 801 HH21 ARG A 51 2.026 7.727 -5.148 1.00 0.00 H ATOM 802 H ARG A 51 4.340 2.384 -2.906 1.00 0.00 H ATOM 803 N GLU A 52 4.688 0.255 -5.041 1.00 0.49 N ATOM 804 CA GLU A 52 5.381 -0.768 -5.786 1.00 0.54 C ATOM 805 C GLU A 52 4.957 -2.141 -5.294 1.00 0.53 C ATOM 806 O GLU A 52 4.609 -3.021 -6.080 1.00 0.58 O ATOM 807 CB GLU A 52 6.871 -0.559 -5.588 1.00 0.59 C ATOM 808 CG GLU A 52 7.277 0.885 -5.820 1.00 0.63 C ATOM 809 CD GLU A 52 7.207 1.275 -7.281 1.00 0.87 C ATOM 810 OE1 GLU A 52 7.814 0.576 -8.117 1.00 1.10 O ATOM 811 OE2 GLU A 52 6.541 2.282 -7.599 1.00 1.07 O ATOM 812 HA GLU A 52 5.138 -0.705 -6.847 1.00 0.00 H ATOM 813 HB2 GLU A 52 7.134 -0.840 -4.568 1.00 0.00 H ATOM 814 HB3 GLU A 52 7.412 -1.194 -6.289 1.00 0.00 H ATOM 815 HG2 GLU A 52 6.609 1.533 -5.252 1.00 0.00 H ATOM 816 HG3 GLU A 52 8.300 1.022 -5.469 1.00 0.00 H ATOM 817 H GLU A 52 5.223 0.812 -4.344 1.00 0.00 H ATOM 818 N ALA A 53 4.972 -2.307 -3.979 1.00 0.49 N ATOM 819 CA ALA A 53 4.518 -3.539 -3.362 1.00 0.48 C ATOM 820 C ALA A 53 3.023 -3.730 -3.596 1.00 0.49 C ATOM 821 O ALA A 53 2.553 -4.849 -3.807 1.00 0.53 O ATOM 822 CB ALA A 53 4.837 -3.525 -1.878 1.00 0.45 C ATOM 823 HA ALA A 53 5.042 -4.379 -3.819 1.00 0.00 H ATOM 824 HB1 ALA A 53 5.914 -3.430 -1.740 1.00 0.00 H ATOM 825 HB2 ALA A 53 4.333 -2.681 -1.407 1.00 0.00 H ATOM 826 HB3 ALA A 53 4.492 -4.454 -1.425 1.00 0.00 H ATOM 827 H ALA A 53 5.318 -1.535 -3.374 1.00 0.00 H ATOM 828 N GLY A 54 2.284 -2.625 -3.564 1.00 0.49 N ATOM 829 CA GLY A 54 0.861 -2.664 -3.837 1.00 0.53 C ATOM 830 C GLY A 54 0.572 -3.147 -5.240 1.00 0.60 C ATOM 831 O GLY A 54 -0.335 -3.951 -5.447 1.00 0.70 O ATOM 832 HA3 GLY A 54 0.451 -1.661 -3.717 1.00 0.00 H ATOM 833 HA2 GLY A 54 0.383 -3.338 -3.126 1.00 0.00 H ATOM 834 H GLY A 54 2.736 -1.716 -3.339 1.00 0.00 H ATOM 835 N ASP A 55 1.357 -2.662 -6.198 1.00 0.61 N ATOM 836 CA ASP A 55 1.256 -3.105 -7.588 1.00 0.69 C ATOM 837 C ASP A 55 1.482 -4.607 -7.687 1.00 0.70 C ATOM 838 O ASP A 55 0.760 -5.312 -8.393 1.00 0.79 O ATOM 839 CB ASP A 55 2.283 -2.375 -8.452 1.00 0.73 C ATOM 840 CG ASP A 55 2.298 -2.871 -9.884 1.00 0.85 C ATOM 841 OD1 ASP A 55 1.383 -2.512 -10.653 1.00 1.04 O ATOM 842 OD2 ASP A 55 3.233 -3.620 -10.250 1.00 0.82 O ATOM 843 HA ASP A 55 0.254 -2.873 -7.948 1.00 0.00 H ATOM 844 HB2 ASP A 55 2.046 -1.311 -8.453 1.00 0.00 H ATOM 845 HB3 ASP A 55 3.273 -2.525 -8.020 1.00 0.00 H ATOM 846 H ASP A 55 2.067 -1.943 -5.950 1.00 0.00 H ATOM 847 N GLU A 56 2.484 -5.083 -6.952 1.00 0.66 N ATOM 848 CA GLU A 56 2.800 -6.507 -6.880 1.00 0.74 C ATOM 849 C GLU A 56 1.601 -7.315 -6.397 1.00 0.77 C ATOM 850 O GLU A 56 1.467 -8.497 -6.698 1.00 0.88 O ATOM 851 CB GLU A 56 3.985 -6.743 -5.944 1.00 0.79 C ATOM 852 CG GLU A 56 5.294 -6.160 -6.444 1.00 1.24 C ATOM 853 CD GLU A 56 5.853 -6.906 -7.636 1.00 1.52 C ATOM 854 OE1 GLU A 56 6.062 -8.135 -7.531 1.00 1.43 O ATOM 855 OE2 GLU A 56 6.078 -6.267 -8.683 1.00 2.29 O ATOM 856 HA GLU A 56 3.060 -6.839 -7.885 1.00 0.00 H ATOM 857 HB2 GLU A 56 3.755 -6.291 -4.979 1.00 0.00 H ATOM 858 HB3 GLU A 56 4.114 -7.818 -5.819 1.00 0.00 H ATOM 859 HG2 GLU A 56 5.126 -5.122 -6.730 1.00 0.00 H ATOM 860 HG3 GLU A 56 6.024 -6.199 -5.635 1.00 0.00 H ATOM 861 H GLU A 56 3.065 -4.414 -6.407 1.00 0.00 H ATOM 862 N PHE A 57 0.755 -6.686 -5.612 1.00 0.71 N ATOM 863 CA PHE A 57 -0.440 -7.344 -5.118 1.00 0.75 C ATOM 864 C PHE A 57 -1.558 -7.303 -6.160 1.00 0.78 C ATOM 865 O PHE A 57 -2.263 -8.294 -6.360 1.00 0.91 O ATOM 866 CB PHE A 57 -0.906 -6.706 -3.809 1.00 0.76 C ATOM 867 CG PHE A 57 -1.994 -7.486 -3.123 1.00 1.09 C ATOM 868 CD1 PHE A 57 -1.860 -8.846 -2.905 1.00 1.37 C ATOM 869 CD2 PHE A 57 -3.154 -6.856 -2.698 1.00 1.71 C ATOM 870 CE1 PHE A 57 -2.859 -9.565 -2.275 1.00 1.79 C ATOM 871 CE2 PHE A 57 -4.157 -7.569 -2.068 1.00 2.29 C ATOM 872 CZ PHE A 57 -4.000 -8.934 -1.853 1.00 2.20 C ATOM 873 HA PHE A 57 -0.193 -8.388 -4.925 1.00 0.00 H ATOM 874 HB2 PHE A 57 -0.052 -6.635 -3.135 1.00 0.00 H ATOM 875 HB3 PHE A 57 -1.280 -5.705 -4.025 1.00 0.00 H ATOM 876 HD2 PHE A 57 -3.276 -5.785 -2.863 1.00 0.00 H ATOM 877 HE2 PHE A 57 -5.066 -7.064 -1.742 1.00 0.00 H ATOM 878 HZ PHE A 57 -4.783 -9.501 -1.350 1.00 0.00 H ATOM 879 HE1 PHE A 57 -2.739 -10.636 -2.114 1.00 0.00 H ATOM 880 HD1 PHE A 57 -0.955 -9.357 -3.234 1.00 0.00 H ATOM 881 H PHE A 57 0.945 -5.700 -5.340 1.00 0.00 H ATOM 882 N GLU A 58 -1.675 -6.170 -6.851 1.00 0.73 N ATOM 883 CA GLU A 58 -2.833 -5.893 -7.703 1.00 0.82 C ATOM 884 C GLU A 58 -2.985 -6.912 -8.810 1.00 0.82 C ATOM 885 O GLU A 58 -3.976 -7.638 -8.857 1.00 0.89 O ATOM 886 CB GLU A 58 -2.737 -4.506 -8.320 1.00 0.86 C ATOM 887 CG GLU A 58 -2.684 -3.396 -7.301 1.00 0.91 C ATOM 888 CD GLU A 58 -2.790 -2.034 -7.940 1.00 0.93 C ATOM 889 OE1 GLU A 58 -3.918 -1.544 -8.141 1.00 1.30 O ATOM 890 OE2 GLU A 58 -1.738 -1.430 -8.237 1.00 1.24 O ATOM 891 HA GLU A 58 -3.709 -5.950 -7.057 1.00 0.00 H ATOM 892 HB2 GLU A 58 -1.833 -4.460 -8.928 1.00 0.00 H ATOM 893 HB3 GLU A 58 -3.609 -4.350 -8.955 1.00 0.00 H ATOM 894 HG2 GLU A 58 -3.510 -3.521 -6.601 1.00 0.00 H ATOM 895 HG3 GLU A 58 -1.739 -3.459 -6.761 1.00 0.00 H ATOM 896 H GLU A 58 -0.919 -5.459 -6.783 1.00 0.00 H ATOM 897 N LEU A 59 -2.001 -6.954 -9.696 1.00 0.81 N ATOM 898 CA LEU A 59 -2.024 -7.860 -10.837 1.00 0.87 C ATOM 899 C LEU A 59 -2.347 -9.294 -10.432 1.00 0.85 C ATOM 900 O LEU A 59 -3.055 -10.005 -11.142 1.00 0.96 O ATOM 901 CB LEU A 59 -0.693 -7.824 -11.596 1.00 0.96 C ATOM 902 CG LEU A 59 0.582 -7.508 -10.796 1.00 1.06 C ATOM 903 CD1 LEU A 59 0.676 -8.309 -9.524 1.00 1.54 C ATOM 904 CD2 LEU A 59 1.784 -7.835 -11.629 1.00 1.46 C ATOM 905 HA LEU A 59 -2.821 -7.510 -11.493 1.00 0.00 H ATOM 906 HB2 LEU A 59 -0.554 -8.803 -12.056 1.00 0.00 H ATOM 907 HB3 LEU A 59 -0.784 -7.067 -12.375 1.00 0.00 H ATOM 908 HG LEU A 59 0.543 -6.449 -10.540 1.00 0.00 H ATOM 909 HD21 LEU A 59 1.768 -8.894 -11.888 1.00 0.00 H ATOM 910 HD22 LEU A 59 1.767 -7.237 -12.540 1.00 0.00 H ATOM 911 HD23 LEU A 59 2.688 -7.611 -11.063 1.00 0.00 H ATOM 912 HD11 LEU A 59 -0.183 -8.086 -8.891 1.00 0.00 H ATOM 913 HD12 LEU A 59 0.684 -9.372 -9.765 1.00 0.00 H ATOM 914 HD13 LEU A 59 1.594 -8.047 -8.998 1.00 0.00 H ATOM 915 H LEU A 59 -1.186 -6.320 -9.573 1.00 0.00 H ATOM 916 N ARG A 60 -1.833 -9.706 -9.286 1.00 0.83 N ATOM 917 CA ARG A 60 -2.017 -11.062 -8.812 1.00 0.90 C ATOM 918 C ARG A 60 -3.493 -11.372 -8.538 1.00 0.98 C ATOM 919 O ARG A 60 -3.986 -12.431 -8.923 1.00 1.15 O ATOM 920 CB ARG A 60 -1.173 -11.316 -7.559 1.00 1.03 C ATOM 921 CG ARG A 60 0.316 -11.440 -7.851 1.00 1.00 C ATOM 922 CD ARG A 60 1.135 -11.590 -6.579 1.00 1.07 C ATOM 923 NE ARG A 60 2.549 -11.834 -6.868 1.00 1.41 N ATOM 924 CZ ARG A 60 3.557 -11.152 -6.323 1.00 1.94 C ATOM 925 NH1 ARG A 60 3.321 -10.156 -5.482 1.00 2.43 N ATOM 926 NH2 ARG A 60 4.810 -11.456 -6.635 1.00 2.58 N ATOM 927 HA ARG A 60 -1.681 -11.733 -9.602 1.00 0.00 H ATOM 928 HB2 ARG A 60 -1.322 -10.487 -6.867 1.00 0.00 H ATOM 929 HB3 ARG A 60 -1.513 -12.241 -7.094 1.00 0.00 H ATOM 930 HG2 ARG A 60 0.480 -12.315 -8.481 1.00 0.00 H ATOM 931 HG3 ARG A 60 0.647 -10.546 -8.380 1.00 0.00 H ATOM 932 HD2 ARG A 60 0.743 -12.428 -6.003 1.00 0.00 H ATOM 933 HD3 ARG A 60 1.047 -10.675 -5.993 1.00 0.00 H ATOM 934 HE ARG A 60 2.783 -12.589 -7.543 1.00 0.00 H ATOM 935 HH12 ARG A 60 4.114 -9.631 -5.063 1.00 0.00 H ATOM 936 HH11 ARG A 60 2.342 -9.900 -5.241 1.00 0.00 H ATOM 937 HH22 ARG A 60 5.596 -10.924 -6.210 1.00 0.00 H ATOM 938 HH21 ARG A 60 5.007 -12.227 -7.305 1.00 0.00 H ATOM 939 H ARG A 60 -1.282 -9.039 -8.709 1.00 0.00 H ATOM 940 N TYR A 61 -4.205 -10.453 -7.882 1.00 1.04 N ATOM 941 CA TYR A 61 -5.616 -10.685 -7.570 1.00 1.26 C ATOM 942 C TYR A 61 -6.528 -10.158 -8.676 1.00 1.32 C ATOM 943 O TYR A 61 -7.734 -10.398 -8.656 1.00 1.59 O ATOM 944 CB TYR A 61 -6.017 -10.066 -6.215 1.00 1.52 C ATOM 945 CG TYR A 61 -5.988 -8.545 -6.146 1.00 2.19 C ATOM 946 CD1 TYR A 61 -6.904 -7.789 -6.859 1.00 2.84 C ATOM 947 CD2 TYR A 61 -5.035 -7.867 -5.391 1.00 2.70 C ATOM 948 CE1 TYR A 61 -6.877 -6.408 -6.820 1.00 3.86 C ATOM 949 CE2 TYR A 61 -5.007 -6.485 -5.344 1.00 3.67 C ATOM 950 CZ TYR A 61 -5.936 -5.765 -5.977 1.00 4.23 C ATOM 951 OH TYR A 61 -5.909 -4.386 -6.024 1.00 5.32 O ATOM 952 HA TYR A 61 -5.744 -11.765 -7.500 1.00 0.00 H ATOM 953 HB3 TYR A 61 -5.333 -10.448 -5.457 1.00 0.00 H ATOM 954 HB2 TYR A 61 -7.031 -10.392 -5.985 1.00 0.00 H ATOM 955 HD2 TYR A 61 -4.297 -8.436 -4.826 1.00 0.00 H ATOM 956 HE2 TYR A 61 -4.220 -5.979 -4.785 1.00 0.00 H ATOM 957 HE1 TYR A 61 -7.568 -5.823 -7.427 1.00 0.00 H ATOM 958 HD1 TYR A 61 -7.660 -8.293 -7.462 1.00 0.00 H ATOM 959 HH TYR A 61 -6.687 -4.059 -6.541 1.00 0.00 H ATOM 960 H TYR A 61 -3.753 -9.563 -7.590 1.00 0.00 H ATOM 961 N ARG A 62 -5.944 -9.449 -9.637 1.00 1.28 N ATOM 962 CA ARG A 62 -6.708 -8.789 -10.698 1.00 1.39 C ATOM 963 C ARG A 62 -7.548 -9.793 -11.487 1.00 1.07 C ATOM 964 O ARG A 62 -8.582 -9.440 -12.055 1.00 1.30 O ATOM 965 CB ARG A 62 -5.758 -8.029 -11.627 1.00 1.72 C ATOM 966 CG ARG A 62 -6.459 -7.162 -12.659 1.00 2.15 C ATOM 967 CD ARG A 62 -5.463 -6.320 -13.437 1.00 2.51 C ATOM 968 NE ARG A 62 -6.105 -5.516 -14.476 1.00 3.10 N ATOM 969 CZ ARG A 62 -5.541 -4.452 -15.047 1.00 3.59 C ATOM 970 NH1 ARG A 62 -4.371 -4.004 -14.610 1.00 3.59 N ATOM 971 NH2 ARG A 62 -6.162 -3.814 -16.033 1.00 4.48 N ATOM 972 HA ARG A 62 -7.395 -8.080 -10.236 1.00 0.00 H ATOM 973 HB2 ARG A 62 -5.122 -7.388 -11.016 1.00 0.00 H ATOM 974 HB3 ARG A 62 -5.140 -8.756 -12.154 1.00 0.00 H ATOM 975 HG2 ARG A 62 -7.001 -7.804 -13.353 1.00 0.00 H ATOM 976 HG3 ARG A 62 -7.162 -6.502 -12.151 1.00 0.00 H ATOM 977 HD2 ARG A 62 -4.735 -6.982 -13.906 1.00 0.00 H ATOM 978 HD3 ARG A 62 -4.951 -5.653 -12.744 1.00 0.00 H ATOM 979 HE ARG A 62 -7.058 -5.791 -14.788 1.00 0.00 H ATOM 980 HH12 ARG A 62 -3.932 -3.174 -15.057 1.00 0.00 H ATOM 981 HH11 ARG A 62 -3.893 -4.483 -13.821 1.00 0.00 H ATOM 982 HH22 ARG A 62 -5.719 -2.984 -16.476 1.00 0.00 H ATOM 983 HH21 ARG A 62 -7.092 -4.144 -16.362 1.00 0.00 H ATOM 984 H ARG A 62 -4.908 -9.360 -9.635 1.00 0.00 H ATOM 985 N ARG A 63 -7.101 -11.042 -11.502 1.00 0.98 N ATOM 986 CA ARG A 63 -7.852 -12.130 -12.116 1.00 1.19 C ATOM 987 C ARG A 63 -9.258 -12.230 -11.518 1.00 1.20 C ATOM 988 O ARG A 63 -10.244 -12.341 -12.243 1.00 1.45 O ATOM 989 CB ARG A 63 -7.095 -13.450 -11.925 1.00 1.61 C ATOM 990 CG ARG A 63 -7.876 -14.686 -12.346 1.00 2.18 C ATOM 991 CD ARG A 63 -7.026 -15.943 -12.241 1.00 2.52 C ATOM 992 NE ARG A 63 -5.973 -15.977 -13.255 1.00 3.12 N ATOM 993 CZ ARG A 63 -4.899 -16.767 -13.197 1.00 3.84 C ATOM 994 NH1 ARG A 63 -4.701 -17.557 -12.150 1.00 4.07 N ATOM 995 NH2 ARG A 63 -4.017 -16.758 -14.186 1.00 4.72 N ATOM 996 HA ARG A 63 -7.955 -11.926 -13.182 1.00 0.00 H ATOM 997 HB2 ARG A 63 -6.179 -13.407 -12.515 1.00 0.00 H ATOM 998 HB3 ARG A 63 -6.842 -13.549 -10.869 1.00 0.00 H ATOM 999 HG2 ARG A 63 -8.748 -14.792 -11.700 1.00 0.00 H ATOM 1000 HG3 ARG A 63 -8.203 -14.564 -13.379 1.00 0.00 H ATOM 1001 HD2 ARG A 63 -7.668 -16.814 -12.370 1.00 0.00 H ATOM 1002 HD3 ARG A 63 -6.566 -15.976 -11.254 1.00 0.00 H ATOM 1003 HE ARG A 63 -6.067 -15.344 -14.075 1.00 0.00 H ATOM 1004 HH12 ARG A 63 -3.862 -18.170 -12.112 1.00 0.00 H ATOM 1005 HH11 ARG A 63 -5.385 -17.564 -11.367 1.00 0.00 H ATOM 1006 HH22 ARG A 63 -3.180 -17.373 -14.142 1.00 0.00 H ATOM 1007 HH21 ARG A 63 -4.162 -16.136 -15.006 1.00 0.00 H ATOM 1008 H ARG A 63 -6.183 -11.252 -11.060 1.00 0.00 H ATOM 1009 N ALA A 64 -9.342 -12.173 -10.196 1.00 1.07 N ATOM 1010 CA ALA A 64 -10.619 -12.291 -9.502 1.00 1.09 C ATOM 1011 C ALA A 64 -11.267 -10.928 -9.289 1.00 1.08 C ATOM 1012 O ALA A 64 -12.488 -10.811 -9.313 1.00 1.05 O ATOM 1013 CB ALA A 64 -10.427 -12.989 -8.163 1.00 1.17 C ATOM 1014 HA ALA A 64 -11.284 -12.886 -10.128 1.00 0.00 H ATOM 1015 HB1 ALA A 64 -10.017 -13.985 -8.329 1.00 0.00 H ATOM 1016 HB2 ALA A 64 -9.738 -12.410 -7.548 1.00 0.00 H ATOM 1017 HB3 ALA A 64 -11.388 -13.070 -7.656 1.00 0.00 H ATOM 1018 H ALA A 64 -8.474 -12.041 -9.639 1.00 0.00 H ATOM 1019 N PHE A 65 -10.431 -9.908 -9.099 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.867 -8.562 -8.701 1.00 1.22 C ATOM 1021 C PHE A 65 -12.114 -8.073 -9.444 1.00 1.19 C ATOM 1022 O PHE A 65 -13.051 -7.569 -8.826 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.719 -7.570 -8.908 1.00 1.47 C ATOM 1024 CG PHE A 65 -10.120 -6.135 -8.736 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -10.540 -5.666 -7.503 1.00 1.67 C ATOM 1026 CD2 PHE A 65 -10.075 -5.257 -9.804 1.00 1.98 C ATOM 1027 CE1 PHE A 65 -10.908 -4.347 -7.340 1.00 2.44 C ATOM 1028 CE2 PHE A 65 -10.441 -3.938 -9.645 1.00 2.59 C ATOM 1029 CZ PHE A 65 -10.863 -3.482 -8.421 1.00 2.81 C ATOM 1030 HA PHE A 65 -11.141 -8.623 -7.648 1.00 0.00 H ATOM 1031 HB2 PHE A 65 -8.934 -7.797 -8.186 1.00 0.00 H ATOM 1032 HB3 PHE A 65 -9.330 -7.700 -9.918 1.00 0.00 H ATOM 1033 HD2 PHE A 65 -9.747 -5.612 -10.781 1.00 0.00 H ATOM 1034 HE2 PHE A 65 -10.395 -3.255 -10.493 1.00 0.00 H ATOM 1035 HZ PHE A 65 -11.162 -2.441 -8.300 1.00 0.00 H ATOM 1036 HE1 PHE A 65 -11.233 -3.986 -6.364 1.00 0.00 H ATOM 1037 HD1 PHE A 65 -10.580 -6.346 -6.652 1.00 0.00 H ATOM 1038 H PHE A 65 -9.414 -10.073 -9.240 1.00 0.00 H ATOM 1039 N SER A 66 -12.133 -8.230 -10.756 1.00 1.20 N ATOM 1040 CA SER A 66 -13.224 -7.704 -11.568 1.00 1.24 C ATOM 1041 C SER A 66 -14.535 -8.447 -11.300 1.00 1.13 C ATOM 1042 O SER A 66 -15.624 -7.884 -11.444 1.00 1.16 O ATOM 1043 CB SER A 66 -12.840 -7.789 -13.044 1.00 1.45 C ATOM 1044 OG SER A 66 -12.198 -9.022 -13.325 1.00 2.19 O ATOM 1045 HA SER A 66 -13.389 -6.661 -11.297 1.00 0.00 H ATOM 1046 HB2 SER A 66 -12.163 -6.970 -13.286 1.00 0.00 H ATOM 1047 HB3 SER A 66 -13.740 -7.707 -13.653 1.00 0.00 H ATOM 1048 HG SER A 66 -11.958 -9.057 -14.285 1.00 0.00 H ATOM 1049 H SER A 66 -11.353 -8.739 -11.219 1.00 0.00 H ATOM 1050 N ASP A 67 -14.419 -9.700 -10.891 1.00 1.09 N ATOM 1051 CA ASP A 67 -15.577 -10.537 -10.609 1.00 1.08 C ATOM 1052 C ASP A 67 -16.006 -10.426 -9.152 1.00 0.97 C ATOM 1053 O ASP A 67 -17.187 -10.570 -8.828 1.00 1.01 O ATOM 1054 CB ASP A 67 -15.265 -12.001 -10.928 1.00 1.18 C ATOM 1055 CG ASP A 67 -15.434 -12.336 -12.392 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -14.542 -11.981 -13.191 1.00 2.72 O ATOM 1057 OD2 ASP A 67 -16.463 -12.941 -12.760 1.00 2.06 O ATOM 1058 HA ASP A 67 -16.393 -10.185 -11.240 1.00 0.00 H ATOM 1059 HB2 ASP A 67 -14.234 -12.207 -10.641 1.00 0.00 H ATOM 1060 HB3 ASP A 67 -15.936 -12.634 -10.347 1.00 0.00 H ATOM 1061 H ASP A 67 -13.468 -10.101 -10.767 1.00 0.00 H ATOM 1062 N LEU A 68 -15.046 -10.152 -8.274 1.00 0.89 N ATOM 1063 CA LEU A 68 -15.282 -10.205 -6.835 1.00 0.85 C ATOM 1064 C LEU A 68 -16.254 -9.135 -6.354 1.00 0.76 C ATOM 1065 O LEU A 68 -16.810 -9.265 -5.269 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.975 -10.081 -6.061 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.901 -11.101 -6.422 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -11.692 -10.909 -5.540 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -13.427 -12.517 -6.297 1.00 1.56 C ATOM 1070 HA LEU A 68 -15.734 -11.178 -6.642 1.00 0.00 H ATOM 1071 HB2 LEU A 68 -13.569 -9.086 -6.244 1.00 0.00 H ATOM 1072 HB3 LEU A 68 -14.200 -10.191 -5.000 1.00 0.00 H ATOM 1073 HG LEU A 68 -12.613 -10.942 -7.461 1.00 0.00 H ATOM 1074 HD21 LEU A 68 -13.746 -12.695 -5.270 1.00 0.00 H ATOM 1075 HD22 LEU A 68 -14.274 -12.649 -6.970 1.00 0.00 H ATOM 1076 HD23 LEU A 68 -12.638 -13.221 -6.561 1.00 0.00 H ATOM 1077 HD11 LEU A 68 -11.296 -9.904 -5.683 1.00 0.00 H ATOM 1078 HD12 LEU A 68 -11.980 -11.043 -4.497 1.00 0.00 H ATOM 1079 HD13 LEU A 68 -10.930 -11.642 -5.805 1.00 0.00 H ATOM 1080 H LEU A 68 -14.101 -9.893 -8.622 1.00 0.00 H ATOM 1081 N THR A 69 -16.481 -8.099 -7.152 1.00 0.70 N ATOM 1082 CA THR A 69 -17.348 -6.999 -6.734 1.00 0.62 C ATOM 1083 C THR A 69 -18.761 -7.499 -6.468 1.00 0.63 C ATOM 1084 O THR A 69 -19.517 -6.908 -5.694 1.00 0.60 O ATOM 1085 CB THR A 69 -17.395 -5.882 -7.788 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.526 -6.453 -9.096 1.00 0.69 O ATOM 1087 CG2 THR A 69 -16.151 -5.024 -7.723 1.00 0.63 C ATOM 1088 HA THR A 69 -16.927 -6.591 -5.815 1.00 0.00 H ATOM 1089 HB THR A 69 -18.258 -5.250 -7.580 1.00 0.00 H ATOM 1090 HG1 THR A 69 -16.751 -7.042 -9.277 1.00 0.00 H ATOM 1091 HG23 THR A 69 -16.059 -4.594 -6.726 1.00 0.00 H ATOM 1092 HG21 THR A 69 -15.276 -5.638 -7.937 1.00 0.00 H ATOM 1093 HG22 THR A 69 -16.224 -4.224 -8.460 1.00 0.00 H ATOM 1094 H THR A 69 -16.034 -8.069 -8.091 1.00 0.00 H ATOM 1095 N SER A 70 -19.089 -8.606 -7.112 1.00 0.72 N ATOM 1096 CA SER A 70 -20.356 -9.276 -6.922 1.00 0.80 C ATOM 1097 C SER A 70 -20.373 -10.020 -5.588 1.00 0.76 C ATOM 1098 O SER A 70 -21.416 -10.171 -4.956 1.00 0.76 O ATOM 1099 CB SER A 70 -20.555 -10.257 -8.070 1.00 0.96 C ATOM 1100 OG SER A 70 -20.539 -9.585 -9.320 1.00 1.34 O ATOM 1101 HA SER A 70 -21.163 -8.543 -6.909 1.00 0.00 H ATOM 1102 HB2 SER A 70 -21.514 -10.760 -7.947 1.00 0.00 H ATOM 1103 HB3 SER A 70 -19.754 -10.996 -8.051 1.00 0.00 H ATOM 1104 HG SER A 70 -20.670 -10.242 -10.048 1.00 0.00 H ATOM 1105 H SER A 70 -18.407 -9.012 -7.784 1.00 0.00 H ATOM 1106 N GLN A 71 -19.194 -10.457 -5.163 1.00 0.77 N ATOM 1107 CA GLN A 71 -19.041 -11.233 -3.941 1.00 0.77 C ATOM 1108 C GLN A 71 -19.004 -10.319 -2.733 1.00 0.67 C ATOM 1109 O GLN A 71 -19.710 -10.540 -1.750 1.00 0.74 O ATOM 1110 CB GLN A 71 -17.754 -12.046 -3.990 1.00 0.81 C ATOM 1111 CG GLN A 71 -17.585 -12.833 -5.267 1.00 0.99 C ATOM 1112 CD GLN A 71 -16.461 -13.833 -5.163 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -16.473 -14.878 -5.810 1.00 1.31 O ATOM 1114 NE2 GLN A 71 -15.484 -13.521 -4.331 1.00 1.42 N ATOM 1115 HA GLN A 71 -19.895 -11.906 -3.858 1.00 0.00 H ATOM 1116 HB2 GLN A 71 -16.910 -11.363 -3.892 1.00 0.00 H ATOM 1117 HB3 GLN A 71 -17.755 -12.744 -3.152 1.00 0.00 H ATOM 1118 HG2 GLN A 71 -18.512 -13.365 -5.480 1.00 0.00 H ATOM 1119 HG3 GLN A 71 -17.369 -12.142 -6.082 1.00 0.00 H ATOM 1120 HE22 GLN A 71 -15.516 -12.625 -3.804 1.00 0.00 H ATOM 1121 HE21 GLN A 71 -14.683 -14.171 -4.203 1.00 0.00 H ATOM 1122 H GLN A 71 -18.347 -10.237 -5.725 1.00 0.00 H ATOM 1123 N LEU A 72 -18.165 -9.291 -2.813 1.00 0.59 N ATOM 1124 CA LEU A 72 -18.093 -8.294 -1.761 1.00 0.55 C ATOM 1125 C LEU A 72 -19.404 -7.528 -1.712 1.00 0.47 C ATOM 1126 O LEU A 72 -19.817 -7.051 -0.660 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.933 -7.314 -1.993 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.527 -7.925 -2.045 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.962 -7.843 -3.453 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.597 -7.224 -1.065 1.00 1.35 C ATOM 1131 HA LEU A 72 -17.916 -8.805 -0.814 1.00 0.00 H ATOM 1132 HB2 LEU A 72 -17.111 -6.807 -2.942 1.00 0.00 H ATOM 1133 HB3 LEU A 72 -16.948 -6.584 -1.184 1.00 0.00 H ATOM 1134 HG LEU A 72 -15.603 -8.974 -1.759 1.00 0.00 H ATOM 1135 HD21 LEU A 72 -14.531 -6.167 -1.321 1.00 0.00 H ATOM 1136 HD22 LEU A 72 -14.990 -7.330 -0.054 1.00 0.00 H ATOM 1137 HD23 LEU A 72 -13.606 -7.675 -1.120 1.00 0.00 H ATOM 1138 HD11 LEU A 72 -15.612 -8.390 -4.136 1.00 0.00 H ATOM 1139 HD12 LEU A 72 -14.906 -6.799 -3.760 1.00 0.00 H ATOM 1140 HD13 LEU A 72 -13.964 -8.282 -3.469 1.00 0.00 H ATOM 1141 H LEU A 72 -17.548 -9.200 -3.645 1.00 0.00 H ATOM 1142 N HIS A 73 -20.058 -7.437 -2.867 1.00 0.48 N ATOM 1143 CA HIS A 73 -21.292 -6.678 -3.006 1.00 0.48 C ATOM 1144 C HIS A 73 -20.981 -5.217 -2.756 1.00 0.43 C ATOM 1145 O HIS A 73 -21.547 -4.566 -1.878 1.00 0.52 O ATOM 1146 CB HIS A 73 -22.382 -7.194 -2.053 1.00 0.55 C ATOM 1147 CG HIS A 73 -23.733 -6.582 -2.280 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -24.581 -6.988 -3.287 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -24.381 -5.587 -1.626 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -25.687 -6.271 -3.245 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -25.592 -5.416 -2.248 1.00 2.62 N ATOM 1152 HA HIS A 73 -21.686 -6.801 -4.015 1.00 0.00 H ATOM 1153 HB2 HIS A 73 -22.468 -8.273 -2.183 1.00 0.00 H ATOM 1154 HB3 HIS A 73 -22.074 -6.976 -1.030 1.00 0.00 H ATOM 1155 HD2 HIS A 73 -24.010 -5.028 -0.767 1.00 0.00 H ATOM 1156 HE1 HIS A 73 -26.536 -6.369 -3.921 1.00 0.00 H ATOM 1157 H HIS A 73 -19.674 -7.926 -3.701 1.00 0.00 H ATOM 1158 N ILE A 74 -20.026 -4.741 -3.528 1.00 0.45 N ATOM 1159 CA ILE A 74 -19.547 -3.379 -3.441 1.00 0.41 C ATOM 1160 C ILE A 74 -20.686 -2.396 -3.648 1.00 0.49 C ATOM 1161 O ILE A 74 -21.244 -2.286 -4.744 1.00 0.91 O ATOM 1162 CB ILE A 74 -18.456 -3.149 -4.484 1.00 0.38 C ATOM 1163 CG1 ILE A 74 -17.365 -4.209 -4.328 1.00 0.36 C ATOM 1164 CG2 ILE A 74 -17.875 -1.760 -4.330 1.00 0.44 C ATOM 1165 CD1 ILE A 74 -16.487 -4.013 -3.112 1.00 0.39 C ATOM 1166 HA ILE A 74 -19.132 -3.216 -2.446 1.00 0.00 H ATOM 1167 HB ILE A 74 -18.887 -3.232 -5.482 1.00 0.00 H ATOM 1168 HG12 ILE A 74 -17.844 -5.185 -4.252 1.00 0.00 H ATOM 1169 HG13 ILE A 74 -16.733 -4.184 -5.215 1.00 0.00 H ATOM 1170 HD11 ILE A 74 -15.990 -3.045 -3.177 1.00 0.00 H ATOM 1171 HD12 ILE A 74 -17.101 -4.048 -2.212 1.00 0.00 H ATOM 1172 HD13 ILE A 74 -15.739 -4.805 -3.074 1.00 0.00 H ATOM 1173 HG21 ILE A 74 -18.664 -1.020 -4.467 1.00 0.00 H ATOM 1174 HG22 ILE A 74 -17.446 -1.655 -3.333 1.00 0.00 H ATOM 1175 HG23 ILE A 74 -17.098 -1.607 -5.079 1.00 0.00 H ATOM 1176 H ILE A 74 -19.596 -5.374 -4.233 1.00 0.00 H ATOM 1177 N THR A 75 -21.013 -1.696 -2.581 1.00 0.38 N ATOM 1178 CA THR A 75 -22.205 -0.883 -2.507 1.00 0.40 C ATOM 1179 C THR A 75 -21.915 0.276 -1.524 1.00 0.37 C ATOM 1180 O THR A 75 -20.740 0.521 -1.241 1.00 0.34 O ATOM 1181 CB THR A 75 -23.372 -1.811 -2.046 1.00 0.46 C ATOM 1182 OG1 THR A 75 -24.632 -1.385 -2.583 1.00 0.51 O ATOM 1183 CG2 THR A 75 -23.457 -1.906 -0.526 1.00 0.46 C ATOM 1184 HA THR A 75 -22.492 -0.440 -3.461 1.00 0.00 H ATOM 1185 HB THR A 75 -23.149 -2.804 -2.437 1.00 0.00 H ATOM 1186 HG1 THR A 75 -25.346 -1.995 -2.270 1.00 0.00 H ATOM 1187 HG23 THR A 75 -22.495 -2.230 -0.129 1.00 0.00 H ATOM 1188 HG21 THR A 75 -23.710 -0.928 -0.116 1.00 0.00 H ATOM 1189 HG22 THR A 75 -24.227 -2.627 -0.251 1.00 0.00 H ATOM 1190 H THR A 75 -20.384 -1.730 -1.754 1.00 0.00 H ATOM 1191 N PRO A 76 -22.934 1.054 -1.062 1.00 0.38 N ATOM 1192 CA PRO A 76 -22.850 1.926 0.116 1.00 0.37 C ATOM 1193 C PRO A 76 -21.866 1.457 1.206 1.00 0.35 C ATOM 1194 O PRO A 76 -21.418 0.314 1.205 1.00 0.35 O ATOM 1195 CB PRO A 76 -24.285 1.887 0.645 1.00 0.42 C ATOM 1196 CG PRO A 76 -25.151 1.544 -0.533 1.00 0.47 C ATOM 1197 CD PRO A 76 -24.238 1.246 -1.696 1.00 0.44 C ATOM 1198 HA PRO A 76 -22.469 2.912 -0.151 1.00 0.00 H ATOM 1199 HD3 PRO A 76 -24.554 0.344 -2.220 1.00 0.00 H ATOM 1200 HD2 PRO A 76 -24.213 2.081 -2.396 1.00 0.00 H ATOM 1201 HG3 PRO A 76 -25.800 2.385 -0.775 1.00 0.00 H ATOM 1202 HG2 PRO A 76 -25.761 0.670 -0.305 1.00 0.00 H ATOM 1203 HB2 PRO A 76 -24.382 1.128 1.421 1.00 0.00 H ATOM 1204 HB3 PRO A 76 -24.566 2.859 1.052 1.00 0.00 H ATOM 1205 N GLY A 77 -21.565 2.380 2.132 1.00 0.36 N ATOM 1206 CA GLY A 77 -20.524 2.224 3.164 1.00 0.37 C ATOM 1207 C GLY A 77 -20.310 0.824 3.734 1.00 0.38 C ATOM 1208 O GLY A 77 -19.216 0.519 4.218 1.00 0.40 O ATOM 1209 HA3 GLY A 77 -20.784 2.880 3.995 1.00 0.00 H ATOM 1210 HA2 GLY A 77 -19.579 2.549 2.729 1.00 0.00 H ATOM 1211 H GLY A 77 -22.105 3.269 2.121 1.00 0.00 H ATOM 1212 N THR A 78 -21.318 -0.027 3.680 1.00 0.40 N ATOM 1213 CA THR A 78 -21.211 -1.380 4.198 1.00 0.42 C ATOM 1214 C THR A 78 -20.271 -2.247 3.355 1.00 0.38 C ATOM 1215 O THR A 78 -20.084 -3.433 3.635 1.00 0.40 O ATOM 1216 CB THR A 78 -22.594 -2.034 4.293 1.00 0.49 C ATOM 1217 OG1 THR A 78 -23.266 -1.957 3.027 1.00 0.50 O ATOM 1218 CG2 THR A 78 -23.416 -1.332 5.355 1.00 0.56 C ATOM 1219 HA THR A 78 -20.783 -1.307 5.198 1.00 0.00 H ATOM 1220 HB THR A 78 -22.474 -3.083 4.563 1.00 0.00 H ATOM 1221 HG1 THR A 78 -24.157 -2.382 3.101 1.00 0.00 H ATOM 1222 HG23 THR A 78 -22.900 -1.395 6.313 1.00 0.00 H ATOM 1223 HG21 THR A 78 -23.547 -0.286 5.079 1.00 0.00 H ATOM 1224 HG22 THR A 78 -24.391 -1.812 5.434 1.00 0.00 H ATOM 1225 H THR A 78 -22.215 0.280 3.254 1.00 0.00 H ATOM 1226 N ALA A 79 -19.651 -1.639 2.344 1.00 0.34 N ATOM 1227 CA ALA A 79 -18.627 -2.309 1.557 1.00 0.31 C ATOM 1228 C ALA A 79 -17.361 -2.480 2.388 1.00 0.30 C ATOM 1229 O ALA A 79 -16.467 -3.250 2.039 1.00 0.31 O ATOM 1230 CB ALA A 79 -18.333 -1.527 0.286 1.00 0.32 C ATOM 1231 HA ALA A 79 -18.993 -3.295 1.271 1.00 0.00 H ATOM 1232 HB1 ALA A 79 -19.243 -1.449 -0.310 1.00 0.00 H ATOM 1233 HB2 ALA A 79 -17.982 -0.529 0.548 1.00 0.00 H ATOM 1234 HB3 ALA A 79 -17.565 -2.045 -0.288 1.00 0.00 H ATOM 1235 H ALA A 79 -19.906 -0.658 2.111 1.00 0.00 H ATOM 1236 N TYR A 80 -17.299 -1.766 3.507 1.00 0.33 N ATOM 1237 CA TYR A 80 -16.182 -1.890 4.432 1.00 0.36 C ATOM 1238 C TYR A 80 -16.349 -3.151 5.265 1.00 0.36 C ATOM 1239 O TYR A 80 -15.406 -3.628 5.886 1.00 0.38 O ATOM 1240 CB TYR A 80 -16.080 -0.650 5.326 1.00 0.44 C ATOM 1241 CG TYR A 80 -14.868 -0.653 6.234 1.00 1.15 C ATOM 1242 CD1 TYR A 80 -13.583 -0.594 5.710 1.00 2.21 C ATOM 1243 CD2 TYR A 80 -15.012 -0.700 7.616 1.00 1.69 C ATOM 1244 CE1 TYR A 80 -12.476 -0.583 6.537 1.00 3.13 C ATOM 1245 CE2 TYR A 80 -13.909 -0.690 8.449 1.00 2.52 C ATOM 1246 CZ TYR A 80 -12.641 -0.685 7.899 1.00 3.12 C ATOM 1247 OH TYR A 80 -11.543 -0.618 8.732 1.00 4.13 O ATOM 1248 HA TYR A 80 -15.254 -1.965 3.865 1.00 0.00 H ATOM 1249 HB3 TYR A 80 -16.975 -0.598 5.946 1.00 0.00 H ATOM 1250 HB2 TYR A 80 -16.030 0.232 4.687 1.00 0.00 H ATOM 1251 HD2 TYR A 80 -16.011 -0.745 8.050 1.00 0.00 H ATOM 1252 HE2 TYR A 80 -14.038 -0.686 9.531 1.00 0.00 H ATOM 1253 HE1 TYR A 80 -11.476 -0.494 6.112 1.00 0.00 H ATOM 1254 HD1 TYR A 80 -13.446 -0.556 4.629 1.00 0.00 H ATOM 1255 HH TYR A 80 -10.716 -0.624 8.187 1.00 0.00 H ATOM 1256 H TYR A 80 -18.068 -1.102 3.727 1.00 0.00 H ATOM 1257 N GLN A 81 -17.555 -3.696 5.255 1.00 0.37 N ATOM 1258 CA GLN A 81 -17.817 -4.973 5.894 1.00 0.41 C ATOM 1259 C GLN A 81 -17.543 -6.101 4.914 1.00 0.41 C ATOM 1260 O GLN A 81 -17.284 -7.240 5.294 1.00 0.46 O ATOM 1261 CB GLN A 81 -19.246 -5.025 6.411 1.00 0.45 C ATOM 1262 CG GLN A 81 -19.418 -4.320 7.746 1.00 0.58 C ATOM 1263 CD GLN A 81 -20.868 -4.155 8.133 1.00 0.68 C ATOM 1264 OE1 GLN A 81 -21.460 -5.028 8.765 1.00 1.03 O ATOM 1265 NE2 GLN A 81 -21.444 -3.023 7.773 1.00 0.79 N ATOM 1266 HA GLN A 81 -17.152 -5.091 6.750 1.00 0.00 H ATOM 1267 HB2 GLN A 81 -19.898 -4.549 5.679 1.00 0.00 H ATOM 1268 HB3 GLN A 81 -19.536 -6.069 6.529 1.00 0.00 H ATOM 1269 HG2 GLN A 81 -18.915 -4.904 8.517 1.00 0.00 H ATOM 1270 HG3 GLN A 81 -18.959 -3.333 7.682 1.00 0.00 H ATOM 1271 HE22 GLN A 81 -20.905 -2.312 7.239 1.00 0.00 H ATOM 1272 HE21 GLN A 81 -22.437 -2.842 8.024 1.00 0.00 H ATOM 1273 H GLN A 81 -18.333 -3.198 4.778 1.00 0.00 H ATOM 1274 N SER A 82 -17.598 -5.753 3.652 1.00 0.39 N ATOM 1275 CA SER A 82 -17.177 -6.635 2.576 1.00 0.41 C ATOM 1276 C SER A 82 -15.655 -6.743 2.579 1.00 0.41 C ATOM 1277 O SER A 82 -15.083 -7.830 2.539 1.00 0.48 O ATOM 1278 CB SER A 82 -17.660 -6.056 1.253 1.00 0.41 C ATOM 1279 OG SER A 82 -19.016 -5.651 1.357 1.00 0.43 O ATOM 1280 HA SER A 82 -17.601 -7.630 2.713 1.00 0.00 H ATOM 1281 HB2 SER A 82 -17.570 -6.814 0.475 1.00 0.00 H ATOM 1282 HB3 SER A 82 -17.046 -5.194 0.992 1.00 0.00 H ATOM 1283 HG SER A 82 -19.315 -5.277 0.490 1.00 0.00 H ATOM 1284 H SER A 82 -17.957 -4.807 3.410 1.00 0.00 H ATOM 1285 N PHE A 83 -15.012 -5.588 2.643 1.00 0.38 N ATOM 1286 CA PHE A 83 -13.567 -5.500 2.786 1.00 0.37 C ATOM 1287 C PHE A 83 -13.151 -5.943 4.190 1.00 0.38 C ATOM 1288 O PHE A 83 -11.981 -6.209 4.457 1.00 0.39 O ATOM 1289 CB PHE A 83 -13.106 -4.068 2.475 1.00 0.36 C ATOM 1290 CG PHE A 83 -11.625 -3.847 2.610 1.00 0.56 C ATOM 1291 CD1 PHE A 83 -10.745 -4.376 1.682 1.00 0.79 C ATOM 1292 CD2 PHE A 83 -11.116 -3.110 3.667 1.00 0.75 C ATOM 1293 CE1 PHE A 83 -9.385 -4.174 1.804 1.00 1.07 C ATOM 1294 CE2 PHE A 83 -9.758 -2.904 3.796 1.00 1.05 C ATOM 1295 CZ PHE A 83 -8.890 -3.443 2.858 1.00 1.18 C ATOM 1296 HA PHE A 83 -13.082 -6.170 2.076 1.00 0.00 H ATOM 1297 HB2 PHE A 83 -13.394 -3.832 1.450 1.00 0.00 H ATOM 1298 HB3 PHE A 83 -13.616 -3.390 3.159 1.00 0.00 H ATOM 1299 HD2 PHE A 83 -11.797 -2.688 4.406 1.00 0.00 H ATOM 1300 HE2 PHE A 83 -9.369 -2.321 4.631 1.00 0.00 H ATOM 1301 HZ PHE A 83 -7.816 -3.287 2.956 1.00 0.00 H ATOM 1302 HE1 PHE A 83 -8.703 -4.594 1.065 1.00 0.00 H ATOM 1303 HD1 PHE A 83 -11.130 -4.959 0.845 1.00 0.00 H ATOM 1304 H PHE A 83 -15.562 -4.707 2.589 1.00 0.00 H ATOM 1305 N GLU A 84 -14.114 -6.006 5.091 1.00 0.41 N ATOM 1306 CA GLU A 84 -13.865 -6.508 6.431 1.00 0.48 C ATOM 1307 C GLU A 84 -13.481 -7.974 6.380 1.00 0.52 C ATOM 1308 O GLU A 84 -12.506 -8.397 6.994 1.00 0.55 O ATOM 1309 CB GLU A 84 -15.100 -6.367 7.299 1.00 0.55 C ATOM 1310 CG GLU A 84 -14.904 -6.916 8.692 1.00 0.62 C ATOM 1311 CD GLU A 84 -16.077 -6.645 9.605 1.00 0.71 C ATOM 1312 OE1 GLU A 84 -17.083 -7.377 9.521 1.00 0.78 O ATOM 1313 OE2 GLU A 84 -16.004 -5.682 10.402 1.00 0.80 O ATOM 1314 HA GLU A 84 -13.051 -5.921 6.857 1.00 0.00 H ATOM 1315 HB2 GLU A 84 -15.354 -5.310 7.374 1.00 0.00 H ATOM 1316 HB3 GLU A 84 -15.922 -6.904 6.825 1.00 0.00 H ATOM 1317 HG2 GLU A 84 -14.759 -7.994 8.623 1.00 0.00 H ATOM 1318 HG3 GLU A 84 -14.014 -6.458 9.124 1.00 0.00 H ATOM 1319 H GLU A 84 -15.071 -5.689 4.836 1.00 0.00 H ATOM 1320 N GLN A 85 -14.287 -8.727 5.653 1.00 0.57 N ATOM 1321 CA GLN A 85 -14.086 -10.164 5.441 1.00 0.65 C ATOM 1322 C GLN A 85 -12.637 -10.480 5.162 1.00 0.64 C ATOM 1323 O GLN A 85 -12.054 -11.417 5.710 1.00 0.71 O ATOM 1324 CB GLN A 85 -14.904 -10.612 4.237 1.00 0.69 C ATOM 1325 CG GLN A 85 -16.333 -10.137 4.279 1.00 0.79 C ATOM 1326 CD GLN A 85 -17.128 -10.541 3.055 1.00 1.13 C ATOM 1327 OE1 GLN A 85 -16.579 -10.703 1.964 1.00 1.44 O ATOM 1328 NE2 GLN A 85 -18.429 -10.705 3.226 1.00 1.62 N ATOM 1329 HA GLN A 85 -14.398 -10.684 6.347 1.00 0.00 H ATOM 1330 HB2 GLN A 85 -14.435 -10.220 3.334 1.00 0.00 H ATOM 1331 HB3 GLN A 85 -14.902 -11.701 4.203 1.00 0.00 H ATOM 1332 HG2 GLN A 85 -16.814 -10.560 5.161 1.00 0.00 H ATOM 1333 HG3 GLN A 85 -16.336 -9.049 4.352 1.00 0.00 H ATOM 1334 HE22 GLN A 85 -18.853 -10.558 4.164 1.00 0.00 H ATOM 1335 HE21 GLN A 85 -19.028 -10.981 2.422 1.00 0.00 H ATOM 1336 H GLN A 85 -15.110 -8.275 5.206 1.00 0.00 H ATOM 1337 N VAL A 86 -12.074 -9.666 4.311 1.00 0.58 N ATOM 1338 CA VAL A 86 -10.755 -9.882 3.795 1.00 0.62 C ATOM 1339 C VAL A 86 -9.691 -9.305 4.708 1.00 0.55 C ATOM 1340 O VAL A 86 -8.692 -9.961 4.992 1.00 0.59 O ATOM 1341 CB VAL A 86 -10.657 -9.303 2.393 1.00 0.70 C ATOM 1342 CG1 VAL A 86 -11.401 -8.013 2.314 1.00 1.13 C ATOM 1343 CG2 VAL A 86 -9.218 -9.157 1.953 1.00 1.30 C ATOM 1344 HA VAL A 86 -10.573 -10.956 3.748 1.00 0.00 H ATOM 1345 HB VAL A 86 -11.124 -10.001 1.698 1.00 0.00 H ATOM 1346 HG11 VAL A 86 -12.450 -8.184 2.557 1.00 0.00 H ATOM 1347 HG12 VAL A 86 -10.974 -7.304 3.023 1.00 0.00 H ATOM 1348 HG13 VAL A 86 -11.322 -7.611 1.304 1.00 0.00 H ATOM 1349 HG21 VAL A 86 -8.695 -8.491 2.639 1.00 0.00 H ATOM 1350 HG22 VAL A 86 -8.737 -10.135 1.957 1.00 0.00 H ATOM 1351 HG23 VAL A 86 -9.188 -8.740 0.946 1.00 0.00 H ATOM 1352 H VAL A 86 -12.603 -8.828 3.995 1.00 0.00 H ATOM 1353 N VAL A 87 -9.922 -8.091 5.185 1.00 0.51 N ATOM 1354 CA VAL A 87 -8.984 -7.448 6.107 1.00 0.51 C ATOM 1355 C VAL A 87 -8.878 -8.264 7.392 1.00 0.56 C ATOM 1356 O VAL A 87 -7.885 -8.213 8.116 1.00 0.60 O ATOM 1357 CB VAL A 87 -9.399 -5.997 6.446 1.00 0.54 C ATOM 1358 CG1 VAL A 87 -10.614 -5.950 7.360 1.00 0.75 C ATOM 1359 CG2 VAL A 87 -8.239 -5.251 7.071 1.00 0.85 C ATOM 1360 HA VAL A 87 -8.015 -7.407 5.609 1.00 0.00 H ATOM 1361 HB VAL A 87 -9.676 -5.509 5.511 1.00 0.00 H ATOM 1362 HG11 VAL A 87 -11.455 -6.439 6.869 1.00 0.00 H ATOM 1363 HG12 VAL A 87 -10.386 -6.466 8.293 1.00 0.00 H ATOM 1364 HG13 VAL A 87 -10.869 -4.911 7.571 1.00 0.00 H ATOM 1365 HG21 VAL A 87 -7.934 -5.758 7.987 1.00 0.00 H ATOM 1366 HG22 VAL A 87 -7.404 -5.229 6.371 1.00 0.00 H ATOM 1367 HG23 VAL A 87 -8.547 -4.232 7.304 1.00 0.00 H ATOM 1368 H VAL A 87 -10.785 -7.586 4.899 1.00 0.00 H ATOM 1369 N ASN A 88 -9.923 -9.029 7.638 1.00 0.61 N ATOM 1370 CA ASN A 88 -9.992 -9.934 8.772 1.00 0.71 C ATOM 1371 C ASN A 88 -8.946 -11.034 8.654 1.00 0.78 C ATOM 1372 O ASN A 88 -8.189 -11.292 9.591 1.00 0.91 O ATOM 1373 CB ASN A 88 -11.391 -10.529 8.839 1.00 0.73 C ATOM 1374 CG ASN A 88 -12.176 -10.023 10.024 1.00 0.78 C ATOM 1375 OD1 ASN A 88 -12.187 -10.643 11.086 1.00 0.87 O ATOM 1376 ND2 ASN A 88 -12.830 -8.888 9.857 1.00 0.73 N ATOM 1377 HA ASN A 88 -9.784 -9.382 9.689 1.00 0.00 H ATOM 1378 HB2 ASN A 88 -11.927 -10.268 7.927 1.00 0.00 H ATOM 1379 HB3 ASN A 88 -11.307 -11.613 8.912 1.00 0.00 H ATOM 1380 HD22 ASN A 88 -12.793 -8.397 8.941 1.00 0.00 H ATOM 1381 HD21 ASN A 88 -13.382 -8.486 10.641 1.00 0.00 H ATOM 1382 H ASN A 88 -10.735 -8.982 6.990 1.00 0.00 H ATOM 1383 N GLU A 89 -8.886 -11.653 7.484 1.00 0.75 N ATOM 1384 CA GLU A 89 -7.923 -12.704 7.215 1.00 0.84 C ATOM 1385 C GLU A 89 -6.555 -12.102 7.159 1.00 0.82 C ATOM 1386 O GLU A 89 -5.581 -12.623 7.704 1.00 0.98 O ATOM 1387 CB GLU A 89 -8.187 -13.306 5.856 1.00 0.87 C ATOM 1388 CG GLU A 89 -9.580 -13.813 5.651 1.00 1.25 C ATOM 1389 CD GLU A 89 -9.958 -14.921 6.599 1.00 2.21 C ATOM 1390 OE1 GLU A 89 -10.240 -14.621 7.774 1.00 2.58 O ATOM 1391 OE2 GLU A 89 -9.960 -16.094 6.177 1.00 2.87 O ATOM 1392 HA GLU A 89 -8.002 -13.460 7.996 1.00 0.00 H ATOM 1393 HB2 GLU A 89 -7.990 -12.543 5.103 1.00 0.00 H ATOM 1394 HB3 GLU A 89 -7.499 -14.140 5.715 1.00 0.00 H ATOM 1395 HG2 GLU A 89 -10.274 -12.985 5.793 1.00 0.00 H ATOM 1396 HG3 GLU A 89 -9.666 -14.186 4.631 1.00 0.00 H ATOM 1397 H GLU A 89 -9.551 -11.376 6.734 1.00 0.00 H ATOM 1398 N LEU A 90 -6.532 -10.977 6.478 1.00 0.69 N ATOM 1399 CA LEU A 90 -5.341 -10.269 6.153 1.00 0.64 C ATOM 1400 C LEU A 90 -4.512 -9.957 7.406 1.00 0.70 C ATOM 1401 O LEU A 90 -3.298 -9.823 7.339 1.00 0.80 O ATOM 1402 CB LEU A 90 -5.798 -9.001 5.466 1.00 0.56 C ATOM 1403 CG LEU A 90 -4.815 -8.293 4.556 1.00 0.67 C ATOM 1404 CD1 LEU A 90 -4.079 -9.243 3.631 1.00 1.25 C ATOM 1405 CD2 LEU A 90 -5.599 -7.293 3.752 1.00 1.28 C ATOM 1406 HA LEU A 90 -4.690 -10.861 5.510 1.00 0.00 H ATOM 1407 HB2 LEU A 90 -6.672 -9.254 4.866 1.00 0.00 H ATOM 1408 HB3 LEU A 90 -6.086 -8.295 6.245 1.00 0.00 H ATOM 1409 HG LEU A 90 -4.049 -7.813 5.165 1.00 0.00 H ATOM 1410 HD21 LEU A 90 -6.358 -7.813 3.168 1.00 0.00 H ATOM 1411 HD22 LEU A 90 -6.080 -6.584 4.426 1.00 0.00 H ATOM 1412 HD23 LEU A 90 -4.925 -6.760 3.081 1.00 0.00 H ATOM 1413 HD11 LEU A 90 -3.521 -9.967 4.225 1.00 0.00 H ATOM 1414 HD12 LEU A 90 -4.799 -9.766 3.001 1.00 0.00 H ATOM 1415 HD13 LEU A 90 -3.390 -8.677 3.004 1.00 0.00 H ATOM 1416 H LEU A 90 -7.439 -10.581 6.158 1.00 0.00 H ATOM 1417 N PHE A 91 -5.174 -9.890 8.559 1.00 0.73 N ATOM 1418 CA PHE A 91 -4.519 -9.455 9.786 1.00 0.82 C ATOM 1419 C PHE A 91 -4.133 -10.646 10.647 1.00 0.91 C ATOM 1420 O PHE A 91 -3.095 -10.656 11.306 1.00 1.06 O ATOM 1421 CB PHE A 91 -5.448 -8.525 10.570 1.00 0.88 C ATOM 1422 CG PHE A 91 -4.861 -7.992 11.848 1.00 1.04 C ATOM 1423 CD1 PHE A 91 -4.073 -6.854 11.843 1.00 1.70 C ATOM 1424 CD2 PHE A 91 -5.101 -8.628 13.058 1.00 1.26 C ATOM 1425 CE1 PHE A 91 -3.534 -6.360 13.015 1.00 2.30 C ATOM 1426 CE2 PHE A 91 -4.566 -8.140 14.233 1.00 1.75 C ATOM 1427 CZ PHE A 91 -3.780 -7.004 14.211 1.00 2.23 C ATOM 1428 HA PHE A 91 -3.610 -8.917 9.518 1.00 0.00 H ATOM 1429 HB2 PHE A 91 -5.701 -7.678 9.932 1.00 0.00 H ATOM 1430 HB3 PHE A 91 -6.355 -9.077 10.816 1.00 0.00 H ATOM 1431 HD2 PHE A 91 -5.720 -9.525 13.081 1.00 0.00 H ATOM 1432 HE2 PHE A 91 -4.763 -8.650 15.176 1.00 0.00 H ATOM 1433 HZ PHE A 91 -3.355 -6.617 15.137 1.00 0.00 H ATOM 1434 HE1 PHE A 91 -2.915 -5.463 12.995 1.00 0.00 H ATOM 1435 HD1 PHE A 91 -3.875 -6.341 10.902 1.00 0.00 H ATOM 1436 H PHE A 91 -6.180 -10.154 8.585 1.00 0.00 H ATOM 1437 N ARG A 92 -4.969 -11.651 10.625 1.00 0.96 N ATOM 1438 CA ARG A 92 -4.808 -12.787 11.510 1.00 1.11 C ATOM 1439 C ARG A 92 -3.719 -13.727 11.015 1.00 0.83 C ATOM 1440 O ARG A 92 -2.982 -14.320 11.800 1.00 0.90 O ATOM 1441 CB ARG A 92 -6.129 -13.530 11.584 1.00 1.53 C ATOM 1442 CG ARG A 92 -6.484 -14.212 10.283 1.00 1.62 C ATOM 1443 CD ARG A 92 -7.958 -14.482 10.172 1.00 2.21 C ATOM 1444 NE ARG A 92 -8.406 -15.504 11.121 1.00 3.27 N ATOM 1445 CZ ARG A 92 -9.499 -16.253 10.963 1.00 4.05 C ATOM 1446 NH1 ARG A 92 -10.233 -16.155 9.863 1.00 3.96 N ATOM 1447 NH2 ARG A 92 -9.853 -17.112 11.909 1.00 5.06 N ATOM 1448 HA ARG A 92 -4.513 -12.428 12.496 1.00 0.00 H ATOM 1449 HB2 ARG A 92 -6.062 -14.285 12.368 1.00 0.00 H ATOM 1450 HB3 ARG A 92 -6.917 -12.819 11.832 1.00 0.00 H ATOM 1451 HG2 ARG A 92 -6.180 -13.571 9.455 1.00 0.00 H ATOM 1452 HG3 ARG A 92 -5.947 -15.159 10.224 1.00 0.00 H ATOM 1453 HD2 ARG A 92 -8.178 -14.822 9.160 1.00 0.00 H ATOM 1454 HD3 ARG A 92 -8.500 -13.557 10.369 1.00 0.00 H ATOM 1455 HE ARG A 92 -7.833 -15.656 11.976 1.00 0.00 H ATOM 1456 HH12 ARG A 92 -11.083 -16.744 9.751 1.00 0.00 H ATOM 1457 HH11 ARG A 92 -9.959 -15.489 9.112 1.00 0.00 H ATOM 1458 HH22 ARG A 92 -10.704 -17.697 11.788 1.00 0.00 H ATOM 1459 HH21 ARG A 92 -9.279 -17.201 12.772 1.00 0.00 H ATOM 1460 H ARG A 92 -5.767 -11.635 9.958 1.00 0.00 H ATOM 1461 N ASP A 93 -3.624 -13.843 9.704 1.00 0.84 N ATOM 1462 CA ASP A 93 -2.793 -14.862 9.087 1.00 1.10 C ATOM 1463 C ASP A 93 -1.387 -14.362 8.765 1.00 1.31 C ATOM 1464 O ASP A 93 -0.698 -14.954 7.934 1.00 1.88 O ATOM 1465 CB ASP A 93 -3.473 -15.380 7.813 1.00 1.65 C ATOM 1466 CG ASP A 93 -2.885 -16.692 7.325 1.00 2.40 C ATOM 1467 OD1 ASP A 93 -2.952 -17.690 8.077 1.00 2.58 O ATOM 1468 OD2 ASP A 93 -2.368 -16.738 6.189 1.00 3.12 O ATOM 1469 HA ASP A 93 -2.683 -15.671 9.809 1.00 0.00 H ATOM 1470 HB2 ASP A 93 -4.533 -15.528 8.019 1.00 0.00 H ATOM 1471 HB3 ASP A 93 -3.358 -14.633 7.028 1.00 0.00 H ATOM 1472 H ASP A 93 -4.158 -13.188 9.097 1.00 0.00 H ATOM 1473 N GLY A 94 -0.926 -13.293 9.408 1.00 1.11 N ATOM 1474 CA GLY A 94 0.451 -12.920 9.167 1.00 1.69 C ATOM 1475 C GLY A 94 0.687 -11.476 8.769 1.00 1.62 C ATOM 1476 O GLY A 94 1.041 -11.213 7.625 1.00 2.31 O ATOM 1477 HA3 GLY A 94 0.834 -13.554 8.367 1.00 0.00 H ATOM 1478 HA2 GLY A 94 1.014 -13.111 10.081 1.00 0.00 H ATOM 1479 H GLY A 94 -1.530 -12.748 10.056 1.00 0.00 H ATOM 1480 N VAL A 95 0.478 -10.525 9.671 1.00 0.85 N ATOM 1481 CA VAL A 95 0.747 -9.131 9.338 1.00 0.67 C ATOM 1482 C VAL A 95 2.240 -8.847 9.280 1.00 0.62 C ATOM 1483 O VAL A 95 2.913 -8.681 10.296 1.00 0.61 O ATOM 1484 CB VAL A 95 0.090 -8.136 10.317 1.00 0.59 C ATOM 1485 CG1 VAL A 95 0.420 -6.700 9.919 1.00 0.84 C ATOM 1486 CG2 VAL A 95 -1.409 -8.347 10.368 1.00 1.06 C ATOM 1487 HA VAL A 95 0.304 -8.983 8.353 1.00 0.00 H ATOM 1488 HB VAL A 95 0.492 -8.317 11.314 1.00 0.00 H ATOM 1489 HG11 VAL A 95 1.500 -6.558 9.940 1.00 0.00 H ATOM 1490 HG12 VAL A 95 0.046 -6.508 8.913 1.00 0.00 H ATOM 1491 HG13 VAL A 95 -0.052 -6.012 10.621 1.00 0.00 H ATOM 1492 HG21 VAL A 95 -1.830 -8.195 9.374 1.00 0.00 H ATOM 1493 HG22 VAL A 95 -1.620 -9.363 10.702 1.00 0.00 H ATOM 1494 HG23 VAL A 95 -1.851 -7.635 11.064 1.00 0.00 H ATOM 1495 H VAL A 95 0.122 -10.774 10.616 1.00 0.00 H ATOM 1496 N ASN A 96 2.748 -8.855 8.062 1.00 0.76 N ATOM 1497 CA ASN A 96 4.153 -8.597 7.797 1.00 0.86 C ATOM 1498 C ASN A 96 4.282 -7.278 7.052 1.00 0.72 C ATOM 1499 O ASN A 96 3.296 -6.554 6.903 1.00 0.62 O ATOM 1500 CB ASN A 96 4.773 -9.739 6.971 1.00 1.17 C ATOM 1501 CG ASN A 96 4.257 -11.113 7.374 1.00 1.47 C ATOM 1502 OD1 ASN A 96 4.242 -12.044 6.570 1.00 2.12 O ATOM 1503 ND2 ASN A 96 3.825 -11.247 8.618 1.00 1.67 N ATOM 1504 HA ASN A 96 4.691 -8.539 8.743 1.00 0.00 H ATOM 1505 HB2 ASN A 96 4.538 -9.574 5.919 1.00 0.00 H ATOM 1506 HB3 ASN A 96 5.854 -9.720 7.108 1.00 0.00 H ATOM 1507 HD22 ASN A 96 3.854 -10.436 9.269 1.00 0.00 H ATOM 1508 HD21 ASN A 96 3.457 -12.163 8.945 1.00 0.00 H ATOM 1509 H ASN A 96 2.117 -9.054 7.259 1.00 0.00 H ATOM 1510 N TRP A 97 5.478 -6.981 6.566 1.00 0.77 N ATOM 1511 CA TRP A 97 5.722 -5.744 5.833 1.00 0.72 C ATOM 1512 C TRP A 97 4.905 -5.712 4.542 1.00 0.63 C ATOM 1513 O TRP A 97 4.012 -4.877 4.378 1.00 0.59 O ATOM 1514 CB TRP A 97 7.212 -5.602 5.505 1.00 0.86 C ATOM 1515 CG TRP A 97 8.100 -5.598 6.713 1.00 0.68 C ATOM 1516 CD1 TRP A 97 8.514 -4.507 7.422 1.00 0.83 C ATOM 1517 CD2 TRP A 97 8.692 -6.738 7.348 1.00 1.43 C ATOM 1518 NE1 TRP A 97 9.328 -4.901 8.457 1.00 0.99 N ATOM 1519 CE2 TRP A 97 9.452 -6.264 8.433 1.00 1.60 C ATOM 1520 CE3 TRP A 97 8.653 -8.114 7.102 1.00 2.29 C ATOM 1521 CZ2 TRP A 97 10.165 -7.117 9.270 1.00 2.54 C ATOM 1522 CZ3 TRP A 97 9.361 -8.958 7.935 1.00 3.24 C ATOM 1523 CH2 TRP A 97 10.108 -8.456 9.007 1.00 3.34 C ATOM 1524 HA TRP A 97 5.415 -4.910 6.464 1.00 0.00 H ATOM 1525 HB2 TRP A 97 7.504 -6.435 4.866 1.00 0.00 H ATOM 1526 HB3 TRP A 97 7.358 -4.665 4.968 1.00 0.00 H ATOM 1527 HE1 TRP A 97 9.777 -4.266 9.147 1.00 0.00 H ATOM 1528 HD1 TRP A 97 8.239 -3.476 7.200 1.00 0.00 H ATOM 1529 HZ2 TRP A 97 10.748 -6.730 10.106 1.00 0.00 H ATOM 1530 HH2 TRP A 97 10.656 -9.149 9.646 1.00 0.00 H ATOM 1531 HZ3 TRP A 97 9.338 -10.033 7.755 1.00 0.00 H ATOM 1532 HE3 TRP A 97 8.075 -8.513 6.269 1.00 0.00 H ATOM 1533 H TRP A 97 6.263 -7.647 6.711 1.00 0.00 H ATOM 1534 N GLY A 98 5.199 -6.647 3.645 1.00 0.69 N ATOM 1535 CA GLY A 98 4.534 -6.687 2.353 1.00 0.69 C ATOM 1536 C GLY A 98 3.061 -7.026 2.463 1.00 0.62 C ATOM 1537 O GLY A 98 2.263 -6.642 1.616 1.00 0.61 O ATOM 1538 HA3 GLY A 98 5.020 -7.441 1.734 1.00 0.00 H ATOM 1539 HA2 GLY A 98 4.633 -5.710 1.879 1.00 0.00 H ATOM 1540 H GLY A 98 5.918 -7.363 3.871 1.00 0.00 H ATOM 1541 N ARG A 99 2.701 -7.741 3.513 1.00 0.65 N ATOM 1542 CA ARG A 99 1.317 -8.110 3.761 1.00 0.67 C ATOM 1543 C ARG A 99 0.445 -6.857 3.866 1.00 0.53 C ATOM 1544 O ARG A 99 -0.674 -6.821 3.357 1.00 0.55 O ATOM 1545 CB ARG A 99 1.246 -8.928 5.053 1.00 0.82 C ATOM 1546 CG ARG A 99 0.019 -9.816 5.170 1.00 1.04 C ATOM 1547 CD ARG A 99 -1.251 -9.001 5.273 1.00 1.50 C ATOM 1548 NE ARG A 99 -1.306 -8.191 6.493 1.00 2.48 N ATOM 1549 CZ ARG A 99 -1.941 -7.021 6.580 1.00 3.32 C ATOM 1550 NH1 ARG A 99 -2.460 -6.464 5.496 1.00 3.44 N ATOM 1551 NH2 ARG A 99 -2.037 -6.398 7.747 1.00 4.24 N ATOM 1552 HA ARG A 99 0.942 -8.711 2.933 1.00 0.00 H ATOM 1553 HB2 ARG A 99 2.131 -9.562 5.104 1.00 0.00 H ATOM 1554 HB3 ARG A 99 1.247 -8.236 5.895 1.00 0.00 H ATOM 1555 HG2 ARG A 99 -0.041 -10.455 4.289 1.00 0.00 H ATOM 1556 HG3 ARG A 99 0.115 -10.436 6.061 1.00 0.00 H ATOM 1557 HD2 ARG A 99 -2.103 -9.681 5.267 1.00 0.00 H ATOM 1558 HD3 ARG A 99 -1.311 -8.337 4.410 1.00 0.00 H ATOM 1559 HE ARG A 99 -0.822 -8.549 7.341 1.00 0.00 H ATOM 1560 HH12 ARG A 99 -2.955 -5.552 5.566 1.00 0.00 H ATOM 1561 HH11 ARG A 99 -2.373 -6.939 4.575 1.00 0.00 H ATOM 1562 HH22 ARG A 99 -2.533 -5.486 7.810 1.00 0.00 H ATOM 1563 HH21 ARG A 99 -1.616 -6.821 8.599 1.00 0.00 H ATOM 1564 H ARG A 99 3.432 -8.050 4.185 1.00 0.00 H ATOM 1565 N ILE A 100 0.964 -5.829 4.517 1.00 0.44 N ATOM 1566 CA ILE A 100 0.193 -4.617 4.755 1.00 0.36 C ATOM 1567 C ILE A 100 -0.090 -3.864 3.455 1.00 0.33 C ATOM 1568 O ILE A 100 -1.123 -3.200 3.324 1.00 0.34 O ATOM 1569 CB ILE A 100 0.897 -3.713 5.789 1.00 0.32 C ATOM 1570 CG1 ILE A 100 0.769 -4.354 7.172 1.00 0.33 C ATOM 1571 CG2 ILE A 100 0.317 -2.305 5.786 1.00 0.34 C ATOM 1572 CD1 ILE A 100 1.458 -3.590 8.273 1.00 0.34 C ATOM 1573 HA ILE A 100 -0.771 -4.913 5.169 1.00 0.00 H ATOM 1574 HB ILE A 100 1.950 -3.621 5.523 1.00 0.00 H ATOM 1575 HG12 ILE A 100 -0.290 -4.428 7.418 1.00 0.00 H ATOM 1576 HG13 ILE A 100 1.201 -5.354 7.127 1.00 0.00 H ATOM 1577 HD11 ILE A 100 2.523 -3.516 8.051 1.00 0.00 H ATOM 1578 HD12 ILE A 100 1.030 -2.590 8.342 1.00 0.00 H ATOM 1579 HD13 ILE A 100 1.318 -4.113 9.219 1.00 0.00 H ATOM 1580 HG21 ILE A 100 0.444 -1.863 4.798 1.00 0.00 H ATOM 1581 HG22 ILE A 100 -0.744 -2.350 6.032 1.00 0.00 H ATOM 1582 HG23 ILE A 100 0.837 -1.697 6.526 1.00 0.00 H ATOM 1583 H ILE A 100 1.942 -5.888 4.866 1.00 0.00 H ATOM 1584 N VAL A 101 0.794 -4.014 2.478 1.00 0.33 N ATOM 1585 CA VAL A 101 0.590 -3.406 1.169 1.00 0.35 C ATOM 1586 C VAL A 101 -0.647 -4.005 0.499 1.00 0.37 C ATOM 1587 O VAL A 101 -1.286 -3.377 -0.331 1.00 0.45 O ATOM 1588 CB VAL A 101 1.815 -3.589 0.247 1.00 0.46 C ATOM 1589 CG1 VAL A 101 3.086 -3.722 1.062 1.00 1.35 C ATOM 1590 CG2 VAL A 101 1.624 -4.762 -0.690 1.00 1.32 C ATOM 1591 HA VAL A 101 0.447 -2.337 1.327 1.00 0.00 H ATOM 1592 HB VAL A 101 1.912 -2.697 -0.371 1.00 0.00 H ATOM 1593 HG11 VAL A 101 3.227 -2.823 1.661 1.00 0.00 H ATOM 1594 HG12 VAL A 101 3.006 -4.589 1.718 1.00 0.00 H ATOM 1595 HG13 VAL A 101 3.935 -3.850 0.390 1.00 0.00 H ATOM 1596 HG21 VAL A 101 1.488 -5.673 -0.107 1.00 0.00 H ATOM 1597 HG22 VAL A 101 0.744 -4.591 -1.310 1.00 0.00 H ATOM 1598 HG23 VAL A 101 2.503 -4.864 -1.326 1.00 0.00 H ATOM 1599 H VAL A 101 1.651 -4.577 2.649 1.00 0.00 H ATOM 1600 N ALA A 102 -0.983 -5.229 0.876 1.00 0.37 N ATOM 1601 CA ALA A 102 -2.167 -5.884 0.349 1.00 0.39 C ATOM 1602 C ALA A 102 -3.415 -5.177 0.827 1.00 0.35 C ATOM 1603 O ALA A 102 -4.376 -4.985 0.082 1.00 0.34 O ATOM 1604 CB ALA A 102 -2.204 -7.327 0.792 1.00 0.44 C ATOM 1605 HA ALA A 102 -2.128 -5.843 -0.740 1.00 0.00 H ATOM 1606 HB1 ALA A 102 -1.317 -7.842 0.424 1.00 0.00 H ATOM 1607 HB2 ALA A 102 -2.225 -7.371 1.881 1.00 0.00 H ATOM 1608 HB3 ALA A 102 -3.097 -7.806 0.390 1.00 0.00 H ATOM 1609 H ALA A 102 -0.387 -5.732 1.564 1.00 0.00 H ATOM 1610 N PHE A 103 -3.366 -4.776 2.081 1.00 0.35 N ATOM 1611 CA PHE A 103 -4.475 -4.118 2.731 1.00 0.34 C ATOM 1612 C PHE A 103 -4.776 -2.779 2.070 1.00 0.31 C ATOM 1613 O PHE A 103 -5.928 -2.468 1.774 1.00 0.32 O ATOM 1614 CB PHE A 103 -4.147 -3.948 4.215 1.00 0.36 C ATOM 1615 CG PHE A 103 -4.991 -2.924 4.919 1.00 0.62 C ATOM 1616 CD1 PHE A 103 -6.304 -3.194 5.257 1.00 0.67 C ATOM 1617 CD2 PHE A 103 -4.463 -1.682 5.240 1.00 1.03 C ATOM 1618 CE1 PHE A 103 -7.076 -2.247 5.901 1.00 1.09 C ATOM 1619 CE2 PHE A 103 -5.230 -0.734 5.884 1.00 1.48 C ATOM 1620 CZ PHE A 103 -6.539 -1.017 6.215 1.00 1.49 C ATOM 1621 HA PHE A 103 -5.372 -4.729 2.632 1.00 0.00 H ATOM 1622 HB2 PHE A 103 -4.291 -4.909 4.709 1.00 0.00 H ATOM 1623 HB3 PHE A 103 -3.102 -3.649 4.302 1.00 0.00 H ATOM 1624 HD2 PHE A 103 -3.430 -1.453 4.980 1.00 0.00 H ATOM 1625 HE2 PHE A 103 -4.803 0.238 6.131 1.00 0.00 H ATOM 1626 HZ PHE A 103 -7.147 -0.269 6.724 1.00 0.00 H ATOM 1627 HE1 PHE A 103 -8.110 -2.472 6.161 1.00 0.00 H ATOM 1628 HD1 PHE A 103 -6.735 -4.165 5.013 1.00 0.00 H ATOM 1629 H PHE A 103 -2.494 -4.940 2.624 1.00 0.00 H ATOM 1630 N PHE A 104 -3.737 -1.999 1.818 1.00 0.33 N ATOM 1631 CA PHE A 104 -3.926 -0.688 1.224 1.00 0.40 C ATOM 1632 C PHE A 104 -4.120 -0.807 -0.293 1.00 0.39 C ATOM 1633 O PHE A 104 -4.654 0.098 -0.931 1.00 0.47 O ATOM 1634 CB PHE A 104 -2.758 0.246 1.603 1.00 0.56 C ATOM 1635 CG PHE A 104 -1.710 0.438 0.543 1.00 0.97 C ATOM 1636 CD1 PHE A 104 -0.970 -0.627 0.070 1.00 1.47 C ATOM 1637 CD2 PHE A 104 -1.458 1.695 0.035 1.00 1.79 C ATOM 1638 CE1 PHE A 104 -0.005 -0.445 -0.897 1.00 2.61 C ATOM 1639 CE2 PHE A 104 -0.493 1.886 -0.931 1.00 2.90 C ATOM 1640 CZ PHE A 104 0.233 0.815 -1.397 1.00 3.29 C ATOM 1641 HA PHE A 104 -4.836 -0.239 1.623 1.00 0.00 H ATOM 1642 HB2 PHE A 104 -3.175 1.224 1.844 1.00 0.00 H ATOM 1643 HB3 PHE A 104 -2.271 -0.167 2.486 1.00 0.00 H ATOM 1644 HD2 PHE A 104 -2.029 2.548 0.402 1.00 0.00 H ATOM 1645 HE2 PHE A 104 -0.306 2.885 -1.325 1.00 0.00 H ATOM 1646 HZ PHE A 104 0.996 0.964 -2.161 1.00 0.00 H ATOM 1647 HE1 PHE A 104 0.568 -1.296 -1.265 1.00 0.00 H ATOM 1648 HD1 PHE A 104 -1.151 -1.626 0.467 1.00 0.00 H ATOM 1649 H PHE A 104 -2.777 -2.328 2.047 1.00 0.00 H ATOM 1650 N SER A 105 -3.713 -1.946 -0.855 1.00 0.37 N ATOM 1651 CA SER A 105 -3.872 -2.201 -2.283 1.00 0.44 C ATOM 1652 C SER A 105 -5.325 -2.527 -2.611 1.00 0.40 C ATOM 1653 O SER A 105 -5.952 -1.840 -3.419 1.00 0.45 O ATOM 1654 CB SER A 105 -2.955 -3.342 -2.739 1.00 0.50 C ATOM 1655 OG SER A 105 -3.051 -3.561 -4.137 1.00 1.19 O ATOM 1656 HA SER A 105 -3.588 -1.297 -2.821 1.00 0.00 H ATOM 1657 HB2 SER A 105 -3.240 -4.255 -2.217 1.00 0.00 H ATOM 1658 HB3 SER A 105 -1.924 -3.089 -2.490 1.00 0.00 H ATOM 1659 HG SER A 105 -2.448 -4.302 -4.396 1.00 0.00 H ATOM 1660 H SER A 105 -3.270 -2.673 -0.258 1.00 0.00 H ATOM 1661 N PHE A 106 -5.868 -3.561 -1.971 1.00 0.35 N ATOM 1662 CA PHE A 106 -7.254 -3.946 -2.206 1.00 0.37 C ATOM 1663 C PHE A 106 -8.180 -2.871 -1.656 1.00 0.31 C ATOM 1664 O PHE A 106 -9.312 -2.733 -2.094 1.00 0.30 O ATOM 1665 CB PHE A 106 -7.574 -5.301 -1.566 1.00 0.46 C ATOM 1666 CG PHE A 106 -8.747 -6.000 -2.196 1.00 0.99 C ATOM 1667 CD1 PHE A 106 -8.616 -6.644 -3.415 1.00 1.56 C ATOM 1668 CD2 PHE A 106 -9.982 -6.010 -1.567 1.00 1.64 C ATOM 1669 CE1 PHE A 106 -9.694 -7.286 -3.996 1.00 2.46 C ATOM 1670 CE2 PHE A 106 -11.063 -6.651 -2.143 1.00 2.53 C ATOM 1671 CZ PHE A 106 -10.914 -7.295 -3.363 1.00 2.89 C ATOM 1672 HA PHE A 106 -7.407 -4.045 -3.281 1.00 0.00 H ATOM 1673 HB2 PHE A 106 -6.698 -5.943 -1.660 1.00 0.00 H ATOM 1674 HB3 PHE A 106 -7.794 -5.141 -0.510 1.00 0.00 H ATOM 1675 HD2 PHE A 106 -10.102 -5.507 -0.608 1.00 0.00 H ATOM 1676 HE2 PHE A 106 -12.030 -6.651 -1.640 1.00 0.00 H ATOM 1677 HZ PHE A 106 -11.762 -7.807 -3.818 1.00 0.00 H ATOM 1678 HE1 PHE A 106 -9.576 -7.786 -4.957 1.00 0.00 H ATOM 1679 HD1 PHE A 106 -7.651 -6.645 -3.923 1.00 0.00 H ATOM 1680 H PHE A 106 -5.294 -4.102 -1.293 1.00 0.00 H ATOM 1681 N GLY A 107 -7.683 -2.110 -0.688 1.00 0.30 N ATOM 1682 CA GLY A 107 -8.418 -0.963 -0.199 1.00 0.28 C ATOM 1683 C GLY A 107 -8.523 0.118 -1.253 1.00 0.24 C ATOM 1684 O GLY A 107 -9.579 0.723 -1.439 1.00 0.27 O ATOM 1685 HA3 GLY A 107 -7.905 -0.559 0.674 1.00 0.00 H ATOM 1686 HA2 GLY A 107 -9.421 -1.280 0.085 1.00 0.00 H ATOM 1687 H GLY A 107 -6.756 -2.341 -0.277 1.00 0.00 H ATOM 1688 N GLY A 108 -7.420 0.355 -1.955 1.00 0.23 N ATOM 1689 CA GLY A 108 -7.433 1.294 -3.053 1.00 0.22 C ATOM 1690 C GLY A 108 -8.308 0.806 -4.186 1.00 0.22 C ATOM 1691 O GLY A 108 -8.909 1.597 -4.911 1.00 0.23 O ATOM 1692 HA3 GLY A 108 -6.415 1.424 -3.421 1.00 0.00 H ATOM 1693 HA2 GLY A 108 -7.814 2.251 -2.697 1.00 0.00 H ATOM 1694 H GLY A 108 -6.539 -0.140 -1.712 1.00 0.00 H ATOM 1695 N ALA A 109 -8.374 -0.506 -4.335 1.00 0.24 N ATOM 1696 CA ALA A 109 -9.236 -1.121 -5.328 1.00 0.26 C ATOM 1697 C ALA A 109 -10.691 -1.071 -4.878 1.00 0.27 C ATOM 1698 O ALA A 109 -11.594 -0.913 -5.697 1.00 0.31 O ATOM 1699 CB ALA A 109 -8.805 -2.552 -5.579 1.00 0.29 C ATOM 1700 HA ALA A 109 -9.148 -0.562 -6.260 1.00 0.00 H ATOM 1701 HB1 ALA A 109 -7.777 -2.562 -5.942 1.00 0.00 H ATOM 1702 HB2 ALA A 109 -8.869 -3.118 -4.650 1.00 0.00 H ATOM 1703 HB3 ALA A 109 -9.460 -3.002 -6.326 1.00 0.00 H ATOM 1704 H ALA A 109 -7.792 -1.114 -3.724 1.00 0.00 H ATOM 1705 N LEU A 110 -10.890 -1.164 -3.564 1.00 0.25 N ATOM 1706 CA LEU A 110 -12.221 -1.116 -2.957 1.00 0.28 C ATOM 1707 C LEU A 110 -12.854 0.208 -3.325 1.00 0.24 C ATOM 1708 O LEU A 110 -14.051 0.310 -3.613 1.00 0.24 O ATOM 1709 CB LEU A 110 -12.093 -1.223 -1.434 1.00 0.32 C ATOM 1710 CG LEU A 110 -13.171 -2.044 -0.711 1.00 0.45 C ATOM 1711 CD1 LEU A 110 -14.555 -1.448 -0.892 1.00 1.11 C ATOM 1712 CD2 LEU A 110 -13.147 -3.489 -1.182 1.00 1.12 C ATOM 1713 HA LEU A 110 -12.835 -1.942 -3.316 1.00 0.00 H ATOM 1714 HB2 LEU A 110 -11.127 -1.678 -1.214 1.00 0.00 H ATOM 1715 HB3 LEU A 110 -12.118 -0.212 -1.028 1.00 0.00 H ATOM 1716 HG LEU A 110 -12.941 -2.016 0.354 1.00 0.00 H ATOM 1717 HD21 LEU A 110 -13.336 -3.523 -2.255 1.00 0.00 H ATOM 1718 HD22 LEU A 110 -12.170 -3.923 -0.970 1.00 0.00 H ATOM 1719 HD23 LEU A 110 -13.918 -4.054 -0.658 1.00 0.00 H ATOM 1720 HD11 LEU A 110 -14.569 -0.436 -0.488 1.00 0.00 H ATOM 1721 HD12 LEU A 110 -14.801 -1.421 -1.953 1.00 0.00 H ATOM 1722 HD13 LEU A 110 -15.285 -2.061 -0.364 1.00 0.00 H ATOM 1723 H LEU A 110 -10.064 -1.276 -2.942 1.00 0.00 H ATOM 1724 N CYS A 111 -12.003 1.221 -3.302 1.00 0.21 N ATOM 1725 CA CYS A 111 -12.334 2.542 -3.774 1.00 0.19 C ATOM 1726 C CYS A 111 -12.958 2.464 -5.155 1.00 0.20 C ATOM 1727 O CYS A 111 -14.132 2.784 -5.324 1.00 0.26 O ATOM 1728 CB CYS A 111 -11.057 3.372 -3.803 1.00 0.20 C ATOM 1729 SG CYS A 111 -11.224 4.992 -4.557 1.00 0.22 S ATOM 1730 HA CYS A 111 -13.060 3.010 -3.109 1.00 0.00 H ATOM 1731 HB2 CYS A 111 -10.304 2.815 -4.360 1.00 0.00 H ATOM 1732 HB3 CYS A 111 -10.719 3.510 -2.776 1.00 0.00 H ATOM 1733 HG CYS A 111 -10.007 5.641 -4.522 1.00 0.00 H ATOM 1734 H CYS A 111 -11.048 1.056 -2.925 1.00 0.00 H ATOM 1735 N VAL A 112 -12.189 1.978 -6.124 1.00 0.20 N ATOM 1736 CA VAL A 112 -12.642 1.924 -7.507 1.00 0.22 C ATOM 1737 C VAL A 112 -13.850 1.009 -7.663 1.00 0.22 C ATOM 1738 O VAL A 112 -14.728 1.289 -8.471 1.00 0.26 O ATOM 1739 CB VAL A 112 -11.542 1.451 -8.468 1.00 0.26 C ATOM 1740 CG1 VAL A 112 -12.067 1.500 -9.892 1.00 0.35 C ATOM 1741 CG2 VAL A 112 -10.293 2.301 -8.327 1.00 0.27 C ATOM 1742 HA VAL A 112 -12.917 2.946 -7.767 1.00 0.00 H ATOM 1743 HB VAL A 112 -11.270 0.425 -8.219 1.00 0.00 H ATOM 1744 HG11 VAL A 112 -12.936 0.848 -9.980 1.00 0.00 H ATOM 1745 HG12 VAL A 112 -12.353 2.523 -10.138 1.00 0.00 H ATOM 1746 HG13 VAL A 112 -11.288 1.165 -10.577 1.00 0.00 H ATOM 1747 HG21 VAL A 112 -10.534 3.339 -8.555 1.00 0.00 H ATOM 1748 HG22 VAL A 112 -9.920 2.229 -7.305 1.00 0.00 H ATOM 1749 HG23 VAL A 112 -9.531 1.943 -9.020 1.00 0.00 H ATOM 1750 H VAL A 112 -11.239 1.627 -5.888 1.00 0.00 H ATOM 1751 N GLU A 113 -13.910 -0.069 -6.888 1.00 0.23 N ATOM 1752 CA GLU A 113 -15.065 -0.962 -6.928 1.00 0.28 C ATOM 1753 C GLU A 113 -16.348 -0.185 -6.653 1.00 0.23 C ATOM 1754 O GLU A 113 -17.432 -0.564 -7.105 1.00 0.29 O ATOM 1755 CB GLU A 113 -14.924 -2.106 -5.914 1.00 0.40 C ATOM 1756 CG GLU A 113 -13.893 -3.154 -6.294 1.00 0.53 C ATOM 1757 CD GLU A 113 -13.604 -4.142 -5.183 1.00 1.86 C ATOM 1758 OE1 GLU A 113 -12.727 -3.858 -4.348 1.00 2.51 O ATOM 1759 OE2 GLU A 113 -14.253 -5.210 -5.159 1.00 2.34 O ATOM 1760 HA GLU A 113 -15.113 -1.395 -7.927 1.00 0.00 H ATOM 1761 HB2 GLU A 113 -14.638 -1.678 -4.953 1.00 0.00 H ATOM 1762 HB3 GLU A 113 -15.892 -2.598 -5.817 1.00 0.00 H ATOM 1763 HG2 GLU A 113 -14.262 -3.705 -7.159 1.00 0.00 H ATOM 1764 HG3 GLU A 113 -12.965 -2.647 -6.556 1.00 0.00 H ATOM 1765 H GLU A 113 -13.122 -0.280 -6.243 1.00 0.00 H ATOM 1766 N SER A 114 -16.211 0.927 -5.946 1.00 0.18 N ATOM 1767 CA SER A 114 -17.342 1.744 -5.581 1.00 0.19 C ATOM 1768 C SER A 114 -17.642 2.682 -6.722 1.00 0.22 C ATOM 1769 O SER A 114 -18.786 2.865 -7.120 1.00 0.28 O ATOM 1770 CB SER A 114 -17.018 2.530 -4.313 1.00 0.18 C ATOM 1771 OG SER A 114 -16.755 1.653 -3.230 1.00 0.20 O ATOM 1772 HA SER A 114 -18.214 1.120 -5.385 1.00 0.00 H ATOM 1773 HB2 SER A 114 -17.866 3.166 -4.060 1.00 0.00 H ATOM 1774 HB3 SER A 114 -16.140 3.151 -4.492 1.00 0.00 H ATOM 1775 HG SER A 114 -15.983 1.076 -3.454 1.00 0.00 H ATOM 1776 H SER A 114 -15.259 1.220 -5.645 1.00 0.00 H ATOM 1777 N VAL A 115 -16.582 3.213 -7.291 1.00 0.21 N ATOM 1778 CA VAL A 115 -16.685 4.167 -8.354 1.00 0.27 C ATOM 1779 C VAL A 115 -17.213 3.477 -9.604 1.00 0.28 C ATOM 1780 O VAL A 115 -17.888 4.073 -10.440 1.00 0.31 O ATOM 1781 CB VAL A 115 -15.327 4.824 -8.617 1.00 0.34 C ATOM 1782 CG1 VAL A 115 -14.359 4.581 -7.507 1.00 1.23 C ATOM 1783 CG2 VAL A 115 -14.765 4.453 -9.953 1.00 1.10 C ATOM 1784 HA VAL A 115 -17.383 4.954 -8.068 1.00 0.00 H ATOM 1785 HB VAL A 115 -15.503 5.899 -8.646 1.00 0.00 H ATOM 1786 HG11 VAL A 115 -14.760 4.991 -6.580 1.00 0.00 H ATOM 1787 HG12 VAL A 115 -14.201 3.509 -7.393 1.00 0.00 H ATOM 1788 HG13 VAL A 115 -13.411 5.067 -7.740 1.00 0.00 H ATOM 1789 HG21 VAL A 115 -14.633 3.372 -10.003 1.00 0.00 H ATOM 1790 HG22 VAL A 115 -15.452 4.773 -10.736 1.00 0.00 H ATOM 1791 HG23 VAL A 115 -13.802 4.945 -10.090 1.00 0.00 H ATOM 1792 H VAL A 115 -15.638 2.931 -6.958 1.00 0.00 H ATOM 1793 N ASP A 116 -16.879 2.206 -9.675 1.00 0.28 N ATOM 1794 CA ASP A 116 -17.326 1.288 -10.713 1.00 0.34 C ATOM 1795 C ASP A 116 -18.837 1.323 -10.877 1.00 0.35 C ATOM 1796 O ASP A 116 -19.358 1.489 -11.981 1.00 0.41 O ATOM 1797 CB ASP A 116 -16.899 -0.120 -10.317 1.00 0.37 C ATOM 1798 CG ASP A 116 -17.138 -1.138 -11.412 1.00 0.48 C ATOM 1799 OD1 ASP A 116 -16.566 -0.981 -12.509 1.00 0.60 O ATOM 1800 OD2 ASP A 116 -17.880 -2.114 -11.175 1.00 0.60 O ATOM 1801 HA ASP A 116 -16.880 1.585 -11.662 1.00 0.00 H ATOM 1802 HB2 ASP A 116 -15.835 -0.107 -10.080 1.00 0.00 H ATOM 1803 HB3 ASP A 116 -17.463 -0.420 -9.434 1.00 0.00 H ATOM 1804 H ASP A 116 -16.251 1.830 -8.936 1.00 0.00 H ATOM 1805 N LYS A 117 -19.540 1.178 -9.763 1.00 0.32 N ATOM 1806 CA LYS A 117 -20.995 1.206 -9.764 1.00 0.35 C ATOM 1807 C LYS A 117 -21.482 2.649 -9.724 1.00 0.34 C ATOM 1808 O LYS A 117 -22.665 2.913 -9.516 1.00 0.37 O ATOM 1809 CB LYS A 117 -21.540 0.458 -8.548 1.00 0.37 C ATOM 1810 CG LYS A 117 -20.624 -0.634 -8.016 1.00 0.36 C ATOM 1811 CD LYS A 117 -20.405 -1.739 -9.024 1.00 0.45 C ATOM 1812 CE LYS A 117 -19.852 -2.985 -8.357 1.00 0.61 C ATOM 1813 NZ LYS A 117 -20.827 -3.570 -7.394 1.00 1.62 N ATOM 1814 HA LYS A 117 -21.352 0.722 -10.673 1.00 0.00 H ATOM 1815 HB2 LYS A 117 -21.707 1.181 -7.750 1.00 0.00 H ATOM 1816 HB3 LYS A 117 -22.489 0.001 -8.827 1.00 0.00 H ATOM 1817 HG2 LYS A 117 -19.660 -0.192 -7.765 1.00 0.00 H ATOM 1818 HG3 LYS A 117 -21.071 -1.061 -7.119 1.00 0.00 H ATOM 1819 HD2 LYS A 117 -21.356 -1.981 -9.499 1.00 0.00 H ATOM 1820 HD3 LYS A 117 -19.699 -1.397 -9.780 1.00 0.00 H ATOM 1821 HE2 LYS A 117 -18.939 -2.725 -7.822 1.00 0.00 H ATOM 1822 HE3 LYS A 117 -19.624 -3.725 -9.124 1.00 0.00 H ATOM 1823 HZ1 LYS A 117 -21.045 -2.871 -6.656 1.00 0.00 H ATOM 1824 HZ2 LYS A 117 -21.699 -3.827 -7.899 1.00 0.00 H ATOM 1825 HZ3 LYS A 117 -20.415 -4.419 -6.958 1.00 0.00 H ATOM 1826 H LYS A 117 -19.038 1.040 -8.863 1.00 0.00 H ATOM 1827 N GLU A 118 -20.543 3.570 -9.918 1.00 0.31 N ATOM 1828 CA GLU A 118 -20.801 4.998 -9.832 1.00 0.33 C ATOM 1829 C GLU A 118 -21.226 5.359 -8.423 1.00 0.31 C ATOM 1830 O GLU A 118 -22.289 5.929 -8.186 1.00 0.38 O ATOM 1831 CB GLU A 118 -21.824 5.444 -10.876 1.00 0.40 C ATOM 1832 CG GLU A 118 -21.339 5.212 -12.297 1.00 0.49 C ATOM 1833 CD GLU A 118 -22.197 5.902 -13.330 1.00 1.12 C ATOM 1834 OE1 GLU A 118 -21.933 7.082 -13.638 1.00 1.07 O ATOM 1835 OE2 GLU A 118 -23.150 5.270 -13.832 1.00 1.88 O ATOM 1836 HA GLU A 118 -19.880 5.537 -10.055 1.00 0.00 H ATOM 1837 HB2 GLU A 118 -22.746 4.883 -10.725 1.00 0.00 H ATOM 1838 HB3 GLU A 118 -22.021 6.508 -10.742 1.00 0.00 H ATOM 1839 HG2 GLU A 118 -20.320 5.589 -12.383 1.00 0.00 H ATOM 1840 HG3 GLU A 118 -21.347 4.141 -12.497 1.00 0.00 H ATOM 1841 H GLU A 118 -19.578 3.254 -10.142 1.00 0.00 H ATOM 1842 N MET A 119 -20.360 4.993 -7.493 1.00 0.26 N ATOM 1843 CA MET A 119 -20.549 5.253 -6.077 1.00 0.26 C ATOM 1844 C MET A 119 -19.235 5.770 -5.528 1.00 0.25 C ATOM 1845 O MET A 119 -18.830 5.436 -4.418 1.00 0.23 O ATOM 1846 CB MET A 119 -20.937 3.975 -5.326 1.00 0.25 C ATOM 1847 CG MET A 119 -22.107 3.220 -5.926 1.00 0.28 C ATOM 1848 SD MET A 119 -22.378 1.634 -5.112 1.00 0.31 S ATOM 1849 CE MET A 119 -20.709 0.972 -5.131 1.00 0.29 C ATOM 1850 HA MET A 119 -21.352 5.978 -5.945 1.00 0.00 H ATOM 1851 HB2 MET A 119 -20.073 3.311 -5.316 1.00 0.00 H ATOM 1852 HB3 MET A 119 -21.197 4.247 -4.303 1.00 0.00 H ATOM 1853 HG2 MET A 119 -21.907 3.044 -6.983 1.00 0.00 H ATOM 1854 HG3 MET A 119 -23.007 3.826 -5.824 1.00 0.00 H ATOM 1855 HE1 MET A 119 -20.366 0.885 -6.162 1.00 0.00 H ATOM 1856 HE2 MET A 119 -20.048 1.642 -4.582 1.00 0.00 H ATOM 1857 HE3 MET A 119 -20.704 -0.011 -4.661 1.00 0.00 H ATOM 1858 H MET A 119 -19.498 4.493 -7.791 1.00 0.00 H ATOM 1859 N GLN A 120 -18.562 6.569 -6.348 1.00 0.31 N ATOM 1860 CA GLN A 120 -17.265 7.145 -6.027 1.00 0.31 C ATOM 1861 C GLN A 120 -17.241 7.881 -4.669 1.00 0.32 C ATOM 1862 O GLN A 120 -16.195 8.321 -4.221 1.00 0.33 O ATOM 1863 CB GLN A 120 -16.853 8.099 -7.136 1.00 0.36 C ATOM 1864 CG GLN A 120 -17.149 7.575 -8.527 1.00 0.36 C ATOM 1865 CD GLN A 120 -18.432 8.130 -9.118 1.00 0.58 C ATOM 1866 OE1 GLN A 120 -18.906 9.192 -8.724 1.00 1.15 O ATOM 1867 NE2 GLN A 120 -18.974 7.436 -10.100 1.00 0.55 N ATOM 1868 HA GLN A 120 -16.559 6.318 -5.944 1.00 0.00 H ATOM 1869 HB2 GLN A 120 -17.389 9.038 -7.000 1.00 0.00 H ATOM 1870 HB3 GLN A 120 -15.781 8.279 -7.056 1.00 0.00 H ATOM 1871 HG2 GLN A 120 -16.321 7.845 -9.182 1.00 0.00 H ATOM 1872 HG3 GLN A 120 -17.232 6.489 -8.477 1.00 0.00 H ATOM 1873 HE22 GLN A 120 -18.541 6.540 -10.404 1.00 0.00 H ATOM 1874 HE21 GLN A 120 -19.834 7.784 -10.570 1.00 0.00 H ATOM 1875 H GLN A 120 -18.985 6.795 -7.271 1.00 0.00 H ATOM 1876 N VAL A 121 -18.390 8.043 -4.029 1.00 0.32 N ATOM 1877 CA VAL A 121 -18.446 8.669 -2.709 1.00 0.35 C ATOM 1878 C VAL A 121 -17.776 7.801 -1.634 1.00 0.31 C ATOM 1879 O VAL A 121 -17.351 8.304 -0.595 1.00 0.36 O ATOM 1880 CB VAL A 121 -19.896 8.967 -2.286 1.00 0.39 C ATOM 1881 CG1 VAL A 121 -20.529 9.980 -3.224 1.00 0.46 C ATOM 1882 CG2 VAL A 121 -20.710 7.686 -2.248 1.00 0.38 C ATOM 1883 HA VAL A 121 -17.898 9.607 -2.793 1.00 0.00 H ATOM 1884 HB VAL A 121 -19.883 9.395 -1.284 1.00 0.00 H ATOM 1885 HG11 VAL A 121 -19.955 10.906 -3.197 1.00 0.00 H ATOM 1886 HG12 VAL A 121 -20.531 9.582 -4.239 1.00 0.00 H ATOM 1887 HG13 VAL A 121 -21.553 10.176 -2.907 1.00 0.00 H ATOM 1888 HG21 VAL A 121 -20.715 7.231 -3.238 1.00 0.00 H ATOM 1889 HG22 VAL A 121 -20.265 6.996 -1.531 1.00 0.00 H ATOM 1890 HG23 VAL A 121 -21.732 7.915 -1.947 1.00 0.00 H ATOM 1891 H VAL A 121 -19.271 7.718 -4.475 1.00 0.00 H ATOM 1892 N LEU A 122 -17.670 6.499 -1.890 1.00 0.24 N ATOM 1893 CA LEU A 122 -17.012 5.583 -0.956 1.00 0.21 C ATOM 1894 C LEU A 122 -15.522 5.820 -0.967 1.00 0.19 C ATOM 1895 O LEU A 122 -14.829 5.527 0.000 1.00 0.19 O ATOM 1896 CB LEU A 122 -17.278 4.116 -1.309 1.00 0.18 C ATOM 1897 CG LEU A 122 -18.652 3.565 -0.936 1.00 0.22 C ATOM 1898 CD1 LEU A 122 -18.960 3.867 0.520 1.00 0.26 C ATOM 1899 CD2 LEU A 122 -19.725 4.117 -1.860 1.00 0.22 C ATOM 1900 HA LEU A 122 -17.424 5.781 0.034 1.00 0.00 H ATOM 1901 HB2 LEU A 122 -17.159 4.007 -2.387 1.00 0.00 H ATOM 1902 HB3 LEU A 122 -16.528 3.511 -0.799 1.00 0.00 H ATOM 1903 HG LEU A 122 -18.642 2.482 -1.061 1.00 0.00 H ATOM 1904 HD21 LEU A 122 -19.748 5.204 -1.779 1.00 0.00 H ATOM 1905 HD22 LEU A 122 -19.499 3.832 -2.888 1.00 0.00 H ATOM 1906 HD23 LEU A 122 -20.694 3.709 -1.573 1.00 0.00 H ATOM 1907 HD11 LEU A 122 -18.204 3.403 1.154 1.00 0.00 H ATOM 1908 HD12 LEU A 122 -18.953 4.946 0.675 1.00 0.00 H ATOM 1909 HD13 LEU A 122 -19.943 3.468 0.772 1.00 0.00 H ATOM 1910 H LEU A 122 -18.064 6.123 -2.776 1.00 0.00 H ATOM 1911 N VAL A 123 -15.057 6.354 -2.079 1.00 0.19 N ATOM 1912 CA VAL A 123 -13.647 6.620 -2.313 1.00 0.20 C ATOM 1913 C VAL A 123 -12.963 7.275 -1.107 1.00 0.22 C ATOM 1914 O VAL A 123 -11.912 6.813 -0.660 1.00 0.25 O ATOM 1915 CB VAL A 123 -13.511 7.492 -3.573 1.00 0.22 C ATOM 1916 CG1 VAL A 123 -12.115 8.076 -3.720 1.00 0.23 C ATOM 1917 CG2 VAL A 123 -13.896 6.661 -4.795 1.00 0.23 C ATOM 1918 HA VAL A 123 -13.136 5.669 -2.464 1.00 0.00 H ATOM 1919 HB VAL A 123 -14.187 8.342 -3.482 1.00 0.00 H ATOM 1920 HG11 VAL A 123 -11.889 8.696 -2.853 1.00 0.00 H ATOM 1921 HG12 VAL A 123 -11.389 7.266 -3.788 1.00 0.00 H ATOM 1922 HG13 VAL A 123 -12.070 8.683 -4.624 1.00 0.00 H ATOM 1923 HG21 VAL A 123 -13.233 5.799 -4.870 1.00 0.00 H ATOM 1924 HG22 VAL A 123 -14.926 6.321 -4.692 1.00 0.00 H ATOM 1925 HG23 VAL A 123 -13.802 7.272 -5.693 1.00 0.00 H ATOM 1926 H VAL A 123 -15.735 6.598 -2.829 1.00 0.00 H ATOM 1927 N SER A 124 -13.558 8.327 -0.564 1.00 0.24 N ATOM 1928 CA SER A 124 -12.966 8.998 0.590 1.00 0.28 C ATOM 1929 C SER A 124 -13.240 8.208 1.870 1.00 0.27 C ATOM 1930 O SER A 124 -12.400 8.152 2.770 1.00 0.33 O ATOM 1931 CB SER A 124 -13.508 10.419 0.738 1.00 0.36 C ATOM 1932 OG SER A 124 -12.725 11.168 1.656 1.00 1.35 O ATOM 1933 HA SER A 124 -11.890 9.051 0.425 1.00 0.00 H ATOM 1934 HB2 SER A 124 -14.535 10.373 1.099 1.00 0.00 H ATOM 1935 HB3 SER A 124 -13.488 10.912 -0.234 1.00 0.00 H ATOM 1936 HG SER A 124 -13.095 12.083 1.734 1.00 0.00 H ATOM 1937 H SER A 124 -14.453 8.677 -0.962 1.00 0.00 H ATOM 1938 N ARG A 125 -14.413 7.586 1.931 1.00 0.23 N ATOM 1939 CA ARG A 125 -14.842 6.858 3.119 1.00 0.23 C ATOM 1940 C ARG A 125 -13.903 5.691 3.395 1.00 0.21 C ATOM 1941 O ARG A 125 -13.425 5.509 4.514 1.00 0.25 O ATOM 1942 CB ARG A 125 -16.271 6.336 2.940 1.00 0.28 C ATOM 1943 CG ARG A 125 -17.260 7.395 2.482 1.00 0.55 C ATOM 1944 CD ARG A 125 -18.684 6.883 2.520 1.00 0.55 C ATOM 1945 NE ARG A 125 -19.651 7.912 2.144 1.00 1.44 N ATOM 1946 CZ ARG A 125 -20.919 7.929 2.558 1.00 1.65 C ATOM 1947 NH1 ARG A 125 -21.359 7.002 3.401 1.00 1.06 N ATOM 1948 NH2 ARG A 125 -21.738 8.886 2.141 1.00 2.67 N ATOM 1949 HA ARG A 125 -14.817 7.544 3.966 1.00 0.00 H ATOM 1950 HB2 ARG A 125 -16.255 5.537 2.198 1.00 0.00 H ATOM 1951 HB3 ARG A 125 -16.613 5.936 3.895 1.00 0.00 H ATOM 1952 HG2 ARG A 125 -17.178 8.262 3.137 1.00 0.00 H ATOM 1953 HG3 ARG A 125 -17.017 7.688 1.461 1.00 0.00 H ATOM 1954 HD2 ARG A 125 -18.908 6.543 3.531 1.00 0.00 H ATOM 1955 HD3 ARG A 125 -18.775 6.046 1.828 1.00 0.00 H ATOM 1956 HE ARG A 125 -19.332 8.677 1.516 1.00 0.00 H ATOM 1957 HH12 ARG A 125 -22.348 7.018 3.722 1.00 0.00 H ATOM 1958 HH11 ARG A 125 -20.714 6.260 3.740 1.00 0.00 H ATOM 1959 HH22 ARG A 125 -22.727 8.901 2.463 1.00 0.00 H ATOM 1960 HH21 ARG A 125 -21.391 9.621 1.492 1.00 0.00 H ATOM 1961 H ARG A 125 -15.045 7.620 1.105 1.00 0.00 H ATOM 1962 N ILE A 126 -13.644 4.911 2.358 1.00 0.19 N ATOM 1963 CA ILE A 126 -12.747 3.769 2.450 1.00 0.19 C ATOM 1964 C ILE A 126 -11.366 4.204 2.918 1.00 0.20 C ATOM 1965 O ILE A 126 -10.844 3.663 3.890 1.00 0.23 O ATOM 1966 CB ILE A 126 -12.640 3.054 1.089 1.00 0.19 C ATOM 1967 CG1 ILE A 126 -14.043 2.640 0.634 1.00 0.18 C ATOM 1968 CG2 ILE A 126 -11.722 1.845 1.183 1.00 0.22 C ATOM 1969 CD1 ILE A 126 -14.103 2.097 -0.771 1.00 0.18 C ATOM 1970 HA ILE A 126 -13.160 3.074 3.181 1.00 0.00 H ATOM 1971 HB ILE A 126 -12.208 3.735 0.355 1.00 0.00 H ATOM 1972 HG12 ILE A 126 -14.410 1.871 1.314 1.00 0.00 H ATOM 1973 HG13 ILE A 126 -14.693 3.513 0.691 1.00 0.00 H ATOM 1974 HD11 ILE A 126 -13.752 2.858 -1.468 1.00 0.00 H ATOM 1975 HD12 ILE A 126 -13.469 1.214 -0.845 1.00 0.00 H ATOM 1976 HD13 ILE A 126 -15.132 1.829 -1.012 1.00 0.00 H ATOM 1977 HG21 ILE A 126 -10.727 2.169 1.489 1.00 0.00 H ATOM 1978 HG22 ILE A 126 -12.120 1.145 1.918 1.00 0.00 H ATOM 1979 HG23 ILE A 126 -11.664 1.358 0.209 1.00 0.00 H ATOM 1980 H ILE A 126 -14.097 5.121 1.446 1.00 0.00 H ATOM 1981 N ALA A 127 -10.796 5.199 2.242 1.00 0.21 N ATOM 1982 CA ALA A 127 -9.462 5.697 2.576 1.00 0.24 C ATOM 1983 C ALA A 127 -9.368 6.090 4.050 1.00 0.24 C ATOM 1984 O ALA A 127 -8.336 5.886 4.694 1.00 0.29 O ATOM 1985 CB ALA A 127 -9.104 6.879 1.690 1.00 0.27 C ATOM 1986 HA ALA A 127 -8.749 4.892 2.398 1.00 0.00 H ATOM 1987 HB1 ALA A 127 -9.117 6.566 0.646 1.00 0.00 H ATOM 1988 HB2 ALA A 127 -9.831 7.677 1.840 1.00 0.00 H ATOM 1989 HB3 ALA A 127 -8.109 7.238 1.951 1.00 0.00 H ATOM 1990 H ALA A 127 -11.315 5.635 1.453 1.00 0.00 H ATOM 1991 N ALA A 128 -10.453 6.648 4.572 1.00 0.21 N ATOM 1992 CA ALA A 128 -10.533 7.019 5.978 1.00 0.22 C ATOM 1993 C ALA A 128 -10.382 5.800 6.874 1.00 0.23 C ATOM 1994 O ALA A 128 -9.497 5.739 7.731 1.00 0.28 O ATOM 1995 CB ALA A 128 -11.867 7.689 6.267 1.00 0.23 C ATOM 1996 HA ALA A 128 -9.719 7.713 6.188 1.00 0.00 H ATOM 1997 HB1 ALA A 128 -11.962 8.585 5.654 1.00 0.00 H ATOM 1998 HB2 ALA A 128 -12.677 6.999 6.032 1.00 0.00 H ATOM 1999 HB3 ALA A 128 -11.914 7.962 7.321 1.00 0.00 H ATOM 2000 H ALA A 128 -11.273 6.826 3.957 1.00 0.00 H ATOM 2001 N TRP A 129 -11.244 4.825 6.648 1.00 0.25 N ATOM 2002 CA TRP A 129 -11.306 3.643 7.487 1.00 0.35 C ATOM 2003 C TRP A 129 -10.109 2.723 7.253 1.00 0.25 C ATOM 2004 O TRP A 129 -9.746 1.932 8.125 1.00 0.27 O ATOM 2005 CB TRP A 129 -12.619 2.904 7.236 1.00 0.56 C ATOM 2006 CG TRP A 129 -13.827 3.701 7.626 1.00 0.60 C ATOM 2007 CD1 TRP A 129 -14.806 4.165 6.796 1.00 0.49 C ATOM 2008 CD2 TRP A 129 -14.175 4.139 8.943 1.00 1.73 C ATOM 2009 NE1 TRP A 129 -15.741 4.866 7.516 1.00 1.14 N ATOM 2010 CE2 TRP A 129 -15.378 4.862 8.837 1.00 1.99 C ATOM 2011 CE3 TRP A 129 -13.589 3.988 10.203 1.00 2.63 C ATOM 2012 CZ2 TRP A 129 -16.002 5.434 9.941 1.00 3.08 C ATOM 2013 CZ3 TRP A 129 -14.211 4.556 11.298 1.00 3.70 C ATOM 2014 CH2 TRP A 129 -15.406 5.271 11.159 1.00 3.91 C ATOM 2015 HA TRP A 129 -11.267 3.959 8.530 1.00 0.00 H ATOM 2016 HB2 TRP A 129 -12.687 2.668 6.174 1.00 0.00 H ATOM 2017 HB3 TRP A 129 -12.612 1.979 7.813 1.00 0.00 H ATOM 2018 HE1 TRP A 129 -16.587 5.325 7.123 1.00 0.00 H ATOM 2019 HD1 TRP A 129 -14.840 4.003 5.719 1.00 0.00 H ATOM 2020 HZ2 TRP A 129 -16.933 5.992 9.838 1.00 0.00 H ATOM 2021 HH2 TRP A 129 -15.872 5.708 12.043 1.00 0.00 H ATOM 2022 HZ3 TRP A 129 -13.764 4.446 12.286 1.00 0.00 H ATOM 2023 HE3 TRP A 129 -12.658 3.432 10.319 1.00 0.00 H ATOM 2024 H TRP A 129 -11.898 4.907 5.844 1.00 0.00 H ATOM 2025 N MET A 130 -9.499 2.830 6.078 1.00 0.24 N ATOM 2026 CA MET A 130 -8.275 2.093 5.782 1.00 0.26 C ATOM 2027 C MET A 130 -7.140 2.582 6.660 1.00 0.25 C ATOM 2028 O MET A 130 -6.554 1.817 7.427 1.00 0.29 O ATOM 2029 CB MET A 130 -7.878 2.263 4.320 1.00 0.31 C ATOM 2030 CG MET A 130 -8.780 1.538 3.349 1.00 0.29 C ATOM 2031 SD MET A 130 -8.340 1.879 1.639 1.00 1.08 S ATOM 2032 CE MET A 130 -6.668 1.251 1.610 1.00 0.31 C ATOM 2033 HA MET A 130 -8.466 1.038 5.981 1.00 0.00 H ATOM 2034 HB2 MET A 130 -7.900 3.326 4.080 1.00 0.00 H ATOM 2035 HB3 MET A 130 -6.864 1.884 4.194 1.00 0.00 H ATOM 2036 HG2 MET A 130 -9.809 1.857 3.518 1.00 0.00 H ATOM 2037 HG3 MET A 130 -8.699 0.466 3.526 1.00 0.00 H ATOM 2038 HE1 MET A 130 -6.065 1.794 2.338 1.00 0.00 H ATOM 2039 HE2 MET A 130 -6.675 0.190 1.861 1.00 0.00 H ATOM 2040 HE3 MET A 130 -6.247 1.387 0.614 1.00 0.00 H ATOM 2041 H MET A 130 -9.904 3.454 5.351 1.00 0.00 H ATOM 2042 N ALA A 131 -6.845 3.870 6.554 1.00 0.24 N ATOM 2043 CA ALA A 131 -5.761 4.463 7.312 1.00 0.24 C ATOM 2044 C ALA A 131 -6.023 4.348 8.803 1.00 0.24 C ATOM 2045 O ALA A 131 -5.098 4.156 9.588 1.00 0.25 O ATOM 2046 CB ALA A 131 -5.566 5.911 6.915 1.00 0.25 C ATOM 2047 HA ALA A 131 -4.845 3.917 7.084 1.00 0.00 H ATOM 2048 HB1 ALA A 131 -5.328 5.966 5.853 1.00 0.00 H ATOM 2049 HB2 ALA A 131 -6.482 6.467 7.112 1.00 0.00 H ATOM 2050 HB3 ALA A 131 -4.748 6.338 7.495 1.00 0.00 H ATOM 2051 H ALA A 131 -7.404 4.468 5.913 1.00 0.00 H ATOM 2052 N THR A 132 -7.287 4.464 9.191 1.00 0.26 N ATOM 2053 CA THR A 132 -7.659 4.294 10.585 1.00 0.29 C ATOM 2054 C THR A 132 -7.365 2.873 11.059 1.00 0.30 C ATOM 2055 O THR A 132 -6.798 2.678 12.134 1.00 0.32 O ATOM 2056 CB THR A 132 -9.144 4.599 10.831 1.00 0.32 C ATOM 2057 OG1 THR A 132 -9.438 5.949 10.447 1.00 0.35 O ATOM 2058 CG2 THR A 132 -9.478 4.388 12.300 1.00 0.40 C ATOM 2059 HA THR A 132 -7.059 5.006 11.151 1.00 0.00 H ATOM 2060 HB THR A 132 -9.751 3.923 10.229 1.00 0.00 H ATOM 2061 HG1 THR A 132 -9.235 6.069 9.485 1.00 0.00 H ATOM 2062 HG23 THR A 132 -9.250 3.359 12.579 1.00 0.00 H ATOM 2063 HG21 THR A 132 -8.884 5.071 12.908 1.00 0.00 H ATOM 2064 HG22 THR A 132 -10.538 4.584 12.462 1.00 0.00 H ATOM 2065 H THR A 132 -8.022 4.680 8.487 1.00 0.00 H ATOM 2066 N TYR A 133 -7.759 1.881 10.264 1.00 0.30 N ATOM 2067 CA TYR A 133 -7.475 0.493 10.601 1.00 0.32 C ATOM 2068 C TYR A 133 -5.976 0.301 10.781 1.00 0.32 C ATOM 2069 O TYR A 133 -5.535 -0.419 11.675 1.00 0.37 O ATOM 2070 CB TYR A 133 -8.001 -0.464 9.529 1.00 0.33 C ATOM 2071 CG TYR A 133 -7.858 -1.919 9.921 1.00 0.93 C ATOM 2072 CD1 TYR A 133 -8.830 -2.556 10.683 1.00 1.29 C ATOM 2073 CD2 TYR A 133 -6.758 -2.659 9.508 1.00 1.72 C ATOM 2074 CE1 TYR A 133 -8.707 -3.888 11.024 1.00 1.93 C ATOM 2075 CE2 TYR A 133 -6.632 -3.993 9.841 1.00 2.40 C ATOM 2076 CZ TYR A 133 -7.585 -4.577 10.682 1.00 2.40 C ATOM 2077 OH TYR A 133 -7.492 -5.931 10.924 1.00 3.13 O ATOM 2078 HA TYR A 133 -7.987 0.262 11.535 1.00 0.00 H ATOM 2079 HB3 TYR A 133 -7.444 -0.295 8.607 1.00 0.00 H ATOM 2080 HB2 TYR A 133 -9.056 -0.251 9.359 1.00 0.00 H ATOM 2081 HD2 TYR A 133 -5.982 -2.179 8.912 1.00 0.00 H ATOM 2082 HE2 TYR A 133 -5.801 -4.583 9.454 1.00 0.00 H ATOM 2083 HE1 TYR A 133 -9.509 -4.388 11.567 1.00 0.00 H ATOM 2084 HD1 TYR A 133 -9.703 -1.995 11.017 1.00 0.00 H ATOM 2085 HH TYR A 133 -8.224 -6.208 11.530 1.00 0.00 H ATOM 2086 H TYR A 133 -8.277 2.100 9.389 1.00 0.00 H ATOM 2087 N LEU A 134 -5.196 0.957 9.933 1.00 0.29 N ATOM 2088 CA LEU A 134 -3.755 0.951 10.084 1.00 0.30 C ATOM 2089 C LEU A 134 -3.392 1.611 11.412 1.00 0.32 C ATOM 2090 O LEU A 134 -2.674 1.036 12.216 1.00 0.35 O ATOM 2091 CB LEU A 134 -3.082 1.676 8.905 1.00 0.29 C ATOM 2092 CG LEU A 134 -1.583 1.394 8.717 1.00 0.48 C ATOM 2093 CD1 LEU A 134 -1.123 1.864 7.347 1.00 0.95 C ATOM 2094 CD2 LEU A 134 -0.753 2.065 9.801 1.00 0.88 C ATOM 2095 HA LEU A 134 -3.393 -0.077 10.085 1.00 0.00 H ATOM 2096 HB2 LEU A 134 -3.596 1.379 7.991 1.00 0.00 H ATOM 2097 HB3 LEU A 134 -3.205 2.748 9.057 1.00 0.00 H ATOM 2098 HG LEU A 134 -1.436 0.317 8.794 1.00 0.00 H ATOM 2099 HD21 LEU A 134 -0.911 3.143 9.763 1.00 0.00 H ATOM 2100 HD22 LEU A 134 -1.058 1.686 10.777 1.00 0.00 H ATOM 2101 HD23 LEU A 134 0.302 1.845 9.638 1.00 0.00 H ATOM 2102 HD11 LEU A 134 -1.684 1.336 6.576 1.00 0.00 H ATOM 2103 HD12 LEU A 134 -1.297 2.936 7.255 1.00 0.00 H ATOM 2104 HD13 LEU A 134 -0.059 1.656 7.231 1.00 0.00 H ATOM 2105 H LEU A 134 -5.626 1.485 9.146 1.00 0.00 H ATOM 2106 N ASN A 135 -3.932 2.798 11.639 1.00 0.31 N ATOM 2107 CA ASN A 135 -3.671 3.568 12.856 1.00 0.35 C ATOM 2108 C ASN A 135 -3.898 2.755 14.126 1.00 0.38 C ATOM 2109 O ASN A 135 -3.050 2.740 15.020 1.00 0.43 O ATOM 2110 CB ASN A 135 -4.563 4.813 12.891 1.00 0.36 C ATOM 2111 CG ASN A 135 -3.895 6.040 12.316 1.00 0.38 C ATOM 2112 OD1 ASN A 135 -3.281 6.826 13.038 1.00 0.46 O ATOM 2113 ND2 ASN A 135 -3.990 6.206 11.012 1.00 0.34 N ATOM 2114 HA ASN A 135 -2.619 3.853 12.828 1.00 0.00 H ATOM 2115 HB2 ASN A 135 -5.466 4.609 12.316 1.00 0.00 H ATOM 2116 HB3 ASN A 135 -4.832 5.018 13.927 1.00 0.00 H ATOM 2117 HD22 ASN A 135 -4.518 5.519 10.437 1.00 0.00 H ATOM 2118 HD21 ASN A 135 -3.537 7.024 10.558 1.00 0.00 H ATOM 2119 H ASN A 135 -4.569 3.201 10.922 1.00 0.00 H ATOM 2120 N ASP A 136 -5.042 2.094 14.215 1.00 0.38 N ATOM 2121 CA ASP A 136 -5.391 1.351 15.419 1.00 0.42 C ATOM 2122 C ASP A 136 -4.762 -0.041 15.438 1.00 0.40 C ATOM 2123 O ASP A 136 -4.114 -0.431 16.408 1.00 0.43 O ATOM 2124 CB ASP A 136 -6.913 1.240 15.535 1.00 0.45 C ATOM 2125 CG ASP A 136 -7.349 0.217 16.564 1.00 0.53 C ATOM 2126 OD1 ASP A 136 -7.278 0.509 17.776 1.00 0.59 O ATOM 2127 OD2 ASP A 136 -7.777 -0.882 16.159 1.00 0.58 O ATOM 2128 HA ASP A 136 -4.994 1.899 16.273 1.00 0.00 H ATOM 2129 HB2 ASP A 136 -7.313 2.213 15.819 1.00 0.00 H ATOM 2130 HB3 ASP A 136 -7.317 0.952 14.564 1.00 0.00 H ATOM 2131 H ASP A 136 -5.703 2.105 13.412 1.00 0.00 H ATOM 2132 N HIS A 137 -4.952 -0.780 14.361 1.00 0.38 N ATOM 2133 CA HIS A 137 -4.591 -2.193 14.323 1.00 0.38 C ATOM 2134 C HIS A 137 -3.170 -2.436 13.815 1.00 0.35 C ATOM 2135 O HIS A 137 -2.391 -3.149 14.446 1.00 0.37 O ATOM 2136 CB HIS A 137 -5.587 -2.937 13.435 1.00 0.40 C ATOM 2137 CG HIS A 137 -6.597 -3.751 14.189 1.00 0.63 C ATOM 2138 ND1 HIS A 137 -7.505 -3.209 15.073 1.00 1.18 N ATOM 2139 CD2 HIS A 137 -6.850 -5.082 14.171 1.00 1.45 C ATOM 2140 CE1 HIS A 137 -8.270 -4.165 15.560 1.00 1.13 C ATOM 2141 NE2 HIS A 137 -7.895 -5.310 15.029 1.00 1.34 N ATOM 2142 HA HIS A 137 -4.626 -2.565 15.347 1.00 0.00 H ATOM 2143 HB2 HIS A 137 -6.121 -2.203 12.831 1.00 0.00 H ATOM 2144 HB3 HIS A 137 -5.028 -3.606 12.781 1.00 0.00 H ATOM 2145 HD2 HIS A 137 -6.321 -5.832 13.583 1.00 0.00 H ATOM 2146 HE1 HIS A 137 -9.077 -4.031 16.281 1.00 0.00 H ATOM 2147 H HIS A 137 -5.371 -0.343 13.516 1.00 0.00 H ATOM 2148 N LEU A 138 -2.841 -1.845 12.679 1.00 0.32 N ATOM 2149 CA LEU A 138 -1.631 -2.177 11.956 1.00 0.29 C ATOM 2150 C LEU A 138 -0.387 -1.504 12.512 1.00 0.27 C ATOM 2151 O LEU A 138 0.656 -2.138 12.643 1.00 0.27 O ATOM 2152 CB LEU A 138 -1.837 -1.767 10.516 1.00 0.30 C ATOM 2153 CG LEU A 138 -1.962 -2.913 9.537 1.00 0.59 C ATOM 2154 CD1 LEU A 138 -2.586 -4.137 10.186 1.00 1.20 C ATOM 2155 CD2 LEU A 138 -2.776 -2.481 8.334 1.00 1.20 C ATOM 2156 HA LEU A 138 -1.457 -3.248 12.056 1.00 0.00 H ATOM 2157 HB2 LEU A 138 -2.749 -1.173 10.460 1.00 0.00 H ATOM 2158 HB3 LEU A 138 -0.987 -1.155 10.214 1.00 0.00 H ATOM 2159 HG LEU A 138 -0.959 -3.188 9.212 1.00 0.00 H ATOM 2160 HD21 LEU A 138 -3.771 -2.177 8.660 1.00 0.00 H ATOM 2161 HD22 LEU A 138 -2.281 -1.643 7.844 1.00 0.00 H ATOM 2162 HD23 LEU A 138 -2.860 -3.314 7.636 1.00 0.00 H ATOM 2163 HD11 LEU A 138 -1.963 -4.462 11.020 1.00 0.00 H ATOM 2164 HD12 LEU A 138 -3.582 -3.885 10.551 1.00 0.00 H ATOM 2165 HD13 LEU A 138 -2.659 -4.939 9.451 1.00 0.00 H ATOM 2166 H LEU A 138 -3.473 -1.116 12.291 1.00 0.00 H ATOM 2167 N GLU A 139 -0.506 -0.220 12.803 1.00 0.30 N ATOM 2168 CA GLU A 139 0.617 0.601 13.246 1.00 0.31 C ATOM 2169 C GLU A 139 1.438 -0.074 14.356 1.00 0.30 C ATOM 2170 O GLU A 139 2.660 -0.156 14.232 1.00 0.30 O ATOM 2171 CB GLU A 139 0.135 1.980 13.703 1.00 0.38 C ATOM 2172 CG GLU A 139 1.261 2.975 13.904 1.00 0.40 C ATOM 2173 CD GLU A 139 0.786 4.264 14.534 1.00 0.49 C ATOM 2174 OE1 GLU A 139 0.158 5.080 13.835 1.00 0.75 O ATOM 2175 OE2 GLU A 139 1.038 4.461 15.743 1.00 0.61 O ATOM 2176 HA GLU A 139 1.276 0.722 12.386 1.00 0.00 H ATOM 2177 HB2 GLU A 139 -0.546 2.376 12.949 1.00 0.00 H ATOM 2178 HB3 GLU A 139 -0.397 1.865 14.647 1.00 0.00 H ATOM 2179 HG2 GLU A 139 2.014 2.526 14.551 1.00 0.00 H ATOM 2180 HG3 GLU A 139 1.705 3.202 12.935 1.00 0.00 H ATOM 2181 H GLU A 139 -1.441 0.225 12.712 1.00 0.00 H ATOM 2182 N PRO A 140 0.803 -0.576 15.447 1.00 0.32 N ATOM 2183 CA PRO A 140 1.529 -1.295 16.500 1.00 0.34 C ATOM 2184 C PRO A 140 2.367 -2.434 15.931 1.00 0.32 C ATOM 2185 O PRO A 140 3.558 -2.545 16.216 1.00 0.34 O ATOM 2186 CB PRO A 140 0.420 -1.852 17.392 1.00 0.40 C ATOM 2187 CG PRO A 140 -0.738 -0.949 17.175 1.00 0.56 C ATOM 2188 CD PRO A 140 -0.642 -0.483 15.752 1.00 0.36 C ATOM 2189 HA PRO A 140 2.228 -0.647 17.029 1.00 0.00 H ATOM 2190 HD3 PRO A 140 -1.221 -1.129 15.092 1.00 0.00 H ATOM 2191 HD2 PRO A 140 -0.994 0.544 15.655 1.00 0.00 H ATOM 2192 HG3 PRO A 140 -0.688 -0.099 17.856 1.00 0.00 H ATOM 2193 HG2 PRO A 140 -1.673 -1.487 17.335 1.00 0.00 H ATOM 2194 HB2 PRO A 140 0.170 -2.872 17.101 1.00 0.00 H ATOM 2195 HB3 PRO A 140 0.726 -1.838 18.438 1.00 0.00 H ATOM 2196 N TRP A 141 1.730 -3.260 15.112 1.00 0.31 N ATOM 2197 CA TRP A 141 2.390 -4.387 14.459 1.00 0.32 C ATOM 2198 C TRP A 141 3.556 -3.901 13.603 1.00 0.31 C ATOM 2199 O TRP A 141 4.658 -4.429 13.684 1.00 0.36 O ATOM 2200 CB TRP A 141 1.378 -5.128 13.587 1.00 0.35 C ATOM 2201 CG TRP A 141 1.442 -6.617 13.715 1.00 0.36 C ATOM 2202 CD1 TRP A 141 2.224 -7.468 12.994 1.00 0.43 C ATOM 2203 CD2 TRP A 141 0.686 -7.430 14.619 1.00 0.63 C ATOM 2204 NE1 TRP A 141 1.992 -8.764 13.384 1.00 0.60 N ATOM 2205 CE2 TRP A 141 1.057 -8.767 14.385 1.00 0.70 C ATOM 2206 CE3 TRP A 141 -0.268 -7.159 15.604 1.00 0.91 C ATOM 2207 CZ2 TRP A 141 0.506 -9.827 15.097 1.00 0.98 C ATOM 2208 CZ3 TRP A 141 -0.812 -8.213 16.312 1.00 1.19 C ATOM 2209 CH2 TRP A 141 -0.424 -9.533 16.055 1.00 1.20 C ATOM 2210 HA TRP A 141 2.780 -5.061 15.221 1.00 0.00 H ATOM 2211 HB2 TRP A 141 0.377 -4.802 13.870 1.00 0.00 H ATOM 2212 HB3 TRP A 141 1.564 -4.865 12.546 1.00 0.00 H ATOM 2213 HE1 TRP A 141 2.452 -9.607 12.984 1.00 0.00 H ATOM 2214 HD1 TRP A 141 2.930 -7.165 12.221 1.00 0.00 H ATOM 2215 HZ2 TRP A 141 0.805 -10.856 14.898 1.00 0.00 H ATOM 2216 HH2 TRP A 141 -0.872 -10.343 16.630 1.00 0.00 H ATOM 2217 HZ3 TRP A 141 -1.556 -8.013 17.084 1.00 0.00 H ATOM 2218 HE3 TRP A 141 -0.577 -6.134 15.810 1.00 0.00 H ATOM 2219 H TRP A 141 0.719 -3.098 14.927 1.00 0.00 H ATOM 2220 N ILE A 142 3.300 -2.884 12.795 1.00 0.26 N ATOM 2221 CA ILE A 142 4.325 -2.255 11.967 1.00 0.26 C ATOM 2222 C ILE A 142 5.559 -1.903 12.785 1.00 0.29 C ATOM 2223 O ILE A 142 6.683 -2.242 12.416 1.00 0.32 O ATOM 2224 CB ILE A 142 3.752 -0.979 11.326 1.00 0.25 C ATOM 2225 CG1 ILE A 142 2.749 -1.362 10.250 1.00 0.28 C ATOM 2226 CG2 ILE A 142 4.853 -0.096 10.760 1.00 0.28 C ATOM 2227 CD1 ILE A 142 1.764 -0.273 9.932 1.00 0.26 C ATOM 2228 HA ILE A 142 4.621 -2.963 11.193 1.00 0.00 H ATOM 2229 HB ILE A 142 3.245 -0.398 12.096 1.00 0.00 H ATOM 2230 HG12 ILE A 142 3.296 -1.609 9.340 1.00 0.00 H ATOM 2231 HG13 ILE A 142 2.197 -2.238 10.589 1.00 0.00 H ATOM 2232 HD11 ILE A 142 1.199 -0.022 10.830 1.00 0.00 H ATOM 2233 HD12 ILE A 142 2.300 0.608 9.580 1.00 0.00 H ATOM 2234 HD13 ILE A 142 1.080 -0.618 9.156 1.00 0.00 H ATOM 2235 HG21 ILE A 142 5.532 0.195 11.562 1.00 0.00 H ATOM 2236 HG22 ILE A 142 5.404 -0.648 9.998 1.00 0.00 H ATOM 2237 HG23 ILE A 142 4.410 0.795 10.316 1.00 0.00 H ATOM 2238 H ILE A 142 2.328 -2.518 12.748 1.00 0.00 H ATOM 2239 N GLN A 143 5.333 -1.219 13.891 1.00 0.30 N ATOM 2240 CA GLN A 143 6.411 -0.795 14.773 1.00 0.35 C ATOM 2241 C GLN A 143 7.198 -1.991 15.316 1.00 0.39 C ATOM 2242 O GLN A 143 8.403 -1.892 15.542 1.00 0.43 O ATOM 2243 CB GLN A 143 5.843 0.032 15.919 1.00 0.41 C ATOM 2244 CG GLN A 143 5.051 1.245 15.452 1.00 0.43 C ATOM 2245 CD GLN A 143 5.898 2.242 14.685 1.00 0.48 C ATOM 2246 OE1 GLN A 143 7.102 2.360 14.912 1.00 0.57 O ATOM 2247 NE2 GLN A 143 5.272 2.969 13.775 1.00 0.52 N ATOM 2248 HA GLN A 143 7.103 -0.184 14.194 1.00 0.00 H ATOM 2249 HB2 GLN A 143 5.185 -0.604 16.512 1.00 0.00 H ATOM 2250 HB3 GLN A 143 6.670 0.377 16.540 1.00 0.00 H ATOM 2251 HG2 GLN A 143 4.242 0.905 14.805 1.00 0.00 H ATOM 2252 HG3 GLN A 143 4.631 1.744 16.325 1.00 0.00 H ATOM 2253 HE22 GLN A 143 4.253 2.837 13.615 1.00 0.00 H ATOM 2254 HE21 GLN A 143 5.799 3.673 13.219 1.00 0.00 H ATOM 2255 H GLN A 143 4.353 -0.975 14.140 1.00 0.00 H ATOM 2256 N GLU A 144 6.523 -3.128 15.498 1.00 0.40 N ATOM 2257 CA GLU A 144 7.175 -4.355 15.953 1.00 0.47 C ATOM 2258 C GLU A 144 8.165 -4.856 14.911 1.00 0.48 C ATOM 2259 O GLU A 144 9.079 -5.625 15.209 1.00 0.55 O ATOM 2260 CB GLU A 144 6.118 -5.427 16.195 1.00 0.51 C ATOM 2261 CG GLU A 144 5.033 -4.994 17.151 1.00 0.52 C ATOM 2262 CD GLU A 144 5.458 -5.068 18.600 1.00 0.61 C ATOM 2263 OE1 GLU A 144 6.239 -4.199 19.045 1.00 0.67 O ATOM 2264 OE2 GLU A 144 5.005 -5.991 19.308 1.00 0.78 O ATOM 2265 HA GLU A 144 7.714 -4.142 16.876 1.00 0.00 H ATOM 2266 HB2 GLU A 144 5.657 -5.680 15.240 1.00 0.00 H ATOM 2267 HB3 GLU A 144 6.608 -6.310 16.605 1.00 0.00 H ATOM 2268 HG2 GLU A 144 4.758 -3.965 16.922 1.00 0.00 H ATOM 2269 HG3 GLU A 144 4.167 -5.640 17.009 1.00 0.00 H ATOM 2270 H GLU A 144 5.500 -3.142 15.310 1.00 0.00 H ATOM 2271 N ASN A 145 7.965 -4.406 13.688 1.00 0.44 N ATOM 2272 CA ASN A 145 8.741 -4.862 12.552 1.00 0.48 C ATOM 2273 C ASN A 145 9.632 -3.744 12.037 1.00 0.47 C ATOM 2274 O ASN A 145 10.296 -3.873 11.007 1.00 0.57 O ATOM 2275 CB ASN A 145 7.786 -5.356 11.468 1.00 0.49 C ATOM 2276 CG ASN A 145 7.057 -6.607 11.910 1.00 0.58 C ATOM 2277 OD1 ASN A 145 7.444 -7.726 11.568 1.00 0.93 O ATOM 2278 ND2 ASN A 145 6.014 -6.428 12.703 1.00 0.54 N ATOM 2279 HA ASN A 145 9.391 -5.684 12.852 1.00 0.00 H ATOM 2280 HB2 ASN A 145 7.056 -4.575 11.254 1.00 0.00 H ATOM 2281 HB3 ASN A 145 8.356 -5.576 10.565 1.00 0.00 H ATOM 2282 HD22 ASN A 145 5.721 -5.466 12.967 1.00 0.00 H ATOM 2283 HD21 ASN A 145 5.487 -7.249 13.062 1.00 0.00 H ATOM 2284 H ASN A 145 7.221 -3.696 13.532 1.00 0.00 H ATOM 2285 N GLY A 146 9.632 -2.640 12.765 1.00 0.42 N ATOM 2286 CA GLY A 146 10.538 -1.558 12.474 1.00 0.45 C ATOM 2287 C GLY A 146 9.834 -0.260 12.147 1.00 0.44 C ATOM 2288 O GLY A 146 10.190 0.795 12.672 1.00 0.56 O ATOM 2289 HA3 GLY A 146 11.154 -1.842 11.621 1.00 0.00 H ATOM 2290 HA2 GLY A 146 11.175 -1.397 13.343 1.00 0.00 H ATOM 2291 H GLY A 146 8.968 -2.551 13.560 1.00 0.00 H ATOM 2292 N GLY A 147 8.838 -0.329 11.285 1.00 0.36 N ATOM 2293 CA GLY A 147 8.140 0.870 10.872 1.00 0.36 C ATOM 2294 C GLY A 147 8.022 0.969 9.367 1.00 0.38 C ATOM 2295 O GLY A 147 8.380 0.033 8.649 1.00 0.49 O ATOM 2296 HA3 GLY A 147 8.685 1.739 11.240 1.00 0.00 H ATOM 2297 HA2 GLY A 147 7.139 0.861 11.304 1.00 0.00 H ATOM 2298 H GLY A 147 8.552 -1.252 10.899 1.00 0.00 H ATOM 2299 N TRP A 148 7.538 2.105 8.889 1.00 0.35 N ATOM 2300 CA TRP A 148 7.317 2.310 7.469 1.00 0.37 C ATOM 2301 C TRP A 148 8.635 2.563 6.749 1.00 0.38 C ATOM 2302 O TRP A 148 8.818 2.133 5.612 1.00 0.40 O ATOM 2303 CB TRP A 148 6.357 3.475 7.252 1.00 0.39 C ATOM 2304 CG TRP A 148 5.009 3.263 7.875 1.00 0.46 C ATOM 2305 CD1 TRP A 148 4.030 2.418 7.438 1.00 0.79 C ATOM 2306 CD2 TRP A 148 4.487 3.913 9.040 1.00 1.45 C ATOM 2307 NE1 TRP A 148 2.932 2.503 8.260 1.00 0.52 N ATOM 2308 CE2 TRP A 148 3.188 3.414 9.251 1.00 1.25 C ATOM 2309 CE3 TRP A 148 4.993 4.870 9.926 1.00 2.64 C ATOM 2310 CZ2 TRP A 148 2.391 3.839 10.310 1.00 2.17 C ATOM 2311 CZ3 TRP A 148 4.200 5.290 10.976 1.00 3.57 C ATOM 2312 CH2 TRP A 148 2.912 4.774 11.161 1.00 3.32 C ATOM 2313 HA TRP A 148 6.872 1.406 7.053 1.00 0.00 H ATOM 2314 HB2 TRP A 148 6.800 4.372 7.684 1.00 0.00 H ATOM 2315 HB3 TRP A 148 6.223 3.617 6.180 1.00 0.00 H ATOM 2316 HE1 TRP A 148 2.050 1.963 8.148 1.00 0.00 H ATOM 2317 HD1 TRP A 148 4.108 1.770 6.565 1.00 0.00 H ATOM 2318 HZ2 TRP A 148 1.387 3.441 10.456 1.00 0.00 H ATOM 2319 HH2 TRP A 148 2.312 5.125 12.001 1.00 0.00 H ATOM 2320 HZ3 TRP A 148 4.584 6.036 11.672 1.00 0.00 H ATOM 2321 HE3 TRP A 148 5.995 5.277 9.790 1.00 0.00 H ATOM 2322 H TRP A 148 7.309 2.874 9.551 1.00 0.00 H ATOM 2323 N ASP A 149 9.556 3.256 7.417 1.00 0.42 N ATOM 2324 CA ASP A 149 10.896 3.474 6.869 1.00 0.47 C ATOM 2325 C ASP A 149 11.569 2.136 6.614 1.00 0.47 C ATOM 2326 O ASP A 149 12.176 1.917 5.564 1.00 0.52 O ATOM 2327 CB ASP A 149 11.751 4.300 7.830 1.00 0.56 C ATOM 2328 CG ASP A 149 13.144 4.581 7.289 1.00 1.23 C ATOM 2329 OD1 ASP A 149 14.060 3.756 7.507 1.00 1.96 O ATOM 2330 OD2 ASP A 149 13.334 5.643 6.653 1.00 1.72 O ATOM 2331 HA ASP A 149 10.798 4.023 5.932 1.00 0.00 H ATOM 2332 HB2 ASP A 149 11.250 5.251 8.013 1.00 0.00 H ATOM 2333 HB3 ASP A 149 11.846 3.754 8.769 1.00 0.00 H ATOM 2334 H ASP A 149 9.318 3.651 8.349 1.00 0.00 H ATOM 2335 N THR A 150 11.431 1.239 7.581 1.00 0.47 N ATOM 2336 CA THR A 150 11.987 -0.096 7.484 1.00 0.51 C ATOM 2337 C THR A 150 11.410 -0.843 6.287 1.00 0.50 C ATOM 2338 O THR A 150 12.108 -1.617 5.636 1.00 0.56 O ATOM 2339 CB THR A 150 11.719 -0.898 8.768 1.00 0.56 C ATOM 2340 OG1 THR A 150 12.325 -0.238 9.889 1.00 0.62 O ATOM 2341 CG2 THR A 150 12.259 -2.314 8.645 1.00 0.67 C ATOM 2342 HA THR A 150 13.064 0.008 7.350 1.00 0.00 H ATOM 2343 HB THR A 150 10.641 -0.955 8.921 1.00 0.00 H ATOM 2344 HG1 THR A 150 12.149 -0.759 10.712 1.00 0.00 H ATOM 2345 HG23 THR A 150 11.793 -2.806 7.791 1.00 0.00 H ATOM 2346 HG21 THR A 150 13.339 -2.278 8.501 1.00 0.00 H ATOM 2347 HG22 THR A 150 12.031 -2.869 9.555 1.00 0.00 H ATOM 2348 H THR A 150 10.905 1.503 8.439 1.00 0.00 H ATOM 2349 N PHE A 151 10.147 -0.594 5.976 1.00 0.45 N ATOM 2350 CA PHE A 151 9.522 -1.258 4.846 1.00 0.47 C ATOM 2351 C PHE A 151 10.259 -0.913 3.560 1.00 0.48 C ATOM 2352 O PHE A 151 10.490 -1.780 2.726 1.00 0.55 O ATOM 2353 CB PHE A 151 8.043 -0.889 4.710 1.00 0.47 C ATOM 2354 CG PHE A 151 7.412 -1.519 3.503 1.00 1.18 C ATOM 2355 CD1 PHE A 151 6.970 -2.831 3.538 1.00 1.80 C ATOM 2356 CD2 PHE A 151 7.233 -0.790 2.341 1.00 1.75 C ATOM 2357 CE1 PHE A 151 6.366 -3.403 2.435 1.00 2.65 C ATOM 2358 CE2 PHE A 151 6.626 -1.355 1.238 1.00 2.61 C ATOM 2359 CZ PHE A 151 6.297 -2.704 1.253 1.00 3.00 C ATOM 2360 HA PHE A 151 9.582 -2.331 5.027 1.00 0.00 H ATOM 2361 HB2 PHE A 151 7.513 -1.227 5.601 1.00 0.00 H ATOM 2362 HB3 PHE A 151 7.957 0.194 4.627 1.00 0.00 H ATOM 2363 HD2 PHE A 151 7.576 0.244 2.296 1.00 0.00 H ATOM 2364 HE2 PHE A 151 6.406 -0.746 0.361 1.00 0.00 H ATOM 2365 HZ PHE A 151 5.987 -3.204 0.336 1.00 0.00 H ATOM 2366 HE1 PHE A 151 5.945 -4.406 2.502 1.00 0.00 H ATOM 2367 HD1 PHE A 151 7.100 -3.419 4.446 1.00 0.00 H ATOM 2368 H PHE A 151 9.599 0.082 6.545 1.00 0.00 H ATOM 2369 N VAL A 152 10.644 0.347 3.411 1.00 0.45 N ATOM 2370 CA VAL A 152 11.361 0.774 2.219 1.00 0.49 C ATOM 2371 C VAL A 152 12.821 0.312 2.277 1.00 0.57 C ATOM 2372 O VAL A 152 13.462 0.109 1.245 1.00 0.64 O ATOM 2373 CB VAL A 152 11.247 2.305 1.961 1.00 0.60 C ATOM 2374 CG1 VAL A 152 10.315 2.963 2.962 1.00 1.15 C ATOM 2375 CG2 VAL A 152 12.603 2.993 1.945 1.00 0.91 C ATOM 2376 HA VAL A 152 10.883 0.294 1.365 1.00 0.00 H ATOM 2377 HB VAL A 152 10.818 2.424 0.966 1.00 0.00 H ATOM 2378 HG11 VAL A 152 9.322 2.521 2.877 1.00 0.00 H ATOM 2379 HG12 VAL A 152 10.699 2.808 3.970 1.00 0.00 H ATOM 2380 HG13 VAL A 152 10.257 4.032 2.755 1.00 0.00 H ATOM 2381 HG21 VAL A 152 13.093 2.849 2.908 1.00 0.00 H ATOM 2382 HG22 VAL A 152 13.218 2.563 1.155 1.00 0.00 H ATOM 2383 HG23 VAL A 152 12.466 4.059 1.761 1.00 0.00 H ATOM 2384 H VAL A 152 10.431 1.040 4.157 1.00 0.00 H ATOM 2385 N GLU A 153 13.342 0.141 3.487 1.00 0.59 N ATOM 2386 CA GLU A 153 14.648 -0.485 3.664 1.00 0.69 C ATOM 2387 C GLU A 153 14.649 -1.863 3.002 1.00 0.70 C ATOM 2388 O GLU A 153 15.560 -2.212 2.251 1.00 0.80 O ATOM 2389 CB GLU A 153 14.980 -0.623 5.154 1.00 0.76 C ATOM 2390 CG GLU A 153 15.143 0.707 5.866 1.00 0.80 C ATOM 2391 CD GLU A 153 16.473 1.365 5.579 1.00 1.31 C ATOM 2392 OE1 GLU A 153 16.608 2.008 4.516 1.00 1.67 O ATOM 2393 OE2 GLU A 153 17.398 1.235 6.401 1.00 1.58 O ATOM 2394 HA GLU A 153 15.406 0.144 3.197 1.00 0.00 H ATOM 2395 HB2 GLU A 153 14.175 -1.176 5.637 1.00 0.00 H ATOM 2396 HB3 GLU A 153 15.911 -1.182 5.250 1.00 0.00 H ATOM 2397 HG2 GLU A 153 14.346 1.376 5.542 1.00 0.00 H ATOM 2398 HG3 GLU A 153 15.061 0.540 6.940 1.00 0.00 H ATOM 2399 H GLU A 153 12.810 0.459 4.322 1.00 0.00 H ATOM 2400 N LEU A 154 13.607 -2.630 3.293 1.00 0.67 N ATOM 2401 CA LEU A 154 13.426 -3.963 2.752 1.00 0.72 C ATOM 2402 C LEU A 154 12.908 -3.956 1.309 1.00 0.74 C ATOM 2403 O LEU A 154 13.578 -4.435 0.397 1.00 0.83 O ATOM 2404 CB LEU A 154 12.432 -4.708 3.641 1.00 0.72 C ATOM 2405 CG LEU A 154 12.987 -5.233 4.966 1.00 0.83 C ATOM 2406 CD1 LEU A 154 13.678 -4.153 5.779 1.00 1.30 C ATOM 2407 CD2 LEU A 154 11.876 -5.862 5.782 1.00 1.14 C ATOM 2408 HA LEU A 154 14.399 -4.454 2.736 1.00 0.00 H ATOM 2409 HB2 LEU A 154 11.611 -4.028 3.868 1.00 0.00 H ATOM 2410 HB3 LEU A 154 12.051 -5.559 3.077 1.00 0.00 H ATOM 2411 HG LEU A 154 13.739 -5.983 4.722 1.00 0.00 H ATOM 2412 HD21 LEU A 154 11.109 -5.115 5.985 1.00 0.00 H ATOM 2413 HD22 LEU A 154 11.440 -6.690 5.223 1.00 0.00 H ATOM 2414 HD23 LEU A 154 12.283 -6.232 6.723 1.00 0.00 H ATOM 2415 HD11 LEU A 154 14.510 -3.745 5.205 1.00 0.00 H ATOM 2416 HD12 LEU A 154 12.966 -3.359 6.005 1.00 0.00 H ATOM 2417 HD13 LEU A 154 14.052 -4.583 6.708 1.00 0.00 H ATOM 2418 H LEU A 154 12.884 -2.257 3.941 1.00 0.00 H ATOM 2419 N TYR A 155 11.723 -3.391 1.110 1.00 0.69 N ATOM 2420 CA TYR A 155 10.995 -3.522 -0.150 1.00 0.78 C ATOM 2421 C TYR A 155 10.740 -2.148 -0.763 1.00 0.77 C ATOM 2422 O TYR A 155 9.752 -1.934 -1.462 1.00 1.15 O ATOM 2423 CB TYR A 155 9.669 -4.239 0.114 1.00 0.86 C ATOM 2424 CG TYR A 155 9.154 -5.066 -1.048 1.00 1.40 C ATOM 2425 CD1 TYR A 155 8.337 -4.498 -2.019 1.00 2.24 C ATOM 2426 CD2 TYR A 155 9.492 -6.408 -1.183 1.00 1.83 C ATOM 2427 CE1 TYR A 155 7.873 -5.243 -3.087 1.00 3.16 C ATOM 2428 CE2 TYR A 155 9.030 -7.159 -2.247 1.00 2.65 C ATOM 2429 CZ TYR A 155 8.197 -6.598 -3.168 1.00 3.24 C ATOM 2430 OH TYR A 155 7.761 -7.319 -4.262 1.00 4.24 O ATOM 2431 HA TYR A 155 11.591 -4.102 -0.855 1.00 0.00 H ATOM 2432 HB3 TYR A 155 8.918 -3.487 0.355 1.00 0.00 H ATOM 2433 HB2 TYR A 155 9.805 -4.902 0.969 1.00 0.00 H ATOM 2434 HD2 TYR A 155 10.133 -6.876 -0.436 1.00 0.00 H ATOM 2435 HE2 TYR A 155 9.332 -8.201 -2.350 1.00 0.00 H ATOM 2436 HE1 TYR A 155 7.260 -4.777 -3.858 1.00 0.00 H ATOM 2437 HD1 TYR A 155 8.058 -3.448 -1.937 1.00 0.00 H ATOM 2438 HH TYR A 155 7.168 -6.751 -4.815 1.00 0.00 H ATOM 2439 H TYR A 155 11.298 -2.835 1.879 1.00 0.00 H ATOM 2440 N GLY A 156 11.644 -1.224 -0.484 1.00 0.66 N ATOM 2441 CA GLY A 156 11.532 0.130 -0.991 1.00 0.64 C ATOM 2442 C GLY A 156 11.491 0.223 -2.494 1.00 0.78 C ATOM 2443 O GLY A 156 11.808 -0.730 -3.213 1.00 1.10 O ATOM 2444 HA3 GLY A 156 12.390 0.701 -0.636 1.00 0.00 H ATOM 2445 HA2 GLY A 156 10.616 0.569 -0.596 1.00 0.00 H ATOM 2446 H GLY A 156 12.457 -1.475 0.115 1.00 0.00 H ATOM 2447 N ASN A 157 11.106 1.396 -2.943 1.00 0.70 N ATOM 2448 CA ASN A 157 10.971 1.716 -4.345 1.00 0.80 C ATOM 2449 C ASN A 157 12.278 1.467 -5.092 1.00 1.14 C ATOM 2450 O ASN A 157 13.261 2.187 -4.906 1.00 1.29 O ATOM 2451 CB ASN A 157 10.564 3.178 -4.433 1.00 0.70 C ATOM 2452 CG ASN A 157 10.310 3.662 -5.843 1.00 0.77 C ATOM 2453 OD1 ASN A 157 11.220 4.125 -6.529 1.00 0.88 O ATOM 2454 ND2 ASN A 157 9.067 3.575 -6.284 1.00 0.76 N ATOM 2455 HA ASN A 157 10.219 1.080 -4.812 1.00 0.00 H ATOM 2456 HB2 ASN A 157 9.651 3.315 -3.853 1.00 0.00 H ATOM 2457 HB3 ASN A 157 11.361 3.783 -4.001 1.00 0.00 H ATOM 2458 HD22 ASN A 157 8.325 3.177 -5.673 1.00 0.00 H ATOM 2459 HD21 ASN A 157 8.831 3.904 -7.242 1.00 0.00 H ATOM 2460 H ASN A 157 10.885 2.138 -2.248 1.00 0.00 H ATOM 2461 N ASN A 158 12.287 0.444 -5.936 1.00 1.40 N ATOM 2462 CA ASN A 158 13.494 0.029 -6.608 1.00 1.79 C ATOM 2463 C ASN A 158 13.748 0.903 -7.831 1.00 1.93 C ATOM 2464 O ASN A 158 14.853 0.929 -8.364 1.00 2.18 O ATOM 2465 CB ASN A 158 13.375 -1.434 -7.004 1.00 2.11 C ATOM 2466 CG ASN A 158 14.696 -2.049 -7.382 1.00 2.55 C ATOM 2467 OD1 ASN A 158 15.447 -2.525 -6.530 1.00 2.99 O ATOM 2468 ND2 ASN A 158 14.979 -2.063 -8.664 1.00 2.94 N ATOM 2469 HA ASN A 158 14.341 0.144 -5.932 1.00 0.00 H ATOM 2470 HB2 ASN A 158 12.961 -1.990 -6.163 1.00 0.00 H ATOM 2471 HB3 ASN A 158 12.699 -1.510 -7.856 1.00 0.00 H ATOM 2472 HD22 ASN A 158 14.314 -1.649 -9.348 1.00 0.00 H ATOM 2473 HD21 ASN A 158 15.868 -2.488 -8.996 1.00 0.00 H ATOM 2474 H ASN A 158 11.402 -0.072 -6.118 1.00 0.00 H ATOM 2475 N ALA A 159 12.723 1.620 -8.271 1.00 1.86 N ATOM 2476 CA ALA A 159 12.889 2.605 -9.333 1.00 2.10 C ATOM 2477 C ALA A 159 13.911 3.652 -8.906 1.00 2.25 C ATOM 2478 O ALA A 159 14.885 3.916 -9.613 1.00 2.52 O ATOM 2479 CB ALA A 159 11.556 3.256 -9.672 1.00 2.14 C ATOM 2480 HA ALA A 159 13.253 2.104 -10.230 1.00 0.00 H ATOM 2481 HB1 ALA A 159 10.854 2.492 -10.005 1.00 0.00 H ATOM 2482 HB2 ALA A 159 11.160 3.753 -8.786 1.00 0.00 H ATOM 2483 HB3 ALA A 159 11.702 3.988 -10.467 1.00 0.00 H ATOM 2484 H ALA A 159 11.783 1.477 -7.850 1.00 0.00 H ATOM 2485 N ALA A 160 13.696 4.216 -7.721 1.00 2.17 N ATOM 2486 CA ALA A 160 14.639 5.156 -7.133 1.00 2.44 C ATOM 2487 C ALA A 160 15.936 4.446 -6.775 1.00 2.55 C ATOM 2488 O ALA A 160 17.017 5.036 -6.838 1.00 2.87 O ATOM 2489 CB ALA A 160 14.040 5.809 -5.901 1.00 2.45 C ATOM 2490 HA ALA A 160 14.856 5.933 -7.866 1.00 0.00 H ATOM 2491 HB1 ALA A 160 13.133 6.345 -6.180 1.00 0.00 H ATOM 2492 HB2 ALA A 160 13.799 5.042 -5.166 1.00 0.00 H ATOM 2493 HB3 ALA A 160 14.760 6.508 -5.476 1.00 0.00 H ATOM 2494 H ALA A 160 12.828 3.978 -7.199 1.00 0.00 H ATOM 2495 N ALA A 161 15.814 3.175 -6.401 1.00 2.37 N ATOM 2496 CA ALA A 161 16.971 2.341 -6.108 1.00 2.60 C ATOM 2497 C ALA A 161 17.906 2.282 -7.313 1.00 2.85 C ATOM 2498 O ALA A 161 19.095 2.562 -7.200 1.00 3.20 O ATOM 2499 CB ALA A 161 16.528 0.939 -5.704 1.00 2.50 C ATOM 2500 HA ALA A 161 17.514 2.784 -5.273 1.00 0.00 H ATOM 2501 HB1 ALA A 161 15.900 1.000 -4.815 1.00 0.00 H ATOM 2502 HB2 ALA A 161 15.963 0.489 -6.520 1.00 0.00 H ATOM 2503 HB3 ALA A 161 17.406 0.330 -5.489 1.00 0.00 H ATOM 2504 H ALA A 161 14.862 2.764 -6.315 1.00 0.00 H ATOM 2505 N GLU A 162 17.351 1.944 -8.471 1.00 2.76 N ATOM 2506 CA GLU A 162 18.125 1.873 -9.705 1.00 3.08 C ATOM 2507 C GLU A 162 18.583 3.261 -10.135 1.00 3.31 C ATOM 2508 O GLU A 162 19.648 3.415 -10.735 1.00 3.67 O ATOM 2509 CB GLU A 162 17.299 1.233 -10.818 1.00 3.06 C ATOM 2510 CG GLU A 162 16.825 -0.172 -10.497 1.00 3.25 C ATOM 2511 CD GLU A 162 16.094 -0.810 -11.655 1.00 3.48 C ATOM 2512 OE1 GLU A 162 14.863 -0.627 -11.757 1.00 3.72 O ATOM 2513 OE2 GLU A 162 16.740 -1.502 -12.466 1.00 3.71 O ATOM 2514 HA GLU A 162 19.004 1.257 -9.517 1.00 0.00 H ATOM 2515 HB2 GLU A 162 16.425 1.858 -11.000 1.00 0.00 H ATOM 2516 HB3 GLU A 162 17.910 1.192 -11.720 1.00 0.00 H ATOM 2517 HG2 GLU A 162 17.691 -0.786 -10.248 1.00 0.00 H ATOM 2518 HG3 GLU A 162 16.153 -0.128 -9.640 1.00 0.00 H ATOM 2519 H GLU A 162 16.335 1.724 -8.499 1.00 0.00 H ATOM 2520 N SER A 163 17.774 4.266 -9.820 1.00 3.19 N ATOM 2521 CA SER A 163 18.099 5.647 -10.142 1.00 3.52 C ATOM 2522 C SER A 163 19.430 6.049 -9.507 1.00 3.81 C ATOM 2523 O SER A 163 20.293 6.620 -10.172 1.00 4.18 O ATOM 2524 CB SER A 163 16.975 6.582 -9.675 1.00 3.44 C ATOM 2525 OG SER A 163 17.240 7.929 -10.026 1.00 3.87 O ATOM 2526 HA SER A 163 18.197 5.736 -11.224 1.00 0.00 H ATOM 2527 HB2 SER A 163 16.881 6.510 -8.591 1.00 0.00 H ATOM 2528 HB3 SER A 163 16.040 6.272 -10.141 1.00 0.00 H ATOM 2529 HG SER A 163 16.498 8.503 -9.711 1.00 0.00 H ATOM 2530 H SER A 163 16.881 4.060 -9.328 1.00 0.00 H ATOM 2531 N ARG A 164 19.610 5.719 -8.232 1.00 3.70 N ATOM 2532 CA ARG A 164 20.843 6.062 -7.529 1.00 4.07 C ATOM 2533 C ARG A 164 21.905 4.992 -7.718 1.00 4.24 C ATOM 2534 O ARG A 164 23.087 5.223 -7.466 1.00 4.61 O ATOM 2535 CB ARG A 164 20.574 6.280 -6.043 1.00 4.05 C ATOM 2536 CG ARG A 164 19.817 7.561 -5.765 1.00 4.12 C ATOM 2537 CD ARG A 164 20.659 8.790 -6.074 1.00 4.41 C ATOM 2538 NE ARG A 164 19.915 10.029 -5.844 1.00 4.73 N ATOM 2539 CZ ARG A 164 20.331 11.235 -6.230 1.00 5.32 C ATOM 2540 NH1 ARG A 164 21.510 11.380 -6.824 1.00 5.65 N ATOM 2541 NH2 ARG A 164 19.565 12.295 -6.011 1.00 5.82 N ATOM 2542 HA ARG A 164 21.218 6.991 -7.958 1.00 0.00 H ATOM 2543 HB2 ARG A 164 19.988 5.441 -5.668 1.00 0.00 H ATOM 2544 HB3 ARG A 164 21.529 6.318 -5.518 1.00 0.00 H ATOM 2545 HG2 ARG A 164 18.920 7.583 -6.383 1.00 0.00 H ATOM 2546 HG3 ARG A 164 19.533 7.583 -4.713 1.00 0.00 H ATOM 2547 HD2 ARG A 164 20.969 8.753 -7.118 1.00 0.00 H ATOM 2548 HD3 ARG A 164 21.541 8.784 -5.434 1.00 0.00 H ATOM 2549 HE ARG A 164 19.003 9.964 -5.348 1.00 0.00 H ATOM 2550 HH12 ARG A 164 21.829 12.324 -7.123 1.00 0.00 H ATOM 2551 HH11 ARG A 164 22.114 10.550 -6.990 1.00 0.00 H ATOM 2552 HH22 ARG A 164 19.885 13.238 -6.310 1.00 0.00 H ATOM 2553 HH21 ARG A 164 18.645 12.183 -5.540 1.00 0.00 H ATOM 2554 H ARG A 164 18.859 5.207 -7.726 1.00 0.00 H ATOM 2555 N LYS A 165 21.474 3.825 -8.170 1.00 4.03 N ATOM 2556 CA LYS A 165 22.376 2.702 -8.399 1.00 4.26 C ATOM 2557 C LYS A 165 23.325 3.003 -9.551 1.00 4.49 C ATOM 2558 O LYS A 165 24.453 2.515 -9.579 1.00 4.77 O ATOM 2559 CB LYS A 165 21.578 1.434 -8.709 1.00 4.10 C ATOM 2560 CG LYS A 165 22.436 0.185 -8.845 1.00 4.47 C ATOM 2561 CD LYS A 165 21.635 -0.990 -9.376 1.00 4.47 C ATOM 2562 CE LYS A 165 20.457 -1.324 -8.476 1.00 4.43 C ATOM 2563 NZ LYS A 165 19.718 -2.522 -8.952 1.00 4.72 N ATOM 2564 HA LYS A 165 22.960 2.545 -7.492 1.00 0.00 H ATOM 2565 HB2 LYS A 165 20.862 1.273 -7.903 1.00 0.00 H ATOM 2566 HB3 LYS A 165 21.041 1.586 -9.645 1.00 0.00 H ATOM 2567 HG2 LYS A 165 23.257 0.393 -9.531 1.00 0.00 H ATOM 2568 HG3 LYS A 165 22.839 -0.075 -7.866 1.00 0.00 H ATOM 2569 HD2 LYS A 165 21.261 -0.742 -10.369 1.00 0.00 H ATOM 2570 HD3 LYS A 165 22.287 -1.861 -9.442 1.00 0.00 H ATOM 2571 HE2 LYS A 165 19.775 -0.474 -8.457 1.00 0.00 H ATOM 2572 HE3 LYS A 165 20.826 -1.515 -7.468 1.00 0.00 H ATOM 2573 HZ1 LYS A 165 19.356 -2.346 -9.911 1.00 0.00 H ATOM 2574 HZ2 LYS A 165 20.360 -3.340 -8.967 1.00 0.00 H ATOM 2575 HZ3 LYS A 165 18.923 -2.715 -8.310 1.00 0.00 H ATOM 2576 H LYS A 165 20.460 3.705 -8.368 1.00 0.00 H ATOM 2577 N GLY A 166 22.856 3.816 -10.493 1.00 4.45 N ATOM 2578 CA GLY A 166 23.656 4.160 -11.652 1.00 4.72 C ATOM 2579 C GLY A 166 24.998 4.756 -11.275 1.00 4.91 C ATOM 2580 O GLY A 166 26.046 4.240 -11.662 1.00 5.10 O ATOM 2581 HA3 GLY A 166 23.107 4.885 -12.253 1.00 0.00 H ATOM 2582 HA2 GLY A 166 23.826 3.258 -12.240 1.00 0.00 H ATOM 2583 H GLY A 166 21.899 4.212 -10.397 1.00 0.00 H ATOM 2584 N GLN A 167 24.972 5.834 -10.505 1.00 4.92 N ATOM 2585 CA GLN A 167 26.203 6.472 -10.059 1.00 5.16 C ATOM 2586 C GLN A 167 26.861 5.670 -8.948 1.00 5.19 C ATOM 2587 O GLN A 167 28.072 5.751 -8.741 1.00 5.45 O ATOM 2588 CB GLN A 167 25.931 7.900 -9.588 1.00 5.30 C ATOM 2589 CG GLN A 167 24.934 7.983 -8.443 1.00 5.16 C ATOM 2590 CD GLN A 167 24.686 9.400 -7.969 1.00 5.42 C ATOM 2591 OE1 GLN A 167 23.596 9.728 -7.500 1.00 5.60 O ATOM 2592 NE2 GLN A 167 25.693 10.253 -8.086 1.00 5.72 N ATOM 2593 HA GLN A 167 26.886 6.508 -10.907 1.00 0.00 H ATOM 2594 HB2 GLN A 167 26.872 8.340 -9.258 1.00 0.00 H ATOM 2595 HB3 GLN A 167 25.539 8.472 -10.429 1.00 0.00 H ATOM 2596 HG2 GLN A 167 23.987 7.558 -8.776 1.00 0.00 H ATOM 2597 HG3 GLN A 167 25.318 7.400 -7.606 1.00 0.00 H ATOM 2598 HE22 GLN A 167 26.599 9.937 -8.488 1.00 0.00 H ATOM 2599 HE21 GLN A 167 25.578 11.239 -7.776 1.00 0.00 H ATOM 2600 H GLN A 167 24.056 6.232 -10.214 1.00 0.00 H ATOM 2601 N GLU A 168 26.065 4.878 -8.244 1.00 5.02 N ATOM 2602 CA GLU A 168 26.586 4.053 -7.170 1.00 5.17 C ATOM 2603 C GLU A 168 27.382 2.891 -7.748 1.00 5.30 C ATOM 2604 O GLU A 168 28.121 2.211 -7.035 1.00 5.55 O ATOM 2605 CB GLU A 168 25.454 3.531 -6.289 1.00 5.10 C ATOM 2606 CG GLU A 168 25.902 3.194 -4.879 1.00 5.39 C ATOM 2607 CD GLU A 168 26.385 4.420 -4.133 1.00 5.63 C ATOM 2608 OE1 GLU A 168 27.540 4.851 -4.359 1.00 5.88 O ATOM 2609 OE2 GLU A 168 25.608 4.977 -3.332 1.00 5.81 O ATOM 2610 HA GLU A 168 27.244 4.664 -6.552 1.00 0.00 H ATOM 2611 HB2 GLU A 168 24.678 4.294 -6.233 1.00 0.00 H ATOM 2612 HB3 GLU A 168 25.045 2.631 -6.747 1.00 0.00 H ATOM 2613 HG2 GLU A 168 25.063 2.759 -4.337 1.00 0.00 H ATOM 2614 HG3 GLU A 168 26.715 2.469 -4.931 1.00 0.00 H ATOM 2615 H GLU A 168 25.049 4.847 -8.465 1.00 0.00 H ATOM 2616 N ARG A 169 27.251 2.689 -9.054 1.00 5.23 N ATOM 2617 CA ARG A 169 27.971 1.624 -9.735 1.00 5.45 C ATOM 2618 C ARG A 169 29.440 2.010 -9.830 1.00 5.78 C ATOM 2619 O ARG A 169 30.334 1.162 -9.795 1.00 6.09 O ATOM 2620 CB ARG A 169 27.365 1.380 -11.127 1.00 5.37 C ATOM 2621 CG ARG A 169 27.816 0.087 -11.797 1.00 5.66 C ATOM 2622 CD ARG A 169 29.218 0.198 -12.370 1.00 6.08 C ATOM 2623 NE ARG A 169 29.705 -1.070 -12.900 1.00 6.39 N ATOM 2624 CZ ARG A 169 30.898 -1.582 -12.608 1.00 6.90 C ATOM 2625 NH1 ARG A 169 31.682 -0.979 -11.721 1.00 7.13 N ATOM 2626 NH2 ARG A 169 31.295 -2.708 -13.183 1.00 7.34 N ATOM 2627 HA ARG A 169 27.885 0.694 -9.173 1.00 0.00 H ATOM 2628 HB2 ARG A 169 26.280 1.350 -11.026 1.00 0.00 H ATOM 2629 HB3 ARG A 169 27.646 2.213 -11.771 1.00 0.00 H ATOM 2630 HG2 ARG A 169 27.800 -0.715 -11.059 1.00 0.00 H ATOM 2631 HG3 ARG A 169 27.124 -0.150 -12.605 1.00 0.00 H ATOM 2632 HD2 ARG A 169 29.893 0.530 -11.582 1.00 0.00 H ATOM 2633 HD3 ARG A 169 29.210 0.934 -13.174 1.00 0.00 H ATOM 2634 HE ARG A 169 29.085 -1.604 -13.542 1.00 0.00 H ATOM 2635 HH12 ARG A 169 32.614 -1.380 -11.494 1.00 0.00 H ATOM 2636 HH11 ARG A 169 31.364 -0.106 -11.254 1.00 0.00 H ATOM 2637 HH22 ARG A 169 32.227 -3.108 -12.955 1.00 0.00 H ATOM 2638 HH21 ARG A 169 30.674 -3.192 -13.863 1.00 0.00 H ATOM 2639 H ARG A 169 26.619 3.306 -9.603 1.00 0.00 H ATOM 2640 N LEU A 170 29.677 3.307 -9.931 1.00 5.79 N ATOM 2641 CA LEU A 170 31.027 3.838 -9.960 1.00 6.19 C ATOM 2642 C LEU A 170 31.540 4.018 -8.541 1.00 6.32 C ATOM 2643 O LEU A 170 32.737 4.218 -8.326 1.00 6.79 O ATOM 2644 CB LEU A 170 31.076 5.168 -10.707 1.00 6.33 C ATOM 2645 CG LEU A 170 30.879 5.096 -12.228 1.00 6.61 C ATOM 2646 CD1 LEU A 170 31.831 4.081 -12.841 1.00 6.97 C ATOM 2647 CD2 LEU A 170 29.436 4.770 -12.587 1.00 6.43 C ATOM 2648 HA LEU A 170 31.664 3.129 -10.488 1.00 0.00 H ATOM 2649 HB2 LEU A 170 30.294 5.808 -10.299 1.00 0.00 H ATOM 2650 HB3 LEU A 170 32.049 5.621 -10.518 1.00 0.00 H ATOM 2651 HG LEU A 170 31.107 6.078 -12.642 1.00 0.00 H ATOM 2652 HD21 LEU A 170 29.165 3.806 -12.157 1.00 0.00 H ATOM 2653 HD22 LEU A 170 28.780 5.544 -12.189 1.00 0.00 H ATOM 2654 HD23 LEU A 170 29.334 4.727 -13.671 1.00 0.00 H ATOM 2655 HD11 LEU A 170 32.859 4.375 -12.630 1.00 0.00 H ATOM 2656 HD12 LEU A 170 31.638 3.098 -12.411 1.00 0.00 H ATOM 2657 HD13 LEU A 170 31.676 4.045 -13.919 1.00 0.00 H ATOM 2658 H LEU A 170 28.874 3.965 -9.991 1.00 0.00 H ATOM 2659 N GLU A 171 30.611 3.919 -7.585 1.00 6.03 N ATOM 2660 CA GLU A 171 30.895 4.120 -6.167 1.00 6.27 C ATOM 2661 C GLU A 171 31.294 5.566 -5.895 1.00 6.70 C ATOM 2662 O GLU A 171 32.407 5.984 -6.212 1.00 6.90 O ATOM 2663 CB GLU A 171 31.991 3.171 -5.680 1.00 6.34 C ATOM 2664 CG GLU A 171 31.590 1.708 -5.696 1.00 6.31 C ATOM 2665 CD GLU A 171 32.691 0.810 -5.180 1.00 6.67 C ATOM 2666 OE1 GLU A 171 32.930 0.794 -3.957 1.00 6.97 O ATOM 2667 OE2 GLU A 171 33.316 0.099 -5.998 1.00 6.91 O ATOM 2668 HA GLU A 171 29.982 3.898 -5.614 1.00 0.00 H ATOM 2669 HB2 GLU A 171 32.863 3.295 -6.322 1.00 0.00 H ATOM 2670 HB3 GLU A 171 32.252 3.444 -4.658 1.00 0.00 H ATOM 2671 HG2 GLU A 171 30.708 1.578 -5.069 1.00 0.00 H ATOM 2672 HG3 GLU A 171 31.352 1.420 -6.720 1.00 0.00 H ATOM 2673 H GLU A 171 29.637 3.687 -7.865 1.00 0.00 H ATOM 2674 N HIS A 172 30.383 6.333 -5.313 1.00 7.18 N ATOM 2675 CA HIS A 172 30.657 7.738 -5.056 1.00 7.91 C ATOM 2676 C HIS A 172 31.467 7.904 -3.770 1.00 8.34 C ATOM 2677 O HIS A 172 32.376 8.733 -3.711 1.00 8.55 O ATOM 2678 CB HIS A 172 29.357 8.570 -5.025 1.00 8.43 C ATOM 2679 CG HIS A 172 28.511 8.435 -3.785 1.00 8.65 C ATOM 2680 ND1 HIS A 172 27.682 7.362 -3.538 1.00 8.91 N ATOM 2681 CD2 HIS A 172 28.340 9.280 -2.740 1.00 8.94 C ATOM 2682 CE1 HIS A 172 27.041 7.557 -2.401 1.00 9.32 C ATOM 2683 NE2 HIS A 172 27.421 8.712 -1.895 1.00 9.35 N ATOM 2684 HA HIS A 172 31.259 8.121 -5.880 1.00 0.00 H ATOM 2685 HB2 HIS A 172 29.631 9.620 -5.129 1.00 0.00 H ATOM 2686 HB3 HIS A 172 28.748 8.269 -5.878 1.00 0.00 H ATOM 2687 HD2 HIS A 172 28.842 10.237 -2.597 1.00 0.00 H ATOM 2688 HE1 HIS A 172 26.317 6.875 -1.955 1.00 0.00 H ATOM 2689 H HIS A 172 29.466 5.927 -5.038 1.00 0.00 H ATOM 2690 N HIS A 173 31.153 7.086 -2.758 1.00 8.71 N ATOM 2691 CA HIS A 173 31.834 7.144 -1.459 1.00 9.35 C ATOM 2692 C HIS A 173 31.920 8.578 -0.935 1.00 9.73 C ATOM 2693 O HIS A 173 31.121 9.439 -1.317 1.00 10.12 O ATOM 2694 CB HIS A 173 33.243 6.539 -1.559 1.00 9.85 C ATOM 2695 CG HIS A 173 33.258 5.050 -1.731 1.00 10.34 C ATOM 2696 ND1 HIS A 173 33.161 4.172 -0.677 1.00 10.84 N ATOM 2697 CD2 HIS A 173 33.357 4.287 -2.842 1.00 10.66 C ATOM 2698 CE1 HIS A 173 33.201 2.935 -1.130 1.00 11.40 C ATOM 2699 NE2 HIS A 173 33.318 2.975 -2.441 1.00 11.31 N ATOM 2700 HA HIS A 173 31.243 6.559 -0.754 1.00 0.00 H ATOM 2701 HB2 HIS A 173 33.749 6.988 -2.414 1.00 0.00 H ATOM 2702 HB3 HIS A 173 33.787 6.784 -0.647 1.00 0.00 H ATOM 2703 HD2 HIS A 173 33.450 4.647 -3.867 1.00 0.00 H ATOM 2704 HE1 HIS A 173 33.146 2.032 -0.522 1.00 0.00 H ATOM 2705 H HIS A 173 30.399 6.384 -2.897 1.00 0.00 H ATOM 2706 N HIS A 174 32.879 8.818 -0.038 1.00 9.86 N ATOM 2707 CA HIS A 174 33.172 10.162 0.466 1.00 10.40 C ATOM 2708 C HIS A 174 31.993 10.725 1.251 1.00 11.06 C ATOM 2709 O HIS A 174 31.881 11.938 1.437 1.00 11.27 O ATOM 2710 CB HIS A 174 33.528 11.110 -0.688 1.00 10.58 C ATOM 2711 CG HIS A 174 34.722 10.676 -1.480 1.00 10.83 C ATOM 2712 ND1 HIS A 174 34.628 10.043 -2.699 1.00 11.12 N ATOM 2713 CD2 HIS A 174 36.046 10.790 -1.220 1.00 11.10 C ATOM 2714 CE1 HIS A 174 35.839 9.783 -3.152 1.00 11.52 C ATOM 2715 NE2 HIS A 174 36.718 10.226 -2.275 1.00 11.52 N ATOM 2716 HA HIS A 174 34.028 10.082 1.136 1.00 0.00 H ATOM 2717 HB2 HIS A 174 32.672 11.170 -1.361 1.00 0.00 H ATOM 2718 HB3 HIS A 174 33.731 12.097 -0.272 1.00 0.00 H ATOM 2719 HD2 HIS A 174 36.494 11.245 -0.337 1.00 0.00 H ATOM 2720 HE1 HIS A 174 36.074 9.286 -4.093 1.00 0.00 H ATOM 2721 H HIS A 174 33.441 8.018 0.318 1.00 0.00 H ATOM 2722 N HIS A 175 31.133 9.840 1.729 1.00 11.59 N ATOM 2723 CA HIS A 175 29.937 10.248 2.442 1.00 12.41 C ATOM 2724 C HIS A 175 29.990 9.784 3.893 1.00 12.84 C ATOM 2725 O HIS A 175 29.813 8.599 4.186 1.00 13.21 O ATOM 2726 CB HIS A 175 28.695 9.684 1.745 1.00 12.99 C ATOM 2727 CG HIS A 175 27.399 10.160 2.326 1.00 13.51 C ATOM 2728 ND1 HIS A 175 26.426 9.304 2.795 1.00 13.89 N ATOM 2729 CD2 HIS A 175 26.907 11.411 2.488 1.00 13.89 C ATOM 2730 CE1 HIS A 175 25.392 10.008 3.217 1.00 14.46 C ATOM 2731 NE2 HIS A 175 25.660 11.286 3.043 1.00 14.48 N ATOM 2732 HA HIS A 175 29.882 11.337 2.436 1.00 0.00 H ATOM 2733 HB2 HIS A 175 28.728 9.977 0.696 1.00 0.00 H ATOM 2734 HB3 HIS A 175 28.725 8.597 1.819 1.00 0.00 H ATOM 2735 HD2 HIS A 175 27.409 12.343 2.226 1.00 0.00 H ATOM 2736 HE1 HIS A 175 24.473 9.601 3.638 1.00 0.00 H ATOM 2737 H HIS A 175 31.319 8.826 1.590 1.00 0.00 H ATOM 2738 N HIS A 176 30.246 10.720 4.793 1.00 12.98 N ATOM 2739 CA HIS A 176 30.279 10.424 6.219 1.00 13.55 C ATOM 2740 C HIS A 176 29.033 10.994 6.885 1.00 13.90 C ATOM 2741 O HIS A 176 28.422 11.927 6.364 1.00 14.09 O ATOM 2742 CB HIS A 176 31.552 10.992 6.874 1.00 13.99 C ATOM 2743 CG HIS A 176 31.619 12.496 6.930 1.00 14.45 C ATOM 2744 ND1 HIS A 176 32.201 13.267 5.944 1.00 14.88 N ATOM 2745 CD2 HIS A 176 31.186 13.367 7.873 1.00 14.71 C ATOM 2746 CE1 HIS A 176 32.123 14.540 6.280 1.00 15.37 C ATOM 2747 NE2 HIS A 176 31.512 14.626 7.443 1.00 15.28 N ATOM 2748 HA HIS A 176 30.295 9.342 6.352 1.00 0.00 H ATOM 2749 HB2 HIS A 176 31.607 10.612 7.894 1.00 0.00 H ATOM 2750 HB3 HIS A 176 32.413 10.635 6.308 1.00 0.00 H ATOM 2751 HD2 HIS A 176 30.674 13.113 8.801 1.00 0.00 H ATOM 2752 HE1 HIS A 176 32.500 15.378 5.694 1.00 0.00 H ATOM 2753 H HIS A 176 30.428 11.693 4.474 1.00 0.00 H ATOM 2754 N HIS A 177 28.660 10.447 8.030 1.00 14.14 N ATOM 2755 CA HIS A 177 27.458 10.890 8.716 1.00 14.65 C ATOM 2756 C HIS A 177 27.735 11.187 10.181 1.00 15.60 C ATOM 2757 O HIS A 177 28.324 10.377 10.897 1.00 16.02 O ATOM 2758 CB HIS A 177 26.327 9.855 8.579 1.00 14.60 C ATOM 2759 CG HIS A 177 26.621 8.502 9.169 1.00 14.47 C ATOM 2760 ND1 HIS A 177 27.263 7.502 8.475 1.00 14.51 N ATOM 2761 CD2 HIS A 177 26.339 7.986 10.389 1.00 14.51 C ATOM 2762 CE1 HIS A 177 27.363 6.432 9.239 1.00 14.56 C ATOM 2763 NE2 HIS A 177 26.809 6.697 10.407 1.00 14.56 N ATOM 2764 HA HIS A 177 27.133 11.815 8.240 1.00 0.00 H ATOM 2765 HB2 HIS A 177 25.442 10.254 9.075 1.00 0.00 H ATOM 2766 HB3 HIS A 177 26.118 9.722 7.518 1.00 0.00 H ATOM 2767 HD2 HIS A 177 25.832 8.500 11.206 1.00 0.00 H ATOM 2768 HE1 HIS A 177 27.826 5.487 8.954 1.00 0.00 H ATOM 2769 H HIS A 177 29.236 9.688 8.446 1.00 0.00 H ATOM 2770 N LEU A 178 27.336 12.368 10.612 1.00 16.06 N ATOM 2771 CA LEU A 178 27.419 12.736 12.015 1.00 17.08 C ATOM 2772 C LEU A 178 26.023 12.720 12.615 1.00 17.58 C ATOM 2773 O LEU A 178 25.833 12.970 13.806 1.00 17.74 O ATOM 2774 CB LEU A 178 28.049 14.122 12.177 1.00 17.47 C ATOM 2775 CG LEU A 178 29.451 14.278 11.578 1.00 17.56 C ATOM 2776 CD1 LEU A 178 29.989 15.675 11.838 1.00 17.99 C ATOM 2777 CD2 LEU A 178 30.397 13.228 12.142 1.00 17.68 C ATOM 2778 HA LEU A 178 28.051 12.017 12.536 1.00 0.00 H ATOM 2779 HB2 LEU A 178 27.394 14.848 11.696 1.00 0.00 H ATOM 2780 HB3 LEU A 178 28.112 14.341 13.243 1.00 0.00 H ATOM 2781 HG LEU A 178 29.381 14.131 10.500 1.00 0.00 H ATOM 2782 HD21 LEU A 178 30.461 13.342 13.224 1.00 0.00 H ATOM 2783 HD22 LEU A 178 30.019 12.234 11.902 1.00 0.00 H ATOM 2784 HD23 LEU A 178 31.386 13.358 11.703 1.00 0.00 H ATOM 2785 HD11 LEU A 178 29.325 16.409 11.382 1.00 0.00 H ATOM 2786 HD12 LEU A 178 30.041 15.849 12.913 1.00 0.00 H ATOM 2787 HD13 LEU A 178 30.985 15.766 11.405 1.00 0.00 H ATOM 2788 H LEU A 178 26.952 13.053 9.930 1.00 0.00 H ATOM 2789 N GLU A 179 25.049 12.415 11.767 1.00 17.95 N ATOM 2790 CA GLU A 179 23.656 12.359 12.172 1.00 18.57 C ATOM 2791 C GLU A 179 23.340 11.008 12.796 1.00 19.13 C ATOM 2792 O GLU A 179 23.944 9.996 12.439 1.00 19.11 O ATOM 2793 CB GLU A 179 22.747 12.595 10.967 1.00 18.91 C ATOM 2794 CG GLU A 179 23.058 13.876 10.212 1.00 18.77 C ATOM 2795 CD GLU A 179 22.160 14.074 9.012 1.00 18.94 C ATOM 2796 OE1 GLU A 179 22.360 13.379 7.995 1.00 18.93 O ATOM 2797 OE2 GLU A 179 21.247 14.923 9.079 1.00 19.19 O ATOM 2798 HA GLU A 179 23.480 13.140 12.911 1.00 0.00 H ATOM 2799 HB2 GLU A 179 22.858 11.755 10.281 1.00 0.00 H ATOM 2800 HB3 GLU A 179 21.716 12.643 11.317 1.00 0.00 H ATOM 2801 HG2 GLU A 179 22.929 14.721 10.889 1.00 0.00 H ATOM 2802 HG3 GLU A 179 24.093 13.839 9.872 1.00 0.00 H ATOM 2803 H GLU A 179 25.292 12.209 10.777 1.00 0.00 H ATOM 2804 N HIS A 180 22.408 10.999 13.734 1.00 19.74 N ATOM 2805 CA HIS A 180 21.992 9.766 14.383 1.00 20.41 C ATOM 2806 C HIS A 180 20.480 9.603 14.324 1.00 20.84 C ATOM 2807 O HIS A 180 19.757 10.180 15.138 1.00 21.13 O ATOM 2808 CB HIS A 180 22.469 9.728 15.838 1.00 21.03 C ATOM 2809 CG HIS A 180 23.945 9.532 15.985 1.00 21.37 C ATOM 2810 ND1 HIS A 180 24.765 10.418 16.648 1.00 21.96 N ATOM 2811 CD2 HIS A 180 24.747 8.530 15.560 1.00 21.34 C ATOM 2812 CE1 HIS A 180 26.004 9.972 16.620 1.00 22.26 C ATOM 2813 NE2 HIS A 180 26.022 8.828 15.967 1.00 21.90 N ATOM 2814 HA HIS A 180 22.451 8.937 13.845 1.00 0.00 H ATOM 2815 HB2 HIS A 180 22.198 10.671 16.313 1.00 0.00 H ATOM 2816 HB3 HIS A 180 21.961 8.908 16.345 1.00 0.00 H ATOM 2817 HD2 HIS A 180 24.437 7.649 14.998 1.00 0.00 H ATOM 2818 HE1 HIS A 180 26.869 10.466 17.063 1.00 0.00 H ATOM 2819 H HIS A 180 21.962 11.896 14.014 1.00 0.00 H ATOM 2820 N HIS A 181 20.018 8.836 13.337 1.00 20.99 N ATOM 2821 CA HIS A 181 18.594 8.525 13.173 1.00 21.54 C ATOM 2822 C HIS A 181 17.774 9.769 12.834 1.00 22.31 C ATOM 2823 O HIS A 181 18.315 10.856 12.621 1.00 22.51 O ATOM 2824 CB HIS A 181 18.023 7.868 14.437 1.00 21.37 C ATOM 2825 CG HIS A 181 18.492 6.466 14.669 1.00 21.01 C ATOM 2826 ND1 HIS A 181 19.489 6.142 15.559 1.00 20.83 N ATOM 2827 CD2 HIS A 181 18.073 5.296 14.136 1.00 20.92 C ATOM 2828 CE1 HIS A 181 19.665 4.837 15.561 1.00 20.64 C ATOM 2829 NE2 HIS A 181 18.817 4.294 14.707 1.00 20.70 N ATOM 2830 HA HIS A 181 18.521 7.826 12.339 1.00 0.00 H ATOM 2831 HB2 HIS A 181 18.313 8.472 15.297 1.00 0.00 H ATOM 2832 HB3 HIS A 181 16.936 7.855 14.354 1.00 0.00 H ATOM 2833 HD2 HIS A 181 17.288 5.172 13.390 1.00 0.00 H ATOM 2834 HE1 HIS A 181 20.391 4.295 16.167 1.00 0.00 H ATOM 2835 H HIS A 181 20.696 8.441 12.654 1.00 0.00 H ATOM 2836 N HIS A 182 16.461 9.590 12.773 1.00 22.83 N ATOM 2837 CA HIS A 182 15.544 10.694 12.550 1.00 23.69 C ATOM 2838 C HIS A 182 15.148 11.298 13.890 1.00 24.16 C ATOM 2839 O HIS A 182 14.636 10.602 14.764 1.00 24.40 O ATOM 2840 CB HIS A 182 14.298 10.207 11.795 1.00 24.01 C ATOM 2841 CG HIS A 182 13.298 11.287 11.502 1.00 24.24 C ATOM 2842 ND1 HIS A 182 12.173 11.505 12.270 1.00 24.67 N ATOM 2843 CD2 HIS A 182 13.257 12.208 10.511 1.00 24.22 C ATOM 2844 CE1 HIS A 182 11.485 12.511 11.763 1.00 24.89 C ATOM 2845 NE2 HIS A 182 12.121 12.957 10.696 1.00 24.63 N ATOM 2846 HA HIS A 182 16.036 11.455 11.944 1.00 0.00 H ATOM 2847 HB2 HIS A 182 14.619 9.772 10.849 1.00 0.00 H ATOM 2848 HB3 HIS A 182 13.809 9.442 12.398 1.00 0.00 H ATOM 2849 HD2 HIS A 182 13.990 12.332 9.714 1.00 0.00 H ATOM 2850 HE1 HIS A 182 10.550 12.907 12.159 1.00 0.00 H ATOM 2851 H HIS A 182 16.077 8.630 12.888 1.00 0.00 H ATOM 2852 N HIS A 183 15.403 12.582 14.057 1.00 24.38 N ATOM 2853 CA HIS A 183 15.070 13.265 15.297 1.00 24.93 C ATOM 2854 C HIS A 183 13.694 13.908 15.203 1.00 25.44 C ATOM 2855 O HIS A 183 13.209 14.202 14.109 1.00 25.58 O ATOM 2856 CB HIS A 183 16.128 14.315 15.635 1.00 25.08 C ATOM 2857 CG HIS A 183 17.450 13.721 16.010 1.00 25.22 C ATOM 2858 ND1 HIS A 183 18.575 13.816 15.223 1.00 25.36 N ATOM 2859 CD2 HIS A 183 17.820 13.018 17.106 1.00 25.35 C ATOM 2860 CE1 HIS A 183 19.576 13.198 15.817 1.00 25.56 C ATOM 2861 NE2 HIS A 183 19.147 12.705 16.960 1.00 25.56 N ATOM 2862 HA HIS A 183 15.050 12.526 16.098 1.00 0.00 H ATOM 2863 HB2 HIS A 183 16.270 14.956 14.765 1.00 0.00 H ATOM 2864 HB3 HIS A 183 15.767 14.914 16.471 1.00 0.00 H ATOM 2865 HD2 HIS A 183 17.182 12.750 17.948 1.00 0.00 H ATOM 2866 HE1 HIS A 183 20.590 13.110 15.427 1.00 0.00 H ATOM 2867 H HIS A 183 15.851 13.117 13.286 1.00 0.00 H ATOM 2868 N HIS A 184 13.067 14.114 16.351 1.00 25.80 N ATOM 2869 CA HIS A 184 11.728 14.683 16.399 1.00 26.40 C ATOM 2870 C HIS A 184 11.712 15.922 17.285 1.00 26.96 C ATOM 2871 O HIS A 184 12.703 16.232 17.945 1.00 27.37 O ATOM 2872 CB HIS A 184 10.716 13.647 16.918 1.00 26.76 C ATOM 2873 CG HIS A 184 10.901 13.266 18.360 1.00 26.84 C ATOM 2874 ND1 HIS A 184 11.724 12.242 18.771 1.00 26.92 N ATOM 2875 CD2 HIS A 184 10.359 13.781 19.491 1.00 26.96 C ATOM 2876 CE1 HIS A 184 11.681 12.144 20.087 1.00 27.09 C ATOM 2877 NE2 HIS A 184 10.863 13.066 20.546 1.00 27.11 N ATOM 2878 HA HIS A 184 11.441 14.970 15.387 1.00 0.00 H ATOM 2879 HB2 HIS A 184 9.714 14.060 16.800 1.00 0.00 H ATOM 2880 HB3 HIS A 184 10.810 12.746 16.312 1.00 0.00 H ATOM 2881 HD2 HIS A 184 9.653 14.610 19.550 1.00 0.00 H ATOM 2882 HE1 HIS A 184 12.230 11.422 20.691 1.00 0.00 H ATOM 2883 H HIS A 184 13.543 13.863 17.241 1.00 0.00 H ATOM 2884 N HIS A 185 10.582 16.610 17.311 1.00 27.04 N ATOM 2885 CA HIS A 185 10.432 17.797 18.139 1.00 27.63 C ATOM 2886 C HIS A 185 9.121 17.740 18.915 1.00 27.78 C ATOM 2887 O HIS A 185 8.218 18.558 18.648 1.00 27.59 O ATOM 2888 CB HIS A 185 10.516 19.076 17.288 1.00 28.05 C ATOM 2889 CG HIS A 185 9.666 19.061 16.048 1.00 28.32 C ATOM 2890 ND1 HIS A 185 8.377 19.540 16.010 1.00 28.85 N ATOM 2891 CD2 HIS A 185 9.941 18.631 14.794 1.00 28.21 C ATOM 2892 CE1 HIS A 185 7.896 19.404 14.791 1.00 29.06 C ATOM 2893 NE2 HIS A 185 8.825 18.858 14.030 1.00 28.68 N ATOM 2894 HA HIS A 185 11.253 17.823 18.856 1.00 0.00 H ATOM 2895 OXT HIS A 185 8.990 16.858 19.783 1.00 28.16 O ATOM 2896 HB2 HIS A 185 10.201 19.917 17.906 1.00 0.00 H ATOM 2897 HB3 HIS A 185 11.554 19.217 16.987 1.00 0.00 H ATOM 2898 HD2 HIS A 185 10.877 18.187 14.454 1.00 0.00 H ATOM 2899 HE1 HIS A 185 6.897 19.694 14.466 1.00 0.00 H ATOM 2900 H HIS A 185 9.782 16.295 16.726 1.00 0.00 H TER 2901 HIS A 185 HETATM 2902 C ACE A 1 -19.323 -15.319 -1.152 1.00 0.17 C HETATM 2903 O ACE A 1 -19.522 -16.164 -2.029 1.00 -0.40 O HETATM 2904 CH3 ACE A 1 -20.384 -14.272 -0.872 1.00 0.03 C HETATM 2905 H ACE A 1 -20.563 -13.688 -1.774 1.00 0.05 H HETATM 2906 H ACE A 1 -21.307 -14.765 -0.568 1.00 0.05 H HETATM 2907 H ACE A 1 -20.041 -13.614 -0.073 1.00 0.05 H HETATM 2908 N ACE A 1 -18.202 -15.294 -0.446 1.00 -0.27 N HETATM 2909 CA ACE A 1 -17.164 -16.278 -0.661 1.00 0.12 C HETATM 2910 C ACE A 1 -15.881 -15.649 -1.162 1.00 0.20 C HETATM 2911 O ACE A 1 -15.890 -14.504 -1.616 1.00 -0.39 O HETATM 2912 N ACE A 1 -14.781 -16.395 -1.070 1.00 -0.26 N HETATM 2913 CA ACE A 1 -13.477 -15.930 -1.544 1.00 0.14 C HETATM 2914 C ACE A 1 -13.000 -14.743 -0.732 1.00 0.20 C HETATM 2915 O ACE A 1 -13.165 -14.725 0.484 1.00 -0.39 O HETATM 2916 N ACE A 1 -12.392 -13.775 -1.440 1.00 -0.26 N HETATM 2917 CA ACE A 1 -11.935 -12.493 -0.904 1.00 0.13 C HETATM 2918 C ACE A 1 -11.281 -12.581 0.466 1.00 0.20 C HETATM 2919 O ACE A 1 -10.060 -12.527 0.529 1.00 -0.39 O HETATM 2920 N ACE A 1 -12.045 -12.677 1.554 1.00 -0.27 N HETATM 2921 CA ACE A 1 -11.434 -13.002 2.811 1.00 0.12 C HETATM 2922 C ACE A 1 -10.421 -14.123 2.631 1.00 0.20 C HETATM 2923 O ACE A 1 -9.226 -13.911 2.795 1.00 -0.39 O HETATM 2924 N ACE A 1 -10.897 -15.287 2.201 1.00 -0.26 N HETATM 2925 CA ACE A 1 -10.030 -16.437 1.936 1.00 0.13 C HETATM 2926 C ACE A 1 -9.005 -16.139 0.843 1.00 0.20 C HETATM 2927 O ACE A 1 -7.838 -16.504 0.960 1.00 -0.39 O HETATM 2928 N ACE A 1 -9.447 -15.469 -0.213 1.00 -0.26 N HETATM 2929 CA ACE A 1 -8.619 -15.280 -1.398 1.00 0.13 C HETATM 2930 C ACE A 1 -7.467 -14.310 -1.152 1.00 0.20 C HETATM 2931 O ACE A 1 -6.324 -14.621 -1.467 1.00 -0.39 O HETATM 2932 N ACE A 1 -7.760 -13.148 -0.586 1.00 -0.26 N HETATM 2933 CA ACE A 1 -6.727 -12.146 -0.346 1.00 0.13 C HETATM 2934 C ACE A 1 -5.839 -12.566 0.820 1.00 0.20 C HETATM 2935 O ACE A 1 -4.642 -12.288 0.825 1.00 -0.39 O HETATM 2936 N ACE A 1 -6.441 -13.221 1.811 1.00 -0.26 N HETATM 2937 CA ACE A 1 -5.689 -13.893 2.868 1.00 0.13 C HETATM 2938 C ACE A 1 -4.565 -14.735 2.268 1.00 0.20 C HETATM 2939 O ACE A 1 -3.415 -14.702 2.713 1.00 -0.39 O HETATM 2940 N ACE A 1 -4.947 -15.502 1.249 1.00 -0.26 N HETATM 2941 CA ACE A 1 -4.075 -16.471 0.604 1.00 0.13 C HETATM 2942 C ACE A 1 -3.125 -15.809 -0.387 1.00 0.20 C HETATM 2943 O ACE A 1 -1.905 -15.919 -0.260 1.00 -0.39 O HETATM 2944 N ACE A 1 -3.693 -15.121 -1.373 1.00 -0.26 N HETATM 2945 CA ACE A 1 -2.907 -14.460 -2.412 1.00 0.14 C HETATM 2946 C ACE A 1 -1.995 -13.394 -1.817 1.00 0.21 C HETATM 2947 O ACE A 1 -1.014 -12.981 -2.439 1.00 -0.39 O HETATM 2948 N ACE A 1 -2.320 -12.963 -0.608 1.00 -0.27 N HETATM 2949 CA ACE A 1 -1.549 -11.937 0.047 1.00 0.12 C HETATM 2950 C ACE A 1 -0.216 -12.431 0.555 1.00 0.20 C HETATM 2951 O ACE A 1 0.728 -11.653 0.687 1.00 -0.39 O HETATM 2952 N ACE A 1 -0.121 -13.725 0.818 1.00 -0.26 N HETATM 2953 CA ACE A 1 1.126 -14.308 1.299 1.00 0.14 C HETATM 2954 C ACE A 1 2.122 -14.472 0.146 1.00 0.21 C HETATM 2955 O ACE A 1 3.212 -15.024 0.312 1.00 -0.39 O HETATM 2956 N ACE A 1 1.749 -13.964 -1.023 1.00 -0.26 N HETATM 2957 CA ACE A 1 2.588 -14.075 -2.208 1.00 0.14 C HETATM 2958 C ACE A 1 3.331 -12.768 -2.480 1.00 0.20 C HETATM 2959 O ACE A 1 4.027 -12.643 -3.488 1.00 -0.39 O HETATM 2960 N ACE A 1 3.188 -11.795 -1.582 1.00 -0.26 N HETATM 2961 CA ACE A 1 3.875 -10.517 -1.735 1.00 0.13 C HETATM 2962 C ACE A 1 5.327 -10.646 -1.282 1.00 0.20 C HETATM 2963 O ACE A 1 5.740 -10.103 -0.254 1.00 -0.39 O HETATM 2964 N ACE A 1 6.074 -11.422 -2.052 1.00 -0.26 N HETATM 2965 CA ACE A 1 7.487 -11.669 -1.811 1.00 0.15 C HETATM 2966 C ACE A 1 7.995 -12.567 -2.927 1.00 0.21 C HETATM 2967 O ACE A 1 8.980 -12.259 -3.601 1.00 -0.39 O HETATM 2968 N ACE A 1 7.280 -13.666 -3.131 1.00 -0.26 N HETATM 2969 CA ACE A 1 7.561 -14.588 -4.217 1.00 0.13 C HETATM 2970 C ACE A 1 6.264 -14.983 -4.917 1.00 0.20 C HETATM 2971 O ACE A 1 5.521 -15.839 -4.437 1.00 -0.39 O HETATM 2972 N ACE A 1 5.978 -14.337 -6.033 1.00 -0.30 N HETATM 2973 H ACE A 1 5.112 -14.540 -6.532 1.00 0.18 H HETATM 2974 H ACE A 1 6.623 -13.635 -6.395 1.00 0.18 H HETATM 2975 CB ACE A 1 8.271 -15.834 -3.692 1.00 -0.01 C HETATM 2976 CG ACE A 1 8.674 -16.810 -4.785 1.00 -0.02 C HETATM 2977 CD ACE A 1 9.408 -18.010 -4.217 1.00 0.06 C HETATM 2978 NE ACE A 1 10.611 -17.619 -3.486 1.00 -0.27 N HETATM 2979 CZ ACE A 1 11.629 -18.437 -3.236 1.00 0.29 C HETATM 2980 NH1 ACE A 1 11.604 -19.692 -3.671 1.00 -0.28 N HETATM 2981 H ACE A 1 10.801 -20.033 -4.200 1.00 0.26 H HETATM 2982 H ACE A 1 12.388 -20.315 -3.476 1.00 0.26 H HETATM 2983 NH2 ACE A 1 12.675 -17.995 -2.553 1.00 -0.28 N HETATM 2984 H ACE A 1 12.697 -17.031 -2.221 1.00 0.26 H HETATM 2985 H ACE A 1 13.458 -18.619 -2.359 1.00 0.26 H HETATM 2986 H ACE A 1 10.674 -16.659 -3.147 1.00 0.26 H HETATM 2987 H ACE A 1 9.706 -18.651 -5.046 1.00 0.07 H HETATM 2988 H ACE A 1 8.740 -18.523 -3.525 1.00 0.07 H HETATM 2989 H ACE A 1 9.339 -16.296 -5.479 1.00 0.03 H HETATM 2990 H ACE A 1 7.771 -17.162 -5.283 1.00 0.03 H HETATM 2991 H ACE A 1 7.576 -16.352 -3.031 1.00 0.03 H HETATM 2992 H ACE A 1 9.183 -15.505 -3.195 1.00 0.03 H HETATM 2993 H ACE A 1 8.215 -14.091 -4.933 1.00 0.08 H HETATM 2994 H ACE A 1 6.504 -13.871 -2.502 1.00 0.19 H HETATM 2995 CB ACE A 1 7.706 -12.345 -0.448 1.00 0.08 C HETATM 2996 CG ACE A 1 9.144 -12.249 0.037 1.00 0.18 C HETATM 2997 OD1 ACE A 1 10.081 -12.146 -0.755 1.00 -0.40 O HETATM 2998 ND2 ACE A 1 9.325 -12.293 1.348 1.00 -0.30 N HETATM 2999 H ACE A 1 10.267 -12.241 1.735 1.00 0.18 H HETATM 3000 H ACE A 1 8.522 -12.379 1.971 1.00 0.18 H HETATM 3001 H ACE A 1 7.462 -13.402 -0.558 1.00 0.06 H HETATM 3002 H ACE A 1 7.075 -11.837 0.281 1.00 0.06 H HETATM 3003 H ACE A 1 8.030 -10.724 -1.796 1.00 0.08 H HETATM 3004 H ACE A 1 5.636 -11.870 -2.857 1.00 0.19 H HETATM 3005 CB ACE A 1 3.167 -9.385 -0.959 1.00 -0.00 C HETATM 3006 CG1 ACE A 1 1.691 -9.336 -1.364 1.00 -0.05 C HETATM 3007 CD1 ACE A 1 0.876 -8.328 -0.589 1.00 -0.06 C HETATM 3008 H ACE A 1 0.912 -8.573 0.472 1.00 0.02 H HETATM 3009 H ACE A 1 1.288 -7.331 -0.747 1.00 0.02 H HETATM 3010 H ACE A 1 -0.157 -8.355 -0.935 1.00 0.02 H HETATM 3011 H ACE A 1 1.267 -10.319 -1.162 1.00 0.03 H HETATM 3012 H ACE A 1 1.653 -9.045 -2.414 1.00 0.03 H HETATM 3013 CG2 ACE A 1 3.839 -8.040 -1.238 1.00 -0.06 C HETATM 3014 H ACE A 1 4.882 -8.085 -0.925 1.00 0.02 H HETATM 3015 H ACE A 1 3.787 -7.824 -2.305 1.00 0.02 H HETATM 3016 H ACE A 1 3.325 -7.256 -0.682 1.00 0.02 H HETATM 3017 H ACE A 1 3.241 -9.586 0.110 1.00 0.03 H HETATM 3018 H ACE A 1 3.849 -10.251 -2.792 1.00 0.08 H HETATM 3019 H ACE A 1 2.587 -11.946 -0.772 1.00 0.19 H HETATM 3020 CB ACE A 1 1.742 -14.448 -3.423 1.00 0.04 C HETATM 3021 SG ACE A 1 0.671 -15.899 -3.168 1.00 -0.13 S HETATM 3022 C20 ACE A 1 1.887 -17.165 -2.735 1.00 0.09 C HETATM 3023 C19 ACE A 1 1.200 -18.516 -2.548 1.00 0.22 C HETATM 3024 N18 ACE A 1 0.341 -18.834 -3.510 1.00 -0.23 N HETATM 3025 C17 ACE A 1 -0.950 -18.899 -3.204 1.00 0.10 C HETATM 3026 C15 ACE A 1 -1.364 -19.150 -1.895 1.00 -0.03 C HETATM 3027 C13 ACE A 1 -2.724 -19.162 -1.591 1.00 -0.05 C HETATM 3028 C12 ACE A 1 -3.658 -18.919 -2.596 1.00 0.06 C HETATM 3029 N11 ACE A 1 -4.963 -18.911 -2.348 1.00 -0.20 N HETATM 3030 N10 ACE A 1 -5.715 -18.692 -3.293 1.00 -0.20 N HETATM 3031 C9 ACE A 1 -7.039 -18.646 -3.171 1.00 0.06 C HETATM 3032 C7 ACE A 1 -7.665 -18.859 -1.948 1.00 -0.05 C HETATM 3033 C5 ACE A 1 -9.059 -18.859 -1.874 1.00 -0.03 C HETATM 3034 C4 ACE A 1 -9.823 -18.655 -3.030 1.00 0.10 C HETATM 3035 N3 ACE A 1 -11.155 -18.689 -2.939 1.00 -0.23 N HETATM 3036 C2 ACE A 1 -11.884 -17.830 -3.637 1.00 0.22 C HETATM 3037 C1 ACE A 1 -13.370 -18.192 -3.754 1.00 0.09 C HETATM 3038 SG ACE A 1 -14.389 -16.734 -4.076 1.00 -0.13 S HETATM 3039 CB ACE A 1 -13.546 -15.530 -3.011 1.00 0.04 C HETATM 3040 H ACE A 1 -12.520 -15.448 -3.369 1.00 0.04 H HETATM 3041 H ACE A 1 -14.115 -14.602 -3.063 1.00 0.04 H HETATM 3042 H ACE A 1 -13.490 -18.886 -4.586 1.00 0.06 H HETATM 3043 H ACE A 1 -13.691 -18.634 -2.811 1.00 0.06 H HETATM 3044 O2 ACE A 1 -11.433 -16.804 -4.144 1.00 -0.38 O HETATM 3045 H ACE A 1 -11.610 -19.373 -2.335 1.00 0.23 H HETATM 3046 C6 ACE A 1 -9.174 -18.432 -4.260 1.00 0.08 C HETATM 3047 S6 ACE A 1 -10.047 -18.240 -5.777 1.00 -0.17 S HETATM 3048 O61 ACE A 1 -9.315 -18.986 -6.860 1.00 -0.48 O HETATM 3049 O62 ACE A 1 -11.434 -18.806 -5.686 1.00 -0.48 O HETATM 3050 O63 ACE A 1 -10.120 -16.788 -6.146 1.00 -0.48 O HETATM 3051 C8 ACE A 1 -7.791 -18.423 -4.308 1.00 -0.02 C HETATM 3052 H ACE A 1 -7.288 -18.237 -5.257 1.00 0.06 H HETATM 3053 H ACE A 1 -9.553 -19.018 -0.916 1.00 0.05 H HETATM 3054 H ACE A 1 -7.069 -19.025 -1.050 1.00 0.06 H HETATM 3055 C14 ACE A 1 -3.238 -18.675 -3.883 1.00 -0.02 C HETATM 3056 C16 ACE A 1 -1.890 -18.665 -4.194 1.00 0.08 C HETATM 3057 S17 ACE A 1 -1.370 -18.346 -5.831 1.00 -0.17 S HETATM 3058 O71 ACE A 1 -0.365 -19.378 -6.256 1.00 -0.48 O HETATM 3059 O72 ACE A 1 -0.753 -16.977 -5.909 1.00 -0.48 O HETATM 3060 O73 ACE A 1 -2.548 -18.410 -6.755 1.00 -0.48 O HETATM 3061 H ACE A 1 -3.974 -18.488 -4.665 1.00 0.06 H HETATM 3062 H ACE A 1 -3.055 -19.361 -0.572 1.00 0.06 H HETATM 3063 H ACE A 1 -0.627 -19.336 -1.114 1.00 0.05 H HETATM 3064 H ACE A 1 0.664 -19.023 -4.459 1.00 0.23 H HETATM 3065 O19 ACE A 1 1.445 -19.228 -1.575 1.00 -0.38 O HETATM 3066 H ACE A 1 2.378 -16.883 -1.804 1.00 0.06 H HETATM 3067 H ACE A 1 2.619 -17.246 -3.539 1.00 0.06 H HETATM 3068 H ACE A 1 2.430 -14.694 -4.232 1.00 0.04 H HETATM 3069 H ACE A 1 1.091 -13.600 -3.635 1.00 0.04 H HETATM 3070 H ACE A 1 3.323 -14.859 -2.025 1.00 0.08 H HETATM 3071 H ACE A 1 0.852 -13.484 -1.093 1.00 0.19 H HETATM 3072 CB ACE A 1 0.858 -15.656 1.980 1.00 0.04 C HETATM 3073 CG ACE A 1 2.056 -16.161 2.762 1.00 0.04 C HETATM 3074 OD1 ACE A 1 2.495 -15.469 3.706 1.00 -0.57 O HETATM 3075 OD2 ACE A 1 2.563 -17.259 2.442 1.00 -0.57 O HETATM 3076 H ACE A 1 0.632 -16.386 1.203 1.00 0.05 H HETATM 3077 H ACE A 1 0.033 -15.521 2.679 1.00 0.05 H HETATM 3078 H ACE A 1 1.564 -13.633 2.034 1.00 0.08 H HETATM 3079 H ACE A 1 -0.935 -14.325 0.682 1.00 0.19 H HETATM 3080 H ACE A 1 -2.123 -11.589 0.906 1.00 0.08 H HETATM 3081 H ACE A 1 -1.355 -11.152 -0.683 1.00 0.08 H HETATM 3082 H ACE A 1 -3.129 -13.364 -0.133 1.00 0.19 H HETATM 3083 CB ACE A 1 -3.825 -13.824 -3.462 1.00 0.02 C HETATM 3084 CG ACE A 1 -4.353 -14.786 -4.491 1.00 -0.04 C HETATM 3085 CD1 ACE A 1 -3.559 -15.165 -5.560 1.00 -0.06 C HETATM 3086 CE1 ACE A 1 -4.034 -16.035 -6.520 1.00 -0.07 C HETATM 3087 CZ ACE A 1 -5.318 -16.533 -6.424 1.00 -0.07 C HETATM 3088 CE2 ACE A 1 -6.122 -16.160 -5.366 1.00 -0.07 C HETATM 3089 CD2 ACE A 1 -5.642 -15.296 -4.409 1.00 -0.06 C HETATM 3090 H ACE A 1 -6.282 -15.008 -3.575 1.00 0.06 H HETATM 3091 H ACE A 1 -7.137 -16.550 -5.289 1.00 0.06 H HETATM 3092 H ACE A 1 -5.696 -17.219 -7.182 1.00 0.06 H HETATM 3093 H ACE A 1 -3.396 -16.329 -7.354 1.00 0.06 H HETATM 3094 H ACE A 1 -2.546 -14.771 -5.644 1.00 0.06 H HETATM 3095 H ACE A 1 -3.234 -13.079 -3.994 1.00 0.05 H HETATM 3096 H ACE A 1 -4.686 -13.420 -2.931 1.00 0.05 H HETATM 3097 H ACE A 1 -2.289 -15.220 -2.890 1.00 0.08 H HETATM 3098 H ACE A 1 -4.710 -15.053 -1.405 1.00 0.19 H HETATM 3099 CB ACE A 1 -4.928 -17.503 -0.110 1.00 -0.02 C HETATM 3100 H ACE A 1 -5.568 -18.008 0.614 1.00 0.03 H HETATM 3101 H ACE A 1 -5.545 -17.007 -0.859 1.00 0.03 H HETATM 3102 H ACE A 1 -4.281 -18.233 -0.596 1.00 0.03 H HETATM 3103 H ACE A 1 -3.465 -16.947 1.371 1.00 0.08 H HETATM 3104 H ACE A 1 -5.901 -15.405 0.902 1.00 0.19 H HETATM 3105 CB ACE A 1 -6.587 -14.824 3.645 1.00 -0.02 C HETATM 3106 H ACE A 1 -7.398 -14.252 4.095 1.00 0.03 H HETATM 3107 H ACE A 1 -7.000 -15.575 2.971 1.00 0.03 H HETATM 3108 H ACE A 1 -6.009 -15.315 4.428 1.00 0.03 H HETATM 3109 H ACE A 1 -5.282 -13.122 3.522 1.00 0.08 H HETATM 3110 H ACE A 1 -7.460 -13.255 1.833 1.00 0.19 H HETATM 3111 CB ACE A 1 -7.331 -10.759 -0.087 1.00 -0.01 C HETATM 3112 CG ACE A 1 -7.975 -10.064 -1.300 1.00 -0.04 C HETATM 3113 CD1 ACE A 1 -7.151 -10.313 -2.543 1.00 -0.06 C HETATM 3114 H ACE A 1 -6.146 -9.917 -2.396 1.00 0.02 H HETATM 3115 H ACE A 1 -7.097 -11.385 -2.733 1.00 0.02 H HETATM 3116 H ACE A 1 -7.618 -9.816 -3.393 1.00 0.02 H HETATM 3117 CD2 ACE A 1 -9.412 -10.516 -1.521 1.00 -0.06 C HETATM 3118 H ACE A 1 -9.430 -11.592 -1.695 1.00 0.02 H HETATM 3119 H ACE A 1 -10.006 -10.280 -0.638 1.00 0.02 H HETATM 3120 H ACE A 1 -9.825 -9.999 -2.387 1.00 0.02 H HETATM 3121 H ACE A 1 -7.998 -8.995 -1.090 1.00 0.03 H HETATM 3122 H ACE A 1 -6.506 -10.120 0.228 1.00 0.03 H HETATM 3123 H ACE A 1 -8.129 -10.905 0.641 1.00 0.03 H HETATM 3124 H ACE A 1 -6.118 -12.077 -1.248 1.00 0.08 H HETATM 3125 H ACE A 1 -8.723 -12.951 -0.314 1.00 0.19 H HETATM 3126 CB ACE A 1 -9.467 -14.818 -2.569 1.00 -0.02 C HETATM 3127 H ACE A 1 -10.228 -15.568 -2.783 1.00 0.03 H HETATM 3128 H ACE A 1 -9.948 -13.873 -2.317 1.00 0.03 H HETATM 3129 H ACE A 1 -8.832 -14.682 -3.445 1.00 0.03 H HETATM 3130 H ACE A 1 -8.176 -16.246 -1.639 1.00 0.08 H HETATM 3131 H ACE A 1 -10.388 -15.077 -0.196 1.00 0.19 H HETATM 3132 CB ACE A 1 -10.869 -17.641 1.506 1.00 -0.01 C HETATM 3133 CG ACE A 1 -11.003 -18.718 2.565 1.00 -0.02 C HETATM 3134 CD ACE A 1 -11.526 -18.159 3.873 1.00 0.06 C HETATM 3135 NE ACE A 1 -11.969 -19.220 4.777 1.00 -0.27 N HETATM 3136 CZ ACE A 1 -12.072 -19.099 6.103 1.00 0.29 C HETATM 3137 NH1 ACE A 1 -11.665 -17.999 6.723 1.00 -0.28 N HETATM 3138 H ACE A 1 -11.266 -17.229 6.186 1.00 0.26 H HETATM 3139 H ACE A 1 -11.751 -17.923 7.737 1.00 0.26 H HETATM 3140 NH2 ACE A 1 -12.558 -20.104 6.818 1.00 -0.28 N HETATM 3141 H ACE A 1 -12.851 -20.964 6.355 1.00 0.26 H HETATM 3142 H ACE A 1 -12.639 -20.017 7.831 1.00 0.26 H HETATM 3143 H ACE A 1 -12.218 -20.119 4.364 1.00 0.26 H HETATM 3144 H ACE A 1 -12.379 -17.516 3.655 1.00 0.07 H HETATM 3145 H ACE A 1 -10.719 -17.609 4.358 1.00 0.07 H HETATM 3146 H ACE A 1 -10.017 -19.146 2.745 1.00 0.03 H HETATM 3147 H ACE A 1 -11.709 -19.466 2.205 1.00 0.03 H HETATM 3148 H ACE A 1 -10.367 -18.093 0.651 1.00 0.03 H HETATM 3149 H ACE A 1 -11.873 -17.273 1.294 1.00 0.03 H HETATM 3150 H ACE A 1 -9.497 -16.656 2.861 1.00 0.08 H HETATM 3151 H ACE A 1 -11.901 -15.383 2.050 1.00 0.19 H HETATM 3152 H ACE A 1 -12.206 -13.328 3.508 1.00 0.08 H HETATM 3153 H ACE A 1 -10.924 -12.120 3.197 1.00 0.08 H HETATM 3154 H ACE A 1 -13.051 -12.521 1.494 1.00 0.19 H HETATM 3155 CB ACE A 1 -13.013 -11.416 -0.973 1.00 -0.01 C HETATM 3156 CG1 ACE A 1 -13.095 -10.877 -2.383 1.00 -0.06 C HETATM 3157 H ACE A 1 -12.133 -10.448 -2.663 1.00 0.02 H HETATM 3158 H ACE A 1 -13.346 -11.688 -3.067 1.00 0.02 H HETATM 3159 H ACE A 1 -13.865 -10.107 -2.432 1.00 0.02 H HETATM 3160 CG2 ACE A 1 -14.329 -11.982 -0.587 1.00 -0.06 C HETATM 3161 H ACE A 1 -14.589 -12.792 -1.269 1.00 0.02 H HETATM 3162 H ACE A 1 -14.273 -12.367 0.431 1.00 0.02 H HETATM 3163 H ACE A 1 -15.088 -11.202 -0.641 1.00 0.02 H HETATM 3164 H ACE A 1 -12.755 -10.612 -0.283 1.00 0.03 H HETATM 3165 H ACE A 1 -11.131 -12.182 -1.571 1.00 0.08 H HETATM 3166 H ACE A 1 -12.237 -13.949 -2.433 1.00 0.19 H HETATM 3167 H ACE A 1 -12.774 -16.754 -1.426 1.00 0.08 H HETATM 3168 H ACE A 1 -14.850 -17.324 -0.654 1.00 0.19 H HETATM 3169 H ACE A 1 -17.514 -16.984 -1.414 1.00 0.08 H HETATM 3170 H ACE A 1 -16.955 -16.767 0.291 1.00 0.08 H HETATM 3171 H ACE A 1 -18.069 -14.570 0.260 1.00 0.19 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 2902 2903 2904 2908 CONECT 2903 2902 CONECT 2904 2902 2905 2906 2907 CONECT 2905 2904 CONECT 2906 2904 CONECT 2907 2904 CONECT 2908 2902 2909 3171 CONECT 2909 2908 2910 3169 3170 CONECT 2910 2909 2911 2912 CONECT 2911 2910 CONECT 2912 2910 2913 3168 CONECT 2913 2912 2914 3039 3167 CONECT 2914 2913 2915 2916 CONECT 2915 2914 CONECT 2916 2914 2917 3166 CONECT 2917 2916 2918 3155 3165 CONECT 2918 2917 2919 2920 CONECT 2919 2918 CONECT 2920 2918 2921 3154 CONECT 2921 2920 2922 3152 3153 CONECT 2922 2921 2923 2924 CONECT 2923 2922 CONECT 2924 2922 2925 3151 CONECT 2925 2924 2926 3132 3150 CONECT 2926 2925 2927 2928 CONECT 2927 2926 CONECT 2928 2926 2929 3131 CONECT 2929 2928 2930 3126 3130 CONECT 2930 2929 2931 2932 CONECT 2931 2930 CONECT 2932 2930 2933 3125 CONECT 2933 2932 2934 3111 3124 CONECT 2934 2933 2935 2936 CONECT 2935 2934 CONECT 2936 2934 2937 3110 CONECT 2937 2936 2938 3105 3109 CONECT 2938 2937 2939 2940 CONECT 2939 2938 CONECT 2940 2938 2941 3104 CONECT 2941 2940 2942 3099 3103 CONECT 2942 2941 2943 2944 CONECT 2943 2942 CONECT 2944 2942 2945 3098 CONECT 2945 2944 2946 3083 3097 CONECT 2946 2945 2947 2948 CONECT 2947 2946 CONECT 2948 2946 2949 3082 CONECT 2949 2948 2950 3080 3081 CONECT 2950 2949 2951 2952 CONECT 2951 2950 CONECT 2952 2950 2953 3079 CONECT 2953 2952 2954 3072 3078 CONECT 2954 2953 2955 2956 CONECT 2955 2954 CONECT 2956 2954 2957 3071 CONECT 2957 2956 2958 3020 3070 CONECT 2958 2957 2959 2960 CONECT 2959 2958 CONECT 2960 2958 2961 3019 CONECT 2961 2960 2962 3005 3018 CONECT 2962 2961 2963 2964 CONECT 2963 2962 CONECT 2964 2962 2965 3004 CONECT 2965 2964 2966 2995 3003 CONECT 2966 2965 2967 2968 CONECT 2967 2966 CONECT 2968 2966 2969 2994 CONECT 2969 2968 2970 2975 2993 CONECT 2970 2969 2971 2972 CONECT 2971 2970 CONECT 2972 2970 2973 2974 CONECT 2973 2972 CONECT 2974 2972 CONECT 2975 2969 2976 2991 2992 CONECT 2976 2975 2977 2989 2990 CONECT 2977 2976 2978 2987 2988 CONECT 2978 2977 2979 2986 CONECT 2979 2978 2980 2983 CONECT 2980 2979 2981 2982 CONECT 2981 2980 CONECT 2982 2980 CONECT 2983 2979 2984 2985 CONECT 2984 2983 CONECT 2985 2983 CONECT 2986 2978 CONECT 2987 2977 CONECT 2988 2977 CONECT 2989 2976 CONECT 2990 2976 CONECT 2991 2975 CONECT 2992 2975 CONECT 2993 2969 CONECT 2994 2968 CONECT 2995 2965 2996 3001 3002 CONECT 2996 2995 2997 2998 CONECT 2997 2996 CONECT 2998 2996 2999 3000 CONECT 2999 2998 CONECT 3000 2998 CONECT 3001 2995 CONECT 3002 2995 CONECT 3003 2965 CONECT 3004 2964 CONECT 3005 2961 3006 3013 3017 CONECT 3006 3005 3007 3011 3012 CONECT 3007 3006 3008 3009 3010 CONECT 3008 3007 CONECT 3009 3007 CONECT 3010 3007 CONECT 3011 3006 CONECT 3012 3006 CONECT 3013 3005 3014 3015 3016 CONECT 3014 3013 CONECT 3015 3013 CONECT 3016 3013 CONECT 3017 3005 CONECT 3018 2961 CONECT 3019 2960 CONECT 3020 2957 3021 3068 3069 CONECT 3021 3020 3022 CONECT 3022 3021 3023 3066 3067 CONECT 3023 3022 3024 3065 CONECT 3024 3023 3025 3064 CONECT 3025 3024 3026 3056 CONECT 3026 3025 3027 3063 CONECT 3027 3026 3028 3062 CONECT 3028 3027 3029 3055 CONECT 3029 3028 3030 CONECT 3030 3029 3031 CONECT 3031 3030 3032 3051 CONECT 3032 3031 3033 3054 CONECT 3033 3032 3034 3053 CONECT 3034 3033 3035 3046 CONECT 3035 3034 3036 3045 CONECT 3036 3035 3037 3044 CONECT 3037 3036 3038 3042 3043 CONECT 3038 3037 3039 CONECT 3039 2913 3038 3040 3041 CONECT 3040 3039 CONECT 3041 3039 CONECT 3042 3037 CONECT 3043 3037 CONECT 3044 3036 CONECT 3045 3035 CONECT 3046 3034 3047 3051 CONECT 3047 3046 3048 3049 3050 CONECT 3048 3047 CONECT 3049 3047 CONECT 3050 3047 CONECT 3051 3031 3046 3052 CONECT 3052 3051 CONECT 3053 3033 CONECT 3054 3032 CONECT 3055 3028 3056 3061 CONECT 3056 3025 3055 3057 CONECT 3057 3056 3058 3059 3060 CONECT 3058 3057 CONECT 3059 3057 CONECT 3060 3057 CONECT 3061 3055 CONECT 3062 3027 CONECT 3063 3026 CONECT 3064 3024 CONECT 3065 3023 CONECT 3066 3022 CONECT 3067 3022 CONECT 3068 3020 CONECT 3069 3020 CONECT 3070 2957 CONECT 3071 2956 CONECT 3072 2953 3073 3076 3077 CONECT 3073 3072 3074 3075 CONECT 3074 3073 CONECT 3075 3073 CONECT 3076 3072 CONECT 3077 3072 CONECT 3078 2953 CONECT 3079 2952 CONECT 3080 2949 CONECT 3081 2949 CONECT 3082 2948 CONECT 3083 2945 3084 3095 3096 CONECT 3084 3083 3085 3089 CONECT 3085 3084 3086 3094 CONECT 3086 3085 3087 3093 CONECT 3087 3086 3088 3092 CONECT 3088 3087 3089 3091 CONECT 3089 3084 3088 3090 CONECT 3090 3089 CONECT 3091 3088 CONECT 3092 3087 CONECT 3093 3086 CONECT 3094 3085 CONECT 3095 3083 CONECT 3096 3083 CONECT 3097 2945 CONECT 3098 2944 CONECT 3099 2941 3100 3101 3102 CONECT 3100 3099 CONECT 3101 3099 CONECT 3102 3099 CONECT 3103 2941 CONECT 3104 2940 CONECT 3105 2937 3106 3107 3108 CONECT 3106 3105 CONECT 3107 3105 CONECT 3108 3105 CONECT 3109 2937 CONECT 3110 2936 CONECT 3111 2933 3112 3122 3123 CONECT 3112 3111 3113 3117 3121 CONECT 3113 3112 3114 3115 3116 CONECT 3114 3113 CONECT 3115 3113 CONECT 3116 3113 CONECT 3117 3112 3118 3119 3120 CONECT 3118 3117 CONECT 3119 3117 CONECT 3120 3117 CONECT 3121 3112 CONECT 3122 3111 CONECT 3123 3111 CONECT 3124 2933 CONECT 3125 2932 CONECT 3126 2929 3127 3128 3129 CONECT 3127 3126 CONECT 3128 3126 CONECT 3129 3126 CONECT 3130 2929 CONECT 3131 2928 CONECT 3132 2925 3133 3148 3149 CONECT 3133 3132 3134 3146 3147 CONECT 3134 3133 3135 3144 3145 CONECT 3135 3134 3136 3143 CONECT 3136 3135 3137 3140 CONECT 3137 3136 3138 3139 CONECT 3138 3137 CONECT 3139 3137 CONECT 3140 3136 3141 3142 CONECT 3141 3140 CONECT 3142 3140 CONECT 3143 3135 CONECT 3144 3134 CONECT 3145 3134 CONECT 3146 3133 CONECT 3147 3133 CONECT 3148 3132 CONECT 3149 3132 CONECT 3150 2925 CONECT 3151 2924 CONECT 3152 2921 CONECT 3153 2921 CONECT 3154 2920 CONECT 3155 2917 3156 3160 3164 CONECT 3156 3155 3157 3158 3159 CONECT 3157 3156 CONECT 3158 3156 CONECT 3159 3156 CONECT 3160 3155 3161 3162 3163 CONECT 3161 3160 CONECT 3162 3160 CONECT 3163 3160 CONECT 3164 3155 CONECT 3165 2917 CONECT 3166 2916 CONECT 3167 2913 CONECT 3168 2912 CONECT 3169 2909 CONECT 3170 2909 CONECT 3171 2908 MASTER 0 0 0 0 0 0 0 0 3170 1 274 15 END
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Entry Information
PDB ID
2lp8
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bcl-xL
Ligand Name
18-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=30.5nM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Am.Chem.Soc. Vol. 134: pp. 7644-7647
Ligand Properties
Formula
C
8
5
H
1
3
2
N
2
8
O
2
8
S
4
Molecular Weight
2122.390
Exact Mass
2120.860
No. of atoms
277
No. of bonds
280
Polar Surface Area
1026.6
LOGP Value
-0.17 (
Computed with XLOGP3
)
0.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 20
No. of Hydrogen Bond Acceptors: 28
No. of Rotatable Bonds: 33
No. of Nitrogen and Oxygen Atoms: 56
No. of Rings: 4
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC[NH+]=C(N)N)CC(=O)N)NC(=O)[C@@H]1CSCC(=O)Nc2ccc(cc2S(O)(O)O)/N=N/c2ccc(c(c2)S(O)(O)O)NC(=O)CSC[C@H](NC(=O)CNC(=O)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC(=O)O)Cc1ccccc1)C)C)CC(C)C)C)CCC[NH+]=C(N)N)C
InChI String
InChI=1S/C85H130N28O28S4/c1-11-42(6)70(83(135)108-56(31-62(86)115)78(130)105-52(71(87)123)19-15-25-92-84(88)89)111-81(133)59-37-143-39-67(120)101-51-24-22-49(30-61(51)145(139,140)141)113-112-48-21-23-50(60(29-48)144(136,137)138)100-66(119)38-142-36-58(104-63(116)33-94-46(10)114)80(132)110-69(41(4)5)82(134)96-35-64(117)102-53(20-16-26-93-85(90)91)76(128)98-45(9)74(126)106-54(27-40(2)3)77(129)99-43(7)72(124)97-44(8)73(125)107-55(28-47-17-13-12-14-18-47)75(127)95-34-65(118)103-57(32-68(121)122)79(131)109-59/h12-14,17-18,21-24,29-30,40-45,52-59,69-70,136-141H,11,15-16,19-20,25-28,31-39H2,1-10H3,(H2,86,115)(H2,87,123)(H,94,114)(H,95,127)(H,96,134)(H,97,124)(H,98,128)(H,99,129)(H,100,119)(H,101,120)(H,102,117)(H,103,118)(H,104,116)(H,105,130)(H,106,126)(H,107,125)(H,108,135)(H,109,131)(H,110,132)(H,111,133)(H,121,122)(H4,88,89,92)(H4,90,91,93)/p+2/b113-112+/t42-,43-,44-,45-,52-,53-,54-,55-,56-,57-,58-,59-,69-,70-/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):
Q16611
Q07817
Entrez Gene ID
NCBI Entrez Gene ID:
578
598
ASD
Information of known allosteric effects of PDB entries
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