Browse entries in the PDBbind-CN Database
HEADER 3H1X_COMPLEX COMPND 3H1X_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 SER LEU LEU GLU PHE GLY LYS MET ILE LEU GLU GLU THR SEQRES 2 A 121 GLY LYS LEU ALA ILE PRO SER TYR SER SER TYR GLY CYS SEQRES 3 A 121 TYR CYS GLY TRP GLY GLY LYS GLY THR PRO LYS ASP ALA SEQRES 4 A 121 THR ASP ARG CYS CYS PHE VAL HIS ASP CYS CYS TYR GLY SEQRES 5 A 121 ASN LEU PRO ASP CYS ASN PRO LYS SER ASP ARG TYR LYS SEQRES 6 A 121 TYR LYS ARG VAL ASN GLY ALA ILE VAL CYS GLU LYS GLY SEQRES 7 A 121 THR SER CYS GLU ASN ARG ILE CYS GLU CYS ASP LYS ALA SEQRES 8 A 121 ALA ALA ILE CYS PHE ARG GLN ASN LEU ASN THR TYR SER SEQRES 9 A 121 LYS LYS TYR MET LEU TYR PRO ASP PHE LEU CYS LYS GLY SEQRES 10 A 121 GLU LEU LYS CYS HET IMN A 364 40 SSBOND 1 CYS A 29 CYS A 45 SSBOND 2 CYS A 61 CYS A 91 SSBOND 3 CYS A 84 CYS A 96 SSBOND 4 CYS A 51 CYS A 98 SSBOND 5 CYS A 44 CYS A 105 SSBOND 6 CYS A 27 CYS A 126 SSBOND 7 CYS A 50 CYS A 133 ATOM 1 N SER A 1 -10.903 -12.691 3.587 1.00 24.07 N ATOM 2 CA SER A 1 -10.873 -13.522 4.810 1.00 24.74 C ATOM 3 C SER A 1 -10.275 -14.893 4.502 1.00 25.48 C ATOM 4 O SER A 1 -10.313 -15.339 3.358 1.00 24.87 O ATOM 5 CB SER A 1 -12.290 -13.674 5.359 1.00 24.79 C ATOM 6 OG SER A 1 -12.984 -14.657 4.617 1.00 25.88 O ATOM 7 HA SER A 1 -10.250 -13.034 5.559 1.00 0.00 H ATOM 8 HB2 SER A 1 -12.814 -12.722 5.279 1.00 0.00 H ATOM 9 HB3 SER A 1 -12.243 -13.975 6.406 1.00 0.00 H ATOM 10 HG SER A 1 -12.508 -15.522 4.691 1.00 0.00 H ATOM 11 HN3 SER A 1 -11.484 -13.162 2.864 1.00 0.00 H ATOM 12 HN2 SER A 1 -9.934 -12.568 3.229 1.00 0.00 H ATOM 13 HN1 SER A 1 -11.312 -11.761 3.811 1.00 0.00 H ATOM 14 N LEU A 2 -9.604 -15.498 5.477 1.00 27.44 N ATOM 15 CA LEU A 2 -9.088 -16.866 5.347 1.00 28.89 C ATOM 16 C LEU A 2 -10.094 -17.845 4.692 1.00 28.96 C ATOM 17 O LEU A 2 -9.680 -18.667 3.854 1.00 27.90 O ATOM 18 CB LEU A 2 -8.715 -17.411 6.738 1.00 30.06 C ATOM 19 CG LEU A 2 -7.436 -18.147 7.123 1.00 33.36 C ATOM 20 CD1 LEU A 2 -6.545 -17.243 7.883 1.00 35.83 C ATOM 21 CD2 LEU A 2 -7.821 -19.279 8.021 1.00 34.90 C ATOM 22 HA LEU A 2 -8.217 -16.804 4.694 1.00 0.00 H ATOM 23 HB2 LEU A 2 -8.750 -16.544 7.398 1.00 0.00 H ATOM 24 HB3 LEU A 2 -9.522 -18.096 6.997 1.00 0.00 H ATOM 25 HG LEU A 2 -6.923 -18.497 6.227 1.00 0.00 H ATOM 26 HD21 LEU A 2 -8.316 -18.885 8.909 1.00 0.00 H ATOM 27 HD22 LEU A 2 -8.500 -19.947 7.491 1.00 0.00 H ATOM 28 HD23 LEU A 2 -6.926 -19.828 8.316 1.00 0.00 H ATOM 29 HD11 LEU A 2 -6.293 -16.381 7.266 1.00 0.00 H ATOM 30 HD12 LEU A 2 -7.054 -16.908 8.787 1.00 0.00 H ATOM 31 HD13 LEU A 2 -5.634 -17.776 8.154 1.00 0.00 H ATOM 32 H LEU A 2 -9.438 -14.983 6.365 1.00 0.00 H ATOM 33 N LEU A 3 -11.376 -17.831 5.078 1.00 28.89 N ATOM 34 CA LEU A 3 -12.318 -18.836 4.521 1.00 29.38 C ATOM 35 C LEU A 3 -12.472 -18.640 2.998 1.00 28.06 C ATOM 36 O LEU A 3 -12.470 -19.611 2.221 1.00 28.07 O ATOM 37 CB LEU A 3 -13.664 -19.000 5.278 1.00 30.58 C ATOM 38 CG LEU A 3 -13.648 -19.944 6.497 1.00 33.86 C ATOM 39 CD1 LEU A 3 -14.941 -19.782 7.280 1.00 35.71 C ATOM 40 CD2 LEU A 3 -13.467 -21.408 6.099 1.00 35.02 C ATOM 41 HA LEU A 3 -11.855 -19.807 4.694 1.00 0.00 H ATOM 42 HB2 LEU A 3 -13.973 -18.014 5.624 1.00 0.00 H ATOM 43 HB3 LEU A 3 -14.400 -19.382 4.570 1.00 0.00 H ATOM 44 HG LEU A 3 -12.793 -19.668 7.114 1.00 0.00 H ATOM 45 HD21 LEU A 3 -14.288 -21.711 5.449 1.00 0.00 H ATOM 46 HD22 LEU A 3 -12.521 -21.525 5.570 1.00 0.00 H ATOM 47 HD23 LEU A 3 -13.463 -22.029 6.995 1.00 0.00 H ATOM 48 HD11 LEU A 3 -15.032 -18.750 7.620 1.00 0.00 H ATOM 49 HD12 LEU A 3 -15.786 -20.030 6.638 1.00 0.00 H ATOM 50 HD13 LEU A 3 -14.929 -20.450 8.141 1.00 0.00 H ATOM 51 H LEU A 3 -11.710 -17.122 5.762 1.00 0.00 H ATOM 52 N GLU A 4 -12.681 -17.376 2.561 1.00 27.37 N ATOM 53 CA GLU A 4 -12.672 -16.975 1.129 1.00 26.47 C ATOM 54 C GLU A 4 -11.406 -17.369 0.420 1.00 25.07 C ATOM 55 O GLU A 4 -11.458 -17.848 -0.709 1.00 24.99 O ATOM 56 CB GLU A 4 -12.750 -15.458 0.928 1.00 26.96 C ATOM 57 CG GLU A 4 -14.134 -14.881 0.969 1.00 27.37 C ATOM 58 CD GLU A 4 -14.158 -13.438 1.433 1.00 28.09 C ATOM 59 OE1 GLU A 4 -13.115 -12.706 1.357 1.00 24.58 O ATOM 60 OE2 GLU A 4 -15.256 -13.035 1.870 1.00 29.49 O ATOM 61 HA GLU A 4 -13.547 -17.486 0.727 1.00 0.00 H ATOM 62 HB2 GLU A 4 -12.162 -14.982 1.713 1.00 0.00 H ATOM 63 HB3 GLU A 4 -12.314 -15.223 -0.043 1.00 0.00 H ATOM 64 HG2 GLU A 4 -14.562 -14.932 -0.032 1.00 0.00 H ATOM 65 HG3 GLU A 4 -14.739 -15.477 1.652 1.00 0.00 H ATOM 66 H GLU A 4 -12.859 -16.638 3.272 1.00 0.00 H ATOM 67 N PHE A 5 -10.258 -17.059 1.010 1.00 23.71 N ATOM 68 CA PHE A 5 -8.984 -17.416 0.430 1.00 22.49 C ATOM 69 C PHE A 5 -8.928 -18.939 0.252 1.00 22.14 C ATOM 70 O PHE A 5 -8.510 -19.418 -0.805 1.00 21.53 O ATOM 71 CB PHE A 5 -7.877 -16.936 1.347 1.00 21.94 C ATOM 72 CG PHE A 5 -6.482 -17.157 0.830 1.00 20.29 C ATOM 73 CD1 PHE A 5 -6.141 -17.064 -0.516 1.00 20.14 C ATOM 74 CD2 PHE A 5 -5.495 -17.435 1.731 1.00 19.76 C ATOM 75 CE1 PHE A 5 -4.831 -17.238 -0.893 1.00 20.03 C ATOM 76 CE2 PHE A 5 -4.205 -17.623 1.361 1.00 20.35 C ATOM 77 CZ PHE A 5 -3.871 -17.514 0.033 1.00 21.09 C ATOM 78 HA PHE A 5 -8.858 -16.946 -0.546 1.00 0.00 H ATOM 79 HB2 PHE A 5 -8.012 -15.867 1.510 1.00 0.00 H ATOM 80 HB3 PHE A 5 -7.973 -17.462 2.297 1.00 0.00 H ATOM 81 HD2 PHE A 5 -5.754 -17.508 2.787 1.00 0.00 H ATOM 82 HE2 PHE A 5 -3.444 -17.857 2.106 1.00 0.00 H ATOM 83 HZ PHE A 5 -2.836 -17.649 -0.280 1.00 0.00 H ATOM 84 HE1 PHE A 5 -4.557 -17.154 -1.945 1.00 0.00 H ATOM 85 HD1 PHE A 5 -6.906 -16.855 -1.264 1.00 0.00 H ATOM 86 H PHE A 5 -10.276 -16.545 1.914 1.00 0.00 H ATOM 87 N GLY A 6 -9.400 -19.707 1.242 1.00 22.27 N ATOM 88 CA GLY A 6 -9.395 -21.169 1.090 1.00 22.39 C ATOM 89 C GLY A 6 -10.255 -21.606 -0.091 1.00 23.04 C ATOM 90 O GLY A 6 -9.892 -22.517 -0.832 1.00 22.47 O ATOM 91 HA3 GLY A 6 -9.786 -21.622 2.001 1.00 0.00 H ATOM 92 HA2 GLY A 6 -8.371 -21.506 0.928 1.00 0.00 H ATOM 93 H GLY A 6 -9.768 -19.272 2.112 1.00 0.00 H ATOM 94 N LYS A 7 -11.375 -20.940 -0.304 1.00 23.23 N ATOM 95 CA LYS A 7 -12.233 -21.293 -1.413 1.00 23.78 C ATOM 96 C LYS A 7 -11.604 -20.917 -2.764 1.00 23.27 C ATOM 97 O LYS A 7 -11.713 -21.658 -3.742 1.00 23.26 O ATOM 98 CB LYS A 7 -13.589 -20.646 -1.227 1.00 24.61 C ATOM 99 CG LYS A 7 -14.617 -21.190 -2.137 1.00 26.55 C ATOM 100 CD LYS A 7 -15.970 -20.865 -1.592 1.00 29.02 C ATOM 101 CE LYS A 7 -17.065 -21.386 -2.466 1.00 30.75 C ATOM 102 NZ LYS A 7 -18.369 -21.009 -1.874 1.00 31.78 N ATOM 103 HA LYS A 7 -12.359 -22.376 -1.426 1.00 0.00 H ATOM 104 HB2 LYS A 7 -13.914 -20.808 -0.199 1.00 0.00 H ATOM 105 HB3 LYS A 7 -13.492 -19.576 -1.412 1.00 0.00 H ATOM 106 HG2 LYS A 7 -14.504 -20.744 -3.125 1.00 0.00 H ATOM 107 HG3 LYS A 7 -14.503 -22.271 -2.213 1.00 0.00 H ATOM 108 HD2 LYS A 7 -16.067 -21.310 -0.602 1.00 0.00 H ATOM 109 HD3 LYS A 7 -16.067 -19.782 -1.513 1.00 0.00 H ATOM 110 HE2 LYS A 7 -16.994 -22.471 -2.535 1.00 0.00 H ATOM 111 HE3 LYS A 7 -16.976 -20.953 -3.462 1.00 0.00 H ATOM 112 HZ1 LYS A 7 -18.449 -21.423 -0.923 1.00 0.00 H ATOM 113 HZ2 LYS A 7 -18.432 -19.973 -1.809 1.00 0.00 H ATOM 114 HZ3 LYS A 7 -19.138 -21.367 -2.476 1.00 0.00 H ATOM 115 H LYS A 7 -11.641 -20.158 0.328 1.00 0.00 H ATOM 116 N MET A 8 -10.942 -19.767 -2.808 1.00 22.50 N ATOM 117 CA MET A 8 -10.257 -19.330 -4.008 1.00 21.53 C ATOM 118 C MET A 8 -9.163 -20.341 -4.358 1.00 20.66 C ATOM 119 O MET A 8 -8.984 -20.676 -5.528 1.00 20.46 O ATOM 120 CB MET A 8 -9.613 -17.969 -3.763 1.00 21.66 C ATOM 121 CG MET A 8 -9.031 -17.334 -4.977 1.00 20.36 C ATOM 122 SD MET A 8 -8.168 -15.757 -4.586 1.00 19.75 S ATOM 123 CE MET A 8 -9.525 -14.629 -4.372 1.00 22.70 C ATOM 124 HA MET A 8 -10.973 -19.255 -4.827 1.00 0.00 H ATOM 125 HB2 MET A 8 -10.373 -17.300 -3.360 1.00 0.00 H ATOM 126 HB3 MET A 8 -8.817 -18.096 -3.030 1.00 0.00 H ATOM 127 HG2 MET A 8 -9.833 -17.130 -5.686 1.00 0.00 H ATOM 128 HG3 MET A 8 -8.317 -18.024 -5.427 1.00 0.00 H ATOM 129 HE1 MET A 8 -10.104 -14.580 -5.294 1.00 0.00 H ATOM 130 HE2 MET A 8 -10.162 -14.979 -3.559 1.00 0.00 H ATOM 131 HE3 MET A 8 -9.138 -13.639 -4.132 1.00 0.00 H ATOM 132 H MET A 8 -10.914 -19.165 -1.960 1.00 0.00 H ATOM 133 N ILE A 9 -8.442 -20.813 -3.344 1.00 20.46 N ATOM 134 CA ILE A 9 -7.378 -21.824 -3.522 1.00 20.69 C ATOM 135 C ILE A 9 -7.960 -23.114 -4.094 1.00 21.00 C ATOM 136 O ILE A 9 -7.453 -23.655 -5.077 1.00 20.71 O ATOM 137 CB ILE A 9 -6.648 -22.110 -2.210 1.00 21.08 C ATOM 138 CG1 ILE A 9 -5.834 -20.868 -1.808 1.00 21.26 C ATOM 139 CG2 ILE A 9 -5.705 -23.324 -2.352 1.00 22.27 C ATOM 140 CD1 ILE A 9 -5.355 -20.822 -0.412 1.00 21.85 C ATOM 141 HA ILE A 9 -6.652 -21.418 -4.226 1.00 0.00 H ATOM 142 HB ILE A 9 -7.386 -22.342 -1.442 1.00 0.00 H ATOM 143 HG12 ILE A 9 -4.962 -20.817 -2.460 1.00 0.00 H ATOM 144 HG13 ILE A 9 -6.461 -19.992 -1.973 1.00 0.00 H ATOM 145 HD11 ILE A 9 -6.209 -20.853 0.265 1.00 0.00 H ATOM 146 HD12 ILE A 9 -4.708 -21.679 -0.223 1.00 0.00 H ATOM 147 HD13 ILE A 9 -4.796 -19.900 -0.251 1.00 0.00 H ATOM 148 HG21 ILE A 9 -6.286 -24.204 -2.627 1.00 0.00 H ATOM 149 HG22 ILE A 9 -4.965 -23.119 -3.126 1.00 0.00 H ATOM 150 HG23 ILE A 9 -5.200 -23.503 -1.403 1.00 0.00 H ATOM 151 H ILE A 9 -8.635 -20.456 -2.386 1.00 0.00 H ATOM 152 N LEU A 10 -9.047 -23.577 -3.497 1.00 21.25 N ATOM 153 CA LEU A 10 -9.697 -24.812 -3.994 1.00 22.11 C ATOM 154 C LEU A 10 -10.175 -24.612 -5.442 1.00 22.52 C ATOM 155 O LEU A 10 -9.953 -25.461 -6.323 1.00 23.41 O ATOM 156 CB LEU A 10 -10.847 -25.179 -3.064 1.00 23.33 C ATOM 157 CG LEU A 10 -11.706 -26.349 -3.584 1.00 24.61 C ATOM 158 CD1 LEU A 10 -10.924 -27.648 -3.704 1.00 26.27 C ATOM 159 CD2 LEU A 10 -12.912 -26.528 -2.707 1.00 25.80 C ATOM 160 HA LEU A 10 -8.983 -25.636 -3.999 1.00 0.00 H ATOM 161 HB2 LEU A 10 -10.433 -25.458 -2.095 1.00 0.00 H ATOM 162 HB3 LEU A 10 -11.488 -24.305 -2.945 1.00 0.00 H ATOM 163 HG LEU A 10 -12.027 -26.092 -4.593 1.00 0.00 H ATOM 164 HD21 LEU A 10 -12.590 -26.743 -1.688 1.00 0.00 H ATOM 165 HD22 LEU A 10 -13.506 -25.614 -2.717 1.00 0.00 H ATOM 166 HD23 LEU A 10 -13.513 -27.357 -3.082 1.00 0.00 H ATOM 167 HD11 LEU A 10 -10.095 -27.509 -4.398 1.00 0.00 H ATOM 168 HD12 LEU A 10 -10.536 -27.929 -2.725 1.00 0.00 H ATOM 169 HD13 LEU A 10 -11.582 -28.434 -4.075 1.00 0.00 H ATOM 170 H LEU A 10 -9.445 -23.073 -2.679 1.00 0.00 H ATOM 171 N GLU A 11 -10.843 -23.499 -5.734 1.00 23.11 N ATOM 172 CA GLU A 11 -11.269 -23.195 -7.102 1.00 23.94 C ATOM 173 C GLU A 11 -10.145 -23.208 -8.100 1.00 24.02 C ATOM 174 O GLU A 11 -10.304 -23.659 -9.226 1.00 24.22 O ATOM 175 CB GLU A 11 -11.787 -21.766 -7.224 1.00 25.19 C ATOM 176 CG GLU A 11 -13.164 -21.602 -6.701 1.00 26.33 C ATOM 177 CD GLU A 11 -13.647 -20.165 -6.688 1.00 28.66 C ATOM 178 OE1 GLU A 11 -12.864 -19.179 -6.914 1.00 27.44 O ATOM 179 OE2 GLU A 11 -14.855 -20.033 -6.451 1.00 30.46 O ATOM 180 HA GLU A 11 -12.014 -23.964 -7.305 1.00 0.00 H ATOM 181 HB2 GLU A 11 -11.122 -21.107 -6.666 1.00 0.00 H ATOM 182 HB3 GLU A 11 -11.779 -21.482 -8.276 1.00 0.00 H ATOM 183 HG2 GLU A 11 -13.841 -22.187 -7.324 1.00 0.00 H ATOM 184 HG3 GLU A 11 -13.192 -21.983 -5.680 1.00 0.00 H ATOM 185 H GLU A 11 -11.068 -22.828 -4.972 1.00 0.00 H ATOM 186 N GLU A 12 -9.004 -22.651 -7.721 1.00 23.32 N ATOM 187 CA GLU A 12 -7.895 -22.540 -8.642 1.00 23.75 C ATOM 188 C GLU A 12 -7.213 -23.874 -8.853 1.00 23.31 C ATOM 189 O GLU A 12 -6.854 -24.218 -9.979 1.00 22.97 O ATOM 190 CB GLU A 12 -6.816 -21.618 -8.080 1.00 24.52 C ATOM 191 CG GLU A 12 -6.909 -20.169 -8.392 1.00 26.76 C ATOM 192 CD GLU A 12 -7.144 -19.830 -9.834 1.00 24.46 C ATOM 193 OE1 GLU A 12 -6.195 -19.892 -10.657 1.00 29.06 O ATOM 194 OE2 GLU A 12 -8.259 -19.420 -10.080 1.00 25.80 O ATOM 195 HA GLU A 12 -8.315 -22.159 -9.573 1.00 0.00 H ATOM 196 HB2 GLU A 12 -6.836 -21.719 -6.995 1.00 0.00 H ATOM 197 HB3 GLU A 12 -5.857 -21.971 -8.459 1.00 0.00 H ATOM 198 HG2 GLU A 12 -7.732 -19.753 -7.811 1.00 0.00 H ATOM 199 HG3 GLU A 12 -5.975 -19.699 -8.085 1.00 0.00 H ATOM 200 H GLU A 12 -8.905 -22.290 -6.751 1.00 0.00 H ATOM 201 N THR A 13 -6.955 -24.571 -7.747 1.00 22.83 N ATOM 202 CA THR A 13 -6.049 -25.730 -7.758 1.00 23.73 C ATOM 203 C THR A 13 -6.699 -27.082 -7.670 1.00 24.50 C ATOM 204 O THR A 13 -6.067 -28.053 -8.058 1.00 26.49 O ATOM 205 CB THR A 13 -5.023 -25.694 -6.621 1.00 23.54 C ATOM 206 OG1 THR A 13 -5.686 -25.858 -5.352 1.00 22.53 O ATOM 207 CG2 THR A 13 -4.314 -24.362 -6.563 1.00 23.73 C ATOM 208 HA THR A 13 -5.589 -25.623 -8.740 1.00 0.00 H ATOM 209 HB THR A 13 -4.311 -26.497 -6.812 1.00 0.00 H ATOM 210 HG1 THR A 13 -6.339 -25.125 -5.225 1.00 0.00 H ATOM 211 HG23 THR A 13 -3.793 -24.188 -7.505 1.00 0.00 H ATOM 212 HG21 THR A 13 -5.044 -23.570 -6.398 1.00 0.00 H ATOM 213 HG22 THR A 13 -3.594 -24.370 -5.744 1.00 0.00 H ATOM 214 H THR A 13 -7.406 -24.288 -6.853 1.00 0.00 H ATOM 215 N GLY A 14 -7.903 -27.167 -7.115 1.00 25.24 N ATOM 216 CA GLY A 14 -8.582 -28.442 -6.923 1.00 25.80 C ATOM 217 C GLY A 14 -8.032 -29.099 -5.686 1.00 26.48 C ATOM 218 O GLY A 14 -8.437 -30.201 -5.299 1.00 28.71 O ATOM 219 HA3 GLY A 14 -8.410 -29.084 -7.787 1.00 0.00 H ATOM 220 HA2 GLY A 14 -9.652 -28.274 -6.805 1.00 0.00 H ATOM 221 H GLY A 14 -8.377 -26.294 -6.807 1.00 0.00 H ATOM 222 N LYS A 16 -7.169 -28.494 -4.873 1.00 25.60 N ATOM 223 CA LYS A 16 -6.722 -28.918 -3.556 1.00 25.66 C ATOM 224 C LYS A 16 -7.412 -28.132 -2.462 1.00 25.84 C ATOM 225 O LYS A 16 -7.655 -26.936 -2.617 1.00 25.92 O ATOM 226 CB LYS A 16 -5.226 -28.720 -3.441 1.00 25.90 C ATOM 227 CG LYS A 16 -4.434 -29.530 -4.398 1.00 26.24 C ATOM 228 CD LYS A 16 -2.952 -29.286 -4.178 1.00 26.56 C ATOM 229 CE LYS A 16 -2.090 -30.334 -4.850 1.00 27.42 C ATOM 230 NZ LYS A 16 -2.092 -31.658 -4.123 1.00 29.58 N ATOM 231 HA LYS A 16 -6.974 -29.972 -3.436 1.00 0.00 H ATOM 232 HB2 LYS A 16 -5.005 -27.667 -3.618 1.00 0.00 H ATOM 233 HB3 LYS A 16 -4.921 -28.989 -2.430 1.00 0.00 H ATOM 234 HG2 LYS A 16 -4.653 -30.587 -4.246 1.00 0.00 H ATOM 235 HG3 LYS A 16 -4.700 -29.248 -5.417 1.00 0.00 H ATOM 236 HD2 LYS A 16 -2.694 -28.307 -4.583 1.00 0.00 H ATOM 237 HD3 LYS A 16 -2.750 -29.300 -3.107 1.00 0.00 H ATOM 238 HE2 LYS A 16 -1.066 -29.964 -4.895 1.00 0.00 H ATOM 239 HE3 LYS A 16 -2.462 -30.493 -5.862 1.00 0.00 H ATOM 240 HZ1 LYS A 16 -1.729 -31.523 -3.158 1.00 0.00 H ATOM 241 HZ2 LYS A 16 -3.063 -32.028 -4.081 1.00 0.00 H ATOM 242 HZ3 LYS A 16 -1.485 -32.332 -4.631 1.00 0.00 H ATOM 243 H LYS A 16 -6.762 -27.604 -5.225 1.00 0.00 H ATOM 244 N LEU A 17 -7.786 -28.811 -1.385 1.00 26.14 N ATOM 245 CA LEU A 17 -8.339 -28.140 -0.223 1.00 26.32 C ATOM 246 C LEU A 17 -7.224 -27.332 0.452 1.00 26.00 C ATOM 247 O LEU A 17 -6.123 -27.849 0.699 1.00 26.41 O ATOM 248 CB LEU A 17 -8.886 -29.163 0.762 1.00 26.73 C ATOM 249 CG LEU A 17 -10.213 -29.796 0.375 1.00 28.98 C ATOM 250 CD1 LEU A 17 -10.522 -30.923 1.357 1.00 29.35 C ATOM 251 CD2 LEU A 17 -11.302 -28.746 0.395 1.00 29.36 C ATOM 252 HA LEU A 17 -9.150 -27.482 -0.534 1.00 0.00 H ATOM 253 HB2 LEU A 17 -8.150 -29.960 0.863 1.00 0.00 H ATOM 254 HB3 LEU A 17 -9.017 -28.667 1.724 1.00 0.00 H ATOM 255 HG LEU A 17 -10.158 -30.208 -0.633 1.00 0.00 H ATOM 256 HD21 LEU A 17 -11.380 -28.324 1.397 1.00 0.00 H ATOM 257 HD22 LEU A 17 -11.056 -27.956 -0.315 1.00 0.00 H ATOM 258 HD23 LEU A 17 -12.251 -29.204 0.117 1.00 0.00 H ATOM 259 HD11 LEU A 17 -9.728 -31.669 1.313 1.00 0.00 H ATOM 260 HD12 LEU A 17 -10.585 -30.517 2.366 1.00 0.00 H ATOM 261 HD13 LEU A 17 -11.472 -31.386 1.090 1.00 0.00 H ATOM 262 H LEU A 17 -7.681 -29.846 -1.373 1.00 0.00 H ATOM 263 N ALA A 18 -7.504 -26.067 0.764 1.00 26.27 N ATOM 264 CA ALA A 18 -6.497 -25.225 1.392 1.00 26.21 C ATOM 265 C ALA A 18 -5.961 -25.818 2.663 1.00 26.63 C ATOM 266 O ALA A 18 -4.760 -25.788 2.878 1.00 26.10 O ATOM 267 CB ALA A 18 -7.023 -23.819 1.628 1.00 25.91 C ATOM 268 HA ALA A 18 -5.662 -25.166 0.693 1.00 0.00 H ATOM 269 HB1 ALA A 18 -7.304 -23.373 0.674 1.00 0.00 H ATOM 270 HB2 ALA A 18 -7.895 -23.863 2.280 1.00 0.00 H ATOM 271 HB3 ALA A 18 -6.246 -23.216 2.098 1.00 0.00 H ATOM 272 H ALA A 18 -8.447 -25.680 0.558 1.00 0.00 H ATOM 273 N ILE A 19 -6.866 -26.301 3.525 1.00 27.72 N ATOM 274 CA ILE A 19 -6.513 -27.100 4.693 1.00 29.09 C ATOM 275 C ILE A 19 -6.870 -28.525 4.233 1.00 29.11 C ATOM 276 O ILE A 19 -8.045 -28.800 4.048 1.00 29.66 O ATOM 277 CB ILE A 19 -7.398 -26.749 5.911 1.00 29.37 C ATOM 278 CG1 ILE A 19 -7.229 -25.303 6.346 1.00 30.92 C ATOM 279 CG2 ILE A 19 -7.075 -27.692 7.068 1.00 30.97 C ATOM 280 CD1 ILE A 19 -8.513 -24.758 6.965 1.00 32.04 C ATOM 281 HA ILE A 19 -5.478 -26.951 5.001 1.00 0.00 H ATOM 282 HB ILE A 19 -8.439 -26.874 5.613 1.00 0.00 H ATOM 283 HG12 ILE A 19 -6.427 -25.244 7.082 1.00 0.00 H ATOM 284 HG13 ILE A 19 -6.969 -24.698 5.477 1.00 0.00 H ATOM 285 HD11 ILE A 19 -9.318 -24.809 6.232 1.00 0.00 H ATOM 286 HD12 ILE A 19 -8.776 -25.355 7.838 1.00 0.00 H ATOM 287 HD13 ILE A 19 -8.359 -23.722 7.266 1.00 0.00 H ATOM 288 HG21 ILE A 19 -7.270 -28.720 6.762 1.00 0.00 H ATOM 289 HG22 ILE A 19 -6.025 -27.585 7.340 1.00 0.00 H ATOM 290 HG23 ILE A 19 -7.701 -27.442 7.925 1.00 0.00 H ATOM 291 H ILE A 19 -7.871 -26.096 3.353 1.00 0.00 H ATOM 292 N PRO A 20 -5.951 -29.471 4.116 1.00 29.54 N ATOM 293 CA PRO A 20 -4.568 -29.433 4.554 1.00 29.37 C ATOM 294 C PRO A 20 -3.479 -29.204 3.531 1.00 28.97 C ATOM 295 O PRO A 20 -2.318 -29.267 3.928 1.00 30.43 O ATOM 296 CB PRO A 20 -4.384 -30.871 5.015 1.00 29.44 C ATOM 297 CG PRO A 20 -5.114 -31.654 3.912 1.00 29.73 C ATOM 298 CD PRO A 20 -6.292 -30.788 3.542 1.00 29.20 C ATOM 299 HA PRO A 20 -4.454 -28.596 5.243 1.00 0.00 H ATOM 300 HD3 PRO A 20 -6.403 -30.724 2.460 1.00 0.00 H ATOM 301 HD2 PRO A 20 -7.213 -31.176 3.978 1.00 0.00 H ATOM 302 HG3 PRO A 20 -5.450 -32.621 4.285 1.00 0.00 H ATOM 303 HG2 PRO A 20 -4.462 -31.805 3.052 1.00 0.00 H ATOM 304 HB2 PRO A 20 -3.329 -31.141 5.061 1.00 0.00 H ATOM 305 HB3 PRO A 20 -4.843 -31.037 5.990 1.00 0.00 H ATOM 306 N SER A 21 -3.787 -28.954 2.270 1.00 27.51 N ATOM 307 CA SER A 21 -2.710 -28.890 1.290 1.00 27.17 C ATOM 308 C SER A 21 -1.789 -27.680 1.361 1.00 26.55 C ATOM 309 O SER A 21 -0.625 -27.770 0.947 1.00 25.69 O ATOM 310 CB SER A 21 -3.277 -28.956 -0.120 1.00 27.21 C ATOM 311 OG SER A 21 -3.917 -30.189 -0.333 1.00 28.46 O ATOM 312 HA SER A 21 -2.093 -29.752 1.543 1.00 0.00 H ATOM 313 HB2 SER A 21 -2.466 -28.843 -0.839 1.00 0.00 H ATOM 314 HB3 SER A 21 -3.997 -28.149 -0.256 1.00 0.00 H ATOM 315 HG SER A 21 -3.264 -30.923 -0.213 1.00 0.00 H ATOM 316 H SER A 21 -4.776 -28.806 1.984 1.00 0.00 H ATOM 317 N TYR A 22 -2.313 -26.560 1.856 1.00 26.45 N ATOM 318 CA TYR A 22 -1.562 -25.296 1.896 1.00 26.67 C ATOM 319 C TYR A 22 -1.546 -24.650 3.288 1.00 27.55 C ATOM 320 O TYR A 22 -1.083 -23.523 3.451 1.00 29.84 O ATOM 321 CB TYR A 22 -2.142 -24.310 0.885 1.00 26.02 C ATOM 322 CG TYR A 22 -1.963 -24.746 -0.550 1.00 24.58 C ATOM 323 CD1 TYR A 22 -0.717 -24.667 -1.168 1.00 23.03 C ATOM 324 CD2 TYR A 22 -3.033 -25.206 -1.295 1.00 23.16 C ATOM 325 CE1 TYR A 22 -0.553 -25.054 -2.508 1.00 22.39 C ATOM 326 CE2 TYR A 22 -2.875 -25.608 -2.605 1.00 22.42 C ATOM 327 CZ TYR A 22 -1.624 -25.534 -3.208 1.00 22.44 C ATOM 328 OH TYR A 22 -1.477 -25.908 -4.517 1.00 22.37 O ATOM 329 HA TYR A 22 -0.531 -25.539 1.641 1.00 0.00 H ATOM 330 HB3 TYR A 22 -1.648 -23.348 1.018 1.00 0.00 H ATOM 331 HB2 TYR A 22 -3.208 -24.200 1.082 1.00 0.00 H ATOM 332 HD2 TYR A 22 -4.021 -25.252 -0.838 1.00 0.00 H ATOM 333 HE2 TYR A 22 -3.730 -25.983 -3.167 1.00 0.00 H ATOM 334 HE1 TYR A 22 0.423 -24.972 -2.987 1.00 0.00 H ATOM 335 HD1 TYR A 22 0.141 -24.300 -0.605 1.00 0.00 H ATOM 336 HH TYR A 22 -0.531 -25.795 -4.787 1.00 0.00 H ATOM 337 H TYR A 22 -3.285 -26.580 2.226 1.00 0.00 H ATOM 338 N SER A 23 -2.058 -25.332 4.307 1.00 27.31 N ATOM 339 CA SER A 23 -2.152 -24.712 5.636 1.00 27.74 C ATOM 340 C SER A 23 -0.922 -24.933 6.528 1.00 27.55 C ATOM 341 O SER A 23 -0.747 -24.215 7.513 1.00 28.24 O ATOM 342 CB SER A 23 -3.413 -25.192 6.363 1.00 28.31 C ATOM 343 OG SER A 23 -3.457 -26.596 6.453 1.00 31.21 O ATOM 344 HA SER A 23 -2.204 -23.639 5.452 1.00 0.00 H ATOM 345 HB2 SER A 23 -4.290 -24.845 5.817 1.00 0.00 H ATOM 346 HB3 SER A 23 -3.423 -24.772 7.369 1.00 0.00 H ATOM 347 HG SER A 23 -2.666 -26.918 6.953 1.00 0.00 H ATOM 348 H SER A 23 -2.393 -26.306 4.164 1.00 0.00 H ATOM 349 N SER A 24 -0.115 -25.946 6.208 1.00 27.43 N ATOM 350 CA SER A 24 1.085 -26.295 6.977 1.00 27.47 C ATOM 351 C SER A 24 2.251 -26.702 6.063 1.00 27.31 C ATOM 352 O SER A 24 3.145 -27.455 6.455 1.00 28.17 O ATOM 353 CB SER A 24 0.777 -27.442 7.943 1.00 28.15 C ATOM 354 OG SER A 24 0.636 -28.665 7.234 1.00 29.89 O ATOM 355 HA SER A 24 1.382 -25.407 7.535 1.00 0.00 H ATOM 356 HB2 SER A 24 -0.150 -27.226 8.473 1.00 0.00 H ATOM 357 HB3 SER A 24 1.592 -27.535 8.661 1.00 0.00 H ATOM 358 HG SER A 24 1.478 -28.866 6.754 1.00 0.00 H ATOM 359 H SER A 24 -0.348 -26.517 5.371 1.00 0.00 H ATOM 360 N TYR A 25 2.302 -26.112 4.874 1.00 25.36 N ATOM 361 CA TYR A 25 3.266 -26.522 3.854 1.00 24.30 C ATOM 362 C TYR A 25 4.547 -25.727 3.939 1.00 23.73 C ATOM 363 O TYR A 25 4.526 -24.488 3.970 1.00 23.62 O ATOM 364 CB TYR A 25 2.614 -26.360 2.487 1.00 23.82 C ATOM 365 CG TYR A 25 3.378 -26.872 1.302 1.00 22.93 C ATOM 366 CD1 TYR A 25 4.417 -26.141 0.751 1.00 21.93 C ATOM 367 CD2 TYR A 25 3.005 -28.044 0.679 1.00 23.69 C ATOM 368 CE1 TYR A 25 5.086 -26.595 -0.353 1.00 22.08 C ATOM 369 CE2 TYR A 25 3.660 -28.490 -0.438 1.00 22.86 C ATOM 370 CZ TYR A 25 4.699 -27.775 -0.954 1.00 22.69 C ATOM 371 OH TYR A 25 5.337 -28.259 -2.073 1.00 24.29 O ATOM 372 HA TYR A 25 3.539 -27.564 4.018 1.00 0.00 H ATOM 373 HB3 TYR A 25 2.439 -25.296 2.330 1.00 0.00 H ATOM 374 HB2 TYR A 25 1.659 -26.884 2.514 1.00 0.00 H ATOM 375 HD2 TYR A 25 2.175 -28.625 1.082 1.00 0.00 H ATOM 376 HE2 TYR A 25 3.349 -29.419 -0.916 1.00 0.00 H ATOM 377 HE1 TYR A 25 5.923 -26.025 -0.757 1.00 0.00 H ATOM 378 HD1 TYR A 25 4.706 -25.192 1.202 1.00 0.00 H ATOM 379 HH TYR A 25 6.065 -27.639 -2.331 1.00 0.00 H ATOM 380 H TYR A 25 1.639 -25.339 4.663 1.00 0.00 H ATOM 381 N GLY A 26 5.677 -26.413 4.006 1.00 23.03 N ATOM 382 CA GLY A 26 6.954 -25.734 4.015 1.00 22.70 C ATOM 383 C GLY A 26 7.156 -24.784 5.170 1.00 22.41 C ATOM 384 O GLY A 26 6.583 -24.960 6.241 1.00 23.32 O ATOM 385 HA3 GLY A 26 7.043 -25.166 3.089 1.00 0.00 H ATOM 386 HA2 GLY A 26 7.740 -26.489 4.054 1.00 0.00 H ATOM 387 H GLY A 26 5.646 -27.451 4.053 1.00 0.00 H ATOM 388 N CYS A 27 7.956 -23.752 4.931 1.00 22.44 N ATOM 389 CA CYS A 27 8.285 -22.809 5.969 1.00 22.43 C ATOM 390 C CYS A 27 7.315 -21.627 6.088 1.00 22.62 C ATOM 391 O CYS A 27 7.280 -20.966 7.118 1.00 23.21 O ATOM 392 CB CYS A 27 9.705 -22.273 5.774 1.00 22.96 C ATOM 393 SG CYS A 27 11.006 -23.515 5.949 1.00 25.41 S ATOM 394 HA CYS A 27 8.204 -23.372 6.899 1.00 0.00 H ATOM 395 HB2 CYS A 27 9.879 -21.491 6.514 1.00 0.00 H ATOM 396 HB3 CYS A 27 9.774 -21.846 4.773 1.00 0.00 H ATOM 397 H CYS A 27 8.352 -23.622 3.978 1.00 0.00 H ATOM 398 N TYR A 28 6.522 -21.373 5.051 1.00 22.53 N ATOM 399 CA TYR A 28 5.711 -20.150 5.007 1.00 22.76 C ATOM 400 C TYR A 28 4.220 -20.334 4.800 1.00 23.54 C ATOM 401 O TYR A 28 3.473 -19.380 5.025 1.00 23.82 O ATOM 402 CB TYR A 28 6.274 -19.206 3.928 1.00 22.18 C ATOM 403 CG TYR A 28 7.584 -18.626 4.361 1.00 21.83 C ATOM 404 CD1 TYR A 28 7.609 -17.538 5.211 1.00 23.62 C ATOM 405 CD2 TYR A 28 8.780 -19.202 4.015 1.00 22.49 C ATOM 406 CE1 TYR A 28 8.808 -17.005 5.668 1.00 23.64 C ATOM 407 CE2 TYR A 28 9.979 -18.682 4.457 1.00 22.93 C ATOM 408 CZ TYR A 28 9.989 -17.571 5.291 1.00 23.96 C ATOM 409 OH TYR A 28 11.185 -17.031 5.738 1.00 26.24 O ATOM 410 HA TYR A 28 5.792 -19.726 6.008 1.00 0.00 H ATOM 411 HB3 TYR A 28 5.564 -18.397 3.755 1.00 0.00 H ATOM 412 HB2 TYR A 28 6.418 -19.765 3.004 1.00 0.00 H ATOM 413 HD2 TYR A 28 8.783 -20.087 3.379 1.00 0.00 H ATOM 414 HE2 TYR A 28 10.918 -19.143 4.152 1.00 0.00 H ATOM 415 HE1 TYR A 28 8.804 -16.136 6.326 1.00 0.00 H ATOM 416 HD1 TYR A 28 6.669 -17.088 5.530 1.00 0.00 H ATOM 417 HH TYR A 28 10.997 -16.250 6.317 1.00 0.00 H ATOM 418 H TYR A 28 6.476 -22.049 4.262 1.00 0.00 H ATOM 419 N CYS A 29 3.763 -21.507 4.379 1.00 24.65 N ATOM 420 CA CYS A 29 2.338 -21.686 4.112 1.00 26.10 C ATOM 421 C CYS A 29 1.672 -21.976 5.423 1.00 29.84 C ATOM 422 O CYS A 29 1.875 -23.049 6.003 1.00 31.35 O ATOM 423 CB CYS A 29 2.077 -22.831 3.140 1.00 25.18 C ATOM 424 SG CYS A 29 2.819 -22.555 1.530 1.00 22.12 S ATOM 425 HA CYS A 29 1.942 -20.782 3.650 1.00 0.00 H ATOM 426 HB2 CYS A 29 1.000 -22.943 3.013 1.00 0.00 H ATOM 427 HB3 CYS A 29 2.489 -23.748 3.562 1.00 0.00 H ATOM 428 H CYS A 29 4.421 -22.300 4.239 1.00 0.00 H ATOM 429 N GLY A 30 0.841 -21.050 5.871 1.00 32.84 N ATOM 430 CA GLY A 30 0.204 -21.222 7.156 1.00 35.80 C ATOM 431 C GLY A 30 0.980 -20.403 8.161 1.00 38.59 C ATOM 432 O GLY A 30 1.236 -19.222 7.950 1.00 39.22 O ATOM 433 HA3 GLY A 30 0.219 -22.274 7.441 1.00 0.00 H ATOM 434 HA2 GLY A 30 -0.828 -20.874 7.110 1.00 0.00 H ATOM 435 H GLY A 30 0.647 -20.202 5.301 1.00 0.00 H ATOM 436 N TRP A 31 1.406 -21.045 9.238 1.00 41.81 N ATOM 437 CA TRP A 31 2.048 -20.342 10.337 1.00 43.57 C ATOM 438 C TRP A 31 3.264 -19.459 10.032 1.00 44.07 C ATOM 439 O TRP A 31 3.568 -18.558 10.814 1.00 44.86 O ATOM 440 CB TRP A 31 2.365 -21.304 11.472 1.00 44.54 C ATOM 441 CG TRP A 31 1.797 -20.696 12.694 1.00 47.25 C ATOM 442 CD1 TRP A 31 0.540 -20.187 12.815 1.00 48.66 C ATOM 443 CD2 TRP A 31 2.462 -20.414 13.926 1.00 49.91 C ATOM 444 NE1 TRP A 31 0.362 -19.642 14.061 1.00 50.17 N ATOM 445 CE2 TRP A 31 1.530 -19.768 14.765 1.00 50.96 C ATOM 446 CE3 TRP A 31 3.744 -20.660 14.422 1.00 51.29 C ATOM 447 CZ2 TRP A 31 1.840 -19.372 16.058 1.00 52.11 C ATOM 448 CZ3 TRP A 31 4.046 -20.265 15.709 1.00 52.18 C ATOM 449 CH2 TRP A 31 3.101 -19.626 16.509 1.00 52.38 C ATOM 450 HA TRP A 31 1.290 -19.611 10.619 1.00 0.00 H ATOM 451 HB2 TRP A 31 1.907 -22.275 11.284 1.00 0.00 H ATOM 452 HB3 TRP A 31 3.443 -21.426 11.575 1.00 0.00 H ATOM 453 HE1 TRP A 31 -0.514 -19.206 14.413 1.00 0.00 H ATOM 454 HD1 TRP A 31 -0.218 -20.209 12.032 1.00 0.00 H ATOM 455 HZ2 TRP A 31 1.103 -18.876 16.690 1.00 0.00 H ATOM 456 HH2 TRP A 31 3.376 -19.322 17.519 1.00 0.00 H ATOM 457 HZ3 TRP A 31 5.042 -20.456 16.107 1.00 0.00 H ATOM 458 HE3 TRP A 31 4.493 -21.155 13.804 1.00 0.00 H ATOM 459 H TRP A 31 1.278 -22.075 9.299 1.00 0.00 H ATOM 460 N GLY A 32 3.940 -19.710 8.912 1.00 43.96 N ATOM 461 CA GLY A 32 5.063 -18.899 8.448 1.00 43.48 C ATOM 462 C GLY A 32 6.129 -18.481 9.445 1.00 42.75 C ATOM 463 O GLY A 32 6.241 -19.050 10.536 1.00 43.18 O ATOM 464 HA3 GLY A 32 4.645 -17.986 8.025 1.00 0.00 H ATOM 465 HA2 GLY A 32 5.564 -19.465 7.663 1.00 0.00 H ATOM 466 H GLY A 32 3.653 -20.527 8.337 1.00 0.00 H ATOM 467 N GLY A 33 6.934 -17.498 9.043 1.00 41.78 N ATOM 468 CA GLY A 33 7.949 -16.920 9.909 1.00 40.54 C ATOM 469 C GLY A 33 9.390 -16.754 9.451 1.00 39.48 C ATOM 470 O GLY A 33 9.902 -15.627 9.429 1.00 40.14 O ATOM 471 HA3 GLY A 33 7.981 -17.543 10.803 1.00 0.00 H ATOM 472 HA2 GLY A 33 7.595 -15.924 10.175 1.00 0.00 H ATOM 473 H GLY A 33 6.833 -17.131 8.075 1.00 0.00 H ATOM 474 N LYS A 34 10.045 -17.850 9.065 1.00 37.15 N ATOM 475 CA LYS A 34 11.499 -17.839 8.923 1.00 35.15 C ATOM 476 C LYS A 34 11.996 -18.919 7.981 1.00 32.37 C ATOM 477 O LYS A 34 11.261 -19.820 7.604 1.00 30.87 O ATOM 478 CB LYS A 34 12.168 -18.040 10.299 1.00 35.76 C ATOM 479 CG LYS A 34 11.559 -17.251 11.454 1.00 38.34 C ATOM 480 CD LYS A 34 12.259 -17.577 12.776 1.00 41.26 C ATOM 481 CE LYS A 34 12.296 -19.070 13.047 1.00 43.38 C ATOM 482 NZ LYS A 34 13.380 -19.768 12.297 1.00 44.91 N ATOM 483 HA LYS A 34 11.766 -16.869 8.503 1.00 0.00 H ATOM 484 HB2 LYS A 34 12.108 -19.099 10.549 1.00 0.00 H ATOM 485 HB3 LYS A 34 13.214 -17.748 10.209 1.00 0.00 H ATOM 486 HG2 LYS A 34 11.662 -16.185 11.250 1.00 0.00 H ATOM 487 HG3 LYS A 34 10.502 -17.503 11.539 1.00 0.00 H ATOM 488 HD2 LYS A 34 13.281 -17.201 12.735 1.00 0.00 H ATOM 489 HD3 LYS A 34 11.724 -17.085 13.588 1.00 0.00 H ATOM 490 HE2 LYS A 34 11.338 -19.501 12.756 1.00 0.00 H ATOM 491 HE3 LYS A 34 12.454 -19.227 14.114 1.00 0.00 H ATOM 492 HZ1 LYS A 34 13.235 -19.634 11.276 1.00 0.00 H ATOM 493 HZ2 LYS A 34 14.301 -19.372 12.573 1.00 0.00 H ATOM 494 HZ3 LYS A 34 13.357 -20.783 12.521 1.00 0.00 H ATOM 495 H LYS A 34 9.515 -18.722 8.863 1.00 0.00 H ATOM 496 N GLY A 35 13.247 -18.803 7.567 1.00 30.19 N ATOM 497 CA GLY A 35 13.847 -19.812 6.724 1.00 29.52 C ATOM 498 C GLY A 35 13.812 -19.525 5.239 1.00 28.25 C ATOM 499 O GLY A 35 13.169 -18.583 4.764 1.00 26.61 O ATOM 500 HA3 GLY A 35 13.321 -20.751 6.897 1.00 0.00 H ATOM 501 HA2 GLY A 35 14.890 -19.921 7.021 1.00 0.00 H ATOM 502 H GLY A 35 13.807 -17.974 7.852 1.00 0.00 H ATOM 503 N THR A 36 14.527 -20.352 4.504 1.00 28.07 N ATOM 504 CA THR A 36 14.513 -20.294 3.060 1.00 27.82 C ATOM 505 C THR A 36 13.307 -21.102 2.599 1.00 26.43 C ATOM 506 O THR A 36 13.171 -22.267 2.990 1.00 26.07 O ATOM 507 CB THR A 36 15.811 -20.913 2.520 1.00 28.62 C ATOM 508 OG1 THR A 36 16.939 -20.097 2.899 1.00 31.15 O ATOM 509 CG2 THR A 36 15.820 -20.942 1.005 1.00 29.20 C ATOM 510 HA THR A 36 14.447 -19.268 2.697 1.00 0.00 H ATOM 511 HB THR A 36 15.872 -21.921 2.930 1.00 0.00 H ATOM 512 HG1 THR A 36 16.829 -19.188 2.522 1.00 0.00 H ATOM 513 HG23 THR A 36 14.986 -21.547 0.649 1.00 0.00 H ATOM 514 HG21 THR A 36 15.722 -19.926 0.623 1.00 0.00 H ATOM 515 HG22 THR A 36 16.758 -21.374 0.657 1.00 0.00 H ATOM 516 H THR A 36 15.118 -21.066 4.976 1.00 0.00 H ATOM 517 N PRO A 37 12.408 -20.511 1.801 1.00 24.99 N ATOM 518 CA PRO A 37 11.268 -21.278 1.304 1.00 24.42 C ATOM 519 C PRO A 37 11.769 -22.553 0.625 1.00 24.46 C ATOM 520 O PRO A 37 12.834 -22.563 -0.010 1.00 25.60 O ATOM 521 CB PRO A 37 10.584 -20.313 0.332 1.00 24.51 C ATOM 522 CG PRO A 37 10.990 -18.988 0.784 1.00 25.39 C ATOM 523 CD PRO A 37 12.373 -19.115 1.317 1.00 25.30 C ATOM 524 HA PRO A 37 10.577 -21.614 2.077 1.00 0.00 H ATOM 525 HD3 PRO A 37 13.113 -18.952 0.534 1.00 0.00 H ATOM 526 HD2 PRO A 37 12.547 -18.412 2.132 1.00 0.00 H ATOM 527 HG3 PRO A 37 10.318 -18.637 1.567 1.00 0.00 H ATOM 528 HG2 PRO A 37 10.973 -18.286 -0.050 1.00 0.00 H ATOM 529 HB2 PRO A 37 10.921 -20.492 -0.689 1.00 0.00 H ATOM 530 HB3 PRO A 37 9.500 -20.421 0.380 1.00 0.00 H ATOM 531 N LYS A 38 11.029 -23.636 0.800 1.00 23.81 N ATOM 532 CA LYS A 38 11.481 -24.956 0.357 1.00 24.67 C ATOM 533 C LYS A 38 11.370 -25.205 -1.133 1.00 24.34 C ATOM 534 O LYS A 38 12.084 -26.052 -1.684 1.00 25.58 O ATOM 535 CB LYS A 38 10.645 -26.028 1.061 1.00 25.11 C ATOM 536 CG LYS A 38 10.756 -26.084 2.586 1.00 27.01 C ATOM 537 CD LYS A 38 12.190 -25.920 3.059 1.00 28.11 C ATOM 538 CE LYS A 38 13.053 -27.070 2.571 1.00 29.57 C ATOM 539 NZ LYS A 38 14.457 -26.945 3.026 1.00 32.25 N ATOM 540 HA LYS A 38 12.541 -24.998 0.610 1.00 0.00 H ATOM 541 HB2 LYS A 38 9.599 -25.851 0.811 1.00 0.00 H ATOM 542 HB3 LYS A 38 10.952 -26.998 0.670 1.00 0.00 H ATOM 543 HG2 LYS A 38 10.151 -25.284 3.013 1.00 0.00 H ATOM 544 HG3 LYS A 38 10.379 -27.047 2.931 1.00 0.00 H ATOM 545 HD2 LYS A 38 12.590 -24.983 2.671 1.00 0.00 H ATOM 546 HD3 LYS A 38 12.207 -25.897 4.149 1.00 0.00 H ATOM 547 HE2 LYS A 38 13.036 -27.085 1.481 1.00 0.00 H ATOM 548 HE3 LYS A 38 12.642 -28.005 2.952 1.00 0.00 H ATOM 549 HZ1 LYS A 38 14.861 -26.059 2.661 1.00 0.00 H ATOM 550 HZ2 LYS A 38 14.484 -26.938 4.066 1.00 0.00 H ATOM 551 HZ3 LYS A 38 15.009 -27.751 2.670 1.00 0.00 H ATOM 552 H LYS A 38 10.103 -23.547 1.264 1.00 0.00 H ATOM 553 N ASP A 39 10.429 -24.523 -1.784 1.00 23.56 N ATOM 554 CA ASP A 39 10.158 -24.748 -3.181 1.00 22.59 C ATOM 555 C ASP A 39 9.254 -23.634 -3.700 1.00 21.47 C ATOM 556 O ASP A 39 8.881 -22.731 -2.954 1.00 21.47 O ATOM 557 CB ASP A 39 9.553 -26.137 -3.438 1.00 22.66 C ATOM 558 CG ASP A 39 8.142 -26.288 -2.948 1.00 22.75 C ATOM 559 OD1 ASP A 39 7.568 -25.353 -2.325 1.00 21.25 O ATOM 560 OD2 ASP A 39 7.511 -27.344 -3.150 1.00 23.36 O ATOM 561 HA ASP A 39 11.101 -24.727 -3.727 1.00 0.00 H ATOM 562 HB2 ASP A 39 9.565 -26.323 -4.512 1.00 0.00 H ATOM 563 HB3 ASP A 39 10.172 -26.880 -2.935 1.00 0.00 H ATOM 564 H ASP A 39 9.875 -23.809 -1.270 1.00 0.00 H ATOM 565 N ALA A 40 8.917 -23.685 -4.973 1.00 21.08 N ATOM 566 CA ALA A 40 8.097 -22.635 -5.564 1.00 21.11 C ATOM 567 C ALA A 40 6.782 -22.369 -4.824 1.00 20.76 C ATOM 568 O ALA A 40 6.413 -21.219 -4.618 1.00 20.28 O ATOM 569 CB ALA A 40 7.830 -22.929 -7.014 1.00 21.92 C ATOM 570 HA ALA A 40 8.681 -21.719 -5.470 1.00 0.00 H ATOM 571 HB1 ALA A 40 8.776 -22.985 -7.552 1.00 0.00 H ATOM 572 HB2 ALA A 40 7.304 -23.880 -7.100 1.00 0.00 H ATOM 573 HB3 ALA A 40 7.216 -22.134 -7.438 1.00 0.00 H ATOM 574 H ALA A 40 9.239 -24.481 -5.560 1.00 0.00 H ATOM 575 N THR A 41 6.058 -23.426 -4.471 1.00 19.90 N ATOM 576 CA THR A 41 4.820 -23.271 -3.725 1.00 19.39 C ATOM 577 C THR A 41 5.046 -22.540 -2.416 1.00 19.37 C ATOM 578 O THR A 41 4.293 -21.625 -2.072 1.00 18.89 O ATOM 579 CB THR A 41 4.206 -24.636 -3.464 1.00 20.23 C ATOM 580 OG1 THR A 41 3.674 -25.150 -4.692 1.00 21.55 O ATOM 581 CG2 THR A 41 3.031 -24.498 -2.496 1.00 20.76 C ATOM 582 HA THR A 41 4.135 -22.671 -4.324 1.00 0.00 H ATOM 583 HB THR A 41 4.972 -25.293 -3.052 1.00 0.00 H ATOM 584 HG1 THR A 41 4.403 -25.232 -5.357 1.00 0.00 H ATOM 585 HG23 THR A 41 3.390 -24.108 -1.544 1.00 0.00 H ATOM 586 HG21 THR A 41 2.295 -23.813 -2.916 1.00 0.00 H ATOM 587 HG22 THR A 41 2.573 -25.475 -2.341 1.00 0.00 H ATOM 588 H THR A 41 6.382 -24.379 -4.733 1.00 0.00 H ATOM 589 N ASP A 42 6.095 -22.891 -1.690 1.00 18.45 N ATOM 590 CA ASP A 42 6.412 -22.236 -0.429 1.00 18.85 C ATOM 591 C ASP A 42 6.768 -20.765 -0.693 1.00 18.98 C ATOM 592 O ASP A 42 6.422 -19.889 0.106 1.00 19.51 O ATOM 593 CB ASP A 42 7.574 -22.971 0.248 1.00 18.85 C ATOM 594 CG ASP A 42 7.682 -22.725 1.729 1.00 20.49 C ATOM 595 OD1 ASP A 42 6.728 -22.189 2.355 1.00 21.63 O ATOM 596 OD2 ASP A 42 8.728 -23.100 2.324 1.00 21.66 O ATOM 597 HA ASP A 42 5.550 -22.267 0.237 1.00 0.00 H ATOM 598 HB2 ASP A 42 7.441 -24.041 0.088 1.00 0.00 H ATOM 599 HB3 ASP A 42 8.503 -22.647 -0.221 1.00 0.00 H ATOM 600 H ASP A 42 6.711 -23.657 -2.030 1.00 0.00 H ATOM 601 N ARG A 43 7.445 -20.495 -1.809 1.00 18.69 N ATOM 602 CA ARG A 43 7.749 -19.116 -2.178 1.00 18.95 C ATOM 603 C ARG A 43 6.462 -18.339 -2.437 1.00 18.69 C ATOM 604 O ARG A 43 6.412 -17.155 -2.122 1.00 18.01 O ATOM 605 CB ARG A 43 8.673 -19.015 -3.386 1.00 18.92 C ATOM 606 CG ARG A 43 10.091 -19.440 -3.083 1.00 21.02 C ATOM 607 CD ARG A 43 11.097 -19.107 -4.146 1.00 22.91 C ATOM 608 NE ARG A 43 10.962 -19.946 -5.332 1.00 23.80 N ATOM 609 CZ ARG A 43 11.486 -21.162 -5.475 1.00 26.31 C ATOM 610 NH1 ARG A 43 12.169 -21.733 -4.486 1.00 26.08 N ATOM 611 NH2 ARG A 43 11.304 -21.818 -6.614 1.00 27.10 N ATOM 612 HA ARG A 43 8.280 -18.676 -1.333 1.00 0.00 H ATOM 613 HB2 ARG A 43 8.281 -19.653 -4.178 1.00 0.00 H ATOM 614 HB3 ARG A 43 8.686 -17.980 -3.728 1.00 0.00 H ATOM 615 HG2 ARG A 43 10.400 -18.950 -2.160 1.00 0.00 H ATOM 616 HG3 ARG A 43 10.096 -20.520 -2.939 1.00 0.00 H ATOM 617 HD2 ARG A 43 12.097 -19.243 -3.735 1.00 0.00 H ATOM 618 HD3 ARG A 43 10.964 -18.065 -4.438 1.00 0.00 H ATOM 619 HE ARG A 43 10.413 -19.564 -6.129 1.00 0.00 H ATOM 620 HH12 ARG A 43 12.572 -22.683 -4.613 1.00 0.00 H ATOM 621 HH11 ARG A 43 12.300 -21.229 -3.586 1.00 0.00 H ATOM 622 HH22 ARG A 43 11.708 -22.768 -6.737 1.00 0.00 H ATOM 623 HH21 ARG A 43 10.757 -21.382 -7.384 1.00 0.00 H ATOM 624 H ARG A 43 7.759 -21.274 -2.422 1.00 0.00 H ATOM 625 N CYS A 44 5.448 -18.985 -3.010 1.00 18.62 N ATOM 626 CA CYS A 44 4.129 -18.318 -3.132 1.00 18.08 C ATOM 627 C CYS A 44 3.675 -17.824 -1.759 1.00 18.52 C ATOM 628 O CYS A 44 3.136 -16.713 -1.581 1.00 18.58 O ATOM 629 CB CYS A 44 3.043 -19.235 -3.675 1.00 19.02 C ATOM 630 SG CYS A 44 3.374 -19.912 -5.296 1.00 20.92 S ATOM 631 HA CYS A 44 4.266 -17.496 -3.835 1.00 0.00 H ATOM 632 HB2 CYS A 44 2.114 -18.667 -3.728 1.00 0.00 H ATOM 633 HB3 CYS A 44 2.921 -20.065 -2.979 1.00 0.00 H ATOM 634 H CYS A 44 5.580 -19.952 -3.370 1.00 0.00 H ATOM 635 N CYS A 45 3.842 -18.680 -0.766 1.00 18.62 N ATOM 636 CA CYS A 45 3.421 -18.344 0.583 1.00 18.50 C ATOM 637 C CYS A 45 4.284 -17.258 1.204 1.00 18.12 C ATOM 638 O CYS A 45 3.772 -16.416 1.920 1.00 18.55 O ATOM 639 CB CYS A 45 3.416 -19.580 1.462 1.00 18.68 C ATOM 640 SG CYS A 45 2.152 -20.732 0.932 1.00 20.69 S ATOM 641 HA CYS A 45 2.407 -17.950 0.512 1.00 0.00 H ATOM 642 HB2 CYS A 45 3.221 -19.285 2.493 1.00 0.00 H ATOM 643 HB3 CYS A 45 4.390 -20.065 1.402 1.00 0.00 H ATOM 644 H CYS A 45 4.280 -19.605 -0.953 1.00 0.00 H ATOM 645 N PHE A 46 5.590 -17.278 0.974 1.00 18.08 N ATOM 646 CA PHE A 46 6.469 -16.234 1.464 1.00 18.11 C ATOM 647 C PHE A 46 6.011 -14.885 0.913 1.00 17.58 C ATOM 648 O PHE A 46 5.872 -13.916 1.658 1.00 17.74 O ATOM 649 CB PHE A 46 7.917 -16.511 1.029 1.00 18.83 C ATOM 650 CG PHE A 46 8.874 -15.451 1.446 1.00 20.04 C ATOM 651 CD1 PHE A 46 9.458 -15.502 2.675 1.00 24.05 C ATOM 652 CD2 PHE A 46 9.165 -14.388 0.622 1.00 22.52 C ATOM 653 CE1 PHE A 46 10.313 -14.524 3.093 1.00 24.84 C ATOM 654 CE2 PHE A 46 10.028 -13.395 1.048 1.00 21.84 C ATOM 655 CZ PHE A 46 10.591 -13.460 2.270 1.00 22.80 C ATOM 656 HA PHE A 46 6.429 -16.215 2.553 1.00 0.00 H ATOM 657 HB2 PHE A 46 8.235 -17.456 1.469 1.00 0.00 H ATOM 658 HB3 PHE A 46 7.942 -16.591 -0.058 1.00 0.00 H ATOM 659 HD2 PHE A 46 8.714 -14.329 -0.369 1.00 0.00 H ATOM 660 HE2 PHE A 46 10.254 -12.555 0.391 1.00 0.00 H ATOM 661 HZ PHE A 46 11.265 -12.671 2.605 1.00 0.00 H ATOM 662 HE1 PHE A 46 10.775 -14.587 4.078 1.00 0.00 H ATOM 663 HD1 PHE A 46 9.238 -16.340 3.337 1.00 0.00 H ATOM 664 H PHE A 46 5.995 -18.064 0.427 1.00 0.00 H ATOM 665 N VAL A 47 5.805 -14.812 -0.397 1.00 16.43 N ATOM 666 CA VAL A 47 5.373 -13.556 -1.015 1.00 16.63 C ATOM 667 C VAL A 47 4.003 -13.120 -0.473 1.00 17.11 C ATOM 668 O VAL A 47 3.770 -11.934 -0.215 1.00 17.68 O ATOM 669 CB VAL A 47 5.376 -13.716 -2.543 1.00 16.45 C ATOM 670 CG1 VAL A 47 4.662 -12.535 -3.259 1.00 17.50 C ATOM 671 CG2 VAL A 47 6.796 -13.856 -3.019 1.00 16.18 C ATOM 672 HA VAL A 47 6.072 -12.760 -0.757 1.00 0.00 H ATOM 673 HB VAL A 47 4.813 -14.614 -2.797 1.00 0.00 H ATOM 674 HG11 VAL A 47 3.626 -12.483 -2.926 1.00 0.00 H ATOM 675 HG12 VAL A 47 5.171 -11.603 -3.015 1.00 0.00 H ATOM 676 HG13 VAL A 47 4.691 -12.695 -4.337 1.00 0.00 H ATOM 677 HG21 VAL A 47 7.360 -12.966 -2.741 1.00 0.00 H ATOM 678 HG22 VAL A 47 7.248 -14.733 -2.556 1.00 0.00 H ATOM 679 HG23 VAL A 47 6.805 -13.970 -4.103 1.00 0.00 H ATOM 680 H VAL A 47 5.952 -15.654 -0.989 1.00 0.00 H ATOM 681 N HIS A 48 3.101 -14.065 -0.264 1.00 16.67 N ATOM 682 CA HIS A 48 1.783 -13.751 0.273 1.00 16.13 C ATOM 683 C HIS A 48 1.886 -13.191 1.681 1.00 16.85 C ATOM 684 O HIS A 48 1.190 -12.236 2.029 1.00 17.31 O ATOM 685 CB HIS A 48 0.942 -15.016 0.244 1.00 16.69 C ATOM 686 CG HIS A 48 -0.467 -14.820 0.676 1.00 16.52 C ATOM 687 ND1 HIS A 48 -0.956 -15.341 1.858 1.00 18.18 N ATOM 688 CD2 HIS A 48 -1.500 -14.191 0.083 1.00 16.96 C ATOM 689 CE1 HIS A 48 -2.236 -15.036 1.963 1.00 18.17 C ATOM 690 NE2 HIS A 48 -2.592 -14.333 0.908 1.00 17.40 N ATOM 691 HA HIS A 48 1.309 -12.982 -0.338 1.00 0.00 H ATOM 692 HB2 HIS A 48 0.937 -15.400 -0.776 1.00 0.00 H ATOM 693 HB3 HIS A 48 1.404 -15.749 0.905 1.00 0.00 H ATOM 694 HD2 HIS A 48 -1.475 -13.667 -0.873 1.00 0.00 H ATOM 695 HE1 HIS A 48 -2.890 -15.319 2.787 1.00 0.00 H ATOM 696 H HIS A 48 3.337 -15.053 -0.488 1.00 0.00 H ATOM 697 N ASP A 49 2.779 -13.765 2.474 1.00 17.07 N ATOM 698 CA ASP A 49 3.053 -13.255 3.825 1.00 18.37 C ATOM 699 C ASP A 49 3.565 -11.808 3.703 1.00 18.41 C ATOM 700 O ASP A 49 3.161 -10.932 4.454 1.00 19.08 O ATOM 701 CB ASP A 49 4.095 -14.088 4.566 1.00 19.38 C ATOM 702 CG ASP A 49 3.557 -15.404 5.101 1.00 23.30 C ATOM 703 OD1 ASP A 49 2.373 -15.755 4.906 1.00 25.30 O ATOM 704 OD2 ASP A 49 4.318 -16.169 5.710 1.00 27.92 O ATOM 705 HA ASP A 49 2.127 -13.307 4.398 1.00 0.00 H ATOM 706 HB2 ASP A 49 4.914 -14.304 3.880 1.00 0.00 H ATOM 707 HB3 ASP A 49 4.470 -13.503 5.405 1.00 0.00 H ATOM 708 H ASP A 49 3.299 -14.598 2.132 1.00 0.00 H ATOM 709 N CYS A 50 4.475 -11.564 2.768 1.00 17.80 N ATOM 710 CA CYS A 50 5.005 -10.209 2.575 1.00 18.00 C ATOM 711 C CYS A 50 3.904 -9.262 2.114 1.00 17.83 C ATOM 712 O CYS A 50 3.856 -8.088 2.504 1.00 19.01 O ATOM 713 CB CYS A 50 6.120 -10.254 1.522 1.00 18.26 C ATOM 714 SG CYS A 50 7.622 -11.122 2.042 1.00 19.01 S ATOM 715 HA CYS A 50 5.400 -9.843 3.523 1.00 0.00 H ATOM 716 HB2 CYS A 50 6.391 -9.229 1.270 1.00 0.00 H ATOM 717 HB3 CYS A 50 5.729 -10.753 0.635 1.00 0.00 H ATOM 718 H CYS A 50 4.816 -12.341 2.166 1.00 0.00 H ATOM 719 N CYS A 51 3.020 -9.752 1.257 1.00 17.37 N ATOM 720 CA CYS A 51 1.901 -8.979 0.749 1.00 17.46 C ATOM 721 C CYS A 51 0.981 -8.523 1.895 1.00 18.39 C ATOM 722 O CYS A 51 0.661 -7.340 2.007 1.00 18.26 O ATOM 723 CB CYS A 51 1.170 -9.796 -0.303 1.00 16.81 C ATOM 724 SG CYS A 51 0.122 -8.851 -1.418 1.00 16.67 S ATOM 725 HA CYS A 51 2.264 -8.067 0.275 1.00 0.00 H ATOM 726 HB2 CYS A 51 0.544 -10.525 0.211 1.00 0.00 H ATOM 727 HB3 CYS A 51 1.916 -10.318 -0.903 1.00 0.00 H ATOM 728 H CYS A 51 3.133 -10.734 0.934 1.00 0.00 H ATOM 729 N TYR A 52 0.632 -9.436 2.782 1.00 17.87 N ATOM 730 CA TYR A 52 -0.140 -9.101 3.968 1.00 18.61 C ATOM 731 C TYR A 52 0.650 -8.113 4.826 1.00 19.85 C ATOM 732 O TYR A 52 0.075 -7.200 5.405 1.00 20.91 O ATOM 733 CB TYR A 52 -0.485 -10.364 4.772 1.00 17.92 C ATOM 734 CG TYR A 52 -1.687 -11.162 4.288 1.00 17.23 C ATOM 735 CD1 TYR A 52 -2.367 -10.854 3.109 1.00 16.44 C ATOM 736 CD2 TYR A 52 -2.123 -12.236 5.020 1.00 17.47 C ATOM 737 CE1 TYR A 52 -3.469 -11.586 2.708 1.00 18.01 C ATOM 738 CE2 TYR A 52 -3.210 -12.967 4.623 1.00 17.85 C ATOM 739 CZ TYR A 52 -3.880 -12.644 3.483 1.00 18.08 C ATOM 740 OH TYR A 52 -4.966 -13.425 3.132 1.00 18.38 O ATOM 741 HA TYR A 52 -1.078 -8.638 3.661 1.00 0.00 H ATOM 742 HB3 TYR A 52 -0.679 -10.061 5.801 1.00 0.00 H ATOM 743 HB2 TYR A 52 0.383 -11.022 4.746 1.00 0.00 H ATOM 744 HD2 TYR A 52 -1.595 -12.512 5.933 1.00 0.00 H ATOM 745 HE2 TYR A 52 -3.541 -13.814 5.224 1.00 0.00 H ATOM 746 HE1 TYR A 52 -4.003 -11.329 1.793 1.00 0.00 H ATOM 747 HD1 TYR A 52 -2.023 -10.022 2.494 1.00 0.00 H ATOM 748 HH TYR A 52 -5.358 -13.083 2.290 1.00 0.00 H ATOM 749 H TYR A 52 0.918 -10.424 2.628 1.00 0.00 H ATOM 750 N GLY A 53 1.963 -8.307 4.912 1.00 20.32 N ATOM 751 CA GLY A 53 2.820 -7.424 5.697 1.00 21.22 C ATOM 752 C GLY A 53 2.856 -5.997 5.139 1.00 21.97 C ATOM 753 O GLY A 53 3.199 -5.062 5.898 1.00 24.31 O ATOM 754 HA3 GLY A 53 3.833 -7.826 5.695 1.00 0.00 H ATOM 755 HA2 GLY A 53 2.445 -7.391 6.720 1.00 0.00 H ATOM 756 H GLY A 53 2.390 -9.109 4.406 1.00 0.00 H ATOM 757 N ASN A 54 2.523 -5.788 3.870 1.00 22.53 N ATOM 758 CA ASN A 54 2.438 -4.447 3.284 1.00 23.17 C ATOM 759 C ASN A 54 1.216 -3.702 3.850 1.00 23.04 C ATOM 760 O ASN A 54 1.075 -2.513 3.575 1.00 23.84 O ATOM 761 CB ASN A 54 2.210 -4.461 1.746 1.00 24.32 C ATOM 762 CG ASN A 54 3.340 -5.098 0.933 1.00 23.84 C ATOM 763 OD1 ASN A 54 3.081 -5.736 -0.137 1.00 26.72 O ATOM 764 ND2 ASN A 54 4.574 -4.939 1.395 1.00 23.84 N ATOM 765 HA ASN A 54 3.390 -3.973 3.523 1.00 0.00 H ATOM 766 HB2 ASN A 54 1.293 -5.015 1.544 1.00 0.00 H ATOM 767 HB3 ASN A 54 2.091 -3.430 1.412 1.00 0.00 H ATOM 768 HD22 ASN A 54 4.735 -4.409 2.275 1.00 0.00 H ATOM 769 HD21 ASN A 54 5.379 -5.345 0.877 1.00 0.00 H ATOM 770 H ASN A 54 2.314 -6.610 3.268 1.00 0.00 H ATOM 771 N LEU A 55 0.347 -4.424 4.580 1.00 22.40 N ATOM 772 CA LEU A 55 -0.975 -3.958 5.037 1.00 22.21 C ATOM 773 C LEU A 55 -1.151 -4.087 6.562 1.00 22.41 C ATOM 774 O LEU A 55 -2.068 -4.763 7.073 1.00 21.40 O ATOM 775 CB LEU A 55 -2.073 -4.789 4.351 1.00 21.64 C ATOM 776 CG LEU A 55 -1.942 -5.008 2.855 1.00 21.92 C ATOM 777 CD1 LEU A 55 -2.993 -5.979 2.347 1.00 21.37 C ATOM 778 CD2 LEU A 55 -1.999 -3.648 2.160 1.00 22.59 C ATOM 779 HA LEU A 55 -1.052 -2.903 4.774 1.00 0.00 H ATOM 780 HB2 LEU A 55 -2.088 -5.770 4.827 1.00 0.00 H ATOM 781 HB3 LEU A 55 -3.024 -4.286 4.527 1.00 0.00 H ATOM 782 HG LEU A 55 -0.983 -5.472 2.624 1.00 0.00 H ATOM 783 HD21 LEU A 55 -2.951 -3.166 2.385 1.00 0.00 H ATOM 784 HD22 LEU A 55 -1.181 -3.024 2.519 1.00 0.00 H ATOM 785 HD23 LEU A 55 -1.906 -3.788 1.083 1.00 0.00 H ATOM 786 HD11 LEU A 55 -2.873 -6.938 2.851 1.00 0.00 H ATOM 787 HD12 LEU A 55 -3.986 -5.579 2.555 1.00 0.00 H ATOM 788 HD13 LEU A 55 -2.872 -6.114 1.272 1.00 0.00 H ATOM 789 H LEU A 55 0.631 -5.389 4.843 1.00 0.00 H ATOM 790 N PRO A 56 -0.306 -3.406 7.325 1.00 23.19 N ATOM 791 CA PRO A 56 -0.278 -3.578 8.783 1.00 23.75 C ATOM 792 C PRO A 56 -1.536 -3.106 9.516 1.00 24.30 C ATOM 793 O PRO A 56 -1.818 -3.603 10.613 1.00 24.21 O ATOM 794 CB PRO A 56 0.958 -2.744 9.178 1.00 24.30 C ATOM 795 CG PRO A 56 1.019 -1.743 8.179 1.00 24.55 C ATOM 796 CD PRO A 56 0.739 -2.474 6.873 1.00 24.38 C ATOM 797 HA PRO A 56 -0.235 -4.630 9.064 1.00 0.00 H ATOM 798 HD3 PRO A 56 0.373 -1.798 6.100 1.00 0.00 H ATOM 799 HD2 PRO A 56 1.620 -3.000 6.506 1.00 0.00 H ATOM 800 HG3 PRO A 56 2.007 -1.283 8.157 1.00 0.00 H ATOM 801 HG2 PRO A 56 0.266 -0.976 8.358 1.00 0.00 H ATOM 802 HB2 PRO A 56 0.829 -2.301 10.166 1.00 0.00 H ATOM 803 HB3 PRO A 56 1.860 -3.357 9.171 1.00 0.00 H ATOM 804 N ASP A 59 -2.330 -2.268 8.783 1.00 21.85 N ATOM 805 CA ASP A 59 -3.563 -1.818 9.428 1.00 21.05 C ATOM 806 C ASP A 59 -4.818 -2.440 8.789 1.00 20.23 C ATOM 807 O ASP A 59 -5.968 -1.999 8.958 1.00 20.31 O ATOM 808 CB ASP A 59 -3.580 -0.287 9.382 1.00 22.25 C ATOM 809 CG ASP A 59 -2.518 0.330 10.259 1.00 25.55 C ATOM 810 OD1 ASP A 59 -2.121 -0.294 11.276 1.00 26.81 O ATOM 811 OD2 ASP A 59 -2.045 1.456 9.994 1.00 30.02 O ATOM 812 HA ASP A 59 -3.583 -2.155 10.465 1.00 0.00 H ATOM 813 HB2 ASP A 59 -3.414 0.034 8.354 1.00 0.00 H ATOM 814 HB3 ASP A 59 -4.557 0.062 9.717 1.00 0.00 H ATOM 815 H ASP A 59 -2.072 -1.968 7.821 1.00 0.00 H ATOM 816 N CYS A 61 -4.633 -3.531 8.034 1.00 18.15 N ATOM 817 CA CYS A 61 -5.718 -4.356 7.528 1.00 17.68 C ATOM 818 C CYS A 61 -5.734 -5.669 8.269 1.00 17.72 C ATOM 819 O CYS A 61 -4.799 -5.979 9.015 1.00 20.32 O ATOM 820 CB CYS A 61 -5.537 -4.624 6.025 1.00 17.86 C ATOM 821 SG CYS A 61 -5.425 -3.134 5.034 1.00 18.00 S ATOM 822 HA CYS A 61 -6.660 -3.829 7.680 1.00 0.00 H ATOM 823 HB2 CYS A 61 -6.388 -5.207 5.674 1.00 0.00 H ATOM 824 HB3 CYS A 61 -4.622 -5.200 5.886 1.00 0.00 H ATOM 825 H CYS A 61 -3.658 -3.803 7.796 1.00 0.00 H ATOM 826 N ASN A 67 -6.889 -6.429 8.120 1.00 18.01 N ATOM 827 CA ASN A 67 -7.086 -7.631 8.891 1.00 18.99 C ATOM 828 C ASN A 67 -7.480 -8.759 7.951 1.00 19.96 C ATOM 829 O ASN A 67 -8.626 -9.122 7.840 1.00 20.72 O ATOM 830 CB ASN A 67 -8.118 -7.370 9.997 1.00 18.99 C ATOM 831 CG ASN A 67 -7.595 -6.374 11.040 1.00 20.43 C ATOM 832 OD1 ASN A 67 -6.906 -6.760 11.993 1.00 23.35 O ATOM 833 ND2 ASN A 67 -7.872 -5.097 10.836 1.00 19.25 N ATOM 834 HA ASN A 67 -6.166 -7.934 9.392 1.00 0.00 H ATOM 835 HB2 ASN A 67 -9.024 -6.966 9.546 1.00 0.00 H ATOM 836 HB3 ASN A 67 -8.350 -8.312 10.493 1.00 0.00 H ATOM 837 HD22 ASN A 67 -8.455 -4.815 10.022 1.00 0.00 H ATOM 838 HD21 ASN A 67 -7.507 -4.375 11.489 1.00 0.00 H ATOM 839 H ASN A 67 -7.619 -6.127 7.444 1.00 0.00 H ATOM 840 N PRO A 68 -6.508 -9.307 7.239 1.00 22.08 N ATOM 841 CA PRO A 68 -6.817 -10.281 6.184 1.00 23.42 C ATOM 842 C PRO A 68 -7.468 -11.599 6.590 1.00 25.34 C ATOM 843 O PRO A 68 -8.108 -12.228 5.754 1.00 25.85 O ATOM 844 CB PRO A 68 -5.457 -10.577 5.550 1.00 23.73 C ATOM 845 CG PRO A 68 -4.490 -9.739 6.149 1.00 23.94 C ATOM 846 CD PRO A 68 -5.076 -9.019 7.350 1.00 22.28 C ATOM 847 HA PRO A 68 -7.576 -9.836 5.541 1.00 0.00 H ATOM 848 HD3 PRO A 68 -4.668 -9.412 8.281 1.00 0.00 H ATOM 849 HD2 PRO A 68 -4.886 -7.947 7.296 1.00 0.00 H ATOM 850 HG3 PRO A 68 -4.152 -9.003 5.419 1.00 0.00 H ATOM 851 HG2 PRO A 68 -3.643 -10.344 6.472 1.00 0.00 H ATOM 852 HB2 PRO A 68 -5.193 -11.621 5.717 1.00 0.00 H ATOM 853 HB3 PRO A 68 -5.500 -10.381 4.479 1.00 0.00 H ATOM 854 N LYS A 69 -7.319 -12.034 7.830 1.00 25.97 N ATOM 855 CA LYS A 69 -7.966 -13.265 8.217 1.00 27.09 C ATOM 856 C LYS A 69 -9.479 -13.148 8.265 1.00 27.02 C ATOM 857 O LYS A 69 -10.199 -14.104 7.942 1.00 27.66 O ATOM 858 CB LYS A 69 -7.429 -13.746 9.563 1.00 28.23 C ATOM 859 CG LYS A 69 -5.986 -14.165 9.465 1.00 31.23 C ATOM 860 CD LYS A 69 -5.664 -14.735 8.108 1.00 34.68 C ATOM 861 CE LYS A 69 -4.363 -15.480 8.093 1.00 36.52 C ATOM 862 NZ LYS A 69 -4.147 -16.000 6.715 1.00 37.40 N ATOM 863 HA LYS A 69 -7.731 -13.999 7.447 1.00 0.00 H ATOM 864 HB2 LYS A 69 -7.514 -12.937 10.288 1.00 0.00 H ATOM 865 HB3 LYS A 69 -8.023 -14.596 9.898 1.00 0.00 H ATOM 866 HG2 LYS A 69 -5.352 -13.296 9.643 1.00 0.00 H ATOM 867 HG3 LYS A 69 -5.785 -14.922 10.223 1.00 0.00 H ATOM 868 HD2 LYS A 69 -6.462 -15.418 7.817 1.00 0.00 H ATOM 869 HD3 LYS A 69 -5.607 -13.917 7.389 1.00 0.00 H ATOM 870 HE2 LYS A 69 -4.403 -16.309 8.800 1.00 0.00 H ATOM 871 HE3 LYS A 69 -3.549 -14.809 8.367 1.00 0.00 H ATOM 872 HZ1 LYS A 69 -4.929 -16.636 6.459 1.00 0.00 H ATOM 873 HZ2 LYS A 69 -4.114 -15.204 6.047 1.00 0.00 H ATOM 874 HZ3 LYS A 69 -3.248 -16.522 6.680 1.00 0.00 H ATOM 875 H LYS A 69 -6.746 -11.499 8.514 1.00 0.00 H ATOM 876 N SER A 70 -9.964 -11.978 8.683 1.00 25.76 N ATOM 877 CA SER A 70 -11.373 -11.794 8.914 1.00 25.36 C ATOM 878 C SER A 70 -12.130 -10.901 7.936 1.00 24.27 C ATOM 879 O SER A 70 -13.315 -11.104 7.718 1.00 25.16 O ATOM 880 CB SER A 70 -11.582 -11.273 10.339 1.00 26.59 C ATOM 881 OG SER A 70 -11.079 -9.951 10.457 1.00 26.89 O ATOM 882 HA SER A 70 -11.802 -12.783 8.754 1.00 0.00 H ATOM 883 HB2 SER A 70 -11.058 -11.922 11.040 1.00 0.00 H ATOM 884 HB3 SER A 70 -12.647 -11.275 10.571 1.00 0.00 H ATOM 885 HG SER A 70 -11.220 -9.627 11.382 1.00 0.00 H ATOM 886 H SER A 70 -9.312 -11.184 8.845 1.00 0.00 H ATOM 887 N ASP A 71 -11.451 -9.933 7.317 1.00 21.24 N ATOM 888 CA ASP A 71 -12.113 -8.993 6.432 1.00 19.89 C ATOM 889 C ASP A 71 -12.471 -9.674 5.105 1.00 20.04 C ATOM 890 O ASP A 71 -11.608 -10.183 4.424 1.00 21.65 O ATOM 891 CB ASP A 71 -11.194 -7.792 6.239 1.00 19.36 C ATOM 892 CG ASP A 71 -11.863 -6.607 5.620 1.00 18.19 C ATOM 893 OD1 ASP A 71 -13.065 -6.645 5.286 1.00 18.59 O ATOM 894 OD2 ASP A 71 -11.217 -5.553 5.406 1.00 18.62 O ATOM 895 HA ASP A 71 -13.051 -8.647 6.866 1.00 0.00 H ATOM 896 HB2 ASP A 71 -10.806 -7.497 7.214 1.00 0.00 H ATOM 897 HB3 ASP A 71 -10.367 -8.093 5.597 1.00 0.00 H ATOM 898 H ASP A 71 -10.426 -9.851 7.472 1.00 0.00 H ATOM 899 N ARG A 72 -13.749 -9.672 4.764 1.00 20.01 N ATOM 900 CA ARG A 72 -14.206 -10.288 3.535 1.00 20.48 C ATOM 901 C ARG A 72 -14.177 -9.315 2.367 1.00 20.72 C ATOM 902 O ARG A 72 -14.557 -8.164 2.501 1.00 20.95 O ATOM 903 CB ARG A 72 -15.645 -10.766 3.706 1.00 21.51 C ATOM 904 CG ARG A 72 -15.781 -11.796 4.791 1.00 23.77 C ATOM 905 CD ARG A 72 -17.157 -12.413 4.838 1.00 27.55 C ATOM 906 NE ARG A 72 -17.394 -13.193 6.054 1.00 29.78 N ATOM 907 CZ ARG A 72 -18.440 -13.974 6.241 1.00 31.73 C ATOM 908 NH1 ARG A 72 -19.331 -14.106 5.275 1.00 30.99 N ATOM 909 NH2 ARG A 72 -18.584 -14.630 7.390 1.00 32.49 N ATOM 910 HA ARG A 72 -13.533 -11.119 3.323 1.00 0.00 H ATOM 911 HB2 ARG A 72 -16.271 -9.910 3.955 1.00 0.00 H ATOM 912 HB3 ARG A 72 -15.984 -11.201 2.766 1.00 0.00 H ATOM 913 HG2 ARG A 72 -15.050 -12.586 4.616 1.00 0.00 H ATOM 914 HG3 ARG A 72 -15.578 -11.321 5.751 1.00 0.00 H ATOM 915 HD2 ARG A 72 -17.273 -13.070 3.976 1.00 0.00 H ATOM 916 HD3 ARG A 72 -17.898 -11.615 4.787 1.00 0.00 H ATOM 917 HE ARG A 72 -16.693 -13.127 6.819 1.00 0.00 H ATOM 918 HH12 ARG A 72 -20.160 -14.719 5.412 1.00 0.00 H ATOM 919 HH11 ARG A 72 -19.204 -13.597 4.377 1.00 0.00 H ATOM 920 HH22 ARG A 72 -19.409 -15.246 7.537 1.00 0.00 H ATOM 921 HH21 ARG A 72 -17.872 -14.527 8.141 1.00 0.00 H ATOM 922 H ARG A 72 -14.442 -9.218 5.393 1.00 0.00 H ATOM 923 N TYR A 73 -13.766 -9.797 1.208 1.00 21.43 N ATOM 924 CA TYR A 73 -13.763 -9.001 -0.009 1.00 21.32 C ATOM 925 C TYR A 73 -14.645 -9.718 -1.011 1.00 22.50 C ATOM 926 O TYR A 73 -15.026 -10.866 -0.800 1.00 23.43 O ATOM 927 CB TYR A 73 -12.312 -8.830 -0.572 1.00 20.55 C ATOM 928 CG TYR A 73 -11.556 -10.143 -0.670 1.00 19.82 C ATOM 929 CD1 TYR A 73 -11.781 -11.014 -1.723 1.00 19.88 C ATOM 930 CD2 TYR A 73 -10.627 -10.519 0.287 1.00 17.83 C ATOM 931 CE1 TYR A 73 -11.121 -12.211 -1.803 1.00 20.53 C ATOM 932 CE2 TYR A 73 -9.954 -11.730 0.204 1.00 18.04 C ATOM 933 CZ TYR A 73 -10.213 -12.566 -0.846 1.00 19.94 C ATOM 934 OH TYR A 73 -9.588 -13.784 -0.944 1.00 19.71 O ATOM 935 HA TYR A 73 -14.140 -7.998 0.193 1.00 0.00 H ATOM 936 HB3 TYR A 73 -11.760 -8.159 0.087 1.00 0.00 H ATOM 937 HB2 TYR A 73 -12.375 -8.390 -1.567 1.00 0.00 H ATOM 938 HD2 TYR A 73 -10.421 -9.850 1.122 1.00 0.00 H ATOM 939 HE2 TYR A 73 -9.228 -12.011 0.967 1.00 0.00 H ATOM 940 HE1 TYR A 73 -11.321 -12.885 -2.636 1.00 0.00 H ATOM 941 HD1 TYR A 73 -12.495 -10.742 -2.501 1.00 0.00 H ATOM 942 HH TYR A 73 -8.608 -13.648 -0.990 1.00 0.00 H ATOM 943 H TYR A 73 -13.433 -10.781 1.164 1.00 0.00 H ATOM 944 N LYS A 74 -14.958 -9.024 -2.099 1.00 23.37 N ATOM 945 CA LYS A 74 -15.695 -9.642 -3.198 1.00 24.44 C ATOM 946 C LYS A 74 -14.851 -9.703 -4.449 1.00 23.38 C ATOM 947 O LYS A 74 -14.095 -8.773 -4.758 1.00 22.94 O ATOM 948 CB LYS A 74 -16.984 -8.890 -3.512 1.00 26.21 C ATOM 949 CG LYS A 74 -17.985 -8.828 -2.355 1.00 29.52 C ATOM 950 CD LYS A 74 -18.456 -10.203 -1.899 1.00 33.51 C ATOM 951 CE LYS A 74 -19.565 -10.068 -0.860 1.00 35.14 C ATOM 952 NZ LYS A 74 -19.117 -9.281 0.332 1.00 36.41 N ATOM 953 HA LYS A 74 -15.947 -10.652 -2.873 1.00 0.00 H ATOM 954 HB2 LYS A 74 -16.723 -7.869 -3.791 1.00 0.00 H ATOM 955 HB3 LYS A 74 -17.469 -9.383 -4.355 1.00 0.00 H ATOM 956 HG2 LYS A 74 -17.511 -8.326 -1.512 1.00 0.00 H ATOM 957 HG3 LYS A 74 -18.853 -8.253 -2.677 1.00 0.00 H ATOM 958 HD2 LYS A 74 -18.834 -10.757 -2.758 1.00 0.00 H ATOM 959 HD3 LYS A 74 -17.617 -10.743 -1.461 1.00 0.00 H ATOM 960 HE2 LYS A 74 -19.866 -11.063 -0.533 1.00 0.00 H ATOM 961 HE3 LYS A 74 -20.417 -9.564 -1.316 1.00 0.00 H ATOM 962 HZ1 LYS A 74 -18.308 -9.759 0.777 1.00 0.00 H ATOM 963 HZ2 LYS A 74 -18.834 -8.327 0.030 1.00 0.00 H ATOM 964 HZ3 LYS A 74 -19.899 -9.212 1.014 1.00 0.00 H ATOM 965 H LYS A 74 -14.674 -8.026 -2.170 1.00 0.00 H ATOM 966 N TYR A 75 -15.000 -10.819 -5.143 1.00 23.08 N ATOM 967 CA TYR A 75 -14.357 -11.031 -6.423 1.00 23.40 C ATOM 968 C TYR A 75 -15.269 -11.819 -7.343 1.00 24.40 C ATOM 969 O TYR A 75 -16.196 -12.513 -6.889 1.00 25.22 O ATOM 970 CB TYR A 75 -13.023 -11.736 -6.240 1.00 22.99 C ATOM 971 CG TYR A 75 -13.073 -13.197 -5.903 1.00 21.37 C ATOM 972 CD1 TYR A 75 -13.194 -13.631 -4.592 1.00 21.04 C ATOM 973 CD2 TYR A 75 -12.946 -14.155 -6.889 1.00 21.46 C ATOM 974 CE1 TYR A 75 -13.182 -14.953 -4.283 1.00 21.11 C ATOM 975 CE2 TYR A 75 -12.951 -15.482 -6.584 1.00 21.91 C ATOM 976 CZ TYR A 75 -13.062 -15.882 -5.281 1.00 22.04 C ATOM 977 OH TYR A 75 -13.070 -17.219 -4.954 1.00 23.73 O ATOM 978 HA TYR A 75 -14.163 -10.062 -6.883 1.00 0.00 H ATOM 979 HB3 TYR A 75 -12.489 -11.229 -5.436 1.00 0.00 H ATOM 980 HB2 TYR A 75 -12.463 -11.630 -7.169 1.00 0.00 H ATOM 981 HD2 TYR A 75 -12.840 -13.844 -7.928 1.00 0.00 H ATOM 982 HE2 TYR A 75 -12.867 -16.225 -7.377 1.00 0.00 H ATOM 983 HE1 TYR A 75 -13.268 -15.273 -3.245 1.00 0.00 H ATOM 984 HD1 TYR A 75 -13.301 -12.897 -3.794 1.00 0.00 H ATOM 985 HH TYR A 75 -13.157 -17.317 -3.973 1.00 0.00 H ATOM 986 H TYR A 75 -15.602 -11.573 -4.755 1.00 0.00 H ATOM 987 N LYS A 76 -15.007 -11.699 -8.638 1.00 24.82 N ATOM 988 CA LYS A 76 -15.770 -12.433 -9.631 1.00 25.67 C ATOM 989 C LYS A 76 -14.811 -13.129 -10.565 1.00 26.18 C ATOM 990 O LYS A 76 -13.599 -12.905 -10.517 1.00 25.29 O ATOM 991 CB LYS A 76 -16.648 -11.500 -10.456 1.00 26.02 C ATOM 992 CG LYS A 76 -15.872 -10.465 -11.210 1.00 27.35 C ATOM 993 CD LYS A 76 -16.753 -9.502 -11.962 1.00 29.82 C ATOM 994 CE LYS A 76 -15.879 -8.422 -12.546 1.00 31.46 C ATOM 995 NZ LYS A 76 -16.566 -7.374 -13.375 1.00 33.52 N ATOM 996 HA LYS A 76 -16.408 -13.149 -9.112 1.00 0.00 H ATOM 997 HB2 LYS A 76 -17.212 -12.099 -11.171 1.00 0.00 H ATOM 998 HB3 LYS A 76 -17.340 -10.992 -9.784 1.00 0.00 H ATOM 999 HG2 LYS A 76 -15.265 -9.901 -10.502 1.00 0.00 H ATOM 1000 HG3 LYS A 76 -15.220 -10.970 -11.923 1.00 0.00 H ATOM 1001 HD2 LYS A 76 -17.276 -10.027 -12.762 1.00 0.00 H ATOM 1002 HD3 LYS A 76 -17.482 -9.060 -11.282 1.00 0.00 H ATOM 1003 HE2 LYS A 76 -15.132 -8.905 -13.176 1.00 0.00 H ATOM 1004 HE3 LYS A 76 -15.382 -7.916 -11.719 1.00 0.00 H ATOM 1005 HZ1 LYS A 76 -17.036 -7.827 -14.185 1.00 0.00 H ATOM 1006 HZ2 LYS A 76 -17.274 -6.882 -12.793 1.00 0.00 H ATOM 1007 HZ3 LYS A 76 -15.862 -6.690 -13.719 1.00 0.00 H ATOM 1008 H LYS A 76 -14.241 -11.067 -8.947 1.00 0.00 H ATOM 1009 N ARG A 77 -15.382 -13.978 -11.413 1.00 27.75 N ATOM 1010 CA ARG A 77 -14.652 -14.668 -12.444 1.00 29.15 C ATOM 1011 C ARG A 77 -15.095 -14.103 -13.778 1.00 30.48 C ATOM 1012 O ARG A 77 -16.294 -13.962 -14.040 1.00 31.33 O ATOM 1013 CB ARG A 77 -14.936 -16.171 -12.418 1.00 29.24 C ATOM 1014 CG ARG A 77 -14.450 -16.917 -11.198 1.00 29.41 C ATOM 1015 CD ARG A 77 -12.947 -17.241 -11.238 1.00 28.84 C ATOM 1016 NE ARG A 77 -12.423 -17.891 -10.038 1.00 27.53 N ATOM 1017 CZ ARG A 77 -11.193 -18.378 -9.945 1.00 23.47 C ATOM 1018 NH1 ARG A 77 -10.384 -18.306 -10.996 1.00 23.94 N ATOM 1019 NH2 ARG A 77 -10.753 -18.943 -8.834 1.00 24.61 N ATOM 1020 HA ARG A 77 -13.583 -14.527 -12.284 1.00 0.00 H ATOM 1021 HB2 ARG A 77 -16.015 -16.308 -12.484 1.00 0.00 H ATOM 1022 HB3 ARG A 77 -14.460 -16.615 -13.292 1.00 0.00 H ATOM 1023 HG2 ARG A 77 -14.649 -16.306 -10.317 1.00 0.00 H ATOM 1024 HG3 ARG A 77 -15.003 -17.853 -11.122 1.00 0.00 H ATOM 1025 HD2 ARG A 77 -12.403 -16.307 -11.382 1.00 0.00 H ATOM 1026 HD3 ARG A 77 -12.765 -17.900 -12.087 1.00 0.00 H ATOM 1027 HE ARG A 77 -13.049 -17.976 -9.212 1.00 0.00 H ATOM 1028 HH12 ARG A 77 -9.417 -18.685 -10.935 1.00 0.00 H ATOM 1029 HH11 ARG A 77 -10.717 -17.871 -11.880 1.00 0.00 H ATOM 1030 HH22 ARG A 77 -9.783 -19.317 -8.789 1.00 0.00 H ATOM 1031 HH21 ARG A 77 -11.376 -19.014 -8.005 1.00 0.00 H ATOM 1032 H ARG A 77 -16.404 -14.152 -11.328 1.00 0.00 H ATOM 1033 N VAL A 78 -14.124 -13.748 -14.599 1.00 31.86 N ATOM 1034 CA VAL A 78 -14.383 -13.260 -15.940 1.00 33.07 C ATOM 1035 C VAL A 78 -13.718 -14.367 -16.706 1.00 34.25 C ATOM 1036 O VAL A 78 -12.477 -14.447 -16.820 1.00 33.70 O ATOM 1037 CB VAL A 78 -13.868 -11.843 -16.137 1.00 33.16 C ATOM 1038 CG1 VAL A 78 -14.037 -11.393 -17.577 1.00 33.23 C ATOM 1039 CG2 VAL A 78 -14.661 -10.928 -15.208 1.00 33.36 C ATOM 1040 HA VAL A 78 -15.418 -13.107 -16.247 1.00 0.00 H ATOM 1041 HB VAL A 78 -12.803 -11.804 -15.906 1.00 0.00 H ATOM 1042 HG11 VAL A 78 -13.479 -12.061 -18.233 1.00 0.00 H ATOM 1043 HG12 VAL A 78 -15.094 -11.420 -17.843 1.00 0.00 H ATOM 1044 HG13 VAL A 78 -13.659 -10.376 -17.685 1.00 0.00 H ATOM 1045 HG21 VAL A 78 -15.720 -10.986 -15.460 1.00 0.00 H ATOM 1046 HG22 VAL A 78 -14.514 -11.245 -14.176 1.00 0.00 H ATOM 1047 HG23 VAL A 78 -14.313 -9.902 -15.327 1.00 0.00 H ATOM 1048 H VAL A 78 -13.139 -13.821 -14.273 1.00 0.00 H ATOM 1049 N ASN A 79 -14.615 -15.286 -17.069 1.00 36.33 N ATOM 1050 CA ASN A 79 -14.300 -16.583 -17.622 1.00 37.22 C ATOM 1051 C ASN A 79 -13.304 -17.048 -16.530 1.00 36.52 C ATOM 1052 O ASN A 79 -13.554 -16.667 -15.404 1.00 38.91 O ATOM 1053 CB ASN A 79 -13.987 -16.488 -19.101 1.00 38.16 C ATOM 1054 CG ASN A 79 -15.239 -16.053 -19.888 1.00 40.14 C ATOM 1055 OD1 ASN A 79 -15.235 -15.053 -20.598 1.00 43.32 O ATOM 1056 ND2 ASN A 79 -16.347 -16.774 -19.672 1.00 42.13 N ATOM 1057 HA ASN A 79 -15.048 -17.365 -17.754 1.00 0.00 H ATOM 1058 HB2 ASN A 79 -13.194 -15.756 -19.254 1.00 0.00 H ATOM 1059 HB3 ASN A 79 -13.656 -17.462 -19.462 1.00 0.00 H ATOM 1060 HD22 ASN A 79 -16.309 -17.616 -19.063 1.00 0.00 H ATOM 1061 HD21 ASN A 79 -17.245 -16.492 -20.113 1.00 0.00 H ATOM 1062 H ASN A 79 -15.620 -15.050 -16.944 1.00 0.00 H ATOM 1063 N GLY A 80 -12.260 -17.834 -16.697 1.00 34.69 N ATOM 1064 CA GLY A 80 -11.488 -18.147 -15.484 1.00 32.65 C ATOM 1065 C GLY A 80 -10.734 -17.070 -14.681 1.00 30.53 C ATOM 1066 O GLY A 80 -10.255 -17.348 -13.582 1.00 30.29 O ATOM 1067 HA3 GLY A 80 -10.740 -18.881 -15.782 1.00 0.00 H ATOM 1068 HA2 GLY A 80 -12.190 -18.607 -14.789 1.00 0.00 H ATOM 1069 H GLY A 80 -11.997 -18.211 -17.630 1.00 0.00 H ATOM 1070 N ALA A 81 -10.623 -15.848 -15.179 1.00 28.39 N ATOM 1071 CA ALA A 81 -9.804 -14.838 -14.485 1.00 26.88 C ATOM 1072 C ALA A 81 -10.455 -14.312 -13.217 1.00 25.81 C ATOM 1073 O ALA A 81 -11.653 -14.160 -13.165 1.00 25.81 O ATOM 1074 CB ALA A 81 -9.493 -13.697 -15.393 1.00 27.22 C ATOM 1075 HA ALA A 81 -8.883 -15.344 -14.194 1.00 0.00 H ATOM 1076 HB1 ALA A 81 -8.942 -14.063 -16.259 1.00 0.00 H ATOM 1077 HB2 ALA A 81 -10.422 -13.232 -15.722 1.00 0.00 H ATOM 1078 HB3 ALA A 81 -8.888 -12.964 -14.859 1.00 0.00 H ATOM 1079 H ALA A 81 -11.115 -15.600 -16.061 1.00 0.00 H ATOM 1080 N ILE A 82 -9.655 -14.116 -12.172 1.00 23.98 N ATOM 1081 CA ILE A 82 -10.120 -13.532 -10.911 1.00 22.45 C ATOM 1082 C ILE A 82 -10.076 -12.014 -11.067 1.00 22.44 C ATOM 1083 O ILE A 82 -9.067 -11.469 -11.473 1.00 21.79 O ATOM 1084 CB ILE A 82 -9.204 -13.983 -9.743 1.00 21.20 C ATOM 1085 CG1 ILE A 82 -9.249 -15.520 -9.592 1.00 20.76 C ATOM 1086 CG2 ILE A 82 -9.569 -13.243 -8.475 1.00 21.73 C ATOM 1087 CD1 ILE A 82 -8.189 -16.079 -8.691 1.00 21.45 C ATOM 1088 HA ILE A 82 -11.134 -13.862 -10.684 1.00 0.00 H ATOM 1089 HB ILE A 82 -8.168 -13.724 -9.963 1.00 0.00 H ATOM 1090 HG12 ILE A 82 -10.223 -15.796 -9.187 1.00 0.00 H ATOM 1091 HG13 ILE A 82 -9.128 -15.965 -10.580 1.00 0.00 H ATOM 1092 HD11 ILE A 82 -7.206 -15.824 -9.087 1.00 0.00 H ATOM 1093 HD12 ILE A 82 -8.301 -15.655 -7.693 1.00 0.00 H ATOM 1094 HD13 ILE A 82 -8.292 -17.163 -8.640 1.00 0.00 H ATOM 1095 HG21 ILE A 82 -9.445 -12.172 -8.633 1.00 0.00 H ATOM 1096 HG22 ILE A 82 -10.607 -13.456 -8.217 1.00 0.00 H ATOM 1097 HG23 ILE A 82 -8.918 -13.570 -7.665 1.00 0.00 H ATOM 1098 H ILE A 82 -8.655 -14.390 -12.254 1.00 0.00 H ATOM 1099 N VAL A 83 -11.200 -11.362 -10.803 1.00 22.03 N ATOM 1100 CA VAL A 83 -11.281 -9.912 -10.799 1.00 22.13 C ATOM 1101 C VAL A 83 -11.761 -9.458 -9.416 1.00 21.43 C ATOM 1102 O VAL A 83 -12.905 -9.710 -9.026 1.00 21.05 O ATOM 1103 CB VAL A 83 -12.237 -9.399 -11.882 1.00 22.90 C ATOM 1104 CG1 VAL A 83 -12.277 -7.902 -11.860 1.00 24.59 C ATOM 1105 CG2 VAL A 83 -11.811 -9.909 -13.275 1.00 23.80 C ATOM 1106 HA VAL A 83 -10.295 -9.501 -11.015 1.00 0.00 H ATOM 1107 HB VAL A 83 -13.236 -9.782 -11.674 1.00 0.00 H ATOM 1108 HG11 VAL A 83 -12.624 -7.563 -10.884 1.00 0.00 H ATOM 1109 HG12 VAL A 83 -11.277 -7.510 -12.048 1.00 0.00 H ATOM 1110 HG13 VAL A 83 -12.959 -7.547 -12.633 1.00 0.00 H ATOM 1111 HG21 VAL A 83 -10.804 -9.555 -13.498 1.00 0.00 H ATOM 1112 HG22 VAL A 83 -11.824 -10.999 -13.281 1.00 0.00 H ATOM 1113 HG23 VAL A 83 -12.505 -9.532 -14.026 1.00 0.00 H ATOM 1114 H VAL A 83 -12.058 -11.911 -10.590 1.00 0.00 H ATOM 1115 N CYS A 84 -10.861 -8.848 -8.654 1.00 21.07 N ATOM 1116 CA CYS A 84 -11.241 -8.265 -7.364 1.00 21.79 C ATOM 1117 C CYS A 84 -12.186 -7.083 -7.613 1.00 23.14 C ATOM 1118 O CYS A 84 -11.881 -6.178 -8.391 1.00 24.75 O ATOM 1119 CB CYS A 84 -9.988 -7.815 -6.633 1.00 21.46 C ATOM 1120 SG CYS A 84 -8.899 -9.157 -6.173 1.00 19.75 S ATOM 1121 HA CYS A 84 -11.756 -9.001 -6.747 1.00 0.00 H ATOM 1122 HB2 CYS A 84 -10.289 -7.290 -5.726 1.00 0.00 H ATOM 1123 HB3 CYS A 84 -9.438 -7.133 -7.281 1.00 0.00 H ATOM 1124 H CYS A 84 -9.874 -8.783 -8.976 1.00 0.00 H ATOM 1125 N GLU A 85 -13.337 -7.107 -6.946 1.00 23.27 N ATOM 1126 CA GLU A 85 -14.350 -6.066 -7.079 1.00 24.66 C ATOM 1127 C GLU A 85 -14.106 -4.982 -6.030 1.00 25.03 C ATOM 1128 O GLU A 85 -13.500 -5.236 -4.988 1.00 25.99 O ATOM 1129 CB GLU A 85 -15.734 -6.697 -6.976 1.00 25.00 C ATOM 1130 CG GLU A 85 -16.021 -7.543 -8.210 1.00 26.15 C ATOM 1131 CD GLU A 85 -17.257 -8.389 -8.104 1.00 27.26 C ATOM 1132 OE1 GLU A 85 -17.264 -9.338 -7.295 1.00 25.64 O ATOM 1133 OE2 GLU A 85 -18.198 -8.122 -8.876 1.00 29.69 O ATOM 1134 HA GLU A 85 -14.288 -5.583 -8.054 1.00 0.00 H ATOM 1135 HB2 GLU A 85 -15.777 -7.328 -6.089 1.00 0.00 H ATOM 1136 HB3 GLU A 85 -16.484 -5.910 -6.897 1.00 0.00 H ATOM 1137 HG2 GLU A 85 -16.136 -6.875 -9.063 1.00 0.00 H ATOM 1138 HG3 GLU A 85 -15.169 -8.202 -8.378 1.00 0.00 H ATOM 1139 H GLU A 85 -13.522 -7.902 -6.302 1.00 0.00 H ATOM 1140 N LYS A 86 -14.601 -3.781 -6.289 1.00 25.41 N ATOM 1141 CA LYS A 86 -14.305 -2.660 -5.403 1.00 26.64 C ATOM 1142 C LYS A 86 -15.026 -2.716 -4.072 1.00 26.59 C ATOM 1143 O LYS A 86 -16.207 -3.006 -4.001 1.00 27.44 O ATOM 1144 CB LYS A 86 -14.553 -1.327 -6.096 1.00 28.06 C ATOM 1145 CG LYS A 86 -13.942 -0.161 -5.311 1.00 31.78 C ATOM 1146 CD LYS A 86 -13.948 1.149 -6.090 1.00 35.61 C ATOM 1147 CE LYS A 86 -13.408 2.326 -5.270 1.00 37.53 C ATOM 1148 NZ LYS A 86 -12.853 3.398 -6.157 1.00 39.14 N ATOM 1149 HA LYS A 86 -13.244 -2.749 -5.171 1.00 0.00 H ATOM 1150 HB2 LYS A 86 -14.107 -1.357 -7.090 1.00 0.00 H ATOM 1151 HB3 LYS A 86 -15.628 -1.169 -6.185 1.00 0.00 H ATOM 1152 HG2 LYS A 86 -14.513 -0.022 -4.393 1.00 0.00 H ATOM 1153 HG3 LYS A 86 -12.911 -0.412 -5.061 1.00 0.00 H ATOM 1154 HD2 LYS A 86 -13.329 1.029 -6.979 1.00 0.00 H ATOM 1155 HD3 LYS A 86 -14.972 1.373 -6.389 1.00 0.00 H ATOM 1156 HE2 LYS A 86 -12.618 1.967 -4.610 1.00 0.00 H ATOM 1157 HE3 LYS A 86 -14.218 2.744 -4.672 1.00 0.00 H ATOM 1158 HZ1 LYS A 86 -12.076 3.007 -6.727 1.00 0.00 H ATOM 1159 HZ2 LYS A 86 -13.603 3.749 -6.786 1.00 0.00 H ATOM 1160 HZ3 LYS A 86 -12.496 4.180 -5.572 1.00 0.00 H ATOM 1161 H LYS A 86 -15.202 -3.637 -7.126 1.00 0.00 H ATOM 1162 N GLY A 88 -14.231 -2.663 -2.993 1.00 21.41 N ATOM 1163 CA GLY A 88 -14.656 -2.624 -1.601 1.00 21.46 C ATOM 1164 C GLY A 88 -13.885 -1.503 -0.926 1.00 20.73 C ATOM 1165 O GLY A 88 -13.577 -0.462 -1.518 1.00 21.56 O ATOM 1166 HA3 GLY A 88 -14.434 -3.575 -1.116 1.00 0.00 H ATOM 1167 HA2 GLY A 88 -15.727 -2.429 -1.543 1.00 0.00 H ATOM 1168 H GLY A 88 -13.206 -2.648 -3.169 1.00 0.00 H ATOM 1169 N THR A 89 -13.575 -1.705 0.339 1.00 19.67 N ATOM 1170 CA THR A 89 -12.663 -0.784 1.007 1.00 19.12 C ATOM 1171 C THR A 89 -11.231 -0.951 0.489 1.00 18.91 C ATOM 1172 O THR A 89 -10.888 -1.965 -0.152 1.00 18.26 O ATOM 1173 CB THR A 89 -12.632 -1.052 2.511 1.00 18.92 C ATOM 1174 OG1 THR A 89 -12.029 -2.325 2.772 1.00 18.65 O ATOM 1175 CG2 THR A 89 -14.016 -1.135 3.113 1.00 18.44 C ATOM 1176 HA THR A 89 -13.025 0.223 0.800 1.00 0.00 H ATOM 1177 HB THR A 89 -12.076 -0.222 2.947 1.00 0.00 H ATOM 1178 HG1 THR A 89 -12.014 -2.488 3.748 1.00 0.00 H ATOM 1179 HG23 THR A 89 -14.538 -0.192 2.951 1.00 0.00 H ATOM 1180 HG21 THR A 89 -14.569 -1.945 2.638 1.00 0.00 H ATOM 1181 HG22 THR A 89 -13.935 -1.327 4.183 1.00 0.00 H ATOM 1182 H THR A 89 -13.977 -2.513 0.856 1.00 0.00 H ATOM 1183 N SER A 90 -10.368 0.002 0.809 1.00 18.60 N ATOM 1184 CA SER A 90 -8.968 -0.076 0.380 1.00 18.84 C ATOM 1185 C SER A 90 -8.340 -1.400 0.890 1.00 18.30 C ATOM 1186 O SER A 90 -7.644 -2.133 0.140 1.00 18.34 O ATOM 1187 CB SER A 90 -8.117 1.120 0.840 1.00 20.16 C ATOM 1188 OG SER A 90 -8.623 2.332 0.328 1.00 24.38 O ATOM 1189 HA SER A 90 -8.972 -0.049 -0.710 1.00 0.00 H ATOM 1190 HB2 SER A 90 -7.094 0.985 0.489 1.00 0.00 H ATOM 1191 HB3 SER A 90 -8.123 1.163 1.929 1.00 0.00 H ATOM 1192 HG SER A 90 -8.057 3.082 0.639 1.00 0.00 H ATOM 1193 H SER A 90 -10.688 0.816 1.372 1.00 0.00 H ATOM 1194 N CYS A 91 -8.550 -1.705 2.164 1.00 17.43 N ATOM 1195 CA CYS A 91 -8.013 -2.913 2.730 1.00 17.67 C ATOM 1196 C CYS A 91 -8.526 -4.126 1.998 1.00 17.65 C ATOM 1197 O CYS A 91 -7.754 -5.036 1.679 1.00 17.63 O ATOM 1198 CB CYS A 91 -8.360 -3.039 4.208 1.00 18.12 C ATOM 1199 SG CYS A 91 -7.235 -2.195 5.342 1.00 18.69 S ATOM 1200 HA CYS A 91 -6.929 -2.858 2.626 1.00 0.00 H ATOM 1201 HB2 CYS A 91 -8.364 -4.099 4.464 1.00 0.00 H ATOM 1202 HB3 CYS A 91 -9.358 -2.627 4.356 1.00 0.00 H ATOM 1203 H CYS A 91 -9.110 -1.063 2.761 1.00 0.00 H ATOM 1204 N GLU A 92 -9.817 -4.161 1.703 1.00 17.03 N ATOM 1205 CA GLU A 92 -10.394 -5.323 1.032 1.00 17.33 C ATOM 1206 C GLU A 92 -9.802 -5.498 -0.352 1.00 17.17 C ATOM 1207 O GLU A 92 -9.488 -6.617 -0.762 1.00 17.71 O ATOM 1208 CB GLU A 92 -11.920 -5.205 0.991 1.00 17.26 C ATOM 1209 CG GLU A 92 -12.526 -5.474 2.372 1.00 18.13 C ATOM 1210 CD GLU A 92 -13.901 -4.885 2.594 1.00 18.77 C ATOM 1211 OE1 GLU A 92 -14.487 -4.278 1.676 1.00 20.39 O ATOM 1212 OE2 GLU A 92 -14.417 -5.044 3.725 1.00 19.38 O ATOM 1213 HA GLU A 92 -10.144 -6.219 1.601 1.00 0.00 H ATOM 1214 HB2 GLU A 92 -12.192 -4.199 0.671 1.00 0.00 H ATOM 1215 HB3 GLU A 92 -12.315 -5.930 0.280 1.00 0.00 H ATOM 1216 HG2 GLU A 92 -12.595 -6.553 2.507 1.00 0.00 H ATOM 1217 HG3 GLU A 92 -11.855 -5.058 3.123 1.00 0.00 H ATOM 1218 H GLU A 92 -10.425 -3.354 1.951 1.00 0.00 H ATOM 1219 N ASN A 93 -9.665 -4.421 -1.093 1.00 17.10 N ATOM 1220 CA ASN A 93 -9.070 -4.482 -2.428 1.00 17.80 C ATOM 1221 C ASN A 93 -7.668 -5.044 -2.380 1.00 16.94 C ATOM 1222 O ASN A 93 -7.305 -5.907 -3.191 1.00 17.34 O ATOM 1223 CB ASN A 93 -9.017 -3.094 -3.091 1.00 19.01 C ATOM 1224 CG ASN A 93 -10.377 -2.440 -3.215 1.00 22.38 C ATOM 1225 OD1 ASN A 93 -11.409 -3.095 -3.207 1.00 24.54 O ATOM 1226 ND2 ASN A 93 -10.373 -1.118 -3.334 1.00 26.47 N ATOM 1227 HA ASN A 93 -9.709 -5.139 -3.018 1.00 0.00 H ATOM 1228 HB2 ASN A 93 -8.375 -2.448 -2.492 1.00 0.00 H ATOM 1229 HB3 ASN A 93 -8.592 -3.202 -4.089 1.00 0.00 H ATOM 1230 HD22 ASN A 93 -9.472 -0.599 -3.336 1.00 0.00 H ATOM 1231 HD21 ASN A 93 -11.271 -0.601 -3.425 1.00 0.00 H ATOM 1232 H ASN A 93 -9.987 -3.504 -0.722 1.00 0.00 H ATOM 1233 N ARG A 94 -6.885 -4.590 -1.422 1.00 17.24 N ATOM 1234 CA ARG A 94 -5.495 -4.991 -1.330 1.00 17.30 C ATOM 1235 C ARG A 94 -5.363 -6.430 -0.826 1.00 16.69 C ATOM 1236 O ARG A 94 -4.529 -7.197 -1.316 1.00 17.75 O ATOM 1237 CB ARG A 94 -4.730 -4.008 -0.452 1.00 18.02 C ATOM 1238 CG ARG A 94 -4.745 -2.586 -0.996 1.00 19.93 C ATOM 1239 CD ARG A 94 -4.412 -1.541 0.055 1.00 23.56 C ATOM 1240 NE ARG A 94 -2.986 -1.293 0.176 1.00 25.29 N ATOM 1241 CZ ARG A 94 -2.413 -0.632 1.176 1.00 28.21 C ATOM 1242 NH1 ARG A 94 -3.129 -0.166 2.208 1.00 29.35 N ATOM 1243 NH2 ARG A 94 -1.099 -0.451 1.144 1.00 28.27 N ATOM 1244 HA ARG A 94 -5.056 -4.969 -2.327 1.00 0.00 H ATOM 1245 HB2 ARG A 94 -5.181 -4.005 0.540 1.00 0.00 H ATOM 1246 HB3 ARG A 94 -3.695 -4.341 -0.378 1.00 0.00 H ATOM 1247 HG2 ARG A 94 -4.013 -2.515 -1.800 1.00 0.00 H ATOM 1248 HG3 ARG A 94 -5.739 -2.376 -1.391 1.00 0.00 H ATOM 1249 HD2 ARG A 94 -4.788 -1.885 1.019 1.00 0.00 H ATOM 1250 HD3 ARG A 94 -4.906 -0.607 -0.214 1.00 0.00 H ATOM 1251 HE ARG A 94 -2.368 -1.660 -0.576 1.00 0.00 H ATOM 1252 HH12 ARG A 94 -2.657 0.348 2.979 1.00 0.00 H ATOM 1253 HH11 ARG A 94 -4.157 -0.319 2.239 1.00 0.00 H ATOM 1254 HH22 ARG A 94 -0.626 0.063 1.914 1.00 0.00 H ATOM 1255 HH21 ARG A 94 -0.542 -0.823 0.348 1.00 0.00 H ATOM 1256 H ARG A 94 -7.272 -3.930 -0.717 1.00 0.00 H ATOM 1257 N ILE A 95 -6.180 -6.800 0.156 1.00 16.76 N ATOM 1258 CA ILE A 95 -6.181 -8.175 0.614 1.00 16.56 C ATOM 1259 C ILE A 95 -6.561 -9.102 -0.577 1.00 16.68 C ATOM 1260 O ILE A 95 -5.921 -10.148 -0.818 1.00 17.09 O ATOM 1261 CB ILE A 95 -7.185 -8.393 1.759 1.00 16.59 C ATOM 1262 CG1 ILE A 95 -6.710 -7.660 3.003 1.00 17.40 C ATOM 1263 CG2 ILE A 95 -7.257 -9.901 2.073 1.00 16.28 C ATOM 1264 CD1 ILE A 95 -7.819 -7.394 4.006 1.00 18.56 C ATOM 1265 HA ILE A 95 -5.185 -8.410 0.989 1.00 0.00 H ATOM 1266 HB ILE A 95 -8.164 -8.016 1.463 1.00 0.00 H ATOM 1267 HG12 ILE A 95 -5.942 -8.263 3.488 1.00 0.00 H ATOM 1268 HG13 ILE A 95 -6.282 -6.705 2.699 1.00 0.00 H ATOM 1269 HD11 ILE A 95 -8.590 -6.782 3.539 1.00 0.00 H ATOM 1270 HD12 ILE A 95 -8.251 -8.342 4.328 1.00 0.00 H ATOM 1271 HD13 ILE A 95 -7.409 -6.868 4.868 1.00 0.00 H ATOM 1272 HG21 ILE A 95 -7.585 -10.441 1.184 1.00 0.00 H ATOM 1273 HG22 ILE A 95 -6.271 -10.256 2.372 1.00 0.00 H ATOM 1274 HG23 ILE A 95 -7.966 -10.069 2.884 1.00 0.00 H ATOM 1275 H ILE A 95 -6.817 -6.104 0.594 1.00 0.00 H ATOM 1276 N CYS A 96 -7.592 -8.730 -1.330 1.00 15.81 N ATOM 1277 CA CYS A 96 -8.002 -9.544 -2.472 1.00 15.95 C ATOM 1278 C CYS A 96 -6.830 -9.716 -3.450 1.00 15.94 C ATOM 1279 O CYS A 96 -6.579 -10.832 -3.930 1.00 16.27 O ATOM 1280 CB CYS A 96 -9.209 -8.946 -3.156 1.00 16.75 C ATOM 1281 SG CYS A 96 -9.858 -9.908 -4.524 1.00 18.53 S ATOM 1282 HA CYS A 96 -8.289 -10.531 -2.111 1.00 0.00 H ATOM 1283 HB2 CYS A 96 -8.931 -7.963 -3.535 1.00 0.00 H ATOM 1284 HB3 CYS A 96 -10.000 -8.837 -2.414 1.00 0.00 H ATOM 1285 H CYS A 96 -8.109 -7.856 -1.105 1.00 0.00 H ATOM 1286 N GLU A 97 -6.122 -8.647 -3.799 1.00 16.49 N ATOM 1287 CA GLU A 97 -5.028 -8.779 -4.752 1.00 16.07 C ATOM 1288 C GLU A 97 -3.930 -9.686 -4.196 1.00 16.15 C ATOM 1289 O GLU A 97 -3.343 -10.467 -4.944 1.00 16.85 O ATOM 1290 CB GLU A 97 -4.479 -7.417 -5.192 1.00 17.07 C ATOM 1291 CG GLU A 97 -5.476 -6.609 -6.003 1.00 18.32 C ATOM 1292 CD GLU A 97 -5.737 -7.139 -7.396 1.00 21.10 C ATOM 1293 OE1 GLU A 97 -4.899 -7.901 -7.920 1.00 22.26 O ATOM 1294 OE2 GLU A 97 -6.806 -6.845 -7.962 1.00 20.77 O ATOM 1295 HA GLU A 97 -5.427 -9.253 -5.649 1.00 0.00 H ATOM 1296 HB2 GLU A 97 -4.211 -6.847 -4.303 1.00 0.00 H ATOM 1297 HB3 GLU A 97 -3.589 -7.581 -5.799 1.00 0.00 H ATOM 1298 HG2 GLU A 97 -6.422 -6.595 -5.462 1.00 0.00 H ATOM 1299 HG3 GLU A 97 -5.096 -5.591 -6.093 1.00 0.00 H ATOM 1300 H GLU A 97 -6.349 -7.717 -3.392 1.00 0.00 H ATOM 1301 N CYS A 98 -3.663 -9.644 -2.909 1.00 15.84 N ATOM 1302 CA CYS A 98 -2.693 -10.563 -2.330 1.00 16.25 C ATOM 1303 C CYS A 98 -3.127 -12.010 -2.487 1.00 16.13 C ATOM 1304 O CYS A 98 -2.316 -12.879 -2.836 1.00 16.32 O ATOM 1305 CB CYS A 98 -2.475 -10.301 -0.846 1.00 16.29 C ATOM 1306 SG CYS A 98 -1.652 -8.707 -0.442 1.00 16.47 S ATOM 1307 HA CYS A 98 -1.764 -10.391 -2.874 1.00 0.00 H ATOM 1308 HB2 CYS A 98 -1.860 -11.108 -0.448 1.00 0.00 H ATOM 1309 HB3 CYS A 98 -3.448 -10.312 -0.355 1.00 0.00 H ATOM 1310 H CYS A 98 -4.147 -8.952 -2.302 1.00 0.00 H ATOM 1311 N ASP A 99 -4.405 -12.268 -2.211 1.00 15.80 N ATOM 1312 CA ASP A 99 -4.923 -13.631 -2.223 1.00 15.69 C ATOM 1313 C ASP A 99 -5.000 -14.161 -3.647 1.00 16.39 C ATOM 1314 O ASP A 99 -4.640 -15.304 -3.916 1.00 16.44 O ATOM 1315 CB ASP A 99 -6.300 -13.659 -1.596 1.00 15.48 C ATOM 1316 CG ASP A 99 -6.284 -13.567 -0.095 1.00 16.29 C ATOM 1317 OD1 ASP A 99 -5.228 -13.455 0.546 1.00 16.75 O ATOM 1318 OD2 ASP A 99 -7.347 -13.660 0.570 1.00 17.73 O ATOM 1319 HA ASP A 99 -4.247 -14.265 -1.650 1.00 0.00 H ATOM 1320 HB2 ASP A 99 -6.873 -12.818 -1.986 1.00 0.00 H ATOM 1321 HB3 ASP A 99 -6.788 -14.592 -1.878 1.00 0.00 H ATOM 1322 H ASP A 99 -5.046 -11.481 -1.982 1.00 0.00 H ATOM 1323 N LYS A 100 -5.474 -13.334 -4.556 1.00 16.43 N ATOM 1324 CA LYS A 100 -5.497 -13.643 -5.988 1.00 16.36 C ATOM 1325 C LYS A 100 -4.111 -14.060 -6.461 1.00 16.70 C ATOM 1326 O LYS A 100 -3.951 -15.091 -7.160 1.00 17.06 O ATOM 1327 CB LYS A 100 -5.971 -12.414 -6.792 1.00 17.11 C ATOM 1328 CG LYS A 100 -5.841 -12.534 -8.305 1.00 18.05 C ATOM 1329 CD LYS A 100 -6.288 -11.278 -9.038 1.00 18.43 C ATOM 1330 CE LYS A 100 -6.054 -11.389 -10.549 1.00 20.65 C ATOM 1331 NZ LYS A 100 -6.472 -10.197 -11.298 1.00 20.94 N ATOM 1332 HA LYS A 100 -6.192 -14.467 -6.152 1.00 0.00 H ATOM 1333 HB2 LYS A 100 -7.021 -12.243 -6.557 1.00 0.00 H ATOM 1334 HB3 LYS A 100 -5.383 -11.554 -6.471 1.00 0.00 H ATOM 1335 HG2 LYS A 100 -4.797 -12.728 -8.551 1.00 0.00 H ATOM 1336 HG3 LYS A 100 -6.453 -13.370 -8.642 1.00 0.00 H ATOM 1337 HD2 LYS A 100 -7.351 -11.122 -8.856 1.00 0.00 H ATOM 1338 HD3 LYS A 100 -5.726 -10.426 -8.655 1.00 0.00 H ATOM 1339 HE2 LYS A 100 -6.615 -12.245 -10.923 1.00 0.00 H ATOM 1340 HE3 LYS A 100 -4.990 -11.550 -10.722 1.00 0.00 H ATOM 1341 HZ1 LYS A 100 -7.489 -10.036 -11.152 1.00 0.00 H ATOM 1342 HZ2 LYS A 100 -5.937 -9.372 -10.960 1.00 0.00 H ATOM 1343 HZ3 LYS A 100 -6.285 -10.342 -12.311 1.00 0.00 H ATOM 1344 H LYS A 100 -5.850 -12.417 -4.242 1.00 0.00 H ATOM 1345 N ALA A 101 -3.100 -13.257 -6.165 1.00 16.23 N ATOM 1346 CA ALA A 101 -1.751 -13.598 -6.580 1.00 16.18 C ATOM 1347 C ALA A 101 -1.317 -14.960 -6.020 1.00 16.14 C ATOM 1348 O ALA A 101 -0.731 -15.778 -6.723 1.00 16.19 O ATOM 1349 CB ALA A 101 -0.785 -12.515 -6.160 1.00 15.71 C ATOM 1350 HA ALA A 101 -1.743 -13.674 -7.667 1.00 0.00 H ATOM 1351 HB1 ALA A 101 -1.074 -11.572 -6.625 1.00 0.00 H ATOM 1352 HB2 ALA A 101 -0.809 -12.409 -5.075 1.00 0.00 H ATOM 1353 HB3 ALA A 101 0.222 -12.785 -6.478 1.00 0.00 H ATOM 1354 H ALA A 101 -3.273 -12.380 -5.634 1.00 0.00 H ATOM 1355 N ALA A 102 -1.594 -15.230 -4.759 1.00 16.51 N ATOM 1356 CA ALA A 102 -1.188 -16.479 -4.170 1.00 16.74 C ATOM 1357 C ALA A 102 -1.884 -17.648 -4.831 1.00 17.55 C ATOM 1358 O ALA A 102 -1.268 -18.669 -5.079 1.00 17.54 O ATOM 1359 CB ALA A 102 -1.443 -16.474 -2.655 1.00 17.38 C ATOM 1360 HA ALA A 102 -0.117 -16.595 -4.335 1.00 0.00 H ATOM 1361 HB1 ALA A 102 -0.875 -15.666 -2.195 1.00 0.00 H ATOM 1362 HB2 ALA A 102 -2.506 -16.325 -2.467 1.00 0.00 H ATOM 1363 HB3 ALA A 102 -1.128 -17.428 -2.232 1.00 0.00 H ATOM 1364 H ALA A 102 -2.111 -14.534 -4.185 1.00 0.00 H ATOM 1365 N ALA A 103 -3.172 -17.522 -5.089 1.00 16.70 N ATOM 1366 CA ALA A 103 -3.935 -18.616 -5.678 1.00 17.96 C ATOM 1367 C ALA A 103 -3.404 -18.903 -7.086 1.00 18.60 C ATOM 1368 O ALA A 103 -3.251 -20.078 -7.479 1.00 19.83 O ATOM 1369 CB ALA A 103 -5.396 -18.288 -5.713 1.00 18.48 C ATOM 1370 HA ALA A 103 -3.815 -19.508 -5.064 1.00 0.00 H ATOM 1371 HB1 ALA A 103 -5.753 -18.117 -4.697 1.00 0.00 H ATOM 1372 HB2 ALA A 103 -5.551 -17.389 -6.310 1.00 0.00 H ATOM 1373 HB3 ALA A 103 -5.943 -19.120 -6.157 1.00 0.00 H ATOM 1374 H ALA A 103 -3.652 -16.626 -4.868 1.00 0.00 H ATOM 1375 N ILE A 104 -3.146 -17.859 -7.856 1.00 18.88 N ATOM 1376 CA ILE A 104 -2.551 -18.002 -9.198 1.00 19.30 C ATOM 1377 C ILE A 104 -1.146 -18.621 -9.082 1.00 19.81 C ATOM 1378 O ILE A 104 -0.780 -19.521 -9.864 1.00 19.72 O ATOM 1379 CB ILE A 104 -2.486 -16.628 -9.927 1.00 20.29 C ATOM 1380 CG1 ILE A 104 -3.884 -16.172 -10.329 1.00 21.14 C ATOM 1381 CG2 ILE A 104 -1.540 -16.699 -11.124 1.00 21.11 C ATOM 1382 CD1 ILE A 104 -3.902 -14.722 -10.834 1.00 22.23 C ATOM 1383 HA ILE A 104 -3.182 -18.664 -9.791 1.00 0.00 H ATOM 1384 HB ILE A 104 -2.084 -15.882 -9.241 1.00 0.00 H ATOM 1385 HG12 ILE A 104 -4.251 -16.824 -11.122 1.00 0.00 H ATOM 1386 HG13 ILE A 104 -4.541 -16.250 -9.463 1.00 0.00 H ATOM 1387 HD11 ILE A 104 -3.544 -14.060 -10.046 1.00 0.00 H ATOM 1388 HD12 ILE A 104 -3.254 -14.634 -11.706 1.00 0.00 H ATOM 1389 HD13 ILE A 104 -4.921 -14.446 -11.107 1.00 0.00 H ATOM 1390 HG21 ILE A 104 -0.540 -16.965 -10.780 1.00 0.00 H ATOM 1391 HG22 ILE A 104 -1.898 -17.454 -11.824 1.00 0.00 H ATOM 1392 HG23 ILE A 104 -1.509 -15.728 -11.619 1.00 0.00 H ATOM 1393 H ILE A 104 -3.370 -16.906 -7.504 1.00 0.00 H ATOM 1394 N CYS A 105 -0.363 -18.184 -8.105 1.00 18.53 N ATOM 1395 CA CYS A 105 0.970 -18.735 -7.894 1.00 18.75 C ATOM 1396 C CYS A 105 0.895 -20.240 -7.565 1.00 18.65 C ATOM 1397 O CYS A 105 1.663 -21.065 -8.105 1.00 19.06 O ATOM 1398 CB CYS A 105 1.673 -17.937 -6.807 1.00 18.79 C ATOM 1399 SG CYS A 105 3.408 -18.303 -6.563 1.00 19.74 S ATOM 1400 HA CYS A 105 1.555 -18.650 -8.810 1.00 0.00 H ATOM 1401 HB2 CYS A 105 1.156 -18.127 -5.866 1.00 0.00 H ATOM 1402 HB3 CYS A 105 1.587 -16.880 -7.060 1.00 0.00 H ATOM 1403 H CYS A 105 -0.708 -17.431 -7.475 1.00 0.00 H ATOM 1404 N PHE A 106 -0.041 -20.621 -6.703 1.00 18.69 N ATOM 1405 CA PHE A 106 -0.212 -22.035 -6.387 1.00 19.47 C ATOM 1406 C PHE A 106 -0.545 -22.797 -7.668 1.00 20.16 C ATOM 1407 O PHE A 106 0.018 -23.852 -7.899 1.00 20.95 O ATOM 1408 CB PHE A 106 -1.331 -22.243 -5.358 1.00 19.54 C ATOM 1409 CG PHE A 106 -1.029 -21.726 -3.976 1.00 19.78 C ATOM 1410 CD1 PHE A 106 0.252 -21.677 -3.474 1.00 19.78 C ATOM 1411 CD2 PHE A 106 -2.072 -21.333 -3.154 1.00 20.80 C ATOM 1412 CE1 PHE A 106 0.478 -21.217 -2.186 1.00 20.56 C ATOM 1413 CE2 PHE A 106 -1.824 -20.878 -1.878 1.00 20.87 C ATOM 1414 CZ PHE A 106 -0.577 -20.849 -1.395 1.00 19.68 C ATOM 1415 HA PHE A 106 0.717 -22.409 -5.957 1.00 0.00 H ATOM 1416 HB2 PHE A 106 -2.224 -21.735 -5.722 1.00 0.00 H ATOM 1417 HB3 PHE A 106 -1.528 -23.312 -5.284 1.00 0.00 H ATOM 1418 HD2 PHE A 106 -3.097 -21.384 -3.520 1.00 0.00 H ATOM 1419 HE2 PHE A 106 -2.652 -20.538 -1.256 1.00 0.00 H ATOM 1420 HZ PHE A 106 -0.400 -20.531 -0.368 1.00 0.00 H ATOM 1421 HE1 PHE A 106 1.496 -21.148 -1.803 1.00 0.00 H ATOM 1422 HD1 PHE A 106 1.090 -22.001 -4.091 1.00 0.00 H ATOM 1423 H PHE A 106 -0.653 -19.911 -6.253 1.00 0.00 H ATOM 1424 N ARG A 107 -1.456 -22.283 -8.477 1.00 20.09 N ATOM 1425 CA ARG A 107 -1.831 -22.934 -9.739 1.00 21.64 C ATOM 1426 C ARG A 107 -0.653 -23.091 -10.671 1.00 22.39 C ATOM 1427 O ARG A 107 -0.515 -24.149 -11.308 1.00 23.34 O ATOM 1428 CB ARG A 107 -2.895 -22.112 -10.462 1.00 22.14 C ATOM 1429 CG ARG A 107 -3.320 -22.684 -11.813 1.00 24.67 C ATOM 1430 CD ARG A 107 -4.055 -23.942 -11.675 1.00 26.72 C ATOM 1431 NE ARG A 107 -4.323 -24.567 -12.960 1.00 28.87 N ATOM 1432 CZ ARG A 107 -3.470 -25.345 -13.607 1.00 30.94 C ATOM 1433 NH1 ARG A 107 -2.266 -25.601 -13.114 1.00 30.32 N ATOM 1434 NH2 ARG A 107 -3.837 -25.882 -14.762 1.00 33.81 N ATOM 1435 HA ARG A 107 -2.212 -23.922 -9.479 1.00 0.00 H ATOM 1436 HB2 ARG A 107 -3.776 -22.055 -9.823 1.00 0.00 H ATOM 1437 HB3 ARG A 107 -2.500 -21.109 -10.624 1.00 0.00 H ATOM 1438 HG2 ARG A 107 -3.958 -21.958 -12.317 1.00 0.00 H ATOM 1439 HG3 ARG A 107 -2.429 -22.862 -12.415 1.00 0.00 H ATOM 1440 HD2 ARG A 107 -5.004 -23.741 -11.177 1.00 0.00 H ATOM 1441 HD3 ARG A 107 -3.465 -24.628 -11.067 1.00 0.00 H ATOM 1442 HE ARG A 107 -5.248 -24.391 -13.401 1.00 0.00 H ATOM 1443 HH12 ARG A 107 -1.610 -26.215 -13.637 1.00 0.00 H ATOM 1444 HH11 ARG A 107 -1.978 -25.188 -12.204 1.00 0.00 H ATOM 1445 HH22 ARG A 107 -3.178 -26.496 -15.283 1.00 0.00 H ATOM 1446 HH21 ARG A 107 -4.784 -25.690 -15.147 1.00 0.00 H ATOM 1447 H ARG A 107 -1.921 -21.391 -8.212 1.00 0.00 H ATOM 1448 N GLN A 108 0.179 -22.062 -10.788 1.00 22.51 N ATOM 1449 CA GLN A 108 1.353 -22.052 -11.677 1.00 23.47 C ATOM 1450 C GLN A 108 2.436 -23.032 -11.207 1.00 23.75 C ATOM 1451 O GLN A 108 3.283 -23.447 -11.998 1.00 25.86 O ATOM 1452 CB GLN A 108 1.912 -20.617 -11.755 1.00 24.27 C ATOM 1453 CG GLN A 108 3.065 -20.371 -12.724 1.00 26.29 C ATOM 1454 CD GLN A 108 3.105 -18.935 -13.208 1.00 29.23 C ATOM 1455 OE1 GLN A 108 3.077 -18.004 -12.401 1.00 29.79 O ATOM 1456 NE2 GLN A 108 3.122 -18.751 -14.518 1.00 30.33 N ATOM 1457 HA GLN A 108 1.040 -22.381 -12.668 1.00 0.00 H ATOM 1458 HB2 GLN A 108 1.092 -19.960 -12.047 1.00 0.00 H ATOM 1459 HB3 GLN A 108 2.257 -20.344 -10.758 1.00 0.00 H ATOM 1460 HG2 GLN A 108 4.004 -20.599 -12.219 1.00 0.00 H ATOM 1461 HG3 GLN A 108 2.948 -21.029 -13.585 1.00 0.00 H ATOM 1462 HE22 GLN A 108 3.146 -19.570 -15.158 1.00 0.00 H ATOM 1463 HE21 GLN A 108 3.112 -17.787 -14.908 1.00 0.00 H ATOM 1464 H GLN A 108 -0.010 -21.213 -10.218 1.00 0.00 H ATOM 1465 N ASN A 109 2.390 -23.447 -9.948 1.00 23.13 N ATOM 1466 CA ASN A 109 3.415 -24.301 -9.361 1.00 23.39 C ATOM 1467 C ASN A 109 2.923 -25.662 -8.891 1.00 24.04 C ATOM 1468 O ASN A 109 3.652 -26.394 -8.226 1.00 24.25 O ATOM 1469 CB ASN A 109 4.112 -23.509 -8.265 1.00 23.34 C ATOM 1470 CG ASN A 109 4.924 -22.414 -8.841 1.00 22.31 C ATOM 1471 OD1 ASN A 109 5.881 -22.689 -9.566 1.00 23.71 O ATOM 1472 ND2 ASN A 109 4.514 -21.147 -8.622 1.00 22.49 N ATOM 1473 HA ASN A 109 4.125 -24.566 -10.144 1.00 0.00 H ATOM 1474 HB2 ASN A 109 3.361 -23.085 -7.598 1.00 0.00 H ATOM 1475 HB3 ASN A 109 4.762 -24.177 -7.700 1.00 0.00 H ATOM 1476 HD22 ASN A 109 3.700 -20.964 -8.001 1.00 0.00 H ATOM 1477 HD21 ASN A 109 5.012 -20.354 -9.074 1.00 0.00 H ATOM 1478 H ASN A 109 1.589 -23.151 -9.355 1.00 0.00 H ATOM 1479 N LEU A 110 1.716 -26.030 -9.302 1.00 25.23 N ATOM 1480 CA LEU A 110 1.184 -27.343 -8.954 1.00 27.08 C ATOM 1481 C LEU A 110 2.083 -28.476 -9.460 1.00 28.51 C ATOM 1482 O LEU A 110 2.130 -29.556 -8.861 1.00 28.89 O ATOM 1483 CB LEU A 110 -0.188 -27.544 -9.579 1.00 27.30 C ATOM 1484 CG LEU A 110 -1.383 -27.033 -8.793 1.00 27.29 C ATOM 1485 CD1 LEU A 110 -2.662 -27.317 -9.569 1.00 27.28 C ATOM 1486 CD2 LEU A 110 -1.428 -27.680 -7.446 1.00 26.18 C ATOM 1487 HA LEU A 110 1.129 -27.375 -7.866 1.00 0.00 H ATOM 1488 HB2 LEU A 110 -0.188 -27.038 -10.544 1.00 0.00 H ATOM 1489 HB3 LEU A 110 -0.327 -28.614 -9.731 1.00 0.00 H ATOM 1490 HG LEU A 110 -1.289 -25.956 -8.651 1.00 0.00 H ATOM 1491 HD21 LEU A 110 -1.514 -28.760 -7.566 1.00 0.00 H ATOM 1492 HD22 LEU A 110 -0.514 -27.445 -6.901 1.00 0.00 H ATOM 1493 HD23 LEU A 110 -2.289 -27.305 -6.893 1.00 0.00 H ATOM 1494 HD11 LEU A 110 -2.619 -26.813 -10.534 1.00 0.00 H ATOM 1495 HD12 LEU A 110 -2.761 -28.392 -9.723 1.00 0.00 H ATOM 1496 HD13 LEU A 110 -3.518 -26.949 -9.003 1.00 0.00 H ATOM 1497 H LEU A 110 1.145 -25.377 -9.876 1.00 0.00 H ATOM 1498 N ASN A 111 2.793 -28.225 -10.556 1.00 29.32 N ATOM 1499 CA ASN A 111 3.623 -29.261 -11.162 1.00 29.98 C ATOM 1500 C ASN A 111 4.813 -29.655 -10.306 1.00 29.76 C ATOM 1501 O ASN A 111 5.388 -30.734 -10.520 1.00 30.50 O ATOM 1502 CB ASN A 111 4.045 -28.895 -12.581 1.00 30.54 C ATOM 1503 CG ASN A 111 2.868 -28.472 -13.439 1.00 32.33 C ATOM 1504 OD1 ASN A 111 2.969 -28.393 -14.657 1.00 34.42 O ATOM 1505 ND2 ASN A 111 1.732 -28.208 -12.798 1.00 34.50 N ATOM 1506 HA ASN A 111 2.992 -30.147 -11.225 1.00 0.00 H ATOM 1507 HB2 ASN A 111 4.759 -28.073 -12.534 1.00 0.00 H ATOM 1508 HB3 ASN A 111 4.521 -29.761 -13.040 1.00 0.00 H ATOM 1509 HD22 ASN A 111 1.689 -28.287 -11.762 1.00 0.00 H ATOM 1510 HD21 ASN A 111 0.887 -27.922 -13.333 1.00 0.00 H ATOM 1511 H ASN A 111 2.756 -27.279 -10.986 1.00 0.00 H ATOM 1512 N THR A 112 5.171 -28.823 -9.326 1.00 28.84 N ATOM 1513 CA THR A 112 6.260 -29.159 -8.391 1.00 27.73 C ATOM 1514 C THR A 112 5.778 -29.277 -6.942 1.00 27.05 C ATOM 1515 O THR A 112 6.562 -29.516 -6.050 1.00 27.55 O ATOM 1516 CB THR A 112 7.446 -28.193 -8.444 1.00 27.70 C ATOM 1517 OG1 THR A 112 7.018 -26.858 -8.084 1.00 27.16 O ATOM 1518 CG2 THR A 112 8.036 -28.093 -9.846 1.00 28.02 C ATOM 1519 HA THR A 112 6.607 -30.133 -8.736 1.00 0.00 H ATOM 1520 HB THR A 112 8.191 -28.582 -7.750 1.00 0.00 H ATOM 1521 HG1 THR A 112 6.647 -26.868 -7.166 1.00 0.00 H ATOM 1522 HG23 THR A 112 8.376 -29.078 -10.167 1.00 0.00 H ATOM 1523 HG21 THR A 112 7.274 -27.728 -10.534 1.00 0.00 H ATOM 1524 HG22 THR A 112 8.879 -27.402 -9.836 1.00 0.00 H ATOM 1525 H THR A 112 4.671 -27.918 -9.220 1.00 0.00 H ATOM 1526 N TYR A 113 4.490 -29.080 -6.709 1.00 26.32 N ATOM 1527 CA TYR A 113 3.956 -29.285 -5.369 1.00 26.51 C ATOM 1528 C TYR A 113 4.379 -30.680 -4.860 1.00 27.08 C ATOM 1529 O TYR A 113 4.226 -31.676 -5.596 1.00 27.68 O ATOM 1530 CB TYR A 113 2.424 -29.192 -5.404 1.00 25.97 C ATOM 1531 CG TYR A 113 1.783 -29.407 -4.061 1.00 25.43 C ATOM 1532 CD1 TYR A 113 1.635 -30.682 -3.531 1.00 26.57 C ATOM 1533 CD2 TYR A 113 1.310 -28.330 -3.322 1.00 24.33 C ATOM 1534 CE1 TYR A 113 1.068 -30.882 -2.306 1.00 27.25 C ATOM 1535 CE2 TYR A 113 0.735 -28.524 -2.102 1.00 25.91 C ATOM 1536 CZ TYR A 113 0.626 -29.791 -1.580 1.00 27.36 C ATOM 1537 OH TYR A 113 0.035 -29.932 -0.346 1.00 27.25 O ATOM 1538 HA TYR A 113 4.346 -28.518 -4.700 1.00 0.00 H ATOM 1539 HB3 TYR A 113 2.047 -29.948 -6.092 1.00 0.00 H ATOM 1540 HB2 TYR A 113 2.146 -28.202 -5.766 1.00 0.00 H ATOM 1541 HD2 TYR A 113 1.400 -27.320 -3.722 1.00 0.00 H ATOM 1542 HE2 TYR A 113 0.360 -27.671 -1.537 1.00 0.00 H ATOM 1543 HE1 TYR A 113 0.965 -31.890 -1.904 1.00 0.00 H ATOM 1544 HD1 TYR A 113 1.979 -31.542 -4.106 1.00 0.00 H ATOM 1545 HH TYR A 113 0.551 -29.420 0.326 1.00 0.00 H ATOM 1546 H TYR A 113 3.861 -28.780 -7.481 1.00 0.00 H ATOM 1547 N SER A 114 4.884 -30.749 -3.627 1.00 27.54 N ATOM 1548 CA SER A 114 5.359 -32.003 -3.017 1.00 28.25 C ATOM 1549 C SER A 114 4.744 -32.273 -1.640 1.00 28.59 C ATOM 1550 O SER A 114 4.947 -31.502 -0.692 1.00 27.55 O ATOM 1551 CB SER A 114 6.875 -31.958 -2.861 1.00 28.63 C ATOM 1552 OG SER A 114 7.520 -31.898 -4.120 1.00 29.73 O ATOM 1553 HA SER A 114 5.051 -32.806 -3.686 1.00 0.00 H ATOM 1554 HB2 SER A 114 7.205 -32.854 -2.335 1.00 0.00 H ATOM 1555 HB3 SER A 114 7.147 -31.076 -2.280 1.00 0.00 H ATOM 1556 HG SER A 114 7.228 -31.083 -4.601 1.00 0.00 H ATOM 1557 H SER A 114 4.945 -29.874 -3.069 1.00 0.00 H ATOM 1558 N LYS A 115 4.056 -33.403 -1.500 1.00 29.52 N ATOM 1559 CA LYS A 115 3.426 -33.746 -0.226 1.00 30.66 C ATOM 1560 C LYS A 115 4.394 -33.873 0.940 1.00 31.09 C ATOM 1561 O LYS A 115 3.985 -33.782 2.101 1.00 32.03 O ATOM 1562 CB LYS A 115 2.672 -35.071 -0.327 1.00 31.51 C ATOM 1563 CG LYS A 115 1.493 -35.089 -1.265 1.00 34.31 C ATOM 1564 CD LYS A 115 0.819 -36.466 -1.253 1.00 37.44 C ATOM 1565 CE LYS A 115 -0.517 -36.486 -1.986 1.00 39.55 C ATOM 1566 NZ LYS A 115 -1.655 -36.064 -1.114 1.00 40.74 N ATOM 1567 HA LYS A 115 2.756 -32.910 -0.027 1.00 0.00 H ATOM 1568 HB2 LYS A 115 3.377 -35.832 -0.662 1.00 0.00 H ATOM 1569 HB3 LYS A 115 2.310 -35.326 0.669 1.00 0.00 H ATOM 1570 HG2 LYS A 115 0.773 -34.334 -0.951 1.00 0.00 H ATOM 1571 HG3 LYS A 115 1.835 -34.865 -2.276 1.00 0.00 H ATOM 1572 HD2 LYS A 115 1.487 -37.183 -1.730 1.00 0.00 H ATOM 1573 HD3 LYS A 115 0.651 -36.761 -0.217 1.00 0.00 H ATOM 1574 HE2 LYS A 115 -0.706 -37.499 -2.342 1.00 0.00 H ATOM 1575 HE3 LYS A 115 -0.459 -35.808 -2.838 1.00 0.00 H ATOM 1576 HZ1 LYS A 115 -1.725 -36.709 -0.301 1.00 0.00 H ATOM 1577 HZ2 LYS A 115 -1.490 -35.095 -0.775 1.00 0.00 H ATOM 1578 HZ3 LYS A 115 -2.539 -36.095 -1.661 1.00 0.00 H ATOM 1579 H LYS A 115 3.965 -34.051 -2.308 1.00 0.00 H ATOM 1580 N LYS A 116 5.669 -34.111 0.649 1.00 31.32 N ATOM 1581 CA LYS A 116 6.666 -34.219 1.707 1.00 31.69 C ATOM 1582 C LYS A 116 6.867 -32.932 2.495 1.00 30.92 C ATOM 1583 O LYS A 116 7.534 -32.940 3.523 1.00 31.24 O ATOM 1584 CB LYS A 116 8.020 -34.613 1.143 1.00 32.53 C ATOM 1585 CG LYS A 116 8.614 -33.524 0.283 1.00 34.52 C ATOM 1586 CD LYS A 116 10.110 -33.562 0.249 1.00 37.12 C ATOM 1587 CE LYS A 116 10.654 -33.362 -1.165 1.00 38.68 C ATOM 1588 NZ LYS A 116 9.716 -33.696 -2.286 1.00 39.15 N ATOM 1589 HA LYS A 116 6.273 -34.983 2.378 1.00 0.00 H ATOM 1590 HB2 LYS A 116 8.700 -34.818 1.970 1.00 0.00 H ATOM 1591 HB3 LYS A 116 7.902 -35.513 0.540 1.00 0.00 H ATOM 1592 HG2 LYS A 116 8.239 -33.640 -0.734 1.00 0.00 H ATOM 1593 HG3 LYS A 116 8.299 -32.558 0.677 1.00 0.00 H ATOM 1594 HD2 LYS A 116 10.497 -32.771 0.891 1.00 0.00 H ATOM 1595 HD3 LYS A 116 10.447 -34.529 0.623 1.00 0.00 H ATOM 1596 HE2 LYS A 116 11.539 -33.989 -1.273 1.00 0.00 H ATOM 1597 HE3 LYS A 116 10.937 -32.314 -1.268 1.00 0.00 H ATOM 1598 HZ1 LYS A 116 9.443 -34.697 -2.221 1.00 0.00 H ATOM 1599 HZ2 LYS A 116 8.868 -33.099 -2.216 1.00 0.00 H ATOM 1600 HZ3 LYS A 116 10.189 -33.523 -3.196 1.00 0.00 H ATOM 1601 H LYS A 116 5.958 -34.221 -0.344 1.00 0.00 H ATOM 1602 N TYR A 117 6.343 -31.816 1.981 1.00 29.43 N ATOM 1603 CA TYR A 117 6.481 -30.546 2.676 1.00 27.42 C ATOM 1604 C TYR A 117 5.258 -30.221 3.517 1.00 26.42 C ATOM 1605 O TYR A 117 5.256 -29.226 4.210 1.00 25.01 O ATOM 1606 CB TYR A 117 6.788 -29.405 1.697 1.00 26.88 C ATOM 1607 CG TYR A 117 8.170 -29.492 1.075 1.00 26.68 C ATOM 1608 CD1 TYR A 117 9.298 -29.687 1.851 1.00 27.50 C ATOM 1609 CD2 TYR A 117 8.337 -29.377 -0.302 1.00 26.79 C ATOM 1610 CE1 TYR A 117 10.560 -29.771 1.289 1.00 29.09 C ATOM 1611 CE2 TYR A 117 9.618 -29.452 -0.881 1.00 28.43 C ATOM 1612 CZ TYR A 117 10.715 -29.654 -0.076 1.00 29.27 C ATOM 1613 OH TYR A 117 11.981 -29.729 -0.637 1.00 31.95 O ATOM 1614 HA TYR A 117 7.327 -30.648 3.356 1.00 0.00 H ATOM 1615 HB3 TYR A 117 6.711 -28.460 2.234 1.00 0.00 H ATOM 1616 HB2 TYR A 117 6.048 -29.429 0.897 1.00 0.00 H ATOM 1617 HD2 TYR A 117 7.466 -29.227 -0.940 1.00 0.00 H ATOM 1618 HE2 TYR A 117 9.740 -29.351 -1.959 1.00 0.00 H ATOM 1619 HE1 TYR A 117 11.431 -29.930 1.925 1.00 0.00 H ATOM 1620 HD1 TYR A 117 9.190 -29.777 2.932 1.00 0.00 H ATOM 1621 HH TYR A 117 12.649 -29.876 0.078 1.00 0.00 H ATOM 1622 H TYR A 117 5.832 -31.856 1.076 1.00 0.00 H ATOM 1623 N MET A 118 4.222 -31.053 3.482 1.00 26.40 N ATOM 1624 CA MET A 118 3.073 -30.838 4.358 1.00 27.47 C ATOM 1625 C MET A 118 3.533 -31.121 5.789 1.00 27.30 C ATOM 1626 O MET A 118 4.302 -32.048 6.029 1.00 27.80 O ATOM 1627 CB MET A 118 1.916 -31.759 3.980 1.00 28.33 C ATOM 1628 CG MET A 118 1.227 -31.367 2.674 1.00 30.08 C ATOM 1629 SD MET A 118 0.171 -32.662 1.942 1.00 34.00 S ATOM 1630 CE MET A 118 0.102 -33.829 3.295 1.00 34.38 C ATOM 1631 HA MET A 118 2.713 -29.814 4.261 1.00 0.00 H ATOM 1632 HB2 MET A 118 2.302 -32.773 3.876 1.00 0.00 H ATOM 1633 HB3 MET A 118 1.178 -31.733 4.781 1.00 0.00 H ATOM 1634 HG2 MET A 118 1.998 -31.109 1.948 1.00 0.00 H ATOM 1635 HG3 MET A 118 0.605 -30.493 2.868 1.00 0.00 H ATOM 1636 HE1 MET A 118 1.110 -34.167 3.533 1.00 0.00 H ATOM 1637 HE2 MET A 118 -0.337 -33.346 4.168 1.00 0.00 H ATOM 1638 HE3 MET A 118 -0.510 -34.683 3.005 1.00 0.00 H ATOM 1639 H MET A 118 4.229 -31.861 2.828 1.00 0.00 H ATOM 1640 N LEU A 119 3.035 -30.349 6.738 1.00 27.79 N ATOM 1641 CA LEU A 119 3.415 -30.487 8.144 1.00 28.15 C ATOM 1642 C LEU A 119 4.917 -30.343 8.356 1.00 27.97 C ATOM 1643 O LEU A 119 5.469 -30.920 9.278 1.00 29.21 O ATOM 1644 CB LEU A 119 2.888 -31.810 8.753 1.00 28.66 C ATOM 1645 CG LEU A 119 1.364 -32.027 8.702 1.00 29.30 C ATOM 1646 CD1 LEU A 119 0.959 -33.392 9.213 1.00 29.79 C ATOM 1647 CD2 LEU A 119 0.615 -30.994 9.476 1.00 29.56 C ATOM 1648 HA LEU A 119 2.937 -29.663 8.675 1.00 0.00 H ATOM 1649 HB2 LEU A 119 3.359 -32.633 8.216 1.00 0.00 H ATOM 1650 HB3 LEU A 119 3.193 -31.839 9.799 1.00 0.00 H ATOM 1651 HG LEU A 119 1.103 -31.945 7.647 1.00 0.00 H ATOM 1652 HD21 LEU A 119 0.925 -31.028 10.520 1.00 0.00 H ATOM 1653 HD22 LEU A 119 0.829 -30.008 9.064 1.00 0.00 H ATOM 1654 HD23 LEU A 119 -0.454 -31.194 9.407 1.00 0.00 H ATOM 1655 HD11 LEU A 119 1.430 -34.162 8.602 1.00 0.00 H ATOM 1656 HD12 LEU A 119 1.281 -33.501 10.249 1.00 0.00 H ATOM 1657 HD13 LEU A 119 -0.125 -33.493 9.155 1.00 0.00 H ATOM 1658 H LEU A 119 2.346 -29.615 6.476 1.00 0.00 H ATOM 1659 N TYR A 120 5.579 -29.515 7.544 1.00 27.09 N ATOM 1660 CA TYR A 120 7.026 -29.336 7.635 1.00 26.54 C ATOM 1661 C TYR A 120 7.435 -28.753 8.997 1.00 25.97 C ATOM 1662 O TYR A 120 6.842 -27.789 9.461 1.00 25.74 O ATOM 1663 CB TYR A 120 7.490 -28.404 6.499 1.00 27.03 C ATOM 1664 CG TYR A 120 8.968 -28.486 6.234 1.00 27.86 C ATOM 1665 CD1 TYR A 120 9.526 -29.617 5.661 1.00 29.65 C ATOM 1666 CD2 TYR A 120 9.806 -27.430 6.548 1.00 28.48 C ATOM 1667 CE1 TYR A 120 10.875 -29.702 5.417 1.00 29.94 C ATOM 1668 CE2 TYR A 120 11.167 -27.492 6.301 1.00 29.08 C ATOM 1669 CZ TYR A 120 11.704 -28.624 5.724 1.00 30.49 C ATOM 1670 OH TYR A 120 13.070 -28.680 5.490 1.00 31.27 O ATOM 1671 HA TYR A 120 7.505 -30.310 7.537 1.00 0.00 H ATOM 1672 HB3 TYR A 120 7.242 -27.377 6.769 1.00 0.00 H ATOM 1673 HB2 TYR A 120 6.958 -28.677 5.587 1.00 0.00 H ATOM 1674 HD2 TYR A 120 9.386 -26.531 6.999 1.00 0.00 H ATOM 1675 HE2 TYR A 120 11.810 -26.651 6.561 1.00 0.00 H ATOM 1676 HE1 TYR A 120 11.296 -30.610 4.985 1.00 0.00 H ATOM 1677 HD1 TYR A 120 8.882 -30.456 5.399 1.00 0.00 H ATOM 1678 HH TYR A 120 13.297 -29.550 5.075 1.00 0.00 H ATOM 1679 H TYR A 120 5.049 -28.982 6.826 1.00 0.00 H ATOM 1680 N PRO A 121 8.434 -29.329 9.667 1.00 25.54 N ATOM 1681 CA PRO A 121 8.803 -28.847 11.001 1.00 25.38 C ATOM 1682 C PRO A 121 9.514 -27.513 11.063 1.00 25.32 C ATOM 1683 O PRO A 121 10.432 -27.192 10.290 1.00 25.00 O ATOM 1684 CB PRO A 121 9.692 -29.978 11.557 1.00 25.38 C ATOM 1685 CG PRO A 121 10.245 -30.620 10.375 1.00 26.20 C ATOM 1686 CD PRO A 121 9.237 -30.503 9.274 1.00 26.14 C ATOM 1687 HA PRO A 121 7.901 -28.642 11.578 1.00 0.00 H ATOM 1688 HD3 PRO A 121 9.726 -30.338 8.314 1.00 0.00 H ATOM 1689 HD2 PRO A 121 8.617 -31.398 9.216 1.00 0.00 H ATOM 1690 HG3 PRO A 121 10.446 -31.671 10.584 1.00 0.00 H ATOM 1691 HG2 PRO A 121 11.171 -30.125 10.084 1.00 0.00 H ATOM 1692 HB2 PRO A 121 10.487 -29.572 12.183 1.00 0.00 H ATOM 1693 HB3 PRO A 121 9.099 -30.684 12.138 1.00 0.00 H ATOM 1694 N ASP A 122 9.071 -26.731 12.034 1.00 24.42 N ATOM 1695 CA ASP A 122 9.606 -25.396 12.243 1.00 25.26 C ATOM 1696 C ASP A 122 11.134 -25.374 12.271 1.00 25.39 C ATOM 1697 O ASP A 122 11.777 -24.412 11.811 1.00 26.33 O ATOM 1698 CB ASP A 122 9.087 -24.828 13.546 1.00 25.75 C ATOM 1699 CG ASP A 122 9.623 -23.419 13.824 1.00 27.17 C ATOM 1700 OD1 ASP A 122 9.031 -22.435 13.309 1.00 30.67 O ATOM 1701 OD2 ASP A 122 10.632 -23.220 14.523 1.00 26.35 O ATOM 1702 HA ASP A 122 9.275 -24.790 11.400 1.00 0.00 H ATOM 1703 HB2 ASP A 122 7.999 -24.786 13.501 1.00 0.00 H ATOM 1704 HB3 ASP A 122 9.391 -25.485 14.361 1.00 0.00 H ATOM 1705 H ASP A 122 8.321 -27.081 12.664 1.00 0.00 H ATOM 1706 N PHE A 124 11.902 -26.331 12.987 1.00 27.70 N ATOM 1707 CA PHE A 124 13.335 -26.235 13.212 1.00 27.98 C ATOM 1708 C PHE A 124 14.116 -26.295 11.900 1.00 28.08 C ATOM 1709 O PHE A 124 15.296 -25.898 11.871 1.00 27.70 O ATOM 1710 CB PHE A 124 13.804 -27.322 14.213 1.00 28.13 C ATOM 1711 CG PHE A 124 14.068 -28.650 13.593 1.00 29.13 C ATOM 1712 CD1 PHE A 124 13.028 -29.485 13.253 1.00 29.34 C ATOM 1713 CD2 PHE A 124 15.365 -29.082 13.356 1.00 30.72 C ATOM 1714 CE1 PHE A 124 13.249 -30.710 12.672 1.00 31.06 C ATOM 1715 CE2 PHE A 124 15.599 -30.326 12.771 1.00 31.68 C ATOM 1716 CZ PHE A 124 14.532 -31.135 12.429 1.00 31.76 C ATOM 1717 HA PHE A 124 13.543 -25.261 13.656 1.00 0.00 H ATOM 1718 HB2 PHE A 124 14.723 -26.977 14.687 1.00 0.00 H ATOM 1719 HB3 PHE A 124 13.030 -27.446 14.971 1.00 0.00 H ATOM 1720 HD2 PHE A 124 16.206 -28.445 13.629 1.00 0.00 H ATOM 1721 HE2 PHE A 124 16.620 -30.659 12.584 1.00 0.00 H ATOM 1722 HZ PHE A 124 14.708 -32.107 11.968 1.00 0.00 H ATOM 1723 HE1 PHE A 124 12.405 -31.345 12.404 1.00 0.00 H ATOM 1724 HD1 PHE A 124 12.004 -29.167 13.450 1.00 0.00 H ATOM 1725 H PHE A 124 11.405 -27.157 13.377 1.00 0.00 H ATOM 1726 N LEU A 125 13.495 -26.789 10.826 1.00 28.53 N ATOM 1727 CA LEU A 125 14.135 -26.816 9.510 1.00 29.12 C ATOM 1728 C LEU A 125 13.934 -25.505 8.741 1.00 29.40 C ATOM 1729 O LEU A 125 14.383 -25.386 7.611 1.00 30.42 O ATOM 1730 CB LEU A 125 13.646 -27.987 8.676 1.00 29.59 C ATOM 1731 CG LEU A 125 14.069 -29.319 9.296 1.00 31.40 C ATOM 1732 CD1 LEU A 125 13.566 -30.467 8.457 1.00 33.38 C ATOM 1733 CD2 LEU A 125 15.581 -29.388 9.485 1.00 33.27 C ATOM 1734 HA LEU A 125 15.203 -26.939 9.692 1.00 0.00 H ATOM 1735 HB2 LEU A 125 12.558 -27.952 8.615 1.00 0.00 H ATOM 1736 HB3 LEU A 125 14.067 -27.911 7.674 1.00 0.00 H ATOM 1737 HG LEU A 125 13.619 -29.396 10.286 1.00 0.00 H ATOM 1738 HD21 LEU A 125 16.072 -29.284 8.517 1.00 0.00 H ATOM 1739 HD22 LEU A 125 15.901 -28.581 10.145 1.00 0.00 H ATOM 1740 HD23 LEU A 125 15.847 -30.348 9.928 1.00 0.00 H ATOM 1741 HD11 LEU A 125 12.478 -30.427 8.404 1.00 0.00 H ATOM 1742 HD12 LEU A 125 13.983 -30.392 7.453 1.00 0.00 H ATOM 1743 HD13 LEU A 125 13.874 -31.409 8.910 1.00 0.00 H ATOM 1744 H LEU A 125 12.531 -27.165 10.927 1.00 0.00 H ATOM 1745 N CYS A 126 13.325 -24.523 9.390 1.00 29.29 N ATOM 1746 CA CYS A 126 13.128 -23.195 8.801 1.00 29.74 C ATOM 1747 C CYS A 126 13.890 -22.172 9.652 1.00 31.62 C ATOM 1748 O CYS A 126 13.413 -21.762 10.697 1.00 32.44 O ATOM 1749 CB CYS A 126 11.656 -22.879 8.799 1.00 28.43 C ATOM 1750 SG CYS A 126 10.748 -24.103 7.880 1.00 24.79 S ATOM 1751 HA CYS A 126 13.499 -23.164 7.777 1.00 0.00 H ATOM 1752 HB2 CYS A 126 11.501 -21.901 8.343 1.00 0.00 H ATOM 1753 HB3 CYS A 126 11.293 -22.861 9.827 1.00 0.00 H ATOM 1754 H CYS A 126 12.974 -24.701 10.353 1.00 0.00 H ATOM 1755 N LYS A 127 15.076 -21.755 9.218 1.00 33.55 N ATOM 1756 CA LYS A 127 15.907 -20.883 10.043 1.00 35.34 C ATOM 1757 C LYS A 127 16.379 -19.678 9.214 1.00 35.98 C ATOM 1758 O LYS A 127 16.740 -19.830 8.051 1.00 36.01 O ATOM 1759 CB LYS A 127 17.148 -21.646 10.623 1.00 36.46 C ATOM 1760 CG LYS A 127 16.942 -22.738 11.801 1.00 38.71 C ATOM 1761 CD LYS A 127 15.772 -22.339 12.747 1.00 41.61 C ATOM 1762 CE LYS A 127 15.300 -23.247 13.895 1.00 43.33 C ATOM 1763 NZ LYS A 127 13.853 -22.857 13.992 1.00 45.28 N ATOM 1764 HA LYS A 127 15.302 -20.540 10.882 1.00 0.00 H ATOM 1765 HB2 LYS A 127 17.617 -22.166 9.788 1.00 0.00 H ATOM 1766 HB3 LYS A 127 17.832 -20.890 11.009 1.00 0.00 H ATOM 1767 HG2 LYS A 127 16.721 -23.707 11.352 1.00 0.00 H ATOM 1768 HG3 LYS A 127 17.861 -22.810 12.383 1.00 0.00 H ATOM 1769 HD2 LYS A 127 16.061 -21.393 13.206 1.00 0.00 H ATOM 1770 HD3 LYS A 127 14.904 -22.181 12.107 1.00 0.00 H ATOM 1771 HE2 LYS A 127 15.835 -23.034 14.820 1.00 0.00 H ATOM 1772 HE3 LYS A 127 15.415 -24.302 13.645 1.00 0.00 H ATOM 1773 HZ1 LYS A 127 13.782 -21.842 14.209 1.00 0.00 H ATOM 1774 HZ2 LYS A 127 13.381 -23.053 13.086 1.00 0.00 H ATOM 1775 HZ3 LYS A 127 13.397 -23.407 14.748 1.00 0.00 H ATOM 1776 H LYS A 127 15.415 -22.053 8.281 1.00 0.00 H ATOM 1777 N GLY A 128 16.369 -18.489 9.800 1.00 37.03 N ATOM 1778 CA GLY A 128 16.918 -17.320 9.120 1.00 38.08 C ATOM 1779 C GLY A 128 15.933 -16.261 8.628 1.00 39.19 C ATOM 1780 O GLY A 128 14.748 -16.529 8.484 1.00 39.20 O ATOM 1781 HA3 GLY A 128 17.473 -17.678 8.253 1.00 0.00 H ATOM 1782 HA2 GLY A 128 17.604 -16.832 9.812 1.00 0.00 H ATOM 1783 H GLY A 128 15.966 -18.388 10.753 1.00 0.00 H ATOM 1784 N GLU A 129 16.459 -15.043 8.474 1.00 40.34 N ATOM 1785 CA GLU A 129 15.879 -13.839 7.801 1.00 41.31 C ATOM 1786 C GLU A 129 14.895 -13.789 6.607 1.00 40.97 C ATOM 1787 O GLU A 129 13.696 -13.609 6.774 1.00 41.81 O ATOM 1788 CB GLU A 129 17.086 -13.069 7.265 1.00 42.19 C ATOM 1789 CG GLU A 129 17.761 -13.652 6.029 1.00 44.14 C ATOM 1790 CD GLU A 129 19.247 -13.572 6.225 1.00 47.11 C ATOM 1791 OE1 GLU A 129 19.767 -14.401 6.999 1.00 49.08 O ATOM 1792 OE2 GLU A 129 19.873 -12.637 5.685 1.00 48.57 O ATOM 1793 HA GLU A 129 15.226 -13.515 8.611 1.00 0.00 H ATOM 1794 HB2 GLU A 129 16.755 -12.060 7.019 1.00 0.00 H ATOM 1795 HB3 GLU A 129 17.830 -13.022 8.060 1.00 0.00 H ATOM 1796 HG2 GLU A 129 17.461 -14.692 5.900 1.00 0.00 H ATOM 1797 HG3 GLU A 129 17.473 -13.080 5.147 1.00 0.00 H ATOM 1798 H GLU A 129 17.408 -14.913 8.880 1.00 0.00 H ATOM 1799 N LEU A 130 15.469 -13.856 5.406 1.00 40.21 N ATOM 1800 CA LEU A 130 14.834 -13.581 4.111 1.00 38.70 C ATOM 1801 C LEU A 130 13.849 -12.426 4.024 1.00 36.78 C ATOM 1802 O LEU A 130 12.637 -12.598 4.089 1.00 37.40 O ATOM 1803 CB LEU A 130 14.240 -14.821 3.478 1.00 39.33 C ATOM 1804 CG LEU A 130 13.919 -14.580 1.999 1.00 40.74 C ATOM 1805 CD1 LEU A 130 15.135 -14.180 1.173 1.00 41.77 C ATOM 1806 CD2 LEU A 130 13.352 -15.825 1.436 1.00 41.61 C ATOM 1807 HA LEU A 130 15.692 -13.232 3.537 1.00 0.00 H ATOM 1808 HB2 LEU A 130 14.954 -15.641 3.560 1.00 0.00 H ATOM 1809 HB3 LEU A 130 13.323 -15.086 4.004 1.00 0.00 H ATOM 1810 HG LEU A 130 13.215 -13.749 1.951 1.00 0.00 H ATOM 1811 HD21 LEU A 130 14.079 -16.631 1.534 1.00 0.00 H ATOM 1812 HD22 LEU A 130 12.443 -16.086 1.978 1.00 0.00 H ATOM 1813 HD23 LEU A 130 13.117 -15.672 0.383 1.00 0.00 H ATOM 1814 HD11 LEU A 130 15.556 -13.257 1.572 1.00 0.00 H ATOM 1815 HD12 LEU A 130 15.882 -14.972 1.221 1.00 0.00 H ATOM 1816 HD13 LEU A 130 14.834 -14.026 0.137 1.00 0.00 H ATOM 1817 H LEU A 130 16.471 -14.132 5.384 1.00 0.00 H ATOM 1818 N LYS A 131 14.407 -11.249 3.836 1.00 33.93 N ATOM 1819 CA LYS A 131 13.636 -10.028 3.691 1.00 32.14 C ATOM 1820 C LYS A 131 12.707 -9.985 2.474 1.00 29.79 C ATOM 1821 O LYS A 131 12.998 -10.506 1.408 1.00 25.45 O ATOM 1822 CB LYS A 131 14.607 -8.872 3.623 1.00 32.45 C ATOM 1823 CG LYS A 131 15.529 -8.816 4.828 1.00 35.06 C ATOM 1824 CD LYS A 131 16.497 -7.687 4.691 1.00 37.09 C ATOM 1825 CE LYS A 131 17.598 -7.756 5.731 1.00 38.94 C ATOM 1826 NZ LYS A 131 18.435 -6.530 5.671 1.00 40.80 N ATOM 1827 HA LYS A 131 12.974 -9.972 4.555 1.00 0.00 H ATOM 1828 HB2 LYS A 131 15.213 -8.977 2.723 1.00 0.00 H ATOM 1829 HB3 LYS A 131 14.041 -7.942 3.572 1.00 0.00 H ATOM 1830 HG2 LYS A 131 14.934 -8.672 5.730 1.00 0.00 H ATOM 1831 HG3 LYS A 131 16.079 -9.754 4.904 1.00 0.00 H ATOM 1832 HD2 LYS A 131 16.946 -7.726 3.699 1.00 0.00 H ATOM 1833 HD3 LYS A 131 15.960 -6.746 4.808 1.00 0.00 H ATOM 1834 HE2 LYS A 131 18.222 -8.629 5.538 1.00 0.00 H ATOM 1835 HE3 LYS A 131 17.153 -7.841 6.722 1.00 0.00 H ATOM 1836 HZ1 LYS A 131 18.862 -6.449 4.726 1.00 0.00 H ATOM 1837 HZ2 LYS A 131 17.841 -5.697 5.857 1.00 0.00 H ATOM 1838 HZ3 LYS A 131 19.186 -6.589 6.388 1.00 0.00 H ATOM 1839 H LYS A 131 15.444 -11.191 3.789 1.00 0.00 H ATOM 1840 N CYS A 133 11.577 -9.378 2.768 1.00 24.41 N ATOM 1841 CA CYS A 133 10.582 -9.215 1.712 1.00 24.69 C ATOM 1842 C CYS A 133 11.062 -8.324 0.565 1.00 26.34 C ATOM 1843 O CYS A 133 10.675 -8.563 -0.584 1.00 27.18 O ATOM 1844 CB CYS A 133 9.305 -8.639 2.317 1.00 23.99 C ATOM 1845 SG CYS A 133 8.422 -9.809 3.386 1.00 22.15 S ATOM 1846 HA CYS A 133 10.398 -10.200 1.283 1.00 0.00 H ATOM 1847 OXT CYS A 133 11.845 -7.396 0.810 1.00 28.44 O ATOM 1848 HB2 CYS A 133 8.641 -8.343 1.505 1.00 0.00 H ATOM 1849 HB3 CYS A 133 9.568 -7.761 2.908 1.00 0.00 H ATOM 1850 H CYS A 133 11.397 -9.023 3.729 1.00 0.00 H TER 1851 CYS A 133 HETATM 1852 O HOH 1 -8.281 -8.165 -9.861 1.00 21.54 O HETATM 1853 O HOH 2 -2.346 -7.494 7.054 1.00 31.38 O HETATM 1854 O HOH 3 -6.411 -18.937 -13.054 1.00 33.88 O HETATM 1855 O HOH 4 20.407 -9.158 4.589 1.00 46.18 O HETATM 1856 O HOH 5 -17.837 -3.685 -5.867 1.00 35.22 O HETATM 1857 O HOH 6 -11.727 -23.294 9.022 1.00 44.23 O HETATM 1858 O HOH 7 -13.119 -22.306 2.615 1.00 32.34 O HETATM 1859 O HOH 8 -10.891 -31.339 -5.947 1.00 40.35 O HETATM 1860 O HOH 9 -18.081 -14.220 10.384 1.00 40.81 O HETATM 1861 O HOH 10 -17.472 -8.753 -15.701 1.00 45.62 O HETATM 1862 O HOH 11 -15.107 -17.740 -8.437 1.00 38.05 O HETATM 1863 O HOH 12 -8.265 -5.643 -5.564 1.00 41.51 O HETATM 1864 O HOH 13 -6.200 -22.083 5.770 1.00 43.28 O HETATM 1865 O HOH 14 -17.723 -17.902 0.531 1.00 40.97 O HETATM 1866 O HOH 15 -10.093 -21.451 7.817 1.00 45.63 O HETATM 1867 O HOH 16 -13.637 2.118 -2.104 1.00 48.73 O HETATM 1868 O HOH 17 12.591 -32.604 2.863 1.00 42.88 O HETATM 1869 O HOH 18 1.791 -15.205 -3.550 1.00 17.33 O HETATM 1870 O HOH 19 -14.588 -26.576 -7.327 1.00 41.31 O HETATM 1871 O HOH 20 9.722 -25.281 -9.641 1.00 45.38 O HETATM 1872 O HOH 21 -16.726 -16.238 11.091 1.00 46.01 O HETATM 1873 O HOH 22 -8.524 -7.693 -14.442 1.00 41.66 O HETATM 1874 O HOH 23 -12.921 -29.518 3.126 1.00 44.24 O HETATM 1875 O HOH 24 -18.953 -22.094 -0.004 1.00 51.25 O HETATM 1876 O HOH 25 -11.120 -18.803 8.942 1.00 44.04 O HETATM 1877 O HOH 26 1.825 -31.314 -12.665 1.00 49.46 O HETATM 1878 O HOH 27 -12.521 -4.341 -10.144 1.00 46.31 O HETATM 1879 O HOH 28 -19.442 -13.104 -8.828 1.00 40.84 O HETATM 1880 O HOH 29 -7.162 -1.162 -5.651 1.00 45.41 O HETATM 1881 O HOH 30 -10.189 -11.325 6.073 1.00 49.22 O HETATM 1882 O HOH 31 4.128 -34.950 5.830 1.00 44.43 O HETATM 1883 O HOH 32 -5.889 -22.252 8.550 1.00 38.97 O HETATM 1884 O HOH 33 5.504 -23.724 -13.725 1.00 39.63 O HETATM 1885 O HOH 34 3.895 -5.392 8.480 1.00 34.62 O HETATM 1886 O HOH 35 8.261 -24.884 -13.147 1.00 49.62 O HETATM 1887 O HOH 36 16.119 -21.795 -6.084 1.00 34.45 O HETATM 1888 O HOH 37 -3.104 -16.521 4.447 1.00 43.85 O HETATM 1889 O HOH 38 1.665 -10.849 -4.345 1.00 16.72 O HETATM 1890 O HOH 39 -12.062 -3.026 5.439 1.00 17.72 O HETATM 1891 O HOH 40 0.575 -12.801 -2.718 1.00 17.40 O HETATM 1892 O HOH 41 -8.218 -12.892 3.009 1.00 18.91 O HETATM 1893 O HOH 42 -6.721 0.484 7.752 1.00 19.14 O HETATM 1894 O HOH 43 -3.162 -9.964 -7.761 1.00 18.20 O HETATM 1895 O HOH 44 7.555 -12.984 4.959 1.00 32.96 O HETATM 1896 O HOH 45 -0.418 -9.329 -5.195 1.00 18.29 O HETATM 1897 O HOH 46 -9.444 0.277 4.066 1.00 19.67 O HETATM 1898 O HOH 47 -11.592 1.163 -3.331 1.00 50.27 O HETATM 1899 O HOH 48 10.697 -7.989 5.703 1.00 38.46 O HETATM 1900 O HOH 49 -17.005 -17.486 3.486 1.00 50.21 O HETATM 1901 O HOH 50 -3.891 -14.792 11.552 1.00 49.82 O HETATM 1902 O HOH 51 -8.108 -21.829 9.827 1.00 45.70 O HETATM 1903 O HOH 52 -16.777 -13.045 -4.020 1.00 37.06 O HETATM 1904 O HOH 53 -5.310 -24.992 -16.418 1.00 48.40 O HETATM 1905 O HOH 54 16.593 -20.991 -2.748 1.00 49.18 O HETATM 1906 O HOH 55 17.091 -22.812 7.733 1.00 47.24 O HETATM 1907 O HOH 56 6.484 -35.698 -1.551 1.00 42.93 O HETATM 1908 O HOH 57 -18.456 -5.731 -4.227 1.00 38.66 O HETATM 1909 O HOH 58 -16.424 -21.231 -18.808 1.00 51.03 O HETATM 1910 O HOH 59 -14.575 -17.887 10.709 1.00 49.85 O HETATM 1911 O HOH 60 -14.219 -21.751 9.637 1.00 43.54 O HETATM 1912 O HOH 61 3.931 -39.577 -4.856 1.00 44.68 O HETATM 1913 O HOH 62 -10.529 0.810 -5.716 1.00 51.62 O HETATM 1914 O HOH 63 -4.997 -36.290 -0.722 1.00 47.84 O HETATM 1915 O HOH 64 -6.480 -0.115 -8.495 1.00 45.41 O HETATM 1916 O HOH 65 -16.066 -17.365 -4.107 1.00 48.98 O HETATM 1917 O HOH 66 -14.180 -12.956 8.749 1.00 48.60 O HETATM 1918 O HOH 67 14.807 -16.475 11.247 1.00 51.59 O HETATM 1919 O HOH 68 0.143 -28.307 4.331 1.00 33.24 O HETATM 1920 O HOH 69 -7.655 5.186 -3.613 1.00 44.68 O HETATM 1921 O HOH 70 -16.685 -12.943 8.873 1.00 52.39 O HETATM 1922 O HOH 71 -8.953 -5.119 6.843 1.00 18.67 O HETATM 1923 O HOH 72 18.675 -5.846 3.040 1.00 42.98 O HETATM 1924 O HOH 73 18.828 -14.108 9.730 1.00 46.63 O HETATM 1925 O HOH 74 -22.897 -10.265 0.963 1.00 52.68 O HETATM 1926 O HOH 75 8.753 -19.988 14.943 1.00 49.26 O HETATM 1927 O HOH 76 12.746 -15.050 9.529 1.00 51.69 O HETATM 1928 O HOH 77 7.445 -31.743 -12.301 1.00 41.47 O HETATM 1929 O HOH 78 -12.034 -32.097 -2.327 1.00 44.42 O HETATM 1930 O HOH 79 4.644 -3.275 9.741 1.00 42.70 O HETATM 1931 O HOH 80 -15.686 4.625 -3.145 1.00 47.24 O HETATM 1932 O HOH 81 -2.690 -34.209 0.480 1.00 48.53 O HETATM 1933 O HOH 82 19.151 -18.408 11.924 1.00 44.62 O HETATM 1934 O HOH 83 8.111 -22.516 10.334 1.00 51.83 O HETATM 1935 O HOH 84 -15.305 -16.549 -23.238 1.00 49.95 O HETATM 1936 O HOH 85 -0.478 1.128 6.052 1.00 43.78 O HETATM 1937 O HOH 86 -9.698 -15.223 -18.806 1.00 50.05 O HETATM 1938 O HOH 87 -8.052 -3.017 -9.910 1.00 51.87 O HETATM 1939 O HOH 88 3.246 -16.171 13.168 1.00 46.36 O HETATM 1940 O HOH 89 19.091 -19.113 1.125 1.00 51.93 O HETATM 1941 O HOH 90 16.118 -28.798 1.936 1.00 50.14 O HETATM 1942 O HOH 91 -17.113 -13.268 -19.892 1.00 49.40 O HETATM 1943 O HOH 92 0.286 -17.017 12.551 1.00 50.18 O HETATM 1944 O HOH 93 -3.308 -36.346 -5.547 1.00 49.52 O HETATM 1945 O HOH 94 -17.627 -18.980 -20.830 1.00 50.53 O HETATM 1946 O HOH 95 -6.004 -3.310 -4.638 1.00 45.77 O HETATM 1947 O HOH 96 -8.770 -3.114 8.933 1.00 18.37 O HETATM 1948 O HOH 97 1.181 0.188 2.674 1.00 48.80 O HETATM 1949 O HOH 98 -11.615 2.249 2.139 1.00 20.17 O HETATM 1950 O HOH 99 -14.689 -28.475 1.017 1.00 47.24 O HETATM 1951 O HOH 100 -17.508 -15.399 -2.972 1.00 54.14 O HETATM 1952 O HOH 101 2.304 -38.374 -6.991 1.00 51.55 O HETATM 1953 O HOH 102 14.443 -30.275 0.927 1.00 38.10 O HETATM 1954 O HOH 103 -7.241 -16.710 -13.932 1.00 50.03 O HETATM 1955 O HOH 104 -17.919 -12.845 2.000 1.00 47.04 O HETATM 1956 O HOH 105 -4.283 -20.607 6.627 1.00 49.92 O HETATM 1957 O HOH 106 0.248 -33.480 -5.391 1.00 39.58 O HETATM 1958 O HOH 107 -8.154 4.729 1.392 1.00 22.03 O HETATM 1959 O HOH 108 -13.959 -21.724 12.201 1.00 51.87 O HETATM 1960 O HOH 109 4.985 -33.317 -12.434 1.00 48.33 O HETATM 1961 O HOH 110 -14.423 -32.299 -1.596 1.00 41.84 O HETATM 1962 O HOH 111 18.581 -27.972 1.329 1.00 42.64 O HETATM 1963 O HOH 112 -15.322 -29.782 -1.172 1.00 50.12 O HETATM 1964 O HOH 113 5.558 -22.757 10.808 1.00 39.94 O HETATM 1965 O HOH 114 20.115 -16.392 0.884 1.00 51.02 O HETATM 1966 O HOH 115 2.512 -0.580 4.752 1.00 39.05 O HETATM 1967 O HOH 116 -16.548 -27.197 -1.226 1.00 45.40 O HETATM 1968 O HOH 117 10.047 -5.655 4.598 1.00 47.54 O HETATM 1969 O HOH 118 9.750 -35.502 -4.421 1.00 50.58 O HETATM 1970 O HOH 119 1.734 -39.497 -9.400 1.00 44.51 O HETATM 1971 O HOH 120 -15.704 -18.827 1.435 1.00 47.61 O HETATM 1972 O HOH 121 6.629 -35.900 5.726 1.00 43.04 O HETATM 1973 O HOH 122 -19.243 -16.543 3.804 1.00 47.07 O HETATM 1974 O HOH 123 -16.439 -13.494 -1.524 1.00 47.79 O HETATM 1975 O HOH 124 1.076 -36.352 -6.704 1.00 50.21 O HETATM 1976 O HOH 125 -10.427 3.106 -6.999 1.00 46.55 O HETATM 1977 O HOH 126 -20.141 -17.290 -2.931 1.00 49.63 O HETATM 1978 O HOH 127 -5.586 1.760 -10.062 1.00 54.12 O HETATM 1979 O HOH 128 3.069 -15.507 9.911 1.00 46.66 O HETATM 1980 O HOH 129 3.328 -0.776 9.994 1.00 49.22 O HETATM 1981 O HOH 130 1.580 1.727 8.412 1.00 43.60 O HETATM 1982 O HOH 131 -1.625 -14.797 13.509 1.00 45.09 O HETATM 1983 O HOH 132 -8.781 6.533 -5.539 1.00 45.28 O HETATM 1984 O HOH 133 9.877 -23.372 -15.432 1.00 53.41 O HETATM 1985 O HOH 134 -4.027 -39.353 -4.906 1.00 50.13 O HETATM 1986 O HOH 135 -14.768 -3.189 6.192 1.00 20.37 O HETATM 1987 O HOH 136 6.165 -26.254 -5.416 1.00 24.24 O HETATM 1988 O HOH 137 -2.340 -5.879 -2.481 1.00 21.00 O HETATM 1989 O HOH 138 -2.339 -1.108 6.120 1.00 25.60 O HETATM 1990 O HOH 139 0.820 -17.182 2.939 1.00 23.92 O HETATM 1991 O HOH 140 8.900 -29.342 -4.434 1.00 27.54 O HETATM 1992 O HOH 141 1.055 -25.418 -5.620 1.00 23.53 O HETATM 1993 O HOH 142 9.748 -25.798 -6.946 1.00 28.52 O HETATM 1994 O HOH 143 3.487 -17.163 -9.749 1.00 23.73 O HETATM 1995 O HOH 144 -11.967 -26.828 -7.733 1.00 27.70 O HETATM 1996 O HOH 145 2.830 -17.729 6.863 1.00 29.42 O HETATM 1997 O HOH 146 7.052 -25.092 -10.093 1.00 26.09 O HETATM 1998 O HOH 147 10.464 -6.094 -1.809 1.00 29.99 O HETATM 1999 O HOH 148 -16.993 -7.302 1.336 1.00 28.43 O HETATM 2000 O HOH 149 -6.545 -20.447 3.651 1.00 45.98 O HETATM 2001 O HOH 150 6.102 -6.591 3.451 1.00 37.06 O HETATM 2002 O HOH 151 -9.697 -25.701 3.238 1.00 27.80 O HETATM 2003 O HOH 152 5.813 -18.582 -9.040 1.00 25.69 O HETATM 2004 O HOH 153 -1.835 -31.930 -1.079 1.00 33.90 O HETATM 2005 O HOH 154 6.558 -18.986 -6.416 1.00 25.13 O HETATM 2006 O HOH 155 -16.314 -3.425 -8.518 1.00 34.92 O HETATM 2007 O HOH 156 0.062 -5.644 -0.100 1.00 25.39 O HETATM 2008 O HOH 157 -6.914 -14.293 -12.730 1.00 30.55 O HETATM 2009 O HOH 158 4.215 -23.940 7.152 1.00 29.43 O HETATM 2010 O HOH 159 -14.431 -6.195 -2.150 1.00 31.37 O HETATM 2011 O HOH 160 -15.601 -10.210 8.683 1.00 30.83 O HETATM 2012 O HOH 161 9.149 -18.812 -6.906 1.00 38.62 O HETATM 2013 O HOH 162 0.185 -18.715 5.055 1.00 44.25 O HETATM 2014 O HOH 163 -8.093 -10.537 -13.999 1.00 38.19 O HETATM 2015 O HOH 164 -6.457 -31.494 -1.362 1.00 47.11 O HETATM 2016 O HOH 165 -6.486 -14.950 5.066 1.00 31.29 O HETATM 2017 O HOH 166 17.289 -11.526 2.483 1.00 40.57 O HETATM 2018 O HOH 167 -9.124 -21.403 5.296 1.00 35.31 O HETATM 2019 O HOH 168 -11.797 -6.874 -3.762 1.00 34.97 O HETATM 2020 O HOH 169 -13.898 -17.536 -2.355 1.00 27.40 O HETATM 2021 O HOH 170 -10.824 -27.977 4.287 1.00 34.53 O HETATM 2022 O HOH 171 12.889 -26.829 -4.359 1.00 41.14 O HETATM 2023 O HOH 172 7.086 -32.274 6.097 1.00 34.51 O HETATM 2024 O HOH 173 -10.413 -17.911 -19.448 1.00 40.86 O HETATM 2025 O HOH 174 -10.164 -24.980 0.450 1.00 28.22 O HETATM 2026 O HOH 175 -16.564 -15.434 -6.018 1.00 40.53 O HETATM 2027 O HOH 176 13.415 -20.903 -2.070 1.00 29.14 O HETATM 2028 O HOH 177 -18.401 -6.462 -11.037 1.00 34.05 O HETATM 2029 O HOH 178 7.255 -18.456 12.908 1.00 49.85 O HETATM 2030 O HOH 179 -8.060 -4.595 -7.758 1.00 36.15 O HETATM 2031 O HOH 180 14.708 -23.504 5.095 1.00 38.69 O HETATM 2032 O HOH 181 -6.943 -32.583 -5.424 1.00 44.47 O HETATM 2033 O HOH 182 14.417 -27.193 -0.604 1.00 36.93 O HETATM 2034 O HOH 183 -6.035 0.509 3.305 1.00 36.25 O HETATM 2035 O HOH 184 -5.261 -10.796 -13.818 1.00 51.00 O HETATM 2036 O HOH 185 14.016 -31.092 4.504 1.00 46.39 O HETATM 2037 O HOH 186 17.103 -17.439 1.453 1.00 48.80 O HETATM 2038 O HOH 187 -16.629 -18.148 -14.787 1.00 43.78 O HETATM 2039 O HOH 188 15.211 -24.534 1.956 1.00 50.50 O HETATM 2040 O HOH 189 -16.377 -22.197 -5.843 1.00 41.13 O HETATM 2041 O HOH 190 -17.163 -15.145 1.932 1.00 43.85 O HETATM 2042 O HOH 191 10.006 -20.568 11.809 1.00 46.19 O HETATM 2043 O HOH 192 -4.110 -35.635 -3.063 1.00 46.91 O HETATM 2044 O HOH 193 2.616 -32.181 -7.879 1.00 38.99 O HETATM 2045 O HOH 194 -16.431 -11.369 10.902 1.00 44.69 O HETATM 2046 O HOH 195 15.095 -10.987 -0.093 1.00 40.28 O HETATM 2047 O HOH 196 21.158 -12.633 8.520 1.00 48.75 O HETATM 2048 O HOH 197 -1.396 -36.109 1.845 1.00 39.80 O HETATM 2049 O HOH 198 -18.054 -15.238 -10.514 1.00 41.76 O HETATM 2050 O HOH 199 7.530 -25.066 9.015 1.00 41.05 O HETATM 2051 O HOH 200 11.488 -14.616 6.863 1.00 36.04 O HETATM 2052 O HOH 201 -18.394 -9.126 2.706 1.00 50.52 O HETATM 2053 O HOH 202 -12.639 5.480 -4.541 1.00 50.39 O HETATM 2054 O HOH 203 -5.211 -9.040 13.048 1.00 45.73 O HETATM 2055 O HOH 204 -8.836 -31.583 -2.851 1.00 46.69 O HETATM 2056 O HOH 205 -14.888 -7.685 -15.768 1.00 46.51 O HETATM 2057 O HOH 206 5.537 -16.900 -12.859 1.00 34.41 O HETATM 2058 O HOH 207 -21.378 -8.175 1.307 1.00 38.01 O HETATM 2059 O HOH 208 8.832 -20.312 9.283 1.00 39.49 O HETATM 2060 O HOH 209 14.726 -24.046 -1.306 1.00 39.15 O HETATM 2061 O HOH 210 -17.309 -15.521 -17.077 1.00 49.14 O HETATM 2062 O HOH 211 -19.328 -1.144 -5.240 1.00 47.81 O HETATM 2063 O HOH 212 -1.956 -16.043 10.394 1.00 48.00 O HETATM 2064 O HOH 213 -9.878 -5.267 -10.063 1.00 46.46 O HETATM 2065 O HOH 214 -1.862 -27.807 -15.041 1.00 45.69 O HETATM 2066 O HOH 215 16.348 -27.335 5.595 1.00 50.78 O HETATM 2067 O HOH 216 -16.359 -5.713 5.917 1.00 32.85 O HETATM 2068 O HOH 217 -12.197 -16.659 7.599 1.00 38.67 O HETATM 2069 O HOH 218 -20.164 -10.904 2.384 1.00 46.70 O HETATM 2070 O HOH 219 -2.658 -27.389 8.980 1.00 49.24 O HETATM 2071 O HOH 220 -17.867 -19.208 -18.310 1.00 50.14 O HETATM 2072 O HOH 221 -3.284 -11.558 -12.465 1.00 28.20 O HETATM 2073 O HOH 222 -4.792 0.629 5.859 1.00 30.34 O HETATM 2074 O HOH 223 -15.916 -8.793 6.335 1.00 33.19 O HETATM 2075 O HOH 224 13.569 -24.560 -5.608 1.00 40.57 O HETATM 2076 O HOH 225 -10.948 -23.566 4.306 1.00 30.63 O HETATM 2077 O HOH 226 -12.506 -24.316 6.652 1.00 44.88 O HETATM 2078 O HOH 227 -3.271 -3.862 -4.535 1.00 32.60 O HETATM 2079 O HOH 228 -10.576 -4.163 -5.932 1.00 35.15 O HETATM 2080 O HOH 229 -8.391 -6.494 -12.077 1.00 35.69 O HETATM 2081 O HOH 230 18.840 -13.948 1.449 1.00 45.27 O HETATM 2082 O HOH 231 -5.853 5.718 -0.169 1.00 37.47 O HETATM 2083 O HOH 232 -16.234 -16.579 -1.080 1.00 39.10 O HETATM 2084 O HOH 233 -12.779 -24.324 0.623 1.00 37.02 O HETATM 2085 O HOH 234 7.961 -34.316 7.625 1.00 43.78 O HETATM 2086 O HOH 235 6.690 -14.767 6.677 1.00 42.45 O HETATM 2087 O HOH 236 9.994 -12.136 5.982 1.00 40.81 O HETATM 2088 O HOH 237 16.269 -18.252 12.546 1.00 44.94 O HETATM 2089 O HOH 238 -5.633 -11.790 14.248 1.00 41.65 O HETATM 2090 O HOH 239 -11.928 -33.529 -5.276 1.00 48.95 O HETATM 2091 O HOH 240 -17.863 -20.012 -15.883 1.00 47.94 O HETATM 2092 O HOH 241 -19.305 -10.906 -7.015 1.00 35.49 O HETATM 2093 O HOH 242 11.137 -27.822 -6.382 1.00 46.57 O HETATM 2094 C IMN A 243 0.745 -11.434 8.407 1.00 0.08 C HETATM 2095 C1 IMN A 243 1.251 -12.614 7.669 1.00 -0.04 C HETATM 2096 C2 IMN A 243 2.583 -12.684 7.307 1.00 -0.06 C HETATM 2097 C3 IMN A 243 3.467 -11.651 7.611 1.00 0.07 C HETATM 2098 C4 IMN A 243 3.002 -10.544 8.318 1.00 -0.05 C HETATM 2099 C5 IMN A 243 1.663 -10.435 8.702 1.00 -0.05 C HETATM 2100 H3 IMN A 243 1.335 -9.553 9.241 1.00 0.05 H HETATM 2101 H2 IMN A 243 3.694 -9.750 8.576 1.00 0.04 H HETATM 2102 O IMN A 243 4.761 -11.732 7.246 1.00 -0.33 O HETATM 2103 C6 IMN A 243 5.430 -10.700 6.490 1.00 0.06 C HETATM 2104 H4 IMN A 243 6.476 -10.993 6.315 1.00 0.06 H HETATM 2105 H5 IMN A 243 5.403 -9.756 7.054 1.00 0.06 H HETATM 2106 H6 IMN A 243 4.921 -10.565 5.524 1.00 0.06 H HETATM 2107 H1 IMN A 243 2.946 -13.557 6.778 1.00 0.04 H HETATM 2108 C7 IMN A 243 0.117 -13.531 7.444 1.00 -0.04 C HETATM 2109 C8 IMN A 243 -1.029 -12.826 8.100 1.00 0.06 C HETATM 2110 C16 IMN A 243 -2.432 -13.302 8.273 1.00 -0.01 C HETATM 2111 H11 IMN A 243 -2.555 -14.272 7.769 1.00 0.04 H HETATM 2112 H12 IMN A 243 -3.125 -12.569 7.833 1.00 0.04 H HETATM 2113 H13 IMN A 243 -2.651 -13.416 9.345 1.00 0.04 H HETATM 2114 N IMN A 243 -0.562 -11.670 8.601 1.00 -0.18 N HETATM 2115 C9 IMN A 243 -1.504 -10.893 9.238 1.00 0.27 C HETATM 2116 C10 IMN A 243 -1.423 -9.547 9.922 1.00 0.07 C HETATM 2117 C11 IMN A 243 -2.614 -9.063 10.461 1.00 -0.04 C HETATM 2118 C12 IMN A 243 -2.664 -7.838 11.111 1.00 -0.04 C HETATM 2119 C13 IMN A 243 -1.525 -7.072 11.243 1.00 0.05 C HETATM 2120 C14 IMN A 243 -0.333 -7.536 10.708 1.00 -0.04 C HETATM 2121 C15 IMN A 243 -0.285 -8.764 10.054 1.00 -0.04 C HETATM 2122 H10 IMN A 243 0.655 -9.114 9.642 1.00 0.07 H HETATM 2123 H9 IMN A 243 0.567 -6.939 10.800 1.00 0.06 H HETATM 2124 CL IMN A 243 -1.648 -5.506 12.109 1.00 -0.07 CL HETATM 2125 H8 IMN A 243 -3.604 -7.481 11.517 1.00 0.06 H HETATM 2126 H7 IMN A 243 -3.518 -9.655 10.371 1.00 0.07 H HETATM 2127 O1 IMN A 243 -2.613 -11.385 9.247 1.00 -0.35 O HETATM 2128 C17 IMN A 243 0.326 -14.888 6.807 1.00 0.01 C HETATM 2129 C18 IMN A 243 -0.790 -15.820 6.445 1.00 0.04 C HETATM 2130 O2 IMN A 243 -1.630 -16.219 7.241 1.00 -0.57 O HETATM 2131 O3 IMN A 243 -0.781 -16.281 5.212 1.00 -0.57 O HETATM 2132 H14 IMN A 243 0.970 -15.448 7.501 1.00 0.05 H HETATM 2133 H15 IMN A 243 0.873 -14.698 5.871 1.00 0.05 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 393 392 1750 CONECT 424 423 640 CONECT 630 629 1399 CONECT 640 424 639 CONECT 714 713 1845 CONECT 724 723 1306 CONECT 821 820 1199 CONECT 1120 1119 1281 CONECT 1199 821 1198 CONECT 1281 1120 1280 CONECT 1306 724 1305 CONECT 1399 630 1398 CONECT 1750 393 1749 CONECT 1845 714 1844 CONECT 2094 2095 2099 2114 CONECT 2095 2094 2096 2108 CONECT 2096 2095 2097 2107 CONECT 2097 2096 2098 2102 CONECT 2098 2097 2099 2101 CONECT 2099 2094 2098 2100 CONECT 2100 2099 CONECT 2101 2098 CONECT 2102 2097 2103 CONECT 2103 2102 2104 2105 2106 CONECT 2104 2103 CONECT 2105 2103 CONECT 2106 2103 CONECT 2107 2096 CONECT 2108 2095 2109 2128 CONECT 2109 2108 2110 2114 CONECT 2110 2109 2111 2112 2113 CONECT 2111 2110 CONECT 2112 2110 CONECT 2113 2110 CONECT 2114 2094 2109 2115 CONECT 2115 2114 2116 2127 CONECT 2116 2115 2117 2121 CONECT 2117 2116 2118 2126 CONECT 2118 2117 2119 2125 CONECT 2119 2118 2120 2124 CONECT 2120 2119 2121 2123 CONECT 2121 2116 2120 2122 CONECT 2122 2121 CONECT 2123 2120 CONECT 2124 2119 CONECT 2125 2118 CONECT 2126 2117 CONECT 2127 2115 CONECT 2128 2108 2129 2132 2133 CONECT 2129 2128 2130 2131 CONECT 2130 2129 CONECT 2131 2129 CONECT 2132 2128 CONECT 2133 2128 MASTER 0 0 0 0 0 0 0 0 2132 1 58 10 END
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Related entries of code: 3h1x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1fv0
RCSB PDB
PDBbind
121aa, >1FV0_1|Chains... *
1jq8
RCSB PDB
PDBbind
121aa, >1JQ8_1|Chains... at 100%
1jq9
RCSB PDB
PDBbind
121aa, >1JQ9_1|Chains... at 100%
1kpm
RCSB PDB
PDBbind
121aa, >1KPM_1|Chains... at 100%
1q7a
RCSB PDB
PDBbind
121aa, >1Q7A_1|Chain... at 100%
1sv3
RCSB PDB
PDBbind
121aa, >1SV3_1|Chain... at 100%
2arm
RCSB PDB
PDBbind
121aa, >2ARM_1|Chain... at 100%
2b17
RCSB PDB
PDBbind
121aa, >2B17_1|Chain... at 100%
4qem
RCSB PDB
PDBbind
121aa, >4QEM_1|Chain... at 100%
4qer
RCSB PDB
PDBbind
121aa, >4QER_1|Chain... at 100%
4qf7
RCSB PDB
PDBbind
121aa, >4QF7_1|Chain... at 100%
4qf8
RCSB PDB
PDBbind
121aa, >4QF8_1|Chain... at 100%
4qgd
RCSB PDB
PDBbind
121aa, >4QGD_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1z9h
RCSB PDB
PDBbind
IMN
3ads
RCSB PDB
PDBbind
IMN
4kyk
RCSB PDB
PDBbind
IMN
4xum
RCSB PDB
PDBbind
IMN
Entry Information
PDB ID
3h1x
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Phospholipase A2 VRV-PL-VIIIa
Ligand Name
IMN
EC.Number
E.C.3.1.1.4
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=1.3uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) J.Mol.Recognit. Vol. 22: pp. 437-445
Ligand Properties
Formula
C
1
9
H
1
6
ClNO
4
Molecular Weight
357.788
Exact Mass
357.077
No. of atoms
41
No. of bonds
43
Polar Surface Area
68.53
LOGP Value
5.45 (
Computed with XLOGP3
)
3.93 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C
InChI String
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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):
P59071
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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