Browse entries in the PDBbind-CN Database
HEADER 5HWV_COMPLEX COMPND 5HWV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 ALA LEU TYR GLU PHE VAL GLY LEU LEU ASP ALA HIS GLY SEQRES 2 A 124 ASN VAL LEU GLU VAL ASN GLN VAL ALA LEU GLU GLY GLY SEQRES 3 A 124 GLY ILE THR MSE GLU GLU ILE ARG GLY LYS PRO PHE TRP SEQRES 4 A 124 LYS ALA ARG TRP TRP GLN ILE SER LYS LYS THR GLU ALA SEQRES 5 A 124 THR GLN LYS ARG LEU VAL GLU THR ALA SER SER GLY GLU SEQRES 6 A 124 PHE VAL ARG CYS ASP VAL GLU ILE LEU GLY LYS SER GLY SEQRES 7 A 124 GLY ARG GLU VAL ILE ALA VAL ASP PHE SER LEU LEU PRO SEQRES 8 A 124 ILE CYS ASN GLU GLU GLY SER ILE VAL TYR LEU LEU ALA SEQRES 9 A 124 GLU GLY ARG ASN ILE THR ASP LYS LYS LYS ALA GLU ALA SEQRES 10 A 124 MSE LEU ALA LEU LYS ASN GLN SEQRES 1 B 125 LEU TYR GLU PHE VAL GLY LEU LEU ASP ALA HIS GLY ASN SEQRES 2 B 125 VAL LEU GLU VAL ASN GLN VAL ALA LEU GLU GLY GLY GLY SEQRES 3 B 125 ILE THR MSE GLU GLU ILE ARG GLY LYS PRO PHE TRP LYS SEQRES 4 B 125 ALA ARG TRP TRP GLN ILE SER LYS LYS THR GLU ALA THR SEQRES 5 B 125 GLN LYS ARG LEU VAL GLU THR ALA SER SER GLY GLU PHE SEQRES 6 B 125 VAL ARG CYS ASP VAL GLU ILE LEU GLY LYS SER GLY GLY SEQRES 7 B 125 ARG GLU VAL ILE ALA VAL ASP PHE SER LEU LEU PRO ILE SEQRES 8 B 125 CYS ASN GLU GLU GLY SER ILE VAL TYR LEU LEU ALA GLU SEQRES 9 B 125 GLY ARG ASN ILE THR ASP LYS LYS LYS ALA GLU ALA MSE SEQRES 10 B 125 LEU ALA LEU LYS ASN GLN GLU LEU HET MSE A 71 9 HET MSE A 159 9 HET MSE B 71 9 HET MSE B 159 9 HET MBN A 558 15 ATOM 1 N ALA A 42 -11.318 -9.507 -30.781 1.00 51.65 N ATOM 2 CA ALA A 42 -9.808 -9.584 -30.845 1.00 38.69 C ATOM 3 C ALA A 42 -9.174 -8.732 -29.754 1.00 34.17 C ATOM 4 O ALA A 42 -9.817 -7.835 -29.219 1.00 46.94 O ATOM 5 CB ALA A 42 -9.311 -9.129 -32.222 1.00 37.31 C ATOM 6 HN3 ALA A 42 -11.619 -8.520 -30.909 1.00 0.00 H ATOM 7 HN2 ALA A 42 -11.643 -9.852 -29.855 1.00 0.00 H ATOM 8 HN1 ALA A 42 -11.726 -10.096 -31.535 1.00 0.00 H ATOM 9 N LEU A 43 -7.942 -9.013 -29.383 1.00 24.79 N ATOM 10 CA LEU A 43 -7.255 -8.151 -28.328 1.00 20.87 C ATOM 11 C LEU A 43 -6.747 -6.860 -28.981 1.00 24.20 C ATOM 12 O LEU A 43 -6.179 -6.897 -30.079 1.00 25.48 O ATOM 13 CB LEU A 43 -6.055 -8.833 -27.691 1.00 21.90 C ATOM 14 CG LEU A 43 -5.245 -8.149 -26.546 1.00 16.97 C ATOM 15 CD1 LEU A 43 -6.158 -7.970 -25.311 1.00 16.88 C ATOM 16 CD2 LEU A 43 -4.077 -9.056 -26.174 1.00 21.98 C ATOM 17 H LEU A 43 -7.440 -9.819 -29.807 1.00 0.00 H ATOM 18 N TYR A 44 -6.864 -5.748 -28.263 1.00 18.87 N ATOM 19 CA TYR A 44 -6.443 -4.478 -28.803 1.00 14.48 C ATOM 20 C TYR A 44 -4.962 -4.423 -29.124 1.00 16.98 C ATOM 21 O TYR A 44 -4.121 -5.259 -28.648 1.00 16.91 O ATOM 22 CB TYR A 44 -6.692 -3.352 -27.778 1.00 15.23 C ATOM 23 CG TYR A 44 -5.926 -3.558 -26.484 1.00 13.45 C ATOM 24 CD1 TYR A 44 -4.550 -3.216 -26.404 1.00 13.83 C ATOM 25 CD2 TYR A 44 -6.535 -4.137 -25.357 1.00 12.66 C ATOM 26 CE1 TYR A 44 -3.857 -3.426 -25.219 1.00 13.60 C ATOM 27 CE2 TYR A 44 -5.835 -4.315 -24.182 1.00 14.15 C ATOM 28 CZ TYR A 44 -4.516 -3.947 -24.138 1.00 14.99 C ATOM 29 OH TYR A 44 -3.745 -4.162 -22.990 1.00 18.99 O ATOM 30 HH TYR A 44 -2.824 -3.834 -23.146 1.00 0.00 H ATOM 31 H TYR A 44 -7.263 -5.794 -27.303 1.00 0.00 H ATOM 32 N GLU A 45 -4.637 -3.429 -29.921 1.00 16.61 N ATOM 33 CA GLU A 45 -3.270 -3.007 -30.157 1.00 15.20 C ATOM 34 C GLU A 45 -2.988 -1.698 -29.386 1.00 14.77 C ATOM 35 O GLU A 45 -1.956 -1.535 -28.741 1.00 15.46 O ATOM 36 CB GLU A 45 -3.125 -2.841 -31.661 1.00 16.47 C ATOM 37 CG GLU A 45 -1.839 -2.180 -32.086 1.00 19.77 C ATOM 38 CD GLU A 45 -1.766 -2.137 -33.596 1.00 28.23 C ATOM 39 OE1 GLU A 45 -2.775 -2.536 -34.267 1.00 25.07 O ATOM 40 OE2 GLU A 45 -0.682 -1.721 -34.081 1.00 27.64 O ATOM 41 H GLU A 45 -5.401 -2.918 -30.408 1.00 0.00 H ATOM 42 N PHE A 46 -3.902 -0.734 -29.469 1.00 13.56 N ATOM 43 CA PHE A 46 -3.815 0.533 -28.721 1.00 12.74 C ATOM 44 C PHE A 46 -4.854 0.468 -27.607 1.00 13.47 C ATOM 45 O PHE A 46 -5.971 -0.019 -27.828 1.00 12.03 O ATOM 46 CB PHE A 46 -4.219 1.709 -29.658 1.00 11.56 C ATOM 47 CG PHE A 46 -3.499 1.696 -30.993 1.00 18.31 C ATOM 48 CD1 PHE A 46 -2.145 1.816 -31.027 1.00 16.70 C ATOM 49 CD2 PHE A 46 -4.210 1.492 -32.190 1.00 23.23 C ATOM 50 CE1 PHE A 46 -1.454 1.852 -32.226 1.00 21.45 C ATOM 51 CE2 PHE A 46 -3.533 1.482 -33.440 1.00 24.96 C ATOM 52 CZ PHE A 46 -2.148 1.635 -33.431 1.00 23.88 C ATOM 53 H PHE A 46 -4.720 -0.882 -30.094 1.00 0.00 H ATOM 54 N VAL A 47 -4.494 0.881 -26.401 1.00 12.88 N ATOM 55 CA VAL A 47 -5.496 0.986 -25.343 1.00 14.48 C ATOM 56 C VAL A 47 -5.245 2.190 -24.437 1.00 11.62 C ATOM 57 O VAL A 47 -4.103 2.652 -24.239 1.00 10.97 O ATOM 58 CB VAL A 47 -5.531 -0.313 -24.483 1.00 14.70 C ATOM 59 CG1 VAL A 47 -4.145 -0.512 -23.790 1.00 12.81 C ATOM 60 CG2 VAL A 47 -6.712 -0.271 -23.481 1.00 12.48 C ATOM 61 H VAL A 47 -3.503 1.129 -26.208 1.00 0.00 H ATOM 62 N GLY A 48 -6.348 2.745 -23.967 1.00 10.74 N ATOM 63 CA GLY A 48 -6.329 3.941 -23.125 1.00 11.13 C ATOM 64 C GLY A 48 -7.428 3.811 -22.077 1.00 12.17 C ATOM 65 O GLY A 48 -8.556 3.337 -22.327 1.00 13.23 O ATOM 66 H GLY A 48 -7.265 2.315 -24.205 1.00 0.00 H ATOM 67 N LEU A 49 -7.080 4.297 -20.911 1.00 10.68 N ATOM 68 CA LEU A 49 -8.056 4.516 -19.854 1.00 9.11 C ATOM 69 C LEU A 49 -8.414 5.994 -19.697 1.00 8.83 C ATOM 70 O LEU A 49 -7.456 6.793 -19.538 1.00 10.17 O ATOM 71 CB LEU A 49 -7.496 4.005 -18.505 1.00 8.93 C ATOM 72 CG LEU A 49 -8.493 4.034 -17.318 1.00 9.98 C ATOM 73 CD1 LEU A 49 -9.565 2.934 -17.472 1.00 13.62 C ATOM 74 CD2 LEU A 49 -7.722 3.772 -15.991 1.00 11.12 C ATOM 75 H LEU A 49 -6.082 4.532 -20.737 1.00 0.00 H ATOM 76 N LEU A 50 -9.702 6.309 -19.778 1.00 8.92 N ATOM 77 CA LEU A 50 -10.202 7.684 -19.619 1.00 10.51 C ATOM 78 C LEU A 50 -11.015 7.789 -18.393 1.00 11.94 C ATOM 79 O LEU A 50 -11.599 6.797 -17.919 1.00 12.96 O ATOM 80 CB LEU A 50 -11.018 8.107 -20.851 1.00 10.45 C ATOM 81 CG LEU A 50 -10.514 7.739 -22.229 1.00 11.06 C ATOM 82 CD1 LEU A 50 -11.490 8.224 -23.318 1.00 11.65 C ATOM 83 CD2 LEU A 50 -9.108 8.297 -22.471 1.00 13.40 C ATOM 84 H LEU A 50 -10.388 5.549 -19.962 1.00 0.00 H ATOM 85 N ASP A 51 -11.087 8.969 -17.823 1.00 11.76 N ATOM 86 CA ASP A 51 -12.104 9.163 -16.822 1.00 15.11 C ATOM 87 C ASP A 51 -13.533 9.288 -17.374 1.00 14.74 C ATOM 88 O ASP A 51 -13.726 9.206 -18.619 1.00 13.33 O ATOM 89 CB ASP A 51 -11.675 10.296 -15.887 1.00 14.62 C ATOM 90 CG ASP A 51 -11.914 11.673 -16.466 1.00 17.63 C ATOM 91 OD1 ASP A 51 -12.517 11.813 -17.557 1.00 15.24 O ATOM 92 OD2 ASP A 51 -11.399 12.645 -15.808 1.00 21.69 O ATOM 93 H ASP A 51 -10.434 9.735 -18.084 1.00 0.00 H ATOM 94 N ALA A 52 -14.517 9.493 -16.462 1.00 14.47 N ATOM 95 CA ALA A 52 -15.958 9.498 -16.841 1.00 18.80 C ATOM 96 C ALA A 52 -16.294 10.557 -17.885 1.00 17.95 C ATOM 97 O ALA A 52 -17.266 10.440 -18.642 1.00 24.61 O ATOM 98 CB ALA A 52 -16.813 9.665 -15.605 1.00 25.09 C ATOM 99 H ALA A 52 -14.257 9.652 -15.468 1.00 0.00 H ATOM 100 N HIS A 53 -15.463 11.614 -17.924 1.00 18.61 N ATOM 101 CA HIS A 53 -15.603 12.791 -18.838 1.00 18.56 C ATOM 102 C HIS A 53 -14.736 12.717 -20.073 1.00 16.34 C ATOM 103 O HIS A 53 -14.737 13.652 -20.859 1.00 18.81 O ATOM 104 CB HIS A 53 -15.219 14.095 -18.079 1.00 18.44 C ATOM 105 CG HIS A 53 -15.986 14.266 -16.804 1.00 32.23 C ATOM 106 ND1 HIS A 53 -15.375 14.340 -15.566 1.00 42.18 N ATOM 107 CD2 HIS A 53 -17.320 14.245 -16.569 1.00 29.44 C ATOM 108 CE1 HIS A 53 -16.306 14.417 -14.629 1.00 34.63 C ATOM 109 NE2 HIS A 53 -17.493 14.368 -15.213 1.00 34.50 N ATOM 110 H HIS A 53 -14.658 11.613 -17.266 1.00 0.00 H ATOM 111 N GLY A 54 -13.952 11.642 -20.182 1.00 13.55 N ATOM 112 CA GLY A 54 -13.113 11.432 -21.373 1.00 12.85 C ATOM 113 C GLY A 54 -11.699 12.037 -21.202 1.00 13.02 C ATOM 114 O GLY A 54 -10.919 12.011 -22.175 1.00 13.42 O ATOM 115 H GLY A 54 -13.934 10.942 -19.413 1.00 0.00 H ATOM 116 N ASN A 55 -11.284 12.445 -19.991 1.00 11.72 N ATOM 117 CA ASN A 55 -9.902 12.970 -19.870 1.00 11.42 C ATOM 118 C ASN A 55 -8.956 11.809 -19.745 1.00 12.01 C ATOM 119 O ASN A 55 -9.323 10.766 -19.166 1.00 12.68 O ATOM 120 CB ASN A 55 -9.776 13.755 -18.553 1.00 13.89 C ATOM 121 CG ASN A 55 -10.694 14.981 -18.524 1.00 15.72 C ATOM 122 OD1 ASN A 55 -11.489 15.158 -17.571 1.00 24.40 O ATOM 123 ND2 ASN A 55 -10.674 15.733 -19.560 1.00 13.41 N ATOM 124 HD22 ASN A 55 -9.995 15.546 -20.325 1.00 0.00 H ATOM 125 HD21 ASN A 55 -11.337 16.531 -19.636 1.00 0.00 H ATOM 126 H ASN A 55 -11.912 12.394 -19.164 1.00 0.00 H ATOM 127 N VAL A 56 -7.780 11.933 -20.338 1.00 9.44 N ATOM 128 CA VAL A 56 -6.862 10.796 -20.430 1.00 11.09 C ATOM 129 C VAL A 56 -6.218 10.464 -19.090 1.00 11.22 C ATOM 130 O VAL A 56 -5.635 11.306 -18.474 1.00 13.41 O ATOM 131 CB VAL A 56 -5.772 11.053 -21.526 1.00 12.03 C ATOM 132 CG1 VAL A 56 -4.745 9.895 -21.551 1.00 14.88 C ATOM 133 CG2 VAL A 56 -6.397 11.237 -22.901 1.00 11.04 C ATOM 134 H VAL A 56 -7.504 12.850 -20.744 1.00 0.00 H ATOM 135 N LEU A 57 -6.278 9.205 -18.637 1.00 11.93 N ATOM 136 CA LEU A 57 -5.541 8.762 -17.455 1.00 11.03 C ATOM 137 C LEU A 57 -4.299 7.883 -17.774 1.00 12.33 C ATOM 138 O LEU A 57 -3.241 8.099 -17.198 1.00 13.18 O ATOM 139 CB LEU A 57 -6.507 7.968 -16.554 1.00 10.62 C ATOM 140 CG LEU A 57 -7.768 8.773 -16.183 1.00 13.03 C ATOM 141 CD1 LEU A 57 -8.689 7.839 -15.416 1.00 13.02 C ATOM 142 CD2 LEU A 57 -7.403 10.009 -15.360 1.00 21.57 C ATOM 143 H LEU A 57 -6.871 8.518 -19.145 1.00 0.00 H ATOM 144 N GLU A 58 -4.408 6.892 -18.682 1.00 10.95 N ATOM 145 CA GLU A 58 -3.272 5.992 -19.019 1.00 10.51 C ATOM 146 C GLU A 58 -3.424 5.593 -20.505 1.00 10.45 C ATOM 147 O GLU A 58 -4.537 5.518 -21.032 1.00 11.19 O ATOM 148 CB GLU A 58 -3.370 4.645 -18.176 1.00 11.81 C ATOM 149 CG GLU A 58 -3.436 4.689 -16.673 1.00 12.04 C ATOM 150 CD GLU A 58 -2.211 5.394 -16.069 1.00 14.92 C ATOM 151 OE1 GLU A 58 -1.134 5.314 -16.672 1.00 20.66 O ATOM 152 OE2 GLU A 58 -2.306 5.907 -14.950 1.00 16.77 O ATOM 153 H GLU A 58 -5.319 6.752 -19.164 1.00 0.00 H ATOM 154 N VAL A 59 -2.281 5.423 -21.206 1.00 10.87 N ATOM 155 CA VAL A 59 -2.289 4.977 -22.593 1.00 8.90 C ATOM 156 C VAL A 59 -1.075 4.050 -22.747 1.00 10.58 C ATOM 157 O VAL A 59 0.002 4.278 -22.126 1.00 14.69 O ATOM 158 CB VAL A 59 -2.146 6.135 -23.548 1.00 11.14 C ATOM 159 CG1 VAL A 59 -2.022 5.631 -24.995 1.00 11.41 C ATOM 160 CG2 VAL A 59 -3.324 7.078 -23.402 1.00 12.60 C ATOM 161 H VAL A 59 -1.370 5.616 -20.742 1.00 0.00 H ATOM 162 N ASN A 60 -1.203 2.974 -23.526 1.00 10.25 N ATOM 163 CA ASN A 60 -0.074 2.105 -23.680 1.00 11.57 C ATOM 164 C ASN A 60 0.995 2.685 -24.586 1.00 14.54 C ATOM 165 O ASN A 60 0.743 3.566 -25.411 1.00 14.65 O ATOM 166 CB ASN A 60 -0.514 0.651 -24.108 1.00 12.61 C ATOM 167 CG ASN A 60 -1.074 0.558 -25.533 1.00 16.38 C ATOM 168 OD1 ASN A 60 -1.508 1.537 -26.129 1.00 13.81 O ATOM 169 ND2 ASN A 60 -1.092 -0.653 -26.084 1.00 17.18 N ATOM 170 HD22 ASN A 60 -0.718 -1.469 -25.559 1.00 0.00 H ATOM 171 HD21 ASN A 60 -1.480 -0.784 -27.040 1.00 0.00 H ATOM 172 H ASN A 60 -2.101 2.771 -24.010 1.00 0.00 H ATOM 173 N GLN A 61 2.190 2.144 -24.475 1.00 15.60 N ATOM 174 CA GLN A 61 3.333 2.690 -25.169 1.00 14.06 C ATOM 175 C GLN A 61 3.154 2.578 -26.708 1.00 15.02 C ATOM 176 O GLN A 61 3.539 3.485 -27.420 1.00 16.11 O ATOM 177 CB GLN A 61 4.602 1.990 -24.667 1.00 20.54 C ATOM 178 CG GLN A 61 5.888 2.468 -25.312 1.00 29.95 C ATOM 179 CD GLN A 61 6.117 3.984 -25.340 1.00 47.79 C ATOM 180 OE1 GLN A 61 5.750 4.720 -24.418 1.00 42.02 O ATOM 181 NE2 GLN A 61 6.757 4.456 -26.420 1.00 62.53 N ATOM 182 HE22 GLN A 61 7.051 3.805 -27.176 1.00 0.00 H ATOM 183 HE21 GLN A 61 6.960 5.473 -26.501 1.00 0.00 H ATOM 184 H GLN A 61 2.314 1.304 -23.874 1.00 0.00 H ATOM 185 N VAL A 62 2.491 1.524 -27.192 1.00 16.74 N ATOM 186 CA VAL A 62 2.362 1.308 -28.631 1.00 17.83 C ATOM 187 C VAL A 62 1.598 2.518 -29.202 1.00 15.19 C ATOM 188 O VAL A 62 1.952 3.060 -30.261 1.00 15.10 O ATOM 189 CB VAL A 62 1.622 -0.021 -28.874 1.00 18.66 C ATOM 190 CG1 VAL A 62 1.174 -0.148 -30.349 1.00 20.26 C ATOM 191 CG2 VAL A 62 2.610 -1.156 -28.454 1.00 25.02 C ATOM 192 H VAL A 62 2.059 0.845 -26.533 1.00 0.00 H ATOM 193 N ALA A 63 0.563 2.981 -28.484 1.00 12.06 N ATOM 194 CA ALA A 63 -0.271 4.100 -29.021 1.00 9.78 C ATOM 195 C ALA A 63 0.517 5.398 -28.917 1.00 10.47 C ATOM 196 O ALA A 63 0.463 6.236 -29.803 1.00 11.87 O ATOM 197 CB ALA A 63 -1.646 4.242 -28.314 1.00 11.23 C ATOM 198 H ALA A 63 0.342 2.563 -27.558 1.00 0.00 H ATOM 199 N LEU A 64 1.225 5.611 -27.794 1.00 12.50 N ATOM 200 CA LEU A 64 2.014 6.840 -27.661 1.00 11.67 C ATOM 201 C LEU A 64 3.120 6.965 -28.721 1.00 13.38 C ATOM 202 O LEU A 64 3.285 8.029 -29.292 1.00 14.56 O ATOM 203 CB LEU A 64 2.595 6.949 -26.245 1.00 13.92 C ATOM 204 CG LEU A 64 1.615 7.056 -25.075 1.00 13.88 C ATOM 205 CD1 LEU A 64 2.402 6.782 -23.744 1.00 15.43 C ATOM 206 CD2 LEU A 64 0.887 8.369 -25.059 1.00 11.93 C ATOM 207 H LEU A 64 1.213 4.910 -27.026 1.00 0.00 H ATOM 208 N GLU A 65 3.842 5.874 -28.981 1.00 15.21 N ATOM 209 CA GLU A 65 4.930 5.902 -29.934 1.00 15.92 C ATOM 210 C GLU A 65 4.378 6.087 -31.338 1.00 14.48 C ATOM 211 O GLU A 65 4.873 6.906 -32.094 1.00 17.08 O ATOM 212 CB GLU A 65 5.889 4.739 -29.780 1.00 22.64 C ATOM 213 CG GLU A 65 5.402 3.342 -29.983 1.00 31.81 C ATOM 214 CD GLU A 65 6.558 2.357 -29.798 1.00 48.75 C ATOM 215 OE1 GLU A 65 7.402 2.235 -30.729 1.00 45.31 O ATOM 216 OE2 GLU A 65 6.615 1.748 -28.707 1.00 60.20 O ATOM 217 H GLU A 65 3.618 4.986 -28.489 1.00 0.00 H ATOM 218 N GLY A 66 3.276 5.392 -31.652 1.00 15.40 N ATOM 219 CA GLY A 66 2.660 5.502 -32.986 1.00 13.46 C ATOM 220 C GLY A 66 2.199 6.924 -33.280 1.00 13.85 C ATOM 221 O GLY A 66 2.391 7.415 -34.395 1.00 15.12 O ATOM 222 H GLY A 66 2.848 4.764 -30.942 1.00 0.00 H ATOM 223 N GLY A 67 1.639 7.592 -32.274 1.00 12.82 N ATOM 224 CA GLY A 67 1.055 8.925 -32.439 1.00 13.88 C ATOM 225 C GLY A 67 2.135 10.018 -32.238 1.00 14.09 C ATOM 226 O GLY A 67 1.898 11.170 -32.561 1.00 16.41 O ATOM 227 H GLY A 67 1.615 7.150 -31.333 1.00 0.00 H ATOM 228 N GLY A 68 3.304 9.660 -31.737 1.00 13.64 N ATOM 229 CA GLY A 68 4.351 10.662 -31.400 1.00 16.30 C ATOM 230 C GLY A 68 3.928 11.593 -30.231 1.00 18.85 C ATOM 231 O GLY A 68 4.089 12.826 -30.286 1.00 20.97 O ATOM 232 H GLY A 68 3.497 8.651 -31.574 1.00 0.00 H ATOM 233 N ILE A 69 3.384 10.984 -29.175 1.00 14.28 N ATOM 234 CA ILE A 69 2.673 11.715 -28.136 1.00 15.42 C ATOM 235 C ILE A 69 3.323 11.312 -26.831 1.00 16.82 C ATOM 236 O ILE A 69 3.762 10.160 -26.657 1.00 18.04 O ATOM 237 CB ILE A 69 1.182 11.290 -28.084 1.00 15.52 C ATOM 238 CG1 ILE A 69 0.439 11.818 -29.311 1.00 19.88 C ATOM 239 CG2 ILE A 69 0.556 11.844 -26.818 1.00 18.19 C ATOM 240 CD1 ILE A 69 -0.890 11.158 -29.565 1.00 20.44 C ATOM 241 H ILE A 69 3.471 9.951 -29.092 1.00 0.00 H ATOM 242 N THR A 70 3.401 12.254 -25.890 1.00 18.31 N ATOM 243 CA THR A 70 3.972 11.982 -24.586 1.00 21.53 C ATOM 244 C THR A 70 2.799 11.951 -23.595 1.00 18.24 C ATOM 245 O THR A 70 1.783 12.629 -23.802 1.00 20.04 O ATOM 246 CB THR A 70 4.963 13.099 -24.167 1.00 24.54 C ATOM 247 OG1 THR A 70 4.222 14.303 -23.819 1.00 28.14 O ATOM 248 CG2 THR A 70 5.949 13.409 -25.273 1.00 25.93 C ATOM 249 HG1 THR A 70 4.857 15.014 -23.552 1.00 0.00 H ATOM 250 H THR A 70 3.043 13.208 -26.097 1.00 0.00 H HETATM 251 N MSE A 71 2.951 11.147 -22.541 1.00 21.57 N HETATM 252 CA MSE A 71 1.900 11.020 -21.535 1.00 21.90 C HETATM 253 C MSE A 71 1.650 12.392 -20.923 1.00 21.54 C HETATM 254 O MSE A 71 0.533 12.760 -20.627 1.00 19.46 O HETATM 255 CB MSE A 71 2.414 10.020 -20.531 1.00 34.41 C HETATM 256 CG MSE A 71 1.422 9.100 -19.848 1.00 32.28 C HETATM 257 SE MSE A 71 -0.105 8.432 -20.972 1.00 39.33 S HETATM 258 CE MSE A 71 -1.399 9.527 -19.947 1.00 26.20 C HETATM 259 H MSE A 71 3.831 10.603 -22.434 1.00 0.00 H ATOM 260 N GLU A 72 2.691 13.189 -20.727 1.00 20.76 N ATOM 261 CA GLU A 72 2.477 14.575 -20.167 1.00 24.64 C ATOM 262 C GLU A 72 1.684 15.524 -21.042 1.00 20.07 C ATOM 263 O GLU A 72 1.022 16.445 -20.529 1.00 26.33 O ATOM 264 CB GLU A 72 3.830 15.251 -19.830 1.00 30.84 C ATOM 265 CG GLU A 72 4.553 14.507 -18.729 1.00 28.18 C ATOM 266 CD GLU A 72 5.402 13.330 -19.228 1.00 47.09 C ATOM 267 OE1 GLU A 72 5.524 13.052 -20.449 1.00 35.98 O ATOM 268 OE2 GLU A 72 5.968 12.643 -18.366 1.00 83.72 O ATOM 269 H GLU A 72 3.651 12.861 -20.958 1.00 0.00 H ATOM 270 N GLU A 73 1.770 15.373 -22.357 1.00 22.62 N ATOM 271 CA GLU A 73 1.013 16.252 -23.283 1.00 22.68 C ATOM 272 C GLU A 73 -0.493 15.994 -23.182 1.00 18.64 C ATOM 273 O GLU A 73 -1.273 16.869 -23.536 1.00 21.42 O ATOM 274 CB GLU A 73 1.401 16.042 -24.766 1.00 27.02 C ATOM 275 CG GLU A 73 2.710 16.691 -25.150 1.00 34.69 C ATOM 276 CD GLU A 73 3.279 16.158 -26.467 1.00 34.09 C ATOM 277 OE1 GLU A 73 3.015 14.980 -26.817 1.00 29.29 O ATOM 278 OE2 GLU A 73 4.018 16.932 -27.131 1.00 40.35 O ATOM 279 H GLU A 73 2.379 14.625 -22.746 1.00 0.00 H ATOM 280 N ILE A 74 -0.877 14.796 -22.720 1.00 16.50 N ATOM 281 CA ILE A 74 -2.314 14.399 -22.806 1.00 16.43 C ATOM 282 C ILE A 74 -2.985 14.059 -21.500 1.00 15.61 C ATOM 283 O ILE A 74 -4.227 14.181 -21.403 1.00 14.41 O ATOM 284 CB ILE A 74 -2.530 13.224 -23.776 1.00 15.05 C ATOM 285 CG1 ILE A 74 -1.769 11.960 -23.349 1.00 13.80 C ATOM 286 CG2 ILE A 74 -2.085 13.682 -25.182 1.00 18.93 C ATOM 287 CD1 ILE A 74 -2.045 10.737 -24.249 1.00 14.54 C ATOM 288 H ILE A 74 -0.179 14.147 -22.304 1.00 0.00 H ATOM 289 N ARG A 75 -2.201 13.721 -20.485 1.00 14.92 N ATOM 290 CA ARG A 75 -2.794 13.328 -19.206 1.00 14.86 C ATOM 291 C ARG A 75 -3.691 14.396 -18.601 1.00 14.37 C ATOM 292 O ARG A 75 -3.311 15.594 -18.482 1.00 16.33 O ATOM 293 CB ARG A 75 -1.751 12.856 -18.161 1.00 16.46 C ATOM 294 CG ARG A 75 -2.411 12.335 -16.875 1.00 18.21 C ATOM 295 CD ARG A 75 -1.461 11.694 -15.907 1.00 23.70 C ATOM 296 NE ARG A 75 -1.276 10.286 -16.199 1.00 32.90 N ATOM 297 CZ ARG A 75 -0.092 9.723 -16.399 1.00 27.28 C ATOM 298 NH1 ARG A 75 1.006 10.459 -16.360 1.00 31.06 N ATOM 299 NH2 ARG A 75 0.010 8.436 -16.663 1.00 24.89 N ATOM 300 HE ARG A 75 -2.121 9.682 -16.255 1.00 0.00 H ATOM 301 HH12 ARG A 75 1.934 10.017 -16.517 1.00 0.00 H ATOM 302 HH11 ARG A 75 0.941 11.480 -16.172 1.00 0.00 H ATOM 303 HH22 ARG A 75 0.946 8.009 -16.817 1.00 0.00 H ATOM 304 HH21 ARG A 75 -0.845 7.847 -16.717 1.00 0.00 H ATOM 305 H ARG A 75 -1.167 13.735 -20.598 1.00 0.00 H ATOM 306 N GLY A 76 -4.890 13.953 -18.211 1.00 16.09 N ATOM 307 CA GLY A 76 -5.832 14.889 -17.580 1.00 15.79 C ATOM 308 C GLY A 76 -6.545 15.809 -18.550 1.00 14.45 C ATOM 309 O GLY A 76 -7.399 16.604 -18.100 1.00 18.47 O ATOM 310 H GLY A 76 -5.154 12.957 -18.352 1.00 0.00 H ATOM 311 N LYS A 77 -6.284 15.669 -19.879 1.00 13.22 N ATOM 312 CA LYS A 77 -6.964 16.482 -20.878 1.00 13.80 C ATOM 313 C LYS A 77 -7.823 15.614 -21.771 1.00 13.84 C ATOM 314 O LYS A 77 -7.594 14.412 -21.877 1.00 13.25 O ATOM 315 CB LYS A 77 -5.919 17.139 -21.737 1.00 16.16 C ATOM 316 CG LYS A 77 -4.925 17.927 -20.894 1.00 23.98 C ATOM 317 CD LYS A 77 -3.961 18.654 -21.785 1.00 28.13 C ATOM 318 CE LYS A 77 -2.557 18.614 -21.209 1.00 30.76 C ATOM 319 NZ LYS A 77 -2.550 19.228 -19.860 1.00 37.98 N ATOM 320 HZ1 LYS A 77 -2.866 20.216 -19.929 1.00 0.00 H ATOM 321 HZ2 LYS A 77 -3.193 18.700 -19.237 1.00 0.00 H ATOM 322 HZ3 LYS A 77 -1.586 19.197 -19.471 1.00 0.00 H ATOM 323 H LYS A 77 -5.583 14.965 -20.188 1.00 0.00 H ATOM 324 N PRO A 78 -8.830 16.204 -22.427 1.00 14.14 N ATOM 325 CA PRO A 78 -9.789 15.364 -23.155 1.00 14.93 C ATOM 326 C PRO A 78 -9.128 14.509 -24.221 1.00 12.42 C ATOM 327 O PRO A 78 -8.234 14.966 -24.987 1.00 12.14 O ATOM 328 CB PRO A 78 -10.681 16.376 -23.873 1.00 13.62 C ATOM 329 CG PRO A 78 -10.571 17.606 -23.026 1.00 17.40 C ATOM 330 CD PRO A 78 -9.151 17.621 -22.556 1.00 15.62 C ATOM 331 N PHE A 79 -9.613 13.261 -24.328 1.00 11.67 N ATOM 332 CA PHE A 79 -8.999 12.347 -25.307 1.00 11.06 C ATOM 333 C PHE A 79 -9.076 12.893 -26.754 1.00 10.51 C ATOM 334 O PHE A 79 -8.134 12.681 -27.502 1.00 10.18 O ATOM 335 CB PHE A 79 -9.735 11.024 -25.155 1.00 11.34 C ATOM 336 CG PHE A 79 -9.261 9.904 -26.028 1.00 10.68 C ATOM 337 CD1 PHE A 79 -7.912 9.455 -25.991 1.00 11.93 C ATOM 338 CD2 PHE A 79 -10.207 9.183 -26.832 1.00 11.55 C ATOM 339 CE1 PHE A 79 -7.527 8.300 -26.673 1.00 10.84 C ATOM 340 CE2 PHE A 79 -9.803 8.032 -27.582 1.00 9.92 C ATOM 341 CZ PHE A 79 -8.442 7.597 -27.504 1.00 9.92 C ATOM 342 H PHE A 79 -10.405 12.946 -23.732 1.00 0.00 H ATOM 343 N TRP A 80 -10.157 13.626 -27.105 1.00 10.23 N ATOM 344 CA TRP A 80 -10.298 14.115 -28.484 1.00 10.24 C ATOM 345 C TRP A 80 -9.341 15.212 -28.872 1.00 12.36 C ATOM 346 O TRP A 80 -9.167 15.457 -30.048 1.00 13.86 O ATOM 347 CB TRP A 80 -11.730 14.563 -28.760 1.00 10.31 C ATOM 348 CG TRP A 80 -12.204 15.667 -27.911 1.00 12.95 C ATOM 349 CD1 TRP A 80 -12.059 17.057 -28.154 1.00 16.23 C ATOM 350 CD2 TRP A 80 -12.933 15.555 -26.672 1.00 13.52 C ATOM 351 NE1 TRP A 80 -12.673 17.755 -27.178 1.00 16.96 N ATOM 352 CE2 TRP A 80 -13.254 16.887 -26.265 1.00 15.86 C ATOM 353 CE3 TRP A 80 -13.441 14.473 -25.938 1.00 14.58 C ATOM 354 CZ2 TRP A 80 -13.989 17.172 -25.086 1.00 19.19 C ATOM 355 CZ3 TRP A 80 -14.147 14.730 -24.744 1.00 15.71 C ATOM 356 CH2 TRP A 80 -14.428 16.089 -24.341 1.00 18.15 C ATOM 357 HE1 TRP A 80 -12.706 18.793 -27.118 1.00 0.00 H ATOM 358 H TRP A 80 -10.889 13.844 -26.399 1.00 0.00 H ATOM 359 N LYS A 81 -8.675 15.798 -27.859 1.00 11.02 N ATOM 360 CA LYS A 81 -7.650 16.794 -28.099 1.00 12.29 C ATOM 361 C LYS A 81 -6.323 16.185 -28.427 1.00 14.76 C ATOM 362 O LYS A 81 -5.422 16.873 -28.906 1.00 16.19 O ATOM 363 CB LYS A 81 -7.527 17.813 -26.930 1.00 15.26 C ATOM 364 CG LYS A 81 -8.756 18.632 -26.557 1.00 22.38 C ATOM 365 CD LYS A 81 -9.251 19.497 -27.718 1.00 33.16 C ATOM 366 CE LYS A 81 -8.726 20.918 -27.617 1.00 50.21 C ATOM 367 NZ LYS A 81 -9.452 21.809 -28.571 1.00 44.27 N ATOM 368 HZ1 LYS A 81 -9.312 21.463 -29.542 1.00 0.00 H ATOM 369 HZ2 LYS A 81 -10.467 21.805 -28.344 1.00 0.00 H ATOM 370 HZ3 LYS A 81 -9.081 22.777 -28.490 1.00 0.00 H ATOM 371 H LYS A 81 -8.902 15.529 -26.880 1.00 0.00 H ATOM 372 N ALA A 82 -6.148 14.896 -28.090 1.00 12.21 N ATOM 373 CA ALA A 82 -4.856 14.247 -28.438 1.00 12.36 C ATOM 374 C ALA A 82 -4.615 14.117 -29.954 1.00 12.87 C ATOM 375 O ALA A 82 -5.549 14.019 -30.753 1.00 12.98 O ATOM 376 CB ALA A 82 -4.774 12.892 -27.747 1.00 13.13 C ATOM 377 H ALA A 82 -6.896 14.366 -27.599 1.00 0.00 H ATOM 378 N ARG A 83 -3.350 14.050 -30.339 1.00 12.76 N ATOM 379 CA ARG A 83 -2.949 14.130 -31.735 1.00 14.57 C ATOM 380 C ARG A 83 -3.540 13.054 -32.629 1.00 11.91 C ATOM 381 O ARG A 83 -3.810 13.320 -33.754 1.00 13.88 O ATOM 382 CB ARG A 83 -1.406 14.183 -31.869 1.00 15.63 C ATOM 383 CG ARG A 83 -0.935 14.811 -33.172 1.00 20.51 C ATOM 384 CD ARG A 83 0.264 13.974 -33.758 1.00 26.83 C ATOM 385 NE ARG A 83 0.233 14.210 -35.198 1.00 23.19 N ATOM 386 CZ ARG A 83 0.635 15.424 -35.581 1.00 31.40 C ATOM 387 NH1 ARG A 83 1.195 16.219 -34.641 1.00 38.54 N ATOM 388 NH2 ARG A 83 0.561 15.822 -36.841 1.00 31.51 N ATOM 389 HE ARG A 83 -0.079 13.486 -35.876 1.00 0.00 H ATOM 390 HH12 ARG A 83 1.523 17.173 -34.895 1.00 0.00 H ATOM 391 HH11 ARG A 83 1.298 15.876 -33.664 1.00 0.00 H ATOM 392 HH22 ARG A 83 0.883 16.775 -37.105 1.00 0.00 H ATOM 393 HH21 ARG A 83 0.181 15.182 -37.567 1.00 0.00 H ATOM 394 H ARG A 83 -2.613 13.936 -29.614 1.00 0.00 H ATOM 395 N TRP A 84 -3.793 11.862 -32.098 1.00 9.72 N ATOM 396 CA TRP A 84 -4.418 10.831 -32.966 1.00 10.19 C ATOM 397 C TRP A 84 -5.667 11.326 -33.715 1.00 10.16 C ATOM 398 O TRP A 84 -5.911 10.855 -34.857 1.00 10.43 O ATOM 399 CB TRP A 84 -4.897 9.608 -32.168 1.00 10.47 C ATOM 400 CG TRP A 84 -3.750 8.952 -31.331 1.00 9.77 C ATOM 401 CD1 TRP A 84 -2.734 8.147 -31.797 1.00 11.24 C ATOM 402 CD2 TRP A 84 -3.614 9.001 -29.911 1.00 8.87 C ATOM 403 NE1 TRP A 84 -1.955 7.729 -30.705 1.00 13.42 N ATOM 404 CE2 TRP A 84 -2.498 8.228 -29.552 1.00 9.09 C ATOM 405 CE3 TRP A 84 -4.370 9.625 -28.877 1.00 9.72 C ATOM 406 CZ2 TRP A 84 -2.070 8.102 -28.189 1.00 9.08 C ATOM 407 CZ3 TRP A 84 -3.947 9.451 -27.504 1.00 10.06 C ATOM 408 CH2 TRP A 84 -2.810 8.696 -27.217 1.00 10.89 C ATOM 409 HE1 TRP A 84 -1.103 7.136 -30.763 1.00 0.00 H ATOM 410 H TRP A 84 -3.561 11.657 -31.105 1.00 0.00 H ATOM 411 N TRP A 85 -6.419 12.195 -33.062 1.00 9.64 N ATOM 412 CA TRP A 85 -7.723 12.616 -33.550 1.00 10.01 C ATOM 413 C TRP A 85 -7.718 13.915 -34.341 1.00 11.73 C ATOM 414 O TRP A 85 -8.799 14.455 -34.641 1.00 14.84 O ATOM 415 CB TRP A 85 -8.694 12.713 -32.351 1.00 12.11 C ATOM 416 CG TRP A 85 -8.639 11.466 -31.599 1.00 12.36 C ATOM 417 CD1 TRP A 85 -8.168 11.267 -30.337 1.00 11.38 C ATOM 418 CD2 TRP A 85 -9.099 10.169 -32.080 1.00 10.73 C ATOM 419 NE1 TRP A 85 -8.257 9.900 -29.997 1.00 11.10 N ATOM 420 CE2 TRP A 85 -8.851 9.215 -31.040 1.00 11.80 C ATOM 421 CE3 TRP A 85 -9.676 9.753 -33.252 1.00 11.25 C ATOM 422 CZ2 TRP A 85 -9.189 7.846 -31.190 1.00 10.13 C ATOM 423 CZ3 TRP A 85 -10.097 8.383 -33.355 1.00 8.94 C ATOM 424 CH2 TRP A 85 -9.778 7.460 -32.360 1.00 9.42 C ATOM 425 HE1 TRP A 85 -7.929 9.477 -29.106 1.00 0.00 H ATOM 426 H TRP A 85 -6.066 12.592 -32.168 1.00 0.00 H ATOM 427 N GLN A 86 -6.527 14.445 -34.605 1.00 12.64 N ATOM 428 CA GLN A 86 -6.356 15.808 -35.120 1.00 14.00 C ATOM 429 C GLN A 86 -6.122 15.901 -36.633 1.00 14.84 C ATOM 430 O GLN A 86 -5.497 16.850 -37.072 1.00 19.31 O ATOM 431 CB GLN A 86 -5.234 16.528 -34.331 1.00 15.04 C ATOM 432 CG GLN A 86 -5.501 16.643 -32.841 1.00 17.88 C ATOM 433 CD GLN A 86 -6.669 17.538 -32.571 1.00 21.86 C ATOM 434 OE1 GLN A 86 -6.746 18.641 -33.161 1.00 22.61 O ATOM 435 NE2 GLN A 86 -7.566 17.127 -31.712 1.00 22.25 N ATOM 436 HE22 GLN A 86 -7.457 16.203 -31.248 1.00 0.00 H ATOM 437 HE21 GLN A 86 -8.388 17.725 -31.493 1.00 0.00 H ATOM 438 H GLN A 86 -5.679 13.867 -34.439 1.00 0.00 H ATOM 439 N ILE A 87 -6.508 14.886 -37.392 1.00 12.26 N ATOM 440 CA ILE A 87 -6.458 14.959 -38.898 1.00 11.42 C ATOM 441 C ILE A 87 -7.187 16.305 -39.324 1.00 14.52 C ATOM 442 O ILE A 87 -6.623 17.086 -40.084 1.00 17.99 O ATOM 443 CB ILE A 87 -7.060 13.741 -39.568 1.00 12.18 C ATOM 444 CG1 ILE A 87 -6.082 12.527 -39.469 1.00 16.92 C ATOM 445 CG2 ILE A 87 -7.323 14.043 -41.061 1.00 16.14 C ATOM 446 CD1 ILE A 87 -6.712 11.178 -39.766 1.00 19.81 C ATOM 447 H ILE A 87 -6.854 14.017 -36.938 1.00 0.00 H ATOM 448 N SER A 88 -8.382 16.563 -38.803 1.00 14.40 N ATOM 449 CA SER A 88 -9.112 17.827 -39.047 1.00 17.80 C ATOM 450 C SER A 88 -9.991 18.214 -37.887 1.00 18.01 C ATOM 451 O SER A 88 -10.129 17.415 -36.960 1.00 15.33 O ATOM 452 CB SER A 88 -9.967 17.691 -40.312 1.00 19.65 C ATOM 453 OG SER A 88 -11.018 16.772 -40.105 1.00 20.94 O ATOM 454 HG SER A 88 -11.558 16.698 -40.932 1.00 0.00 H ATOM 455 H SER A 88 -8.824 15.844 -38.196 1.00 0.00 H ATOM 456 N LYS A 89 -10.598 19.390 -37.966 1.00 16.51 N ATOM 457 CA LYS A 89 -11.678 19.734 -37.068 1.00 16.61 C ATOM 458 C LYS A 89 -12.790 18.700 -37.051 1.00 17.97 C ATOM 459 O LYS A 89 -13.366 18.447 -35.972 1.00 16.38 O ATOM 460 CB LYS A 89 -12.222 21.119 -37.385 1.00 24.50 C ATOM 461 CG LYS A 89 -11.284 22.183 -36.857 1.00 33.98 C ATOM 462 CD LYS A 89 -11.563 23.522 -37.526 1.00 44.83 C ATOM 463 CE LYS A 89 -12.726 24.245 -36.883 1.00 50.88 C ATOM 464 NZ LYS A 89 -13.089 25.498 -37.612 1.00 61.01 N ATOM 465 HZ1 LYS A 89 -12.273 26.142 -37.619 1.00 0.00 H ATOM 466 HZ2 LYS A 89 -13.356 25.264 -38.590 1.00 0.00 H ATOM 467 HZ3 LYS A 89 -13.890 25.956 -37.133 1.00 0.00 H ATOM 468 H LYS A 89 -10.293 20.076 -38.685 1.00 0.00 H ATOM 469 N LYS A 90 -13.117 18.108 -38.194 1.00 17.48 N ATOM 470 CA LYS A 90 -14.165 17.116 -38.307 1.00 15.74 C ATOM 471 C LYS A 90 -13.843 15.845 -37.587 1.00 16.68 C ATOM 472 O LYS A 90 -14.699 15.326 -36.895 1.00 15.37 O ATOM 473 CB LYS A 90 -14.469 16.911 -39.804 1.00 17.62 C ATOM 474 CG LYS A 90 -14.944 18.279 -40.372 1.00 24.69 C ATOM 475 CD LYS A 90 -15.042 18.196 -41.879 1.00 38.62 C ATOM 476 CE LYS A 90 -16.471 17.970 -42.259 1.00 42.12 C ATOM 477 NZ LYS A 90 -16.683 18.265 -43.700 1.00 59.66 N ATOM 478 HZ1 LYS A 90 -16.437 19.258 -43.889 1.00 0.00 H ATOM 479 HZ2 LYS A 90 -16.079 17.641 -44.273 1.00 0.00 H ATOM 480 HZ3 LYS A 90 -17.681 18.102 -43.943 1.00 0.00 H ATOM 481 H LYS A 90 -12.593 18.371 -39.053 1.00 0.00 H ATOM 482 N THR A 91 -12.590 15.398 -37.688 1.00 14.61 N ATOM 483 CA THR A 91 -12.213 14.179 -36.960 1.00 13.36 C ATOM 484 C THR A 91 -12.230 14.379 -35.481 1.00 12.27 C ATOM 485 O THR A 91 -12.566 13.444 -34.692 1.00 13.56 O ATOM 486 CB THR A 91 -10.859 13.564 -37.422 1.00 14.24 C ATOM 487 OG1 THR A 91 -9.772 14.501 -37.189 1.00 14.41 O ATOM 488 CG2 THR A 91 -10.955 13.174 -38.859 1.00 16.59 C ATOM 489 HG1 THR A 91 -9.719 14.710 -36.223 1.00 0.00 H ATOM 490 H THR A 91 -11.893 15.903 -38.271 1.00 0.00 H ATOM 491 N GLU A 92 -11.728 15.538 -35.065 1.00 13.95 N ATOM 492 CA GLU A 92 -11.801 15.883 -33.625 1.00 11.98 C ATOM 493 C GLU A 92 -13.265 15.920 -33.137 1.00 14.87 C ATOM 494 O GLU A 92 -13.545 15.369 -32.056 1.00 13.48 O ATOM 495 CB GLU A 92 -11.073 17.205 -33.322 1.00 14.77 C ATOM 496 CG GLU A 92 -11.199 17.663 -31.889 1.00 16.31 C ATOM 497 CD GLU A 92 -10.556 19.028 -31.766 1.00 25.12 C ATOM 498 OE1 GLU A 92 -11.028 19.941 -32.438 1.00 34.22 O ATOM 499 OE2 GLU A 92 -9.539 19.229 -31.130 1.00 31.88 O ATOM 500 H GLU A 92 -11.289 16.195 -35.742 1.00 0.00 H ATOM 501 N ALA A 93 -14.166 16.550 -33.916 1.00 13.86 N ATOM 502 CA ALA A 93 -15.545 16.631 -33.515 1.00 13.47 C ATOM 503 C ALA A 93 -16.166 15.246 -33.419 1.00 13.08 C ATOM 504 O ALA A 93 -16.913 14.953 -32.494 1.00 14.93 O ATOM 505 CB ALA A 93 -16.285 17.526 -34.534 1.00 13.17 C ATOM 506 H ALA A 93 -13.862 16.980 -34.813 1.00 0.00 H ATOM 507 N THR A 94 -15.778 14.336 -34.323 1.00 12.33 N ATOM 508 CA THR A 94 -16.283 12.972 -34.283 1.00 12.19 C ATOM 509 C THR A 94 -15.820 12.312 -32.987 1.00 14.20 C ATOM 510 O THR A 94 -16.638 11.721 -32.288 1.00 11.53 O ATOM 511 CB THR A 94 -15.786 12.159 -35.452 1.00 15.12 C ATOM 512 OG1 THR A 94 -16.298 12.734 -36.662 1.00 19.09 O ATOM 513 CG2 THR A 94 -16.246 10.679 -35.314 1.00 19.00 C ATOM 514 HG1 THR A 94 -15.978 12.208 -37.437 1.00 0.00 H ATOM 515 H THR A 94 -15.104 14.610 -35.066 1.00 0.00 H ATOM 516 N GLN A 95 -14.501 12.399 -32.684 1.00 12.81 N ATOM 517 CA GLN A 95 -14.069 11.745 -31.449 1.00 14.40 C ATOM 518 C GLN A 95 -14.759 12.321 -30.193 1.00 11.91 C ATOM 519 O GLN A 95 -15.132 11.574 -29.301 1.00 13.42 O ATOM 520 CB GLN A 95 -12.555 11.792 -31.337 1.00 13.47 C ATOM 521 CG GLN A 95 -12.078 10.997 -30.084 1.00 14.99 C ATOM 522 CD GLN A 95 -12.367 9.516 -30.110 1.00 14.45 C ATOM 523 OE1 GLN A 95 -12.465 8.842 -31.169 1.00 16.39 O ATOM 524 NE2 GLN A 95 -12.616 9.011 -28.933 1.00 11.07 N ATOM 525 HE22 GLN A 95 -12.523 9.603 -28.083 1.00 0.00 H ATOM 526 HE21 GLN A 95 -12.908 8.017 -28.845 1.00 0.00 H ATOM 527 H GLN A 95 -13.831 12.905 -33.298 1.00 0.00 H ATOM 528 N LYS A 96 -14.948 13.643 -30.131 1.00 12.86 N ATOM 529 CA LYS A 96 -15.633 14.296 -29.038 1.00 11.85 C ATOM 530 C LYS A 96 -17.036 13.677 -28.853 1.00 12.40 C ATOM 531 O LYS A 96 -17.417 13.346 -27.716 1.00 11.91 O ATOM 532 CB LYS A 96 -15.693 15.803 -29.269 1.00 10.26 C ATOM 533 CG LYS A 96 -16.284 16.494 -28.042 1.00 13.11 C ATOM 534 CD LYS A 96 -15.994 18.020 -28.207 1.00 16.72 C ATOM 535 CE LYS A 96 -16.579 18.800 -27.056 1.00 23.79 C ATOM 536 NZ LYS A 96 -18.038 18.878 -27.242 1.00 30.73 N ATOM 537 HZ1 LYS A 96 -18.247 19.358 -28.141 1.00 0.00 H ATOM 538 HZ2 LYS A 96 -18.436 17.917 -27.260 1.00 0.00 H ATOM 539 HZ3 LYS A 96 -18.458 19.414 -26.456 1.00 0.00 H ATOM 540 H LYS A 96 -14.584 14.231 -30.908 1.00 0.00 H ATOM 541 N ARG A 97 -17.783 13.534 -29.950 1.00 12.14 N ATOM 542 CA ARG A 97 -19.128 12.962 -29.872 1.00 11.99 C ATOM 543 C ARG A 97 -19.081 11.490 -29.456 1.00 14.09 C ATOM 544 O ARG A 97 -19.940 11.031 -28.680 1.00 14.76 O ATOM 545 CB ARG A 97 -19.797 13.014 -31.265 1.00 12.04 C ATOM 546 CG ARG A 97 -21.151 12.339 -31.166 1.00 18.19 C ATOM 547 CD ARG A 97 -21.872 12.016 -32.433 1.00 31.48 C ATOM 548 NE ARG A 97 -21.047 11.508 -33.514 1.00 29.66 N ATOM 549 CZ ARG A 97 -21.009 10.246 -33.956 1.00 22.05 C ATOM 550 NH1 ARG A 97 -21.721 9.288 -33.382 1.00 22.22 N ATOM 551 NH2 ARG A 97 -20.232 9.949 -35.036 1.00 24.25 N ATOM 552 HE ARG A 97 -20.425 12.192 -33.991 1.00 0.00 H ATOM 553 HH12 ARG A 97 -21.673 8.315 -33.746 1.00 0.00 H ATOM 554 HH11 ARG A 97 -22.328 9.509 -32.567 1.00 0.00 H ATOM 555 HH22 ARG A 97 -20.190 8.973 -35.394 1.00 0.00 H ATOM 556 HH21 ARG A 97 -19.681 10.698 -35.502 1.00 0.00 H ATOM 557 H ARG A 97 -17.405 13.833 -30.872 1.00 0.00 H ATOM 558 N LEU A 98 -18.096 10.716 -29.938 1.00 11.89 N ATOM 559 CA LEU A 98 -17.990 9.316 -29.494 1.00 12.96 C ATOM 560 C LEU A 98 -17.714 9.223 -27.967 1.00 10.07 C ATOM 561 O LEU A 98 -18.268 8.362 -27.241 1.00 11.94 O ATOM 562 CB LEU A 98 -16.897 8.569 -30.269 1.00 11.38 C ATOM 563 CG LEU A 98 -17.188 8.487 -31.780 1.00 11.54 C ATOM 564 CD1 LEU A 98 -16.058 7.683 -32.483 1.00 13.66 C ATOM 565 CD2 LEU A 98 -18.491 7.770 -32.027 1.00 14.90 C ATOM 566 H LEU A 98 -17.413 11.102 -30.620 1.00 0.00 H ATOM 567 N VAL A 99 -16.772 10.057 -27.494 1.00 11.97 N ATOM 568 CA VAL A 99 -16.494 10.098 -26.056 1.00 10.63 C ATOM 569 C VAL A 99 -17.756 10.434 -25.257 1.00 13.01 C ATOM 570 O VAL A 99 -18.057 9.776 -24.220 1.00 15.87 O ATOM 571 CB VAL A 99 -15.296 11.026 -25.738 1.00 13.47 C ATOM 572 CG1 VAL A 99 -15.176 11.270 -24.229 1.00 15.23 C ATOM 573 CG2 VAL A 99 -14.032 10.398 -26.338 1.00 15.92 C ATOM 574 H VAL A 99 -16.243 10.671 -28.146 1.00 0.00 H ATOM 575 N GLU A 100 -18.469 11.477 -25.706 1.00 14.02 N ATOM 576 CA GLU A 100 -19.636 11.864 -25.011 1.00 13.98 C ATOM 577 C GLU A 100 -20.696 10.766 -25.011 1.00 13.50 C ATOM 578 O GLU A 100 -21.381 10.601 -23.959 1.00 15.17 O ATOM 579 CB GLU A 100 -20.193 13.157 -25.612 1.00 15.30 C ATOM 580 CG GLU A 100 -19.299 14.349 -25.263 1.00 21.57 C ATOM 581 CD GLU A 100 -19.642 15.583 -26.087 1.00 26.37 C ATOM 582 OE1 GLU A 100 -20.350 15.447 -27.086 1.00 28.43 O ATOM 583 OE2 GLU A 100 -19.140 16.656 -25.726 1.00 24.26 O ATOM 584 H GLU A 100 -18.166 11.995 -26.556 1.00 0.00 H ATOM 585 N THR A 101 -20.862 10.053 -26.144 1.00 13.35 N ATOM 586 CA THR A 101 -21.740 8.861 -26.182 1.00 13.99 C ATOM 587 C THR A 101 -21.330 7.803 -25.156 1.00 15.54 C ATOM 588 O THR A 101 -22.169 7.316 -24.396 1.00 15.39 O ATOM 589 CB THR A 101 -21.742 8.227 -27.625 1.00 19.10 C ATOM 590 OG1 THR A 101 -22.337 9.177 -28.504 1.00 21.55 O ATOM 591 CG2 THR A 101 -22.648 6.993 -27.723 1.00 20.69 C ATOM 592 HG1 THR A 101 -21.807 10.013 -28.492 1.00 0.00 H ATOM 593 H THR A 101 -20.363 10.346 -27.008 1.00 0.00 H ATOM 594 N ALA A 102 -20.050 7.451 -25.089 1.00 14.93 N ATOM 595 CA ALA A 102 -19.650 6.416 -24.121 1.00 13.10 C ATOM 596 C ALA A 102 -19.874 6.915 -22.676 1.00 14.75 C ATOM 597 O ALA A 102 -20.206 6.119 -21.806 1.00 15.55 O ATOM 598 CB ALA A 102 -18.176 6.069 -24.326 1.00 12.93 C ATOM 599 H ALA A 102 -19.344 7.898 -25.709 1.00 0.00 H ATOM 600 N SER A 103 -19.663 8.227 -22.430 1.00 14.88 N ATOM 601 CA SER A 103 -19.864 8.839 -21.134 1.00 12.88 C ATOM 602 C SER A 103 -21.256 8.667 -20.635 1.00 15.01 C ATOM 603 O SER A 103 -21.398 8.594 -19.416 1.00 18.95 O ATOM 604 CB SER A 103 -19.571 10.336 -21.121 1.00 18.59 C ATOM 605 OG SER A 103 -18.154 10.494 -21.314 1.00 28.10 O ATOM 606 HG SER A 103 -17.669 10.037 -20.581 1.00 0.00 H ATOM 607 H SER A 103 -19.339 8.829 -23.214 1.00 0.00 H ATOM 608 N SER A 104 -22.201 8.438 -21.533 1.00 16.63 N ATOM 609 CA SER A 104 -23.617 8.174 -21.150 1.00 18.35 C ATOM 610 C SER A 104 -23.932 6.708 -20.977 1.00 20.32 C ATOM 611 O SER A 104 -25.091 6.361 -20.657 1.00 23.60 O ATOM 612 CB SER A 104 -24.574 8.788 -22.230 1.00 22.70 C ATOM 613 OG SER A 104 -24.642 7.952 -23.421 1.00 23.08 O ATOM 614 HG SER A 104 -23.738 7.867 -23.815 1.00 0.00 H ATOM 615 H SER A 104 -21.947 8.442 -22.541 1.00 0.00 H ATOM 616 N GLY A 105 -22.929 5.824 -21.164 1.00 20.03 N ATOM 617 CA GLY A 105 -23.169 4.355 -20.988 1.00 18.35 C ATOM 618 C GLY A 105 -23.382 3.586 -22.262 1.00 18.68 C ATOM 619 O GLY A 105 -23.662 2.397 -22.172 1.00 25.48 O ATOM 620 H GLY A 105 -21.984 6.165 -21.432 1.00 0.00 H ATOM 621 N GLU A 106 -23.273 4.233 -23.427 1.00 16.81 N ATOM 622 CA GLU A 106 -23.549 3.572 -24.708 1.00 17.29 C ATOM 623 C GLU A 106 -22.183 3.091 -25.243 1.00 15.87 C ATOM 624 O GLU A 106 -21.196 3.838 -25.289 1.00 18.96 O ATOM 625 CB GLU A 106 -24.274 4.538 -25.689 1.00 20.17 C ATOM 626 CG GLU A 106 -24.518 3.978 -27.079 1.00 21.60 C ATOM 627 CD GLU A 106 -25.365 4.895 -27.987 1.00 31.96 C ATOM 628 OE1 GLU A 106 -26.181 5.693 -27.478 1.00 40.10 O ATOM 629 OE2 GLU A 106 -25.160 4.866 -29.216 1.00 38.78 O ATOM 630 H GLU A 106 -22.985 5.232 -23.425 1.00 0.00 H ATOM 631 N PHE A 107 -22.121 1.855 -25.654 1.00 17.46 N ATOM 632 CA PHE A 107 -20.898 1.298 -26.179 1.00 15.50 C ATOM 633 C PHE A 107 -20.719 1.810 -27.642 1.00 16.21 C ATOM 634 O PHE A 107 -21.741 2.016 -28.376 1.00 19.51 O ATOM 635 CB PHE A 107 -21.116 -0.224 -26.205 1.00 15.49 C ATOM 636 CG PHE A 107 -20.997 -0.841 -24.844 1.00 16.28 C ATOM 637 CD1 PHE A 107 -22.080 -0.915 -23.933 1.00 20.94 C ATOM 638 CD2 PHE A 107 -19.777 -1.359 -24.466 1.00 19.92 C ATOM 639 CE1 PHE A 107 -21.882 -1.479 -22.661 1.00 27.05 C ATOM 640 CE2 PHE A 107 -19.580 -1.915 -23.202 1.00 19.88 C ATOM 641 CZ PHE A 107 -20.636 -1.999 -22.301 1.00 22.65 C ATOM 642 H PHE A 107 -22.971 1.258 -25.602 1.00 0.00 H ATOM 643 N VAL A 108 -19.478 1.972 -28.055 1.00 13.51 N ATOM 644 CA VAL A 108 -19.111 2.590 -29.370 1.00 13.11 C ATOM 645 C VAL A 108 -18.199 1.640 -30.039 1.00 17.12 C ATOM 646 O VAL A 108 -17.239 1.147 -29.388 1.00 14.57 O ATOM 647 CB VAL A 108 -18.290 3.918 -29.142 1.00 15.59 C ATOM 648 CG1 VAL A 108 -17.623 4.399 -30.445 1.00 17.78 C ATOM 649 CG2 VAL A 108 -19.204 4.944 -28.553 1.00 15.38 C ATOM 650 H VAL A 108 -18.709 1.652 -27.432 1.00 0.00 H ATOM 651 N ARG A 109 -18.463 1.390 -31.305 1.00 14.73 N ATOM 652 CA ARG A 109 -17.472 0.729 -32.173 1.00 16.02 C ATOM 653 C ARG A 109 -17.634 1.297 -33.541 1.00 18.92 C ATOM 654 O ARG A 109 -18.738 1.342 -34.094 1.00 21.74 O ATOM 655 CB ARG A 109 -17.721 -0.794 -32.249 1.00 17.82 C ATOM 656 CG ARG A 109 -16.630 -1.492 -33.070 1.00 26.10 C ATOM 657 CD ARG A 109 -16.738 -2.985 -32.907 1.00 32.63 C ATOM 658 NE ARG A 109 -15.764 -3.625 -33.792 1.00 42.94 N ATOM 659 CZ ARG A 109 -15.488 -4.926 -33.782 1.00 32.47 C ATOM 660 NH1 ARG A 109 -16.124 -5.757 -32.940 1.00 36.02 N ATOM 661 NH2 ARG A 109 -14.593 -5.409 -34.652 1.00 29.23 N ATOM 662 HE ARG A 109 -15.255 -3.024 -34.472 1.00 0.00 H ATOM 663 HH12 ARG A 109 -15.899 -6.772 -32.942 1.00 0.00 H ATOM 664 HH11 ARG A 109 -16.842 -5.385 -32.286 1.00 0.00 H ATOM 665 HH22 ARG A 109 -14.367 -6.424 -34.656 1.00 0.00 H ATOM 666 HH21 ARG A 109 -14.123 -4.769 -35.324 1.00 0.00 H ATOM 667 H ARG A 109 -19.386 1.664 -31.699 1.00 0.00 H ATOM 668 N CYS A 110 -16.515 1.686 -34.130 1.00 15.86 N ATOM 669 CA CYS A 110 -16.558 2.077 -35.518 1.00 16.80 C ATOM 670 C CYS A 110 -15.198 2.160 -36.121 1.00 16.78 C ATOM 671 O CYS A 110 -14.158 2.193 -35.424 1.00 18.25 O ATOM 672 CB CYS A 110 -17.277 3.426 -35.642 1.00 23.03 C ATOM 673 SG CYS A 110 -16.452 4.688 -34.641 1.00 27.38 S ATOM 674 H CYS A 110 -15.620 1.710 -33.601 1.00 0.00 H ATOM 675 N ASP A 111 -15.169 2.190 -37.452 1.00 15.93 N ATOM 676 CA ASP A 111 -13.867 2.372 -38.148 1.00 18.07 C ATOM 677 C ASP A 111 -13.534 3.846 -38.167 1.00 21.26 C ATOM 678 O ASP A 111 -14.431 4.733 -38.368 1.00 23.67 O ATOM 679 CB ASP A 111 -13.911 1.834 -39.582 1.00 19.22 C ATOM 680 CG ASP A 111 -13.916 0.303 -39.663 1.00 26.76 C ATOM 681 OD1 ASP A 111 -13.810 -0.422 -38.641 1.00 31.56 O ATOM 682 OD2 ASP A 111 -14.063 -0.213 -40.801 1.00 34.77 O ATOM 683 H ASP A 111 -16.047 2.087 -37.999 1.00 0.00 H ATOM 684 N VAL A 112 -12.247 4.154 -37.965 1.00 14.49 N ATOM 685 CA VAL A 112 -11.853 5.584 -38.005 1.00 16.50 C ATOM 686 C VAL A 112 -10.448 5.675 -38.549 1.00 17.49 C ATOM 687 O VAL A 112 -9.771 4.688 -38.595 1.00 20.88 O ATOM 688 CB VAL A 112 -11.834 6.247 -36.584 1.00 18.77 C ATOM 689 CG1 VAL A 112 -13.213 6.283 -35.896 1.00 26.92 C ATOM 690 CG2 VAL A 112 -10.842 5.581 -35.649 1.00 19.23 C ATOM 691 H VAL A 112 -11.542 3.411 -37.785 1.00 0.00 H ATOM 692 N GLU A 113 -9.976 6.864 -38.945 1.00 19.69 N ATOM 693 CA GLU A 113 -8.549 7.005 -39.238 1.00 17.28 C ATOM 694 C GLU A 113 -7.920 7.812 -38.168 1.00 18.25 C ATOM 695 O GLU A 113 -8.564 8.698 -37.615 1.00 21.38 O ATOM 696 CB GLU A 113 -8.330 7.763 -40.538 1.00 18.93 C ATOM 697 CG GLU A 113 -8.732 6.984 -41.733 1.00 24.95 C ATOM 698 CD GLU A 113 -8.592 7.855 -42.957 1.00 22.54 C ATOM 699 OE1 GLU A 113 -9.137 9.008 -43.024 1.00 43.32 O ATOM 700 OE2 GLU A 113 -7.991 7.364 -43.882 1.00 31.05 O ATOM 701 H GLU A 113 -10.616 7.678 -39.043 1.00 0.00 H ATOM 702 N ILE A 114 -6.641 7.519 -37.882 1.00 13.05 N ATOM 703 CA ILE A 114 -5.905 8.273 -36.902 1.00 11.88 C ATOM 704 C ILE A 114 -4.478 8.564 -37.353 1.00 12.39 C ATOM 705 O ILE A 114 -3.915 7.849 -38.201 1.00 11.81 O ATOM 706 CB ILE A 114 -5.824 7.595 -35.527 1.00 12.19 C ATOM 707 CG1 ILE A 114 -5.085 6.258 -35.627 1.00 10.13 C ATOM 708 CG2 ILE A 114 -7.245 7.463 -34.943 1.00 16.70 C ATOM 709 CD1 ILE A 114 -4.876 5.501 -34.280 1.00 13.48 C ATOM 710 H ILE A 114 -6.174 6.733 -38.378 1.00 0.00 H ATOM 711 N LEU A 115 -3.883 9.630 -36.776 1.00 12.88 N ATOM 712 CA LEU A 115 -2.436 9.928 -36.948 1.00 13.66 C ATOM 713 C LEU A 115 -1.752 8.998 -35.950 1.00 15.89 C ATOM 714 O LEU A 115 -1.576 9.339 -34.776 1.00 16.39 O ATOM 715 CB LEU A 115 -2.158 11.384 -36.647 1.00 12.25 C ATOM 716 CG LEU A 115 -2.681 12.322 -37.758 1.00 15.42 C ATOM 717 CD1 LEU A 115 -2.769 13.737 -37.220 1.00 15.58 C ATOM 718 CD2 LEU A 115 -1.829 12.298 -39.027 1.00 18.29 C ATOM 719 H LEU A 115 -4.458 10.267 -36.189 1.00 0.00 H ATOM 720 N GLY A 116 -1.459 7.796 -36.401 1.00 11.84 N ATOM 721 CA GLY A 116 -1.026 6.777 -35.510 1.00 13.30 C ATOM 722 C GLY A 116 0.119 5.948 -35.880 1.00 12.36 C ATOM 723 O GLY A 116 0.381 4.954 -35.202 1.00 14.42 O ATOM 724 H GLY A 116 -1.545 7.591 -37.417 1.00 0.00 H ATOM 725 N LYS A 117 0.812 6.330 -36.938 1.00 11.20 N ATOM 726 CA LYS A 117 2.054 5.612 -37.258 1.00 11.89 C ATOM 727 C LYS A 117 3.190 6.628 -37.500 1.00 13.27 C ATOM 728 O LYS A 117 2.932 7.796 -37.820 1.00 11.29 O ATOM 729 CB LYS A 117 1.763 4.791 -38.531 1.00 13.46 C ATOM 730 CG LYS A 117 2.957 4.135 -39.121 1.00 20.38 C ATOM 731 CD LYS A 117 2.430 3.008 -40.017 1.00 30.49 C ATOM 732 CE LYS A 117 3.544 2.017 -40.325 1.00 36.91 C ATOM 733 NZ LYS A 117 4.206 2.476 -41.576 1.00 50.14 N ATOM 734 HZ1 LYS A 117 3.509 2.496 -42.348 1.00 0.00 H ATOM 735 HZ2 LYS A 117 4.593 3.430 -41.432 1.00 0.00 H ATOM 736 HZ3 LYS A 117 4.976 1.821 -41.820 1.00 0.00 H ATOM 737 H LYS A 117 0.486 7.120 -37.531 1.00 0.00 H ATOM 738 N SER A 118 4.433 6.183 -37.313 1.00 12.68 N ATOM 739 CA SER A 118 5.619 7.005 -37.647 1.00 15.61 C ATOM 740 C SER A 118 5.593 8.289 -36.886 1.00 12.70 C ATOM 741 O SER A 118 5.815 9.397 -37.419 1.00 13.62 O ATOM 742 CB SER A 118 5.675 7.270 -39.145 1.00 17.36 C ATOM 743 OG SER A 118 5.896 6.058 -39.896 1.00 25.45 O ATOM 744 HG SER A 118 5.926 6.271 -40.862 1.00 0.00 H ATOM 745 H SER A 118 4.574 5.230 -36.921 1.00 0.00 H ATOM 746 N GLY A 119 5.306 8.181 -35.616 1.00 14.48 N ATOM 747 CA GLY A 119 5.409 9.347 -34.704 1.00 14.92 C ATOM 748 C GLY A 119 4.442 10.449 -35.058 1.00 11.79 C ATOM 749 O GLY A 119 4.714 11.590 -34.833 1.00 14.79 O ATOM 750 H GLY A 119 5.000 7.262 -35.238 1.00 0.00 H ATOM 751 N GLY A 120 3.264 10.061 -35.561 1.00 11.12 N ATOM 752 CA GLY A 120 2.185 10.971 -35.899 1.00 10.81 C ATOM 753 C GLY A 120 2.266 11.527 -37.318 1.00 11.18 C ATOM 754 O GLY A 120 1.427 12.328 -37.691 1.00 13.77 O ATOM 755 H GLY A 120 3.112 9.044 -35.720 1.00 0.00 H ATOM 756 N ARG A 121 3.192 11.019 -38.112 1.00 10.45 N ATOM 757 CA ARG A 121 3.317 11.442 -39.514 1.00 12.49 C ATOM 758 C ARG A 121 2.366 10.750 -40.473 1.00 13.39 C ATOM 759 O ARG A 121 2.057 11.305 -41.526 1.00 14.96 O ATOM 760 CB ARG A 121 4.755 11.207 -40.016 1.00 11.40 C ATOM 761 CG ARG A 121 5.767 12.097 -39.304 1.00 9.84 C ATOM 762 CD ARG A 121 7.183 11.589 -39.595 1.00 11.08 C ATOM 763 NE ARG A 121 8.181 12.473 -38.931 1.00 15.66 N ATOM 764 CZ ARG A 121 8.462 12.396 -37.642 1.00 15.77 C ATOM 765 NH1 ARG A 121 7.861 11.462 -36.863 1.00 16.52 N ATOM 766 NH2 ARG A 121 9.374 13.211 -37.097 1.00 19.32 N ATOM 767 HE ARG A 121 8.678 13.182 -39.507 1.00 0.00 H ATOM 768 HH12 ARG A 121 8.087 11.407 -35.849 1.00 0.00 H ATOM 769 HH11 ARG A 121 7.175 10.801 -37.280 1.00 0.00 H ATOM 770 HH22 ARG A 121 9.590 13.145 -36.082 1.00 0.00 H ATOM 771 HH21 ARG A 121 9.866 13.910 -37.689 1.00 0.00 H ATOM 772 H ARG A 121 3.847 10.304 -37.736 1.00 0.00 H ATOM 773 N GLU A 122 1.931 9.523 -40.140 1.00 10.37 N ATOM 774 CA GLU A 122 1.180 8.680 -41.037 1.00 10.17 C ATOM 775 C GLU A 122 -0.141 8.311 -40.453 1.00 10.89 C ATOM 776 O GLU A 122 -0.239 7.955 -39.245 1.00 12.93 O ATOM 777 CB GLU A 122 2.053 7.429 -41.304 1.00 12.64 C ATOM 778 CG GLU A 122 1.617 6.636 -42.524 1.00 20.57 C ATOM 779 CD GLU A 122 2.601 5.480 -42.827 1.00 40.09 C ATOM 780 OE1 GLU A 122 3.678 5.388 -42.145 1.00 38.12 O ATOM 781 OE2 GLU A 122 2.263 4.661 -43.728 1.00 34.72 O ATOM 782 H GLU A 122 2.147 9.164 -39.188 1.00 0.00 H ATOM 783 N VAL A 123 -1.144 8.328 -41.350 1.00 11.35 N ATOM 784 CA VAL A 123 -2.532 7.868 -41.025 1.00 12.27 C ATOM 785 C VAL A 123 -2.645 6.356 -41.199 1.00 13.83 C ATOM 786 O VAL A 123 -2.168 5.766 -42.178 1.00 15.88 O ATOM 787 CB VAL A 123 -3.527 8.622 -41.907 1.00 14.35 C ATOM 788 CG1 VAL A 123 -4.937 7.960 -41.790 1.00 22.32 C ATOM 789 CG2 VAL A 123 -3.567 10.062 -41.446 1.00 14.92 C ATOM 790 H VAL A 123 -0.947 8.675 -42.310 1.00 0.00 H ATOM 791 N ILE A 124 -3.272 5.740 -40.213 1.00 12.57 N ATOM 792 CA ILE A 124 -3.743 4.369 -40.258 1.00 14.01 C ATOM 793 C ILE A 124 -5.236 4.325 -39.985 1.00 12.42 C ATOM 794 O ILE A 124 -5.797 5.149 -39.288 1.00 14.58 O ATOM 795 CB ILE A 124 -2.952 3.484 -39.292 1.00 14.44 C ATOM 796 CG1 ILE A 124 -2.958 4.072 -37.869 1.00 13.12 C ATOM 797 CG2 ILE A 124 -1.530 3.336 -39.863 1.00 16.03 C ATOM 798 CD1 ILE A 124 -2.441 3.125 -36.791 1.00 15.06 C ATOM 799 H ILE A 124 -3.440 6.278 -39.339 1.00 0.00 H ATOM 800 N ALA A 125 -5.837 3.293 -40.572 1.00 13.76 N ATOM 801 CA ALA A 125 -7.220 2.929 -40.320 1.00 13.85 C ATOM 802 C ALA A 125 -7.252 2.060 -39.074 1.00 12.18 C ATOM 803 O ALA A 125 -6.450 1.192 -38.892 1.00 13.24 O ATOM 804 CB ALA A 125 -7.790 2.182 -41.513 1.00 15.67 C ATOM 805 H ALA A 125 -5.289 2.719 -41.244 1.00 0.00 H ATOM 806 N VAL A 126 -8.225 2.335 -38.191 1.00 13.93 N ATOM 807 CA VAL A 126 -8.351 1.641 -36.901 1.00 12.93 C ATOM 808 C VAL A 126 -9.818 1.224 -36.649 1.00 12.93 C ATOM 809 O VAL A 126 -10.763 1.970 -36.873 1.00 13.09 O ATOM 810 CB VAL A 126 -7.825 2.585 -35.787 1.00 14.83 C ATOM 811 CG1 VAL A 126 -8.204 2.146 -34.421 1.00 19.71 C ATOM 812 CG2 VAL A 126 -6.293 2.678 -35.874 1.00 15.48 C ATOM 813 H VAL A 126 -8.920 3.071 -38.430 1.00 0.00 H ATOM 814 N ASP A 127 -9.961 0.000 -36.157 1.00 13.18 N ATOM 815 CA ASP A 127 -11.200 -0.541 -35.634 1.00 12.35 C ATOM 816 C ASP A 127 -11.210 -0.031 -34.175 1.00 14.53 C ATOM 817 O ASP A 127 -10.447 -0.556 -33.370 1.00 14.04 O ATOM 818 CB ASP A 127 -11.151 -2.074 -35.694 1.00 13.65 C ATOM 819 CG ASP A 127 -12.354 -2.741 -35.041 1.00 21.66 C ATOM 820 OD1 ASP A 127 -13.246 -2.007 -34.566 1.00 25.00 O ATOM 821 OD2 ASP A 127 -12.443 -4.015 -35.068 1.00 28.99 O ATOM 822 H ASP A 127 -9.123 -0.616 -36.146 1.00 0.00 H ATOM 823 N PHE A 128 -12.071 0.959 -33.888 1.00 13.09 N ATOM 824 CA PHE A 128 -12.025 1.678 -32.606 1.00 11.98 C ATOM 825 C PHE A 128 -13.239 1.349 -31.730 1.00 12.82 C ATOM 826 O PHE A 128 -14.345 1.282 -32.235 1.00 15.46 O ATOM 827 CB PHE A 128 -11.990 3.177 -32.918 1.00 11.54 C ATOM 828 CG PHE A 128 -12.131 4.046 -31.715 1.00 10.78 C ATOM 829 CD1 PHE A 128 -11.051 4.164 -30.835 1.00 12.07 C ATOM 830 CD2 PHE A 128 -13.304 4.769 -31.453 1.00 12.41 C ATOM 831 CE1 PHE A 128 -11.154 4.975 -29.688 1.00 12.99 C ATOM 832 CE2 PHE A 128 -13.427 5.578 -30.292 1.00 11.30 C ATOM 833 CZ PHE A 128 -12.335 5.689 -29.401 1.00 11.80 C ATOM 834 H PHE A 128 -12.790 1.224 -34.591 1.00 0.00 H ATOM 835 N SER A 129 -13.040 1.226 -30.429 1.00 10.89 N ATOM 836 CA SER A 129 -14.147 1.004 -29.577 1.00 11.51 C ATOM 837 C SER A 129 -13.956 1.772 -28.248 1.00 11.83 C ATOM 838 O SER A 129 -12.825 2.058 -27.831 1.00 12.38 O ATOM 839 CB SER A 129 -14.308 -0.492 -29.308 1.00 16.67 C ATOM 840 OG SER A 129 -13.146 -1.114 -28.729 1.00 21.06 O ATOM 841 HG SER A 129 -12.939 -0.682 -27.862 1.00 0.00 H ATOM 842 H SER A 129 -12.079 1.292 -30.036 1.00 0.00 H ATOM 843 N LEU A 130 -15.062 2.101 -27.656 1.00 11.57 N ATOM 844 CA LEU A 130 -15.088 2.681 -26.319 1.00 11.15 C ATOM 845 C LEU A 130 -16.034 1.865 -25.446 1.00 11.19 C ATOM 846 O LEU A 130 -17.210 1.671 -25.812 1.00 13.74 O ATOM 847 CB LEU A 130 -15.555 4.162 -26.253 1.00 12.37 C ATOM 848 CG LEU A 130 -14.517 5.153 -26.743 1.00 14.07 C ATOM 849 CD1 LEU A 130 -15.259 6.403 -27.250 1.00 13.93 C ATOM 850 CD2 LEU A 130 -13.542 5.517 -25.613 1.00 17.04 C ATOM 851 H LEU A 130 -15.962 1.945 -28.153 1.00 0.00 H ATOM 852 N LEU A 131 -15.515 1.411 -24.303 1.00 11.31 N ATOM 853 CA LEU A 131 -16.323 0.631 -23.356 1.00 13.30 C ATOM 854 C LEU A 131 -16.588 1.487 -22.119 1.00 13.03 C ATOM 855 O LEU A 131 -15.665 1.834 -21.410 1.00 15.16 O ATOM 856 CB LEU A 131 -15.620 -0.624 -22.882 1.00 14.30 C ATOM 857 CG LEU A 131 -15.130 -1.685 -23.904 1.00 15.13 C ATOM 858 CD1 LEU A 131 -14.642 -2.893 -23.093 1.00 16.01 C ATOM 859 CD2 LEU A 131 -16.228 -2.070 -24.917 1.00 23.42 C ATOM 860 H LEU A 131 -14.520 1.613 -24.079 1.00 0.00 H ATOM 861 N PRO A 132 -17.855 1.773 -21.833 1.00 14.16 N ATOM 862 CA PRO A 132 -18.123 2.471 -20.573 1.00 13.73 C ATOM 863 C PRO A 132 -17.930 1.520 -19.417 1.00 14.19 C ATOM 864 O PRO A 132 -18.468 0.407 -19.461 1.00 18.82 O ATOM 865 CB PRO A 132 -19.589 2.864 -20.696 1.00 17.94 C ATOM 866 CG PRO A 132 -19.947 2.712 -22.145 1.00 21.09 C ATOM 867 CD PRO A 132 -19.082 1.553 -22.631 1.00 16.47 C ATOM 868 N ILE A 133 -17.287 1.983 -18.356 1.00 13.43 N ATOM 869 CA ILE A 133 -17.047 1.148 -17.194 1.00 15.55 C ATOM 870 C ILE A 133 -17.840 1.755 -16.007 1.00 17.72 C ATOM 871 O ILE A 133 -17.577 2.872 -15.595 1.00 15.97 O ATOM 872 CB ILE A 133 -15.556 1.157 -16.853 1.00 14.89 C ATOM 873 CG1 ILE A 133 -14.732 0.549 -18.051 1.00 20.15 C ATOM 874 CG2 ILE A 133 -15.297 0.321 -15.580 1.00 17.57 C ATOM 875 CD1 ILE A 133 -13.239 0.722 -17.898 1.00 18.99 C ATOM 876 H ILE A 133 -16.947 2.966 -18.356 1.00 0.00 H ATOM 877 N CYS A 134 -18.802 0.997 -15.483 1.00 18.56 N ATOM 878 CA CYS A 134 -19.609 1.415 -14.349 1.00 14.89 C ATOM 879 C CYS A 134 -19.159 0.798 -13.047 1.00 16.69 C ATOM 880 O CYS A 134 -18.536 -0.277 -13.029 1.00 18.97 O ATOM 881 CB CYS A 134 -21.083 1.095 -14.575 1.00 18.07 C ATOM 882 SG CYS A 134 -21.368 -0.643 -14.822 1.00 24.74 S ATOM 883 H CYS A 134 -18.984 0.064 -15.905 1.00 0.00 H ATOM 884 N ASN A 135 -19.434 1.520 -11.965 1.00 14.05 N ATOM 885 CA ASN A 135 -19.275 0.969 -10.634 1.00 17.56 C ATOM 886 C ASN A 135 -20.570 0.130 -10.265 1.00 18.54 C ATOM 887 O ASN A 135 -21.433 -0.136 -11.106 1.00 19.80 O ATOM 888 CB ASN A 135 -18.962 2.094 -9.668 1.00 18.21 C ATOM 889 CG ASN A 135 -20.097 3.069 -9.525 1.00 18.89 C ATOM 890 OD1 ASN A 135 -21.229 2.761 -9.907 1.00 17.69 O ATOM 891 ND2 ASN A 135 -19.804 4.230 -8.991 1.00 21.29 N ATOM 892 HD22 ASN A 135 -18.830 4.432 -8.688 1.00 0.00 H ATOM 893 HD21 ASN A 135 -20.546 4.949 -8.871 1.00 0.00 H ATOM 894 H ASN A 135 -19.769 2.498 -12.076 1.00 0.00 H ATOM 895 N GLU A 136 -20.617 -0.406 -9.030 1.00 21.01 N ATOM 896 CA GLU A 136 -21.722 -1.313 -8.680 1.00 22.08 C ATOM 897 C GLU A 136 -23.050 -0.552 -8.652 1.00 24.41 C ATOM 898 O GLU A 136 -24.084 -1.147 -8.947 1.00 30.36 O ATOM 899 CB GLU A 136 -21.527 -2.069 -7.368 1.00 26.09 C ATOM 900 CG GLU A 136 -21.149 -1.241 -6.179 1.00 35.63 C ATOM 901 CD GLU A 136 -20.495 -2.084 -5.108 1.00 42.93 C ATOM 902 OE1 GLU A 136 -21.081 -3.147 -4.711 1.00 45.96 O ATOM 903 OE2 GLU A 136 -19.368 -1.697 -4.701 1.00 26.50 O ATOM 904 H GLU A 136 -19.880 -0.181 -8.331 1.00 0.00 H ATOM 905 N GLU A 137 -22.969 0.738 -8.379 1.00 21.16 N ATOM 906 CA GLU A 137 -24.145 1.631 -8.298 1.00 26.46 C ATOM 907 C GLU A 137 -24.658 1.875 -9.721 1.00 23.38 C ATOM 908 O GLU A 137 -25.840 2.191 -9.901 1.00 30.41 O ATOM 909 CB GLU A 137 -23.770 2.924 -7.502 1.00 27.24 C ATOM 910 CG GLU A 137 -24.867 3.871 -7.111 1.00 33.39 C ATOM 911 CD GLU A 137 -25.044 5.088 -8.029 1.00 38.96 C ATOM 912 OE1 GLU A 137 -24.088 5.457 -8.754 1.00 51.41 O ATOM 913 OE2 GLU A 137 -26.158 5.672 -8.020 1.00 49.35 O ATOM 914 H GLU A 137 -22.028 1.148 -8.212 1.00 0.00 H ATOM 915 N GLY A 138 -23.801 1.647 -10.746 1.00 19.99 N ATOM 916 CA GLY A 138 -24.217 1.805 -12.110 1.00 20.83 C ATOM 917 C GLY A 138 -23.655 3.053 -12.762 1.00 19.74 C ATOM 918 O GLY A 138 -23.812 3.215 -13.950 1.00 24.57 O ATOM 919 H GLY A 138 -22.825 1.352 -10.540 1.00 0.00 H ATOM 920 N SER A 139 -22.993 3.926 -11.983 1.00 16.48 N ATOM 921 CA SER A 139 -22.492 5.207 -12.545 1.00 15.21 C ATOM 922 C SER A 139 -21.298 4.918 -13.375 1.00 14.84 C ATOM 923 O SER A 139 -20.464 4.083 -12.985 1.00 15.51 O ATOM 924 CB SER A 139 -22.086 6.198 -11.446 1.00 20.49 C ATOM 925 OG SER A 139 -23.226 6.539 -10.681 1.00 33.05 O ATOM 926 HG SER A 139 -23.602 5.721 -10.269 1.00 0.00 H ATOM 927 H SER A 139 -22.830 3.703 -10.980 1.00 0.00 H ATOM 928 N ILE A 140 -21.132 5.649 -14.478 1.00 14.72 N ATOM 929 CA ILE A 140 -19.888 5.513 -15.283 1.00 14.64 C ATOM 930 C ILE A 140 -18.737 6.187 -14.549 1.00 15.21 C ATOM 931 O ILE A 140 -18.808 7.358 -14.120 1.00 18.53 O ATOM 932 CB ILE A 140 -20.101 6.156 -16.679 1.00 15.56 C ATOM 933 CG1 ILE A 140 -21.310 5.459 -17.432 1.00 16.55 C ATOM 934 CG2 ILE A 140 -18.805 6.061 -17.481 1.00 16.63 C ATOM 935 CD1 ILE A 140 -21.293 3.964 -17.433 1.00 21.92 C ATOM 936 H ILE A 140 -21.873 6.315 -14.776 1.00 0.00 H ATOM 937 N VAL A 141 -17.686 5.390 -14.325 1.00 11.79 N ATOM 938 CA VAL A 141 -16.494 5.904 -13.648 1.00 13.18 C ATOM 939 C VAL A 141 -15.271 5.985 -14.554 1.00 14.91 C ATOM 940 O VAL A 141 -14.368 6.851 -14.290 1.00 14.54 O ATOM 941 CB VAL A 141 -16.134 5.121 -12.348 1.00 14.72 C ATOM 942 CG1 VAL A 141 -17.264 5.328 -11.282 1.00 16.79 C ATOM 943 CG2 VAL A 141 -15.931 3.654 -12.648 1.00 14.91 C ATOM 944 H VAL A 141 -17.716 4.397 -14.634 1.00 0.00 H ATOM 945 N TYR A 142 -15.213 5.113 -15.590 1.00 11.50 N ATOM 946 CA TYR A 142 -14.090 5.238 -16.551 1.00 11.15 C ATOM 947 C TYR A 142 -14.549 4.848 -17.936 1.00 13.21 C ATOM 948 O TYR A 142 -15.623 4.297 -18.099 1.00 11.85 O ATOM 949 CB TYR A 142 -12.938 4.243 -16.210 1.00 11.40 C ATOM 950 CG TYR A 142 -12.296 4.422 -14.864 1.00 10.59 C ATOM 951 CD1 TYR A 142 -11.391 5.502 -14.620 1.00 13.11 C ATOM 952 CD2 TYR A 142 -12.538 3.518 -13.786 1.00 13.75 C ATOM 953 CE1 TYR A 142 -10.767 5.682 -13.399 1.00 17.10 C ATOM 954 CE2 TYR A 142 -11.889 3.718 -12.572 1.00 13.23 C ATOM 955 CZ TYR A 142 -11.046 4.800 -12.390 1.00 16.31 C ATOM 956 OH TYR A 142 -10.395 5.003 -11.147 1.00 18.17 O ATOM 957 HH TYR A 142 -9.822 4.221 -10.944 1.00 0.00 H ATOM 958 H TYR A 142 -15.937 4.376 -15.708 1.00 0.00 H ATOM 959 N LEU A 143 -13.727 5.093 -18.936 1.00 13.20 N ATOM 960 CA LEU A 143 -13.977 4.609 -20.288 1.00 12.07 C ATOM 961 C LEU A 143 -12.728 3.901 -20.729 1.00 11.34 C ATOM 962 O LEU A 143 -11.627 4.346 -20.416 1.00 10.42 O ATOM 963 CB LEU A 143 -14.261 5.760 -21.278 1.00 10.72 C ATOM 964 CG LEU A 143 -15.290 6.769 -20.861 1.00 9.68 C ATOM 965 CD1 LEU A 143 -15.344 7.833 -21.959 1.00 13.86 C ATOM 966 CD2 LEU A 143 -16.677 6.095 -20.657 1.00 10.69 C ATOM 967 H LEU A 143 -12.869 5.652 -18.754 1.00 0.00 H ATOM 968 N LEU A 144 -12.902 2.761 -21.387 1.00 10.89 N ATOM 969 CA LEU A 144 -11.730 2.061 -21.981 1.00 10.70 C ATOM 970 C LEU A 144 -11.754 2.253 -23.508 1.00 10.79 C ATOM 971 O LEU A 144 -12.708 1.812 -24.185 1.00 13.59 O ATOM 972 CB LEU A 144 -11.713 0.575 -21.589 1.00 11.95 C ATOM 973 CG LEU A 144 -10.359 -0.075 -21.890 1.00 12.85 C ATOM 974 CD1 LEU A 144 -9.309 0.281 -20.777 1.00 12.02 C ATOM 975 CD2 LEU A 144 -10.542 -1.604 -22.086 1.00 15.88 C ATOM 976 H LEU A 144 -13.855 2.358 -21.487 1.00 0.00 H ATOM 977 N ALA A 145 -10.716 2.888 -24.047 1.00 9.42 N ATOM 978 CA ALA A 145 -10.584 3.103 -25.484 1.00 10.73 C ATOM 979 C ALA A 145 -9.694 2.029 -26.061 1.00 11.19 C ATOM 980 O ALA A 145 -8.629 1.756 -25.508 1.00 15.17 O ATOM 981 CB ALA A 145 -9.974 4.512 -25.707 1.00 11.07 C ATOM 982 H ALA A 145 -9.969 3.245 -23.418 1.00 0.00 H ATOM 983 N GLU A 146 -10.103 1.379 -27.151 1.00 11.71 N ATOM 984 CA GLU A 146 -9.283 0.310 -27.694 1.00 10.86 C ATOM 985 C GLU A 146 -9.224 0.499 -29.190 1.00 10.42 C ATOM 986 O GLU A 146 -10.184 1.020 -29.810 1.00 13.70 O ATOM 987 CB GLU A 146 -9.920 -1.086 -27.427 1.00 15.94 C ATOM 988 CG GLU A 146 -9.927 -1.567 -25.972 1.00 17.37 C ATOM 989 CD GLU A 146 -10.597 -2.887 -25.910 1.00 20.75 C ATOM 990 OE1 GLU A 146 -9.947 -3.875 -26.278 1.00 27.34 O ATOM 991 OE2 GLU A 146 -11.795 -2.952 -25.602 1.00 23.88 O ATOM 992 H GLU A 146 -11.001 1.635 -27.608 1.00 0.00 H ATOM 993 N GLY A 147 -8.125 0.074 -29.776 1.00 11.50 N ATOM 994 CA GLY A 147 -8.087 0.074 -31.269 1.00 10.81 C ATOM 995 C GLY A 147 -7.151 -0.956 -31.831 1.00 12.14 C ATOM 996 O GLY A 147 -6.219 -1.368 -31.168 1.00 14.66 O ATOM 997 H GLY A 147 -7.310 -0.251 -29.218 1.00 0.00 H ATOM 998 N ARG A 148 -7.448 -1.382 -33.061 1.00 13.63 N ATOM 999 CA ARG A 148 -6.601 -2.349 -33.779 1.00 17.50 C ATOM 1000 C ARG A 148 -6.403 -1.754 -35.152 1.00 16.67 C ATOM 1001 O ARG A 148 -7.357 -1.250 -35.722 1.00 16.34 O ATOM 1002 CB ARG A 148 -7.306 -3.680 -33.995 1.00 22.34 C ATOM 1003 CG ARG A 148 -7.503 -4.533 -32.763 1.00 27.74 C ATOM 1004 CD ARG A 148 -8.004 -5.905 -33.125 1.00 34.53 C ATOM 1005 NE ARG A 148 -7.042 -6.859 -33.701 1.00 49.06 N ATOM 1006 CZ ARG A 148 -5.814 -7.163 -33.257 1.00 43.37 C ATOM 1007 NH1 ARG A 148 -5.233 -6.478 -32.287 1.00 45.96 N ATOM 1008 NH2 ARG A 148 -5.109 -8.135 -33.864 1.00 41.20 N ATOM 1009 HE ARG A 148 -7.353 -7.359 -34.558 1.00 0.00 H ATOM 1010 HH12 ARG A 148 -4.279 -6.739 -31.965 1.00 0.00 H ATOM 1011 HH11 ARG A 148 -5.730 -5.678 -31.846 1.00 0.00 H ATOM 1012 HH22 ARG A 148 -4.156 -8.376 -33.524 1.00 0.00 H ATOM 1013 HH21 ARG A 148 -5.517 -8.646 -34.673 1.00 0.00 H ATOM 1014 H ARG A 148 -8.304 -1.019 -33.527 1.00 0.00 H ATOM 1015 N ASN A 149 -5.168 -1.769 -35.659 1.00 16.91 N ATOM 1016 CA ASN A 149 -4.868 -1.195 -36.977 1.00 18.66 C ATOM 1017 C ASN A 149 -5.452 -2.168 -37.979 1.00 21.56 C ATOM 1018 O ASN A 149 -5.150 -3.365 -37.895 1.00 20.74 O ATOM 1019 CB ASN A 149 -3.321 -1.111 -37.071 1.00 20.42 C ATOM 1020 CG ASN A 149 -2.794 -0.545 -38.396 1.00 18.11 C ATOM 1021 OD1 ASN A 149 -3.532 -0.286 -39.351 1.00 18.64 O ATOM 1022 ND2 ASN A 149 -1.468 -0.344 -38.427 1.00 24.17 N ATOM 1023 HD22 ASN A 149 -0.887 -0.578 -37.597 1.00 0.00 H ATOM 1024 HD21 ASN A 149 -1.021 0.046 -39.281 1.00 0.00 H ATOM 1025 H ASN A 149 -4.399 -2.198 -35.106 1.00 0.00 H ATOM 1026 N ILE A 150 -6.285 -1.626 -38.895 1.00 14.93 N ATOM 1027 CA ILE A 150 -6.892 -2.407 -39.997 1.00 15.04 C ATOM 1028 C ILE A 150 -6.463 -1.904 -41.390 1.00 15.54 C ATOM 1029 O ILE A 150 -7.052 -2.257 -42.419 1.00 18.48 O ATOM 1030 CB ILE A 150 -8.427 -2.468 -39.832 1.00 15.77 C ATOM 1031 CG1 ILE A 150 -9.010 -1.067 -39.928 1.00 15.64 C ATOM 1032 CG2 ILE A 150 -8.789 -3.325 -38.621 1.00 18.07 C ATOM 1033 CD1 ILE A 150 -10.507 -0.941 -39.838 1.00 21.36 C ATOM 1034 H ILE A 150 -6.510 -0.613 -38.823 1.00 0.00 H ATOM 1035 N THR A 151 -5.324 -1.240 -41.437 1.00 17.31 N ATOM 1036 CA THR A 151 -4.851 -0.711 -42.701 1.00 18.31 C ATOM 1037 C THR A 151 -4.562 -1.849 -43.681 1.00 18.36 C ATOM 1038 O THR A 151 -4.935 -1.789 -44.867 1.00 18.22 O ATOM 1039 CB THR A 151 -3.553 0.097 -42.474 1.00 16.96 C ATOM 1040 OG1 THR A 151 -3.882 1.168 -41.576 1.00 21.05 O ATOM 1041 CG2 THR A 151 -3.014 0.602 -43.806 1.00 20.81 C ATOM 1042 HG1 THR A 151 -4.216 0.791 -40.723 1.00 0.00 H ATOM 1043 H THR A 151 -4.767 -1.097 -40.570 1.00 0.00 H ATOM 1044 N ASP A 152 -3.873 -2.874 -43.184 1.00 17.69 N ATOM 1045 CA ASP A 152 -3.484 -3.972 -44.070 1.00 20.66 C ATOM 1046 C ASP A 152 -4.715 -4.841 -44.428 1.00 18.72 C ATOM 1047 O ASP A 152 -4.773 -5.348 -45.548 1.00 18.49 O ATOM 1048 CB ASP A 152 -2.351 -4.806 -43.418 1.00 24.50 C ATOM 1049 CG ASP A 152 -1.075 -3.951 -43.116 1.00 33.43 C ATOM 1050 OD1 ASP A 152 -0.359 -3.553 -44.072 1.00 35.63 O ATOM 1051 OD2 ASP A 152 -0.771 -3.681 -41.930 1.00 38.91 O ATOM 1052 H ASP A 152 -3.614 -2.894 -42.177 1.00 0.00 H ATOM 1053 N LYS A 153 -5.694 -4.981 -43.520 1.00 16.65 N ATOM 1054 CA LYS A 153 -6.985 -5.682 -43.815 1.00 16.06 C ATOM 1055 C LYS A 153 -7.686 -4.973 -44.996 1.00 17.79 C ATOM 1056 O LYS A 153 -8.106 -5.613 -45.934 1.00 19.24 O ATOM 1057 CB LYS A 153 -7.860 -5.609 -42.592 1.00 20.10 C ATOM 1058 CG LYS A 153 -9.203 -6.288 -42.694 1.00 24.21 C ATOM 1059 CD LYS A 153 -9.947 -6.016 -41.360 1.00 28.17 C ATOM 1060 CE LYS A 153 -11.122 -6.959 -41.204 1.00 44.61 C ATOM 1061 NZ LYS A 153 -12.316 -6.315 -41.807 1.00 48.89 N ATOM 1062 HZ1 LYS A 153 -12.509 -5.418 -41.317 1.00 0.00 H ATOM 1063 HZ2 LYS A 153 -12.137 -6.130 -42.815 1.00 0.00 H ATOM 1064 HZ3 LYS A 153 -13.136 -6.948 -41.710 1.00 0.00 H ATOM 1065 H LYS A 153 -5.550 -4.585 -42.569 1.00 0.00 H ATOM 1066 N LYS A 154 -7.768 -3.641 -44.941 1.00 17.66 N ATOM 1067 CA LYS A 154 -8.470 -2.921 -46.034 1.00 22.22 C ATOM 1068 C LYS A 154 -7.704 -3.021 -47.344 1.00 20.67 C ATOM 1069 O LYS A 154 -8.307 -3.114 -48.419 1.00 20.99 O ATOM 1070 CB LYS A 154 -8.753 -1.469 -45.640 1.00 22.21 C ATOM 1071 CG LYS A 154 -9.742 -1.360 -44.490 1.00 24.17 C ATOM 1072 CD LYS A 154 -9.932 0.097 -44.050 1.00 26.10 C ATOM 1073 CE LYS A 154 -10.584 0.914 -45.142 1.00 44.24 C ATOM 1074 NZ LYS A 154 -10.302 2.352 -44.910 1.00 75.40 N ATOM 1075 HZ1 LYS A 154 -10.686 2.635 -43.986 1.00 0.00 H ATOM 1076 HZ2 LYS A 154 -9.274 2.509 -44.923 1.00 0.00 H ATOM 1077 HZ3 LYS A 154 -10.749 2.917 -45.660 1.00 0.00 H ATOM 1078 H LYS A 154 -7.348 -3.117 -44.147 1.00 0.00 H ATOM 1079 N LYS A 155 -6.370 -3.050 -47.284 1.00 16.09 N ATOM 1080 CA LYS A 155 -5.606 -3.214 -48.528 1.00 19.93 C ATOM 1081 C LYS A 155 -5.802 -4.658 -49.112 1.00 21.74 C ATOM 1082 O LYS A 155 -5.943 -4.833 -50.308 1.00 20.08 O ATOM 1083 CB LYS A 155 -4.130 -2.954 -48.231 1.00 31.88 C ATOM 1084 CG LYS A 155 -3.317 -2.512 -49.421 1.00 32.78 C ATOM 1085 CD LYS A 155 -2.352 -1.385 -49.009 1.00 40.34 C ATOM 1086 CE LYS A 155 -1.732 -1.558 -47.624 1.00 42.26 C ATOM 1087 NZ LYS A 155 -0.654 -0.556 -47.352 1.00 57.35 N ATOM 1088 HZ1 LYS A 155 0.102 -0.662 -48.058 1.00 0.00 H ATOM 1089 HZ2 LYS A 155 -1.052 0.403 -47.409 1.00 0.00 H ATOM 1090 HZ3 LYS A 155 -0.266 -0.716 -46.400 1.00 0.00 H ATOM 1091 H LYS A 155 -5.880 -2.958 -46.371 1.00 0.00 H ATOM 1092 N ALA A 156 -5.829 -5.648 -48.221 1.00 20.85 N ATOM 1093 CA ALA A 156 -6.105 -7.033 -48.666 1.00 20.19 C ATOM 1094 C ALA A 156 -7.514 -7.210 -49.248 1.00 17.86 C ATOM 1095 O ALA A 156 -7.697 -7.958 -50.223 1.00 22.93 O ATOM 1096 CB ALA A 156 -5.854 -8.037 -47.567 1.00 17.75 C ATOM 1097 H ALA A 156 -5.657 -5.448 -47.215 1.00 0.00 H ATOM 1098 N GLU A 157 -8.506 -6.528 -48.662 1.00 18.75 N ATOM 1099 CA GLU A 157 -9.851 -6.550 -49.235 1.00 19.19 C ATOM 1100 C GLU A 157 -9.868 -5.875 -50.631 1.00 22.05 C ATOM 1101 O GLU A 157 -10.549 -6.374 -51.524 1.00 21.98 O ATOM 1102 CB GLU A 157 -10.855 -5.810 -48.314 1.00 20.31 C ATOM 1103 CG GLU A 157 -11.185 -6.594 -47.073 1.00 30.77 C ATOM 1104 CD GLU A 157 -11.865 -5.792 -45.961 1.00 34.77 C ATOM 1105 OE1 GLU A 157 -12.236 -6.389 -44.928 1.00 30.11 O ATOM 1106 OE2 GLU A 157 -12.014 -4.566 -46.096 1.00 31.48 O ATOM 1107 H GLU A 157 -8.319 -5.981 -47.797 1.00 0.00 H ATOM 1108 N ALA A 158 -9.125 -4.758 -50.793 1.00 22.03 N ATOM 1109 CA ALA A 158 -9.018 -4.067 -52.109 1.00 18.91 C ATOM 1110 C ALA A 158 -8.388 -5.002 -53.150 1.00 21.91 C ATOM 1111 O ALA A 158 -8.841 -5.103 -54.362 1.00 22.37 O ATOM 1112 CB ALA A 158 -8.215 -2.736 -51.948 1.00 21.87 C ATOM 1113 H ALA A 158 -8.613 -4.369 -49.976 1.00 0.00 H HETATM 1114 N MSE A 159 -7.373 -5.751 -52.703 1.00 21.40 N HETATM 1115 CA MSE A 159 -6.725 -6.703 -53.647 1.00 21.21 C HETATM 1116 C MSE A 159 -7.636 -7.824 -54.008 1.00 22.81 C HETATM 1117 O MSE A 159 -7.684 -8.237 -55.179 1.00 25.47 O HETATM 1118 CB MSE A 159 -5.364 -7.179 -53.114 1.00 24.90 C HETATM 1119 CG MSE A 159 -4.522 -5.916 -52.839 1.00 47.60 C HETATM 1120 SE MSE A 159 -3.912 -5.100 -54.557 1.00 73.86 S HETATM 1121 CE MSE A 159 -5.191 -3.629 -55.035 1.00 66.88 C HETATM 1122 H MSE A 159 -7.045 -5.670 -51.720 1.00 0.00 H ATOM 1123 N LEU A 160 -8.400 -8.337 -53.035 1.00 23.96 N ATOM 1124 CA LEU A 160 -9.379 -9.424 -53.331 1.00 21.20 C ATOM 1125 C LEU A 160 -10.470 -8.967 -54.334 1.00 23.70 C ATOM 1126 O LEU A 160 -10.915 -9.747 -55.198 1.00 26.42 O ATOM 1127 CB LEU A 160 -9.987 -10.050 -52.046 1.00 23.06 C ATOM 1128 CG LEU A 160 -9.039 -10.922 -51.228 1.00 28.70 C ATOM 1129 CD1 LEU A 160 -9.682 -11.206 -49.869 1.00 30.82 C ATOM 1130 CD2 LEU A 160 -8.688 -12.223 -51.946 1.00 33.59 C ATOM 1131 H LEU A 160 -8.310 -7.975 -52.064 1.00 0.00 H ATOM 1132 N ALA A 161 -10.915 -7.723 -54.190 1.00 22.66 N ATOM 1133 CA ALA A 161 -11.904 -7.165 -55.095 1.00 22.65 C ATOM 1134 C ALA A 161 -11.355 -7.109 -56.536 1.00 24.69 C ATOM 1135 O ALA A 161 -12.073 -7.422 -57.471 1.00 24.30 O ATOM 1136 CB ALA A 161 -12.314 -5.767 -54.614 1.00 20.62 C ATOM 1137 H ALA A 161 -10.547 -7.137 -53.413 1.00 0.00 H ATOM 1138 N LEU A 162 -10.088 -6.726 -56.708 1.00 25.59 N ATOM 1139 CA LEU A 162 -9.473 -6.742 -58.038 1.00 25.91 C ATOM 1140 C LEU A 162 -9.320 -8.178 -58.552 1.00 31.64 C ATOM 1141 O LEU A 162 -9.535 -8.425 -59.736 1.00 32.05 O ATOM 1142 CB LEU A 162 -8.080 -6.106 -58.020 1.00 24.99 C ATOM 1143 CG LEU A 162 -7.871 -4.585 -57.827 1.00 34.00 C ATOM 1144 CD1 LEU A 162 -6.416 -4.237 -58.153 1.00 39.89 C ATOM 1145 CD2 LEU A 162 -8.844 -3.704 -58.609 1.00 28.16 C ATOM 1146 H LEU A 162 -9.530 -6.412 -55.888 1.00 0.00 H ATOM 1147 N LYS A 163 -8.937 -9.106 -57.659 1.00 28.97 N ATOM 1148 CA LYS A 163 -8.685 -10.500 -58.103 1.00 28.73 C ATOM 1149 C LYS A 163 -9.949 -11.155 -58.604 1.00 27.88 C ATOM 1150 O LYS A 163 -9.958 -11.814 -59.652 1.00 33.28 O ATOM 1151 CB LYS A 163 -8.098 -11.336 -56.945 1.00 36.61 C ATOM 1152 CG LYS A 163 -6.588 -11.332 -56.971 1.00 46.41 C ATOM 1153 CD LYS A 163 -5.992 -12.643 -56.482 1.00 52.65 C ATOM 1154 CE LYS A 163 -4.530 -12.702 -56.907 1.00 49.04 C ATOM 1155 NZ LYS A 163 -4.415 -12.952 -58.372 1.00 41.35 N ATOM 1156 HZ1 LYS A 163 -4.869 -13.858 -58.605 1.00 0.00 H ATOM 1157 HZ2 LYS A 163 -4.885 -12.184 -58.892 1.00 0.00 H ATOM 1158 HZ3 LYS A 163 -3.410 -12.988 -58.638 1.00 0.00 H ATOM 1159 H LYS A 163 -8.817 -8.848 -56.659 1.00 0.00 H ATOM 1160 N ASN A 164 -11.026 -10.903 -57.871 1.00 28.26 N ATOM 1161 CA ASN A 164 -12.348 -11.422 -58.180 1.00 27.24 C ATOM 1162 C ASN A 164 -12.807 -10.985 -59.589 1.00 36.74 C ATOM 1163 O ASN A 164 -13.552 -11.712 -60.282 1.00 33.54 O ATOM 1164 CB ASN A 164 -13.355 -10.966 -57.118 1.00 24.04 C ATOM 1165 CG ASN A 164 -14.702 -11.642 -57.287 1.00 32.11 C ATOM 1166 OD1 ASN A 164 -14.785 -12.876 -57.301 1.00 41.28 O ATOM 1167 ND2 ASN A 164 -15.764 -10.843 -57.466 1.00 36.03 N ATOM 1168 HD22 ASN A 164 -15.647 -9.810 -57.446 1.00 0.00 H ATOM 1169 HD21 ASN A 164 -16.705 -11.257 -57.625 1.00 0.00 H ATOM 1170 H ASN A 164 -10.918 -10.301 -57.030 1.00 0.00 H ATOM 1171 N GLN A 165 -12.324 -9.823 -60.015 1.00 29.38 N ATOM 1172 CA GLN A 165 -12.489 -9.428 -61.443 1.00 34.10 C ATOM 1173 C GLN A 165 -11.345 -10.031 -62.277 1.00 40.51 C ATOM 1174 O GLN A 165 -11.527 -10.412 -63.440 1.00 46.31 O ATOM 1175 CB GLN A 165 -12.521 -7.891 -61.541 1.00 30.59 C ATOM 1176 CG GLN A 165 -13.647 -7.250 -60.713 1.00 29.41 C ATOM 1177 CD GLN A 165 -15.016 -7.729 -61.191 1.00 38.43 C ATOM 1178 OE1 GLN A 165 -15.171 -8.127 -62.358 1.00 45.80 O ATOM 1179 NE2 GLN A 165 -16.021 -7.707 -60.301 1.00 40.03 N ATOM 1180 HE22 GLN A 165 -15.851 -7.367 -59.333 1.00 0.00 H ATOM 1181 HE21 GLN A 165 -16.969 -8.030 -60.579 1.00 0.00 H ATOM 1182 H GLN A 165 -11.831 -9.190 -59.353 1.00 0.00 H TER 1183 GLN A 165 ATOM 1184 N LEU B 43 -8.739 8.896 -6.119 1.00 37.57 N ATOM 1185 CA LEU B 43 -7.935 8.691 -7.368 1.00 28.24 C ATOM 1186 C LEU B 43 -6.869 7.615 -7.071 1.00 25.25 C ATOM 1187 O LEU B 43 -6.207 7.638 -6.021 1.00 24.57 O ATOM 1188 CB LEU B 43 -7.296 10.001 -7.863 1.00 31.90 C ATOM 1189 CG LEU B 43 -6.980 10.341 -9.346 1.00 44.54 C ATOM 1190 CD1 LEU B 43 -7.279 9.287 -10.425 1.00 43.94 C ATOM 1191 CD2 LEU B 43 -7.608 11.696 -9.721 1.00 46.42 C ATOM 1192 HN3 LEU B 43 -8.111 9.211 -5.352 1.00 0.00 H ATOM 1193 HN2 LEU B 43 -9.194 8.000 -5.850 1.00 0.00 H ATOM 1194 HN1 LEU B 43 -9.467 9.618 -6.291 1.00 0.00 H ATOM 1195 N TYR B 44 -6.676 6.668 -7.996 1.00 17.85 N ATOM 1196 CA TYR B 44 -5.780 5.597 -7.686 1.00 14.54 C ATOM 1197 C TYR B 44 -4.325 6.080 -7.633 1.00 18.08 C ATOM 1198 O TYR B 44 -3.986 7.130 -8.173 1.00 17.10 O ATOM 1199 CB TYR B 44 -5.909 4.498 -8.758 1.00 14.00 C ATOM 1200 CG TYR B 44 -5.583 4.944 -10.152 1.00 14.77 C ATOM 1201 CD1 TYR B 44 -4.276 5.154 -10.589 1.00 14.99 C ATOM 1202 CD2 TYR B 44 -6.614 5.170 -11.033 1.00 17.17 C ATOM 1203 CE1 TYR B 44 -3.999 5.629 -11.848 1.00 11.59 C ATOM 1204 CE2 TYR B 44 -6.360 5.606 -12.299 1.00 20.84 C ATOM 1205 CZ TYR B 44 -5.060 5.832 -12.697 1.00 18.16 C ATOM 1206 OH TYR B 44 -4.830 6.271 -13.922 1.00 22.26 O ATOM 1207 HH TYR B 44 -3.855 6.383 -14.054 1.00 0.00 H ATOM 1208 H TYR B 44 -7.163 6.709 -8.914 1.00 0.00 H ATOM 1209 N GLU B 45 -3.479 5.249 -6.995 1.00 14.10 N ATOM 1210 CA GLU B 45 -2.022 5.328 -7.016 1.00 14.61 C ATOM 1211 C GLU B 45 -1.476 4.270 -8.016 1.00 12.79 C ATOM 1212 O GLU B 45 -0.711 4.589 -8.918 1.00 14.27 O ATOM 1213 CB GLU B 45 -1.542 5.001 -5.635 1.00 23.20 C ATOM 1214 CG GLU B 45 -0.083 5.297 -5.497 1.00 29.75 C ATOM 1215 CD GLU B 45 0.059 6.812 -5.408 1.00 37.05 C ATOM 1216 OE1 GLU B 45 -0.758 7.386 -4.665 1.00 45.38 O ATOM 1217 OE2 GLU B 45 0.896 7.401 -6.097 1.00 43.09 O ATOM 1218 H GLU B 45 -3.903 4.481 -6.436 1.00 0.00 H ATOM 1219 N PHE B 46 -1.953 3.042 -7.856 1.00 11.20 N ATOM 1220 CA PHE B 46 -1.570 1.949 -8.724 1.00 11.10 C ATOM 1221 C PHE B 46 -2.777 1.575 -9.590 1.00 11.43 C ATOM 1222 O PHE B 46 -3.875 1.559 -9.113 1.00 10.31 O ATOM 1223 CB PHE B 46 -1.214 0.709 -7.895 1.00 12.71 C ATOM 1224 CG PHE B 46 0.038 0.863 -7.043 1.00 15.94 C ATOM 1225 CD1 PHE B 46 0.847 1.974 -7.126 1.00 16.79 C ATOM 1226 CD2 PHE B 46 0.481 -0.205 -6.272 1.00 20.72 C ATOM 1227 CE1 PHE B 46 1.988 2.095 -6.363 1.00 20.17 C ATOM 1228 CE2 PHE B 46 1.642 -0.107 -5.527 1.00 25.29 C ATOM 1229 CZ PHE B 46 2.364 1.074 -5.521 1.00 22.03 C ATOM 1230 H PHE B 46 -2.623 2.859 -7.082 1.00 0.00 H ATOM 1231 N VAL B 47 -2.555 1.276 -10.861 1.00 8.72 N ATOM 1232 CA VAL B 47 -3.624 0.825 -11.682 1.00 9.46 C ATOM 1233 C VAL B 47 -3.089 -0.238 -12.692 1.00 9.26 C ATOM 1234 O VAL B 47 -1.966 -0.178 -13.165 1.00 11.26 O ATOM 1235 CB VAL B 47 -4.356 1.994 -12.480 1.00 10.46 C ATOM 1236 CG1 VAL B 47 -3.454 2.693 -13.439 1.00 10.54 C ATOM 1237 CG2 VAL B 47 -5.576 1.434 -13.236 1.00 10.81 C ATOM 1238 H VAL B 47 -1.599 1.371 -11.258 1.00 0.00 H ATOM 1239 N GLY B 48 -3.946 -1.222 -13.000 1.00 8.19 N ATOM 1240 CA GLY B 48 -3.517 -2.311 -13.935 1.00 7.93 C ATOM 1241 C GLY B 48 -4.726 -2.765 -14.700 1.00 8.94 C ATOM 1242 O GLY B 48 -5.881 -2.653 -14.227 1.00 10.02 O ATOM 1243 H GLY B 48 -4.903 -1.229 -12.592 1.00 0.00 H ATOM 1244 N LEU B 49 -4.503 -3.243 -15.906 1.00 8.78 N ATOM 1245 CA LEU B 49 -5.552 -3.862 -16.736 1.00 7.10 C ATOM 1246 C LEU B 49 -5.242 -5.372 -16.836 1.00 8.50 C ATOM 1247 O LEU B 49 -4.123 -5.758 -17.205 1.00 9.93 O ATOM 1248 CB LEU B 49 -5.597 -3.177 -18.132 1.00 8.38 C ATOM 1249 CG LEU B 49 -6.770 -3.690 -18.960 1.00 11.48 C ATOM 1250 CD1 LEU B 49 -8.072 -3.052 -18.477 1.00 13.42 C ATOM 1251 CD2 LEU B 49 -6.500 -3.280 -20.423 1.00 11.65 C ATOM 1252 H LEU B 49 -3.539 -3.181 -16.292 1.00 0.00 H ATOM 1253 N LEU B 50 -6.233 -6.192 -16.478 1.00 8.02 N ATOM 1254 CA LEU B 50 -6.124 -7.667 -16.593 1.00 8.91 C ATOM 1255 C LEU B 50 -7.124 -8.170 -17.597 1.00 8.63 C ATOM 1256 O LEU B 50 -8.194 -7.503 -17.845 1.00 8.19 O ATOM 1257 CB LEU B 50 -6.421 -8.347 -15.257 1.00 8.64 C ATOM 1258 CG LEU B 50 -5.735 -7.706 -14.044 1.00 9.12 C ATOM 1259 CD1 LEU B 50 -6.182 -8.516 -12.793 1.00 9.99 C ATOM 1260 CD2 LEU B 50 -4.159 -7.641 -14.156 1.00 12.27 C ATOM 1261 H LEU B 50 -7.113 -5.782 -16.105 1.00 0.00 H ATOM 1262 N ASP B 51 -6.852 -9.327 -18.184 1.00 8.39 N ATOM 1263 CA ASP B 51 -7.924 -10.011 -18.938 1.00 9.52 C ATOM 1264 C ASP B 51 -8.907 -10.632 -17.955 1.00 11.72 C ATOM 1265 O ASP B 51 -8.734 -10.546 -16.725 1.00 12.51 O ATOM 1266 CB ASP B 51 -7.369 -10.941 -20.017 1.00 11.22 C ATOM 1267 CG ASP B 51 -6.846 -12.236 -19.503 1.00 14.81 C ATOM 1268 OD1 ASP B 51 -6.985 -12.584 -18.268 1.00 17.29 O ATOM 1269 OD2 ASP B 51 -6.300 -12.979 -20.361 1.00 19.27 O ATOM 1270 H ASP B 51 -5.902 -9.746 -18.115 1.00 0.00 H ATOM 1271 N ALA B 52 -9.973 -11.224 -18.475 1.00 13.47 N ATOM 1272 CA ALA B 52 -10.993 -11.843 -17.681 1.00 16.11 C ATOM 1273 C ALA B 52 -10.494 -12.995 -16.797 1.00 14.17 C ATOM 1274 O ALA B 52 -11.138 -13.353 -15.826 1.00 23.99 O ATOM 1275 CB ALA B 52 -12.075 -12.302 -18.645 1.00 19.16 C ATOM 1276 H ALA B 52 -10.074 -11.240 -19.510 1.00 0.00 H ATOM 1277 N HIS B 53 -9.338 -13.577 -17.118 1.00 13.22 N ATOM 1278 CA HIS B 53 -8.811 -14.698 -16.313 1.00 15.58 C ATOM 1279 C HIS B 53 -7.736 -14.211 -15.334 1.00 13.71 C ATOM 1280 O HIS B 53 -7.009 -15.010 -14.662 1.00 16.05 O ATOM 1281 CB HIS B 53 -8.273 -15.797 -17.298 1.00 20.18 C ATOM 1282 CG HIS B 53 -9.353 -16.481 -18.113 1.00 28.75 C ATOM 1283 ND1 HIS B 53 -9.753 -16.056 -19.368 1.00 39.79 N ATOM 1284 CD2 HIS B 53 -10.112 -17.567 -17.840 1.00 30.88 C ATOM 1285 CE1 HIS B 53 -10.691 -16.865 -19.837 1.00 31.72 C ATOM 1286 NE2 HIS B 53 -10.926 -17.791 -18.933 1.00 32.89 N ATOM 1287 H HIS B 53 -8.802 -13.239 -17.943 1.00 0.00 H ATOM 1288 N GLY B 54 -7.527 -12.874 -15.307 1.00 13.24 N ATOM 1289 CA GLY B 54 -6.465 -12.277 -14.492 1.00 12.43 C ATOM 1290 C GLY B 54 -5.057 -12.173 -15.057 1.00 9.24 C ATOM 1291 O GLY B 54 -4.177 -11.717 -14.380 1.00 11.52 O ATOM 1292 H GLY B 54 -8.136 -12.254 -15.879 1.00 0.00 H ATOM 1293 N ASN B 55 -4.868 -12.476 -16.324 1.00 9.72 N ATOM 1294 CA ASN B 55 -3.536 -12.275 -16.930 1.00 9.00 C ATOM 1295 C ASN B 55 -3.258 -10.789 -17.061 1.00 8.31 C ATOM 1296 O ASN B 55 -4.108 -9.958 -17.411 1.00 10.28 O ATOM 1297 CB ASN B 55 -3.399 -12.953 -18.282 1.00 11.28 C ATOM 1298 CG ASN B 55 -3.707 -14.450 -18.204 1.00 16.80 C ATOM 1299 OD1 ASN B 55 -4.652 -14.967 -18.829 1.00 24.33 O ATOM 1300 ND2 ASN B 55 -2.934 -15.137 -17.437 1.00 17.07 N ATOM 1301 HD22 ASN B 55 -2.155 -14.670 -16.931 1.00 0.00 H ATOM 1302 HD21 ASN B 55 -3.089 -16.159 -17.323 1.00 0.00 H ATOM 1303 H ASN B 55 -5.651 -12.854 -16.894 1.00 0.00 H ATOM 1304 N VAL B 56 -2.023 -10.432 -16.806 1.00 8.66 N ATOM 1305 CA VAL B 56 -1.665 -8.999 -16.803 1.00 7.76 C ATOM 1306 C VAL B 56 -1.502 -8.465 -18.250 1.00 9.36 C ATOM 1307 O VAL B 56 -0.758 -9.010 -19.047 1.00 11.02 O ATOM 1308 CB VAL B 56 -0.377 -8.766 -16.070 1.00 9.10 C ATOM 1309 CG1 VAL B 56 0.089 -7.265 -16.193 1.00 11.98 C ATOM 1310 CG2 VAL B 56 -0.518 -9.233 -14.568 1.00 9.19 C ATOM 1311 H VAL B 56 -1.300 -11.153 -16.607 1.00 0.00 H ATOM 1312 N LEU B 57 -2.203 -7.367 -18.528 1.00 9.19 N ATOM 1313 CA LEU B 57 -2.102 -6.679 -19.834 1.00 9.60 C ATOM 1314 C LEU B 57 -1.319 -5.364 -19.722 1.00 11.09 C ATOM 1315 O LEU B 57 -0.474 -5.095 -20.615 1.00 12.89 O ATOM 1316 CB LEU B 57 -3.514 -6.419 -20.353 1.00 10.67 C ATOM 1317 CG LEU B 57 -4.357 -7.703 -20.524 1.00 12.80 C ATOM 1318 CD1 LEU B 57 -5.767 -7.343 -21.035 1.00 14.08 C ATOM 1319 CD2 LEU B 57 -3.700 -8.761 -21.434 1.00 16.67 C ATOM 1320 H LEU B 57 -2.842 -6.981 -17.804 1.00 0.00 H ATOM 1321 N GLU B 58 -1.686 -4.492 -18.724 1.00 9.20 N ATOM 1322 CA GLU B 58 -0.984 -3.220 -18.586 1.00 10.82 C ATOM 1323 C GLU B 58 -0.889 -2.918 -17.108 1.00 10.74 C ATOM 1324 O GLU B 58 -1.793 -3.308 -16.318 1.00 9.48 O ATOM 1325 CB GLU B 58 -1.863 -2.114 -19.190 1.00 12.11 C ATOM 1326 CG GLU B 58 -2.364 -2.203 -20.632 1.00 14.01 C ATOM 1327 CD GLU B 58 -1.212 -2.242 -21.677 1.00 17.55 C ATOM 1328 OE1 GLU B 58 -0.120 -1.666 -21.402 1.00 18.10 O ATOM 1329 OE2 GLU B 58 -1.404 -2.819 -22.794 1.00 19.52 O ATOM 1330 H GLU B 58 -2.458 -4.737 -18.072 1.00 0.00 H ATOM 1331 N VAL B 59 0.169 -2.194 -16.706 1.00 9.35 N ATOM 1332 CA VAL B 59 0.285 -1.744 -15.296 1.00 8.74 C ATOM 1333 C VAL B 59 0.982 -0.405 -15.331 1.00 10.02 C ATOM 1334 O VAL B 59 1.914 -0.199 -16.153 1.00 12.86 O ATOM 1335 CB VAL B 59 1.156 -2.730 -14.441 1.00 10.98 C ATOM 1336 CG1 VAL B 59 1.382 -2.183 -13.039 1.00 12.11 C ATOM 1337 CG2 VAL B 59 0.480 -4.122 -14.412 1.00 13.53 C ATOM 1338 H VAL B 59 0.913 -1.947 -17.389 1.00 0.00 H ATOM 1339 N ASN B 60 0.543 0.531 -14.491 1.00 8.95 N ATOM 1340 CA ASN B 60 1.213 1.849 -14.538 1.00 10.65 C ATOM 1341 C ASN B 60 2.632 1.811 -13.943 1.00 11.72 C ATOM 1342 O ASN B 60 3.023 0.922 -13.147 1.00 11.22 O ATOM 1343 CB ASN B 60 0.307 2.938 -13.967 1.00 12.30 C ATOM 1344 CG ASN B 60 0.154 2.889 -12.447 1.00 13.94 C ATOM 1345 OD1 ASN B 60 0.304 1.869 -11.841 1.00 14.72 O ATOM 1346 ND2 ASN B 60 -0.151 4.027 -11.828 1.00 14.10 N ATOM 1347 HD22 ASN B 60 -0.276 4.901 -12.378 1.00 0.00 H ATOM 1348 HD21 ASN B 60 -0.264 4.043 -10.794 1.00 0.00 H ATOM 1349 H ASN B 60 -0.238 0.343 -13.830 1.00 0.00 H ATOM 1350 N GLN B 61 3.446 2.758 -14.348 1.00 13.43 N ATOM 1351 CA GLN B 61 4.808 2.819 -13.885 1.00 14.22 C ATOM 1352 C GLN B 61 4.975 2.980 -12.375 1.00 12.82 C ATOM 1353 O GLN B 61 5.871 2.380 -11.801 1.00 14.44 O ATOM 1354 CB GLN B 61 5.575 3.903 -14.632 1.00 16.79 C ATOM 1355 CG GLN B 61 5.803 3.441 -16.071 1.00 23.73 C ATOM 1356 CD GLN B 61 6.610 4.445 -16.887 1.00 26.82 C ATOM 1357 OE1 GLN B 61 6.123 5.565 -17.152 1.00 40.59 O ATOM 1358 NE2 GLN B 61 7.874 4.085 -17.223 1.00 27.64 N ATOM 1359 HE22 GLN B 61 8.228 3.138 -16.977 1.00 0.00 H ATOM 1360 HE21 GLN B 61 8.489 4.756 -17.727 1.00 0.00 H ATOM 1361 H GLN B 61 3.101 3.477 -15.015 1.00 0.00 H ATOM 1362 N VAL B 62 4.094 3.726 -11.725 1.00 14.23 N ATOM 1363 CA VAL B 62 4.151 3.881 -10.261 1.00 16.44 C ATOM 1364 C VAL B 62 4.085 2.494 -9.578 1.00 13.54 C ATOM 1365 O VAL B 62 4.846 2.208 -8.649 1.00 13.53 O ATOM 1366 CB VAL B 62 2.983 4.828 -9.829 1.00 23.69 C ATOM 1367 CG1 VAL B 62 2.853 4.902 -8.324 1.00 25.26 C ATOM 1368 CG2 VAL B 62 3.191 6.226 -10.414 1.00 23.13 C ATOM 1369 H VAL B 62 3.346 4.213 -12.260 1.00 0.00 H ATOM 1370 N ALA B 63 3.232 1.604 -10.094 1.00 11.80 N ATOM 1371 CA ALA B 63 3.086 0.273 -9.447 1.00 10.62 C ATOM 1372 C ALA B 63 4.335 -0.601 -9.715 1.00 9.27 C ATOM 1373 O ALA B 63 4.841 -1.300 -8.833 1.00 12.36 O ATOM 1374 CB ALA B 63 1.843 -0.401 -9.897 1.00 11.41 C ATOM 1375 H ALA B 63 2.675 1.840 -10.940 1.00 0.00 H ATOM 1376 N LEU B 64 4.856 -0.532 -10.951 1.00 10.60 N ATOM 1377 CA LEU B 64 6.045 -1.322 -11.343 1.00 10.81 C ATOM 1378 C LEU B 64 7.230 -0.853 -10.521 1.00 11.37 C ATOM 1379 O LEU B 64 7.949 -1.697 -9.976 1.00 12.98 O ATOM 1380 CB LEU B 64 6.303 -1.178 -12.854 1.00 13.78 C ATOM 1381 CG LEU B 64 5.227 -1.789 -13.777 1.00 13.70 C ATOM 1382 CD1 LEU B 64 5.573 -1.371 -15.227 1.00 15.37 C ATOM 1383 CD2 LEU B 64 5.205 -3.297 -13.684 1.00 10.59 C ATOM 1384 H LEU B 64 4.412 0.094 -11.652 1.00 0.00 H ATOM 1385 N GLU B 65 7.437 0.461 -10.437 1.00 13.35 N ATOM 1386 CA GLU B 65 8.614 1.003 -9.685 1.00 15.03 C ATOM 1387 C GLU B 65 8.527 0.666 -8.196 1.00 14.25 C ATOM 1388 O GLU B 65 9.526 0.251 -7.567 1.00 16.27 O ATOM 1389 CB GLU B 65 8.649 2.505 -9.917 1.00 21.47 C ATOM 1390 CG GLU B 65 9.128 2.830 -11.328 1.00 29.56 C ATOM 1391 CD GLU B 65 9.456 4.323 -11.495 1.00 51.72 C ATOM 1392 OE1 GLU B 65 10.017 4.928 -10.530 1.00 52.45 O ATOM 1393 OE2 GLU B 65 9.108 4.874 -12.576 1.00 53.53 O ATOM 1394 H GLU B 65 6.775 1.117 -10.898 1.00 0.00 H ATOM 1395 N GLY B 66 7.324 0.780 -7.651 1.00 13.47 N ATOM 1396 CA GLY B 66 7.039 0.445 -6.246 1.00 14.21 C ATOM 1397 C GLY B 66 7.390 -0.992 -5.908 1.00 15.83 C ATOM 1398 O GLY B 66 7.890 -1.248 -4.808 1.00 14.73 O ATOM 1399 H GLY B 66 6.543 1.123 -8.245 1.00 0.00 H ATOM 1400 N GLY B 67 7.130 -1.933 -6.847 1.00 11.94 N ATOM 1401 CA GLY B 67 7.430 -3.318 -6.584 1.00 10.67 C ATOM 1402 C GLY B 67 8.792 -3.779 -7.014 1.00 11.56 C ATOM 1403 O GLY B 67 9.169 -4.928 -6.819 1.00 13.53 O ATOM 1404 H GLY B 67 6.713 -1.656 -7.759 1.00 0.00 H ATOM 1405 N GLY B 68 9.486 -2.908 -7.720 1.00 12.08 N ATOM 1406 CA GLY B 68 10.764 -3.325 -8.376 1.00 12.76 C ATOM 1407 C GLY B 68 10.551 -4.403 -9.442 1.00 15.02 C ATOM 1408 O GLY B 68 11.427 -5.266 -9.613 1.00 19.63 O ATOM 1409 H GLY B 68 9.145 -1.931 -7.821 1.00 0.00 H ATOM 1410 N ILE B 69 9.427 -4.307 -10.155 1.00 13.48 N ATOM 1411 CA ILE B 69 8.932 -5.348 -11.082 1.00 13.78 C ATOM 1412 C ILE B 69 8.957 -4.780 -12.532 1.00 15.06 C ATOM 1413 O ILE B 69 8.618 -3.610 -12.726 1.00 15.20 O ATOM 1414 CB ILE B 69 7.433 -5.660 -10.773 1.00 13.45 C ATOM 1415 CG1 ILE B 69 7.340 -6.345 -9.425 1.00 16.94 C ATOM 1416 CG2 ILE B 69 6.803 -6.576 -11.856 1.00 16.40 C ATOM 1417 CD1 ILE B 69 5.919 -6.463 -8.865 1.00 20.07 C ATOM 1418 H ILE B 69 8.860 -3.441 -10.052 1.00 0.00 H ATOM 1419 N THR B 70 9.282 -5.614 -13.521 1.00 17.87 N ATOM 1420 CA THR B 70 9.207 -5.157 -14.951 1.00 16.77 C ATOM 1421 C THR B 70 7.995 -5.773 -15.622 1.00 17.19 C ATOM 1422 O THR B 70 7.620 -6.880 -15.296 1.00 15.70 O ATOM 1423 CB THR B 70 10.447 -5.535 -15.750 1.00 20.75 C ATOM 1424 OG1 THR B 70 10.540 -6.973 -15.844 1.00 21.81 O ATOM 1425 CG2 THR B 70 11.759 -4.957 -15.030 1.00 20.35 C ATOM 1426 HG1 THR B 70 11.347 -7.217 -16.364 1.00 0.00 H ATOM 1427 H THR B 70 9.588 -6.583 -13.302 1.00 0.00 H HETATM 1428 N MSE B 71 7.475 -5.097 -16.670 1.00 15.85 N HETATM 1429 CA MSE B 71 6.407 -5.692 -17.494 1.00 14.94 C HETATM 1430 C MSE B 71 6.812 -7.013 -18.032 1.00 16.60 C HETATM 1431 O MSE B 71 6.033 -7.946 -18.106 1.00 19.41 O HETATM 1432 CB MSE B 71 5.962 -4.792 -18.667 1.00 20.84 C HETATM 1433 CG MSE B 71 5.005 -3.666 -18.351 1.00 32.55 C HETATM 1434 SE MSE B 71 3.395 -4.363 -17.378 1.00 38.82 S HETATM 1435 CE MSE B 71 2.601 -5.558 -18.690 1.00 30.08 C HETATM 1436 H MSE B 71 7.832 -4.147 -16.898 1.00 0.00 H ATOM 1437 N GLU B 72 8.043 -7.119 -18.475 1.00 17.33 N ATOM 1438 CA GLU B 72 8.506 -8.330 -19.046 1.00 17.99 C ATOM 1439 C GLU B 72 8.334 -9.513 -18.078 1.00 22.09 C ATOM 1440 O GLU B 72 8.078 -10.633 -18.491 1.00 20.96 O ATOM 1441 CB GLU B 72 9.916 -8.142 -19.595 1.00 21.89 C ATOM 1442 CG GLU B 72 10.542 -9.459 -19.968 1.00 24.90 C ATOM 1443 CD GLU B 72 11.847 -9.326 -20.781 1.00 37.78 C ATOM 1444 OE1 GLU B 72 12.252 -8.209 -21.190 1.00 31.96 O ATOM 1445 OE2 GLU B 72 12.467 -10.389 -20.992 1.00 47.49 O ATOM 1446 H GLU B 72 8.686 -6.304 -18.406 1.00 0.00 H ATOM 1447 N GLU B 73 8.441 -9.276 -16.777 1.00 16.18 N ATOM 1448 CA GLU B 73 8.307 -10.403 -15.820 1.00 15.27 C ATOM 1449 C GLU B 73 6.865 -10.833 -15.591 1.00 14.84 C ATOM 1450 O GLU B 73 6.600 -11.966 -15.147 1.00 16.01 O ATOM 1451 CB GLU B 73 8.900 -10.050 -14.456 1.00 24.06 C ATOM 1452 CG GLU B 73 10.351 -9.607 -14.522 1.00 31.07 C ATOM 1453 CD GLU B 73 10.841 -9.128 -13.173 1.00 32.52 C ATOM 1454 OE1 GLU B 73 10.277 -8.168 -12.574 1.00 22.96 O ATOM 1455 OE2 GLU B 73 11.815 -9.742 -12.712 1.00 49.56 O ATOM 1456 H GLU B 73 8.617 -8.311 -16.431 1.00 0.00 H ATOM 1457 N ILE B 74 5.912 -9.930 -15.799 1.00 11.92 N ATOM 1458 CA ILE B 74 4.554 -10.223 -15.378 1.00 10.07 C ATOM 1459 C ILE B 74 3.531 -10.217 -16.545 1.00 9.78 C ATOM 1460 O ILE B 74 2.445 -10.773 -16.383 1.00 9.77 O ATOM 1461 CB ILE B 74 4.041 -9.224 -14.331 1.00 11.07 C ATOM 1462 CG1 ILE B 74 4.050 -7.796 -14.882 1.00 11.82 C ATOM 1463 CG2 ILE B 74 4.932 -9.321 -13.055 1.00 14.05 C ATOM 1464 CD1 ILE B 74 3.396 -6.815 -13.909 1.00 14.16 C ATOM 1465 H ILE B 74 6.137 -9.024 -16.258 1.00 0.00 H ATOM 1466 N ARG B 75 3.892 -9.665 -17.701 1.00 9.84 N ATOM 1467 CA ARG B 75 2.893 -9.591 -18.815 1.00 9.91 C ATOM 1468 C ARG B 75 2.438 -10.979 -19.225 1.00 10.38 C ATOM 1469 O ARG B 75 3.309 -11.876 -19.420 1.00 11.84 O ATOM 1470 CB ARG B 75 3.503 -8.872 -20.014 1.00 11.42 C ATOM 1471 CG ARG B 75 2.514 -8.629 -21.194 1.00 13.69 C ATOM 1472 CD ARG B 75 3.097 -7.904 -22.455 1.00 18.80 C ATOM 1473 NE ARG B 75 4.007 -6.773 -22.293 1.00 27.43 N ATOM 1474 CZ ARG B 75 3.624 -5.484 -22.209 1.00 34.64 C ATOM 1475 NH1 ARG B 75 2.331 -5.133 -22.171 1.00 33.81 N ATOM 1476 NH2 ARG B 75 4.535 -4.542 -22.095 1.00 36.22 N ATOM 1477 HE ARG B 75 5.025 -6.978 -22.238 1.00 0.00 H ATOM 1478 HH12 ARG B 75 2.066 -4.129 -22.106 1.00 0.00 H ATOM 1479 HH11 ARG B 75 1.592 -5.864 -22.206 1.00 0.00 H ATOM 1480 HH22 ARG B 75 4.247 -3.545 -22.030 1.00 0.00 H ATOM 1481 HH21 ARG B 75 5.544 -4.794 -22.070 1.00 0.00 H ATOM 1482 H ARG B 75 4.854 -9.290 -17.829 1.00 0.00 H ATOM 1483 N GLY B 76 1.111 -11.146 -19.332 1.00 8.62 N ATOM 1484 CA GLY B 76 0.544 -12.394 -19.817 1.00 9.67 C ATOM 1485 C GLY B 76 0.560 -13.540 -18.883 1.00 11.21 C ATOM 1486 O GLY B 76 0.352 -14.708 -19.299 1.00 11.45 O ATOM 1487 H GLY B 76 0.476 -10.368 -19.063 1.00 0.00 H ATOM 1488 N LYS B 77 0.795 -13.227 -17.601 1.00 9.80 N ATOM 1489 CA LYS B 77 0.854 -14.258 -16.548 1.00 10.65 C ATOM 1490 C LYS B 77 -0.113 -13.779 -15.458 1.00 10.67 C ATOM 1491 O LYS B 77 -0.477 -12.569 -15.377 1.00 10.46 O ATOM 1492 CB LYS B 77 2.279 -14.386 -15.971 1.00 10.20 C ATOM 1493 CG LYS B 77 3.277 -14.930 -17.011 1.00 14.32 C ATOM 1494 CD LYS B 77 4.714 -14.586 -16.566 1.00 19.55 C ATOM 1495 CE LYS B 77 5.788 -14.931 -17.646 1.00 25.30 C ATOM 1496 NZ LYS B 77 5.496 -16.330 -17.888 1.00 32.33 N ATOM 1497 HZ1 LYS B 77 5.609 -16.865 -17.003 1.00 0.00 H ATOM 1498 HZ2 LYS B 77 4.518 -16.425 -18.229 1.00 0.00 H ATOM 1499 HZ3 LYS B 77 6.152 -16.701 -18.605 1.00 0.00 H ATOM 1500 H LYS B 77 0.940 -12.230 -17.342 1.00 0.00 H ATOM 1501 N PRO B 78 -0.590 -14.723 -14.612 1.00 10.71 N ATOM 1502 CA PRO B 78 -1.671 -14.316 -13.694 1.00 10.03 C ATOM 1503 C PRO B 78 -1.233 -13.185 -12.778 1.00 9.56 C ATOM 1504 O PRO B 78 -0.122 -13.229 -12.221 1.00 10.33 O ATOM 1505 CB PRO B 78 -1.963 -15.590 -12.852 1.00 10.91 C ATOM 1506 CG PRO B 78 -1.454 -16.696 -13.785 1.00 12.91 C ATOM 1507 CD PRO B 78 -0.273 -16.166 -14.568 1.00 13.72 C ATOM 1508 N PHE B 79 -2.149 -12.249 -12.496 1.00 9.26 N ATOM 1509 CA PHE B 79 -1.800 -11.163 -11.619 1.00 7.80 C ATOM 1510 C PHE B 79 -1.343 -11.612 -10.227 1.00 7.72 C ATOM 1511 O PHE B 79 -0.401 -11.020 -9.685 1.00 8.56 O ATOM 1512 CB PHE B 79 -3.023 -10.228 -11.538 1.00 8.27 C ATOM 1513 CG PHE B 79 -2.834 -8.941 -10.768 1.00 8.46 C ATOM 1514 CD1 PHE B 79 -1.785 -8.037 -11.026 1.00 7.47 C ATOM 1515 CD2 PHE B 79 -3.799 -8.630 -9.840 1.00 9.86 C ATOM 1516 CE1 PHE B 79 -1.794 -6.767 -10.423 1.00 8.88 C ATOM 1517 CE2 PHE B 79 -3.782 -7.395 -9.166 1.00 8.99 C ATOM 1518 CZ PHE B 79 -2.739 -6.473 -9.431 1.00 8.61 C ATOM 1519 H PHE B 79 -3.103 -12.307 -12.907 1.00 0.00 H ATOM 1520 N TRP B 80 -1.946 -12.674 -9.722 1.00 7.98 N ATOM 1521 CA TRP B 80 -1.614 -13.152 -8.365 1.00 8.22 C ATOM 1522 C TRP B 80 -0.202 -13.707 -8.249 1.00 9.42 C ATOM 1523 O TRP B 80 0.298 -13.863 -7.136 1.00 10.48 O ATOM 1524 CB TRP B 80 -2.664 -14.126 -7.804 1.00 9.78 C ATOM 1525 CG TRP B 80 -2.834 -15.386 -8.566 1.00 8.85 C ATOM 1526 CD1 TRP B 80 -2.038 -16.539 -8.496 1.00 10.94 C ATOM 1527 CD2 TRP B 80 -3.775 -15.605 -9.613 1.00 10.05 C ATOM 1528 NE1 TRP B 80 -2.536 -17.501 -9.413 1.00 11.80 N ATOM 1529 CE2 TRP B 80 -3.553 -16.931 -10.129 1.00 11.10 C ATOM 1530 CE3 TRP B 80 -4.774 -14.793 -10.207 1.00 11.15 C ATOM 1531 CZ2 TRP B 80 -4.369 -17.489 -11.119 1.00 11.92 C ATOM 1532 CZ3 TRP B 80 -5.596 -15.365 -11.288 1.00 11.72 C ATOM 1533 CH2 TRP B 80 -5.341 -16.689 -11.717 1.00 11.30 C ATOM 1534 HE1 TRP B 80 -2.187 -18.475 -9.522 1.00 0.00 H ATOM 1535 H TRP B 80 -2.661 -13.177 -10.285 1.00 0.00 H ATOM 1536 N LYS B 81 0.392 -14.063 -9.374 1.00 8.53 N ATOM 1537 CA LYS B 81 1.766 -14.558 -9.379 1.00 9.02 C ATOM 1538 C LYS B 81 2.816 -13.415 -9.312 1.00 8.47 C ATOM 1539 O LYS B 81 3.973 -13.641 -9.042 1.00 11.08 O ATOM 1540 CB LYS B 81 2.065 -15.403 -10.653 1.00 11.43 C ATOM 1541 CG LYS B 81 1.249 -16.694 -10.728 1.00 14.00 C ATOM 1542 CD LYS B 81 1.543 -17.637 -9.590 1.00 19.22 C ATOM 1543 CE LYS B 81 2.964 -18.195 -9.639 1.00 30.74 C ATOM 1544 NZ LYS B 81 3.159 -19.270 -8.595 1.00 48.88 N ATOM 1545 HZ1 LYS B 81 2.990 -18.869 -7.650 1.00 0.00 H ATOM 1546 HZ2 LYS B 81 2.489 -20.046 -8.769 1.00 0.00 H ATOM 1547 HZ3 LYS B 81 4.132 -19.632 -8.650 1.00 0.00 H ATOM 1548 H LYS B 81 -0.128 -13.989 -10.272 1.00 0.00 H ATOM 1549 N ALA B 82 2.394 -12.187 -9.596 1.00 8.54 N ATOM 1550 CA ALA B 82 3.345 -11.056 -9.549 1.00 8.90 C ATOM 1551 C ALA B 82 3.793 -10.751 -8.117 1.00 8.24 C ATOM 1552 O ALA B 82 3.077 -11.068 -7.160 1.00 9.69 O ATOM 1553 CB ALA B 82 2.677 -9.851 -10.200 1.00 9.66 C ATOM 1554 H ALA B 82 1.399 -12.022 -9.850 1.00 0.00 H ATOM 1555 N ARG B 83 4.993 -10.184 -8.029 1.00 8.81 N ATOM 1556 CA ARG B 83 5.681 -10.139 -6.718 1.00 11.12 C ATOM 1557 C ARG B 83 4.945 -9.307 -5.689 1.00 8.47 C ATOM 1558 O ARG B 83 5.118 -9.573 -4.489 1.00 10.21 O ATOM 1559 CB ARG B 83 7.139 -9.614 -6.928 1.00 11.59 C ATOM 1560 CG ARG B 83 8.084 -9.993 -5.722 1.00 9.75 C ATOM 1561 CD ARG B 83 9.461 -9.447 -6.092 1.00 10.74 C ATOM 1562 NE ARG B 83 10.461 -9.710 -5.048 1.00 12.36 N ATOM 1563 CZ ARG B 83 10.566 -8.968 -3.951 1.00 14.35 C ATOM 1564 NH1 ARG B 83 9.736 -7.905 -3.758 1.00 12.65 N ATOM 1565 NH2 ARG B 83 11.505 -9.282 -3.057 1.00 16.42 N ATOM 1566 HE ARG B 83 11.114 -10.510 -5.173 1.00 0.00 H ATOM 1567 HH12 ARG B 83 9.822 -7.327 -2.897 1.00 0.00 H ATOM 1568 HH11 ARG B 83 9.016 -7.671 -4.471 1.00 0.00 H ATOM 1569 HH22 ARG B 83 11.607 -8.717 -2.190 1.00 0.00 H ATOM 1570 HH21 ARG B 83 12.135 -10.092 -3.227 1.00 0.00 H ATOM 1571 H ARG B 83 5.444 -9.776 -8.873 1.00 0.00 H ATOM 1572 N TRP B 84 4.093 -8.315 -6.087 1.00 9.20 N ATOM 1573 CA TRP B 84 3.415 -7.543 -5.093 1.00 8.05 C ATOM 1574 C TRP B 84 2.655 -8.472 -4.121 1.00 8.26 C ATOM 1575 O TRP B 84 2.523 -8.112 -2.928 1.00 7.75 O ATOM 1576 CB TRP B 84 2.295 -6.660 -5.672 1.00 8.72 C ATOM 1577 CG TRP B 84 2.797 -5.597 -6.662 1.00 8.53 C ATOM 1578 CD1 TRP B 84 3.506 -4.474 -6.390 1.00 10.63 C ATOM 1579 CD2 TRP B 84 2.596 -5.614 -8.093 1.00 8.57 C ATOM 1580 NE1 TRP B 84 3.762 -3.731 -7.546 1.00 10.90 N ATOM 1581 CE2 TRP B 84 3.204 -4.432 -8.616 1.00 9.47 C ATOM 1582 CE3 TRP B 84 1.996 -6.523 -8.954 1.00 10.40 C ATOM 1583 CZ2 TRP B 84 3.214 -4.123 -10.022 1.00 9.16 C ATOM 1584 CZ3 TRP B 84 1.988 -6.279 -10.345 1.00 9.64 C ATOM 1585 CH2 TRP B 84 2.603 -5.035 -10.871 1.00 11.01 C ATOM 1586 HE1 TRP B 84 4.272 -2.826 -7.599 1.00 0.00 H ATOM 1587 H TRP B 84 3.940 -8.125 -7.098 1.00 0.00 H ATOM 1588 N TRP B 85 2.153 -9.594 -4.686 1.00 8.38 N ATOM 1589 CA TRP B 85 1.248 -10.472 -3.914 1.00 9.23 C ATOM 1590 C TRP B 85 1.909 -11.610 -3.163 1.00 9.12 C ATOM 1591 O TRP B 85 1.245 -12.548 -2.681 1.00 10.38 O ATOM 1592 CB TRP B 85 0.118 -11.023 -4.859 1.00 8.32 C ATOM 1593 CG TRP B 85 -0.519 -9.847 -5.588 1.00 7.37 C ATOM 1594 CD1 TRP B 85 -0.394 -9.524 -6.917 1.00 9.27 C ATOM 1595 CD2 TRP B 85 -1.323 -8.840 -4.991 1.00 6.97 C ATOM 1596 NE1 TRP B 85 -1.104 -8.331 -7.183 1.00 9.42 N ATOM 1597 CE2 TRP B 85 -1.691 -7.925 -6.006 1.00 8.27 C ATOM 1598 CE3 TRP B 85 -1.836 -8.662 -3.669 1.00 9.23 C ATOM 1599 CZ2 TRP B 85 -2.487 -6.790 -5.742 1.00 7.97 C ATOM 1600 CZ3 TRP B 85 -2.683 -7.576 -3.438 1.00 10.68 C ATOM 1601 CH2 TRP B 85 -2.935 -6.631 -4.450 1.00 7.88 C ATOM 1602 HE1 TRP B 85 -1.171 -7.848 -8.101 1.00 0.00 H ATOM 1603 H TRP B 85 2.404 -9.839 -5.665 1.00 0.00 H ATOM 1604 N GLN B 86 3.234 -11.599 -3.134 1.00 9.08 N ATOM 1605 CA GLN B 86 3.979 -12.796 -2.740 1.00 9.18 C ATOM 1606 C GLN B 86 4.429 -12.803 -1.288 1.00 8.99 C ATOM 1607 O GLN B 86 5.329 -13.566 -0.957 1.00 10.23 O ATOM 1608 CB GLN B 86 5.149 -13.027 -3.716 1.00 12.00 C ATOM 1609 CG GLN B 86 4.717 -13.439 -5.165 1.00 12.56 C ATOM 1610 CD GLN B 86 3.888 -14.751 -5.170 1.00 13.23 C ATOM 1611 OE1 GLN B 86 4.313 -15.774 -4.591 1.00 16.93 O ATOM 1612 NE2 GLN B 86 2.697 -14.721 -5.747 1.00 16.08 N ATOM 1613 HE22 GLN B 86 2.371 -13.855 -6.221 1.00 0.00 H ATOM 1614 HE21 GLN B 86 2.088 -15.564 -5.726 1.00 0.00 H ATOM 1615 H GLN B 86 3.749 -10.733 -3.393 1.00 0.00 H ATOM 1616 N ILE B 87 3.855 -11.969 -0.395 1.00 8.10 N ATOM 1617 CA ILE B 87 4.198 -12.101 1.039 1.00 8.96 C ATOM 1618 C ILE B 87 4.108 -13.568 1.545 1.00 9.47 C ATOM 1619 O ILE B 87 4.989 -14.029 2.305 1.00 11.57 O ATOM 1620 CB ILE B 87 3.330 -11.162 1.840 1.00 9.18 C ATOM 1621 CG1 ILE B 87 3.927 -9.736 1.692 1.00 10.17 C ATOM 1622 CG2 ILE B 87 3.346 -11.545 3.356 1.00 10.42 C ATOM 1623 CD1 ILE B 87 3.075 -8.592 2.282 1.00 10.12 C ATOM 1624 H ILE B 87 3.180 -11.243 -0.710 1.00 0.00 H ATOM 1625 N SER B 88 3.055 -14.283 1.170 1.00 9.11 N ATOM 1626 CA SER B 88 2.854 -15.640 1.624 1.00 8.93 C ATOM 1627 C SER B 88 1.950 -16.424 0.628 1.00 10.03 C ATOM 1628 O SER B 88 1.337 -15.811 -0.237 1.00 10.30 O ATOM 1629 CB SER B 88 2.188 -15.627 3.029 1.00 10.27 C ATOM 1630 OG SER B 88 0.852 -15.158 2.968 1.00 10.98 O ATOM 1631 HG SER B 88 0.460 -15.163 3.877 1.00 0.00 H ATOM 1632 H SER B 88 2.355 -13.855 0.531 1.00 0.00 H ATOM 1633 N LYS B 89 1.804 -17.735 0.864 1.00 8.85 N ATOM 1634 CA LYS B 89 0.827 -18.485 0.077 1.00 10.63 C ATOM 1635 C LYS B 89 -0.565 -17.930 0.339 1.00 9.27 C ATOM 1636 O LYS B 89 -1.450 -17.895 -0.609 1.00 11.12 O ATOM 1637 CB LYS B 89 0.907 -19.973 0.425 1.00 13.55 C ATOM 1638 CG LYS B 89 2.221 -20.594 -0.086 1.00 20.76 C ATOM 1639 CD LYS B 89 2.224 -20.643 -1.591 1.00 23.07 C ATOM 1640 CE LYS B 89 3.510 -20.031 -2.125 1.00 36.36 C ATOM 1641 NZ LYS B 89 3.663 -20.460 -3.544 1.00 75.66 N ATOM 1642 HZ1 LYS B 89 3.711 -21.498 -3.588 1.00 0.00 H ATOM 1643 HZ2 LYS B 89 2.847 -20.126 -4.096 1.00 0.00 H ATOM 1644 HZ3 LYS B 89 4.537 -20.054 -3.935 1.00 0.00 H ATOM 1645 H LYS B 89 2.375 -18.209 1.593 1.00 0.00 H ATOM 1646 N LYS B 90 -0.813 -17.437 1.553 1.00 9.75 N ATOM 1647 CA LYS B 90 -2.137 -16.855 1.866 1.00 10.29 C ATOM 1648 C LYS B 90 -2.417 -15.587 1.104 1.00 9.68 C ATOM 1649 O LYS B 90 -3.451 -15.476 0.497 1.00 9.75 O ATOM 1650 CB LYS B 90 -2.286 -16.613 3.379 1.00 11.95 C ATOM 1651 CG LYS B 90 -3.711 -16.162 3.808 1.00 16.17 C ATOM 1652 CD LYS B 90 -3.793 -15.920 5.320 1.00 17.14 C ATOM 1653 CE LYS B 90 -5.212 -15.411 5.694 1.00 23.90 C ATOM 1654 NZ LYS B 90 -5.474 -15.367 7.160 1.00 28.70 N ATOM 1655 HZ1 LYS B 90 -5.376 -16.323 7.557 1.00 0.00 H ATOM 1656 HZ2 LYS B 90 -4.789 -14.730 7.614 1.00 0.00 H ATOM 1657 HZ3 LYS B 90 -6.439 -15.018 7.328 1.00 0.00 H ATOM 1658 H LYS B 90 -0.073 -17.462 2.283 1.00 0.00 H ATOM 1659 N THR B 91 -1.449 -14.644 1.057 1.00 10.20 N ATOM 1660 CA THR B 91 -1.715 -13.391 0.332 1.00 9.10 C ATOM 1661 C THR B 91 -1.895 -13.707 -1.207 1.00 7.11 C ATOM 1662 O THR B 91 -2.720 -13.102 -1.881 1.00 9.16 O ATOM 1663 CB THR B 91 -0.580 -12.353 0.506 1.00 9.35 C ATOM 1664 OG1 THR B 91 0.654 -12.902 0.050 1.00 9.08 O ATOM 1665 CG2 THR B 91 -0.426 -11.923 2.008 1.00 12.24 C ATOM 1666 HG1 THR B 91 0.574 -13.141 -0.907 1.00 0.00 H ATOM 1667 H THR B 91 -0.533 -14.801 1.525 1.00 0.00 H ATOM 1668 N GLU B 92 -1.110 -14.617 -1.753 1.00 7.29 N ATOM 1669 CA GLU B 92 -1.278 -14.989 -3.163 1.00 7.69 C ATOM 1670 C GLU B 92 -2.653 -15.645 -3.422 1.00 9.26 C ATOM 1671 O GLU B 92 -3.366 -15.224 -4.340 1.00 9.66 O ATOM 1672 CB GLU B 92 -0.124 -15.995 -3.528 1.00 9.16 C ATOM 1673 CG GLU B 92 -0.348 -16.548 -4.955 1.00 10.94 C ATOM 1674 CD GLU B 92 0.723 -17.599 -5.238 1.00 17.48 C ATOM 1675 OE1 GLU B 92 0.766 -18.670 -4.541 1.00 23.02 O ATOM 1676 OE2 GLU B 92 1.554 -17.333 -6.093 1.00 21.23 O ATOM 1677 H GLU B 92 -0.370 -15.072 -1.182 1.00 0.00 H ATOM 1678 N ALA B 93 -3.084 -16.491 -2.466 1.00 8.95 N ATOM 1679 CA ALA B 93 -4.397 -17.130 -2.594 1.00 8.14 C ATOM 1680 C ALA B 93 -5.547 -16.082 -2.509 1.00 7.73 C ATOM 1681 O ALA B 93 -6.533 -16.156 -3.225 1.00 9.93 O ATOM 1682 CB ALA B 93 -4.579 -18.172 -1.505 1.00 9.95 C ATOM 1683 H ALA B 93 -2.486 -16.690 -1.639 1.00 0.00 H ATOM 1684 N THR B 94 -5.391 -15.109 -1.632 1.00 7.08 N ATOM 1685 CA THR B 94 -6.397 -14.038 -1.515 1.00 7.76 C ATOM 1686 C THR B 94 -6.505 -13.318 -2.848 1.00 8.56 C ATOM 1687 O THR B 94 -7.622 -13.037 -3.276 1.00 9.22 O ATOM 1688 CB THR B 94 -6.092 -13.140 -0.384 1.00 9.88 C ATOM 1689 OG1 THR B 94 -6.090 -13.907 0.832 1.00 13.02 O ATOM 1690 CG2 THR B 94 -7.045 -11.958 -0.289 1.00 10.83 C ATOM 1691 HG1 THR B 94 -5.886 -13.311 1.596 1.00 0.00 H ATOM 1692 H THR B 94 -4.552 -15.097 -1.018 1.00 0.00 H ATOM 1693 N GLN B 95 -5.353 -12.920 -3.431 1.00 8.39 N ATOM 1694 CA GLN B 95 -5.429 -12.228 -4.744 1.00 8.92 C ATOM 1695 C GLN B 95 -6.058 -13.106 -5.797 1.00 8.57 C ATOM 1696 O GLN B 95 -6.888 -12.619 -6.614 1.00 8.31 O ATOM 1697 CB GLN B 95 -4.028 -11.740 -5.156 1.00 10.00 C ATOM 1698 CG GLN B 95 -4.032 -10.833 -6.396 1.00 10.42 C ATOM 1699 CD GLN B 95 -5.022 -9.655 -6.268 1.00 12.07 C ATOM 1700 OE1 GLN B 95 -5.053 -8.931 -5.229 1.00 15.21 O ATOM 1701 NE2 GLN B 95 -5.775 -9.425 -7.325 1.00 9.25 N ATOM 1702 HE22 GLN B 95 -5.712 -10.050 -8.154 1.00 0.00 H ATOM 1703 HE21 GLN B 95 -6.432 -8.619 -7.330 1.00 0.00 H ATOM 1704 H GLN B 95 -4.436 -13.094 -2.972 1.00 0.00 H ATOM 1705 N LYS B 96 -5.702 -14.386 -5.831 1.00 6.85 N ATOM 1706 CA LYS B 96 -6.312 -15.288 -6.824 1.00 7.73 C ATOM 1707 C LYS B 96 -7.878 -15.295 -6.649 1.00 8.10 C ATOM 1708 O LYS B 96 -8.579 -15.182 -7.641 1.00 8.88 O ATOM 1709 CB LYS B 96 -5.662 -16.689 -6.738 1.00 7.78 C ATOM 1710 CG LYS B 96 -6.341 -17.667 -7.757 1.00 8.62 C ATOM 1711 CD LYS B 96 -5.569 -19.005 -7.642 1.00 13.37 C ATOM 1712 CE LYS B 96 -5.865 -19.936 -8.811 1.00 17.80 C ATOM 1713 NZ LYS B 96 -7.071 -20.677 -8.438 1.00 24.31 N ATOM 1714 HZ1 LYS B 96 -6.891 -21.213 -7.565 1.00 0.00 H ATOM 1715 HZ2 LYS B 96 -7.852 -20.009 -8.281 1.00 0.00 H ATOM 1716 HZ3 LYS B 96 -7.324 -21.334 -9.204 1.00 0.00 H ATOM 1717 H LYS B 96 -4.996 -14.750 -5.160 1.00 0.00 H ATOM 1718 N ARG B 97 -8.351 -15.331 -5.404 1.00 7.35 N ATOM 1719 CA ARG B 97 -9.782 -15.353 -5.126 1.00 7.79 C ATOM 1720 C ARG B 97 -10.402 -14.007 -5.506 1.00 7.68 C ATOM 1721 O ARG B 97 -11.511 -13.957 -6.081 1.00 9.09 O ATOM 1722 CB ARG B 97 -10.004 -15.673 -3.677 1.00 8.51 C ATOM 1723 CG ARG B 97 -11.490 -15.610 -3.262 1.00 9.47 C ATOM 1724 CD ARG B 97 -11.843 -14.247 -2.675 1.00 9.50 C ATOM 1725 NE ARG B 97 -11.143 -14.075 -1.412 1.00 11.47 N ATOM 1726 CZ ARG B 97 -11.223 -12.992 -0.672 1.00 10.55 C ATOM 1727 NH1 ARG B 97 -11.994 -11.990 -1.023 1.00 10.71 N ATOM 1728 NH2 ARG B 97 -10.557 -12.933 0.485 1.00 11.43 N ATOM 1729 HE ARG B 97 -10.544 -14.855 -1.074 1.00 0.00 H ATOM 1730 HH12 ARG B 97 -12.046 -11.140 -0.426 1.00 0.00 H ATOM 1731 HH11 ARG B 97 -12.553 -12.046 -1.898 1.00 0.00 H ATOM 1732 HH22 ARG B 97 -10.616 -12.079 1.076 1.00 0.00 H ATOM 1733 HH21 ARG B 97 -9.980 -13.741 0.795 1.00 0.00 H ATOM 1734 H ARG B 97 -7.681 -15.344 -4.609 1.00 0.00 H ATOM 1735 N LEU B 98 -9.679 -12.919 -5.279 1.00 7.81 N ATOM 1736 CA LEU B 98 -10.242 -11.549 -5.599 1.00 8.11 C ATOM 1737 C LEU B 98 -10.386 -11.442 -7.161 1.00 8.78 C ATOM 1738 O LEU B 98 -11.423 -11.015 -7.665 1.00 8.95 O ATOM 1739 CB LEU B 98 -9.264 -10.464 -5.167 1.00 8.63 C ATOM 1740 CG LEU B 98 -9.395 -10.248 -3.613 1.00 7.23 C ATOM 1741 CD1 LEU B 98 -8.221 -9.486 -3.097 1.00 9.40 C ATOM 1742 CD2 LEU B 98 -10.667 -9.454 -3.233 1.00 10.34 C ATOM 1743 H LEU B 98 -8.723 -13.006 -4.880 1.00 0.00 H ATOM 1744 N VAL B 99 -9.382 -11.933 -7.904 1.00 9.01 N ATOM 1745 CA VAL B 99 -9.500 -11.987 -9.370 1.00 8.61 C ATOM 1746 C VAL B 99 -10.657 -12.891 -9.833 1.00 9.93 C ATOM 1747 O VAL B 99 -11.423 -12.475 -10.713 1.00 12.00 O ATOM 1748 CB VAL B 99 -8.149 -12.517 -10.017 1.00 8.82 C ATOM 1749 CG1 VAL B 99 -8.324 -12.846 -11.522 1.00 9.66 C ATOM 1750 CG2 VAL B 99 -7.080 -11.450 -9.796 1.00 11.68 C ATOM 1751 H VAL B 99 -8.516 -12.277 -7.442 1.00 0.00 H ATOM 1752 N GLU B 100 -10.745 -14.107 -9.274 1.00 8.73 N ATOM 1753 CA GLU B 100 -11.792 -15.081 -9.746 1.00 8.49 C ATOM 1754 C GLU B 100 -13.190 -14.566 -9.444 1.00 9.69 C ATOM 1755 O GLU B 100 -14.099 -14.638 -10.332 1.00 12.19 O ATOM 1756 CB GLU B 100 -11.598 -16.420 -9.091 1.00 11.83 C ATOM 1757 CG GLU B 100 -10.340 -17.088 -9.675 1.00 13.23 C ATOM 1758 CD GLU B 100 -9.900 -18.274 -8.907 1.00 19.60 C ATOM 1759 OE1 GLU B 100 -10.302 -18.340 -7.734 1.00 21.47 O ATOM 1760 OE2 GLU B 100 -9.107 -19.129 -9.465 1.00 21.97 O ATOM 1761 H GLU B 100 -10.089 -14.378 -8.514 1.00 0.00 H ATOM 1762 N THR B 101 -13.351 -13.996 -8.265 1.00 7.25 N ATOM 1763 CA THR B 101 -14.694 -13.472 -7.911 1.00 8.01 C ATOM 1764 C THR B 101 -15.031 -12.221 -8.742 1.00 11.29 C ATOM 1765 O THR B 101 -16.191 -12.036 -9.106 1.00 13.13 O ATOM 1766 CB THR B 101 -14.870 -13.213 -6.397 1.00 8.07 C ATOM 1767 OG1 THR B 101 -13.802 -12.412 -5.926 1.00 9.55 O ATOM 1768 CG2 THR B 101 -14.761 -14.552 -5.629 1.00 10.82 C ATOM 1769 HG1 THR B 101 -12.945 -12.882 -6.083 1.00 0.00 H ATOM 1770 H THR B 101 -12.556 -13.916 -7.599 1.00 0.00 H ATOM 1771 N ALA B 102 -14.033 -11.350 -9.006 1.00 9.48 N ATOM 1772 CA ALA B 102 -14.300 -10.190 -9.903 1.00 8.85 C ATOM 1773 C ALA B 102 -14.692 -10.616 -11.316 1.00 10.82 C ATOM 1774 O ALA B 102 -15.601 -10.028 -11.906 1.00 13.01 O ATOM 1775 CB ALA B 102 -13.088 -9.213 -9.921 1.00 8.57 C ATOM 1776 H ALA B 102 -13.090 -11.487 -8.589 1.00 0.00 H ATOM 1777 N SER B 103 -14.045 -11.666 -11.822 1.00 11.33 N ATOM 1778 CA SER B 103 -14.280 -12.202 -13.124 1.00 13.87 C ATOM 1779 C SER B 103 -15.706 -12.763 -13.229 1.00 16.85 C ATOM 1780 O SER B 103 -16.288 -12.809 -14.342 1.00 18.01 O ATOM 1781 CB SER B 103 -13.197 -13.297 -13.420 1.00 17.86 C ATOM 1782 OG SER B 103 -13.386 -13.702 -14.742 1.00 30.31 O ATOM 1783 HG SER B 103 -14.299 -14.072 -14.845 1.00 0.00 H ATOM 1784 H SER B 103 -13.323 -12.124 -11.230 1.00 0.00 H ATOM 1785 N SER B 104 -16.270 -13.172 -12.081 1.00 12.50 N ATOM 1786 CA SER B 104 -17.658 -13.662 -12.000 1.00 12.95 C ATOM 1787 C SER B 104 -18.650 -12.522 -11.830 1.00 14.25 C ATOM 1788 O SER B 104 -19.884 -12.768 -11.804 1.00 19.43 O ATOM 1789 CB SER B 104 -17.765 -14.720 -10.875 1.00 19.96 C ATOM 1790 OG SER B 104 -17.924 -14.090 -9.548 1.00 20.63 O ATOM 1791 HG SER B 104 -17.141 -13.514 -9.362 1.00 0.00 H ATOM 1792 H SER B 104 -15.702 -13.142 -11.210 1.00 0.00 H ATOM 1793 N GLY B 105 -18.145 -11.279 -11.759 1.00 15.11 N ATOM 1794 CA GLY B 105 -18.972 -10.042 -11.793 1.00 15.55 C ATOM 1795 C GLY B 105 -19.074 -9.350 -10.455 1.00 13.98 C ATOM 1796 O GLY B 105 -19.852 -8.361 -10.315 1.00 17.96 O ATOM 1797 H GLY B 105 -17.114 -11.175 -11.675 1.00 0.00 H ATOM 1798 N GLU B 106 -18.340 -9.814 -9.449 1.00 12.53 N ATOM 1799 CA GLU B 106 -18.399 -9.106 -8.135 1.00 12.62 C ATOM 1800 C GLU B 106 -17.498 -7.844 -8.154 1.00 13.26 C ATOM 1801 O GLU B 106 -16.364 -7.909 -8.711 1.00 14.17 O ATOM 1802 CB GLU B 106 -17.869 -10.001 -6.938 1.00 13.83 C ATOM 1803 CG GLU B 106 -18.876 -11.135 -6.722 1.00 17.30 C ATOM 1804 CD GLU B 106 -20.187 -10.786 -5.958 1.00 27.53 C ATOM 1805 OE1 GLU B 106 -20.421 -9.692 -5.321 1.00 19.17 O ATOM 1806 OE2 GLU B 106 -20.993 -11.738 -5.899 1.00 37.00 O ATOM 1807 H GLU B 106 -17.737 -10.652 -9.574 1.00 0.00 H ATOM 1808 N PHE B 107 -17.941 -6.795 -7.447 1.00 9.40 N ATOM 1809 CA PHE B 107 -17.127 -5.604 -7.279 1.00 10.46 C ATOM 1810 C PHE B 107 -16.423 -5.779 -5.974 1.00 12.67 C ATOM 1811 O PHE B 107 -17.055 -5.662 -4.875 1.00 14.62 O ATOM 1812 CB PHE B 107 -17.994 -4.337 -7.262 1.00 11.61 C ATOM 1813 CG PHE B 107 -18.594 -4.029 -8.593 1.00 11.62 C ATOM 1814 CD1 PHE B 107 -19.724 -4.718 -9.051 1.00 17.00 C ATOM 1815 CD2 PHE B 107 -17.962 -3.097 -9.409 1.00 14.87 C ATOM 1816 CE1 PHE B 107 -20.270 -4.427 -10.318 1.00 22.88 C ATOM 1817 CE2 PHE B 107 -18.521 -2.791 -10.679 1.00 14.81 C ATOM 1818 CZ PHE B 107 -19.631 -3.463 -11.122 1.00 16.94 C ATOM 1819 H PHE B 107 -18.884 -6.835 -7.011 1.00 0.00 H ATOM 1820 N VAL B 108 -15.127 -6.130 -6.059 1.00 9.90 N ATOM 1821 CA VAL B 108 -14.453 -6.537 -4.806 1.00 8.81 C ATOM 1822 C VAL B 108 -13.493 -5.439 -4.350 1.00 10.39 C ATOM 1823 O VAL B 108 -13.020 -4.631 -5.172 1.00 11.08 O ATOM 1824 CB VAL B 108 -13.637 -7.837 -5.056 1.00 8.81 C ATOM 1825 CG1 VAL B 108 -14.583 -8.941 -5.561 1.00 9.70 C ATOM 1826 CG2 VAL B 108 -12.468 -7.656 -6.074 1.00 11.41 C ATOM 1827 H VAL B 108 -14.620 -6.116 -6.967 1.00 0.00 H ATOM 1828 N ARG B 109 -13.255 -5.399 -3.026 1.00 10.20 N ATOM 1829 CA ARG B 109 -12.405 -4.381 -2.466 1.00 10.13 C ATOM 1830 C ARG B 109 -11.935 -4.861 -1.125 1.00 10.93 C ATOM 1831 O ARG B 109 -12.764 -5.368 -0.329 1.00 14.12 O ATOM 1832 CB ARG B 109 -13.244 -3.103 -2.314 1.00 11.40 C ATOM 1833 CG ARG B 109 -12.473 -1.891 -1.778 1.00 15.63 C ATOM 1834 CD ARG B 109 -13.387 -0.677 -1.744 1.00 17.44 C ATOM 1835 NE ARG B 109 -12.578 0.481 -1.317 1.00 26.56 N ATOM 1836 CZ ARG B 109 -13.101 1.673 -1.003 1.00 42.20 C ATOM 1837 NH1 ARG B 109 -14.414 1.851 -1.072 1.00 43.88 N ATOM 1838 NH2 ARG B 109 -12.321 2.679 -0.615 1.00 28.54 N ATOM 1839 HE ARG B 109 -11.546 0.365 -1.257 1.00 0.00 H ATOM 1840 HH12 ARG B 109 -14.827 2.774 -0.830 1.00 0.00 H ATOM 1841 HH11 ARG B 109 -15.030 1.067 -1.369 1.00 0.00 H ATOM 1842 HH22 ARG B 109 -12.741 3.599 -0.374 1.00 0.00 H ATOM 1843 HH21 ARG B 109 -11.292 2.545 -0.553 1.00 0.00 H ATOM 1844 H ARG B 109 -13.689 -6.109 -2.402 1.00 0.00 H ATOM 1845 N CYS B 110 -10.656 -4.681 -0.805 1.00 11.35 N ATOM 1846 CA CYS B 110 -10.218 -4.957 0.555 1.00 14.24 C ATOM 1847 C CYS B 110 -8.849 -4.372 0.749 1.00 14.00 C ATOM 1848 O CYS B 110 -8.086 -4.037 -0.192 1.00 12.40 O ATOM 1849 CB CYS B 110 -10.228 -6.408 0.877 1.00 19.23 C ATOM 1850 SG CYS B 110 -9.202 -7.323 -0.201 1.00 28.11 S ATOM 1851 H CYS B 110 -9.977 -4.347 -1.519 1.00 0.00 H ATOM 1852 N ASP B 111 -8.540 -4.238 2.027 1.00 13.29 N ATOM 1853 CA ASP B 111 -7.249 -3.778 2.423 1.00 12.18 C ATOM 1854 C ASP B 111 -6.281 -4.939 2.362 1.00 14.74 C ATOM 1855 O ASP B 111 -6.577 -6.036 2.839 1.00 16.22 O ATOM 1856 CB ASP B 111 -7.348 -3.316 3.874 1.00 14.60 C ATOM 1857 CG ASP B 111 -8.169 -2.002 4.022 1.00 21.74 C ATOM 1858 OD1 ASP B 111 -8.513 -1.279 3.042 1.00 23.31 O ATOM 1859 OD2 ASP B 111 -8.435 -1.699 5.200 1.00 30.60 O ATOM 1860 H ASP B 111 -9.247 -4.471 2.753 1.00 0.00 H ATOM 1861 N VAL B 112 -5.117 -4.692 1.770 1.00 11.15 N ATOM 1862 CA VAL B 112 -4.098 -5.764 1.551 1.00 10.97 C ATOM 1863 C VAL B 112 -2.751 -5.212 1.906 1.00 14.57 C ATOM 1864 O VAL B 112 -2.595 -4.029 1.951 1.00 16.01 O ATOM 1865 CB VAL B 112 -4.043 -6.247 0.085 1.00 11.49 C ATOM 1866 CG1 VAL B 112 -5.352 -6.891 -0.373 1.00 12.04 C ATOM 1867 CG2 VAL B 112 -3.690 -5.161 -0.860 1.00 15.58 C ATOM 1868 H VAL B 112 -4.909 -3.725 1.450 1.00 0.00 H ATOM 1869 N GLU B 113 -1.768 -6.081 2.168 1.00 11.15 N ATOM 1870 CA GLU B 113 -0.371 -5.653 2.301 1.00 11.45 C ATOM 1871 C GLU B 113 0.328 -6.172 1.098 1.00 13.82 C ATOM 1872 O GLU B 113 0.088 -7.339 0.662 1.00 16.40 O ATOM 1873 CB GLU B 113 0.233 -6.303 3.525 1.00 16.65 C ATOM 1874 CG GLU B 113 -0.196 -5.607 4.821 1.00 20.25 C ATOM 1875 CD GLU B 113 0.647 -6.017 6.065 1.00 35.56 C ATOM 1876 OE1 GLU B 113 1.500 -6.918 6.007 1.00 39.22 O ATOM 1877 OE2 GLU B 113 0.452 -5.416 7.131 1.00 41.45 O ATOM 1878 H GLU B 113 -2.001 -7.088 2.281 1.00 0.00 H ATOM 1879 N ILE B 114 1.156 -5.324 0.516 1.00 11.82 N ATOM 1880 CA ILE B 114 1.840 -5.739 -0.719 1.00 10.82 C ATOM 1881 C ILE B 114 3.316 -5.377 -0.655 1.00 11.40 C ATOM 1882 O ILE B 114 3.715 -4.435 0.074 1.00 11.51 O ATOM 1883 CB ILE B 114 1.252 -5.076 -1.966 1.00 11.84 C ATOM 1884 CG1 ILE B 114 1.306 -3.535 -1.964 1.00 11.83 C ATOM 1885 CG2 ILE B 114 -0.146 -5.660 -2.224 1.00 14.13 C ATOM 1886 CD1 ILE B 114 0.872 -2.925 -3.333 1.00 15.71 C ATOM 1887 H ILE B 114 1.322 -4.381 0.923 1.00 0.00 H ATOM 1888 N LEU B 115 4.120 -6.094 -1.456 1.00 8.90 N ATOM 1889 CA LEU B 115 5.523 -5.720 -1.628 1.00 10.15 C ATOM 1890 C LEU B 115 5.598 -4.625 -2.680 1.00 11.36 C ATOM 1891 O LEU B 115 5.841 -4.869 -3.881 1.00 11.88 O ATOM 1892 CB LEU B 115 6.354 -6.966 -1.960 1.00 8.32 C ATOM 1893 CG LEU B 115 6.249 -8.116 -0.949 1.00 10.46 C ATOM 1894 CD1 LEU B 115 6.921 -9.355 -1.475 1.00 11.75 C ATOM 1895 CD2 LEU B 115 6.897 -7.657 0.400 1.00 15.25 C ATOM 1896 H LEU B 115 3.742 -6.922 -1.958 1.00 0.00 H ATOM 1897 N GLY B 116 5.349 -3.414 -2.231 1.00 10.84 N ATOM 1898 CA GLY B 116 5.029 -2.329 -3.122 1.00 12.75 C ATOM 1899 C GLY B 116 5.720 -0.995 -2.835 1.00 12.09 C ATOM 1900 O GLY B 116 5.376 0.030 -3.441 1.00 13.58 O ATOM 1901 H GLY B 116 5.384 -3.236 -1.207 1.00 0.00 H ATOM 1902 N LYS B 117 6.727 -0.991 -1.946 1.00 12.11 N ATOM 1903 CA LYS B 117 7.521 0.204 -1.668 1.00 12.59 C ATOM 1904 C LYS B 117 9.023 -0.112 -1.756 1.00 14.55 C ATOM 1905 O LYS B 117 9.448 -1.244 -1.502 1.00 13.96 O ATOM 1906 CB LYS B 117 7.179 0.650 -0.203 1.00 20.14 C ATOM 1907 CG LYS B 117 7.944 1.821 0.358 1.00 24.46 C ATOM 1908 CD LYS B 117 7.314 2.253 1.671 1.00 28.74 C ATOM 1909 CE LYS B 117 7.894 1.528 2.871 1.00 37.07 C ATOM 1910 NZ LYS B 117 7.028 1.749 4.077 1.00 58.90 N ATOM 1911 HZ1 LYS B 117 6.978 2.767 4.284 1.00 0.00 H ATOM 1912 HZ2 LYS B 117 6.072 1.385 3.887 1.00 0.00 H ATOM 1913 HZ3 LYS B 117 7.436 1.248 4.892 1.00 0.00 H ATOM 1914 H LYS B 117 6.950 -1.870 -1.437 1.00 0.00 H ATOM 1915 N SER B 118 9.835 0.902 -2.096 1.00 17.12 N ATOM 1916 CA SER B 118 11.303 0.757 -2.121 1.00 16.89 C ATOM 1917 C SER B 118 11.721 -0.388 -3.029 1.00 13.15 C ATOM 1918 O SER B 118 12.432 -1.296 -2.647 1.00 16.07 O ATOM 1919 CB SER B 118 11.888 0.564 -0.748 1.00 19.15 C ATOM 1920 OG SER B 118 11.454 1.570 0.183 1.00 24.74 O ATOM 1921 HG SER B 118 11.865 1.399 1.067 1.00 0.00 H ATOM 1922 H SER B 118 9.416 1.819 -2.350 1.00 0.00 H ATOM 1923 N GLY B 119 11.236 -0.326 -4.269 1.00 14.23 N ATOM 1924 CA GLY B 119 11.539 -1.346 -5.272 1.00 13.93 C ATOM 1925 C GLY B 119 11.329 -2.798 -4.822 1.00 14.16 C ATOM 1926 O GLY B 119 12.129 -3.725 -5.122 1.00 15.32 O ATOM 1927 H GLY B 119 10.623 0.472 -4.531 1.00 0.00 H ATOM 1928 N GLY B 120 10.257 -2.974 -4.084 1.00 13.42 N ATOM 1929 CA GLY B 120 9.803 -4.244 -3.618 1.00 14.29 C ATOM 1930 C GLY B 120 10.383 -4.678 -2.312 1.00 12.65 C ATOM 1931 O GLY B 120 10.007 -5.752 -1.836 1.00 14.08 O ATOM 1932 H GLY B 120 9.703 -2.133 -3.822 1.00 0.00 H ATOM 1933 N ARG B 121 11.220 -3.829 -1.688 1.00 10.90 N ATOM 1934 CA ARG B 121 11.887 -4.291 -0.451 1.00 10.95 C ATOM 1935 C ARG B 121 11.003 -4.120 0.740 1.00 13.04 C ATOM 1936 O ARG B 121 11.178 -4.803 1.791 1.00 14.06 O ATOM 1937 CB ARG B 121 13.163 -3.470 -0.249 1.00 13.74 C ATOM 1938 CG ARG B 121 14.268 -3.875 -1.189 1.00 14.95 C ATOM 1939 CD ARG B 121 15.482 -2.976 -0.958 1.00 17.03 C ATOM 1940 NE ARG B 121 16.424 -3.342 -1.959 1.00 27.95 N ATOM 1941 CZ ARG B 121 17.696 -2.919 -2.012 1.00 34.10 C ATOM 1942 NH1 ARG B 121 18.190 -2.129 -1.082 1.00 31.13 N ATOM 1943 NH2 ARG B 121 18.452 -3.312 -3.024 1.00 39.04 N ATOM 1944 HE ARG B 121 16.102 -3.988 -2.708 1.00 0.00 H ATOM 1945 HH12 ARG B 121 19.179 -1.812 -1.141 1.00 0.00 H ATOM 1946 HH11 ARG B 121 17.592 -1.822 -0.289 1.00 0.00 H ATOM 1947 HH22 ARG B 121 19.441 -2.997 -3.087 1.00 0.00 H ATOM 1948 HH21 ARG B 121 18.057 -3.936 -3.757 1.00 0.00 H ATOM 1949 H ARG B 121 11.393 -2.875 -2.065 1.00 0.00 H ATOM 1950 N GLU B 122 10.027 -3.230 0.623 1.00 13.02 N ATOM 1951 CA GLU B 122 9.200 -2.974 1.811 1.00 14.20 C ATOM 1952 C GLU B 122 7.657 -3.150 1.559 1.00 13.12 C ATOM 1953 O GLU B 122 7.160 -3.006 0.428 1.00 13.33 O ATOM 1954 CB GLU B 122 9.483 -1.571 2.350 1.00 18.45 C ATOM 1955 CG GLU B 122 10.921 -1.378 2.880 1.00 22.16 C ATOM 1956 CD GLU B 122 11.092 0.030 3.430 1.00 33.23 C ATOM 1957 OE1 GLU B 122 10.878 0.220 4.651 1.00 39.76 O ATOM 1958 OE2 GLU B 122 11.407 0.955 2.647 1.00 41.10 O ATOM 1959 H GLU B 122 9.853 -2.733 -0.274 1.00 0.00 H ATOM 1960 N VAL B 123 6.976 -3.437 2.646 1.00 12.29 N ATOM 1961 CA VAL B 123 5.536 -3.684 2.621 1.00 11.24 C ATOM 1962 C VAL B 123 4.816 -2.349 2.793 1.00 14.89 C ATOM 1963 O VAL B 123 5.193 -1.492 3.622 1.00 17.42 O ATOM 1964 CB VAL B 123 5.178 -4.647 3.765 1.00 11.22 C ATOM 1965 CG1 VAL B 123 3.702 -4.891 3.932 1.00 16.82 C ATOM 1966 CG2 VAL B 123 5.876 -6.002 3.593 1.00 12.74 C ATOM 1967 H VAL B 123 7.479 -3.490 3.555 1.00 0.00 H ATOM 1968 N ILE B 124 3.772 -2.207 2.003 1.00 11.77 N ATOM 1969 CA ILE B 124 2.812 -1.137 2.249 1.00 13.52 C ATOM 1970 C ILE B 124 1.421 -1.708 2.276 1.00 14.29 C ATOM 1971 O ILE B 124 1.094 -2.663 1.551 1.00 12.33 O ATOM 1972 CB ILE B 124 2.896 0.013 1.207 1.00 15.45 C ATOM 1973 CG1 ILE B 124 2.822 -0.534 -0.232 1.00 15.20 C ATOM 1974 CG2 ILE B 124 4.071 0.910 1.543 1.00 22.34 C ATOM 1975 CD1 ILE B 124 2.873 0.521 -1.317 1.00 21.50 C ATOM 1976 H ILE B 124 3.632 -2.858 1.204 1.00 0.00 H ATOM 1977 N ALA B 125 0.552 -0.995 2.960 1.00 13.44 N ATOM 1978 CA ALA B 125 -0.857 -1.348 2.977 1.00 14.83 C ATOM 1979 C ALA B 125 -1.583 -0.549 1.925 1.00 14.72 C ATOM 1980 O ALA B 125 -1.371 0.676 1.787 1.00 16.46 O ATOM 1981 CB ALA B 125 -1.460 -1.105 4.364 1.00 18.16 C ATOM 1982 H ALA B 125 0.879 -0.166 3.497 1.00 0.00 H ATOM 1983 N VAL B 126 -2.443 -1.254 1.168 1.00 10.44 N ATOM 1984 CA VAL B 126 -3.178 -0.655 0.075 1.00 11.53 C ATOM 1985 C VAL B 126 -4.670 -0.974 0.105 1.00 11.04 C ATOM 1986 O VAL B 126 -5.059 -2.099 0.504 1.00 10.86 O ATOM 1987 CB VAL B 126 -2.525 -1.137 -1.271 1.00 17.31 C ATOM 1988 CG1 VAL B 126 -3.381 -0.805 -2.416 1.00 21.38 C ATOM 1989 CG2 VAL B 126 -1.193 -0.398 -1.437 1.00 18.74 C ATOM 1990 H VAL B 126 -2.584 -2.263 1.375 1.00 0.00 H ATOM 1991 N ASP B 127 -5.484 0.013 -0.263 1.00 11.76 N ATOM 1992 CA ASP B 127 -6.921 -0.217 -0.454 1.00 10.75 C ATOM 1993 C ASP B 127 -7.043 -0.637 -1.861 1.00 11.44 C ATOM 1994 O ASP B 127 -6.905 0.160 -2.774 1.00 12.10 O ATOM 1995 CB ASP B 127 -7.610 1.115 -0.133 1.00 12.73 C ATOM 1996 CG ASP B 127 -9.023 1.199 -0.582 1.00 20.16 C ATOM 1997 OD1 ASP B 127 -9.702 0.142 -0.848 1.00 16.40 O ATOM 1998 OD2 ASP B 127 -9.485 2.418 -0.649 1.00 25.12 O ATOM 1999 H ASP B 127 -5.094 0.965 -0.418 1.00 0.00 H ATOM 2000 N PHE B 128 -7.295 -1.950 -2.013 1.00 10.25 N ATOM 2001 CA PHE B 128 -7.304 -2.585 -3.347 1.00 9.90 C ATOM 2002 C PHE B 128 -8.695 -2.866 -3.869 1.00 11.09 C ATOM 2003 O PHE B 128 -9.511 -3.369 -3.137 1.00 10.94 O ATOM 2004 CB PHE B 128 -6.491 -3.892 -3.227 1.00 10.66 C ATOM 2005 CG PHE B 128 -6.513 -4.725 -4.501 1.00 9.02 C ATOM 2006 CD1 PHE B 128 -5.694 -4.352 -5.536 1.00 10.79 C ATOM 2007 CD2 PHE B 128 -7.430 -5.802 -4.701 1.00 9.52 C ATOM 2008 CE1 PHE B 128 -5.751 -5.020 -6.760 1.00 10.69 C ATOM 2009 CE2 PHE B 128 -7.456 -6.484 -5.947 1.00 11.51 C ATOM 2010 CZ PHE B 128 -6.573 -6.115 -6.939 1.00 10.11 C ATOM 2011 H PHE B 128 -7.488 -2.531 -1.172 1.00 0.00 H ATOM 2012 N SER B 129 -8.940 -2.649 -5.179 1.00 9.46 N ATOM 2013 CA SER B 129 -10.195 -3.041 -5.792 1.00 11.27 C ATOM 2014 C SER B 129 -10.007 -3.615 -7.188 1.00 10.51 C ATOM 2015 O SER B 129 -8.975 -3.357 -7.846 1.00 9.52 O ATOM 2016 CB SER B 129 -11.165 -1.854 -5.909 1.00 13.93 C ATOM 2017 OG SER B 129 -10.612 -0.776 -6.659 1.00 16.93 O ATOM 2018 HG SER B 129 -10.397 -1.088 -7.573 1.00 0.00 H ATOM 2019 H SER B 129 -8.212 -2.190 -5.762 1.00 0.00 H ATOM 2020 N LEU B 130 -10.996 -4.435 -7.584 1.00 9.42 N ATOM 2021 CA LEU B 130 -11.110 -4.868 -8.978 1.00 11.25 C ATOM 2022 C LEU B 130 -12.433 -4.527 -9.517 1.00 12.38 C ATOM 2023 O LEU B 130 -13.427 -4.833 -8.825 1.00 15.43 O ATOM 2024 CB LEU B 130 -10.845 -6.345 -9.147 1.00 12.34 C ATOM 2025 CG LEU B 130 -9.401 -6.821 -9.053 1.00 11.66 C ATOM 2026 CD1 LEU B 130 -9.397 -8.335 -8.718 1.00 11.48 C ATOM 2027 CD2 LEU B 130 -8.642 -6.543 -10.384 1.00 14.13 C ATOM 2028 H LEU B 130 -11.693 -4.768 -6.887 1.00 0.00 H ATOM 2029 N LEU B 131 -12.472 -3.958 -10.723 1.00 11.96 N ATOM 2030 CA LEU B 131 -13.756 -3.534 -11.348 1.00 13.55 C ATOM 2031 C LEU B 131 -13.881 -4.467 -12.562 1.00 15.67 C ATOM 2032 O LEU B 131 -12.980 -4.455 -13.486 1.00 15.91 O ATOM 2033 CB LEU B 131 -13.768 -2.113 -11.882 1.00 16.62 C ATOM 2034 CG LEU B 131 -13.752 -0.929 -10.992 1.00 22.29 C ATOM 2035 CD1 LEU B 131 -13.859 0.315 -11.873 1.00 25.32 C ATOM 2036 CD2 LEU B 131 -14.914 -0.970 -10.014 1.00 30.63 C ATOM 2037 H LEU B 131 -11.583 -3.806 -11.240 1.00 0.00 H ATOM 2038 N PRO B 132 -14.965 -5.255 -12.615 1.00 13.88 N ATOM 2039 CA PRO B 132 -15.171 -6.007 -13.898 1.00 12.96 C ATOM 2040 C PRO B 132 -15.527 -5.050 -15.026 1.00 15.61 C ATOM 2041 O PRO B 132 -16.400 -4.152 -14.827 1.00 19.58 O ATOM 2042 CB PRO B 132 -16.394 -6.939 -13.585 1.00 16.76 C ATOM 2043 CG PRO B 132 -16.894 -6.510 -12.202 1.00 16.95 C ATOM 2044 CD PRO B 132 -15.987 -5.517 -11.586 1.00 15.27 C ATOM 2045 N ILE B 133 -14.945 -5.237 -16.217 1.00 12.79 N ATOM 2046 CA ILE B 133 -15.232 -4.467 -17.391 1.00 12.38 C ATOM 2047 C ILE B 133 -15.929 -5.381 -18.383 1.00 14.55 C ATOM 2048 O ILE B 133 -15.357 -6.391 -18.846 1.00 14.01 O ATOM 2049 CB ILE B 133 -13.941 -3.959 -18.040 1.00 12.80 C ATOM 2050 CG1 ILE B 133 -13.207 -3.010 -17.036 1.00 14.19 C ATOM 2051 CG2 ILE B 133 -14.253 -3.181 -19.320 1.00 16.77 C ATOM 2052 CD1 ILE B 133 -11.874 -2.484 -17.485 1.00 20.25 C ATOM 2053 H ILE B 133 -14.236 -5.993 -16.296 1.00 0.00 H ATOM 2054 N CYS B 134 -17.177 -5.040 -18.693 1.00 17.03 N ATOM 2055 CA CYS B 134 -18.040 -5.835 -19.634 1.00 18.44 C ATOM 2056 C CYS B 134 -17.988 -5.267 -21.013 1.00 17.32 C ATOM 2057 O CYS B 134 -17.803 -4.050 -21.208 1.00 18.91 O ATOM 2058 CB CYS B 134 -19.501 -5.687 -19.195 1.00 24.72 C ATOM 2059 SG CYS B 134 -19.729 -6.514 -17.631 1.00 42.83 S ATOM 2060 H CYS B 134 -17.576 -4.181 -18.263 1.00 0.00 H ATOM 2061 N ASN B 135 -18.189 -6.120 -21.991 1.00 14.86 N ATOM 2062 CA ASN B 135 -18.355 -5.662 -23.369 1.00 14.32 C ATOM 2063 C ASN B 135 -19.829 -5.363 -23.667 1.00 16.18 C ATOM 2064 O ASN B 135 -20.656 -5.409 -22.764 1.00 16.90 O ATOM 2065 CB ASN B 135 -17.785 -6.673 -24.376 1.00 19.30 C ATOM 2066 CG ASN B 135 -18.552 -7.989 -24.413 1.00 19.66 C ATOM 2067 OD1 ASN B 135 -19.605 -8.111 -23.856 1.00 16.88 O ATOM 2068 ND2 ASN B 135 -17.985 -8.983 -25.046 1.00 19.18 N ATOM 2069 HD22 ASN B 135 -17.070 -8.843 -25.520 1.00 0.00 H ATOM 2070 HD21 ASN B 135 -18.449 -9.913 -25.076 1.00 0.00 H ATOM 2071 H ASN B 135 -18.231 -7.138 -21.782 1.00 0.00 H ATOM 2072 N GLU B 136 -20.132 -5.073 -24.944 1.00 14.14 N ATOM 2073 CA GLU B 136 -21.482 -4.639 -25.300 1.00 16.34 C ATOM 2074 C GLU B 136 -22.504 -5.755 -25.158 1.00 19.48 C ATOM 2075 O GLU B 136 -23.694 -5.484 -25.217 1.00 25.97 O ATOM 2076 CB GLU B 136 -21.558 -3.984 -26.692 1.00 19.99 C ATOM 2077 CG GLU B 136 -21.667 -4.808 -27.925 1.00 28.63 C ATOM 2078 CD GLU B 136 -21.881 -3.834 -29.147 1.00 39.03 C ATOM 2079 OE1 GLU B 136 -20.943 -3.721 -29.961 1.00 65.52 O ATOM 2080 OE2 GLU B 136 -22.928 -3.100 -29.263 1.00 30.27 O ATOM 2081 H GLU B 136 -19.404 -5.158 -25.681 1.00 0.00 H ATOM 2082 N GLU B 137 -22.047 -6.969 -24.913 1.00 16.48 N ATOM 2083 CA GLU B 137 -23.009 -8.115 -24.698 1.00 16.25 C ATOM 2084 C GLU B 137 -23.237 -8.413 -23.228 1.00 19.93 C ATOM 2085 O GLU B 137 -24.075 -9.258 -22.883 1.00 23.16 O ATOM 2086 CB GLU B 137 -22.473 -9.363 -25.353 1.00 20.73 C ATOM 2087 CG GLU B 137 -22.294 -9.148 -26.821 1.00 18.46 C ATOM 2088 CD GLU B 137 -21.740 -10.338 -27.511 1.00 26.50 C ATOM 2089 OE1 GLU B 137 -21.900 -11.474 -26.952 1.00 27.36 O ATOM 2090 OE2 GLU B 137 -21.210 -10.135 -28.630 1.00 27.76 O ATOM 2091 H GLU B 137 -21.022 -7.138 -24.868 1.00 0.00 H ATOM 2092 N GLY B 138 -22.469 -7.772 -22.364 1.00 19.68 N ATOM 2093 CA GLY B 138 -22.523 -8.007 -20.928 1.00 20.74 C ATOM 2094 C GLY B 138 -21.516 -9.020 -20.427 1.00 18.84 C ATOM 2095 O GLY B 138 -21.540 -9.343 -19.231 1.00 22.76 O ATOM 2096 H GLY B 138 -21.795 -7.068 -22.726 1.00 0.00 H ATOM 2097 N SER B 139 -20.605 -9.467 -21.307 1.00 15.45 N ATOM 2098 CA SER B 139 -19.511 -10.468 -20.916 1.00 12.64 C ATOM 2099 C SER B 139 -18.316 -9.725 -20.355 1.00 13.82 C ATOM 2100 O SER B 139 -17.880 -8.722 -20.914 1.00 16.04 O ATOM 2101 CB SER B 139 -18.967 -11.266 -22.125 1.00 19.57 C ATOM 2102 OG SER B 139 -20.050 -11.762 -22.863 1.00 37.55 O ATOM 2103 HG SER B 139 -19.712 -12.275 -23.639 1.00 0.00 H ATOM 2104 H SER B 139 -20.643 -9.122 -22.287 1.00 0.00 H ATOM 2105 N ILE B 140 -17.800 -10.231 -19.233 1.00 13.79 N ATOM 2106 CA ILE B 140 -16.631 -9.602 -18.653 1.00 13.34 C ATOM 2107 C ILE B 140 -15.429 -9.944 -19.529 1.00 14.50 C ATOM 2108 O ILE B 140 -15.154 -11.127 -19.775 1.00 21.68 O ATOM 2109 CB ILE B 140 -16.445 -10.072 -17.200 1.00 14.82 C ATOM 2110 CG1 ILE B 140 -17.674 -9.439 -16.478 1.00 17.45 C ATOM 2111 CG2 ILE B 140 -15.082 -9.571 -16.644 1.00 15.45 C ATOM 2112 CD1 ILE B 140 -17.989 -10.023 -15.149 1.00 24.75 C ATOM 2113 H ILE B 140 -18.230 -11.064 -18.782 1.00 0.00 H ATOM 2114 N VAL B 141 -14.740 -8.917 -19.998 1.00 10.41 N ATOM 2115 CA VAL B 141 -13.612 -9.097 -20.912 1.00 11.64 C ATOM 2116 C VAL B 141 -12.304 -8.607 -20.290 1.00 12.00 C ATOM 2117 O VAL B 141 -11.226 -9.105 -20.680 1.00 16.21 O ATOM 2118 CB VAL B 141 -13.815 -8.468 -22.296 1.00 15.82 C ATOM 2119 CG1 VAL B 141 -14.891 -9.266 -23.088 1.00 20.16 C ATOM 2120 CG2 VAL B 141 -14.143 -6.960 -22.186 1.00 17.65 C ATOM 2121 H VAL B 141 -15.008 -7.955 -19.709 1.00 0.00 H ATOM 2122 N TYR B 142 -12.396 -7.678 -19.311 1.00 11.05 N ATOM 2123 CA TYR B 142 -11.191 -7.154 -18.621 1.00 9.59 C ATOM 2124 C TYR B 142 -11.525 -6.932 -17.192 1.00 12.44 C ATOM 2125 O TYR B 142 -12.709 -6.893 -16.817 1.00 10.98 O ATOM 2126 CB TYR B 142 -10.709 -5.802 -19.179 1.00 9.35 C ATOM 2127 CG TYR B 142 -10.372 -5.814 -20.684 1.00 12.42 C ATOM 2128 CD1 TYR B 142 -9.278 -6.562 -21.182 1.00 12.54 C ATOM 2129 CD2 TYR B 142 -11.196 -5.149 -21.625 1.00 11.96 C ATOM 2130 CE1 TYR B 142 -8.900 -6.537 -22.528 1.00 14.73 C ATOM 2131 CE2 TYR B 142 -10.866 -5.182 -22.967 1.00 14.54 C ATOM 2132 CZ TYR B 142 -9.742 -5.903 -23.419 1.00 13.52 C ATOM 2133 OH TYR B 142 -9.440 -5.928 -24.764 1.00 17.87 O ATOM 2134 HH TYR B 142 -9.279 -5.004 -25.082 1.00 0.00 H ATOM 2135 H TYR B 142 -13.334 -7.322 -19.035 1.00 0.00 H ATOM 2136 N LEU B 143 -10.502 -6.797 -16.355 1.00 9.57 N ATOM 2137 CA LEU B 143 -10.689 -6.346 -14.970 1.00 9.97 C ATOM 2138 C LEU B 143 -9.754 -5.188 -14.754 1.00 9.74 C ATOM 2139 O LEU B 143 -8.608 -5.154 -15.263 1.00 11.33 O ATOM 2140 CB LEU B 143 -10.275 -7.458 -13.956 1.00 10.39 C ATOM 2141 CG LEU B 143 -10.907 -8.852 -14.152 1.00 10.08 C ATOM 2142 CD1 LEU B 143 -10.213 -9.866 -13.219 1.00 13.22 C ATOM 2143 CD2 LEU B 143 -12.452 -8.816 -13.921 1.00 14.37 C ATOM 2144 H LEU B 143 -9.542 -7.017 -16.690 1.00 0.00 H ATOM 2145 N LEU B 144 -10.251 -4.182 -14.041 1.00 9.89 N ATOM 2146 CA LEU B 144 -9.423 -2.991 -13.739 1.00 9.30 C ATOM 2147 C LEU B 144 -8.983 -3.054 -12.280 1.00 9.05 C ATOM 2148 O LEU B 144 -9.815 -3.070 -11.356 1.00 10.74 O ATOM 2149 CB LEU B 144 -10.152 -1.671 -14.039 1.00 9.45 C ATOM 2150 CG LEU B 144 -9.223 -0.408 -13.899 1.00 10.06 C ATOM 2151 CD1 LEU B 144 -8.377 -0.272 -15.129 1.00 14.26 C ATOM 2152 CD2 LEU B 144 -10.146 0.783 -13.816 1.00 14.65 C ATOM 2153 H LEU B 144 -11.230 -4.231 -13.692 1.00 0.00 H ATOM 2154 N ALA B 145 -7.671 -3.127 -12.094 1.00 9.11 N ATOM 2155 CA ALA B 145 -7.139 -3.302 -10.719 1.00 9.03 C ATOM 2156 C ALA B 145 -6.691 -1.928 -10.285 1.00 8.98 C ATOM 2157 O ALA B 145 -5.977 -1.194 -11.011 1.00 11.62 O ATOM 2158 CB ALA B 145 -5.972 -4.311 -10.715 1.00 9.27 C ATOM 2159 H ALA B 145 -7.022 -3.062 -12.904 1.00 0.00 H ATOM 2160 N GLU B 146 -7.120 -1.520 -9.098 1.00 8.47 N ATOM 2161 CA GLU B 146 -6.720 -0.233 -8.559 1.00 8.65 C ATOM 2162 C GLU B 146 -6.218 -0.338 -7.125 1.00 10.52 C ATOM 2163 O GLU B 146 -6.784 -1.128 -6.330 1.00 11.03 O ATOM 2164 CB GLU B 146 -7.895 0.768 -8.528 1.00 11.12 C ATOM 2165 CG GLU B 146 -8.407 1.114 -9.919 1.00 14.37 C ATOM 2166 CD GLU B 146 -9.673 1.980 -9.883 1.00 19.39 C ATOM 2167 OE1 GLU B 146 -9.525 3.223 -9.745 1.00 22.42 O ATOM 2168 OE2 GLU B 146 -10.807 1.411 -9.967 1.00 22.03 O ATOM 2169 H GLU B 146 -7.753 -2.132 -8.545 1.00 0.00 H ATOM 2170 N GLY B 147 -5.157 0.444 -6.833 1.00 9.91 N ATOM 2171 CA GLY B 147 -4.652 0.533 -5.449 1.00 11.42 C ATOM 2172 C GLY B 147 -4.570 1.943 -4.993 1.00 12.23 C ATOM 2173 O GLY B 147 -4.031 2.771 -5.718 1.00 11.07 O ATOM 2174 H GLY B 147 -4.692 0.987 -7.588 1.00 0.00 H ATOM 2175 N ARG B 148 -5.088 2.192 -3.786 1.00 12.09 N ATOM 2176 CA ARG B 148 -5.035 3.492 -3.131 1.00 14.25 C ATOM 2177 C ARG B 148 -4.325 3.389 -1.778 1.00 15.73 C ATOM 2178 O ARG B 148 -4.244 2.329 -1.216 1.00 14.08 O ATOM 2179 CB ARG B 148 -6.504 4.012 -2.942 1.00 18.47 C ATOM 2180 CG ARG B 148 -7.265 4.375 -4.228 1.00 17.89 C ATOM 2181 CD ARG B 148 -8.775 4.618 -4.022 1.00 24.86 C ATOM 2182 NE ARG B 148 -9.258 5.180 -5.291 1.00 36.43 N ATOM 2183 CZ ARG B 148 -9.476 4.467 -6.405 1.00 33.23 C ATOM 2184 NH1 ARG B 148 -9.320 3.130 -6.418 1.00 36.43 N ATOM 2185 NH2 ARG B 148 -9.868 5.105 -7.499 1.00 30.63 N ATOM 2186 HE ARG B 148 -9.444 6.203 -5.327 1.00 0.00 H ATOM 2187 HH12 ARG B 148 -9.494 2.595 -7.292 1.00 0.00 H ATOM 2188 HH11 ARG B 148 -9.025 2.632 -5.554 1.00 0.00 H ATOM 2189 HH22 ARG B 148 -10.044 4.574 -8.376 1.00 0.00 H ATOM 2190 HH21 ARG B 148 -10.000 6.136 -7.480 1.00 0.00 H ATOM 2191 H ARG B 148 -5.557 1.411 -3.285 1.00 0.00 H ATOM 2192 N ASN B 149 -3.750 4.504 -1.285 1.00 21.92 N ATOM 2193 CA ASN B 149 -3.035 4.469 -0.011 1.00 25.48 C ATOM 2194 C ASN B 149 -3.959 4.365 1.152 1.00 22.52 C ATOM 2195 O ASN B 149 -5.104 4.734 1.049 1.00 31.42 O ATOM 2196 CB ASN B 149 -2.043 5.654 0.118 1.00 31.91 C ATOM 2197 CG ASN B 149 -0.912 5.531 -0.891 1.00 35.80 C ATOM 2198 OD1 ASN B 149 -0.839 6.322 -1.821 1.00 45.83 O ATOM 2199 ND2 ASN B 149 -0.074 4.478 -0.762 1.00 31.04 N ATOM 2200 HD22 ASN B 149 -0.173 3.831 0.046 1.00 0.00 H ATOM 2201 HD21 ASN B 149 0.670 4.315 -1.471 1.00 0.00 H ATOM 2202 H ASN B 149 -3.816 5.396 -1.815 1.00 0.00 H ATOM 2203 N ILE B 150 -3.487 3.750 2.238 1.00 24.21 N ATOM 2204 CA ILE B 150 -4.321 3.658 3.449 1.00 22.63 C ATOM 2205 C ILE B 150 -3.710 4.589 4.472 1.00 19.94 C ATOM 2206 O ILE B 150 -2.452 4.639 4.614 1.00 26.18 O ATOM 2207 CB ILE B 150 -4.386 2.209 3.959 1.00 22.76 C ATOM 2208 CG1 ILE B 150 -5.392 1.463 3.091 1.00 22.07 C ATOM 2209 CG2 ILE B 150 -4.738 2.130 5.478 1.00 21.55 C ATOM 2210 CD1 ILE B 150 -5.352 -0.020 3.308 1.00 18.53 C ATOM 2211 H ILE B 150 -2.533 3.337 2.230 1.00 0.00 H ATOM 2212 N THR B 151 -4.578 5.271 5.220 1.00 21.30 N ATOM 2213 CA THR B 151 -4.135 6.079 6.402 1.00 21.63 C ATOM 2214 C THR B 151 -3.605 5.219 7.536 1.00 26.81 C ATOM 2215 O THR B 151 -4.355 4.379 8.043 1.00 27.02 O ATOM 2216 CB THR B 151 -5.299 6.983 6.917 1.00 20.73 C ATOM 2217 OG1 THR B 151 -5.684 7.842 5.837 1.00 33.15 O ATOM 2218 CG2 THR B 151 -4.819 7.892 8.081 1.00 24.18 C ATOM 2219 HG1 THR B 151 -6.423 8.430 6.132 1.00 0.00 H ATOM 2220 H THR B 151 -5.589 5.241 4.977 1.00 0.00 H ATOM 2221 N ASP B 152 -2.332 5.442 7.928 1.00 31.87 N ATOM 2222 CA ASP B 152 -1.691 4.809 9.118 1.00 35.10 C ATOM 2223 C ASP B 152 -2.659 4.793 10.286 1.00 38.93 C ATOM 2224 O ASP B 152 -3.388 5.766 10.462 1.00 33.48 O ATOM 2225 CB ASP B 152 -0.535 5.690 9.569 1.00 49.52 C ATOM 2226 CG ASP B 152 0.809 5.069 9.324 1.00 74.84 C ATOM 2227 OD1 ASP B 152 1.021 4.497 8.231 1.00 94.55 O ATOM 2228 OD2 ASP B 152 1.665 5.167 10.235 1.00 66.44 O ATOM 2229 H ASP B 152 -1.759 6.100 7.362 1.00 0.00 H ATOM 2230 N LYS B 153 -2.631 3.722 11.093 1.00 45.47 N ATOM 2231 CA LYS B 153 -3.506 3.562 12.249 1.00 46.15 C ATOM 2232 C LYS B 153 -3.214 4.664 13.256 1.00 40.76 C ATOM 2233 O LYS B 153 -4.149 5.262 13.825 1.00 33.54 O ATOM 2234 CB LYS B 153 -3.285 2.191 12.897 1.00 49.59 C ATOM 2235 CG LYS B 153 -4.177 1.873 14.093 1.00 58.99 C ATOM 2236 CD LYS B 153 -4.110 0.394 14.492 1.00 72.26 C ATOM 2237 CE LYS B 153 -2.681 -0.127 14.699 1.00 49.43 C ATOM 2238 NZ LYS B 153 -1.887 0.719 15.645 1.00 51.25 N ATOM 2239 HZ1 LYS B 153 -1.822 1.687 15.271 1.00 0.00 H ATOM 2240 HZ2 LYS B 153 -2.358 0.735 16.572 1.00 0.00 H ATOM 2241 HZ3 LYS B 153 -0.932 0.320 15.746 1.00 0.00 H ATOM 2242 H LYS B 153 -1.949 2.965 10.883 1.00 0.00 H ATOM 2243 N LYS B 154 -1.923 4.961 13.443 1.00 34.58 N ATOM 2244 CA LYS B 154 -1.502 5.939 14.459 1.00 32.39 C ATOM 2245 C LYS B 154 -1.896 7.356 14.000 1.00 29.46 C ATOM 2246 O LYS B 154 -2.189 8.227 14.829 1.00 24.98 O ATOM 2247 CB LYS B 154 0.004 5.836 14.787 1.00 54.03 C ATOM 2248 CG LYS B 154 0.431 4.560 15.501 1.00 51.56 C ATOM 2249 CD LYS B 154 1.804 4.713 16.171 1.00 41.88 C ATOM 2250 CE LYS B 154 2.774 5.501 15.311 1.00 38.50 C ATOM 2251 NZ LYS B 154 3.926 4.741 14.721 1.00 55.20 N ATOM 2252 HZ1 LYS B 154 4.497 4.330 15.487 1.00 0.00 H ATOM 2253 HZ2 LYS B 154 3.562 3.980 14.112 1.00 0.00 H ATOM 2254 HZ3 LYS B 154 4.514 5.388 14.157 1.00 0.00 H ATOM 2255 H LYS B 154 -1.202 4.491 12.859 1.00 0.00 H ATOM 2256 N LYS B 155 -1.951 7.576 12.683 1.00 19.89 N ATOM 2257 CA LYS B 155 -2.325 8.842 12.164 1.00 21.10 C ATOM 2258 C LYS B 155 -3.788 9.099 12.436 1.00 21.14 C ATOM 2259 O LYS B 155 -4.156 10.225 12.781 1.00 22.00 O ATOM 2260 CB LYS B 155 -2.029 8.906 10.666 1.00 23.30 C ATOM 2261 CG LYS B 155 -0.733 9.643 10.436 1.00 42.29 C ATOM 2262 CD LYS B 155 -0.191 9.451 9.039 1.00 49.40 C ATOM 2263 CE LYS B 155 1.308 9.684 9.053 1.00 56.07 C ATOM 2264 NZ LYS B 155 1.967 8.943 7.941 1.00 60.71 N ATOM 2265 HZ1 LYS B 155 1.784 7.925 8.048 1.00 0.00 H ATOM 2266 HZ2 LYS B 155 1.584 9.272 7.032 1.00 0.00 H ATOM 2267 HZ3 LYS B 155 2.992 9.117 7.970 1.00 0.00 H ATOM 2268 H LYS B 155 -1.715 6.805 12.026 1.00 0.00 H ATOM 2269 N ALA B 156 -4.614 8.048 12.246 1.00 22.77 N ATOM 2270 CA ALA B 156 -6.043 8.187 12.449 1.00 21.05 C ATOM 2271 C ALA B 156 -6.346 8.432 13.938 1.00 23.17 C ATOM 2272 O ALA B 156 -7.157 9.315 14.285 1.00 25.72 O ATOM 2273 CB ALA B 156 -6.794 6.960 11.874 1.00 23.64 C ATOM 2274 H ALA B 156 -4.222 7.131 11.952 1.00 0.00 H ATOM 2275 N GLU B 157 -5.640 7.705 14.810 1.00 24.86 N ATOM 2276 CA GLU B 157 -5.743 7.925 16.254 1.00 21.52 C ATOM 2277 C GLU B 157 -5.355 9.362 16.613 1.00 21.30 C ATOM 2278 O GLU B 157 -6.001 10.008 17.456 1.00 25.20 O ATOM 2279 CB GLU B 157 -4.807 6.979 16.992 1.00 23.29 C ATOM 2280 CG GLU B 157 -5.398 5.561 17.034 1.00 32.36 C ATOM 2281 CD GLU B 157 -4.393 4.448 17.316 1.00 50.24 C ATOM 2282 OE1 GLU B 157 -4.801 3.289 17.114 1.00 53.09 O ATOM 2283 OE2 GLU B 157 -3.223 4.710 17.711 1.00 54.85 O ATOM 2284 H GLU B 157 -5.002 6.965 14.454 1.00 0.00 H ATOM 2285 N ALA B 158 -4.284 9.858 15.978 1.00 22.37 N ATOM 2286 CA ALA B 158 -3.822 11.252 16.263 1.00 25.19 C ATOM 2287 C ALA B 158 -4.852 12.270 15.794 1.00 22.03 C ATOM 2288 O ALA B 158 -5.104 13.300 16.519 1.00 22.29 O ATOM 2289 CB ALA B 158 -2.461 11.553 15.624 1.00 24.51 C ATOM 2290 H ALA B 158 -3.773 9.273 15.286 1.00 0.00 H HETATM 2291 N MSE B 159 -5.480 11.974 14.640 1.00 21.76 N HETATM 2292 CA MSE B 159 -6.549 12.854 14.131 1.00 20.36 C HETATM 2293 C MSE B 159 -7.674 12.986 15.131 1.00 18.91 C HETATM 2294 O MSE B 159 -8.164 14.100 15.412 1.00 21.70 O HETATM 2295 CB MSE B 159 -7.134 12.332 12.832 1.00 23.46 C HETATM 2296 CG MSE B 159 -6.144 12.637 11.712 1.00 35.54 C HETATM 2297 SE MSE B 159 -6.648 11.596 10.086 1.00 48.14 S HETATM 2298 CE MSE B 159 -8.021 12.891 9.443 1.00 50.72 C HETATM 2299 H MSE B 159 -5.211 11.123 14.106 1.00 0.00 H ATOM 2300 N LEU B 160 -8.145 11.848 15.659 1.00 17.92 N ATOM 2301 CA LEU B 160 -9.285 11.929 16.585 1.00 16.41 C ATOM 2302 C LEU B 160 -8.905 12.584 17.915 1.00 19.08 C ATOM 2303 O LEU B 160 -9.683 13.361 18.491 1.00 18.94 O ATOM 2304 CB LEU B 160 -9.926 10.566 16.814 1.00 17.95 C ATOM 2305 CG LEU B 160 -11.157 10.529 17.754 1.00 20.47 C ATOM 2306 CD1 LEU B 160 -12.385 11.197 17.161 1.00 25.21 C ATOM 2307 CD2 LEU B 160 -11.457 9.033 18.034 1.00 25.36 C ATOM 2308 H LEU B 160 -7.716 10.931 15.420 1.00 0.00 H ATOM 2309 N ALA B 161 -7.667 12.284 18.383 1.00 18.20 N ATOM 2310 CA ALA B 161 -7.189 12.882 19.652 1.00 19.14 C ATOM 2311 C ALA B 161 -7.120 14.382 19.552 1.00 18.06 C ATOM 2312 O ALA B 161 -7.434 15.066 20.519 1.00 20.77 O ATOM 2313 CB ALA B 161 -5.796 12.303 20.043 1.00 22.17 C ATOM 2314 H ALA B 161 -7.053 11.634 17.851 1.00 0.00 H ATOM 2315 N LEU B 162 -6.647 14.858 18.376 1.00 18.86 N ATOM 2316 CA LEU B 162 -6.517 16.275 18.101 1.00 19.80 C ATOM 2317 C LEU B 162 -7.897 16.930 18.057 1.00 21.56 C ATOM 2318 O LEU B 162 -8.102 17.939 18.733 1.00 24.52 O ATOM 2319 CB LEU B 162 -5.717 16.516 16.785 1.00 23.37 C ATOM 2320 CG LEU B 162 -5.503 17.995 16.409 1.00 26.58 C ATOM 2321 CD1 LEU B 162 -4.698 18.717 17.494 1.00 27.05 C ATOM 2322 CD2 LEU B 162 -4.833 18.133 15.048 1.00 34.79 C ATOM 2323 H LEU B 162 -6.366 14.179 17.640 1.00 0.00 H ATOM 2324 N LYS B 163 -8.831 16.357 17.273 1.00 22.80 N ATOM 2325 CA LYS B 163 -10.251 16.882 17.240 1.00 27.74 C ATOM 2326 C LYS B 163 -10.945 16.953 18.605 1.00 28.97 C ATOM 2327 O LYS B 163 -11.612 17.961 18.943 1.00 29.11 O ATOM 2328 CB LYS B 163 -11.162 16.090 16.255 1.00 33.38 C ATOM 2329 CG LYS B 163 -10.790 16.252 14.791 1.00 33.82 C ATOM 2330 CD LYS B 163 -11.560 15.319 13.881 1.00 37.20 C ATOM 2331 CE LYS B 163 -11.206 15.587 12.421 1.00 50.86 C ATOM 2332 NZ LYS B 163 -9.923 14.985 11.945 1.00 57.79 N ATOM 2333 HZ1 LYS B 163 -9.135 15.360 12.511 1.00 0.00 H ATOM 2334 HZ2 LYS B 163 -9.966 13.951 12.051 1.00 0.00 H ATOM 2335 HZ3 LYS B 163 -9.778 15.227 10.944 1.00 0.00 H ATOM 2336 H LYS B 163 -8.573 15.542 16.681 1.00 0.00 H ATOM 2337 N ASN B 164 -10.870 15.863 19.385 1.00 24.51 N ATOM 2338 CA ASN B 164 -11.413 15.897 20.759 1.00 26.29 C ATOM 2339 C ASN B 164 -10.767 17.004 21.600 1.00 35.22 C ATOM 2340 O ASN B 164 -11.439 17.698 22.411 1.00 30.89 O ATOM 2341 CB ASN B 164 -11.280 14.512 21.458 1.00 25.33 C ATOM 2342 CG ASN B 164 -12.371 13.528 21.008 1.00 35.72 C ATOM 2343 OD1 ASN B 164 -13.342 13.926 20.380 1.00 35.00 O ATOM 2344 ND2 ASN B 164 -12.217 12.245 21.345 1.00 40.05 N ATOM 2345 HD22 ASN B 164 -11.377 11.945 21.880 1.00 0.00 H ATOM 2346 HD21 ASN B 164 -12.937 11.546 21.073 1.00 0.00 H ATOM 2347 H ASN B 164 -10.429 14.994 19.022 1.00 0.00 H ATOM 2348 N GLN B 165 -9.468 17.196 21.385 1.00 31.32 N ATOM 2349 CA GLN B 165 -8.726 18.160 22.192 1.00 31.44 C ATOM 2350 C GLN B 165 -9.100 19.592 21.756 1.00 28.09 C ATOM 2351 O GLN B 165 -9.269 20.483 22.634 1.00 29.32 O ATOM 2352 CB GLN B 165 -7.208 17.818 22.155 1.00 21.23 C ATOM 2353 CG GLN B 165 -6.308 18.607 23.077 1.00 31.43 C ATOM 2354 CD GLN B 165 -6.164 20.023 22.591 1.00 42.46 C ATOM 2355 OE1 GLN B 165 -5.872 20.281 21.401 1.00 43.44 O ATOM 2356 NE2 GLN B 165 -6.383 20.964 23.500 1.00 48.51 N ATOM 2357 HE22 GLN B 165 -6.623 20.698 24.476 1.00 0.00 H ATOM 2358 HE21 GLN B 165 -6.315 21.968 23.236 1.00 0.00 H ATOM 2359 H GLN B 165 -8.980 16.658 20.640 1.00 0.00 H ATOM 2360 N GLU B 166 -9.333 19.801 20.447 1.00 30.16 N ATOM 2361 CA GLU B 166 -9.589 21.182 19.896 1.00 35.15 C ATOM 2362 C GLU B 166 -10.955 21.753 20.253 1.00 46.03 C ATOM 2363 O GLU B 166 -11.125 22.995 20.267 1.00 33.56 O ATOM 2364 CB GLU B 166 -9.512 21.277 18.347 1.00 35.57 C ATOM 2365 CG GLU B 166 -8.811 20.212 17.544 1.00 45.20 C ATOM 2366 CD GLU B 166 -8.834 20.541 16.058 1.00 68.99 C ATOM 2367 OE1 GLU B 166 -9.704 20.007 15.325 1.00 71.82 O ATOM 2368 OE2 GLU B 166 -7.997 21.365 15.624 1.00 71.66 O ATOM 2369 H GLU B 166 -9.337 18.989 19.798 1.00 0.00 H ATOM 2370 N LEU B 167 -11.928 20.862 20.481 1.00 28.87 N ATOM 2371 CA LEU B 167 -13.369 21.241 20.607 1.00 28.75 C ATOM 2372 C LEU B 167 -13.690 22.466 21.511 1.00 32.62 C ATOM 2373 O LEU B 167 -13.084 22.661 22.590 1.00 40.77 O ATOM 2374 CB LEU B 167 -14.238 19.986 20.967 1.00 36.40 C ATOM 2375 CG LEU B 167 -15.780 20.093 20.872 1.00 41.39 C ATOM 2376 CD1 LEU B 167 -16.309 20.243 19.448 1.00 36.25 C ATOM 2377 CD2 LEU B 167 -16.453 18.877 21.517 1.00 36.78 C ATOM 2378 H LEU B 167 -11.669 19.859 20.575 1.00 0.00 H TER 2379 LEU B 167 HETATM 2380 O HOH 1 4.478 11.877 -16.699 1.00 36.13 O HETATM 2381 O HOH 2 1.917 12.723 -16.541 1.00 38.77 O HETATM 2382 O HOH 3 -2.633 -3.703 -40.333 1.00 36.11 O HETATM 2383 O HOH 4 -7.789 20.995 -30.705 1.00 33.07 O HETATM 2384 O HOH 5 -21.750 6.153 -8.037 1.00 39.29 O HETATM 2385 O HOH 6 6.920 14.867 -21.624 1.00 33.72 O HETATM 2386 O HOH 7 -9.991 10.558 -36.506 1.00 31.84 O HETATM 2387 O HOH 8 -0.309 6.533 -13.400 1.00 19.27 O HETATM 2388 O HOH 9 3.071 8.856 -16.469 1.00 61.10 O HETATM 2389 O HOH 10 -17.825 -2.106 -19.111 1.00 25.11 O HETATM 2390 O HOH 11 -17.904 16.896 -23.430 1.00 31.86 O HETATM 2391 O HOH 12 -18.379 -2.441 -14.503 1.00 26.62 O HETATM 2392 O HOH 13 -0.418 11.760 -33.662 1.00 23.68 O HETATM 2393 O HOH 14 -18.231 8.687 -11.920 1.00 44.55 O HETATM 2394 O HOH 15 0.058 -1.043 -44.767 1.00 61.24 O HETATM 2395 O HOH 16 1.819 -4.325 -45.355 1.00 42.11 O HETATM 2396 O HOH 17 -12.957 -0.611 -26.050 1.00 24.30 O HETATM 2397 O HOH 18 -12.861 15.491 -21.270 1.00 25.50 O HETATM 2398 O HOH 19 7.199 8.169 -31.810 1.00 32.00 O HETATM 2399 O HOH 20 6.532 7.070 -23.442 1.00 30.83 O HETATM 2400 O HOH 21 -10.620 -1.917 -49.008 1.00 27.65 O HETATM 2401 O HOH 22 -14.744 12.004 -38.717 1.00 63.14 O HETATM 2402 O HOH 23 1.275 2.424 -35.190 1.00 23.97 O HETATM 2403 O HOH 24 -20.012 17.109 -29.167 1.00 27.49 O HETATM 2404 O HOH 25 -23.033 11.911 -22.257 1.00 59.82 O HETATM 2405 O HOH 26 -15.131 -1.044 -36.272 1.00 30.15 O HETATM 2406 O HOH 27 0.019 5.168 -19.130 1.00 34.60 O HETATM 2407 O HOH 28 -13.621 20.112 -33.835 1.00 24.20 O HETATM 2408 O HOH 29 -12.856 -8.859 -43.962 1.00 22.41 O HETATM 2409 O HOH 30 -4.762 20.352 -33.913 1.00 27.18 O HETATM 2410 O HOH 31 -2.596 -6.078 -47.019 1.00 26.13 O HETATM 2411 O HOH 32 1.495 6.249 -45.809 1.00 35.30 O HETATM 2412 O HOH 33 -22.607 3.701 -30.344 1.00 31.33 O HETATM 2413 O HOH 34 -10.322 -5.664 -35.576 1.00 50.28 O HETATM 2414 O HOH 35 7.248 12.089 -33.928 1.00 30.89 O HETATM 2415 O HOH 36 -17.389 1.678 -38.973 1.00 38.08 O HETATM 2416 O HOH 37 -5.582 0.384 -46.406 1.00 31.21 O HETATM 2417 O HOH 38 -10.012 -2.760 -55.175 1.00 33.87 O HETATM 2418 O HOH 39 2.940 2.053 -32.614 1.00 22.31 O HETATM 2419 O HOH 40 -18.905 19.417 -42.555 1.00 25.43 O HETATM 2420 O HOH 41 -18.633 -0.477 -7.060 1.00 33.61 O HETATM 2421 O HOH 42 -7.620 12.054 -36.657 1.00 14.85 O HETATM 2422 O HOH 43 -23.164 0.997 -19.848 1.00 34.15 O HETATM 2423 O HOH 44 -3.888 18.039 -17.336 1.00 30.56 O HETATM 2424 O HOH 45 -18.685 16.857 -31.546 1.00 18.41 O HETATM 2425 O HOH 46 6.214 17.837 -25.708 1.00 34.79 O HETATM 2426 O HOH 47 -8.265 16.220 -15.495 1.00 39.76 O HETATM 2427 O HOH 48 -9.291 7.308 -10.068 1.00 38.48 O HETATM 2428 O HOH 49 -12.343 10.747 -35.315 1.00 24.87 O HETATM 2429 O HOH 50 -24.238 0.800 -28.468 1.00 44.51 O HETATM 2430 O HOH 51 -17.048 15.028 -21.559 1.00 33.03 O HETATM 2431 O HOH 52 -0.064 0.138 -36.075 1.00 36.57 O HETATM 2432 O HOH 53 -18.241 20.696 -29.340 1.00 26.86 O HETATM 2433 O HOH 54 -13.197 20.466 -26.804 1.00 39.74 O HETATM 2434 O HOH 55 -24.728 1.385 -15.845 1.00 38.34 O HETATM 2435 O HOH 56 -0.312 -3.665 -27.992 1.00 27.25 O HETATM 2436 O HOH 57 -13.193 -5.350 -25.990 1.00 36.17 O HETATM 2437 O HOH 58 -21.113 -0.191 -18.719 1.00 31.56 O HETATM 2438 O HOH 59 -1.905 -5.611 -26.939 1.00 26.96 O HETATM 2439 O HOH 60 -8.837 13.657 -15.194 1.00 45.81 O HETATM 2440 O HOH 61 -10.307 18.499 -19.127 1.00 27.47 O HETATM 2441 O HOH 62 -5.492 19.589 -29.689 1.00 25.45 O HETATM 2442 O HOH 63 -1.481 14.949 -28.406 1.00 23.04 O HETATM 2443 O HOH 64 -10.744 10.945 -41.712 1.00 35.85 O HETATM 2444 O HOH 65 -5.537 14.624 -24.169 1.00 17.83 O HETATM 2445 O HOH 66 -20.561 9.477 -14.827 1.00 20.45 O HETATM 2446 O HOH 67 -0.344 3.600 -43.345 1.00 29.70 O HETATM 2447 O HOH 68 -17.026 -2.105 -3.121 1.00 27.98 O HETATM 2448 O HOH 69 1.158 15.405 -28.948 1.00 30.12 O HETATM 2449 O HOH 70 -5.696 -9.953 -50.712 1.00 27.52 O HETATM 2450 O HOH 71 2.422 0.140 -22.434 1.00 29.27 O HETATM 2451 O HOH 72 -22.946 11.971 -28.238 1.00 30.70 O HETATM 2452 O HOH 73 5.767 16.655 -23.235 1.00 35.28 O HETATM 2453 O HOH 74 -13.952 -13.819 -62.213 1.00 50.36 O HETATM 2454 O HOH 75 10.228 13.949 -40.363 1.00 28.30 O HETATM 2455 O HOH 76 -0.103 -0.243 -40.986 1.00 32.20 O HETATM 2456 O HOH 77 -4.785 -5.002 -40.764 1.00 26.17 O HETATM 2457 O HOH 78 -11.204 9.517 -39.097 1.00 44.71 O HETATM 2458 O HOH 79 4.918 3.492 -36.266 1.00 29.96 O HETATM 2459 O HOH 80 -20.045 10.205 -17.350 1.00 31.35 O HETATM 2460 O HOH 81 -0.833 6.402 -44.729 1.00 28.27 O HETATM 2461 O HOH 82 -11.525 -2.046 -31.019 1.00 25.89 O HETATM 2462 O HOH 83 -4.229 19.491 -36.673 1.00 40.23 O HETATM 2463 O HOH 84 6.406 5.617 -34.619 1.00 23.87 O HETATM 2464 O HOH 85 -26.855 -1.329 -7.905 1.00 37.97 O HETATM 2465 O HOH 86 -2.551 17.302 -37.115 1.00 32.20 O HETATM 2466 O HOH 87 -8.200 -11.148 -61.966 1.00 56.82 O HETATM 2467 O HOH 88 -24.812 0.611 -26.011 1.00 28.03 O HETATM 2468 O HOH 89 -21.008 2.521 -32.384 1.00 29.14 O HETATM 2469 O HOH 90 -22.770 -2.193 -12.818 1.00 36.79 O HETATM 2470 O HOH 91 -22.772 8.116 -14.976 1.00 23.09 O HETATM 2471 O HOH 92 -3.441 9.489 -14.247 1.00 43.51 O HETATM 2472 O HOH 93 -13.572 17.353 -17.297 1.00 32.51 O HETATM 2473 O HOH 94 7.395 2.014 -33.761 1.00 51.97 O HETATM 2474 O HOH 95 -17.029 4.383 -7.746 1.00 30.94 O HETATM 2475 O HOH 96 -4.818 -2.718 -52.208 1.00 37.16 O HETATM 2476 O HOH 97 -18.179 -1.492 -28.137 1.00 30.70 O HETATM 2477 O HOH 98 -3.699 -15.156 -56.360 1.00 42.12 O HETATM 2478 O HOH 99 -14.561 10.272 -13.487 1.00 58.26 O HETATM 2479 O HOH 100 -13.171 -4.784 -58.661 1.00 29.07 O HETATM 2480 O HOH 101 -2.154 -6.165 -32.206 1.00 40.64 O HETATM 2481 O HOH 102 -4.081 5.251 -44.606 1.00 43.52 O HETATM 2482 O HOH 103 -19.858 6.901 -35.707 1.00 44.01 O HETATM 2483 O HOH 104 2.557 -1.018 -25.336 1.00 31.66 O HETATM 2484 O HOH 105 -12.031 -3.512 -50.651 1.00 42.74 O HETATM 2485 O HOH 106 -12.771 5.317 -9.078 1.00 40.21 O HETATM 2486 O HOH 107 -18.827 21.258 -25.262 1.00 51.99 O HETATM 2487 O HOH 108 -11.095 3.645 -41.325 1.00 30.04 O HETATM 2488 O HOH 109 -13.429 -7.190 -31.878 1.00 43.47 O HETATM 2489 O HOH 110 -2.673 17.109 -27.116 1.00 34.05 O HETATM 2490 O HOH 111 8.853 8.007 -36.940 1.00 46.91 O HETATM 2491 O HOH 112 11.494 12.855 -34.451 1.00 44.81 O HETATM 2492 O HOH 113 -0.968 2.577 -46.001 1.00 33.81 O HETATM 2493 O HOH 114 -2.929 -6.573 -49.797 1.00 35.32 O HETATM 2494 O HOH 115 -22.758 11.742 -19.526 1.00 30.99 O HETATM 2495 O HOH 116 -24.822 8.536 -13.020 1.00 46.11 O HETATM 2496 O HOH 117 -19.642 13.662 -21.262 1.00 34.75 O HETATM 2497 O HOH 118 5.585 3.229 -33.555 1.00 32.74 O HETATM 2498 O HOH 119 -4.393 16.995 -25.256 1.00 23.09 O HETATM 2499 O HOH 120 -18.704 -8.169 -32.053 1.00 40.78 O HETATM 2500 O HOH 121 -13.865 20.469 -29.334 1.00 43.56 O HETATM 2501 O HOH 122 -14.782 19.283 -31.459 1.00 26.56 O HETATM 2502 O HOH 123 -12.504 23.569 -29.819 1.00 73.54 O HETATM 2503 O HOH 124 10.731 9.737 -38.524 1.00 38.09 O HETATM 2504 O HOH 125 -5.774 -10.989 -53.504 1.00 37.57 O HETATM 2505 O HOH 126 -26.591 7.493 -12.033 1.00 33.55 O HETATM 2506 O HOH 127 -18.574 2.248 -6.047 1.00 43.81 O HETATM 2507 O HOH 128 0.995 15.541 -16.879 1.00 33.40 O HETATM 2508 O HOH 129 -6.803 0.307 -48.946 1.00 34.48 O HETATM 2509 O HOH 130 -17.504 -1.845 -36.780 1.00 51.46 O HETATM 2510 O HOH 131 11.793 11.675 -40.150 1.00 49.67 O HETATM 2511 O HOH 132 -10.893 -8.247 -34.535 1.00 63.05 O HETATM 2512 O HOH 133 0.310 1.280 -42.892 1.00 36.66 O HETATM 2513 O HOH 134 -13.519 9.971 -37.672 1.00 35.65 O HETATM 2514 O HOH 135 -7.595 -1.374 -55.450 1.00 44.37 O HETATM 2515 O HOH 136 8.810 6.055 -31.151 1.00 54.49 O HETATM 2516 O HOH 137 -4.559 12.246 -14.312 1.00 47.86 O HETATM 2517 O HOH 138 -13.164 -8.890 -26.648 1.00 44.94 O HETATM 2518 O HOH 139 -15.320 -5.349 -26.544 1.00 54.02 O HETATM 2519 O HOH 140 -20.506 16.430 -21.549 1.00 43.82 O HETATM 2520 O HOH 141 -14.166 18.044 -20.977 1.00 33.26 O HETATM 2521 O HOH 142 -11.150 9.432 -12.605 1.00 35.51 O HETATM 2522 O HOH 143 -17.571 16.825 -19.015 1.00 47.70 O HETATM 2523 O HOH 144 -11.406 -1.552 -53.107 1.00 51.29 O HETATM 2524 O HOH 145 -15.552 2.483 -9.032 1.00 29.65 O HETATM 2525 O HOH 146 -16.308 18.958 -22.850 1.00 31.15 O HETATM 2526 O HOH 147 -5.794 -0.287 -51.367 1.00 36.26 O HETATM 2527 O HOH 148 3.748 -0.606 -33.086 1.00 33.06 O HETATM 2528 O HOH 149 -3.171 -9.141 -50.503 1.00 38.71 O HETATM 2529 O HOH 150 -5.311 19.548 -24.902 1.00 34.84 O HETATM 2530 O HOH 151 11.148 10.698 -32.812 1.00 46.16 O HETATM 2531 O HOH 152 1.828 -5.861 -24.306 1.00 38.45 O HETATM 2532 O HOH 153 -9.019 -6.558 -26.989 1.00 40.33 O HETATM 2533 O HOH 154 14.215 -3.537 -6.251 1.00 40.72 O HETATM 2534 O HOH 155 15.847 -4.166 -4.147 1.00 35.76 O HETATM 2535 O HOH 156 -1.106 -9.206 -0.352 1.00 21.49 O HETATM 2536 O HOH 157 8.424 0.925 5.903 1.00 77.92 O HETATM 2537 O HOH 158 -24.726 -2.095 -27.934 1.00 34.94 O HETATM 2538 O HOH 159 -15.035 -13.981 -16.614 1.00 40.53 O HETATM 2539 O HOH 160 1.968 5.911 -4.370 1.00 41.96 O HETATM 2540 O HOH 161 11.937 2.333 5.607 1.00 49.65 O HETATM 2541 O HOH 162 -4.988 23.096 23.711 1.00 41.39 O HETATM 2542 O HOH 163 -21.369 -10.950 -17.230 1.00 52.01 O HETATM 2543 O HOH 164 -7.532 -15.014 -21.345 1.00 36.04 O HETATM 2544 O HOH 165 -10.858 -1.102 -9.369 1.00 17.93 O HETATM 2545 O HOH 166 -10.322 -1.588 1.222 1.00 22.83 O HETATM 2546 O HOH 167 -25.186 -3.397 -25.652 1.00 32.95 O HETATM 2547 O HOH 168 -23.294 -11.285 -4.770 1.00 23.15 O HETATM 2548 O HOH 169 -12.781 2.734 -8.884 1.00 33.59 O HETATM 2549 O HOH 170 -20.575 -7.950 -29.938 1.00 30.62 O HETATM 2550 O HOH 171 -8.258 -19.130 -11.956 1.00 20.95 O HETATM 2551 O HOH 172 -9.167 -19.775 -5.834 1.00 22.24 O HETATM 2552 O HOH 173 5.166 2.658 -3.537 1.00 28.06 O HETATM 2553 O HOH 174 -8.005 14.283 22.973 1.00 28.55 O HETATM 2554 O HOH 175 0.176 -2.915 -24.910 1.00 26.41 O HETATM 2555 O HOH 176 12.871 -8.066 -16.463 1.00 42.80 O HETATM 2556 O HOH 177 -4.566 -15.926 -15.170 1.00 25.62 O HETATM 2557 O HOH 178 2.594 -3.841 7.079 1.00 40.27 O HETATM 2558 O HOH 179 -3.003 8.710 -10.083 1.00 48.34 O HETATM 2559 O HOH 180 -16.059 -13.481 -18.888 1.00 32.38 O HETATM 2560 O HOH 181 -0.726 3.270 1.978 1.00 27.56 O HETATM 2561 O HOH 182 -1.005 8.462 17.248 1.00 36.71 O HETATM 2562 O HOH 183 -15.462 -5.333 -0.155 1.00 17.10 O HETATM 2563 O HOH 184 -0.094 7.201 -9.291 1.00 33.36 O HETATM 2564 O HOH 185 -18.260 -4.469 -26.809 1.00 43.76 O HETATM 2565 O HOH 186 10.283 -1.472 -12.963 1.00 51.13 O HETATM 2566 O HOH 187 -20.532 -7.106 -6.169 1.00 17.17 O HETATM 2567 O HOH 188 6.053 -12.280 -19.276 1.00 20.32 O HETATM 2568 O HOH 189 13.063 -5.237 3.715 1.00 11.95 O HETATM 2569 O HOH 190 -14.544 -16.571 -12.222 1.00 32.36 O HETATM 2570 O HOH 191 7.097 -1.483 5.600 1.00 46.21 O HETATM 2571 O HOH 192 -22.458 -7.994 -17.021 1.00 46.66 O HETATM 2572 O HOH 193 3.954 1.113 -17.446 1.00 36.10 O HETATM 2573 O HOH 194 12.081 0.122 -8.591 1.00 31.30 O HETATM 2574 O HOH 195 -8.387 4.868 -0.022 1.00 39.48 O HETATM 2575 O HOH 196 -19.209 -11.691 -25.498 1.00 31.82 O HETATM 2576 O HOH 197 -1.236 -19.536 -2.838 1.00 15.01 O HETATM 2577 O HOH 198 7.889 -14.512 -0.481 1.00 16.87 O HETATM 2578 O HOH 199 -22.889 -13.104 -24.938 1.00 48.71 O HETATM 2579 O HOH 200 1.863 -9.677 -0.719 1.00 9.71 O HETATM 2580 O HOH 201 -8.658 -16.765 -13.255 1.00 27.80 O HETATM 2581 O HOH 202 12.640 -7.367 -11.324 1.00 38.26 O HETATM 2582 O HOH 203 0.100 9.674 14.143 1.00 51.26 O HETATM 2583 O HOH 204 1.584 0.944 4.704 1.00 32.88 O HETATM 2584 O HOH 205 5.637 3.681 -6.397 1.00 27.82 O HETATM 2585 O HOH 206 5.059 -16.154 -8.426 1.00 18.79 O HETATM 2586 O HOH 207 -2.100 -20.273 -9.492 1.00 27.34 O HETATM 2587 O HOH 208 9.454 -9.492 -10.238 1.00 25.82 O HETATM 2588 O HOH 209 -4.485 -12.621 2.746 1.00 15.72 O HETATM 2589 O HOH 210 -12.724 -17.998 -6.330 1.00 32.50 O HETATM 2590 O HOH 211 2.879 4.430 -16.553 1.00 33.73 O HETATM 2591 O HOH 212 -13.763 -11.603 -3.214 1.00 10.05 O HETATM 2592 O HOH 213 -8.908 0.892 -4.730 1.00 21.88 O HETATM 2593 O HOH 214 -18.790 -13.536 -15.461 1.00 24.14 O HETATM 2594 O HOH 215 -14.758 -3.082 -6.796 1.00 22.74 O HETATM 2595 O HOH 216 7.563 -6.733 -5.323 1.00 13.31 O HETATM 2596 O HOH 217 -23.562 -4.500 -31.668 1.00 24.27 O HETATM 2597 O HOH 218 -7.194 -16.529 1.092 1.00 16.39 O HETATM 2598 O HOH 219 8.419 -3.621 5.107 1.00 20.28 O HETATM 2599 O HOH 220 -3.571 -10.482 -1.116 1.00 16.71 O HETATM 2600 O HOH 221 10.305 2.271 -5.028 1.00 24.56 O HETATM 2601 O HOH 222 -2.216 -8.903 2.423 1.00 19.86 O HETATM 2602 O HOH 223 -13.897 -12.804 -21.749 1.00 31.75 O HETATM 2603 O HOH 224 -20.654 -7.264 -12.865 1.00 35.12 O HETATM 2604 O HOH 225 6.652 -10.207 -10.396 1.00 15.76 O HETATM 2605 O HOH 226 1.718 -1.365 -19.191 1.00 26.71 O HETATM 2606 O HOH 227 -9.662 -16.000 0.157 1.00 14.06 O HETATM 2607 O HOH 228 7.172 -16.217 -4.527 1.00 30.43 O HETATM 2608 O HOH 229 1.328 8.136 -2.444 1.00 50.54 O HETATM 2609 O HOH 230 -6.384 -8.923 2.747 1.00 28.95 O HETATM 2610 O HOH 231 -6.355 -22.245 -6.111 1.00 27.62 O HETATM 2611 O HOH 232 -10.468 -4.967 4.067 1.00 27.46 O HETATM 2612 O HOH 233 8.681 -2.543 -17.344 1.00 24.53 O HETATM 2613 O HOH 234 -0.867 7.624 6.692 1.00 42.44 O HETATM 2614 O HOH 235 2.035 -11.776 -13.544 1.00 11.41 O HETATM 2615 O HOH 236 -2.518 12.534 12.049 1.00 32.07 O HETATM 2616 O HOH 237 3.811 -19.168 2.452 1.00 14.59 O HETATM 2617 O HOH 238 -14.020 -7.860 -1.624 1.00 12.40 O HETATM 2618 O HOH 239 0.504 3.488 12.367 1.00 52.16 O HETATM 2619 O HOH 240 -19.112 -12.619 -18.079 1.00 21.76 O HETATM 2620 O HOH 241 11.028 4.366 -0.693 1.00 48.39 O HETATM 2621 O HOH 242 -2.983 15.102 17.548 1.00 24.54 O HETATM 2622 O HOH 243 -9.510 1.515 3.165 1.00 37.30 O HETATM 2623 O HOH 244 -15.546 14.344 22.339 1.00 40.67 O HETATM 2624 O HOH 245 -10.839 -10.591 2.314 1.00 30.09 O HETATM 2625 O HOH 246 -3.928 13.999 13.026 1.00 56.25 O HETATM 2626 O HOH 247 13.510 -11.349 -4.001 1.00 24.97 O HETATM 2627 O HOH 248 -0.571 -10.065 -21.888 1.00 22.91 O HETATM 2628 O HOH 249 9.648 -4.643 -19.194 1.00 22.45 O HETATM 2629 O HOH 250 -20.745 -13.224 -8.824 1.00 38.18 O HETATM 2630 O HOH 251 -7.275 -23.121 -10.244 1.00 33.56 O HETATM 2631 O HOH 252 -15.437 -8.183 -26.530 1.00 39.45 O HETATM 2632 O HOH 253 -11.063 -8.486 -25.196 1.00 49.28 O HETATM 2633 O HOH 254 4.390 -16.469 -1.234 1.00 18.33 O HETATM 2634 O HOH 255 -22.024 -7.355 -8.401 1.00 35.45 O HETATM 2635 O HOH 256 12.153 -5.319 -20.141 1.00 37.89 O HETATM 2636 O HOH 257 -17.028 -16.432 -7.760 1.00 47.76 O HETATM 2637 O HOH 258 -8.994 -22.112 -6.489 1.00 36.93 O HETATM 2638 O HOH 259 0.801 -18.534 3.956 1.00 15.34 O HETATM 2639 O HOH 260 2.659 5.869 -13.457 1.00 27.00 O HETATM 2640 O HOH 261 -6.989 23.510 21.815 1.00 37.98 O HETATM 2641 O HOH 262 13.893 -5.646 -7.709 1.00 54.88 O HETATM 2642 O HOH 263 11.723 -6.710 -6.229 1.00 25.24 O HETATM 2643 O HOH 264 12.036 5.364 -13.701 1.00 43.16 O HETATM 2644 O HOH 265 13.285 -6.305 -3.644 1.00 23.28 O HETATM 2645 O HOH 266 11.333 -8.305 -8.639 1.00 32.35 O HETATM 2646 O HOH 267 12.445 3.930 3.213 1.00 51.86 O HETATM 2647 O HOH 268 -3.735 -3.619 4.938 1.00 24.67 O HETATM 2648 O HOH 269 2.533 3.886 -2.643 1.00 42.09 O HETATM 2649 O HOH 270 -10.852 -15.700 -13.489 1.00 30.30 O HETATM 2650 O HOH 271 -3.015 9.541 -5.825 1.00 45.06 O HETATM 2651 O HOH 272 6.256 -12.696 -11.288 1.00 28.62 O HETATM 2652 O HOH 273 -4.509 21.950 18.843 1.00 45.91 O HETATM 2653 O HOH 274 -4.355 -6.119 5.544 1.00 41.75 O HETATM 2654 O HOH 275 -19.706 -5.361 -14.584 1.00 46.81 O HETATM 2655 O HOH 276 4.202 -13.374 -12.922 1.00 21.59 O HETATM 2656 O HOH 277 -3.046 9.591 19.407 1.00 38.40 O HETATM 2657 O HOH 278 -12.719 -14.652 -20.945 1.00 50.77 O HETATM 2658 O HOH 279 -13.925 24.040 18.173 1.00 41.73 O HETATM 2659 O HOH 280 8.353 3.939 -6.052 1.00 37.38 O HETATM 2660 O HOH 281 -8.579 4.237 2.458 1.00 40.71 O HETATM 2661 O HOH 282 7.181 -16.595 -14.467 1.00 34.24 O HETATM 2662 O HOH 283 -23.272 -9.578 -8.113 1.00 36.11 O HETATM 2663 O HOH 284 -2.070 -20.519 -7.081 1.00 37.52 O HETATM 2664 O HOH 285 -3.294 -19.493 -4.906 1.00 18.33 O HETATM 2665 O HOH 286 -14.863 -11.166 -26.303 1.00 52.06 O HETATM 2666 O HOH 287 8.315 -3.532 -21.173 1.00 57.32 O HETATM 2667 O HOH 288 5.724 -17.131 -10.858 1.00 29.39 O HETATM 2668 O HOH 289 -8.827 -19.080 -15.654 1.00 47.71 O HETATM 2669 O HOH 290 -15.039 -17.770 -7.856 1.00 33.46 O HETATM 2670 O HOH 291 -8.861 16.263 25.345 1.00 58.25 O HETATM 2671 O HOH 292 -4.385 -10.134 1.413 1.00 17.60 O HETATM 2672 O HOH 293 -21.066 -16.743 -11.134 1.00 57.99 O HETATM 2673 O HOH 294 -21.083 -14.023 -19.470 1.00 53.32 O HETATM 2674 O HOH 295 4.437 7.807 -13.848 1.00 33.43 O HETATM 2675 O HOH 296 -2.245 0.567 7.547 1.00 40.10 O HETATM 2676 O HOH 297 -4.696 -18.772 -14.918 1.00 29.18 O HETATM 2677 O HOH 298 -8.524 2.598 6.260 1.00 23.63 O HETATM 2678 O HOH 299 -5.271 -9.457 5.415 1.00 40.37 O HETATM 2679 O HOH 300 8.423 -13.832 -4.886 1.00 24.77 O HETATM 2680 O HOH 301 -5.785 -20.676 -4.016 1.00 18.60 O HETATM 2681 O HOH 302 0.266 -22.448 -10.451 1.00 48.92 O HETATM 2682 O HOH 303 4.555 -15.989 -13.056 1.00 21.15 O HETATM 2683 O HOH 304 2.875 -17.984 -14.359 1.00 32.02 O HETATM 2684 O HOH 305 -0.478 -8.769 -23.813 1.00 35.45 O HETATM 2685 O HOH 306 8.599 -13.902 -11.067 1.00 51.98 O HETATM 2686 O HOH 307 9.590 -2.722 -23.102 1.00 36.23 O HETATM 2687 O HOH 308 6.145 7.052 -3.903 1.00 42.13 O HETATM 2688 C MBN A 309 -5.313 5.267 -27.146 1.00 -0.03 C HETATM 2689 C1 MBN A 309 -5.981 4.963 -28.427 1.00 -0.05 C HETATM 2690 C2 MBN A 309 -5.704 5.670 -29.564 1.00 -0.06 C HETATM 2691 C3 MBN A 309 -6.339 5.413 -30.776 1.00 -0.07 C HETATM 2692 C4 MBN A 309 -7.304 4.378 -30.835 1.00 -0.07 C HETATM 2693 C5 MBN A 309 -7.554 3.669 -29.609 1.00 -0.07 C HETATM 2694 C6 MBN A 309 -6.902 3.952 -28.415 1.00 -0.06 C HETATM 2695 H8 MBN A 309 -7.115 3.394 -27.510 1.00 0.06 H HETATM 2696 H7 MBN A 309 -8.289 2.873 -29.617 1.00 0.06 H HETATM 2697 H6 MBN A 309 -7.825 4.134 -31.753 1.00 0.06 H HETATM 2698 H5 MBN A 309 -6.099 5.995 -31.659 1.00 0.06 H HETATM 2699 H4 MBN A 309 -4.963 6.460 -29.520 1.00 0.06 H HETATM 2700 H1 MBN A 309 -4.601 6.093 -27.291 1.00 0.04 H HETATM 2701 H2 MBN A 309 -4.773 4.376 -26.793 1.00 0.04 H HETATM 2702 H3 MBN A 309 -6.067 5.559 -26.400 1.00 0.04 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 251 244 252 259 CONECT 252 251 253 255 CONECT 253 252 254 260 CONECT 254 253 CONECT 255 252 256 CONECT 256 255 257 CONECT 257 256 258 CONECT 258 257 CONECT 259 251 CONECT 1114 1110 1115 1122 CONECT 1115 1114 1116 1118 CONECT 1116 1115 1117 1123 CONECT 1117 1116 CONECT 1118 1115 1119 CONECT 1119 1118 1120 CONECT 1120 1119 1121 CONECT 1121 1120 CONECT 1122 1114 CONECT 1184 1185 1192 1193 1194 CONECT 1192 1184 CONECT 1193 1184 CONECT 1194 1184 CONECT 1428 1421 1429 1436 CONECT 1429 1428 1430 1432 CONECT 1430 1429 1431 1437 CONECT 1431 1430 CONECT 1432 1429 1433 CONECT 1433 1432 1434 CONECT 1434 1433 1435 CONECT 1435 1434 CONECT 1436 1428 CONECT 2291 2287 2292 2299 CONECT 2292 2291 2293 2295 CONECT 2293 2292 2294 2300 CONECT 2294 2293 CONECT 2295 2292 2296 CONECT 2296 2295 2297 CONECT 2297 2296 2298 CONECT 2298 2297 CONECT 2299 2291 CONECT 2688 2689 2700 2701 2702 CONECT 2689 2688 2690 2694 CONECT 2690 2689 2691 2699 CONECT 2691 2690 2692 2698 CONECT 2692 2691 2693 2697 CONECT 2693 2692 2694 2696 CONECT 2694 2689 2693 2695 CONECT 2695 2694 CONECT 2696 2693 CONECT 2697 2692 CONECT 2698 2691 CONECT 2699 2690 CONECT 2700 2688 CONECT 2701 2688 CONECT 2702 2688 MASTER 0 0 0 0 0 0 0 0 2700 2 59 20 END
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Structure:
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Protein
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Related entries of code: 5hwv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4i7k
RCSB PDB
PDBbind
MBN
4w53
RCSB PDB
PDBbind
MBN
Entry Information
PDB ID
5hwv
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Sensor histidine kinase TodS Per-Arnt-Sim (PAS) 1 sensor domain
Ligand Name
MBN
EC.Number
E.C.2.7.13.3
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Kd=8.5uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Biol.Chem. Vol.291. : pp. 8575-8590
Ligand Properties
Formula
C
7
H
8
Molecular Weight
92.138
Exact Mass
92.063
No. of atoms
15
No. of bonds
15
Polar Surface Area
0
LOGP Value
2.29 (
Computed with XLOGP3
)
2.00 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 0
No. of Rings: 1
Canonical SMILES
Cc1ccccc1
InChI String
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
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):
A5W4E3
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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