Browse entries in the PDBbind-CN Database
HEADER 6FEW_COMPLEX COMPND 6FEW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 35 VAL ASP PHE PRO ARG SER ARG LEU ARG PHE LYS GLU LYS SEQRES 2 A 35 LEU GLY GLU GLY GLN PHE GLY GLU VAL HIS LEU CYS GLU SEQRES 3 A 35 VAL ASP SER PRO GLN ASP LEU VAL SER SEQRES 1 A 80 VAL ARG LYS GLY HIS PRO LEU LEU VAL ALA VAL LYS ILE SEQRES 2 A 80 LEU ARG PRO ASP ALA THR LYS ASN ALA ARG ASN ASP PHE SEQRES 3 A 80 LEU LYS GLU VAL LYS ILE MET SER ARG LEU LYS ASP PRO SEQRES 4 A 80 ASN ILE ILE ARG LEU LEU GLY VAL CYS VAL GLN ASP ASP SEQRES 5 A 80 PRO LEU CYS MET ILE THR ASP TYR MET GLU ASN GLY ASP SEQRES 6 A 80 LEU ASN GLN PHE LEU SER ALA HIS GLN LEU GLU ASP LYS SEQRES 7 A 80 ALA ALA SEQRES 1 A 176 PRO THR ILE SER TYR PRO MET LEU LEU HIS VAL ALA ALA SEQRES 2 A 176 GLN ILE ALA SER GLY MET ARG TYR LEU ALA THR LEU ASN SEQRES 3 A 176 PHE VAL HIS ARG ASP LEU ALA THR ARG ASN CYS LEU VAL SEQRES 4 A 176 GLY GLU ASN PHE THR ILE LYS ILE ALA ASP PHE GLY MET SEQRES 5 A 176 SER ARG ASN LEU TYR ALA GLY ASP TYR TYR ARG VAL GLN SEQRES 6 A 176 GLY ARG ALA VAL LEU PRO ILE ARG TRP MET ALA TRP GLU SEQRES 7 A 176 CYS ILE LEU MET GLY LYS PHE THR THR ALA SER ASP VAL SEQRES 8 A 176 TRP ALA PHE GLY VAL THR LEU TRP GLU VAL LEU MET LEU SEQRES 9 A 176 CYS ARG ALA GLN PRO PHE GLY GLN LEU THR ASP GLU GLN SEQRES 10 A 176 VAL ILE GLU ASN ALA GLY GLU PHE PHE ARG ASP GLN GLY SEQRES 11 A 176 ARG GLN VAL TYR LEU SER ARG PRO PRO ALA CYS PRO GLN SEQRES 12 A 176 GLY LEU TYR GLU LEU MET LEU ARG CYS TRP SER ARG GLU SEQRES 13 A 176 SER GLU GLN ARG PRO PRO PHE SER GLN LEU HIS ARG PHE SEQRES 14 A 176 LEU ALA GLU ASP ALA LEU ASN HET D A 6W 59 ATOM 1 N VAL A 603 -2.819 -21.776 29.013 1.00 54.88 N ATOM 2 CA VAL A 603 -3.691 -21.376 30.112 1.00 51.64 C ATOM 3 C VAL A 603 -4.360 -20.033 29.827 1.00 49.93 C ATOM 4 O VAL A 603 -3.688 -19.036 29.545 1.00 55.21 O ATOM 5 CB VAL A 603 -2.921 -21.271 31.440 1.00 61.67 C ATOM 6 CG1 VAL A 603 -3.894 -21.161 32.605 1.00 60.21 C ATOM 7 CG2 VAL A 603 -2.006 -22.470 31.620 1.00 69.53 C ATOM 8 HN3 VAL A 603 -2.079 -21.058 28.881 1.00 0.00 H ATOM 9 HN2 VAL A 603 -3.380 -21.863 28.141 1.00 0.00 H ATOM 10 HN1 VAL A 603 -2.379 -22.692 29.236 1.00 0.00 H ATOM 11 N ASP A 604 -5.686 -20.014 29.909 1.00 37.31 N ATOM 12 CA ASP A 604 -6.468 -18.814 29.624 1.00 39.81 C ATOM 13 C ASP A 604 -6.211 -17.716 30.650 1.00 40.14 C ATOM 14 O ASP A 604 -6.090 -17.986 31.844 1.00 35.82 O ATOM 15 CB ASP A 604 -7.957 -19.151 29.635 1.00 43.72 C ATOM 16 CG ASP A 604 -8.540 -19.288 28.249 1.00 42.79 C ATOM 17 OD1 ASP A 604 -7.769 -19.475 27.280 1.00 42.81 O ATOM 18 OD2 ASP A 604 -9.781 -19.207 28.131 1.00 44.76 O ATOM 19 H ASP A 604 -6.184 -20.884 30.186 1.00 0.00 H ATOM 20 N PHE A 605 -6.125 -16.482 30.167 1.00 38.93 N ATOM 21 CA PHE A 605 -6.113 -15.310 31.023 1.00 32.06 C ATOM 22 C PHE A 605 -7.461 -15.247 31.721 1.00 32.98 C ATOM 23 O PHE A 605 -8.485 -15.605 31.122 1.00 30.66 O ATOM 24 CB PHE A 605 -5.912 -14.067 30.155 1.00 34.10 C ATOM 25 CG PHE A 605 -5.770 -12.794 30.934 1.00 32.87 C ATOM 26 CD1 PHE A 605 -6.889 -12.088 31.354 1.00 27.80 C ATOM 27 CD2 PHE A 605 -4.514 -12.289 31.233 1.00 38.30 C ATOM 28 CE1 PHE A 605 -6.751 -10.909 32.073 1.00 28.68 C ATOM 29 CE2 PHE A 605 -4.375 -11.111 31.948 1.00 40.33 C ATOM 30 CZ PHE A 605 -5.493 -10.425 32.366 1.00 34.38 C ATOM 31 H PHE A 605 -6.064 -16.351 29.137 1.00 0.00 H ATOM 32 N PRO A 606 -7.479 -14.813 32.997 1.00 31.01 N ATOM 33 CA PRO A 606 -8.774 -14.730 33.670 1.00 33.12 C ATOM 34 C PRO A 606 -9.601 -13.570 33.119 1.00 34.69 C ATOM 35 O PRO A 606 -9.334 -12.392 33.391 1.00 31.16 O ATOM 36 CB PRO A 606 -8.400 -14.515 35.142 1.00 32.80 C ATOM 37 CG PRO A 606 -7.059 -13.867 35.108 1.00 32.93 C ATOM 38 CD PRO A 606 -6.368 -14.354 33.853 1.00 33.34 C ATOM 39 N ARG A 607 -10.598 -13.929 32.319 1.00 38.33 N ATOM 40 CA ARG A 607 -11.447 -12.974 31.620 1.00 37.97 C ATOM 41 C ARG A 607 -12.144 -11.992 32.566 1.00 41.06 C ATOM 42 O ARG A 607 -12.352 -10.822 32.223 1.00 36.91 O ATOM 43 CB ARG A 607 -12.479 -13.746 30.801 1.00 36.82 C ATOM 44 CG ARG A 607 -13.509 -12.899 30.104 1.00 41.76 C ATOM 45 CD ARG A 607 -14.728 -13.737 29.764 1.00 47.85 C ATOM 46 NE ARG A 607 -14.389 -14.931 28.991 1.00 46.42 N ATOM 47 CZ ARG A 607 -14.136 -14.922 27.688 1.00 39.76 C ATOM 48 NH1 ARG A 607 -14.167 -13.776 27.022 1.00 50.43 N ATOM 49 NH2 ARG A 607 -13.844 -16.052 27.050 1.00 35.11 N ATOM 50 HE ARG A 607 -14.343 -15.841 29.492 1.00 0.00 H ATOM 51 HH12 ARG A 607 -13.970 -13.762 26.001 1.00 0.00 H ATOM 52 HH11 ARG A 607 -14.389 -12.891 27.521 1.00 0.00 H ATOM 53 HH22 ARG A 607 -13.647 -16.037 26.029 1.00 0.00 H ATOM 54 HH21 ARG A 607 -13.813 -16.951 27.572 1.00 0.00 H ATOM 55 H ARG A 607 -10.782 -14.944 32.185 1.00 0.00 H ATOM 56 N SER A 608 -12.488 -12.472 33.760 1.00 36.37 N ATOM 57 CA SER A 608 -13.201 -11.666 34.754 1.00 35.19 C ATOM 58 C SER A 608 -12.371 -10.508 35.303 1.00 40.93 C ATOM 59 O SER A 608 -12.907 -9.606 35.954 1.00 41.84 O ATOM 60 CB SER A 608 -13.661 -12.549 35.917 1.00 41.09 C ATOM 61 OG SER A 608 -12.546 -13.087 36.604 1.00 40.64 O ATOM 62 HG SER A 608 -12.007 -13.633 35.979 1.00 0.00 H ATOM 63 H SER A 608 -12.241 -13.455 33.995 1.00 0.00 H ATOM 64 N ARG A 609 -11.065 -10.545 35.058 1.00 35.74 N ATOM 65 CA ARG A 609 -10.168 -9.486 35.511 1.00 30.19 C ATOM 66 C ARG A 609 -10.092 -8.330 34.527 1.00 35.77 C ATOM 67 O ARG A 609 -9.484 -7.302 34.814 1.00 35.39 O ATOM 68 CB ARG A 609 -8.771 -10.042 35.782 1.00 31.02 C ATOM 69 CG ARG A 609 -8.684 -10.902 37.038 1.00 33.03 C ATOM 70 CD ARG A 609 -8.734 -10.050 38.296 1.00 34.28 C ATOM 71 NE ARG A 609 -8.430 -10.833 39.491 1.00 50.00 N ATOM 72 CZ ARG A 609 -7.199 -11.051 39.943 1.00 61.24 C ATOM 73 NH1 ARG A 609 -6.155 -10.548 39.295 1.00 64.51 N ATOM 74 NH2 ARG A 609 -7.008 -11.772 41.040 1.00 62.74 N ATOM 75 HE ARG A 609 -9.225 -11.245 40.020 1.00 0.00 H ATOM 76 HH12 ARG A 609 -5.192 -10.719 39.649 1.00 0.00 H ATOM 77 HH11 ARG A 609 -6.300 -9.983 38.434 1.00 0.00 H ATOM 78 HH22 ARG A 609 -6.043 -11.940 41.390 1.00 0.00 H ATOM 79 HH21 ARG A 609 -7.823 -12.169 41.550 1.00 0.00 H ATOM 80 H ARG A 609 -10.672 -11.350 34.530 1.00 0.00 H ATOM 81 N LEU A 610 -10.716 -8.505 33.366 1.00 28.08 N ATOM 82 CA LEU A 610 -10.707 -7.480 32.327 1.00 32.68 C ATOM 83 C LEU A 610 -11.851 -6.479 32.530 1.00 37.36 C ATOM 84 O LEU A 610 -13.025 -6.836 32.431 1.00 46.48 O ATOM 85 CB LEU A 610 -10.797 -8.133 30.941 1.00 29.56 C ATOM 86 CG LEU A 610 -9.622 -9.022 30.526 1.00 33.30 C ATOM 87 CD1 LEU A 610 -9.908 -9.708 29.203 1.00 33.79 C ATOM 88 CD2 LEU A 610 -8.340 -8.213 30.433 1.00 31.96 C ATOM 89 H LEU A 610 -11.224 -9.396 33.194 1.00 0.00 H ATOM 90 N ARG A 611 -11.505 -5.230 32.827 1.00 33.81 N ATOM 91 CA ARG A 611 -12.507 -4.188 33.026 1.00 31.19 C ATOM 92 C ARG A 611 -12.535 -3.174 31.881 1.00 33.18 C ATOM 93 O ARG A 611 -11.590 -2.406 31.694 1.00 30.61 O ATOM 94 CB ARG A 611 -12.263 -3.458 34.351 1.00 31.65 C ATOM 95 CG ARG A 611 -13.369 -2.487 34.728 1.00 30.80 C ATOM 96 CD ARG A 611 -13.197 -1.969 36.139 1.00 38.59 C ATOM 97 NE ARG A 611 -13.040 -3.060 37.098 1.00 36.61 N ATOM 98 CZ ARG A 611 -14.037 -3.618 37.779 1.00 43.84 C ATOM 99 NH1 ARG A 611 -15.283 -3.194 37.610 1.00 53.65 N ATOM 100 NH2 ARG A 611 -13.789 -4.605 38.630 1.00 38.16 N ATOM 101 HE ARG A 611 -12.080 -3.426 37.260 1.00 0.00 H ATOM 102 HH12 ARG A 611 -16.059 -3.634 38.145 1.00 0.00 H ATOM 103 HH11 ARG A 611 -15.484 -2.422 36.943 1.00 0.00 H ATOM 104 HH22 ARG A 611 -14.569 -5.041 39.162 1.00 0.00 H ATOM 105 HH21 ARG A 611 -12.815 -4.943 38.765 1.00 0.00 H ATOM 106 H ARG A 611 -10.497 -4.990 32.920 1.00 0.00 H ATOM 107 N PHE A 612 -13.637 -3.162 31.139 1.00 37.09 N ATOM 108 CA PHE A 612 -13.808 -2.243 30.015 1.00 40.50 C ATOM 109 C PHE A 612 -13.634 -0.778 30.417 1.00 36.79 C ATOM 110 O PHE A 612 -14.096 -0.349 31.479 1.00 40.91 O ATOM 111 CB PHE A 612 -15.177 -2.453 29.364 1.00 44.87 C ATOM 112 CG PHE A 612 -15.509 -1.444 28.292 1.00 52.86 C ATOM 113 CD1 PHE A 612 -14.991 -1.574 27.015 1.00 43.17 C ATOM 114 CD2 PHE A 612 -16.353 -0.376 28.559 1.00 46.55 C ATOM 115 CE1 PHE A 612 -15.295 -0.655 26.027 1.00 41.24 C ATOM 116 CE2 PHE A 612 -16.661 0.545 27.569 1.00 45.55 C ATOM 117 CZ PHE A 612 -16.131 0.401 26.300 1.00 43.31 C ATOM 118 H PHE A 612 -14.403 -3.828 31.365 1.00 0.00 H ATOM 119 N LYS A 613 -12.969 -0.018 29.552 1.00 30.27 N ATOM 120 CA LYS A 613 -12.714 1.393 29.781 1.00 29.22 C ATOM 121 C LYS A 613 -13.189 2.240 28.593 1.00 39.26 C ATOM 122 O LYS A 613 -13.879 3.244 28.785 1.00 51.28 O ATOM 123 CB LYS A 613 -11.237 1.628 30.086 1.00 41.52 C ATOM 124 CG LYS A 613 -10.935 3.004 30.637 1.00 58.66 C ATOM 125 CD LYS A 613 -9.467 3.138 30.988 1.00 66.51 C ATOM 126 CE LYS A 613 -9.092 4.594 31.185 1.00 68.01 C ATOM 127 NZ LYS A 613 -9.351 5.383 29.950 1.00 64.94 N ATOM 128 HZ1 LYS A 613 -8.786 4.995 29.168 1.00 0.00 H ATOM 129 HZ2 LYS A 613 -10.361 5.328 29.710 1.00 0.00 H ATOM 130 HZ3 LYS A 613 -9.086 6.375 30.112 1.00 0.00 H ATOM 131 H LYS A 613 -12.617 -0.452 28.675 1.00 0.00 H ATOM 132 N GLU A 614 -12.836 1.823 27.373 1.00 39.25 N ATOM 133 CA GLU A 614 -13.355 2.460 26.157 1.00 45.34 C ATOM 134 C GLU A 614 -13.068 1.635 24.904 1.00 42.52 C ATOM 135 O GLU A 614 -12.247 0.717 24.927 1.00 37.25 O ATOM 136 CB GLU A 614 -12.817 3.885 25.986 1.00 51.75 C ATOM 137 CG GLU A 614 -11.305 3.992 25.912 1.00 58.50 C ATOM 138 CD GLU A 614 -10.837 5.422 25.707 1.00 61.37 C ATOM 139 OE1 GLU A 614 -10.909 5.909 24.559 1.00 63.17 O ATOM 140 OE2 GLU A 614 -10.402 6.061 26.692 1.00 62.82 O ATOM 141 H GLU A 614 -12.175 1.025 27.283 1.00 0.00 H ATOM 142 N LYS A 615 -13.749 1.982 23.815 1.00 39.33 N ATOM 143 CA LYS A 615 -13.657 1.247 22.559 1.00 38.93 C ATOM 144 C LYS A 615 -12.589 1.871 21.669 1.00 32.11 C ATOM 145 O LYS A 615 -12.674 3.050 21.327 1.00 41.25 O ATOM 146 CB LYS A 615 -15.016 1.270 21.857 1.00 46.28 C ATOM 147 CG LYS A 615 -15.197 0.261 20.739 1.00 56.37 C ATOM 148 CD LYS A 615 -16.632 0.293 20.232 1.00 62.17 C ATOM 149 CE LYS A 615 -17.628 0.128 21.379 1.00 66.26 C ATOM 150 NZ LYS A 615 -19.050 0.206 20.933 1.00 65.79 N ATOM 151 HZ1 LYS A 615 -19.224 1.133 20.494 1.00 0.00 H ATOM 152 HZ2 LYS A 615 -19.237 -0.548 20.241 1.00 0.00 H ATOM 153 HZ3 LYS A 615 -19.677 0.087 21.754 1.00 0.00 H ATOM 154 H LYS A 615 -14.373 2.812 23.862 1.00 0.00 H ATOM 155 N LEU A 616 -11.590 1.073 21.293 1.00 34.08 N ATOM 156 CA LEU A 616 -10.456 1.556 20.508 1.00 31.61 C ATOM 157 C LEU A 616 -10.644 1.361 19.018 1.00 38.87 C ATOM 158 O LEU A 616 -9.992 2.024 18.212 1.00 43.81 O ATOM 159 CB LEU A 616 -9.169 0.843 20.925 1.00 31.93 C ATOM 160 CG LEU A 616 -8.698 1.167 22.339 1.00 28.86 C ATOM 161 CD1 LEU A 616 -7.492 0.328 22.703 1.00 25.40 C ATOM 162 CD2 LEU A 616 -8.385 2.642 22.455 1.00 41.10 C ATOM 163 H LEU A 616 -11.619 0.070 21.568 1.00 0.00 H ATOM 164 N GLY A 617 -11.517 0.436 18.645 1.00 43.04 N ATOM 165 CA GLY A 617 -11.651 0.092 17.247 1.00 38.52 C ATOM 166 C GLY A 617 -12.857 -0.759 16.931 1.00 51.34 C ATOM 167 O GLY A 617 -13.260 -1.619 17.715 1.00 43.82 O ATOM 168 H GLY A 617 -12.105 -0.042 19.357 1.00 0.00 H ATOM 169 N GLU A 618 -13.434 -0.501 15.765 1.00 62.17 N ATOM 170 CA GLU A 618 -14.573 -1.258 15.281 1.00 69.74 C ATOM 171 C GLU A 618 -14.131 -2.093 14.096 1.00 70.94 C ATOM 172 O GLU A 618 -13.903 -1.570 13.005 1.00 82.38 O ATOM 173 CB GLU A 618 -15.710 -0.319 14.863 1.00 71.19 C ATOM 174 CG GLU A 618 -16.437 0.356 16.020 1.00 66.42 C ATOM 175 CD GLU A 618 -17.521 -0.518 16.626 1.00 59.27 C ATOM 176 OE1 GLU A 618 -17.668 -1.679 16.194 1.00 56.09 O ATOM 177 OE2 GLU A 618 -18.235 -0.037 17.531 1.00 66.44 O ATOM 178 H GLU A 618 -13.057 0.270 15.178 1.00 0.00 H ATOM 179 N GLY A 619 -13.985 -3.392 14.318 1.00 55.62 N ATOM 180 CA GLY A 619 -13.694 -4.306 13.232 1.00 46.74 C ATOM 181 C GLY A 619 -14.998 -4.744 12.596 1.00 54.12 C ATOM 182 O GLY A 619 -16.072 -4.272 12.978 1.00 54.50 O ATOM 183 H GLY A 619 -14.081 -3.760 15.286 1.00 0.00 H ATOM 184 N GLN A 620 -14.911 -5.652 11.632 1.00 54.29 N ATOM 185 CA GLN A 620 -16.101 -6.159 10.960 1.00 58.30 C ATOM 186 C GLN A 620 -16.853 -7.140 11.866 1.00 61.26 C ATOM 187 O GLN A 620 -18.079 -7.065 12.006 1.00 51.44 O ATOM 188 CB GLN A 620 -15.715 -6.833 9.638 1.00 55.61 C ATOM 189 CG GLN A 620 -16.802 -6.807 8.573 1.00 57.09 C ATOM 190 CD GLN A 620 -16.363 -7.454 7.268 1.00 58.16 C ATOM 191 OE1 GLN A 620 -15.171 -7.652 7.028 1.00 58.89 O ATOM 192 NE2 GLN A 620 -17.329 -7.790 6.421 1.00 53.29 N ATOM 193 HE22 GLN A 620 -18.323 -7.604 6.665 1.00 0.00 H ATOM 194 HE21 GLN A 620 -17.092 -8.239 5.513 1.00 0.00 H ATOM 195 H GLN A 620 -13.976 -6.009 11.351 1.00 0.00 H ATOM 196 N PHE A 621 -16.111 -8.051 12.491 1.00 66.19 N ATOM 197 CA PHE A 621 -16.716 -9.103 13.303 1.00 69.76 C ATOM 198 C PHE A 621 -16.261 -9.020 14.750 1.00 70.44 C ATOM 199 O PHE A 621 -16.810 -9.692 15.626 1.00 66.88 O ATOM 200 CB PHE A 621 -16.363 -10.479 12.739 1.00 65.57 C ATOM 201 CG PHE A 621 -16.616 -10.612 11.269 1.00 60.59 C ATOM 202 CD1 PHE A 621 -17.862 -10.993 10.798 1.00 60.44 C ATOM 203 CD2 PHE A 621 -15.607 -10.353 10.355 1.00 59.44 C ATOM 204 CE1 PHE A 621 -18.098 -11.116 9.441 1.00 61.76 C ATOM 205 CE2 PHE A 621 -15.836 -10.473 8.999 1.00 61.96 C ATOM 206 CZ PHE A 621 -17.084 -10.856 8.541 1.00 62.12 C ATOM 207 H PHE A 621 -15.076 -8.013 12.399 1.00 0.00 H ATOM 208 N GLY A 622 -15.245 -8.201 14.992 1.00 70.20 N ATOM 209 CA GLY A 622 -14.715 -8.036 16.327 1.00 66.37 C ATOM 210 C GLY A 622 -14.650 -6.583 16.738 1.00 57.23 C ATOM 211 O GLY A 622 -14.959 -5.682 15.956 1.00 55.47 O ATOM 212 H GLY A 622 -14.822 -7.667 14.206 1.00 0.00 H ATOM 213 N GLU A 623 -14.263 -6.360 17.986 1.00 35.92 N ATOM 214 CA GLU A 623 -13.996 -5.022 18.475 1.00 36.29 C ATOM 215 C GLU A 623 -12.697 -5.078 19.253 1.00 28.65 C ATOM 216 O GLU A 623 -12.320 -6.132 19.781 1.00 28.44 O ATOM 217 CB GLU A 623 -15.119 -4.541 19.400 1.00 38.11 C ATOM 218 CG GLU A 623 -16.409 -4.148 18.698 1.00 54.91 C ATOM 219 CD GLU A 623 -17.508 -3.772 19.678 1.00 63.18 C ATOM 220 OE1 GLU A 623 -17.935 -4.650 20.455 1.00 68.38 O ATOM 221 OE2 GLU A 623 -17.939 -2.600 19.678 1.00 61.92 O ATOM 222 H GLU A 623 -14.148 -7.167 18.632 1.00 0.00 H ATOM 223 N VAL A 624 -12.015 -3.943 19.325 1.00 28.67 N ATOM 224 CA VAL A 624 -10.861 -3.810 20.195 1.00 32.17 C ATOM 225 C VAL A 624 -11.192 -2.814 21.299 1.00 33.24 C ATOM 226 O VAL A 624 -11.611 -1.681 21.043 1.00 28.59 O ATOM 227 CB VAL A 624 -9.581 -3.408 19.418 1.00 24.91 C ATOM 228 CG1 VAL A 624 -8.380 -3.288 20.368 1.00 23.88 C ATOM 229 CG2 VAL A 624 -9.293 -4.425 18.327 1.00 27.66 C ATOM 230 H VAL A 624 -12.313 -3.132 18.746 1.00 0.00 H ATOM 231 N HIS A 625 -11.050 -3.268 22.537 1.00 25.46 N ATOM 232 CA HIS A 625 -11.387 -2.454 23.684 1.00 30.36 C ATOM 233 C HIS A 625 -10.151 -2.113 24.495 1.00 29.30 C ATOM 234 O HIS A 625 -9.182 -2.876 24.532 1.00 26.73 O ATOM 235 CB HIS A 625 -12.412 -3.177 24.573 1.00 30.28 C ATOM 236 CG HIS A 625 -13.745 -3.377 23.921 1.00 35.09 C ATOM 237 ND1 HIS A 625 -14.833 -3.890 24.592 1.00 45.39 N ATOM 238 CD2 HIS A 625 -14.164 -3.139 22.655 1.00 49.42 C ATOM 239 CE1 HIS A 625 -15.866 -3.954 23.770 1.00 52.02 C ATOM 240 NE2 HIS A 625 -15.486 -3.506 22.588 1.00 51.16 N ATOM 241 H HIS A 625 -10.688 -4.231 22.686 1.00 0.00 H ATOM 242 N LEU A 626 -10.182 -0.937 25.106 1.00 26.56 N ATOM 243 CA LEU A 626 -9.236 -0.567 26.154 1.00 30.03 C ATOM 244 C LEU A 626 -9.788 -1.057 27.482 1.00 30.82 C ATOM 245 O LEU A 626 -10.902 -0.711 27.844 1.00 28.74 O ATOM 246 CB LEU A 626 -9.059 0.956 26.210 1.00 25.50 C ATOM 247 CG LEU A 626 -8.116 1.505 27.285 1.00 32.23 C ATOM 248 CD1 LEU A 626 -6.722 0.884 27.189 1.00 27.13 C ATOM 249 CD2 LEU A 626 -8.039 3.030 27.219 1.00 34.47 C ATOM 250 H LEU A 626 -10.911 -0.249 24.827 1.00 0.00 H ATOM 251 N CYS A 627 -9.019 -1.876 28.190 1.00 25.12 N ATOM 252 CA CYS A 627 -9.455 -2.406 29.483 1.00 25.76 C ATOM 253 C CYS A 627 -8.420 -2.195 30.558 1.00 26.14 C ATOM 254 O CYS A 627 -7.226 -2.109 30.284 1.00 25.75 O ATOM 255 CB CYS A 627 -9.728 -3.909 29.386 1.00 36.37 C ATOM 256 SG CYS A 627 -10.989 -4.409 28.197 1.00 32.05 S ATOM 257 H CYS A 627 -8.086 -2.147 27.818 1.00 0.00 H ATOM 258 N GLU A 628 -8.890 -2.140 31.800 1.00 27.05 N ATOM 259 CA GLU A 628 -8.007 -2.257 32.937 1.00 27.57 C ATOM 260 C GLU A 628 -7.967 -3.715 33.360 1.00 27.57 C ATOM 261 O GLU A 628 -8.902 -4.480 33.097 1.00 36.50 O ATOM 262 CB GLU A 628 -8.542 -1.437 34.109 1.00 33.24 C ATOM 263 CG GLU A 628 -8.646 0.038 33.831 1.00 35.91 C ATOM 264 CD GLU A 628 -9.104 0.818 35.043 1.00 33.76 C ATOM 265 OE1 GLU A 628 -9.845 0.255 35.876 1.00 39.35 O ATOM 266 OE2 GLU A 628 -8.716 1.997 35.160 1.00 38.92 O ATOM 267 H GLU A 628 -9.910 -2.011 31.956 1.00 0.00 H ATOM 268 N VAL A 629 -6.882 -4.094 34.021 1.00 28.99 N ATOM 269 CA VAL A 629 -6.791 -5.405 34.632 1.00 29.06 C ATOM 270 C VAL A 629 -6.953 -5.212 36.138 1.00 29.51 C ATOM 271 O VAL A 629 -6.164 -4.516 36.768 1.00 30.90 O ATOM 272 CB VAL A 629 -5.446 -6.094 34.324 1.00 28.32 C ATOM 273 CG1 VAL A 629 -5.389 -7.456 34.981 1.00 28.31 C ATOM 274 CG2 VAL A 629 -5.242 -6.214 32.820 1.00 29.35 C ATOM 275 H VAL A 629 -6.080 -3.437 34.103 1.00 0.00 H ATOM 276 N ASP A 630 -8.003 -5.798 36.696 1.00 30.14 N ATOM 277 CA ASP A 630 -8.271 -5.687 38.128 1.00 31.54 C ATOM 278 C ASP A 630 -7.203 -6.414 38.932 1.00 32.21 C ATOM 279 O ASP A 630 -6.796 -7.523 38.579 1.00 32.03 O ATOM 280 CB ASP A 630 -9.638 -6.280 38.459 1.00 35.54 C ATOM 281 CG ASP A 630 -10.785 -5.431 37.956 1.00 38.41 C ATOM 282 OD1 ASP A 630 -10.578 -4.224 37.698 1.00 39.43 O ATOM 283 OD2 ASP A 630 -11.900 -5.980 37.833 1.00 36.48 O ATOM 284 H ASP A 630 -8.652 -6.350 36.100 1.00 0.00 H ATOM 285 N SER A 631 -6.758 -5.788 40.018 1.00 33.64 N ATOM 286 CA SER A 631 -5.763 -6.382 40.912 1.00 36.93 C ATOM 287 C SER A 631 -4.568 -6.949 40.140 1.00 43.45 C ATOM 288 O SER A 631 -4.307 -8.151 40.188 1.00 43.29 O ATOM 289 CB SER A 631 -6.408 -7.470 41.772 1.00 40.84 C ATOM 290 OG SER A 631 -5.524 -7.863 42.802 1.00 47.65 O ATOM 291 HG SER A 631 -4.690 -8.216 42.403 1.00 0.00 H ATOM 292 H SER A 631 -7.130 -4.843 40.240 1.00 0.00 H ATOM 293 N PRO A 632 -3.836 -6.071 39.436 1.00 53.32 N ATOM 294 CA PRO A 632 -2.888 -6.395 38.360 1.00 61.46 C ATOM 295 C PRO A 632 -1.812 -7.426 38.711 1.00 63.55 C ATOM 296 O PRO A 632 -1.619 -8.381 37.958 1.00 60.81 O ATOM 297 CB PRO A 632 -2.233 -5.040 38.052 1.00 62.30 C ATOM 298 CG PRO A 632 -3.195 -4.025 38.560 1.00 63.80 C ATOM 299 CD PRO A 632 -3.796 -4.639 39.779 1.00 61.46 C ATOM 300 N GLN A 633 -1.124 -7.240 39.833 1.00 66.71 N ATOM 301 CA GLN A 633 0.053 -8.052 40.136 1.00 69.88 C ATOM 302 C GLN A 633 -0.226 -9.513 40.512 1.00 70.49 C ATOM 303 O GLN A 633 0.702 -10.314 40.618 1.00 77.85 O ATOM 304 CB GLN A 633 0.929 -7.368 41.190 1.00 73.31 C ATOM 305 CG GLN A 633 0.168 -6.776 42.356 1.00 68.50 C ATOM 306 CD GLN A 633 1.065 -5.959 43.262 1.00 77.88 C ATOM 307 OE1 GLN A 633 1.715 -5.010 42.820 1.00 83.26 O ATOM 308 NE2 GLN A 633 1.115 -6.331 44.536 1.00 75.83 N ATOM 309 HE22 GLN A 633 0.548 -7.139 44.864 1.00 0.00 H ATOM 310 HE21 GLN A 633 1.721 -5.814 45.205 1.00 0.00 H ATOM 311 H GLN A 633 -1.427 -6.506 40.505 1.00 0.00 H ATOM 312 N ASP A 634 -1.496 -9.862 40.697 1.00 64.79 N ATOM 313 CA ASP A 634 -1.875 -11.246 40.971 1.00 65.84 C ATOM 314 C ASP A 634 -1.675 -12.134 39.748 1.00 66.02 C ATOM 315 O ASP A 634 -1.691 -13.360 39.850 1.00 69.40 O ATOM 316 CB ASP A 634 -3.341 -11.326 41.395 1.00 67.30 C ATOM 317 CG ASP A 634 -3.655 -10.432 42.567 1.00 69.07 C ATOM 318 OD1 ASP A 634 -2.923 -9.440 42.762 1.00 76.23 O ATOM 319 OD2 ASP A 634 -4.632 -10.717 43.291 1.00 71.48 O ATOM 320 H ASP A 634 -2.236 -9.133 40.645 1.00 0.00 H ATOM 321 N LEU A 635 -1.491 -11.511 38.590 1.00 69.90 N ATOM 322 CA LEU A 635 -1.491 -12.246 37.332 1.00 66.96 C ATOM 323 C LEU A 635 -0.127 -12.289 36.652 1.00 73.32 C ATOM 324 O LEU A 635 0.072 -13.055 35.709 1.00 77.50 O ATOM 325 CB LEU A 635 -2.527 -11.645 36.384 1.00 63.81 C ATOM 326 CG LEU A 635 -3.914 -11.445 36.999 1.00 61.75 C ATOM 327 CD1 LEU A 635 -4.858 -10.832 35.989 1.00 61.26 C ATOM 328 CD2 LEU A 635 -4.476 -12.756 37.532 1.00 58.65 C ATOM 329 H LEU A 635 -1.344 -10.481 38.581 1.00 0.00 H ATOM 330 N VAL A 636 0.808 -11.474 37.133 1.00 74.62 N ATOM 331 CA VAL A 636 2.124 -11.357 36.506 1.00 78.52 C ATOM 332 C VAL A 636 2.871 -12.692 36.452 1.00 86.71 C ATOM 333 O VAL A 636 3.559 -13.066 37.404 1.00 92.70 O ATOM 334 CB VAL A 636 3.000 -10.306 37.216 1.00 75.28 C ATOM 335 CG1 VAL A 636 4.273 -10.055 36.420 1.00 73.35 C ATOM 336 CG2 VAL A 636 2.229 -9.012 37.398 1.00 72.67 C ATOM 337 H VAL A 636 0.597 -10.905 37.978 1.00 0.00 H ATOM 338 N SER A 637 2.722 -13.393 35.327 1.00 84.75 N ATOM 339 CA SER A 637 3.348 -14.698 35.091 1.00 87.91 C ATOM 340 C SER A 637 3.226 -15.673 36.263 1.00 95.68 C ATOM 341 O SER A 637 3.482 -16.870 36.119 1.00 99.69 O ATOM 342 CB SER A 637 4.814 -14.536 34.676 1.00 86.13 C ATOM 343 OG SER A 637 4.914 -14.071 33.341 1.00 83.26 O ATOM 344 HG SER A 637 5.869 -13.975 33.097 1.00 0.00 H ATOM 345 H SER A 637 2.128 -12.991 34.574 1.00 0.00 H TER 346 SER A 637 ATOM 347 N VAL A 644 3.430 -3.657 34.958 1.00 59.63 N ATOM 348 CA VAL A 644 2.619 -2.911 35.913 1.00 66.77 C ATOM 349 C VAL A 644 3.477 -2.041 36.830 1.00 75.75 C ATOM 350 O VAL A 644 4.458 -2.509 37.410 1.00 78.57 O ATOM 351 CB VAL A 644 1.727 -3.852 36.764 1.00 66.61 C ATOM 352 CG1 VAL A 644 2.550 -4.990 37.364 1.00 71.82 C ATOM 353 CG2 VAL A 644 0.998 -3.074 37.854 1.00 60.37 C ATOM 354 HN3 VAL A 644 4.089 -4.276 35.473 1.00 0.00 H ATOM 355 HN2 VAL A 644 3.968 -2.991 34.367 1.00 0.00 H ATOM 356 HN1 VAL A 644 2.810 -4.234 34.355 1.00 0.00 H ATOM 357 N ARG A 645 3.109 -0.767 36.943 1.00 80.75 N ATOM 358 CA ARG A 645 3.773 0.143 37.870 1.00 84.59 C ATOM 359 C ARG A 645 2.874 0.448 39.068 1.00 86.57 C ATOM 360 O ARG A 645 1.678 0.699 38.910 1.00 82.31 O ATOM 361 CB ARG A 645 4.206 1.432 37.165 1.00 86.93 C ATOM 362 CG ARG A 645 3.131 2.078 36.309 1.00 85.42 C ATOM 363 CD ARG A 645 3.551 3.475 35.882 1.00 84.88 C ATOM 364 NE ARG A 645 2.493 4.173 35.158 1.00 82.71 N ATOM 365 CZ ARG A 645 2.442 5.492 34.999 1.00 76.28 C ATOM 366 NH1 ARG A 645 1.441 6.042 34.326 1.00 72.86 N ATOM 367 NH2 ARG A 645 3.387 6.262 35.522 1.00 72.29 N ATOM 368 HE ARG A 645 1.731 3.602 34.740 1.00 0.00 H ATOM 369 HH12 ARG A 645 1.402 7.074 34.202 1.00 0.00 H ATOM 370 HH11 ARG A 645 0.694 5.442 33.922 1.00 0.00 H ATOM 371 HH22 ARG A 645 3.346 7.294 35.397 1.00 0.00 H ATOM 372 HH21 ARG A 645 4.169 5.834 36.057 1.00 0.00 H ATOM 373 H ARG A 645 2.328 -0.411 36.355 1.00 0.00 H ATOM 374 N LYS A 646 3.468 0.424 40.259 1.00 92.29 N ATOM 375 CA LYS A 646 2.739 0.509 41.526 1.00 93.99 C ATOM 376 C LYS A 646 1.784 1.701 41.628 1.00 95.64 C ATOM 377 O LYS A 646 2.179 2.848 41.414 1.00 96.20 O ATOM 378 CB LYS A 646 3.727 0.531 42.697 1.00 95.74 C ATOM 379 CG LYS A 646 3.083 0.422 44.071 1.00 98.99 C ATOM 380 CD LYS A 646 4.126 0.521 45.179 1.00103.21 C ATOM 381 CE LYS A 646 3.502 0.360 46.559 1.00106.84 C ATOM 382 NZ LYS A 646 2.967 -1.013 46.785 1.00108.04 N ATOM 383 HZ1 LYS A 646 2.235 -1.220 46.075 1.00 0.00 H ATOM 384 HZ2 LYS A 646 3.740 -1.703 46.699 1.00 0.00 H ATOM 385 HZ3 LYS A 646 2.554 -1.070 47.738 1.00 0.00 H ATOM 386 H LYS A 646 4.504 0.341 40.291 1.00 0.00 H ATOM 387 N GLY A 647 0.526 1.412 41.954 1.00 93.17 N ATOM 388 CA GLY A 647 -0.478 2.441 42.171 1.00 84.13 C ATOM 389 C GLY A 647 -0.961 3.137 40.911 1.00 72.07 C ATOM 390 O GLY A 647 -1.409 4.284 40.964 1.00 56.08 O ATOM 391 H GLY A 647 0.252 0.414 42.057 1.00 0.00 H ATOM 392 N HIS A 648 -0.873 2.442 39.778 1.00 72.17 N ATOM 393 CA HIS A 648 -1.294 2.996 38.492 1.00 66.75 C ATOM 394 C HIS A 648 -2.180 2.016 37.727 1.00 50.27 C ATOM 395 O HIS A 648 -2.021 0.801 37.860 1.00 52.40 O ATOM 396 CB HIS A 648 -0.076 3.382 37.648 1.00 69.07 C ATOM 397 CG HIS A 648 0.721 4.511 38.223 1.00 70.99 C ATOM 398 ND1 HIS A 648 1.743 4.318 39.126 1.00 74.49 N ATOM 399 CD2 HIS A 648 0.637 5.849 38.029 1.00 72.40 C ATOM 400 CE1 HIS A 648 2.260 5.488 39.460 1.00 76.59 C ATOM 401 NE2 HIS A 648 1.606 6.433 38.808 1.00 74.80 N ATOM 402 H HIS A 648 -0.493 1.475 39.809 1.00 0.00 H ATOM 403 N PRO A 649 -3.130 2.543 36.934 1.00 48.07 N ATOM 404 CA PRO A 649 -4.058 1.687 36.186 1.00 39.20 C ATOM 405 C PRO A 649 -3.356 0.902 35.087 1.00 39.05 C ATOM 406 O PRO A 649 -2.935 1.490 34.085 1.00 44.33 O ATOM 407 CB PRO A 649 -5.033 2.686 35.553 1.00 38.40 C ATOM 408 CG PRO A 649 -4.885 3.946 36.365 1.00 46.21 C ATOM 409 CD PRO A 649 -3.440 3.971 36.755 1.00 49.88 C ATOM 410 N LEU A 650 -3.232 -0.406 35.269 1.00 32.41 N ATOM 411 CA LEU A 650 -2.694 -1.248 34.209 1.00 37.88 C ATOM 412 C LEU A 650 -3.697 -1.385 33.066 1.00 31.56 C ATOM 413 O LEU A 650 -4.749 -2.013 33.214 1.00 36.43 O ATOM 414 CB LEU A 650 -2.305 -2.629 34.731 1.00 46.87 C ATOM 415 CG LEU A 650 -1.668 -3.502 33.646 1.00 56.80 C ATOM 416 CD1 LEU A 650 -0.294 -2.969 33.258 1.00 59.86 C ATOM 417 CD2 LEU A 650 -1.591 -4.960 34.067 1.00 59.19 C ATOM 418 H LEU A 650 -3.520 -0.832 36.173 1.00 0.00 H ATOM 419 N LEU A 651 -3.362 -0.804 31.924 1.00 33.03 N ATOM 420 CA LEU A 651 -4.241 -0.857 30.766 1.00 30.96 C ATOM 421 C LEU A 651 -3.737 -1.867 29.754 1.00 33.28 C ATOM 422 O LEU A 651 -2.536 -2.016 29.558 1.00 35.89 O ATOM 423 CB LEU A 651 -4.338 0.516 30.104 1.00 32.84 C ATOM 424 CG LEU A 651 -4.738 1.687 31.000 1.00 37.25 C ATOM 425 CD1 LEU A 651 -4.676 2.977 30.197 1.00 27.72 C ATOM 426 CD2 LEU A 651 -6.124 1.464 31.556 1.00 34.80 C ATOM 427 H LEU A 651 -2.454 -0.301 31.854 1.00 0.00 H ATOM 428 N VAL A 652 -4.674 -2.564 29.127 1.00 24.70 N ATOM 429 CA VAL A 652 -4.356 -3.440 28.007 1.00 25.59 C ATOM 430 C VAL A 652 -5.372 -3.201 26.909 1.00 28.14 C ATOM 431 O VAL A 652 -6.411 -2.568 27.132 1.00 29.16 O ATOM 432 CB VAL A 652 -4.374 -4.925 28.403 1.00 23.60 C ATOM 433 CG1 VAL A 652 -3.250 -5.232 29.379 1.00 26.25 C ATOM 434 CG2 VAL A 652 -5.719 -5.297 29.016 1.00 23.96 C ATOM 435 H VAL A 652 -5.662 -2.484 29.443 1.00 0.00 H ATOM 436 N ALA A 653 -5.045 -3.656 25.707 1.00 25.42 N ATOM 437 CA ALA A 653 -6.027 -3.696 24.639 1.00 22.16 C ATOM 438 C ALA A 653 -6.498 -5.130 24.438 1.00 21.68 C ATOM 439 O ALA A 653 -5.702 -6.081 24.479 1.00 22.66 O ATOM 440 CB ALA A 653 -5.443 -3.123 23.339 1.00 21.79 C ATOM 441 H ALA A 653 -4.076 -3.987 25.528 1.00 0.00 H ATOM 442 N VAL A 654 -7.797 -5.290 24.207 1.00 22.16 N ATOM 443 CA VAL A 654 -8.381 -6.617 24.056 1.00 22.92 C ATOM 444 C VAL A 654 -9.175 -6.673 22.764 1.00 24.07 C ATOM 445 O VAL A 654 -10.071 -5.863 22.543 1.00 27.43 O ATOM 446 CB VAL A 654 -9.292 -6.951 25.271 1.00 22.41 C ATOM 447 CG1 VAL A 654 -9.888 -8.352 25.154 1.00 23.64 C ATOM 448 CG2 VAL A 654 -8.504 -6.783 26.571 1.00 24.73 C ATOM 449 H VAL A 654 -8.409 -4.452 24.133 1.00 0.00 H ATOM 450 N LYS A 655 -8.816 -7.608 21.893 1.00 20.66 N ATOM 451 CA LYS A 655 -9.611 -7.860 20.706 1.00 23.57 C ATOM 452 C LYS A 655 -10.614 -8.969 21.012 1.00 22.51 C ATOM 453 O LYS A 655 -10.234 -10.089 21.399 1.00 23.79 O ATOM 454 CB LYS A 655 -8.712 -8.208 19.516 1.00 21.73 C ATOM 455 CG LYS A 655 -9.473 -8.453 18.236 1.00 22.76 C ATOM 456 CD LYS A 655 -8.537 -8.539 17.036 1.00 27.99 C ATOM 457 CE LYS A 655 -9.310 -8.946 15.781 1.00 34.81 C ATOM 458 NZ LYS A 655 -8.470 -8.945 14.555 1.00 32.25 N ATOM 459 HZ1 LYS A 655 -8.091 -7.990 14.397 1.00 0.00 H ATOM 460 HZ2 LYS A 655 -7.684 -9.616 14.674 1.00 0.00 H ATOM 461 HZ3 LYS A 655 -9.049 -9.229 13.739 1.00 0.00 H ATOM 462 H LYS A 655 -7.955 -8.166 22.063 1.00 0.00 H ATOM 463 N ILE A 656 -11.895 -8.650 20.840 1.00 23.67 N ATOM 464 CA ILE A 656 -12.978 -9.559 21.199 1.00 27.98 C ATOM 465 C ILE A 656 -13.900 -9.880 20.028 1.00 31.74 C ATOM 466 O ILE A 656 -14.430 -8.987 19.361 1.00 29.12 O ATOM 467 CB ILE A 656 -13.873 -8.971 22.304 1.00 33.42 C ATOM 468 CG1 ILE A 656 -13.035 -8.246 23.359 1.00 50.62 C ATOM 469 CG2 ILE A 656 -14.726 -10.071 22.909 1.00 33.70 C ATOM 470 CD1 ILE A 656 -13.843 -7.342 24.275 1.00 52.88 C ATOM 471 H ILE A 656 -12.132 -7.721 20.436 1.00 0.00 H ATOM 472 N LEU A 657 -14.109 -11.168 19.808 1.00 30.48 N ATOM 473 CA LEU A 657 -15.033 -11.643 18.799 1.00 34.23 C ATOM 474 C LEU A 657 -16.442 -11.686 19.387 1.00 32.48 C ATOM 475 O LEU A 657 -16.665 -12.249 20.464 1.00 34.99 O ATOM 476 CB LEU A 657 -14.581 -13.026 18.328 1.00 33.61 C ATOM 477 CG LEU A 657 -15.288 -13.734 17.183 1.00 34.75 C ATOM 478 CD1 LEU A 657 -14.929 -13.117 15.840 1.00 33.88 C ATOM 479 CD2 LEU A 657 -14.922 -15.206 17.237 1.00 28.53 C ATOM 480 H LEU A 657 -13.591 -11.865 20.381 1.00 0.00 H ATOM 481 N ARG A 658 -17.388 -11.057 18.699 1.00 31.99 N ATOM 482 CA ARG A 658 -18.776 -11.032 19.145 1.00 48.11 C ATOM 483 C ARG A 658 -19.343 -12.438 19.337 1.00 55.89 C ATOM 484 O ARG A 658 -19.086 -13.329 18.532 1.00 51.33 O ATOM 485 CB ARG A 658 -19.641 -10.242 18.160 1.00 51.40 C ATOM 486 CG ARG A 658 -19.357 -8.751 18.156 1.00 55.97 C ATOM 487 CD ARG A 658 -20.287 -8.002 17.214 1.00 66.58 C ATOM 488 NE ARG A 658 -19.967 -8.248 15.810 1.00 72.82 N ATOM 489 CZ ARG A 658 -20.611 -9.111 15.029 1.00 74.87 C ATOM 490 NH1 ARG A 658 -21.625 -9.821 15.510 1.00 77.66 N ATOM 491 NH2 ARG A 658 -20.244 -9.262 13.763 1.00 70.71 N ATOM 492 HE ARG A 658 -19.181 -7.711 15.392 1.00 0.00 H ATOM 493 HH12 ARG A 658 -22.126 -10.495 14.896 1.00 0.00 H ATOM 494 HH11 ARG A 658 -21.918 -9.703 16.501 1.00 0.00 H ATOM 495 HH22 ARG A 658 -20.748 -9.937 13.153 1.00 0.00 H ATOM 496 HH21 ARG A 658 -19.453 -8.706 13.381 1.00 0.00 H ATOM 497 H ARG A 658 -17.132 -10.569 17.817 1.00 0.00 H ATOM 498 N PRO A 659 -20.112 -12.639 20.417 1.00 73.38 N ATOM 499 CA PRO A 659 -20.703 -13.942 20.753 1.00 74.39 C ATOM 500 C PRO A 659 -21.611 -14.482 19.649 1.00 69.07 C ATOM 501 O PRO A 659 -21.851 -15.689 19.589 1.00 75.03 O ATOM 502 CB PRO A 659 -21.525 -13.639 22.009 1.00 80.18 C ATOM 503 CG PRO A 659 -20.866 -12.445 22.608 1.00 82.03 C ATOM 504 CD PRO A 659 -20.406 -11.623 21.442 1.00 79.67 C ATOM 505 N ASP A 660 -22.110 -13.597 18.792 1.00 55.38 N ATOM 506 CA ASP A 660 -22.925 -14.011 17.657 1.00 56.52 C ATOM 507 C ASP A 660 -22.143 -13.956 16.342 1.00 49.03 C ATOM 508 O ASP A 660 -22.721 -13.758 15.273 1.00 48.35 O ATOM 509 CB ASP A 660 -24.185 -13.151 17.562 1.00 65.02 C ATOM 510 CG ASP A 660 -23.902 -11.677 17.776 1.00 69.41 C ATOM 511 OD1 ASP A 660 -22.747 -11.255 17.559 1.00 68.29 O ATOM 512 OD2 ASP A 660 -24.836 -10.942 18.165 1.00 73.36 O ATOM 513 H ASP A 660 -21.914 -12.586 18.935 1.00 0.00 H ATOM 514 N ALA A 661 -20.828 -14.129 16.423 1.00 43.14 N ATOM 515 CA ALA A 661 -19.999 -14.112 15.222 1.00 40.75 C ATOM 516 C ALA A 661 -20.160 -15.394 14.416 1.00 39.77 C ATOM 517 O ALA A 661 -20.411 -16.465 14.968 1.00 45.62 O ATOM 518 CB ALA A 661 -18.539 -13.886 15.568 1.00 36.12 C ATOM 519 H ALA A 661 -20.385 -14.278 17.352 1.00 0.00 H ATOM 520 N THR A 662 -19.995 -15.270 13.104 1.00 33.82 N ATOM 521 CA THR A 662 -20.207 -16.382 12.190 1.00 29.82 C ATOM 522 C THR A 662 -19.116 -17.432 12.317 1.00 34.39 C ATOM 523 O THR A 662 -18.099 -17.215 12.989 1.00 26.17 O ATOM 524 CB THR A 662 -20.265 -15.898 10.728 1.00 37.32 C ATOM 525 OG1 THR A 662 -18.993 -15.357 10.339 1.00 36.74 O ATOM 526 CG2 THR A 662 -21.346 -14.838 10.564 1.00 33.44 C ATOM 527 HG1 THR A 662 -19.040 -15.049 9.399 1.00 0.00 H ATOM 528 H THR A 662 -19.705 -14.349 12.718 1.00 0.00 H ATOM 529 N LYS A 663 -19.345 -18.573 11.671 1.00 37.87 N ATOM 530 CA LYS A 663 -18.342 -19.627 11.591 1.00 41.46 C ATOM 531 C LYS A 663 -17.079 -19.112 10.923 1.00 23.37 C ATOM 532 O LYS A 663 -15.970 -19.392 11.383 1.00 27.34 O ATOM 533 CB LYS A 663 -18.874 -20.843 10.825 1.00 33.07 C ATOM 534 CG LYS A 663 -19.767 -21.768 11.637 1.00 45.82 C ATOM 535 CD LYS A 663 -19.841 -23.153 10.997 1.00 50.45 C ATOM 536 CE LYS A 663 -21.113 -23.894 11.396 1.00 57.53 C ATOM 537 NZ LYS A 663 -21.326 -23.917 12.873 1.00 62.24 N ATOM 538 HZ1 LYS A 663 -20.522 -24.393 13.331 1.00 0.00 H ATOM 539 HZ2 LYS A 663 -21.400 -22.942 13.227 1.00 0.00 H ATOM 540 HZ3 LYS A 663 -22.203 -24.432 13.088 1.00 0.00 H ATOM 541 H LYS A 663 -20.266 -18.716 11.210 1.00 0.00 H ATOM 542 N ASN A 664 -17.237 -18.360 9.838 1.00 29.68 N ATOM 543 CA ASN A 664 -16.082 -17.804 9.136 1.00 25.37 C ATOM 544 C ASN A 664 -15.279 -16.832 10.002 1.00 28.92 C ATOM 545 O ASN A 664 -14.049 -16.881 10.033 1.00 25.76 O ATOM 546 CB ASN A 664 -16.499 -17.119 7.825 1.00 22.75 C ATOM 547 CG ASN A 664 -17.067 -18.093 6.798 1.00 31.05 C ATOM 548 OD1 ASN A 664 -16.986 -19.306 6.966 1.00 36.41 O ATOM 549 ND2 ASN A 664 -17.643 -17.555 5.721 1.00 32.82 N ATOM 550 HD22 ASN A 664 -17.690 -16.521 5.618 1.00 0.00 H ATOM 551 HD21 ASN A 664 -18.045 -18.170 4.984 1.00 0.00 H ATOM 552 H ASN A 664 -18.195 -18.165 9.484 1.00 0.00 H ATOM 553 N ALA A 665 -15.981 -15.950 10.708 1.00 25.74 N ATOM 554 CA ALA A 665 -15.341 -14.987 11.588 1.00 21.93 C ATOM 555 C ALA A 665 -14.548 -15.695 12.684 1.00 21.45 C ATOM 556 O ALA A 665 -13.418 -15.315 13.004 1.00 24.80 O ATOM 557 CB ALA A 665 -16.391 -14.078 12.218 1.00 23.47 C ATOM 558 H ALA A 665 -17.018 -15.950 10.628 1.00 0.00 H ATOM 559 N ARG A 666 -15.147 -16.732 13.258 1.00 23.44 N ATOM 560 CA ARG A 666 -14.505 -17.482 14.326 1.00 21.18 C ATOM 561 C ARG A 666 -13.259 -18.213 13.830 1.00 20.04 C ATOM 562 O ARG A 666 -12.231 -18.244 14.516 1.00 21.11 O ATOM 563 CB ARG A 666 -15.495 -18.460 14.963 1.00 22.32 C ATOM 564 CG ARG A 666 -14.938 -19.183 16.153 1.00 30.46 C ATOM 565 CD ARG A 666 -15.913 -20.201 16.706 1.00 32.82 C ATOM 566 NE ARG A 666 -15.354 -20.829 17.894 1.00 40.39 N ATOM 567 CZ ARG A 666 -15.556 -20.396 19.132 1.00 41.99 C ATOM 568 NH1 ARG A 666 -16.322 -19.333 19.352 1.00 47.53 N ATOM 569 NH2 ARG A 666 -14.994 -21.031 20.150 1.00 43.94 N ATOM 570 HE ARG A 666 -14.758 -21.671 17.764 1.00 0.00 H ATOM 571 HH12 ARG A 666 -16.478 -18.997 20.324 1.00 0.00 H ATOM 572 HH11 ARG A 666 -16.766 -18.837 18.553 1.00 0.00 H ATOM 573 HH22 ARG A 666 -15.149 -20.695 21.122 1.00 0.00 H ATOM 574 HH21 ARG A 666 -14.397 -21.865 19.977 1.00 0.00 H ATOM 575 H ARG A 666 -16.095 -17.014 12.937 1.00 0.00 H ATOM 576 N ASN A 667 -13.350 -18.769 12.625 1.00 19.91 N ATOM 577 CA ASN A 667 -12.205 -19.410 11.982 1.00 23.87 C ATOM 578 C ASN A 667 -11.038 -18.440 11.784 1.00 20.69 C ATOM 579 O ASN A 667 -9.887 -18.759 12.110 1.00 20.18 O ATOM 580 CB ASN A 667 -12.633 -20.027 10.642 1.00 19.69 C ATOM 581 CG ASN A 667 -11.492 -20.739 9.926 1.00 21.37 C ATOM 582 OD1 ASN A 667 -11.125 -20.372 8.812 1.00 24.11 O ATOM 583 ND2 ASN A 667 -10.923 -21.737 10.571 1.00 17.91 N ATOM 584 HD22 ASN A 667 -11.268 -22.012 11.513 1.00 0.00 H ATOM 585 HD21 ASN A 667 -10.128 -22.250 10.138 1.00 0.00 H ATOM 586 H ASN A 667 -14.262 -18.747 12.126 1.00 0.00 H ATOM 587 N ASP A 668 -11.332 -17.259 11.249 1.00 23.08 N ATOM 588 CA ASP A 668 -10.296 -16.261 11.032 1.00 25.12 C ATOM 589 C ASP A 668 -9.693 -15.832 12.362 1.00 22.40 C ATOM 590 O ASP A 668 -8.489 -15.609 12.460 1.00 22.12 O ATOM 591 CB ASP A 668 -10.858 -15.047 10.297 1.00 24.35 C ATOM 592 CG ASP A 668 -11.047 -15.300 8.801 1.00 23.95 C ATOM 593 OD1 ASP A 668 -10.553 -16.323 8.295 1.00 27.26 O ATOM 594 OD2 ASP A 668 -11.684 -14.462 8.131 1.00 35.18 O ATOM 595 H ASP A 668 -12.314 -17.046 10.982 1.00 0.00 H ATOM 596 N PHE A 669 -10.530 -15.709 13.385 1.00 21.32 N ATOM 597 CA PHE A 669 -10.030 -15.339 14.701 1.00 20.53 C ATOM 598 C PHE A 669 -9.042 -16.356 15.256 1.00 22.74 C ATOM 599 O PHE A 669 -7.963 -15.979 15.722 1.00 17.49 O ATOM 600 CB PHE A 669 -11.187 -15.140 15.678 1.00 22.45 C ATOM 601 CG PHE A 669 -10.802 -14.402 16.921 1.00 20.03 C ATOM 602 CD1 PHE A 669 -10.269 -15.074 18.011 1.00 21.31 C ATOM 603 CD2 PHE A 669 -10.988 -13.025 17.009 1.00 26.95 C ATOM 604 CE1 PHE A 669 -9.926 -14.383 19.170 1.00 25.71 C ATOM 605 CE2 PHE A 669 -10.646 -12.337 18.160 1.00 29.50 C ATOM 606 CZ PHE A 669 -10.113 -13.013 19.232 1.00 27.97 C ATOM 607 H PHE A 669 -11.547 -15.878 13.246 1.00 0.00 H ATOM 608 N LEU A 670 -9.409 -17.640 15.197 1.00 18.23 N ATOM 609 CA LEU A 670 -8.542 -18.718 15.686 1.00 17.52 C ATOM 610 C LEU A 670 -7.212 -18.792 14.937 1.00 18.95 C ATOM 611 O LEU A 670 -6.178 -19.133 15.512 1.00 21.10 O ATOM 612 CB LEU A 670 -9.249 -20.065 15.584 1.00 20.01 C ATOM 613 CG LEU A 670 -10.406 -20.315 16.542 1.00 24.23 C ATOM 614 CD1 LEU A 670 -10.973 -21.670 16.217 1.00 20.35 C ATOM 615 CD2 LEU A 670 -9.921 -20.254 17.974 1.00 26.68 C ATOM 616 H LEU A 670 -10.336 -17.882 14.793 1.00 0.00 H ATOM 617 N LYS A 671 -7.235 -18.500 13.642 1.00 19.99 N ATOM 618 CA LYS A 671 -5.985 -18.457 12.901 1.00 16.99 C ATOM 619 C LYS A 671 -5.137 -17.249 13.299 1.00 19.23 C ATOM 620 O LYS A 671 -3.908 -17.335 13.326 1.00 20.50 O ATOM 621 CB LYS A 671 -6.227 -18.507 11.387 1.00 16.55 C ATOM 622 CG LYS A 671 -6.776 -19.857 10.949 1.00 18.35 C ATOM 623 CD LYS A 671 -6.676 -20.083 9.442 1.00 19.29 C ATOM 624 CE LYS A 671 -7.471 -19.043 8.665 1.00 18.25 C ATOM 625 NZ LYS A 671 -7.638 -19.483 7.245 1.00 20.54 N ATOM 626 HZ1 LYS A 671 -6.702 -19.597 6.806 1.00 0.00 H ATOM 627 HZ2 LYS A 671 -8.146 -20.390 7.222 1.00 0.00 H ATOM 628 HZ3 LYS A 671 -8.182 -18.767 6.723 1.00 0.00 H ATOM 629 H LYS A 671 -8.137 -18.304 13.163 1.00 0.00 H ATOM 630 N GLU A 672 -5.768 -16.114 13.599 1.00 21.05 N ATOM 631 CA GLU A 672 -4.999 -14.958 14.041 1.00 19.25 C ATOM 632 C GLU A 672 -4.306 -15.212 15.389 1.00 20.70 C ATOM 633 O GLU A 672 -3.194 -14.743 15.611 1.00 21.48 O ATOM 634 CB GLU A 672 -5.837 -13.662 14.066 1.00 19.74 C ATOM 635 CG GLU A 672 -5.052 -12.433 14.578 1.00 23.62 C ATOM 636 CD GLU A 672 -5.845 -11.137 14.516 1.00 33.03 C ATOM 637 OE1 GLU A 672 -5.274 -10.117 14.084 1.00 44.38 O ATOM 638 OE2 GLU A 672 -7.032 -11.129 14.903 1.00 38.73 O ATOM 639 H GLU A 672 -6.803 -16.054 13.518 1.00 0.00 H ATOM 640 N VAL A 673 -4.952 -15.978 16.263 1.00 23.48 N ATOM 641 CA VAL A 673 -4.338 -16.339 17.532 1.00 19.59 C ATOM 642 C VAL A 673 -3.073 -17.164 17.290 1.00 25.47 C ATOM 643 O VAL A 673 -2.046 -16.930 17.932 1.00 21.47 O ATOM 644 CB VAL A 673 -5.309 -17.113 18.439 1.00 19.18 C ATOM 645 CG1 VAL A 673 -4.586 -17.601 19.703 1.00 23.95 C ATOM 646 CG2 VAL A 673 -6.510 -16.261 18.792 1.00 27.39 C ATOM 647 H VAL A 673 -5.907 -16.323 16.037 1.00 0.00 H ATOM 648 N LYS A 674 -3.144 -18.119 16.363 1.00 20.52 N ATOM 649 CA LYS A 674 -1.986 -18.951 16.042 1.00 26.90 C ATOM 650 C LYS A 674 -0.844 -18.127 15.484 1.00 20.36 C ATOM 651 O LYS A 674 0.314 -18.364 15.805 1.00 26.97 O ATOM 652 CB LYS A 674 -2.338 -20.012 15.011 1.00 22.21 C ATOM 653 CG LYS A 674 -3.264 -21.082 15.486 1.00 24.14 C ATOM 654 CD LYS A 674 -3.442 -22.085 14.370 1.00 30.19 C ATOM 655 CE LYS A 674 -4.494 -23.097 14.711 1.00 31.98 C ATOM 656 NZ LYS A 674 -3.980 -24.084 15.686 1.00 29.53 N ATOM 657 HZ1 LYS A 674 -3.160 -24.577 15.279 1.00 0.00 H ATOM 658 HZ2 LYS A 674 -3.693 -23.593 16.556 1.00 0.00 H ATOM 659 HZ3 LYS A 674 -4.727 -24.774 15.906 1.00 0.00 H ATOM 660 H LYS A 674 -4.040 -18.275 15.859 1.00 0.00 H ATOM 661 N ILE A 675 -1.175 -17.169 14.627 1.00 20.88 N ATOM 662 CA ILE A 675 -0.161 -16.334 14.003 1.00 23.53 C ATOM 663 C ILE A 675 0.482 -15.434 15.063 1.00 23.10 C ATOM 664 O ILE A 675 1.710 -15.380 15.187 1.00 23.53 O ATOM 665 CB ILE A 675 -0.766 -15.505 12.839 1.00 26.02 C ATOM 666 CG1 ILE A 675 -1.324 -16.444 11.757 1.00 23.80 C ATOM 667 CG2 ILE A 675 0.267 -14.550 12.254 1.00 34.66 C ATOM 668 CD1 ILE A 675 -2.204 -15.724 10.728 1.00 25.09 C ATOM 669 H ILE A 675 -2.177 -17.013 14.398 1.00 0.00 H ATOM 670 N MET A 676 -0.349 -14.757 15.851 1.00 22.98 N ATOM 671 CA MET A 676 0.150 -13.857 16.885 1.00 24.78 C ATOM 672 C MET A 676 1.004 -14.580 17.924 1.00 23.82 C ATOM 673 O MET A 676 1.961 -14.012 18.442 1.00 26.76 O ATOM 674 CB MET A 676 -1.004 -13.133 17.581 1.00 20.34 C ATOM 675 CG MET A 676 -1.764 -12.170 16.690 1.00 26.68 C ATOM 676 SD MET A 676 -0.676 -10.982 15.876 1.00 22.38 S ATOM 677 CE MET A 676 0.050 -10.184 17.303 1.00 26.58 C ATOM 678 H MET A 676 -1.375 -14.872 15.727 1.00 0.00 H ATOM 679 N SER A 677 0.651 -15.830 18.211 1.00 22.79 N ATOM 680 CA SER A 677 1.295 -16.606 19.273 1.00 25.99 C ATOM 681 C SER A 677 2.800 -16.787 19.116 1.00 35.28 C ATOM 682 O SER A 677 3.511 -16.965 20.108 1.00 37.42 O ATOM 683 CB SER A 677 0.638 -17.986 19.398 1.00 33.15 C ATOM 684 OG SER A 677 0.959 -18.794 18.272 1.00 40.60 O ATOM 685 HG SER A 677 0.631 -18.354 17.448 1.00 0.00 H ATOM 686 H SER A 677 -0.112 -16.273 17.660 1.00 0.00 H ATOM 687 N ARG A 678 3.284 -16.735 17.880 1.00 32.61 N ATOM 688 CA ARG A 678 4.697 -16.945 17.559 1.00 35.46 C ATOM 689 C ARG A 678 5.498 -15.648 17.540 1.00 37.36 C ATOM 690 O ARG A 678 6.717 -15.655 17.683 1.00 38.07 O ATOM 691 CB ARG A 678 4.822 -17.582 16.175 1.00 34.53 C ATOM 692 CG ARG A 678 3.704 -18.534 15.814 1.00 33.39 C ATOM 693 CD ARG A 678 3.257 -18.321 14.375 1.00 31.39 C ATOM 694 NE ARG A 678 4.376 -18.284 13.438 1.00 33.40 N ATOM 695 CZ ARG A 678 4.236 -18.181 12.121 1.00 23.87 C ATOM 696 NH1 ARG A 678 3.019 -18.115 11.594 1.00 26.78 N ATOM 697 NH2 ARG A 678 5.302 -18.151 11.330 1.00 27.23 N ATOM 698 HE ARG A 678 5.340 -18.342 13.824 1.00 0.00 H ATOM 699 HH12 ARG A 678 2.902 -18.034 10.564 1.00 0.00 H ATOM 700 HH11 ARG A 678 2.183 -18.144 12.211 1.00 0.00 H ATOM 701 HH22 ARG A 678 5.183 -18.070 10.300 1.00 0.00 H ATOM 702 HH21 ARG A 678 6.256 -18.208 11.740 1.00 0.00 H ATOM 703 H ARG A 678 2.625 -16.535 17.100 1.00 0.00 H ATOM 704 N LEU A 679 4.809 -14.538 17.310 1.00 26.21 N ATOM 705 CA LEU A 679 5.487 -13.254 17.157 1.00 26.06 C ATOM 706 C LEU A 679 5.984 -12.719 18.502 1.00 25.07 C ATOM 707 O LEU A 679 5.197 -12.255 19.331 1.00 28.60 O ATOM 708 CB LEU A 679 4.555 -12.274 16.452 1.00 24.29 C ATOM 709 CG LEU A 679 4.095 -12.786 15.087 1.00 26.61 C ATOM 710 CD1 LEU A 679 3.200 -11.759 14.420 1.00 31.43 C ATOM 711 CD2 LEU A 679 5.298 -13.110 14.213 1.00 32.87 C ATOM 712 H LEU A 679 3.772 -14.583 17.238 1.00 0.00 H ATOM 713 N LYS A 680 7.297 -12.833 18.726 1.00 27.07 N ATOM 714 CA LYS A 680 7.919 -12.444 19.999 1.00 24.52 C ATOM 715 C LYS A 680 9.141 -11.540 19.811 1.00 23.35 C ATOM 716 O LYS A 680 10.285 -12.012 19.764 1.00 27.79 O ATOM 717 CB LYS A 680 8.285 -13.692 20.820 1.00 25.12 C ATOM 718 CG LYS A 680 7.076 -14.545 21.167 1.00 30.38 C ATOM 719 CD LYS A 680 7.465 -15.851 21.842 1.00 34.49 C ATOM 720 CE LYS A 680 6.247 -16.744 22.033 1.00 36.69 C ATOM 721 NZ LYS A 680 6.517 -17.873 22.972 1.00 51.11 N ATOM 722 HZ1 LYS A 680 7.291 -18.457 22.596 1.00 0.00 H ATOM 723 HZ2 LYS A 680 6.788 -17.492 23.901 1.00 0.00 H ATOM 724 HZ3 LYS A 680 5.659 -18.453 23.070 1.00 0.00 H ATOM 725 H LYS A 680 7.902 -13.212 17.970 1.00 0.00 H ATOM 726 N ASP A 681 8.880 -10.237 19.695 1.00 23.33 N ATOM 727 CA ASP A 681 9.909 -9.239 19.417 1.00 24.97 C ATOM 728 C ASP A 681 9.441 -7.896 19.997 1.00 26.78 C ATOM 729 O ASP A 681 8.237 -7.616 20.030 1.00 19.89 O ATOM 730 CB ASP A 681 10.128 -9.139 17.902 1.00 19.04 C ATOM 731 CG ASP A 681 11.205 -8.152 17.530 1.00 22.06 C ATOM 732 OD1 ASP A 681 12.403 -8.532 17.567 1.00 23.54 O ATOM 733 OD2 ASP A 681 10.854 -7.003 17.207 1.00 21.52 O ATOM 734 H ASP A 681 7.897 -9.917 19.808 1.00 0.00 H ATOM 735 N PRO A 682 10.386 -7.075 20.483 1.00 25.46 N ATOM 736 CA PRO A 682 10.068 -5.768 21.084 1.00 28.55 C ATOM 737 C PRO A 682 9.376 -4.769 20.151 1.00 20.92 C ATOM 738 O PRO A 682 8.695 -3.856 20.633 1.00 23.20 O ATOM 739 CB PRO A 682 11.442 -5.227 21.477 1.00 26.40 C ATOM 740 CG PRO A 682 12.279 -6.431 21.660 1.00 30.61 C ATOM 741 CD PRO A 682 11.809 -7.413 20.640 1.00 25.38 C ATOM 742 N ASN A 683 9.552 -4.921 18.838 1.00 18.71 N ATOM 743 CA ASN A 683 8.905 -4.032 17.892 1.00 21.75 C ATOM 744 C ASN A 683 7.810 -4.692 17.057 1.00 19.71 C ATOM 745 O ASN A 683 7.487 -4.229 15.961 1.00 18.06 O ATOM 746 CB ASN A 683 9.957 -3.364 17.020 1.00 22.63 C ATOM 747 CG ASN A 683 10.914 -2.541 17.845 1.00 23.84 C ATOM 748 OD1 ASN A 683 10.532 -1.513 18.413 1.00 26.16 O ATOM 749 ND2 ASN A 683 12.151 -3.000 17.956 1.00 20.80 N ATOM 750 HD22 ASN A 683 12.429 -3.870 17.460 1.00 0.00 H ATOM 751 HD21 ASN A 683 12.844 -2.490 18.540 1.00 0.00 H ATOM 752 H ASN A 683 10.161 -5.687 18.487 1.00 0.00 H ATOM 753 N ILE A 684 7.247 -5.779 17.580 1.00 18.31 N ATOM 754 CA ILE A 684 6.073 -6.398 16.995 1.00 18.70 C ATOM 755 C ILE A 684 5.037 -6.558 18.092 1.00 16.84 C ATOM 756 O ILE A 684 5.385 -6.824 19.251 1.00 19.84 O ATOM 757 CB ILE A 684 6.402 -7.789 16.403 1.00 21.70 C ATOM 758 CG1 ILE A 684 7.592 -7.709 15.435 1.00 18.56 C ATOM 759 CG2 ILE A 684 5.160 -8.433 15.784 1.00 21.03 C ATOM 760 CD1 ILE A 684 7.302 -7.064 14.096 1.00 19.59 C ATOM 761 H ILE A 684 7.663 -6.198 18.436 1.00 0.00 H ATOM 762 N ILE A 685 3.771 -6.354 17.746 1.00 21.40 N ATOM 763 CA ILE A 685 2.685 -6.569 18.693 1.00 18.28 C ATOM 764 C ILE A 685 2.842 -7.924 19.401 1.00 20.64 C ATOM 765 O ILE A 685 3.152 -8.936 18.772 1.00 21.74 O ATOM 766 CB ILE A 685 1.299 -6.479 18.009 1.00 21.48 C ATOM 767 CG1 ILE A 685 1.040 -5.052 17.525 1.00 27.01 C ATOM 768 CG2 ILE A 685 0.187 -6.891 18.934 1.00 23.67 C ATOM 769 CD1 ILE A 685 1.210 -4.004 18.610 1.00 30.36 C ATOM 770 H ILE A 685 3.551 -6.035 16.781 1.00 0.00 H ATOM 771 N ARG A 686 2.659 -7.900 20.713 1.00 21.80 N ATOM 772 CA ARG A 686 2.863 -9.063 21.567 1.00 27.12 C ATOM 773 C ARG A 686 1.531 -9.611 22.066 1.00 23.86 C ATOM 774 O ARG A 686 0.643 -8.852 22.436 1.00 27.78 O ATOM 775 CB ARG A 686 3.713 -8.639 22.766 1.00 27.84 C ATOM 776 CG ARG A 686 4.027 -9.747 23.745 1.00 41.97 C ATOM 777 CD ARG A 686 5.086 -9.301 24.746 1.00 46.28 C ATOM 778 NE ARG A 686 4.629 -8.201 25.592 1.00 46.65 N ATOM 779 CZ ARG A 686 5.289 -7.759 26.659 1.00 46.31 C ATOM 780 NH1 ARG A 686 6.438 -8.321 27.005 1.00 34.91 N ATOM 781 NH2 ARG A 686 4.806 -6.758 27.385 1.00 42.33 N ATOM 782 HE ARG A 686 3.733 -7.735 25.345 1.00 0.00 H ATOM 783 HH12 ARG A 686 6.955 -7.976 27.839 1.00 0.00 H ATOM 784 HH11 ARG A 686 6.823 -9.107 26.443 1.00 0.00 H ATOM 785 HH22 ARG A 686 5.329 -6.420 28.217 1.00 0.00 H ATOM 786 HH21 ARG A 686 3.904 -6.312 27.121 1.00 0.00 H ATOM 787 H ARG A 686 2.355 -7.009 21.154 1.00 0.00 H ATOM 788 N LEU A 687 1.403 -10.930 22.094 1.00 24.82 N ATOM 789 CA LEU A 687 0.230 -11.566 22.678 1.00 24.94 C ATOM 790 C LEU A 687 0.475 -11.816 24.165 1.00 27.18 C ATOM 791 O LEU A 687 1.203 -12.731 24.529 1.00 39.21 O ATOM 792 CB LEU A 687 -0.085 -12.868 21.943 1.00 32.73 C ATOM 793 CG LEU A 687 -1.449 -13.517 22.193 1.00 37.72 C ATOM 794 CD1 LEU A 687 -2.575 -12.542 21.893 1.00 27.21 C ATOM 795 CD2 LEU A 687 -1.604 -14.780 21.357 1.00 45.61 C ATOM 796 H LEU A 687 2.156 -11.523 21.691 1.00 0.00 H ATOM 797 N LEU A 688 -0.110 -10.975 25.015 1.00 26.22 N ATOM 798 CA LEU A 688 0.034 -11.104 26.464 1.00 35.39 C ATOM 799 C LEU A 688 -0.760 -12.287 26.992 1.00 33.76 C ATOM 800 O LEU A 688 -0.392 -12.901 27.998 1.00 32.83 O ATOM 801 CB LEU A 688 -0.437 -9.831 27.175 1.00 39.83 C ATOM 802 CG LEU A 688 0.334 -8.534 26.920 1.00 41.84 C ATOM 803 CD1 LEU A 688 -0.348 -7.363 27.600 1.00 27.48 C ATOM 804 CD2 LEU A 688 1.775 -8.646 27.385 1.00 37.90 C ATOM 805 H LEU A 688 -0.689 -10.199 24.635 1.00 0.00 H ATOM 806 N GLY A 689 -1.864 -12.602 26.327 1.00 28.99 N ATOM 807 CA GLY A 689 -2.742 -13.650 26.809 1.00 26.06 C ATOM 808 C GLY A 689 -3.923 -13.866 25.892 1.00 24.42 C ATOM 809 O GLY A 689 -4.162 -13.068 24.979 1.00 25.85 O ATOM 810 H GLY A 689 -2.102 -12.092 25.452 1.00 0.00 H ATOM 811 N VAL A 690 -4.639 -14.958 26.130 1.00 29.31 N ATOM 812 CA VAL A 690 -5.867 -15.269 25.419 1.00 30.94 C ATOM 813 C VAL A 690 -6.963 -15.755 26.365 1.00 31.22 C ATOM 814 O VAL A 690 -6.689 -16.280 27.448 1.00 37.22 O ATOM 815 CB VAL A 690 -5.630 -16.370 24.354 1.00 28.44 C ATOM 816 CG1 VAL A 690 -4.600 -15.911 23.343 1.00 32.36 C ATOM 817 CG2 VAL A 690 -5.200 -17.671 25.022 1.00 31.19 C ATOM 818 H VAL A 690 -4.306 -15.621 26.859 1.00 0.00 H ATOM 819 N CYS A 691 -8.210 -15.560 25.957 1.00 31.38 N ATOM 820 CA CYS A 691 -9.342 -16.214 26.594 1.00 38.53 C ATOM 821 C CYS A 691 -10.063 -16.955 25.476 1.00 39.02 C ATOM 822 O CYS A 691 -10.811 -16.344 24.711 1.00 39.72 O ATOM 823 CB CYS A 691 -10.283 -15.187 27.231 1.00 41.48 C ATOM 824 SG CYS A 691 -9.508 -13.975 28.346 1.00 36.38 S ATOM 825 H CYS A 691 -8.384 -14.919 25.156 1.00 0.00 H ATOM 826 N VAL A 692 -9.816 -18.257 25.354 1.00 39.18 N ATOM 827 CA VAL A 692 -10.315 -19.011 24.202 1.00 35.08 C ATOM 828 C VAL A 692 -10.898 -20.380 24.546 1.00 47.12 C ATOM 829 O VAL A 692 -11.337 -21.107 23.654 1.00 49.93 O ATOM 830 CB VAL A 692 -9.216 -19.215 23.145 1.00 39.72 C ATOM 831 CG1 VAL A 692 -8.821 -17.884 22.521 1.00 37.33 C ATOM 832 CG2 VAL A 692 -8.015 -19.914 23.766 1.00 42.05 C ATOM 833 H VAL A 692 -9.262 -18.745 26.086 1.00 0.00 H ATOM 834 N GLN A 693 -10.893 -20.737 25.825 1.00 45.62 N ATOM 835 CA GLN A 693 -11.480 -22.002 26.264 1.00 41.56 C ATOM 836 C GLN A 693 -12.999 -21.885 26.393 1.00 44.72 C ATOM 837 O GLN A 693 -13.710 -22.891 26.461 1.00 42.48 O ATOM 838 CB GLN A 693 -10.846 -22.481 27.574 1.00 45.06 C ATOM 839 CG GLN A 693 -9.430 -23.027 27.413 1.00 57.86 C ATOM 840 CD GLN A 693 -9.368 -24.279 26.543 1.00 65.62 C ATOM 841 OE1 GLN A 693 -8.526 -24.387 25.651 1.00 57.75 O ATOM 842 NE2 GLN A 693 -10.256 -25.234 26.809 1.00 67.65 N ATOM 843 HE22 GLN A 693 -10.950 -25.101 27.572 1.00 0.00 H ATOM 844 HE21 GLN A 693 -10.256 -26.113 26.254 1.00 0.00 H ATOM 845 H GLN A 693 -10.463 -20.104 26.529 1.00 0.00 H ATOM 846 N ASP A 694 -13.480 -20.647 26.430 1.00 42.47 N ATOM 847 CA ASP A 694 -14.906 -20.357 26.335 1.00 42.96 C ATOM 848 C ASP A 694 -15.145 -19.046 25.582 1.00 42.98 C ATOM 849 O ASP A 694 -14.199 -18.385 25.159 1.00 46.22 O ATOM 850 CB ASP A 694 -15.583 -20.339 27.715 1.00 45.27 C ATOM 851 CG ASP A 694 -14.778 -19.584 28.766 1.00 48.22 C ATOM 852 OD1 ASP A 694 -13.832 -18.862 28.402 1.00 48.88 O ATOM 853 OD2 ASP A 694 -15.104 -19.716 29.969 1.00 47.19 O ATOM 854 H ASP A 694 -12.814 -19.855 26.531 1.00 0.00 H ATOM 855 N ASP A 695 -16.412 -18.686 25.410 1.00 48.28 N ATOM 856 CA ASP A 695 -16.781 -17.503 24.636 1.00 52.06 C ATOM 857 C ASP A 695 -17.024 -16.299 25.543 1.00 55.51 C ATOM 858 O ASP A 695 -17.389 -16.468 26.704 1.00 63.83 O ATOM 859 CB ASP A 695 -18.036 -17.792 23.807 1.00 56.01 C ATOM 860 CG ASP A 695 -17.735 -18.576 22.545 1.00 55.79 C ATOM 861 OD1 ASP A 695 -16.607 -19.098 22.420 1.00 43.69 O ATOM 862 OD2 ASP A 695 -18.633 -18.677 21.683 1.00 60.66 O ATOM 863 H ASP A 695 -17.163 -19.263 25.839 1.00 0.00 H ATOM 864 N PRO A 696 -16.821 -15.078 25.020 1.00 53.79 N ATOM 865 CA PRO A 696 -16.325 -14.787 23.671 1.00 52.76 C ATOM 866 C PRO A 696 -14.812 -14.928 23.587 1.00 44.82 C ATOM 867 O PRO A 696 -14.104 -14.725 24.575 1.00 44.13 O ATOM 868 CB PRO A 696 -16.725 -13.326 23.467 1.00 57.51 C ATOM 869 CG PRO A 696 -16.700 -12.754 24.833 1.00 60.53 C ATOM 870 CD PRO A 696 -17.192 -13.848 25.739 1.00 57.06 C ATOM 871 N LEU A 697 -14.315 -15.283 22.411 1.00 37.98 N ATOM 872 CA LEU A 697 -12.881 -15.428 22.240 1.00 29.26 C ATOM 873 C LEU A 697 -12.176 -14.082 22.386 1.00 25.18 C ATOM 874 O LEU A 697 -12.620 -13.079 21.830 1.00 39.18 O ATOM 875 CB LEU A 697 -12.563 -16.048 20.878 1.00 32.78 C ATOM 876 CG LEU A 697 -13.205 -17.401 20.557 1.00 30.49 C ATOM 877 CD1 LEU A 697 -12.669 -17.923 19.243 1.00 30.62 C ATOM 878 CD2 LEU A 697 -12.957 -18.402 21.671 1.00 35.71 C ATOM 879 H LEU A 697 -14.954 -15.458 21.609 1.00 0.00 H ATOM 880 N CYS A 698 -11.063 -14.077 23.113 1.00 31.88 N ATOM 881 CA CYS A 698 -10.311 -12.853 23.388 1.00 32.83 C ATOM 882 C CYS A 698 -8.824 -13.016 23.163 1.00 22.91 C ATOM 883 O CYS A 698 -8.254 -14.066 23.474 1.00 33.27 O ATOM 884 CB CYS A 698 -10.464 -12.448 24.864 1.00 29.89 C ATOM 885 SG CYS A 698 -12.092 -11.886 25.364 1.00 44.62 S ATOM 886 H CYS A 698 -10.714 -14.977 23.501 1.00 0.00 H ATOM 887 N MET A 699 -8.203 -11.964 22.645 1.00 23.26 N ATOM 888 CA MET A 699 -6.752 -11.823 22.621 1.00 26.46 C ATOM 889 C MET A 699 -6.395 -10.546 23.360 1.00 27.21 C ATOM 890 O MET A 699 -7.132 -9.572 23.289 1.00 25.61 O ATOM 891 CB MET A 699 -6.236 -11.702 21.189 1.00 27.69 C ATOM 892 CG MET A 699 -5.823 -13.000 20.514 1.00 21.60 C ATOM 893 SD MET A 699 -5.215 -12.672 18.843 1.00 23.39 S ATOM 894 CE MET A 699 -6.746 -12.245 18.019 1.00 20.62 C ATOM 895 H MET A 699 -8.780 -11.202 22.236 1.00 0.00 H ATOM 896 N ILE A 700 -5.257 -10.540 24.040 1.00 31.20 N ATOM 897 CA ILE A 700 -4.861 -9.392 24.844 1.00 24.03 C ATOM 898 C ILE A 700 -3.480 -8.927 24.465 1.00 23.23 C ATOM 899 O ILE A 700 -2.575 -9.740 24.328 1.00 24.30 O ATOM 900 CB ILE A 700 -4.826 -9.782 26.321 1.00 23.31 C ATOM 901 CG1 ILE A 700 -6.184 -10.322 26.753 1.00 26.93 C ATOM 902 CG2 ILE A 700 -4.432 -8.604 27.158 1.00 23.13 C ATOM 903 CD1 ILE A 700 -6.108 -11.116 28.001 1.00 27.24 C ATOM 904 H ILE A 700 -4.634 -11.372 23.998 1.00 0.00 H ATOM 905 N THR A 701 -3.303 -7.612 24.337 1.00 23.25 N ATOM 906 CA THR A 701 -1.981 -7.063 24.028 1.00 25.06 C ATOM 907 C THR A 701 -1.690 -5.789 24.814 1.00 21.51 C ATOM 908 O THR A 701 -2.577 -5.239 25.478 1.00 25.15 O ATOM 909 CB THR A 701 -1.799 -6.809 22.516 1.00 21.49 C ATOM 910 OG1 THR A 701 -0.417 -6.552 22.249 1.00 22.93 O ATOM 911 CG2 THR A 701 -2.650 -5.621 22.048 1.00 18.79 C ATOM 912 HG1 THR A 701 0.122 -7.336 22.523 1.00 0.00 H ATOM 913 H THR A 701 -4.112 -6.970 24.458 1.00 0.00 H ATOM 914 N ASP A 702 -0.442 -5.335 24.761 1.00 25.91 N ATOM 915 CA ASP A 702 -0.070 -4.084 25.439 1.00 25.38 C ATOM 916 C ASP A 702 -0.861 -2.899 24.878 1.00 24.01 C ATOM 917 O ASP A 702 -1.074 -2.800 23.671 1.00 29.97 O ATOM 918 CB ASP A 702 1.427 -3.778 25.278 1.00 31.92 C ATOM 919 CG ASP A 702 2.322 -4.931 25.696 1.00 36.15 C ATOM 920 OD1 ASP A 702 2.574 -5.078 26.911 1.00 40.93 O ATOM 921 OD2 ASP A 702 2.804 -5.662 24.802 1.00 29.34 O ATOM 922 H ASP A 702 0.279 -5.870 24.235 1.00 0.00 H ATOM 923 N TYR A 703 -1.273 -1.988 25.757 1.00 25.92 N ATOM 924 CA TYR A 703 -1.885 -0.746 25.314 1.00 22.79 C ATOM 925 C TYR A 703 -0.796 0.239 24.880 1.00 24.91 C ATOM 926 O TYR A 703 0.140 0.531 25.625 1.00 28.83 O ATOM 927 CB TYR A 703 -2.796 -0.148 26.394 1.00 26.62 C ATOM 928 CG TYR A 703 -3.375 1.202 26.023 1.00 27.03 C ATOM 929 CD1 TYR A 703 -4.067 1.388 24.825 1.00 25.97 C ATOM 930 CD2 TYR A 703 -3.226 2.292 26.872 1.00 29.65 C ATOM 931 CE1 TYR A 703 -4.607 2.642 24.497 1.00 27.54 C ATOM 932 CE2 TYR A 703 -3.749 3.527 26.553 1.00 34.48 C ATOM 933 CZ TYR A 703 -4.440 3.699 25.380 1.00 32.48 C ATOM 934 OH TYR A 703 -4.951 4.945 25.092 1.00 36.56 O ATOM 935 HH TYR A 703 -5.420 4.915 24.220 1.00 0.00 H ATOM 936 H TYR A 703 -1.155 -2.167 26.775 1.00 0.00 H ATOM 937 N MET A 704 -0.923 0.705 23.642 1.00 20.58 N ATOM 938 CA MET A 704 0.026 1.612 23.021 1.00 24.40 C ATOM 939 C MET A 704 -0.667 2.957 22.984 1.00 29.52 C ATOM 940 O MET A 704 -1.517 3.210 22.132 1.00 25.59 O ATOM 941 CB MET A 704 0.350 1.109 21.623 1.00 22.90 C ATOM 942 CG MET A 704 0.927 -0.299 21.613 1.00 27.04 C ATOM 943 SD MET A 704 2.580 -0.330 22.325 1.00 29.56 S ATOM 944 CE MET A 704 3.514 0.481 21.028 1.00 26.77 C ATOM 945 H MET A 704 -1.749 0.403 23.086 1.00 0.00 H ATOM 946 N GLU A 705 -0.324 3.805 23.947 1.00 26.66 N ATOM 947 CA GLU A 705 -1.175 4.932 24.298 1.00 27.91 C ATOM 948 C GLU A 705 -1.222 6.034 23.249 1.00 25.75 C ATOM 949 O GLU A 705 -2.101 6.898 23.288 1.00 33.21 O ATOM 950 CB GLU A 705 -0.775 5.502 25.667 1.00 28.18 C ATOM 951 CG GLU A 705 0.644 6.003 25.744 1.00 25.49 C ATOM 952 CD GLU A 705 0.962 6.619 27.092 1.00 48.03 C ATOM 953 OE1 GLU A 705 0.234 6.321 28.061 1.00 57.98 O ATOM 954 OE2 GLU A 705 1.934 7.401 27.183 1.00 46.90 O ATOM 955 H GLU A 705 0.569 3.661 24.460 1.00 0.00 H ATOM 956 N ASN A 706 -0.290 6.002 22.305 1.00 25.07 N ATOM 957 CA ASN A 706 -0.245 7.051 21.291 1.00 24.21 C ATOM 958 C ASN A 706 -0.837 6.664 19.924 1.00 24.95 C ATOM 959 O ASN A 706 -0.715 7.408 18.958 1.00 25.90 O ATOM 960 CB ASN A 706 1.166 7.647 21.171 1.00 23.97 C ATOM 961 CG ASN A 706 1.512 8.562 22.344 1.00 28.99 C ATOM 962 OD1 ASN A 706 0.910 9.624 22.512 1.00 36.80 O ATOM 963 ND2 ASN A 706 2.482 8.158 23.150 1.00 28.59 N ATOM 964 HD22 ASN A 706 2.964 7.254 22.971 1.00 0.00 H ATOM 965 HD21 ASN A 706 2.762 8.745 23.962 1.00 0.00 H ATOM 966 H ASN A 706 0.407 5.231 22.288 1.00 0.00 H ATOM 967 N GLY A 707 -1.501 5.513 19.853 1.00 23.78 N ATOM 968 CA GLY A 707 -2.288 5.174 18.681 1.00 21.16 C ATOM 969 C GLY A 707 -1.460 4.811 17.460 1.00 20.24 C ATOM 970 O GLY A 707 -0.287 4.450 17.583 1.00 23.37 O ATOM 971 H GLY A 707 -1.455 4.846 20.650 1.00 0.00 H ATOM 972 N ASP A 708 -2.062 4.888 16.274 1.00 21.65 N ATOM 973 CA ASP A 708 -1.323 4.513 15.067 1.00 20.97 C ATOM 974 C ASP A 708 -0.304 5.588 14.676 1.00 18.09 C ATOM 975 O ASP A 708 -0.490 6.765 14.957 1.00 18.42 O ATOM 976 CB ASP A 708 -2.246 4.031 13.904 1.00 22.72 C ATOM 977 CG ASP A 708 -2.757 5.158 12.992 1.00 20.97 C ATOM 978 OD1 ASP A 708 -1.983 6.046 12.585 1.00 19.66 O ATOM 979 OD2 ASP A 708 -3.963 5.137 12.642 1.00 23.58 O ATOM 980 H ASP A 708 -3.048 5.212 16.206 1.00 0.00 H ATOM 981 N LEU A 709 0.783 5.158 14.049 1.00 17.82 N ATOM 982 CA LEU A 709 1.899 6.036 13.754 1.00 16.86 C ATOM 983 C LEU A 709 1.557 7.127 12.734 1.00 20.19 C ATOM 984 O LEU A 709 2.097 8.230 12.788 1.00 19.40 O ATOM 985 CB LEU A 709 3.093 5.206 13.301 1.00 16.82 C ATOM 986 CG LEU A 709 4.361 5.957 12.899 1.00 18.37 C ATOM 987 CD1 LEU A 709 5.028 6.681 14.077 1.00 16.26 C ATOM 988 CD2 LEU A 709 5.341 4.972 12.257 1.00 14.05 C ATOM 989 H LEU A 709 0.837 4.160 13.760 1.00 0.00 H ATOM 990 N ASN A 710 0.634 6.835 11.826 1.00 17.82 N ATOM 991 CA ASN A 710 0.256 7.839 10.846 1.00 15.70 C ATOM 992 C ASN A 710 -0.418 9.039 11.509 1.00 19.31 C ATOM 993 O ASN A 710 -0.038 10.185 11.255 1.00 19.74 O ATOM 994 CB ASN A 710 -0.608 7.243 9.739 1.00 14.98 C ATOM 995 CG ASN A 710 -0.810 8.210 8.604 1.00 16.92 C ATOM 996 OD1 ASN A 710 -1.555 9.181 8.719 1.00 20.83 O ATOM 997 ND2 ASN A 710 -0.134 7.958 7.490 1.00 18.12 N ATOM 998 HD22 ASN A 710 0.486 7.125 7.435 1.00 0.00 H ATOM 999 HD21 ASN A 710 -0.224 8.594 6.672 1.00 0.00 H ATOM 1000 H ASN A 710 0.186 5.897 11.816 1.00 0.00 H ATOM 1001 N GLN A 711 -1.402 8.783 12.371 1.00 21.41 N ATOM 1002 CA GLN A 711 -2.021 9.863 13.134 1.00 17.27 C ATOM 1003 C GLN A 711 -1.026 10.592 14.046 1.00 21.95 C ATOM 1004 O GLN A 711 -1.081 11.816 14.154 1.00 24.30 O ATOM 1005 CB GLN A 711 -3.179 9.337 13.991 1.00 31.44 C ATOM 1006 CG GLN A 711 -4.290 8.650 13.219 1.00 45.73 C ATOM 1007 CD GLN A 711 -5.448 8.244 14.115 1.00 60.93 C ATOM 1008 OE1 GLN A 711 -5.986 7.141 13.998 1.00 60.83 O ATOM 1009 NE2 GLN A 711 -5.839 9.141 15.017 1.00 69.88 N ATOM 1010 HE22 GLN A 711 -5.356 10.060 15.080 1.00 0.00 H ATOM 1011 HE21 GLN A 711 -6.628 8.923 15.659 1.00 0.00 H ATOM 1012 H GLN A 711 -1.732 7.805 12.501 1.00 0.00 H ATOM 1013 N PHE A 712 -0.153 9.834 14.714 1.00 20.22 N ATOM 1014 CA PHE A 712 0.853 10.364 15.648 1.00 26.18 C ATOM 1015 C PHE A 712 1.801 11.331 14.952 1.00 22.80 C ATOM 1016 O PHE A 712 2.001 12.465 15.401 1.00 23.75 O ATOM 1017 CB PHE A 712 1.668 9.193 16.253 1.00 18.59 C ATOM 1018 CG PHE A 712 2.765 9.620 17.204 1.00 26.91 C ATOM 1019 CD1 PHE A 712 2.470 9.930 18.520 1.00 30.07 C ATOM 1020 CD2 PHE A 712 4.091 9.675 16.785 1.00 24.82 C ATOM 1021 CE1 PHE A 712 3.472 10.311 19.406 1.00 25.58 C ATOM 1022 CE2 PHE A 712 5.098 10.052 17.666 1.00 26.07 C ATOM 1023 CZ PHE A 712 4.782 10.374 18.978 1.00 29.92 C ATOM 1024 H PHE A 712 -0.186 8.805 14.565 1.00 0.00 H ATOM 1025 N LEU A 713 2.405 10.869 13.865 1.00 19.36 N ATOM 1026 CA LEU A 713 3.377 11.678 13.157 1.00 21.65 C ATOM 1027 C LEU A 713 2.700 12.888 12.530 1.00 15.61 C ATOM 1028 O LEU A 713 3.283 13.979 12.507 1.00 18.47 O ATOM 1029 CB LEU A 713 4.133 10.865 12.104 1.00 28.59 C ATOM 1030 CG LEU A 713 5.296 9.997 12.592 1.00 27.91 C ATOM 1031 CD1 LEU A 713 5.986 9.295 11.429 1.00 31.01 C ATOM 1032 CD2 LEU A 713 6.289 10.847 13.383 1.00 29.27 C ATOM 1033 H LEU A 713 2.178 9.916 13.517 1.00 0.00 H ATOM 1034 N SER A 714 1.475 12.704 12.032 1.00 22.25 N ATOM 1035 CA SER A 714 0.712 13.786 11.393 1.00 24.99 C ATOM 1036 C SER A 714 0.542 14.972 12.330 1.00 21.40 C ATOM 1037 O SER A 714 0.449 16.120 11.885 1.00 25.53 O ATOM 1038 CB SER A 714 -0.679 13.296 10.950 1.00 19.06 C ATOM 1039 OG SER A 714 -0.568 12.310 9.953 1.00 30.05 O ATOM 1040 HG SER A 714 -0.056 11.540 10.307 1.00 0.00 H ATOM 1041 H SER A 714 1.044 11.760 12.099 1.00 0.00 H ATOM 1042 N ALA A 715 0.532 14.689 13.633 1.00 22.60 N ATOM 1043 CA ALA A 715 0.379 15.719 14.648 1.00 21.67 C ATOM 1044 C ALA A 715 1.714 16.327 15.103 1.00 25.61 C ATOM 1045 O ALA A 715 1.770 17.003 16.138 1.00 35.30 O ATOM 1046 CB ALA A 715 -0.370 15.149 15.841 1.00 26.96 C ATOM 1047 H ALA A 715 0.637 13.699 13.933 1.00 0.00 H ATOM 1048 N HIS A 716 2.781 16.079 14.343 1.00 30.85 N ATOM 1049 CA HIS A 716 4.104 16.618 14.657 1.00 30.81 C ATOM 1050 C HIS A 716 4.691 17.332 13.454 1.00 26.29 C ATOM 1051 O HIS A 716 4.381 16.995 12.307 1.00 24.97 O ATOM 1052 CB HIS A 716 5.078 15.508 15.076 1.00 29.92 C ATOM 1053 CG HIS A 716 4.785 14.907 16.411 1.00 29.33 C ATOM 1054 ND1 HIS A 716 3.735 14.040 16.622 1.00 28.86 N ATOM 1055 CD2 HIS A 716 5.404 15.047 17.609 1.00 27.84 C ATOM 1056 CE1 HIS A 716 3.720 13.671 17.888 1.00 25.95 C ATOM 1057 NE2 HIS A 716 4.727 14.260 18.508 1.00 28.39 N ATOM 1058 H HIS A 716 2.669 15.482 13.499 1.00 0.00 H ATOM 1059 N GLN A 717 5.555 18.308 13.729 1.00 36.06 N ATOM 1060 CA GLN A 717 6.333 18.975 12.696 1.00 33.87 C ATOM 1061 C GLN A 717 7.815 18.764 13.002 1.00 25.96 C ATOM 1062 O GLN A 717 8.183 18.583 14.157 1.00 31.39 O ATOM 1063 CB GLN A 717 5.999 20.469 12.663 1.00 49.01 C ATOM 1064 CG GLN A 717 5.992 21.065 11.265 1.00 57.12 C ATOM 1065 CD GLN A 717 5.289 22.412 11.202 1.00 69.15 C ATOM 1066 OE1 GLN A 717 4.892 22.967 12.227 1.00 69.92 O ATOM 1067 NE2 GLN A 717 5.128 22.940 9.992 1.00 73.16 N ATOM 1068 HE22 GLN A 717 5.480 22.435 9.153 1.00 0.00 H ATOM 1069 HE21 GLN A 717 4.650 23.858 9.884 1.00 0.00 H ATOM 1070 H GLN A 717 5.678 18.604 14.718 1.00 0.00 H ATOM 1071 N LEU A 718 8.659 18.757 11.972 1.00 31.00 N ATOM 1072 CA LEU A 718 10.101 18.657 12.186 1.00 29.84 C ATOM 1073 C LEU A 718 10.570 19.872 12.975 1.00 33.94 C ATOM 1074 O LEU A 718 10.197 21.008 12.657 1.00 32.44 O ATOM 1075 CB LEU A 718 10.850 18.575 10.854 1.00 28.95 C ATOM 1076 CG LEU A 718 12.369 18.375 10.947 1.00 28.09 C ATOM 1077 CD1 LEU A 718 12.691 16.992 11.501 1.00 37.16 C ATOM 1078 CD2 LEU A 718 13.050 18.597 9.594 1.00 28.74 C ATOM 1079 H LEU A 718 8.287 18.824 11.003 1.00 0.00 H ATOM 1080 N GLU A 719 11.370 19.649 14.013 1.00 28.04 N ATOM 1081 CA GLU A 719 11.821 20.776 14.821 1.00 36.35 C ATOM 1082 C GLU A 719 12.647 21.753 13.993 1.00 33.14 C ATOM 1083 O GLU A 719 13.404 21.357 13.107 1.00 36.96 O ATOM 1084 CB GLU A 719 12.585 20.310 16.063 1.00 47.77 C ATOM 1085 CG GLU A 719 13.948 19.707 15.798 1.00 56.48 C ATOM 1086 CD GLU A 719 14.718 19.446 17.084 1.00 62.64 C ATOM 1087 OE1 GLU A 719 14.074 19.261 18.141 1.00 53.30 O ATOM 1088 OE2 GLU A 719 15.966 19.433 17.039 1.00 69.81 O ATOM 1089 H GLU A 719 11.671 18.681 14.246 1.00 0.00 H ATOM 1090 N ASP A 720 12.450 23.038 14.256 1.00 36.83 N ATOM 1091 CA ASP A 720 13.244 24.081 13.632 1.00 43.37 C ATOM 1092 C ASP A 720 14.345 24.429 14.617 1.00 51.95 C ATOM 1093 O ASP A 720 14.070 24.891 15.724 1.00 56.37 O ATOM 1094 CB ASP A 720 12.375 25.304 13.335 1.00 38.38 C ATOM 1095 CG ASP A 720 13.155 26.445 12.707 1.00 47.61 C ATOM 1096 OD1 ASP A 720 14.240 26.199 12.138 1.00 50.79 O ATOM 1097 OD2 ASP A 720 12.673 27.593 12.775 1.00 52.50 O ATOM 1098 H ASP A 720 11.704 23.306 14.929 1.00 0.00 H ATOM 1099 N LYS A 721 15.586 24.176 14.214 1.00 60.30 N ATOM 1100 CA LYS A 721 16.742 24.356 15.084 1.00 72.11 C ATOM 1101 C LYS A 721 16.848 25.799 15.564 1.00 74.68 C ATOM 1102 O LYS A 721 17.273 26.062 16.691 1.00 77.25 O ATOM 1103 CB LYS A 721 18.016 23.946 14.344 1.00 80.49 C ATOM 1104 CG LYS A 721 17.909 22.598 13.645 1.00 82.72 C ATOM 1105 CD LYS A 721 19.068 22.375 12.687 1.00 84.49 C ATOM 1106 CE LYS A 721 18.897 21.083 11.903 1.00 83.13 C ATOM 1107 NZ LYS A 721 19.962 20.922 10.874 1.00 86.82 N ATOM 1108 HZ1 LYS A 721 19.922 21.719 10.207 1.00 0.00 H ATOM 1109 HZ2 LYS A 721 20.892 20.904 11.339 1.00 0.00 H ATOM 1110 HZ3 LYS A 721 19.813 20.031 10.359 1.00 0.00 H ATOM 1111 H LYS A 721 15.738 23.837 13.243 1.00 0.00 H ATOM 1112 N ALA A 722 16.442 26.728 14.702 1.00 70.84 N ATOM 1113 CA ALA A 722 16.449 28.148 15.032 1.00 66.10 C ATOM 1114 C ALA A 722 15.414 28.481 16.104 1.00 70.96 C ATOM 1115 O ALA A 722 15.486 29.536 16.734 1.00 73.67 O ATOM 1116 CB ALA A 722 16.210 28.981 13.782 1.00 56.41 C ATOM 1117 H ALA A 722 16.109 26.431 13.762 1.00 0.00 H ATOM 1118 N ALA A 723 14.458 27.574 16.300 1.00 73.80 N ATOM 1119 CA ALA A 723 13.411 27.722 17.313 1.00 75.24 C ATOM 1120 C ALA A 723 12.650 29.041 17.195 1.00 75.55 C ATOM 1121 O ALA A 723 12.733 29.895 18.078 1.00 76.32 O ATOM 1122 CB ALA A 723 13.990 27.561 18.717 1.00 75.69 C ATOM 1123 H ALA A 723 14.455 26.721 15.706 1.00 0.00 H TER 1124 ALA A 723 ATOM 1125 N PRO A 736 3.781 20.490 19.344 1.00 65.99 N ATOM 1126 CA PRO A 736 4.707 19.372 19.559 1.00 60.64 C ATOM 1127 C PRO A 736 5.528 19.062 18.313 1.00 54.30 C ATOM 1128 O PRO A 736 4.983 18.985 17.211 1.00 50.65 O ATOM 1129 CB PRO A 736 3.777 18.199 19.892 1.00 60.03 C ATOM 1130 CG PRO A 736 2.443 18.599 19.359 1.00 64.42 C ATOM 1131 CD PRO A 736 2.378 20.083 19.517 1.00 67.64 C ATOM 1132 HN2 PRO A 736 3.909 20.852 18.377 1.00 0.00 H ATOM 1133 HN1 PRO A 736 3.999 21.243 20.027 1.00 0.00 H ATOM 1134 N THR A 737 6.833 18.889 18.493 1.00 46.75 N ATOM 1135 CA THR A 737 7.729 18.632 17.376 1.00 36.74 C ATOM 1136 C THR A 737 8.437 17.294 17.551 1.00 33.78 C ATOM 1137 O THR A 737 8.301 16.636 18.585 1.00 31.22 O ATOM 1138 CB THR A 737 8.793 19.746 17.235 1.00 43.05 C ATOM 1139 OG1 THR A 737 9.602 19.784 18.415 1.00 47.44 O ATOM 1140 CG2 THR A 737 8.137 21.107 17.036 1.00 40.40 C ATOM 1141 HG1 THR A 737 9.029 19.971 19.201 1.00 0.00 H ATOM 1142 H THR A 737 7.223 18.939 19.456 1.00 0.00 H ATOM 1143 N ILE A 738 9.183 16.893 16.526 1.00 32.08 N ATOM 1144 CA ILE A 738 10.007 15.687 16.577 1.00 26.34 C ATOM 1145 C ILE A 738 11.340 15.992 15.886 1.00 30.42 C ATOM 1146 O ILE A 738 11.382 16.741 14.907 1.00 33.65 O ATOM 1147 CB ILE A 738 9.296 14.475 15.915 1.00 26.96 C ATOM 1148 CG1 ILE A 738 10.164 13.214 15.992 1.00 23.69 C ATOM 1149 CG2 ILE A 738 8.925 14.786 14.480 1.00 31.93 C ATOM 1150 CD1 ILE A 738 9.426 11.947 15.618 1.00 29.12 C ATOM 1151 H ILE A 738 9.180 17.460 15.654 1.00 0.00 H ATOM 1152 N SER A 739 12.429 15.436 16.408 1.00 30.45 N ATOM 1153 CA SER A 739 13.745 15.714 15.846 1.00 27.26 C ATOM 1154 C SER A 739 14.020 14.767 14.686 1.00 25.81 C ATOM 1155 O SER A 739 13.380 13.718 14.573 1.00 25.47 O ATOM 1156 CB SER A 739 14.835 15.562 16.907 1.00 37.01 C ATOM 1157 OG SER A 739 14.989 14.203 17.297 1.00 32.27 O ATOM 1158 HG SER A 739 15.700 14.136 17.983 1.00 0.00 H ATOM 1159 H SER A 739 12.341 14.797 17.224 1.00 0.00 H ATOM 1160 N TYR A 740 14.966 15.140 13.828 1.00 28.49 N ATOM 1161 CA TYR A 740 15.427 14.231 12.784 1.00 30.54 C ATOM 1162 C TYR A 740 15.964 12.909 13.360 1.00 31.10 C ATOM 1163 O TYR A 740 15.551 11.842 12.896 1.00 24.16 O ATOM 1164 CB TYR A 740 16.427 14.907 11.834 1.00 22.68 C ATOM 1165 CG TYR A 740 16.996 13.970 10.791 1.00 23.11 C ATOM 1166 CD1 TYR A 740 16.212 13.519 9.736 1.00 24.59 C ATOM 1167 CD2 TYR A 740 18.317 13.528 10.864 1.00 27.40 C ATOM 1168 CE1 TYR A 740 16.722 12.657 8.776 1.00 26.90 C ATOM 1169 CE2 TYR A 740 18.837 12.665 9.901 1.00 23.47 C ATOM 1170 CZ TYR A 740 18.030 12.230 8.870 1.00 29.77 C ATOM 1171 OH TYR A 740 18.546 11.376 7.927 1.00 29.70 O ATOM 1172 HH TYR A 740 19.312 11.810 7.474 1.00 0.00 H ATOM 1173 H TYR A 740 15.382 16.090 13.902 1.00 0.00 H ATOM 1174 N PRO A 741 16.850 12.967 14.387 1.00 30.66 N ATOM 1175 CA PRO A 741 17.334 11.716 14.988 1.00 27.77 C ATOM 1176 C PRO A 741 16.195 10.839 15.513 1.00 32.92 C ATOM 1177 O PRO A 741 16.258 9.607 15.390 1.00 22.73 O ATOM 1178 CB PRO A 741 18.201 12.197 16.155 1.00 35.67 C ATOM 1179 CG PRO A 741 18.684 13.523 15.718 1.00 32.30 C ATOM 1180 CD PRO A 741 17.526 14.137 14.983 1.00 22.27 C ATOM 1181 N MET A 742 15.169 11.466 16.082 1.00 24.42 N ATOM 1182 CA MET A 742 14.014 10.712 16.556 1.00 22.74 C ATOM 1183 C MET A 742 13.237 10.069 15.406 1.00 22.02 C ATOM 1184 O MET A 742 12.754 8.949 15.547 1.00 21.58 O ATOM 1185 CB MET A 742 13.093 11.562 17.435 1.00 36.51 C ATOM 1186 CG MET A 742 12.035 10.739 18.152 1.00 34.42 C ATOM 1187 SD MET A 742 12.724 9.645 19.421 1.00 36.37 S ATOM 1188 CE MET A 742 13.161 10.849 20.678 1.00 32.79 C ATOM 1189 H MET A 742 15.191 12.500 16.190 1.00 0.00 H ATOM 1190 N LEU A 743 13.119 10.770 14.277 1.00 19.54 N ATOM 1191 CA LEU A 743 12.506 10.182 13.096 1.00 19.26 C ATOM 1192 C LEU A 743 13.270 8.920 12.687 1.00 21.12 C ATOM 1193 O LEU A 743 12.664 7.888 12.369 1.00 19.76 O ATOM 1194 CB LEU A 743 12.454 11.182 11.933 1.00 22.10 C ATOM 1195 CG LEU A 743 11.444 12.329 12.031 1.00 17.40 C ATOM 1196 CD1 LEU A 743 11.763 13.389 10.957 1.00 25.43 C ATOM 1197 CD2 LEU A 743 10.023 11.842 11.864 1.00 19.68 C ATOM 1198 H LEU A 743 13.469 11.749 14.241 1.00 0.00 H ATOM 1199 N LEU A 744 14.600 8.984 12.741 1.00 19.82 N ATOM 1200 CA LEU A 744 15.417 7.829 12.368 1.00 21.32 C ATOM 1201 C LEU A 744 15.235 6.664 13.333 1.00 17.48 C ATOM 1202 O LEU A 744 15.179 5.510 12.909 1.00 22.18 O ATOM 1203 CB LEU A 744 16.899 8.201 12.248 1.00 22.40 C ATOM 1204 CG LEU A 744 17.260 9.107 11.071 1.00 21.91 C ATOM 1205 CD1 LEU A 744 18.759 9.252 10.970 1.00 30.01 C ATOM 1206 CD2 LEU A 744 16.698 8.526 9.805 1.00 29.59 C ATOM 1207 H LEU A 744 15.061 9.863 13.051 1.00 0.00 H ATOM 1208 N HIS A 745 15.110 6.985 14.617 1.00 17.61 N ATOM 1209 CA HIS A 745 14.853 5.997 15.659 1.00 19.62 C ATOM 1210 C HIS A 745 13.498 5.321 15.452 1.00 23.56 C ATOM 1211 O HIS A 745 13.365 4.114 15.634 1.00 20.90 O ATOM 1212 CB HIS A 745 14.911 6.663 17.033 1.00 21.18 C ATOM 1213 CG HIS A 745 14.591 5.738 18.167 1.00 28.96 C ATOM 1214 ND1 HIS A 745 15.335 4.612 18.440 1.00 33.65 N ATOM 1215 CD2 HIS A 745 13.607 5.776 19.096 1.00 29.81 C ATOM 1216 CE1 HIS A 745 14.824 3.994 19.492 1.00 30.59 C ATOM 1217 NE2 HIS A 745 13.775 4.679 19.910 1.00 27.18 N ATOM 1218 H HIS A 745 15.199 7.984 14.891 1.00 0.00 H ATOM 1219 N VAL A 746 12.491 6.100 15.079 1.00 20.87 N ATOM 1220 CA VAL A 746 11.209 5.521 14.697 1.00 15.40 C ATOM 1221 C VAL A 746 11.398 4.530 13.544 1.00 20.21 C ATOM 1222 O VAL A 746 10.932 3.397 13.589 1.00 16.13 O ATOM 1223 CB VAL A 746 10.189 6.617 14.295 1.00 16.69 C ATOM 1224 CG1 VAL A 746 8.935 5.993 13.679 1.00 17.65 C ATOM 1225 CG2 VAL A 746 9.817 7.451 15.524 1.00 19.07 C ATOM 1226 H VAL A 746 12.617 7.132 15.059 1.00 0.00 H ATOM 1227 N ALA A 747 12.071 4.971 12.491 1.00 20.16 N ATOM 1228 CA ALA A 747 12.295 4.102 11.342 1.00 18.42 C ATOM 1229 C ALA A 747 13.127 2.862 11.659 1.00 18.28 C ATOM 1230 O ALA A 747 12.840 1.771 11.150 1.00 17.15 O ATOM 1231 CB ALA A 747 12.940 4.874 10.217 1.00 16.42 C ATOM 1232 H ALA A 747 12.442 5.943 12.484 1.00 0.00 H ATOM 1233 N ALA A 748 14.167 3.034 12.471 1.00 18.36 N ATOM 1234 CA ALA A 748 15.037 1.923 12.873 1.00 16.70 C ATOM 1235 C ALA A 748 14.271 0.834 13.628 1.00 19.37 C ATOM 1236 O ALA A 748 14.542 -0.356 13.466 1.00 22.24 O ATOM 1237 CB ALA A 748 16.182 2.437 13.727 1.00 19.53 C ATOM 1238 H ALA A 748 14.370 3.988 12.833 1.00 0.00 H ATOM 1239 N GLN A 749 13.314 1.237 14.457 1.00 18.37 N ATOM 1240 CA GLN A 749 12.525 0.261 15.199 1.00 20.14 C ATOM 1241 C GLN A 749 11.632 -0.538 14.261 1.00 18.49 C ATOM 1242 O GLN A 749 11.466 -1.742 14.430 1.00 17.47 O ATOM 1243 CB GLN A 749 11.651 0.941 16.238 1.00 19.50 C ATOM 1244 CG GLN A 749 12.402 1.573 17.380 1.00 17.69 C ATOM 1245 CD GLN A 749 11.446 2.335 18.250 1.00 21.29 C ATOM 1246 OE1 GLN A 749 10.778 1.751 19.096 1.00 24.60 O ATOM 1247 NE2 GLN A 749 11.317 3.635 18.000 1.00 19.43 N ATOM 1248 HE22 GLN A 749 11.907 4.086 17.272 1.00 0.00 H ATOM 1249 HE21 GLN A 749 10.626 4.201 18.533 1.00 0.00 H ATOM 1250 H GLN A 749 13.127 2.253 14.577 1.00 0.00 H ATOM 1251 N ILE A 750 11.032 0.143 13.299 1.00 13.76 N ATOM 1252 CA ILE A 750 10.271 -0.538 12.268 1.00 16.53 C ATOM 1253 C ILE A 750 11.157 -1.563 11.530 1.00 17.83 C ATOM 1254 O ILE A 750 10.775 -2.724 11.353 1.00 17.23 O ATOM 1255 CB ILE A 750 9.623 0.460 11.282 1.00 13.79 C ATOM 1256 CG1 ILE A 750 8.619 1.365 11.990 1.00 17.20 C ATOM 1257 CG2 ILE A 750 8.925 -0.306 10.171 1.00 17.42 C ATOM 1258 CD1 ILE A 750 8.032 2.430 11.072 1.00 17.77 C ATOM 1259 H ILE A 750 11.107 1.180 13.281 1.00 0.00 H ATOM 1260 N ALA A 751 12.366 -1.150 11.163 1.00 15.40 N ATOM 1261 CA ALA A 751 13.290 -2.067 10.486 1.00 17.50 C ATOM 1262 C ALA A 751 13.708 -3.256 11.366 1.00 18.21 C ATOM 1263 O ALA A 751 13.900 -4.386 10.866 1.00 19.89 O ATOM 1264 CB ALA A 751 14.519 -1.308 9.987 1.00 15.70 C ATOM 1265 H ALA A 751 12.659 -0.171 11.357 1.00 0.00 H ATOM 1266 N SER A 752 13.844 -3.017 12.667 1.00 17.16 N ATOM 1267 CA SER A 752 14.207 -4.066 13.615 1.00 18.39 C ATOM 1268 C SER A 752 13.095 -5.094 13.726 1.00 18.41 C ATOM 1269 O SER A 752 13.359 -6.290 13.799 1.00 21.36 O ATOM 1270 CB SER A 752 14.501 -3.472 15.000 1.00 18.65 C ATOM 1271 OG SER A 752 15.017 -4.462 15.888 1.00 23.63 O ATOM 1272 HG SER A 752 14.354 -5.190 15.991 1.00 0.00 H ATOM 1273 H SER A 752 13.687 -2.052 13.020 1.00 0.00 H ATOM 1274 N GLY A 753 11.854 -4.623 13.738 1.00 18.77 N ATOM 1275 CA GLY A 753 10.708 -5.509 13.747 1.00 17.84 C ATOM 1276 C GLY A 753 10.633 -6.329 12.478 1.00 17.04 C ATOM 1277 O GLY A 753 10.363 -7.520 12.528 1.00 17.02 O ATOM 1278 H GLY A 753 11.701 -3.594 13.741 1.00 0.00 H ATOM 1279 N MET A 754 10.846 -5.690 11.327 1.00 14.52 N ATOM 1280 CA MET A 754 10.822 -6.428 10.082 1.00 16.90 C ATOM 1281 C MET A 754 11.980 -7.413 9.957 1.00 19.22 C ATOM 1282 O MET A 754 11.814 -8.483 9.372 1.00 18.53 O ATOM 1283 CB MET A 754 10.802 -5.475 8.896 1.00 13.96 C ATOM 1284 CG MET A 754 9.548 -4.619 8.837 1.00 13.74 C ATOM 1285 SD MET A 754 8.000 -5.542 8.694 1.00 16.01 S ATOM 1286 CE MET A 754 8.223 -6.403 7.158 1.00 18.24 C ATOM 1287 H MET A 754 11.029 -4.666 11.324 1.00 0.00 H ATOM 1288 N ARG A 755 13.130 -7.053 10.518 1.00 15.70 N ATOM 1289 CA ARG A 755 14.288 -7.943 10.572 1.00 20.07 C ATOM 1290 C ARG A 755 13.888 -9.238 11.271 1.00 18.90 C ATOM 1291 O ARG A 755 14.178 -10.341 10.803 1.00 20.75 O ATOM 1292 CB ARG A 755 15.422 -7.266 11.345 1.00 20.04 C ATOM 1293 CG ARG A 755 16.761 -7.976 11.271 1.00 30.19 C ATOM 1294 CD ARG A 755 17.764 -7.316 12.202 1.00 29.47 C ATOM 1295 NE ARG A 755 17.398 -7.523 13.599 1.00 30.73 N ATOM 1296 CZ ARG A 755 17.744 -6.715 14.595 1.00 41.80 C ATOM 1297 NH1 ARG A 755 18.469 -5.633 14.356 1.00 45.90 N ATOM 1298 NH2 ARG A 755 17.364 -6.992 15.835 1.00 45.41 N ATOM 1299 HE ARG A 755 16.827 -8.361 13.831 1.00 0.00 H ATOM 1300 HH12 ARG A 755 18.737 -5.003 15.139 1.00 0.00 H ATOM 1301 HH11 ARG A 755 18.770 -5.413 13.385 1.00 0.00 H ATOM 1302 HH22 ARG A 755 17.635 -6.360 16.615 1.00 0.00 H ATOM 1303 HH21 ARG A 755 16.795 -7.841 16.027 1.00 0.00 H ATOM 1304 H ARG A 755 13.209 -6.103 10.934 1.00 0.00 H ATOM 1305 N TYR A 756 13.214 -9.089 12.403 1.00 16.21 N ATOM 1306 CA TYR A 756 12.685 -10.232 13.130 1.00 16.89 C ATOM 1307 C TYR A 756 11.743 -11.088 12.250 1.00 17.65 C ATOM 1308 O TYR A 756 11.902 -12.304 12.151 1.00 21.56 O ATOM 1309 CB TYR A 756 11.984 -9.762 14.400 1.00 18.32 C ATOM 1310 CG TYR A 756 11.307 -10.889 15.125 1.00 21.45 C ATOM 1311 CD1 TYR A 756 12.032 -11.747 15.940 1.00 23.98 C ATOM 1312 CD2 TYR A 756 9.943 -11.118 14.964 1.00 22.47 C ATOM 1313 CE1 TYR A 756 11.405 -12.802 16.601 1.00 26.44 C ATOM 1314 CE2 TYR A 756 9.316 -12.159 15.602 1.00 25.68 C ATOM 1315 CZ TYR A 756 10.046 -13.000 16.419 1.00 26.30 C ATOM 1316 OH TYR A 756 9.407 -14.036 17.053 1.00 29.15 O ATOM 1317 HH TYR A 756 10.061 -14.542 17.597 1.00 0.00 H ATOM 1318 H TYR A 756 13.060 -8.132 12.780 1.00 0.00 H ATOM 1319 N LEU A 757 10.760 -10.447 11.621 1.00 20.96 N ATOM 1320 CA LEU A 757 9.803 -11.155 10.767 1.00 18.79 C ATOM 1321 C LEU A 757 10.495 -11.926 9.639 1.00 21.75 C ATOM 1322 O LEU A 757 10.150 -13.081 9.353 1.00 18.97 O ATOM 1323 CB LEU A 757 8.726 -10.187 10.241 1.00 20.37 C ATOM 1324 CG LEU A 757 7.826 -9.548 11.313 1.00 16.27 C ATOM 1325 CD1 LEU A 757 6.741 -8.711 10.675 1.00 17.44 C ATOM 1326 CD2 LEU A 757 7.201 -10.588 12.276 1.00 19.59 C ATOM 1327 H LEU A 757 10.669 -9.418 11.739 1.00 0.00 H ATOM 1328 N ALA A 758 11.510 -11.305 9.039 1.00 19.71 N ATOM 1329 CA ALA A 758 12.310 -11.955 8.000 1.00 23.78 C ATOM 1330 C ALA A 758 12.956 -13.242 8.500 1.00 24.10 C ATOM 1331 O ALA A 758 12.992 -14.235 7.768 1.00 21.39 O ATOM 1332 CB ALA A 758 13.370 -11.006 7.470 1.00 18.58 C ATOM 1333 H ALA A 758 11.740 -10.330 9.317 1.00 0.00 H ATOM 1334 N THR A 759 13.458 -13.247 9.737 1.00 24.29 N ATOM 1335 CA THR A 759 14.095 -14.459 10.262 1.00 20.92 C ATOM 1336 C THR A 759 13.101 -15.600 10.458 1.00 27.81 C ATOM 1337 O THR A 759 13.496 -16.759 10.537 1.00 26.25 O ATOM 1338 CB THR A 759 14.886 -14.238 11.589 1.00 27.21 C ATOM 1339 OG1 THR A 759 13.981 -14.093 12.692 1.00 30.40 O ATOM 1340 CG2 THR A 759 15.802 -13.034 11.502 1.00 24.59 C ATOM 1341 HG1 THR A 759 13.392 -13.313 12.534 1.00 0.00 H ATOM 1342 H THR A 759 13.397 -12.393 10.327 1.00 0.00 H ATOM 1343 N LEU A 760 11.814 -15.271 10.542 1.00 29.09 N ATOM 1344 CA LEU A 760 10.776 -16.296 10.669 1.00 26.71 C ATOM 1345 C LEU A 760 10.196 -16.653 9.305 1.00 27.91 C ATOM 1346 O LEU A 760 9.272 -17.455 9.215 1.00 28.65 O ATOM 1347 CB LEU A 760 9.645 -15.808 11.570 1.00 27.05 C ATOM 1348 CG LEU A 760 9.972 -15.448 13.013 1.00 30.28 C ATOM 1349 CD1 LEU A 760 8.692 -15.121 13.761 1.00 24.65 C ATOM 1350 CD2 LEU A 760 10.701 -16.606 13.666 1.00 30.49 C ATOM 1351 H LEU A 760 11.541 -14.268 10.517 1.00 0.00 H ATOM 1352 N ASN A 761 10.735 -16.042 8.252 1.00 24.55 N ATOM 1353 CA ASN A 761 10.149 -16.129 6.921 1.00 33.78 C ATOM 1354 C ASN A 761 8.666 -15.783 6.939 1.00 29.85 C ATOM 1355 O ASN A 761 7.851 -16.426 6.291 1.00 29.82 O ATOM 1356 CB ASN A 761 10.397 -17.499 6.297 1.00 35.33 C ATOM 1357 CG ASN A 761 11.873 -17.832 6.209 1.00 41.80 C ATOM 1358 OD1 ASN A 761 12.630 -17.169 5.496 1.00 45.55 O ATOM 1359 ND2 ASN A 761 12.292 -18.858 6.937 1.00 44.23 N ATOM 1360 HD22 ASN A 761 11.617 -19.389 7.524 1.00 0.00 H ATOM 1361 HD21 ASN A 761 13.295 -19.132 6.921 1.00 0.00 H ATOM 1362 H ASN A 761 11.603 -15.484 8.384 1.00 0.00 H ATOM 1363 N PHE A 762 8.332 -14.763 7.716 1.00 17.82 N ATOM 1364 CA PHE A 762 6.979 -14.250 7.814 1.00 19.16 C ATOM 1365 C PHE A 762 6.895 -12.997 6.952 1.00 23.34 C ATOM 1366 O PHE A 762 7.638 -12.034 7.157 1.00 19.61 O ATOM 1367 CB PHE A 762 6.634 -13.931 9.277 1.00 21.98 C ATOM 1368 CG PHE A 762 5.212 -13.502 9.491 1.00 26.36 C ATOM 1369 CD1 PHE A 762 4.833 -12.188 9.276 1.00 20.90 C ATOM 1370 CD2 PHE A 762 4.250 -14.415 9.905 1.00 28.09 C ATOM 1371 CE1 PHE A 762 3.532 -11.783 9.469 1.00 29.42 C ATOM 1372 CE2 PHE A 762 2.944 -14.021 10.094 1.00 29.28 C ATOM 1373 CZ PHE A 762 2.583 -12.698 9.877 1.00 31.25 C ATOM 1374 H PHE A 762 9.076 -14.308 8.283 1.00 0.00 H ATOM 1375 N VAL A 763 5.986 -13.014 5.985 1.00 17.71 N ATOM 1376 CA VAL A 763 5.792 -11.885 5.089 1.00 16.19 C ATOM 1377 C VAL A 763 4.583 -11.088 5.583 1.00 18.61 C ATOM 1378 O VAL A 763 3.500 -11.641 5.716 1.00 19.01 O ATOM 1379 CB VAL A 763 5.569 -12.380 3.649 1.00 16.93 C ATOM 1380 CG1 VAL A 763 5.434 -11.210 2.642 1.00 16.70 C ATOM 1381 CG2 VAL A 763 6.711 -13.296 3.211 1.00 18.78 C ATOM 1382 H VAL A 763 5.394 -13.861 5.864 1.00 0.00 H ATOM 1383 N HIS A 764 4.782 -9.798 5.855 1.00 14.99 N ATOM 1384 CA HIS A 764 3.745 -8.926 6.438 1.00 14.13 C ATOM 1385 C HIS A 764 2.630 -8.590 5.441 1.00 16.67 C ATOM 1386 O HIS A 764 1.452 -8.731 5.758 1.00 18.86 O ATOM 1387 CB HIS A 764 4.368 -7.629 6.966 1.00 16.50 C ATOM 1388 CG HIS A 764 3.416 -6.785 7.747 1.00 15.02 C ATOM 1389 ND1 HIS A 764 2.372 -6.104 7.151 1.00 14.67 N ATOM 1390 CD2 HIS A 764 3.318 -6.538 9.078 1.00 13.59 C ATOM 1391 CE1 HIS A 764 1.678 -5.473 8.084 1.00 15.14 C ATOM 1392 NE2 HIS A 764 2.229 -5.724 9.256 1.00 15.20 N ATOM 1393 H HIS A 764 5.714 -9.386 5.646 1.00 0.00 H ATOM 1394 N ARG A 765 3.028 -8.138 4.251 1.00 16.41 N ATOM 1395 CA ARG A 765 2.122 -7.862 3.110 1.00 16.75 C ATOM 1396 C ARG A 765 1.433 -6.501 3.140 1.00 13.61 C ATOM 1397 O ARG A 765 0.888 -6.070 2.118 1.00 16.30 O ATOM 1398 CB ARG A 765 1.055 -8.956 2.876 1.00 17.39 C ATOM 1399 CG ARG A 765 1.571 -10.383 2.815 1.00 20.57 C ATOM 1400 CD ARG A 765 0.429 -11.385 2.903 1.00 18.79 C ATOM 1401 NE ARG A 765 -0.502 -11.242 1.787 1.00 32.34 N ATOM 1402 CZ ARG A 765 -0.399 -11.902 0.642 1.00 30.99 C ATOM 1403 NH1 ARG A 765 -1.292 -11.706 -0.323 1.00 28.71 N ATOM 1404 NH2 ARG A 765 0.589 -12.765 0.460 1.00 27.20 N ATOM 1405 HE ARG A 765 -1.297 -10.580 1.898 1.00 0.00 H ATOM 1406 HH12 ARG A 765 -1.210 -12.225 -1.221 1.00 0.00 H ATOM 1407 HH11 ARG A 765 -2.073 -11.034 -0.180 1.00 0.00 H ATOM 1408 HH22 ARG A 765 0.669 -13.282 -0.439 1.00 0.00 H ATOM 1409 HH21 ARG A 765 1.285 -12.925 1.216 1.00 0.00 H ATOM 1410 H ARG A 765 4.045 -7.967 4.114 1.00 0.00 H ATOM 1411 N ASP A 766 1.436 -5.812 4.288 1.00 13.03 N ATOM 1412 CA ASP A 766 0.782 -4.507 4.380 1.00 12.05 C ATOM 1413 C ASP A 766 1.526 -3.561 5.312 1.00 12.71 C ATOM 1414 O ASP A 766 0.933 -2.869 6.140 1.00 16.11 O ATOM 1415 CB ASP A 766 -0.681 -4.677 4.795 1.00 15.70 C ATOM 1416 CG ASP A 766 -1.523 -3.435 4.554 1.00 15.59 C ATOM 1417 OD1 ASP A 766 -1.064 -2.490 3.873 1.00 13.30 O ATOM 1418 OD2 ASP A 766 -2.666 -3.415 5.069 1.00 19.64 O ATOM 1419 H ASP A 766 1.909 -6.210 5.124 1.00 0.00 H ATOM 1420 N LEU A 767 2.845 -3.511 5.175 1.00 12.49 N ATOM 1421 CA LEU A 767 3.619 -2.571 5.966 1.00 14.28 C ATOM 1422 C LEU A 767 3.356 -1.142 5.501 1.00 14.20 C ATOM 1423 O LEU A 767 3.428 -0.823 4.290 1.00 13.97 O ATOM 1424 CB LEU A 767 5.117 -2.845 5.880 1.00 11.88 C ATOM 1425 CG LEU A 767 6.001 -1.972 6.807 1.00 12.22 C ATOM 1426 CD1 LEU A 767 5.653 -2.120 8.293 1.00 15.54 C ATOM 1427 CD2 LEU A 767 7.494 -2.218 6.559 1.00 16.18 C ATOM 1428 H LEU A 767 3.323 -4.144 4.502 1.00 0.00 H ATOM 1429 N ALA A 768 3.036 -0.288 6.473 1.00 12.71 N ATOM 1430 CA ALA A 768 2.781 1.130 6.265 1.00 9.89 C ATOM 1431 C ALA A 768 2.695 1.765 7.637 1.00 11.74 C ATOM 1432 O ALA A 768 2.485 1.050 8.643 1.00 15.32 O ATOM 1433 CB ALA A 768 1.450 1.333 5.500 1.00 13.46 C ATOM 1434 H ALA A 768 2.964 -0.658 7.442 1.00 0.00 H ATOM 1435 N THR A 769 2.786 3.097 7.720 1.00 11.93 N ATOM 1436 CA THR A 769 2.694 3.749 9.036 1.00 12.86 C ATOM 1437 C THR A 769 1.327 3.560 9.730 1.00 13.91 C ATOM 1438 O THR A 769 1.280 3.487 10.962 1.00 16.03 O ATOM 1439 CB THR A 769 3.043 5.250 9.005 1.00 18.66 C ATOM 1440 OG1 THR A 769 2.125 5.946 8.158 1.00 14.64 O ATOM 1441 CG2 THR A 769 4.525 5.478 8.573 1.00 13.09 C ATOM 1442 HG1 THR A 769 2.181 5.578 7.240 1.00 0.00 H ATOM 1443 H THR A 769 2.921 3.667 6.861 1.00 0.00 H ATOM 1444 N ARG A 770 0.246 3.474 8.957 1.00 14.38 N ATOM 1445 CA ARG A 770 -1.083 3.186 9.511 1.00 13.62 C ATOM 1446 C ARG A 770 -1.140 1.865 10.263 1.00 17.15 C ATOM 1447 O ARG A 770 -2.021 1.682 11.090 1.00 16.27 O ATOM 1448 CB ARG A 770 -2.175 3.202 8.435 1.00 13.98 C ATOM 1449 CG ARG A 770 -1.961 2.154 7.342 1.00 14.16 C ATOM 1450 CD ARG A 770 -3.062 2.116 6.269 1.00 14.91 C ATOM 1451 NE ARG A 770 -2.671 1.110 5.266 1.00 17.64 N ATOM 1452 CZ ARG A 770 -1.843 1.340 4.252 1.00 15.96 C ATOM 1453 NH1 ARG A 770 -1.367 2.555 4.028 1.00 16.90 N ATOM 1454 NH2 ARG A 770 -1.495 0.351 3.434 1.00 18.76 N ATOM 1455 HE ARG A 770 -3.070 0.154 5.358 1.00 0.00 H ATOM 1456 HH12 ARG A 770 -0.720 2.721 3.231 1.00 0.00 H ATOM 1457 HH11 ARG A 770 -1.640 3.343 4.649 1.00 0.00 H ATOM 1458 HH22 ARG A 770 -0.847 0.535 2.642 1.00 0.00 H ATOM 1459 HH21 ARG A 770 -1.871 -0.607 3.586 1.00 0.00 H ATOM 1460 H ARG A 770 0.346 3.615 7.931 1.00 0.00 H ATOM 1461 N ASN A 771 -0.206 0.961 9.976 1.00 13.90 N ATOM 1462 CA ASN A 771 -0.179 -0.338 10.637 1.00 16.53 C ATOM 1463 C ASN A 771 0.807 -0.445 11.792 1.00 15.95 C ATOM 1464 O ASN A 771 1.000 -1.516 12.346 1.00 19.43 O ATOM 1465 CB ASN A 771 0.026 -1.447 9.606 1.00 11.12 C ATOM 1466 CG ASN A 771 -1.283 -1.899 9.022 1.00 12.18 C ATOM 1467 OD1 ASN A 771 -2.328 -1.824 9.706 1.00 16.49 O ATOM 1468 ND2 ASN A 771 -1.259 -2.404 7.801 1.00 15.76 N ATOM 1469 HD22 ASN A 771 -0.364 -2.444 7.272 1.00 0.00 H ATOM 1470 HD21 ASN A 771 -2.135 -2.761 7.369 1.00 0.00 H ATOM 1471 H ASN A 771 0.519 1.186 9.266 1.00 0.00 H ATOM 1472 N CYS A 772 1.376 0.683 12.189 1.00 15.20 N ATOM 1473 CA CYS A 772 2.313 0.697 13.312 1.00 16.36 C ATOM 1474 C CYS A 772 1.664 1.421 14.477 1.00 20.23 C ATOM 1475 O CYS A 772 0.909 2.392 14.291 1.00 17.03 O ATOM 1476 CB CYS A 772 3.618 1.406 12.937 1.00 17.16 C ATOM 1477 SG CYS A 772 4.592 0.624 11.650 1.00 17.47 S ATOM 1478 H CYS A 772 1.154 1.571 11.696 1.00 0.00 H ATOM 1479 N LEU A 773 1.950 0.941 15.681 1.00 19.76 N ATOM 1480 CA LEU A 773 1.438 1.591 16.881 1.00 22.29 C ATOM 1481 C LEU A 773 2.555 2.258 17.652 1.00 22.31 C ATOM 1482 O LEU A 773 3.707 1.845 17.559 1.00 18.02 O ATOM 1483 CB LEU A 773 0.737 0.588 17.772 1.00 20.72 C ATOM 1484 CG LEU A 773 -0.537 -0.046 17.230 1.00 25.27 C ATOM 1485 CD1 LEU A 773 -1.061 -1.037 18.243 1.00 25.23 C ATOM 1486 CD2 LEU A 773 -1.577 1.013 16.918 1.00 31.21 C ATOM 1487 H LEU A 773 2.545 0.093 15.769 1.00 0.00 H ATOM 1488 N VAL A 774 2.206 3.278 18.428 1.00 21.88 N ATOM 1489 CA VAL A 774 3.205 4.079 19.121 1.00 16.70 C ATOM 1490 C VAL A 774 2.903 4.095 20.618 1.00 22.84 C ATOM 1491 O VAL A 774 1.780 4.390 21.024 1.00 21.87 O ATOM 1492 CB VAL A 774 3.209 5.532 18.610 1.00 20.38 C ATOM 1493 CG1 VAL A 774 4.368 6.308 19.235 1.00 21.51 C ATOM 1494 CG2 VAL A 774 3.245 5.575 17.082 1.00 25.06 C ATOM 1495 H VAL A 774 1.199 3.509 18.543 1.00 0.00 H ATOM 1496 N GLY A 775 3.909 3.806 21.437 1.00 20.05 N ATOM 1497 CA GLY A 775 3.737 3.898 22.882 1.00 23.03 C ATOM 1498 C GLY A 775 4.424 5.119 23.457 1.00 25.05 C ATOM 1499 O GLY A 775 4.400 6.198 22.860 1.00 27.55 O ATOM 1500 H GLY A 775 4.826 3.512 21.044 1.00 0.00 H ATOM 1501 N GLU A 776 5.032 4.948 24.630 1.00 31.90 N ATOM 1502 CA GLU A 776 5.737 6.032 25.308 1.00 40.92 C ATOM 1503 C GLU A 776 7.141 6.186 24.742 1.00 32.79 C ATOM 1504 O GLU A 776 7.742 5.209 24.291 1.00 33.71 O ATOM 1505 CB GLU A 776 5.826 5.749 26.810 1.00 52.38 C ATOM 1506 CG GLU A 776 4.592 5.075 27.393 1.00 59.68 C ATOM 1507 CD GLU A 776 4.802 4.614 28.825 1.00 66.60 C ATOM 1508 OE1 GLU A 776 5.434 5.360 29.602 1.00 57.94 O ATOM 1509 OE2 GLU A 776 4.344 3.503 29.171 1.00 69.54 O ATOM 1510 H GLU A 776 5.003 4.010 25.078 1.00 0.00 H ATOM 1511 N ASN A 777 7.654 7.413 24.759 1.00 36.06 N ATOM 1512 CA ASN A 777 9.021 7.687 24.322 1.00 32.54 C ATOM 1513 C ASN A 777 9.321 7.196 22.906 1.00 32.34 C ATOM 1514 O ASN A 777 10.413 6.686 22.638 1.00 35.94 O ATOM 1515 CB ASN A 777 10.021 7.066 25.292 1.00 29.12 C ATOM 1516 CG ASN A 777 9.805 7.519 26.717 1.00 41.46 C ATOM 1517 OD1 ASN A 777 9.564 8.697 26.977 1.00 46.47 O ATOM 1518 ND2 ASN A 777 9.879 6.578 27.651 1.00 48.70 N ATOM 1519 HD22 ASN A 777 10.085 5.595 27.383 1.00 0.00 H ATOM 1520 HD21 ASN A 777 9.730 6.824 28.650 1.00 0.00 H ATOM 1521 H ASN A 777 7.064 8.201 25.094 1.00 0.00 H ATOM 1522 N PHE A 778 8.339 7.341 22.021 1.00 24.04 N ATOM 1523 CA PHE A 778 8.484 7.013 20.608 1.00 29.98 C ATOM 1524 C PHE A 778 8.775 5.538 20.313 1.00 29.43 C ATOM 1525 O PHE A 778 9.326 5.212 19.257 1.00 29.01 O ATOM 1526 CB PHE A 778 9.538 7.913 19.965 1.00 33.41 C ATOM 1527 CG PHE A 778 9.226 9.377 20.076 1.00 31.31 C ATOM 1528 CD1 PHE A 778 9.693 10.121 21.153 1.00 35.81 C ATOM 1529 CD2 PHE A 778 8.458 10.012 19.112 1.00 28.84 C ATOM 1530 CE1 PHE A 778 9.410 11.466 21.259 1.00 35.65 C ATOM 1531 CE2 PHE A 778 8.167 11.362 19.216 1.00 33.07 C ATOM 1532 CZ PHE A 778 8.645 12.091 20.286 1.00 33.66 C ATOM 1533 H PHE A 778 7.423 7.706 22.353 1.00 0.00 H ATOM 1534 N THR A 779 8.393 4.645 21.223 1.00 23.55 N ATOM 1535 CA THR A 779 8.527 3.217 20.960 1.00 23.90 C ATOM 1536 C THR A 779 7.457 2.795 19.952 1.00 23.37 C ATOM 1537 O THR A 779 6.315 3.277 19.986 1.00 22.64 O ATOM 1538 CB THR A 779 8.450 2.367 22.243 1.00 24.83 C ATOM 1539 OG1 THR A 779 7.150 2.499 22.824 1.00 30.21 O ATOM 1540 CG2 THR A 779 9.502 2.832 23.250 1.00 22.47 C ATOM 1541 HG1 THR A 779 6.984 3.449 23.046 1.00 0.00 H ATOM 1542 H THR A 779 7.996 4.968 22.128 1.00 0.00 H ATOM 1543 N ILE A 780 7.843 1.913 19.040 1.00 20.74 N ATOM 1544 CA ILE A 780 6.999 1.543 17.923 1.00 24.17 C ATOM 1545 C ILE A 780 6.813 0.039 17.918 1.00 21.46 C ATOM 1546 O ILE A 780 7.769 -0.705 18.147 1.00 20.90 O ATOM 1547 CB ILE A 780 7.694 1.917 16.586 1.00 18.56 C ATOM 1548 CG1 ILE A 780 8.060 3.406 16.575 1.00 21.80 C ATOM 1549 CG2 ILE A 780 6.812 1.566 15.390 1.00 25.18 C ATOM 1550 CD1 ILE A 780 6.846 4.295 16.600 1.00 23.11 C ATOM 1551 H ILE A 780 8.781 1.473 19.130 1.00 0.00 H ATOM 1552 N LYS A 781 5.591 -0.409 17.640 1.00 16.87 N ATOM 1553 CA LYS A 781 5.339 -1.820 17.356 1.00 19.97 C ATOM 1554 C LYS A 781 4.536 -1.990 16.065 1.00 19.73 C ATOM 1555 O LYS A 781 3.596 -1.237 15.801 1.00 20.36 O ATOM 1556 CB LYS A 781 4.629 -2.500 18.521 1.00 18.27 C ATOM 1557 CG LYS A 781 5.483 -2.583 19.776 1.00 18.97 C ATOM 1558 CD LYS A 781 4.860 -3.466 20.880 1.00 20.72 C ATOM 1559 CE LYS A 781 5.766 -3.478 22.112 1.00 28.08 C ATOM 1560 NZ LYS A 781 5.335 -4.415 23.199 1.00 30.37 N ATOM 1561 HZ1 LYS A 781 4.385 -4.149 23.527 1.00 0.00 H ATOM 1562 HZ2 LYS A 781 5.317 -5.387 22.830 1.00 0.00 H ATOM 1563 HZ3 LYS A 781 6.006 -4.357 23.992 1.00 0.00 H ATOM 1564 H LYS A 781 4.796 0.261 17.625 1.00 0.00 H ATOM 1565 N ILE A 782 4.927 -2.973 15.264 1.00 18.18 N ATOM 1566 CA ILE A 782 4.233 -3.276 14.014 1.00 20.44 C ATOM 1567 C ILE A 782 3.046 -4.189 14.272 1.00 18.84 C ATOM 1568 O ILE A 782 3.179 -5.195 14.968 1.00 19.25 O ATOM 1569 CB ILE A 782 5.182 -3.925 12.997 1.00 18.88 C ATOM 1570 CG1 ILE A 782 6.437 -3.067 12.809 1.00 18.22 C ATOM 1571 CG2 ILE A 782 4.498 -4.087 11.652 1.00 21.82 C ATOM 1572 CD1 ILE A 782 7.458 -3.729 11.864 1.00 20.41 C ATOM 1573 H ILE A 782 5.752 -3.545 15.534 1.00 0.00 H ATOM 1574 N ALA A 783 1.891 -3.802 13.730 1.00 16.42 N ATOM 1575 CA ALA A 783 0.620 -4.506 13.850 1.00 16.78 C ATOM 1576 C ALA A 783 0.099 -4.823 12.449 1.00 19.10 C ATOM 1577 O ALA A 783 0.837 -4.734 11.470 1.00 16.31 O ATOM 1578 CB ALA A 783 -0.404 -3.641 14.619 1.00 15.41 C ATOM 1579 H ALA A 783 1.897 -2.923 13.174 1.00 0.00 H ATOM 1580 N ASP A 784 -1.176 -5.166 12.334 1.00 16.59 N ATOM 1581 CA ASP A 784 -1.762 -5.406 11.009 1.00 16.45 C ATOM 1582 C ASP A 784 -3.278 -5.284 11.114 1.00 17.98 C ATOM 1583 O ASP A 784 -3.980 -6.263 11.369 1.00 19.82 O ATOM 1584 CB ASP A 784 -1.322 -6.758 10.407 1.00 14.39 C ATOM 1585 CG ASP A 784 -1.814 -6.939 8.973 1.00 22.21 C ATOM 1586 OD1 ASP A 784 -2.341 -5.966 8.393 1.00 32.50 O ATOM 1587 OD2 ASP A 784 -1.685 -8.051 8.439 1.00 31.59 O ATOM 1588 H ASP A 784 -1.764 -5.266 13.186 1.00 0.00 H ATOM 1589 N PHE A 785 -3.761 -4.045 10.964 1.00 16.66 N ATOM 1590 CA PHE A 785 -5.154 -3.730 11.200 1.00 17.66 C ATOM 1591 C PHE A 785 -6.138 -4.367 10.226 1.00 23.96 C ATOM 1592 O PHE A 785 -7.333 -4.449 10.507 1.00 26.68 O ATOM 1593 CB PHE A 785 -5.355 -2.215 11.167 1.00 20.06 C ATOM 1594 CG PHE A 785 -4.993 -1.513 12.438 1.00 19.54 C ATOM 1595 CD1 PHE A 785 -3.672 -1.187 12.720 1.00 19.82 C ATOM 1596 CD2 PHE A 785 -5.991 -1.088 13.314 1.00 19.96 C ATOM 1597 CE1 PHE A 785 -3.348 -0.485 13.879 1.00 20.49 C ATOM 1598 CE2 PHE A 785 -5.675 -0.396 14.460 1.00 23.52 C ATOM 1599 CZ PHE A 785 -4.356 -0.094 14.748 1.00 23.29 C ATOM 1600 H PHE A 785 -3.116 -3.285 10.669 1.00 0.00 H ATOM 1601 N GLY A 786 -5.662 -4.798 9.070 1.00 25.90 N ATOM 1602 CA GLY A 786 -6.593 -5.145 8.017 1.00 24.02 C ATOM 1603 C GLY A 786 -6.872 -3.908 7.189 1.00 32.25 C ATOM 1604 O GLY A 786 -6.326 -2.829 7.430 1.00 27.81 O ATOM 1605 H GLY A 786 -4.637 -4.886 8.920 1.00 0.00 H ATOM 1606 N MET A 787 -7.737 -4.047 6.202 1.00 31.35 N ATOM 1607 CA MET A 787 -7.813 -3.009 5.192 1.00 25.97 C ATOM 1608 C MET A 787 -9.113 -2.220 5.259 1.00 26.56 C ATOM 1609 O MET A 787 -9.412 -1.436 4.357 1.00 30.86 O ATOM 1610 CB MET A 787 -7.590 -3.643 3.822 1.00 22.00 C ATOM 1611 CG MET A 787 -6.478 -4.687 3.868 1.00 25.70 C ATOM 1612 SD MET A 787 -5.875 -5.177 2.250 1.00 32.15 S ATOM 1613 CE MET A 787 -5.976 -6.974 2.336 1.00 27.14 C ATOM 1614 H MET A 787 -8.352 -4.884 6.150 1.00 0.00 H ATOM 1615 N SER A 788 -9.847 -2.380 6.360 1.00 29.40 N ATOM 1616 CA SER A 788 -11.225 -1.896 6.430 1.00 27.95 C ATOM 1617 C SER A 788 -11.493 -0.566 7.154 1.00 35.67 C ATOM 1618 O SER A 788 -12.612 -0.056 7.095 1.00 33.48 O ATOM 1619 CB SER A 788 -12.139 -2.980 7.008 1.00 37.59 C ATOM 1620 OG SER A 788 -12.372 -4.007 6.059 1.00 43.21 O ATOM 1621 HG SER A 788 -12.804 -3.621 5.256 1.00 0.00 H ATOM 1622 H SER A 788 -9.432 -2.858 7.185 1.00 0.00 H ATOM 1623 N ARG A 789 -10.496 -0.006 7.833 1.00 21.85 N ATOM 1624 CA ARG A 789 -10.669 1.287 8.498 1.00 21.31 C ATOM 1625 C ARG A 789 -11.043 2.394 7.512 1.00 19.68 C ATOM 1626 O ARG A 789 -10.343 2.601 6.526 1.00 22.79 O ATOM 1627 CB ARG A 789 -9.393 1.681 9.252 1.00 23.28 C ATOM 1628 CG ARG A 789 -9.211 0.977 10.598 1.00 25.75 C ATOM 1629 CD ARG A 789 -7.890 1.374 11.242 1.00 28.79 C ATOM 1630 NE ARG A 789 -6.763 0.970 10.415 1.00 24.13 N ATOM 1631 CZ ARG A 789 -5.494 1.298 10.643 1.00 17.27 C ATOM 1632 NH1 ARG A 789 -5.176 2.056 11.689 1.00 25.37 N ATOM 1633 NH2 ARG A 789 -4.559 0.860 9.815 1.00 20.14 N ATOM 1634 HE ARG A 789 -6.965 0.380 9.583 1.00 0.00 H ATOM 1635 HH12 ARG A 789 -4.183 2.310 11.864 1.00 0.00 H ATOM 1636 HH11 ARG A 789 -5.920 2.394 12.332 1.00 0.00 H ATOM 1637 HH22 ARG A 789 -3.562 1.107 9.979 1.00 0.00 H ATOM 1638 HH21 ARG A 789 -4.821 0.269 9.001 1.00 0.00 H ATOM 1639 H ARG A 789 -9.579 -0.494 7.893 1.00 0.00 H ATOM 1640 N ASN A 790 -12.140 3.103 7.778 1.00 30.39 N ATOM 1641 CA ASN A 790 -12.544 4.246 6.953 1.00 29.20 C ATOM 1642 C ASN A 790 -11.425 5.251 6.737 1.00 23.77 C ATOM 1643 O ASN A 790 -11.242 5.762 5.638 1.00 21.54 O ATOM 1644 CB ASN A 790 -13.722 4.981 7.584 1.00 28.15 C ATOM 1645 CG ASN A 790 -15.016 4.208 7.481 1.00 33.44 C ATOM 1646 OD1 ASN A 790 -15.056 3.112 6.913 1.00 35.17 O ATOM 1647 ND2 ASN A 790 -16.084 4.766 8.047 1.00 35.33 N ATOM 1648 HD22 ASN A 790 -16.001 5.691 8.514 1.00 0.00 H ATOM 1649 HD21 ASN A 790 -17.001 4.276 8.022 1.00 0.00 H ATOM 1650 H ASN A 790 -12.727 2.838 8.595 1.00 0.00 H ATOM 1651 N LEU A 791 -10.691 5.542 7.802 1.00 22.74 N ATOM 1652 CA LEU A 791 -9.660 6.567 7.765 1.00 25.22 C ATOM 1653 C LEU A 791 -8.632 6.312 6.660 1.00 18.20 C ATOM 1654 O LEU A 791 -8.055 7.250 6.120 1.00 23.33 O ATOM 1655 CB LEU A 791 -8.959 6.641 9.125 1.00 26.21 C ATOM 1656 CG LEU A 791 -7.887 7.703 9.335 1.00 30.02 C ATOM 1657 CD1 LEU A 791 -8.454 9.081 9.047 1.00 36.72 C ATOM 1658 CD2 LEU A 791 -7.375 7.631 10.765 1.00 26.83 C ATOM 1659 H LEU A 791 -10.857 5.023 8.688 1.00 0.00 H ATOM 1660 N TYR A 792 -8.412 5.047 6.314 1.00 18.41 N ATOM 1661 CA TYR A 792 -7.368 4.683 5.360 1.00 18.72 C ATOM 1662 C TYR A 792 -7.917 4.028 4.089 1.00 19.23 C ATOM 1663 O TYR A 792 -7.179 3.399 3.320 1.00 17.15 O ATOM 1664 CB TYR A 792 -6.318 3.791 6.054 1.00 18.08 C ATOM 1665 CG TYR A 792 -5.664 4.505 7.229 1.00 18.41 C ATOM 1666 CD1 TYR A 792 -4.872 5.630 7.017 1.00 18.45 C ATOM 1667 CD2 TYR A 792 -5.876 4.084 8.543 1.00 19.99 C ATOM 1668 CE1 TYR A 792 -4.291 6.305 8.061 1.00 16.14 C ATOM 1669 CE2 TYR A 792 -5.301 4.761 9.610 1.00 21.78 C ATOM 1670 CZ TYR A 792 -4.513 5.871 9.365 1.00 18.82 C ATOM 1671 OH TYR A 792 -3.930 6.547 10.411 1.00 19.58 O ATOM 1672 HH TYR A 792 -3.331 5.933 10.906 1.00 0.00 H ATOM 1673 H TYR A 792 -8.999 4.298 6.734 1.00 0.00 H ATOM 1674 N ALA A 793 -9.215 4.206 3.855 1.00 18.57 N ATOM 1675 CA ALA A 793 -9.870 3.595 2.700 1.00 19.38 C ATOM 1676 C ALA A 793 -9.211 3.960 1.374 1.00 22.04 C ATOM 1677 O ALA A 793 -9.138 3.141 0.455 1.00 24.37 O ATOM 1678 CB ALA A 793 -11.351 3.959 2.684 1.00 17.77 C ATOM 1679 H ALA A 793 -9.775 4.792 4.507 1.00 0.00 H ATOM 1680 N GLY A 794 -8.695 5.178 1.292 1.00 18.59 N ATOM 1681 CA GLY A 794 -8.012 5.639 0.101 1.00 22.99 C ATOM 1682 C GLY A 794 -6.646 5.025 -0.161 1.00 24.58 C ATOM 1683 O GLY A 794 -6.086 5.247 -1.228 1.00 20.47 O ATOM 1684 H GLY A 794 -8.783 5.820 2.105 1.00 0.00 H ATOM 1685 N ASP A 795 -6.117 4.260 0.801 1.00 17.08 N ATOM 1686 CA ASP A 795 -4.830 3.570 0.664 1.00 16.05 C ATOM 1687 C ASP A 795 -5.009 2.173 0.059 1.00 17.93 C ATOM 1688 O ASP A 795 -4.035 1.437 -0.126 1.00 17.65 O ATOM 1689 CB ASP A 795 -4.160 3.389 2.036 1.00 13.59 C ATOM 1690 CG ASP A 795 -3.703 4.687 2.653 1.00 19.09 C ATOM 1691 OD1 ASP A 795 -3.646 5.720 1.944 1.00 17.97 O ATOM 1692 OD2 ASP A 795 -3.392 4.659 3.862 1.00 17.89 O ATOM 1693 H ASP A 795 -6.645 4.149 1.690 1.00 0.00 H ATOM 1694 N TYR A 796 -6.253 1.788 -0.196 1.00 20.54 N ATOM 1695 CA TYR A 796 -6.514 0.462 -0.720 1.00 17.28 C ATOM 1696 C TYR A 796 -7.304 0.510 -2.011 1.00 21.75 C ATOM 1697 O TYR A 796 -8.225 1.307 -2.168 1.00 27.10 O ATOM 1698 CB TYR A 796 -7.250 -0.381 0.310 1.00 18.25 C ATOM 1699 CG TYR A 796 -6.423 -0.660 1.535 1.00 17.01 C ATOM 1700 CD1 TYR A 796 -5.490 -1.687 1.551 1.00 22.34 C ATOM 1701 CD2 TYR A 796 -6.550 0.129 2.661 1.00 17.34 C ATOM 1702 CE1 TYR A 796 -4.714 -1.926 2.682 1.00 16.29 C ATOM 1703 CE2 TYR A 796 -5.793 -0.098 3.782 1.00 20.43 C ATOM 1704 CZ TYR A 796 -4.878 -1.127 3.790 1.00 13.77 C ATOM 1705 OH TYR A 796 -4.127 -1.343 4.912 1.00 16.35 O ATOM 1706 HH TYR A 796 -3.522 -2.112 4.760 1.00 0.00 H ATOM 1707 H TYR A 796 -7.044 2.440 -0.019 1.00 0.00 H ATOM 1708 N TYR A 797 -6.920 -0.346 -2.943 1.00 19.50 N ATOM 1709 CA TYR A 797 -7.530 -0.370 -4.258 1.00 22.14 C ATOM 1710 C TYR A 797 -8.459 -1.575 -4.311 1.00 26.95 C ATOM 1711 O TYR A 797 -8.025 -2.704 -4.085 1.00 25.71 O ATOM 1712 CB TYR A 797 -6.416 -0.476 -5.297 1.00 19.24 C ATOM 1713 CG TYR A 797 -6.872 -0.655 -6.730 1.00 18.87 C ATOM 1714 CD1 TYR A 797 -7.393 0.404 -7.454 1.00 24.05 C ATOM 1715 CD2 TYR A 797 -6.758 -1.893 -7.357 1.00 22.51 C ATOM 1716 CE1 TYR A 797 -7.804 0.238 -8.774 1.00 24.50 C ATOM 1717 CE2 TYR A 797 -7.142 -2.066 -8.666 1.00 20.65 C ATOM 1718 CZ TYR A 797 -7.678 -1.004 -9.374 1.00 23.70 C ATOM 1719 OH TYR A 797 -8.077 -1.178 -10.687 1.00 24.68 O ATOM 1720 HH TYR A 797 -7.301 -1.462 -11.232 1.00 0.00 H ATOM 1721 H TYR A 797 -6.159 -1.021 -2.727 1.00 0.00 H ATOM 1722 N ARG A 798 -9.733 -1.329 -4.597 1.00 23.14 N ATOM 1723 CA ARG A 798 -10.747 -2.377 -4.532 1.00 24.90 C ATOM 1724 C ARG A 798 -11.351 -2.706 -5.887 1.00 26.36 C ATOM 1725 O ARG A 798 -11.870 -1.823 -6.588 1.00 27.11 O ATOM 1726 CB ARG A 798 -11.855 -1.986 -3.553 1.00 29.39 C ATOM 1727 CG ARG A 798 -11.409 -1.971 -2.108 1.00 41.39 C ATOM 1728 CD ARG A 798 -12.439 -1.317 -1.204 1.00 51.33 C ATOM 1729 NE ARG A 798 -11.944 -1.199 0.168 1.00 57.97 N ATOM 1730 CZ ARG A 798 -11.307 -0.134 0.651 1.00 55.65 C ATOM 1731 NH1 ARG A 798 -11.085 0.926 -0.123 1.00 38.20 N ATOM 1732 NH2 ARG A 798 -10.895 -0.126 1.915 1.00 57.51 N ATOM 1733 HE ARG A 798 -12.100 -2.002 0.810 1.00 0.00 H ATOM 1734 HH12 ARG A 798 -10.587 1.755 0.260 1.00 0.00 H ATOM 1735 HH11 ARG A 798 -11.410 0.926 -1.111 1.00 0.00 H ATOM 1736 HH22 ARG A 798 -10.397 0.705 2.294 1.00 0.00 H ATOM 1737 HH21 ARG A 798 -11.070 -0.950 2.524 1.00 0.00 H ATOM 1738 H ARG A 798 -10.014 -0.367 -4.874 1.00 0.00 H ATOM 1739 N VAL A 799 -11.316 -3.989 -6.242 1.00 27.29 N ATOM 1740 CA VAL A 799 -12.018 -4.485 -7.423 1.00 27.32 C ATOM 1741 C VAL A 799 -12.908 -5.645 -7.006 1.00 26.41 C ATOM 1742 O VAL A 799 -12.508 -6.450 -6.165 1.00 26.35 O ATOM 1743 CB VAL A 799 -11.034 -4.936 -8.527 1.00 25.38 C ATOM 1744 CG1 VAL A 799 -11.772 -5.576 -9.673 1.00 24.20 C ATOM 1745 CG2 VAL A 799 -10.203 -3.753 -9.016 1.00 32.98 C ATOM 1746 H VAL A 799 -10.772 -4.658 -5.661 1.00 0.00 H ATOM 1747 N GLN A 800 -14.117 -5.721 -7.573 1.00 29.49 N ATOM 1748 CA GLN A 800 -15.068 -6.774 -7.222 1.00 27.79 C ATOM 1749 C GLN A 800 -14.460 -8.161 -7.385 1.00 28.60 C ATOM 1750 O GLN A 800 -13.942 -8.503 -8.448 1.00 29.75 O ATOM 1751 CB GLN A 800 -16.343 -6.684 -8.070 1.00 28.64 C ATOM 1752 CG GLN A 800 -17.268 -7.893 -7.916 1.00 39.03 C ATOM 1753 CD GLN A 800 -17.770 -8.089 -6.490 1.00 58.63 C ATOM 1754 OE1 GLN A 800 -17.846 -7.142 -5.706 1.00 67.65 O ATOM 1755 NE2 GLN A 800 -18.116 -9.327 -6.152 1.00 65.94 N ATOM 1756 HE22 GLN A 800 -18.036 -10.097 -6.846 1.00 0.00 H ATOM 1757 HE21 GLN A 800 -18.467 -9.525 -5.193 1.00 0.00 H ATOM 1758 H GLN A 800 -14.388 -5.011 -8.283 1.00 0.00 H ATOM 1759 N GLY A 801 -14.517 -8.954 -6.325 1.00 27.24 N ATOM 1760 CA GLY A 801 -14.106 -10.342 -6.409 1.00 27.94 C ATOM 1761 C GLY A 801 -12.609 -10.559 -6.272 1.00 27.28 C ATOM 1762 O GLY A 801 -12.151 -11.695 -6.386 1.00 25.15 O ATOM 1763 H GLY A 801 -14.862 -8.575 -5.420 1.00 0.00 H ATOM 1764 N ARG A 802 -11.851 -9.489 -6.036 1.00 23.38 N ATOM 1765 CA ARG A 802 -10.402 -9.596 -5.835 1.00 27.29 C ATOM 1766 C ARG A 802 -9.968 -9.176 -4.439 1.00 29.15 C ATOM 1767 O ARG A 802 -10.719 -8.543 -3.690 1.00 25.30 O ATOM 1768 CB ARG A 802 -9.635 -8.725 -6.840 1.00 24.13 C ATOM 1769 CG ARG A 802 -9.857 -9.051 -8.282 1.00 21.58 C ATOM 1770 CD ARG A 802 -8.937 -8.213 -9.138 1.00 28.06 C ATOM 1771 NE ARG A 802 -9.248 -8.260 -10.563 1.00 34.71 N ATOM 1772 CZ ARG A 802 -8.757 -7.394 -11.442 1.00 30.86 C ATOM 1773 NH1 ARG A 802 -7.948 -6.428 -11.019 1.00 35.94 N ATOM 1774 NH2 ARG A 802 -9.072 -7.481 -12.731 1.00 33.10 N ATOM 1775 HE ARG A 802 -9.884 -9.007 -10.907 1.00 0.00 H ATOM 1776 HH12 ARG A 802 -7.557 -5.743 -11.697 1.00 0.00 H ATOM 1777 HH11 ARG A 802 -7.706 -6.357 -10.010 1.00 0.00 H ATOM 1778 HH22 ARG A 802 -8.681 -6.797 -13.409 1.00 0.00 H ATOM 1779 HH21 ARG A 802 -9.710 -8.234 -13.061 1.00 0.00 H ATOM 1780 H ARG A 802 -12.299 -8.552 -5.993 1.00 0.00 H ATOM 1781 N ALA A 803 -8.729 -9.522 -4.109 1.00 26.01 N ATOM 1782 CA ALA A 803 -8.084 -9.049 -2.891 1.00 26.94 C ATOM 1783 C ALA A 803 -7.971 -7.528 -2.915 1.00 22.22 C ATOM 1784 O ALA A 803 -7.649 -6.939 -3.950 1.00 28.48 O ATOM 1785 CB ALA A 803 -6.708 -9.664 -2.760 1.00 30.84 C ATOM 1786 H ALA A 803 -8.200 -10.154 -4.743 1.00 0.00 H ATOM 1787 N VAL A 804 -8.264 -6.914 -1.779 1.00 24.54 N ATOM 1788 CA VAL A 804 -8.040 -5.484 -1.569 1.00 29.42 C ATOM 1789 C VAL A 804 -6.528 -5.227 -1.498 1.00 26.45 C ATOM 1790 O VAL A 804 -5.804 -5.939 -0.803 1.00 30.38 O ATOM 1791 CB VAL A 804 -8.730 -5.022 -0.279 1.00 30.35 C ATOM 1792 CG1 VAL A 804 -8.529 -3.531 -0.065 1.00 24.12 C ATOM 1793 CG2 VAL A 804 -10.224 -5.375 -0.312 1.00 36.20 C ATOM 1794 H VAL A 804 -8.671 -7.473 -1.002 1.00 0.00 H ATOM 1795 N LEU A 805 -6.041 -4.223 -2.222 1.00 19.86 N ATOM 1796 CA LEU A 805 -4.595 -4.071 -2.418 1.00 19.08 C ATOM 1797 C LEU A 805 -4.085 -2.673 -2.077 1.00 20.79 C ATOM 1798 O LEU A 805 -4.550 -1.687 -2.672 1.00 15.60 O ATOM 1799 CB LEU A 805 -4.231 -4.359 -3.880 1.00 20.08 C ATOM 1800 CG LEU A 805 -4.564 -5.754 -4.408 1.00 32.89 C ATOM 1801 CD1 LEU A 805 -4.181 -5.849 -5.863 1.00 29.85 C ATOM 1802 CD2 LEU A 805 -3.841 -6.810 -3.593 1.00 30.49 C ATOM 1803 H LEU A 805 -6.693 -3.538 -2.654 1.00 0.00 H ATOM 1804 N PRO A 806 -3.116 -2.580 -1.144 1.00 16.79 N ATOM 1805 CA PRO A 806 -2.470 -1.296 -0.820 1.00 14.74 C ATOM 1806 C PRO A 806 -1.454 -0.928 -1.900 1.00 11.99 C ATOM 1807 O PRO A 806 -0.242 -0.906 -1.626 1.00 14.44 O ATOM 1808 CB PRO A 806 -1.751 -1.599 0.495 1.00 18.39 C ATOM 1809 CG PRO A 806 -1.393 -3.058 0.363 1.00 12.36 C ATOM 1810 CD PRO A 806 -2.605 -3.670 -0.295 1.00 15.22 C ATOM 1811 N ILE A 807 -1.955 -0.606 -3.095 1.00 16.84 N ATOM 1812 CA ILE A 807 -1.097 -0.457 -4.277 1.00 15.14 C ATOM 1813 C ILE A 807 0.060 0.542 -4.135 1.00 13.15 C ATOM 1814 O ILE A 807 1.137 0.337 -4.703 1.00 15.13 O ATOM 1815 CB ILE A 807 -1.913 -0.157 -5.590 1.00 14.72 C ATOM 1816 CG1 ILE A 807 -2.709 1.142 -5.452 1.00 16.89 C ATOM 1817 CG2 ILE A 807 -2.820 -1.362 -5.967 1.00 21.58 C ATOM 1818 CD1 ILE A 807 -3.476 1.538 -6.674 1.00 17.39 C ATOM 1819 H ILE A 807 -2.980 -0.457 -3.191 1.00 0.00 H ATOM 1820 N ARG A 808 -0.135 1.612 -3.374 1.00 11.73 N ATOM 1821 CA ARG A 808 0.920 2.617 -3.275 1.00 15.02 C ATOM 1822 C ARG A 808 2.153 2.207 -2.467 1.00 13.83 C ATOM 1823 O ARG A 808 3.181 2.895 -2.492 1.00 16.03 O ATOM 1824 CB ARG A 808 0.348 3.939 -2.772 1.00 14.63 C ATOM 1825 CG ARG A 808 -0.573 4.591 -3.798 1.00 18.07 C ATOM 1826 CD ARG A 808 -1.527 5.573 -3.152 1.00 16.38 C ATOM 1827 NE ARG A 808 -2.591 5.939 -4.092 1.00 19.67 N ATOM 1828 CZ ARG A 808 -2.490 6.888 -5.029 1.00 19.59 C ATOM 1829 NH1 ARG A 808 -1.366 7.589 -5.169 1.00 18.50 N ATOM 1830 NH2 ARG A 808 -3.518 7.116 -5.837 1.00 24.86 N ATOM 1831 HE ARG A 808 -3.491 5.422 -4.025 1.00 0.00 H ATOM 1832 HH12 ARG A 808 -1.300 8.324 -5.901 1.00 0.00 H ATOM 1833 HH11 ARG A 808 -0.555 7.401 -4.546 1.00 0.00 H ATOM 1834 HH22 ARG A 808 -3.451 7.851 -6.569 1.00 0.00 H ATOM 1835 HH21 ARG A 808 -4.391 6.559 -5.738 1.00 0.00 H ATOM 1836 H ARG A 808 -1.028 1.733 -2.855 1.00 0.00 H ATOM 1837 N TRP A 809 2.029 1.097 -1.740 1.00 13.30 N ATOM 1838 CA TRP A 809 3.110 0.529 -0.949 1.00 13.23 C ATOM 1839 C TRP A 809 3.693 -0.718 -1.629 1.00 15.51 C ATOM 1840 O TRP A 809 4.671 -1.288 -1.151 1.00 15.98 O ATOM 1841 CB TRP A 809 2.595 0.191 0.462 1.00 12.88 C ATOM 1842 CG TRP A 809 2.488 1.410 1.363 1.00 15.17 C ATOM 1843 CD1 TRP A 809 3.370 1.790 2.341 1.00 14.42 C ATOM 1844 CD2 TRP A 809 1.442 2.395 1.361 1.00 13.05 C ATOM 1845 NE1 TRP A 809 2.945 2.965 2.927 1.00 13.30 N ATOM 1846 CE2 TRP A 809 1.772 3.360 2.345 1.00 10.72 C ATOM 1847 CE3 TRP A 809 0.275 2.573 0.617 1.00 12.20 C ATOM 1848 CZ2 TRP A 809 0.960 4.471 2.602 1.00 12.42 C ATOM 1849 CZ3 TRP A 809 -0.524 3.679 0.874 1.00 12.00 C ATOM 1850 CH2 TRP A 809 -0.178 4.617 1.858 1.00 12.60 C ATOM 1851 HE1 TRP A 809 3.439 3.470 3.690 1.00 0.00 H ATOM 1852 H TRP A 809 1.110 0.610 -1.738 1.00 0.00 H ATOM 1853 N MET A 810 3.092 -1.139 -2.742 1.00 14.60 N ATOM 1854 CA MET A 810 3.397 -2.455 -3.323 1.00 16.95 C ATOM 1855 C MET A 810 4.500 -2.445 -4.374 1.00 14.08 C ATOM 1856 O MET A 810 4.471 -1.637 -5.304 1.00 17.82 O ATOM 1857 CB MET A 810 2.127 -3.110 -3.900 1.00 19.28 C ATOM 1858 CG MET A 810 1.185 -3.644 -2.833 1.00 18.27 C ATOM 1859 SD MET A 810 -0.473 -4.033 -3.390 1.00 18.21 S ATOM 1860 CE MET A 810 -0.144 -5.314 -4.605 1.00 15.79 C ATOM 1861 H MET A 810 2.394 -0.525 -3.208 1.00 0.00 H ATOM 1862 N ALA A 811 5.467 -3.346 -4.229 1.00 14.45 N ATOM 1863 CA ALA A 811 6.453 -3.578 -5.275 1.00 14.63 C ATOM 1864 C ALA A 811 5.762 -3.944 -6.600 1.00 18.61 C ATOM 1865 O ALA A 811 4.653 -4.486 -6.612 1.00 15.94 O ATOM 1866 CB ALA A 811 7.427 -4.666 -4.829 1.00 17.35 C ATOM 1867 H ALA A 811 5.520 -3.897 -3.349 1.00 0.00 H ATOM 1868 N TRP A 812 6.400 -3.596 -7.711 1.00 17.79 N ATOM 1869 CA TRP A 812 5.790 -3.803 -9.025 1.00 19.37 C ATOM 1870 C TRP A 812 5.350 -5.242 -9.216 1.00 22.73 C ATOM 1871 O TRP A 812 4.278 -5.498 -9.755 1.00 19.49 O ATOM 1872 CB TRP A 812 6.743 -3.374 -10.147 1.00 21.22 C ATOM 1873 CG TRP A 812 7.946 -4.262 -10.315 1.00 19.90 C ATOM 1874 CD1 TRP A 812 9.173 -4.113 -9.730 1.00 16.16 C ATOM 1875 CD2 TRP A 812 8.035 -5.421 -11.148 1.00 24.45 C ATOM 1876 NE1 TRP A 812 10.020 -5.125 -10.140 1.00 19.86 N ATOM 1877 CE2 TRP A 812 9.341 -5.943 -11.008 1.00 24.88 C ATOM 1878 CE3 TRP A 812 7.129 -6.084 -11.982 1.00 25.14 C ATOM 1879 CZ2 TRP A 812 9.763 -7.085 -11.681 1.00 26.84 C ATOM 1880 CZ3 TRP A 812 7.557 -7.223 -12.655 1.00 30.62 C ATOM 1881 CH2 TRP A 812 8.855 -7.711 -12.496 1.00 27.35 C ATOM 1882 HE1 TRP A 812 11.008 -5.247 -9.840 1.00 0.00 H ATOM 1883 H TRP A 812 7.347 -3.170 -7.647 1.00 0.00 H ATOM 1884 N GLU A 813 6.146 -6.185 -8.717 1.00 21.04 N ATOM 1885 CA GLU A 813 5.837 -7.592 -8.910 1.00 21.26 C ATOM 1886 C GLU A 813 4.642 -8.036 -8.069 1.00 24.82 C ATOM 1887 O GLU A 813 3.993 -9.037 -8.388 1.00 25.98 O ATOM 1888 CB GLU A 813 7.079 -8.465 -8.659 1.00 21.29 C ATOM 1889 CG GLU A 813 7.418 -8.686 -7.197 1.00 20.86 C ATOM 1890 CD GLU A 813 8.320 -7.606 -6.620 1.00 19.08 C ATOM 1891 OE1 GLU A 813 8.687 -6.658 -7.350 1.00 20.19 O ATOM 1892 OE2 GLU A 813 8.657 -7.717 -5.418 1.00 23.46 O ATOM 1893 H GLU A 813 6.997 -5.913 -8.184 1.00 0.00 H ATOM 1894 N CYS A 814 4.333 -7.295 -7.003 1.00 18.79 N ATOM 1895 CA CYS A 814 3.135 -7.597 -6.224 1.00 18.37 C ATOM 1896 C CYS A 814 1.901 -7.172 -6.996 1.00 18.65 C ATOM 1897 O CYS A 814 0.896 -7.894 -7.052 1.00 25.42 O ATOM 1898 CB CYS A 814 3.126 -6.855 -4.891 1.00 19.74 C ATOM 1899 SG CYS A 814 4.526 -7.132 -3.863 1.00 21.64 S ATOM 1900 H CYS A 814 4.946 -6.502 -6.727 1.00 0.00 H ATOM 1901 N ILE A 815 1.978 -5.983 -7.563 1.00 20.01 N ATOM 1902 CA ILE A 815 0.872 -5.443 -8.337 1.00 26.45 C ATOM 1903 C ILE A 815 0.599 -6.310 -9.563 1.00 26.68 C ATOM 1904 O ILE A 815 -0.553 -6.634 -9.850 1.00 31.12 O ATOM 1905 CB ILE A 815 1.101 -3.971 -8.732 1.00 18.16 C ATOM 1906 CG1 ILE A 815 1.104 -3.079 -7.482 1.00 18.16 C ATOM 1907 CG2 ILE A 815 0.022 -3.497 -9.707 1.00 25.68 C ATOM 1908 CD1 ILE A 815 1.414 -1.638 -7.745 1.00 20.24 C ATOM 1909 H ILE A 815 2.847 -5.421 -7.454 1.00 0.00 H ATOM 1910 N LEU A 816 1.656 -6.735 -10.252 1.00 21.39 N ATOM 1911 CA LEU A 816 1.476 -7.485 -11.497 1.00 23.51 C ATOM 1912 C LEU A 816 1.198 -8.983 -11.340 1.00 30.75 C ATOM 1913 O LEU A 816 0.490 -9.578 -12.155 1.00 33.67 O ATOM 1914 CB LEU A 816 2.687 -7.297 -12.404 1.00 23.58 C ATOM 1915 CG LEU A 816 2.940 -5.860 -12.850 1.00 25.91 C ATOM 1916 CD1 LEU A 816 3.914 -5.880 -14.018 1.00 27.83 C ATOM 1917 CD2 LEU A 816 1.634 -5.183 -13.245 1.00 25.97 C ATOM 1918 H LEU A 816 2.615 -6.533 -9.904 1.00 0.00 H ATOM 1919 N MET A 817 1.757 -9.597 -10.306 1.00 26.68 N ATOM 1920 CA MET A 817 1.719 -11.052 -10.212 1.00 25.15 C ATOM 1921 C MET A 817 1.224 -11.616 -8.867 1.00 27.87 C ATOM 1922 O MET A 817 1.150 -12.841 -8.698 1.00 27.01 O ATOM 1923 CB MET A 817 3.098 -11.620 -10.557 1.00 30.13 C ATOM 1924 CG MET A 817 3.549 -11.288 -11.980 1.00 46.51 C ATOM 1925 SD MET A 817 5.247 -11.767 -12.336 1.00 60.61 S ATOM 1926 CE MET A 817 6.105 -11.055 -10.936 1.00 64.01 C ATOM 1927 H MET A 817 2.223 -9.040 -9.561 1.00 0.00 H ATOM 1928 N GLY A 818 0.885 -10.742 -7.925 1.00 30.63 N ATOM 1929 CA GLY A 818 0.429 -11.178 -6.608 1.00 29.02 C ATOM 1930 C GLY A 818 1.503 -11.864 -5.782 1.00 29.23 C ATOM 1931 O GLY A 818 1.214 -12.689 -4.915 1.00 35.09 O ATOM 1932 H GLY A 818 0.946 -9.724 -8.130 1.00 0.00 H ATOM 1933 N LYS A 819 2.759 -11.548 -6.060 1.00 30.80 N ATOM 1934 CA LYS A 819 3.857 -12.205 -5.359 1.00 31.46 C ATOM 1935 C LYS A 819 4.349 -11.370 -4.181 1.00 30.22 C ATOM 1936 O LYS A 819 5.056 -10.380 -4.378 1.00 30.77 O ATOM 1937 CB LYS A 819 5.014 -12.502 -6.324 1.00 28.89 C ATOM 1938 CG LYS A 819 6.209 -13.165 -5.668 1.00 38.44 C ATOM 1939 CD LYS A 819 6.655 -14.387 -6.446 1.00 42.82 C ATOM 1940 CE LYS A 819 7.417 -15.351 -5.545 1.00 44.87 C ATOM 1941 NZ LYS A 819 6.553 -15.881 -4.447 1.00 39.89 N ATOM 1942 HZ1 LYS A 819 6.210 -15.090 -3.865 1.00 0.00 H ATOM 1943 HZ2 LYS A 819 5.743 -16.387 -4.859 1.00 0.00 H ATOM 1944 HZ3 LYS A 819 7.107 -16.533 -3.856 1.00 0.00 H ATOM 1945 H LYS A 819 2.964 -10.828 -6.782 1.00 0.00 H ATOM 1946 N PHE A 820 3.971 -11.756 -2.961 1.00 31.64 N ATOM 1947 CA PHE A 820 4.481 -11.072 -1.763 1.00 20.42 C ATOM 1948 C PHE A 820 5.592 -11.879 -1.121 1.00 18.52 C ATOM 1949 O PHE A 820 5.449 -13.079 -0.875 1.00 20.65 O ATOM 1950 CB PHE A 820 3.387 -10.798 -0.724 1.00 19.34 C ATOM 1951 CG PHE A 820 2.327 -9.843 -1.187 1.00 21.98 C ATOM 1952 CD1 PHE A 820 1.319 -10.267 -2.036 1.00 28.93 C ATOM 1953 CD2 PHE A 820 2.341 -8.520 -0.787 1.00 23.08 C ATOM 1954 CE1 PHE A 820 0.335 -9.384 -2.469 1.00 23.21 C ATOM 1955 CE2 PHE A 820 1.365 -7.641 -1.214 1.00 24.23 C ATOM 1956 CZ PHE A 820 0.360 -8.069 -2.050 1.00 20.70 C ATOM 1957 H PHE A 820 3.308 -12.550 -2.856 1.00 0.00 H ATOM 1958 N THR A 821 6.705 -11.209 -0.864 1.00 17.31 N ATOM 1959 CA THR A 821 7.904 -11.835 -0.313 1.00 16.11 C ATOM 1960 C THR A 821 8.520 -10.863 0.684 1.00 16.56 C ATOM 1961 O THR A 821 8.063 -9.721 0.813 1.00 16.45 O ATOM 1962 CB THR A 821 8.942 -12.103 -1.404 1.00 15.10 C ATOM 1963 OG1 THR A 821 9.365 -10.867 -2.007 1.00 18.86 O ATOM 1964 CG2 THR A 821 8.360 -13.010 -2.492 1.00 14.65 C ATOM 1965 HG1 THR A 821 8.583 -10.413 -2.409 1.00 0.00 H ATOM 1966 H THR A 821 6.726 -10.189 -1.064 1.00 0.00 H ATOM 1967 N THR A 822 9.557 -11.311 1.387 1.00 16.71 N ATOM 1968 CA THR A 822 10.316 -10.399 2.236 1.00 16.52 C ATOM 1969 C THR A 822 10.868 -9.246 1.394 1.00 16.46 C ATOM 1970 O THR A 822 10.927 -8.115 1.870 1.00 16.26 O ATOM 1971 CB THR A 822 11.470 -11.123 2.966 1.00 17.76 C ATOM 1972 OG1 THR A 822 10.931 -12.108 3.858 1.00 26.03 O ATOM 1973 CG2 THR A 822 12.312 -10.143 3.747 1.00 22.06 C ATOM 1974 HG1 THR A 822 11.672 -12.570 4.324 1.00 0.00 H ATOM 1975 H THR A 822 9.827 -12.314 1.331 1.00 0.00 H ATOM 1976 N ALA A 823 11.234 -9.505 0.139 1.00 18.40 N ATOM 1977 CA ALA A 823 11.778 -8.445 -0.704 1.00 13.72 C ATOM 1978 C ALA A 823 10.725 -7.397 -1.057 1.00 17.25 C ATOM 1979 O ALA A 823 11.044 -6.208 -1.240 1.00 15.46 O ATOM 1980 CB ALA A 823 12.413 -9.035 -1.961 1.00 20.75 C ATOM 1981 H ALA A 823 11.131 -10.467 -0.242 1.00 0.00 H ATOM 1982 N SER A 824 9.465 -7.808 -1.145 1.00 14.03 N ATOM 1983 CA SER A 824 8.415 -6.806 -1.315 1.00 14.50 C ATOM 1984 C SER A 824 8.079 -6.125 0.008 1.00 14.87 C ATOM 1985 O SER A 824 7.650 -4.974 0.024 1.00 16.08 O ATOM 1986 CB SER A 824 7.157 -7.332 -1.989 1.00 14.89 C ATOM 1987 OG SER A 824 6.601 -8.456 -1.333 1.00 17.10 O ATOM 1988 HG SER A 824 6.363 -8.210 -0.404 1.00 0.00 H ATOM 1989 H SER A 824 9.231 -8.820 -1.094 1.00 0.00 H ATOM 1990 N ASP A 825 8.279 -6.824 1.129 1.00 17.43 N ATOM 1991 CA ASP A 825 8.214 -6.133 2.402 1.00 16.58 C ATOM 1992 C ASP A 825 9.304 -5.051 2.479 1.00 17.46 C ATOM 1993 O ASP A 825 9.057 -3.958 2.994 1.00 12.80 O ATOM 1994 CB ASP A 825 8.375 -7.095 3.587 1.00 14.25 C ATOM 1995 CG ASP A 825 7.079 -7.806 3.994 1.00 13.24 C ATOM 1996 OD1 ASP A 825 5.950 -7.491 3.541 1.00 15.06 O ATOM 1997 OD2 ASP A 825 7.198 -8.688 4.846 1.00 16.18 O ATOM 1998 H ASP A 825 8.477 -7.844 1.089 1.00 0.00 H ATOM 1999 N VAL A 826 10.500 -5.332 1.964 1.00 13.57 N ATOM 2000 CA VAL A 826 11.538 -4.289 1.889 1.00 13.91 C ATOM 2001 C VAL A 826 11.071 -3.047 1.082 1.00 14.30 C ATOM 2002 O VAL A 826 11.290 -1.895 1.488 1.00 12.27 O ATOM 2003 CB VAL A 826 12.863 -4.839 1.341 1.00 14.95 C ATOM 2004 CG1 VAL A 826 13.914 -3.734 1.109 1.00 14.84 C ATOM 2005 CG2 VAL A 826 13.438 -5.898 2.280 1.00 15.47 C ATOM 2006 H VAL A 826 10.702 -6.290 1.614 1.00 0.00 H ATOM 2007 N TRP A 827 10.450 -3.281 -0.060 1.00 15.39 N ATOM 2008 CA TRP A 827 9.922 -2.190 -0.867 1.00 15.11 C ATOM 2009 C TRP A 827 8.905 -1.379 -0.066 1.00 14.55 C ATOM 2010 O TRP A 827 8.948 -0.132 -0.054 1.00 14.28 O ATOM 2011 CB TRP A 827 9.288 -2.764 -2.127 1.00 18.58 C ATOM 2012 CG TRP A 827 8.629 -1.793 -3.050 1.00 15.06 C ATOM 2013 CD1 TRP A 827 7.557 -0.982 -2.786 1.00 14.76 C ATOM 2014 CD2 TRP A 827 8.967 -1.574 -4.423 1.00 17.55 C ATOM 2015 NE1 TRP A 827 7.213 -0.265 -3.916 1.00 15.36 N ATOM 2016 CE2 TRP A 827 8.060 -0.623 -4.934 1.00 13.86 C ATOM 2017 CE3 TRP A 827 9.933 -2.114 -5.275 1.00 15.26 C ATOM 2018 CZ2 TRP A 827 8.117 -0.167 -6.261 1.00 19.94 C ATOM 2019 CZ3 TRP A 827 9.984 -1.664 -6.617 1.00 17.42 C ATOM 2020 CH2 TRP A 827 9.081 -0.708 -7.085 1.00 16.00 C ATOM 2021 HE1 TRP A 827 6.442 0.429 -3.983 1.00 0.00 H ATOM 2022 H TRP A 827 10.336 -4.261 -0.388 1.00 0.00 H ATOM 2023 N ALA A 828 7.997 -2.078 0.617 1.00 14.82 N ATOM 2024 CA ALA A 828 7.006 -1.395 1.444 1.00 14.79 C ATOM 2025 C ALA A 828 7.673 -0.632 2.579 1.00 14.13 C ATOM 2026 O ALA A 828 7.200 0.437 2.947 1.00 14.77 O ATOM 2027 CB ALA A 828 5.994 -2.363 2.005 1.00 12.68 C ATOM 2028 H ALA A 828 7.995 -3.116 0.560 1.00 0.00 H ATOM 2029 N PHE A 829 8.760 -1.179 3.134 1.00 12.22 N ATOM 2030 CA PHE A 829 9.496 -0.447 4.175 1.00 13.68 C ATOM 2031 C PHE A 829 10.086 0.854 3.601 1.00 15.27 C ATOM 2032 O PHE A 829 10.103 1.890 4.273 1.00 13.86 O ATOM 2033 CB PHE A 829 10.600 -1.292 4.820 1.00 12.49 C ATOM 2034 CG PHE A 829 11.445 -0.505 5.778 1.00 13.56 C ATOM 2035 CD1 PHE A 829 11.016 -0.299 7.077 1.00 18.04 C ATOM 2036 CD2 PHE A 829 12.628 0.091 5.372 1.00 16.08 C ATOM 2037 CE1 PHE A 829 11.768 0.450 7.966 1.00 20.62 C ATOM 2038 CE2 PHE A 829 13.391 0.851 6.263 1.00 16.41 C ATOM 2039 CZ PHE A 829 12.953 1.034 7.555 1.00 18.99 C ATOM 2040 H PHE A 829 9.084 -2.119 2.830 1.00 0.00 H ATOM 2041 N GLY A 830 10.563 0.805 2.365 1.00 14.58 N ATOM 2042 CA GLY A 830 11.023 2.029 1.707 1.00 12.66 C ATOM 2043 C GLY A 830 9.937 3.088 1.668 1.00 14.60 C ATOM 2044 O GLY A 830 10.189 4.268 1.973 1.00 13.12 O ATOM 2045 H GLY A 830 10.610 -0.104 1.862 1.00 0.00 H ATOM 2046 N VAL A 831 8.725 2.682 1.297 1.00 13.34 N ATOM 2047 CA VAL A 831 7.597 3.621 1.263 1.00 14.96 C ATOM 2048 C VAL A 831 7.249 4.094 2.689 1.00 13.88 C ATOM 2049 O VAL A 831 6.961 5.275 2.922 1.00 13.74 O ATOM 2050 CB VAL A 831 6.370 2.999 0.557 1.00 13.87 C ATOM 2051 CG1 VAL A 831 5.231 3.981 0.512 1.00 15.26 C ATOM 2052 CG2 VAL A 831 6.726 2.558 -0.875 1.00 14.86 C ATOM 2053 H VAL A 831 8.575 1.689 1.028 1.00 0.00 H ATOM 2054 N THR A 832 7.324 3.179 3.653 1.00 12.85 N ATOM 2055 CA THR A 832 7.062 3.538 5.049 1.00 10.49 C ATOM 2056 C THR A 832 8.084 4.520 5.575 1.00 11.83 C ATOM 2057 O THR A 832 7.726 5.451 6.301 1.00 13.19 O ATOM 2058 CB THR A 832 7.042 2.289 5.923 1.00 11.01 C ATOM 2059 OG1 THR A 832 6.079 1.368 5.399 1.00 13.79 O ATOM 2060 CG2 THR A 832 6.710 2.623 7.367 1.00 12.80 C ATOM 2061 HG1 THR A 832 6.328 1.124 4.472 1.00 0.00 H ATOM 2062 H THR A 832 7.571 2.198 3.412 1.00 0.00 H ATOM 2063 N LEU A 833 9.349 4.322 5.217 1.00 12.17 N ATOM 2064 CA LEU A 833 10.416 5.254 5.564 1.00 14.44 C ATOM 2065 C LEU A 833 10.152 6.625 4.933 1.00 11.21 C ATOM 2066 O LEU A 833 10.319 7.657 5.569 1.00 15.99 O ATOM 2067 CB LEU A 833 11.765 4.673 5.098 1.00 13.99 C ATOM 2068 CG LEU A 833 13.061 5.475 5.311 1.00 14.98 C ATOM 2069 CD1 LEU A 833 13.325 5.756 6.792 1.00 17.45 C ATOM 2070 CD2 LEU A 833 14.244 4.780 4.686 1.00 21.65 C ATOM 2071 H LEU A 833 9.587 3.471 4.669 1.00 0.00 H ATOM 2072 N TRP A 834 9.732 6.631 3.675 1.00 12.47 N ATOM 2073 CA TRP A 834 9.354 7.854 3.002 1.00 12.66 C ATOM 2074 C TRP A 834 8.204 8.535 3.764 1.00 12.75 C ATOM 2075 O TRP A 834 8.248 9.747 3.998 1.00 15.07 O ATOM 2076 CB TRP A 834 8.968 7.520 1.557 1.00 13.22 C ATOM 2077 CG TRP A 834 8.536 8.697 0.769 1.00 11.43 C ATOM 2078 CD1 TRP A 834 9.331 9.468 -0.023 1.00 10.73 C ATOM 2079 CD2 TRP A 834 7.223 9.259 0.696 1.00 13.63 C ATOM 2080 NE1 TRP A 834 8.594 10.481 -0.583 1.00 13.83 N ATOM 2081 CE2 TRP A 834 7.294 10.365 -0.179 1.00 15.44 C ATOM 2082 CE3 TRP A 834 5.990 8.920 1.259 1.00 16.21 C ATOM 2083 CZ2 TRP A 834 6.187 11.147 -0.490 1.00 16.23 C ATOM 2084 CZ3 TRP A 834 4.877 9.692 0.938 1.00 14.00 C ATOM 2085 CH2 TRP A 834 4.986 10.797 0.082 1.00 13.75 C ATOM 2086 HE1 TRP A 834 8.966 11.219 -1.214 1.00 0.00 H ATOM 2087 H TRP A 834 9.673 5.731 3.158 1.00 0.00 H ATOM 2088 N GLU A 835 7.208 7.764 4.210 1.00 14.17 N ATOM 2089 CA GLU A 835 6.116 8.353 5.008 1.00 14.54 C ATOM 2090 C GLU A 835 6.629 9.046 6.272 1.00 14.60 C ATOM 2091 O GLU A 835 6.238 10.179 6.590 1.00 15.19 O ATOM 2092 CB GLU A 835 5.132 7.289 5.452 1.00 12.87 C ATOM 2093 CG GLU A 835 4.276 6.651 4.395 1.00 12.33 C ATOM 2094 CD GLU A 835 3.294 5.709 5.058 1.00 16.79 C ATOM 2095 OE1 GLU A 835 2.221 6.201 5.482 1.00 18.03 O ATOM 2096 OE2 GLU A 835 3.630 4.511 5.198 1.00 15.69 O ATOM 2097 H GLU A 835 7.203 6.747 3.994 1.00 0.00 H ATOM 2098 N VAL A 836 7.487 8.336 7.006 1.00 13.88 N ATOM 2099 CA VAL A 836 8.042 8.858 8.244 1.00 15.07 C ATOM 2100 C VAL A 836 8.774 10.164 7.977 1.00 18.28 C ATOM 2101 O VAL A 836 8.566 11.149 8.699 1.00 18.32 O ATOM 2102 CB VAL A 836 8.991 7.838 8.903 1.00 14.47 C ATOM 2103 CG1 VAL A 836 9.756 8.485 10.046 1.00 15.29 C ATOM 2104 CG2 VAL A 836 8.198 6.620 9.390 1.00 17.75 C ATOM 2105 H VAL A 836 7.765 7.387 6.685 1.00 0.00 H ATOM 2106 N LEU A 837 9.598 10.196 6.930 1.00 16.11 N ATOM 2107 CA LEU A 837 10.360 11.412 6.607 1.00 17.83 C ATOM 2108 C LEU A 837 9.500 12.571 6.045 1.00 16.77 C ATOM 2109 O LEU A 837 9.928 13.734 6.061 1.00 18.33 O ATOM 2110 CB LEU A 837 11.536 11.080 5.680 1.00 21.00 C ATOM 2111 CG LEU A 837 12.861 10.597 6.298 1.00 29.68 C ATOM 2112 CD1 LEU A 837 13.460 11.649 7.203 1.00 27.35 C ATOM 2113 CD2 LEU A 837 12.703 9.288 7.054 1.00 34.60 C ATOM 2114 H LEU A 837 9.704 9.350 6.334 1.00 0.00 H ATOM 2115 N MET A 838 8.294 12.240 5.575 1.00 16.11 N ATOM 2116 CA MET A 838 7.264 13.210 5.173 1.00 17.83 C ATOM 2117 C MET A 838 6.375 13.611 6.339 1.00 16.65 C ATOM 2118 O MET A 838 5.423 14.406 6.181 1.00 18.05 O ATOM 2119 CB MET A 838 6.357 12.600 4.094 1.00 17.41 C ATOM 2120 CG MET A 838 7.010 12.420 2.719 1.00 18.05 C ATOM 2121 SD MET A 838 7.502 13.991 1.971 1.00 18.71 S ATOM 2122 CE MET A 838 5.941 14.672 1.394 1.00 21.84 C ATOM 2123 H MET A 838 8.068 11.229 5.487 1.00 0.00 H ATOM 2124 N LEU A 839 6.683 13.055 7.509 1.00 18.12 N ATOM 2125 CA LEU A 839 5.849 13.193 8.708 1.00 15.85 C ATOM 2126 C LEU A 839 4.390 12.836 8.471 1.00 17.42 C ATOM 2127 O LEU A 839 3.488 13.431 9.073 1.00 18.00 O ATOM 2128 CB LEU A 839 5.993 14.593 9.332 1.00 23.11 C ATOM 2129 CG LEU A 839 7.362 14.732 10.018 1.00 26.57 C ATOM 2130 CD1 LEU A 839 8.378 15.403 9.115 1.00 28.33 C ATOM 2131 CD2 LEU A 839 7.272 15.416 11.357 1.00 22.62 C ATOM 2132 H LEU A 839 7.557 12.496 7.576 1.00 0.00 H ATOM 2133 N CYS A 840 4.178 11.859 7.590 1.00 16.60 N ATOM 2134 CA CYS A 840 2.857 11.335 7.270 1.00 18.42 C ATOM 2135 C CYS A 840 1.921 12.412 6.740 1.00 17.30 C ATOM 2136 O CYS A 840 0.712 12.356 6.953 1.00 27.23 O ATOM 2137 CB CYS A 840 2.260 10.606 8.487 1.00 19.84 C ATOM 2138 SG CYS A 840 3.237 9.155 8.942 1.00 19.09 S ATOM 2139 H CYS A 840 5.001 11.448 7.104 1.00 0.00 H ATOM 2140 N ARG A 841 2.467 13.375 6.014 1.00 17.82 N ATOM 2141 CA ARG A 841 1.629 14.503 5.633 1.00 27.27 C ATOM 2142 C ARG A 841 1.208 14.449 4.173 1.00 26.24 C ATOM 2143 O ARG A 841 0.488 15.317 3.703 1.00 24.72 O ATOM 2144 CB ARG A 841 2.258 15.835 6.032 1.00 29.89 C ATOM 2145 CG ARG A 841 2.143 16.083 7.533 1.00 26.24 C ATOM 2146 CD ARG A 841 2.675 17.417 7.929 1.00 30.59 C ATOM 2147 NE ARG A 841 2.353 17.690 9.317 1.00 34.39 N ATOM 2148 CZ ARG A 841 2.278 18.912 9.831 1.00 46.18 C ATOM 2149 NH1 ARG A 841 2.504 19.972 9.062 1.00 46.64 N ATOM 2150 NH2 ARG A 841 1.974 19.074 11.109 1.00 53.07 N ATOM 2151 HE ARG A 841 2.170 16.882 9.946 1.00 0.00 H ATOM 2152 HH12 ARG A 841 2.445 20.929 9.465 1.00 0.00 H ATOM 2153 HH11 ARG A 841 2.740 19.845 8.057 1.00 0.00 H ATOM 2154 HH22 ARG A 841 1.915 20.031 11.512 1.00 0.00 H ATOM 2155 HH21 ARG A 841 1.794 18.244 11.710 1.00 0.00 H ATOM 2156 H ARG A 841 3.465 13.327 5.724 1.00 0.00 H ATOM 2157 N ALA A 842 1.628 13.396 3.480 1.00 25.91 N ATOM 2158 CA ALA A 842 1.194 13.167 2.101 1.00 22.54 C ATOM 2159 C ALA A 842 1.126 11.680 1.755 1.00 20.21 C ATOM 2160 O ALA A 842 1.954 10.889 2.202 1.00 24.98 O ATOM 2161 CB ALA A 842 2.115 13.883 1.129 1.00 28.05 C ATOM 2162 H ALA A 842 2.279 12.720 3.927 1.00 0.00 H ATOM 2163 N GLN A 843 0.129 11.289 0.974 1.00 17.38 N ATOM 2164 CA GLN A 843 0.027 9.908 0.521 1.00 17.57 C ATOM 2165 C GLN A 843 1.085 9.648 -0.540 1.00 18.85 C ATOM 2166 O GLN A 843 1.331 10.505 -1.372 1.00 17.33 O ATOM 2167 CB GLN A 843 -1.362 9.649 -0.070 1.00 22.44 C ATOM 2168 CG GLN A 843 -1.609 8.218 -0.514 1.00 19.54 C ATOM 2169 CD GLN A 843 -2.943 8.045 -1.216 1.00 28.11 C ATOM 2170 OE1 GLN A 843 -3.248 8.756 -2.176 1.00 27.82 O ATOM 2171 NE2 GLN A 843 -3.751 7.096 -0.739 1.00 21.76 N ATOM 2172 HE22 GLN A 843 -3.453 6.519 0.073 1.00 0.00 H ATOM 2173 HE21 GLN A 843 -4.679 6.933 -1.180 1.00 0.00 H ATOM 2174 H GLN A 843 -0.592 11.979 0.680 1.00 0.00 H ATOM 2175 N PRO A 844 1.707 8.452 -0.519 1.00 13.08 N ATOM 2176 CA PRO A 844 2.670 8.133 -1.595 1.00 14.42 C ATOM 2177 C PRO A 844 2.056 8.267 -2.992 1.00 14.58 C ATOM 2178 O PRO A 844 0.912 7.863 -3.185 1.00 16.03 O ATOM 2179 CB PRO A 844 3.067 6.682 -1.313 1.00 14.77 C ATOM 2180 CG PRO A 844 2.755 6.482 0.145 1.00 17.00 C ATOM 2181 CD PRO A 844 1.600 7.370 0.472 1.00 13.82 C ATOM 2182 N PHE A 845 2.806 8.847 -3.939 1.00 15.51 N ATOM 2183 CA PHE A 845 2.303 9.140 -5.288 1.00 11.88 C ATOM 2184 C PHE A 845 0.990 9.927 -5.274 1.00 16.98 C ATOM 2185 O PHE A 845 0.126 9.718 -6.111 1.00 19.96 O ATOM 2186 CB PHE A 845 2.154 7.839 -6.101 1.00 16.37 C ATOM 2187 CG PHE A 845 3.464 7.099 -6.302 1.00 17.03 C ATOM 2188 CD1 PHE A 845 4.477 7.665 -7.062 1.00 18.29 C ATOM 2189 CD2 PHE A 845 3.677 5.850 -5.733 1.00 19.88 C ATOM 2190 CE1 PHE A 845 5.692 6.997 -7.246 1.00 20.48 C ATOM 2191 CE2 PHE A 845 4.891 5.167 -5.923 1.00 21.15 C ATOM 2192 CZ PHE A 845 5.891 5.743 -6.695 1.00 23.56 C ATOM 2193 H PHE A 845 3.788 9.101 -3.709 1.00 0.00 H ATOM 2194 N GLY A 846 0.860 10.831 -4.303 1.00 22.13 N ATOM 2195 CA GLY A 846 -0.421 11.445 -3.985 1.00 17.77 C ATOM 2196 C GLY A 846 -1.122 12.171 -5.124 1.00 17.47 C ATOM 2197 O GLY A 846 -2.348 12.312 -5.104 1.00 22.59 O ATOM 2198 H GLY A 846 1.700 11.106 -3.755 1.00 0.00 H ATOM 2199 N GLN A 847 -0.352 12.660 -6.092 1.00 24.16 N ATOM 2200 CA GLN A 847 -0.912 13.370 -7.248 1.00 25.88 C ATOM 2201 C GLN A 847 -1.182 12.453 -8.451 1.00 26.04 C ATOM 2202 O GLN A 847 -1.610 12.906 -9.520 1.00 22.70 O ATOM 2203 CB GLN A 847 0.001 14.537 -7.665 1.00 21.43 C ATOM 2204 CG GLN A 847 0.283 15.555 -6.557 1.00 31.00 C ATOM 2205 CD GLN A 847 -0.967 16.288 -6.094 1.00 41.70 C ATOM 2206 OE1 GLN A 847 -1.636 15.867 -5.150 1.00 47.39 O ATOM 2207 NE2 GLN A 847 -1.281 17.394 -6.752 1.00 34.85 N ATOM 2208 HE22 GLN A 847 -0.688 17.714 -7.544 1.00 0.00 H ATOM 2209 HE21 GLN A 847 -2.121 17.942 -6.477 1.00 0.00 H ATOM 2210 H GLN A 847 0.679 12.535 -6.028 1.00 0.00 H ATOM 2211 N LEU A 848 -0.933 11.160 -8.276 1.00 20.21 N ATOM 2212 CA LEU A 848 -1.246 10.195 -9.322 1.00 18.92 C ATOM 2213 C LEU A 848 -2.497 9.404 -8.944 1.00 18.48 C ATOM 2214 O LEU A 848 -2.763 9.174 -7.766 1.00 20.12 O ATOM 2215 CB LEU A 848 -0.064 9.246 -9.558 1.00 21.24 C ATOM 2216 CG LEU A 848 1.331 9.825 -9.821 1.00 22.85 C ATOM 2217 CD1 LEU A 848 2.330 8.682 -10.010 1.00 24.99 C ATOM 2218 CD2 LEU A 848 1.339 10.741 -11.036 1.00 24.81 C ATOM 2219 H LEU A 848 -0.510 10.833 -7.384 1.00 0.00 H ATOM 2220 N THR A 849 -3.264 8.992 -9.942 1.00 19.69 N ATOM 2221 CA THR A 849 -4.449 8.175 -9.713 1.00 21.47 C ATOM 2222 C THR A 849 -4.072 6.716 -9.421 1.00 23.37 C ATOM 2223 O THR A 849 -2.937 6.290 -9.676 1.00 20.78 O ATOM 2224 CB THR A 849 -5.354 8.156 -10.939 1.00 25.47 C ATOM 2225 OG1 THR A 849 -4.687 7.445 -11.991 1.00 22.29 O ATOM 2226 CG2 THR A 849 -5.661 9.572 -11.391 1.00 24.91 C ATOM 2227 HG1 THR A 849 -5.266 7.426 -12.794 1.00 0.00 H ATOM 2228 H THR A 849 -3.014 9.259 -10.916 1.00 0.00 H ATOM 2229 N ASP A 850 -5.027 5.947 -8.901 1.00 20.89 N ATOM 2230 CA ASP A 850 -4.788 4.523 -8.671 1.00 23.22 C ATOM 2231 C ASP A 850 -4.325 3.859 -9.963 1.00 19.85 C ATOM 2232 O ASP A 850 -3.378 3.068 -9.952 1.00 19.40 O ATOM 2233 CB ASP A 850 -6.032 3.808 -8.151 1.00 22.63 C ATOM 2234 CG ASP A 850 -6.359 4.177 -6.726 1.00 28.25 C ATOM 2235 OD1 ASP A 850 -5.466 4.730 -6.054 1.00 27.70 O ATOM 2236 OD2 ASP A 850 -7.499 3.898 -6.288 1.00 30.15 O ATOM 2237 H ASP A 850 -5.949 6.362 -8.657 1.00 0.00 H ATOM 2238 N GLU A 851 -4.964 4.227 -11.070 1.00 20.44 N ATOM 2239 CA GLU A 851 -4.629 3.636 -12.368 1.00 22.16 C ATOM 2240 C GLU A 851 -3.188 3.945 -12.793 1.00 20.72 C ATOM 2241 O GLU A 851 -2.490 3.090 -13.358 1.00 21.35 O ATOM 2242 CB GLU A 851 -5.618 4.086 -13.451 1.00 26.21 C ATOM 2243 CG GLU A 851 -5.379 3.419 -14.803 1.00 41.25 C ATOM 2244 CD GLU A 851 -6.231 3.989 -15.919 1.00 62.10 C ATOM 2245 OE1 GLU A 851 -5.816 4.998 -16.529 1.00 70.86 O ATOM 2246 OE2 GLU A 851 -7.308 3.421 -16.198 1.00 69.60 O ATOM 2247 H GLU A 851 -5.713 4.946 -11.013 1.00 0.00 H ATOM 2248 N GLN A 852 -2.736 5.170 -12.540 1.00 24.55 N ATOM 2249 CA GLN A 852 -1.368 5.528 -12.907 1.00 20.93 C ATOM 2250 C GLN A 852 -0.349 4.804 -12.043 1.00 18.90 C ATOM 2251 O GLN A 852 0.752 4.487 -12.501 1.00 18.26 O ATOM 2252 CB GLN A 852 -1.143 7.037 -12.825 1.00 21.57 C ATOM 2253 CG GLN A 852 -1.894 7.830 -13.885 1.00 19.61 C ATOM 2254 CD GLN A 852 -1.801 9.341 -13.672 1.00 22.68 C ATOM 2255 OE1 GLN A 852 -2.091 9.855 -12.586 1.00 23.39 O ATOM 2256 NE2 GLN A 852 -1.381 10.058 -14.710 1.00 22.16 N ATOM 2257 HE22 GLN A 852 -1.147 9.587 -15.607 1.00 0.00 H ATOM 2258 HE21 GLN A 852 -1.286 11.090 -14.625 1.00 0.00 H ATOM 2259 H GLN A 852 -3.354 5.870 -12.083 1.00 0.00 H ATOM 2260 N VAL A 853 -0.695 4.553 -10.783 1.00 18.86 N ATOM 2261 CA VAL A 853 0.192 3.795 -9.917 1.00 19.96 C ATOM 2262 C VAL A 853 0.325 2.355 -10.431 1.00 18.10 C ATOM 2263 O VAL A 853 1.418 1.787 -10.449 1.00 17.73 O ATOM 2264 CB VAL A 853 -0.293 3.831 -8.453 1.00 18.00 C ATOM 2265 CG1 VAL A 853 0.478 2.835 -7.594 1.00 21.55 C ATOM 2266 CG2 VAL A 853 -0.156 5.220 -7.902 1.00 23.47 C ATOM 2267 H VAL A 853 -1.604 4.901 -10.416 1.00 0.00 H ATOM 2268 N ILE A 854 -0.781 1.773 -10.875 1.00 21.24 N ATOM 2269 CA ILE A 854 -0.728 0.425 -11.444 1.00 18.36 C ATOM 2270 C ILE A 854 0.051 0.403 -12.754 1.00 20.03 C ATOM 2271 O ILE A 854 0.860 -0.496 -12.978 1.00 21.84 O ATOM 2272 CB ILE A 854 -2.128 -0.160 -11.601 1.00 22.15 C ATOM 2273 CG1 ILE A 854 -2.698 -0.423 -10.208 1.00 21.00 C ATOM 2274 CG2 ILE A 854 -2.083 -1.472 -12.410 1.00 21.87 C ATOM 2275 CD1 ILE A 854 -4.201 -0.627 -10.182 1.00 28.99 C ATOM 2276 H ILE A 854 -1.689 2.276 -10.819 1.00 0.00 H ATOM 2277 N GLU A 855 -0.156 1.420 -13.585 1.00 20.24 N ATOM 2278 CA GLU A 855 0.619 1.580 -14.821 1.00 25.38 C ATOM 2279 C GLU A 855 2.122 1.707 -14.516 1.00 23.01 C ATOM 2280 O GLU A 855 2.968 1.187 -15.249 1.00 25.18 O ATOM 2281 CB GLU A 855 0.120 2.821 -15.572 1.00 31.79 C ATOM 2282 CG GLU A 855 0.917 3.182 -16.821 1.00 43.88 C ATOM 2283 CD GLU A 855 0.738 4.637 -17.243 1.00 65.78 C ATOM 2284 OE1 GLU A 855 1.393 5.057 -18.223 1.00 74.80 O ATOM 2285 OE2 GLU A 855 -0.054 5.361 -16.598 1.00 63.89 O ATOM 2286 H GLU A 855 -0.888 2.122 -13.353 1.00 0.00 H ATOM 2287 N ASN A 856 2.456 2.398 -13.431 1.00 19.91 N ATOM 2288 CA ASN A 856 3.855 2.513 -13.030 1.00 20.50 C ATOM 2289 C ASN A 856 4.480 1.141 -12.776 1.00 20.23 C ATOM 2290 O ASN A 856 5.631 0.905 -13.147 1.00 19.58 O ATOM 2291 CB ASN A 856 3.997 3.423 -11.788 1.00 17.51 C ATOM 2292 CG ASN A 856 5.425 3.909 -11.551 1.00 17.59 C ATOM 2293 OD1 ASN A 856 6.152 4.263 -12.488 1.00 18.62 O ATOM 2294 ND2 ASN A 856 5.828 3.942 -10.277 1.00 18.05 N ATOM 2295 HD22 ASN A 856 5.184 3.635 -9.520 1.00 0.00 H ATOM 2296 HD21 ASN A 856 6.785 4.274 -10.043 1.00 0.00 H ATOM 2297 H ASN A 856 1.716 2.860 -12.864 1.00 0.00 H ATOM 2298 N ALA A 857 3.743 0.242 -12.113 1.00 18.97 N ATOM 2299 CA ALA A 857 4.236 -1.100 -11.908 1.00 21.86 C ATOM 2300 C ALA A 857 4.578 -1.733 -13.258 1.00 22.08 C ATOM 2301 O ALA A 857 5.613 -2.378 -13.399 1.00 20.60 O ATOM 2302 CB ALA A 857 3.199 -1.941 -11.157 1.00 21.14 C ATOM 2303 H ALA A 857 2.809 0.511 -11.743 1.00 0.00 H ATOM 2304 N GLY A 858 3.707 -1.535 -14.247 1.00 18.81 N ATOM 2305 CA GLY A 858 3.970 -2.002 -15.590 1.00 18.43 C ATOM 2306 C GLY A 858 5.280 -1.461 -16.141 1.00 27.01 C ATOM 2307 O GLY A 858 6.013 -2.180 -16.791 1.00 24.43 O ATOM 2308 H GLY A 858 2.818 -1.033 -14.048 1.00 0.00 H ATOM 2309 N GLU A 859 5.591 -0.203 -15.854 1.00 20.34 N ATOM 2310 CA GLU A 859 6.829 0.390 -16.347 1.00 21.35 C ATOM 2311 C GLU A 859 8.079 -0.161 -15.665 1.00 23.27 C ATOM 2312 O GLU A 859 9.127 -0.269 -16.306 1.00 27.63 O ATOM 2313 CB GLU A 859 6.762 1.918 -16.313 1.00 23.69 C ATOM 2314 CG GLU A 859 5.680 2.500 -17.237 1.00 21.44 C ATOM 2315 CD GLU A 859 6.083 2.520 -18.715 1.00 25.90 C ATOM 2316 OE1 GLU A 859 7.104 1.896 -19.082 1.00 28.26 O ATOM 2317 OE2 GLU A 859 5.378 3.181 -19.506 1.00 31.61 O ATOM 2318 H GLU A 859 4.945 0.366 -15.271 1.00 0.00 H ATOM 2319 N PHE A 860 7.968 -0.546 -14.391 1.00 22.48 N ATOM 2320 CA PHE A 860 9.052 -1.298 -13.750 1.00 21.44 C ATOM 2321 C PHE A 860 9.298 -2.607 -14.507 1.00 22.08 C ATOM 2322 O PHE A 860 10.437 -2.933 -14.852 1.00 24.83 O ATOM 2323 CB PHE A 860 8.775 -1.559 -12.261 1.00 18.16 C ATOM 2324 CG PHE A 860 9.211 -0.431 -11.355 1.00 21.14 C ATOM 2325 CD1 PHE A 860 10.521 -0.347 -10.910 1.00 26.11 C ATOM 2326 CD2 PHE A 860 8.313 0.532 -10.947 1.00 20.71 C ATOM 2327 CE1 PHE A 860 10.934 0.690 -10.077 1.00 22.52 C ATOM 2328 CE2 PHE A 860 8.721 1.573 -10.098 1.00 21.27 C ATOM 2329 CZ PHE A 860 10.028 1.637 -9.663 1.00 21.01 C ATOM 2330 H PHE A 860 7.110 -0.312 -13.852 1.00 0.00 H ATOM 2331 N PHE A 861 8.233 -3.343 -14.788 1.00 20.53 N ATOM 2332 CA PHE A 861 8.401 -4.595 -15.504 1.00 26.69 C ATOM 2333 C PHE A 861 9.041 -4.371 -16.870 1.00 29.38 C ATOM 2334 O PHE A 861 9.941 -5.110 -17.263 1.00 30.24 O ATOM 2335 CB PHE A 861 7.081 -5.348 -15.657 1.00 28.02 C ATOM 2336 CG PHE A 861 7.103 -6.360 -16.760 1.00 29.05 C ATOM 2337 CD1 PHE A 861 7.783 -7.558 -16.607 1.00 32.66 C ATOM 2338 CD2 PHE A 861 6.475 -6.099 -17.961 1.00 22.04 C ATOM 2339 CE1 PHE A 861 7.812 -8.489 -17.630 1.00 30.79 C ATOM 2340 CE2 PHE A 861 6.504 -7.028 -19.004 1.00 29.41 C ATOM 2341 CZ PHE A 861 7.179 -8.221 -18.836 1.00 33.24 C ATOM 2342 H PHE A 861 7.285 -3.027 -14.498 1.00 0.00 H ATOM 2343 N ARG A 862 8.593 -3.344 -17.590 1.00 24.37 N ATOM 2344 CA ARG A 862 9.040 -3.133 -18.965 1.00 30.29 C ATOM 2345 C ARG A 862 10.506 -2.721 -19.002 1.00 23.11 C ATOM 2346 O ARG A 862 11.252 -3.093 -19.907 1.00 25.50 O ATOM 2347 CB ARG A 862 8.173 -2.077 -19.644 1.00 27.52 C ATOM 2348 CG ARG A 862 6.748 -2.529 -19.884 1.00 24.88 C ATOM 2349 CD ARG A 862 5.850 -1.379 -20.286 1.00 38.33 C ATOM 2350 NE ARG A 862 4.448 -1.787 -20.276 1.00 48.87 N ATOM 2351 CZ ARG A 862 3.459 -1.078 -20.807 1.00 56.94 C ATOM 2352 NH1 ARG A 862 3.713 0.081 -21.401 1.00 55.55 N ATOM 2353 NH2 ARG A 862 2.214 -1.532 -20.749 1.00 61.26 N ATOM 2354 HE ARG A 862 4.208 -2.692 -19.823 1.00 0.00 H ATOM 2355 HH12 ARG A 862 2.936 0.634 -21.816 1.00 0.00 H ATOM 2356 HH11 ARG A 862 4.689 0.436 -21.452 1.00 0.00 H ATOM 2357 HH22 ARG A 862 1.438 -0.978 -21.165 1.00 0.00 H ATOM 2358 HH21 ARG A 862 2.013 -2.442 -20.288 1.00 0.00 H ATOM 2359 H ARG A 862 7.913 -2.681 -17.166 1.00 0.00 H ATOM 2360 N ASP A 863 10.891 -1.931 -18.003 1.00 29.39 N ATOM 2361 CA ASP A 863 12.280 -1.557 -17.758 1.00 29.40 C ATOM 2362 C ASP A 863 12.874 -0.753 -18.900 1.00 29.11 C ATOM 2363 O ASP A 863 13.970 -1.044 -19.375 1.00 36.60 O ATOM 2364 CB ASP A 863 13.133 -2.791 -17.464 1.00 42.71 C ATOM 2365 CG ASP A 863 14.306 -2.484 -16.563 1.00 41.12 C ATOM 2366 OD1 ASP A 863 14.342 -1.374 -15.992 1.00 42.40 O ATOM 2367 OD2 ASP A 863 15.180 -3.360 -16.410 1.00 41.90 O ATOM 2368 H ASP A 863 10.162 -1.560 -17.361 1.00 0.00 H ATOM 2369 N GLN A 864 12.138 0.262 -19.338 1.00 27.88 N ATOM 2370 CA GLN A 864 12.590 1.119 -20.425 1.00 27.17 C ATOM 2371 C GLN A 864 12.907 2.529 -19.930 1.00 27.40 C ATOM 2372 O GLN A 864 13.003 3.466 -20.727 1.00 29.13 O ATOM 2373 CB GLN A 864 11.546 1.172 -21.543 1.00 32.19 C ATOM 2374 CG GLN A 864 10.967 -0.190 -21.942 1.00 40.17 C ATOM 2375 CD GLN A 864 11.876 -0.986 -22.866 1.00 51.30 C ATOM 2376 OE1 GLN A 864 13.099 -0.857 -22.822 1.00 54.67 O ATOM 2377 NE2 GLN A 864 11.275 -1.813 -23.715 1.00 52.66 N ATOM 2378 HE22 GLN A 864 10.238 -1.891 -23.719 1.00 0.00 H ATOM 2379 HE21 GLN A 864 11.842 -2.382 -24.376 1.00 0.00 H ATOM 2380 H GLN A 864 11.216 0.449 -18.894 1.00 0.00 H ATOM 2381 N GLY A 865 13.059 2.657 -18.615 1.00 27.61 N ATOM 2382 CA GLY A 865 13.445 3.916 -17.999 1.00 30.08 C ATOM 2383 C GLY A 865 12.302 4.894 -17.850 1.00 29.93 C ATOM 2384 O GLY A 865 12.508 6.106 -17.787 1.00 30.01 O ATOM 2385 H GLY A 865 12.896 1.829 -18.007 1.00 0.00 H ATOM 2386 N ARG A 866 11.086 4.373 -17.786 1.00 26.70 N ATOM 2387 CA ARG A 866 9.918 5.232 -17.686 1.00 27.36 C ATOM 2388 C ARG A 866 9.252 5.127 -16.323 1.00 21.74 C ATOM 2389 O ARG A 866 8.361 5.905 -16.021 1.00 21.50 O ATOM 2390 CB ARG A 866 8.919 4.940 -18.807 1.00 29.42 C ATOM 2391 CG ARG A 866 9.343 5.474 -20.167 1.00 29.73 C ATOM 2392 CD ARG A 866 8.317 5.130 -21.233 1.00 40.14 C ATOM 2393 NE ARG A 866 8.048 3.696 -21.289 1.00 43.19 N ATOM 2394 CZ ARG A 866 8.367 2.909 -22.311 1.00 38.58 C ATOM 2395 NH1 ARG A 866 8.963 3.412 -23.385 1.00 40.07 N ATOM 2396 NH2 ARG A 866 8.076 1.617 -22.258 1.00 36.14 N ATOM 2397 HE ARG A 866 7.574 3.260 -20.472 1.00 0.00 H ATOM 2398 HH12 ARG A 866 9.210 2.791 -24.182 1.00 0.00 H ATOM 2399 HH11 ARG A 866 9.183 4.427 -23.430 1.00 0.00 H ATOM 2400 HH22 ARG A 866 8.323 0.995 -23.054 1.00 0.00 H ATOM 2401 HH21 ARG A 866 7.601 1.225 -21.420 1.00 0.00 H ATOM 2402 H ARG A 866 10.966 3.340 -17.807 1.00 0.00 H ATOM 2403 N GLN A 867 9.694 4.174 -15.512 1.00 21.44 N ATOM 2404 CA GLN A 867 9.172 4.033 -14.159 1.00 18.59 C ATOM 2405 C GLN A 867 9.510 5.249 -13.300 1.00 18.90 C ATOM 2406 O GLN A 867 10.550 5.876 -13.471 1.00 21.17 O ATOM 2407 CB GLN A 867 9.698 2.747 -13.498 1.00 22.64 C ATOM 2408 CG GLN A 867 11.189 2.751 -13.158 1.00 24.47 C ATOM 2409 CD GLN A 867 12.108 2.532 -14.349 1.00 40.52 C ATOM 2410 OE1 GLN A 867 11.669 2.199 -15.457 1.00 36.46 O ATOM 2411 NE2 GLN A 867 13.404 2.719 -14.120 1.00 48.03 N ATOM 2412 HE22 GLN A 867 13.730 2.999 -13.173 1.00 0.00 H ATOM 2413 HE21 GLN A 867 14.092 2.585 -14.888 1.00 0.00 H ATOM 2414 H GLN A 867 10.426 3.516 -15.848 1.00 0.00 H ATOM 2415 N VAL A 868 8.625 5.573 -12.358 1.00 16.50 N ATOM 2416 CA VAL A 868 8.858 6.710 -11.483 1.00 19.78 C ATOM 2417 C VAL A 868 8.833 6.316 -10.026 1.00 17.37 C ATOM 2418 O VAL A 868 8.251 5.286 -9.633 1.00 16.18 O ATOM 2419 CB VAL A 868 7.856 7.854 -11.728 1.00 17.90 C ATOM 2420 CG1 VAL A 868 7.947 8.306 -13.165 1.00 17.48 C ATOM 2421 CG2 VAL A 868 6.430 7.417 -11.352 1.00 20.48 C ATOM 2422 H VAL A 868 7.759 5.007 -12.248 1.00 0.00 H ATOM 2423 N TYR A 869 9.472 7.170 -9.233 1.00 15.48 N ATOM 2424 CA TYR A 869 9.713 6.936 -7.818 1.00 14.09 C ATOM 2425 C TYR A 869 9.188 8.080 -6.988 1.00 16.78 C ATOM 2426 O TYR A 869 8.985 9.191 -7.477 1.00 18.79 O ATOM 2427 CB TYR A 869 11.220 6.806 -7.557 1.00 14.77 C ATOM 2428 CG TYR A 869 11.887 5.703 -8.358 1.00 15.76 C ATOM 2429 CD1 TYR A 869 12.330 5.940 -9.653 1.00 19.63 C ATOM 2430 CD2 TYR A 869 12.074 4.434 -7.818 1.00 21.66 C ATOM 2431 CE1 TYR A 869 12.929 4.949 -10.399 1.00 22.25 C ATOM 2432 CE2 TYR A 869 12.683 3.433 -8.555 1.00 20.14 C ATOM 2433 CZ TYR A 869 13.108 3.699 -9.841 1.00 22.39 C ATOM 2434 OH TYR A 869 13.707 2.713 -10.587 1.00 23.92 O ATOM 2435 HH TYR A 869 14.525 2.402 -10.125 1.00 0.00 H ATOM 2436 H TYR A 869 9.820 8.058 -9.649 1.00 0.00 H ATOM 2437 N LEU A 870 8.968 7.786 -5.716 1.00 14.46 N ATOM 2438 CA LEU A 870 8.627 8.820 -4.750 1.00 14.39 C ATOM 2439 C LEU A 870 9.791 9.774 -4.687 1.00 18.02 C ATOM 2440 O LEU A 870 10.944 9.344 -4.786 1.00 18.71 O ATOM 2441 CB LEU A 870 8.424 8.186 -3.380 1.00 13.86 C ATOM 2442 CG LEU A 870 7.236 7.216 -3.338 1.00 12.88 C ATOM 2443 CD1 LEU A 870 7.176 6.547 -1.980 1.00 15.25 C ATOM 2444 CD2 LEU A 870 5.946 7.961 -3.626 1.00 15.93 C ATOM 2445 H LEU A 870 9.040 6.797 -5.401 1.00 0.00 H ATOM 2446 N SER A 871 9.495 11.059 -4.509 1.00 14.77 N ATOM 2447 CA SER A 871 10.542 12.086 -4.447 1.00 15.44 C ATOM 2448 C SER A 871 11.147 12.223 -3.043 1.00 15.72 C ATOM 2449 O SER A 871 10.600 11.705 -2.050 1.00 18.02 O ATOM 2450 CB SER A 871 9.990 13.437 -4.889 1.00 20.80 C ATOM 2451 OG SER A 871 9.461 13.348 -6.196 1.00 20.86 O ATOM 2452 HG SER A 871 9.107 14.232 -6.468 1.00 0.00 H ATOM 2453 H SER A 871 8.499 11.342 -4.412 1.00 0.00 H ATOM 2454 N ARG A 872 12.285 12.914 -2.965 1.00 17.99 N ATOM 2455 CA ARG A 872 13.003 13.050 -1.709 1.00 18.69 C ATOM 2456 C ARG A 872 12.277 13.987 -0.761 1.00 23.31 C ATOM 2457 O ARG A 872 12.042 15.145 -1.102 1.00 24.38 O ATOM 2458 CB ARG A 872 14.416 13.572 -1.941 1.00 19.16 C ATOM 2459 CG ARG A 872 15.196 13.698 -0.657 1.00 22.99 C ATOM 2460 CD ARG A 872 16.660 13.923 -0.926 1.00 19.50 C ATOM 2461 NE ARG A 872 16.913 15.195 -1.598 1.00 22.70 N ATOM 2462 CZ ARG A 872 17.152 16.334 -0.965 1.00 33.33 C ATOM 2463 NH1 ARG A 872 17.155 16.361 0.363 1.00 34.10 N ATOM 2464 NH2 ARG A 872 17.371 17.448 -1.663 1.00 34.01 N ATOM 2465 HE ARG A 872 16.905 15.207 -2.638 1.00 0.00 H ATOM 2466 HH12 ARG A 872 17.342 17.253 0.865 1.00 0.00 H ATOM 2467 HH11 ARG A 872 16.970 15.490 0.901 1.00 0.00 H ATOM 2468 HH22 ARG A 872 17.559 18.343 -1.168 1.00 0.00 H ATOM 2469 HH21 ARG A 872 17.354 17.422 -2.703 1.00 0.00 H ATOM 2470 H ARG A 872 12.667 13.365 -3.821 1.00 0.00 H ATOM 2471 N PRO A 873 11.911 13.490 0.429 1.00 18.33 N ATOM 2472 CA PRO A 873 11.267 14.398 1.395 1.00 20.57 C ATOM 2473 C PRO A 873 12.208 15.528 1.807 1.00 18.29 C ATOM 2474 O PRO A 873 13.429 15.350 1.794 1.00 23.92 O ATOM 2475 CB PRO A 873 10.956 13.476 2.584 1.00 17.14 C ATOM 2476 CG PRO A 873 10.800 12.129 1.955 1.00 19.53 C ATOM 2477 CD PRO A 873 11.875 12.092 0.890 1.00 21.39 C ATOM 2478 N PRO A 874 11.652 16.708 2.120 1.00 24.89 N ATOM 2479 CA PRO A 874 12.438 17.845 2.619 1.00 24.90 C ATOM 2480 C PRO A 874 13.308 17.466 3.820 1.00 20.08 C ATOM 2481 O PRO A 874 14.457 17.875 3.890 1.00 25.15 O ATOM 2482 CB PRO A 874 11.357 18.839 3.030 1.00 28.76 C ATOM 2483 CG PRO A 874 10.265 18.592 2.052 1.00 30.28 C ATOM 2484 CD PRO A 874 10.267 17.098 1.812 1.00 22.03 C ATOM 2485 N ALA A 875 12.767 16.648 4.720 1.00 20.74 N ATOM 2486 CA ALA A 875 13.504 16.230 5.908 1.00 23.13 C ATOM 2487 C ALA A 875 14.505 15.111 5.653 1.00 22.93 C ATOM 2488 O ALA A 875 15.149 14.647 6.584 1.00 23.80 O ATOM 2489 CB ALA A 875 12.529 15.799 7.010 1.00 20.06 C ATOM 2490 H ALA A 875 11.798 16.299 4.573 1.00 0.00 H ATOM 2491 N CYS A 876 14.634 14.670 4.407 1.00 23.68 N ATOM 2492 CA CYS A 876 15.460 13.501 4.120 1.00 20.39 C ATOM 2493 C CYS A 876 16.738 13.873 3.378 1.00 25.06 C ATOM 2494 O CYS A 876 16.675 14.387 2.273 1.00 23.53 O ATOM 2495 CB CYS A 876 14.658 12.511 3.279 1.00 21.12 C ATOM 2496 SG CYS A 876 15.578 11.028 2.765 1.00 20.35 S ATOM 2497 H CYS A 876 14.144 15.160 3.632 1.00 0.00 H ATOM 2498 N PRO A 877 17.909 13.612 3.986 1.00 21.98 N ATOM 2499 CA PRO A 877 19.197 13.850 3.316 1.00 26.88 C ATOM 2500 C PRO A 877 19.386 12.908 2.126 1.00 24.28 C ATOM 2501 O PRO A 877 18.738 11.860 2.064 1.00 22.32 O ATOM 2502 CB PRO A 877 20.228 13.531 4.402 1.00 29.20 C ATOM 2503 CG PRO A 877 19.464 13.551 5.693 1.00 29.85 C ATOM 2504 CD PRO A 877 18.086 13.089 5.347 1.00 20.30 C ATOM 2505 N GLN A 878 20.266 13.278 1.200 1.00 23.47 N ATOM 2506 CA GLN A 878 20.421 12.527 -0.043 1.00 19.09 C ATOM 2507 C GLN A 878 20.899 11.095 0.170 1.00 22.57 C ATOM 2508 O GLN A 878 20.430 10.179 -0.504 1.00 25.04 O ATOM 2509 CB GLN A 878 21.365 13.273 -0.993 1.00 22.72 C ATOM 2510 CG GLN A 878 21.737 12.507 -2.251 1.00 25.81 C ATOM 2511 CD GLN A 878 20.551 12.257 -3.169 1.00 31.61 C ATOM 2512 OE1 GLN A 878 19.543 12.967 -3.116 1.00 31.56 O ATOM 2513 NE2 GLN A 878 20.667 11.236 -4.023 1.00 32.20 N ATOM 2514 HE22 GLN A 878 21.535 10.663 -4.034 1.00 0.00 H ATOM 2515 HE21 GLN A 878 19.889 11.014 -4.677 1.00 0.00 H ATOM 2516 H GLN A 878 20.856 14.119 1.364 1.00 0.00 H ATOM 2517 N GLY A 879 21.827 10.898 1.102 1.00 28.94 N ATOM 2518 CA GLY A 879 22.316 9.567 1.423 1.00 32.40 C ATOM 2519 C GLY A 879 21.216 8.616 1.866 1.00 25.48 C ATOM 2520 O GLY A 879 21.149 7.457 1.444 1.00 22.71 O ATOM 2521 H GLY A 879 22.213 11.717 1.614 1.00 0.00 H ATOM 2522 N LEU A 880 20.327 9.123 2.710 1.00 22.24 N ATOM 2523 CA LEU A 880 19.204 8.341 3.173 1.00 20.65 C ATOM 2524 C LEU A 880 18.228 8.079 2.019 1.00 22.84 C ATOM 2525 O LEU A 880 17.626 7.018 1.932 1.00 21.57 O ATOM 2526 CB LEU A 880 18.501 9.057 4.329 1.00 22.98 C ATOM 2527 CG LEU A 880 17.285 8.341 4.904 1.00 20.76 C ATOM 2528 CD1 LEU A 880 17.671 6.934 5.322 1.00 25.05 C ATOM 2529 CD2 LEU A 880 16.725 9.123 6.085 1.00 28.54 C ATOM 2530 H LEU A 880 20.441 10.101 3.044 1.00 0.00 H ATOM 2531 N TYR A 881 18.099 9.038 1.111 1.00 19.39 N ATOM 2532 CA TYR A 881 17.193 8.879 -0.016 1.00 19.01 C ATOM 2533 C TYR A 881 17.703 7.815 -0.969 1.00 21.36 C ATOM 2534 O TYR A 881 16.927 7.055 -1.548 1.00 20.33 O ATOM 2535 CB TYR A 881 17.044 10.199 -0.759 1.00 17.66 C ATOM 2536 CG TYR A 881 16.114 10.142 -1.946 1.00 16.29 C ATOM 2537 CD1 TYR A 881 14.759 9.850 -1.780 1.00 17.86 C ATOM 2538 CD2 TYR A 881 16.574 10.431 -3.226 1.00 19.20 C ATOM 2539 CE1 TYR A 881 13.903 9.816 -2.846 1.00 17.65 C ATOM 2540 CE2 TYR A 881 15.717 10.394 -4.314 1.00 20.08 C ATOM 2541 CZ TYR A 881 14.385 10.084 -4.115 1.00 18.81 C ATOM 2542 OH TYR A 881 13.507 10.062 -5.173 1.00 19.50 O ATOM 2543 HH TYR A 881 12.604 9.822 -4.846 1.00 0.00 H ATOM 2544 H TYR A 881 18.652 9.914 1.206 1.00 0.00 H ATOM 2545 N GLU A 882 19.016 7.767 -1.135 1.00 22.68 N ATOM 2546 CA GLU A 882 19.634 6.714 -1.932 1.00 17.47 C ATOM 2547 C GLU A 882 19.385 5.316 -1.366 1.00 18.47 C ATOM 2548 O GLU A 882 19.251 4.371 -2.124 1.00 20.90 O ATOM 2549 CB GLU A 882 21.126 6.987 -2.099 1.00 21.55 C ATOM 2550 CG GLU A 882 21.378 8.216 -2.945 1.00 26.46 C ATOM 2551 CD GLU A 882 22.814 8.689 -2.890 1.00 43.50 C ATOM 2552 OE1 GLU A 882 23.588 8.165 -2.062 1.00 49.96 O ATOM 2553 OE2 GLU A 882 23.161 9.592 -3.676 1.00 48.60 O ATOM 2554 H GLU A 882 19.615 8.491 -0.690 1.00 0.00 H ATOM 2555 N LEU A 883 19.302 5.193 -0.044 1.00 20.21 N ATOM 2556 CA LEU A 883 18.915 3.931 0.570 1.00 24.50 C ATOM 2557 C LEU A 883 17.450 3.584 0.258 1.00 19.19 C ATOM 2558 O LEU A 883 17.143 2.432 -0.078 1.00 17.15 O ATOM 2559 CB LEU A 883 19.129 3.995 2.073 1.00 25.55 C ATOM 2560 CG LEU A 883 18.779 2.707 2.811 1.00 21.75 C ATOM 2561 CD1 LEU A 883 19.745 1.581 2.448 1.00 23.48 C ATOM 2562 CD2 LEU A 883 18.779 2.986 4.299 1.00 24.86 C ATOM 2563 H LEU A 883 19.517 6.011 0.561 1.00 0.00 H ATOM 2564 N MET A 884 16.557 4.573 0.356 1.00 19.95 N ATOM 2565 CA MET A 884 15.154 4.403 -0.043 1.00 17.07 C ATOM 2566 C MET A 884 15.050 3.874 -1.482 1.00 19.02 C ATOM 2567 O MET A 884 14.323 2.921 -1.751 1.00 20.00 O ATOM 2568 CB MET A 884 14.354 5.713 0.037 1.00 22.95 C ATOM 2569 CG MET A 884 14.062 6.257 1.418 1.00 25.91 C ATOM 2570 SD MET A 884 13.068 7.775 1.296 1.00 29.68 S ATOM 2571 CE MET A 884 13.148 8.362 2.984 1.00 26.14 C ATOM 2572 H MET A 884 16.866 5.494 0.727 1.00 0.00 H ATOM 2573 N LEU A 885 15.773 4.516 -2.396 1.00 18.28 N ATOM 2574 CA LEU A 885 15.743 4.151 -3.801 1.00 18.15 C ATOM 2575 C LEU A 885 16.116 2.684 -3.996 1.00 20.59 C ATOM 2576 O LEU A 885 15.535 2.011 -4.847 1.00 25.41 O ATOM 2577 CB LEU A 885 16.674 5.056 -4.628 1.00 19.07 C ATOM 2578 CG LEU A 885 16.139 6.480 -4.849 1.00 19.34 C ATOM 2579 CD1 LEU A 885 17.152 7.374 -5.584 1.00 23.70 C ATOM 2580 CD2 LEU A 885 14.830 6.423 -5.612 1.00 20.05 C ATOM 2581 H LEU A 885 16.379 5.305 -2.094 1.00 0.00 H ATOM 2582 N ARG A 886 17.063 2.196 -3.192 1.00 19.01 N ATOM 2583 CA ARG A 886 17.504 0.814 -3.276 1.00 18.69 C ATOM 2584 C ARG A 886 16.400 -0.157 -2.875 1.00 19.35 C ATOM 2585 O ARG A 886 16.321 -1.240 -3.419 1.00 16.19 O ATOM 2586 CB ARG A 886 18.756 0.571 -2.436 1.00 21.05 C ATOM 2587 CG ARG A 886 20.015 1.207 -3.018 1.00 26.02 C ATOM 2588 CD ARG A 886 21.236 0.643 -2.315 1.00 35.27 C ATOM 2589 NE ARG A 886 21.236 -0.815 -2.410 1.00 42.14 N ATOM 2590 CZ ARG A 886 21.616 -1.633 -1.436 1.00 49.56 C ATOM 2591 NH1 ARG A 886 21.569 -2.948 -1.621 1.00 46.18 N ATOM 2592 NH2 ARG A 886 22.043 -1.140 -0.280 1.00 50.37 N ATOM 2593 HE ARG A 886 20.916 -1.242 -3.303 1.00 0.00 H ATOM 2594 HH12 ARG A 886 21.866 -3.591 -0.860 1.00 0.00 H ATOM 2595 HH11 ARG A 886 21.235 -3.334 -2.527 1.00 0.00 H ATOM 2596 HH22 ARG A 886 22.340 -1.783 0.482 1.00 0.00 H ATOM 2597 HH21 ARG A 886 22.080 -0.111 -0.136 1.00 0.00 H ATOM 2598 H ARG A 886 17.498 2.823 -2.485 1.00 0.00 H ATOM 2599 N CYS A 887 15.537 0.256 -1.954 1.00 17.07 N ATOM 2600 CA CYS A 887 14.368 -0.546 -1.570 1.00 15.09 C ATOM 2601 C CYS A 887 13.379 -0.725 -2.721 1.00 17.42 C ATOM 2602 O CYS A 887 12.540 -1.632 -2.684 1.00 16.02 O ATOM 2603 CB CYS A 887 13.630 0.094 -0.393 1.00 15.40 C ATOM 2604 SG CYS A 887 14.566 0.193 1.134 1.00 18.25 S ATOM 2605 H CYS A 887 15.693 1.174 -1.491 1.00 0.00 H ATOM 2606 N TRP A 888 13.476 0.146 -3.726 1.00 17.78 N ATOM 2607 CA TRP A 888 12.545 0.173 -4.841 1.00 18.57 C ATOM 2608 C TRP A 888 13.221 -0.353 -6.110 1.00 18.55 C ATOM 2609 O TRP A 888 12.762 -0.131 -7.231 1.00 21.64 O ATOM 2610 CB TRP A 888 12.003 1.581 -5.039 1.00 19.22 C ATOM 2611 CG TRP A 888 11.323 2.098 -3.810 1.00 15.06 C ATOM 2612 CD1 TRP A 888 10.554 1.381 -2.927 1.00 14.37 C ATOM 2613 CD2 TRP A 888 11.358 3.440 -3.317 1.00 16.52 C ATOM 2614 NE1 TRP A 888 10.098 2.208 -1.936 1.00 15.05 N ATOM 2615 CE2 TRP A 888 10.582 3.476 -2.142 1.00 13.13 C ATOM 2616 CE3 TRP A 888 11.965 4.619 -3.763 1.00 18.45 C ATOM 2617 CZ2 TRP A 888 10.391 4.642 -1.406 1.00 14.48 C ATOM 2618 CZ3 TRP A 888 11.791 5.775 -3.022 1.00 16.86 C ATOM 2619 CH2 TRP A 888 11.009 5.780 -1.858 1.00 17.91 C ATOM 2620 HE1 TRP A 888 9.481 1.920 -1.150 1.00 0.00 H ATOM 2621 H TRP A 888 14.253 0.837 -3.711 1.00 0.00 H ATOM 2622 N SER A 889 14.300 -1.097 -5.917 1.00 16.32 N ATOM 2623 CA SER A 889 15.001 -1.698 -7.055 1.00 18.88 C ATOM 2624 C SER A 889 14.082 -2.656 -7.783 1.00 17.78 C ATOM 2625 O SER A 889 13.315 -3.374 -7.146 1.00 21.72 O ATOM 2626 CB SER A 889 16.239 -2.448 -6.600 1.00 23.24 C ATOM 2627 OG SER A 889 17.173 -1.580 -5.995 1.00 24.80 O ATOM 2628 HG SER A 889 17.447 -0.886 -6.646 1.00 0.00 H ATOM 2629 H SER A 889 14.652 -1.256 -4.951 1.00 0.00 H ATOM 2630 N ARG A 890 14.160 -2.655 -9.116 1.00 21.69 N ATOM 2631 CA ARG A 890 13.366 -3.572 -9.933 1.00 23.82 C ATOM 2632 C ARG A 890 13.657 -5.029 -9.563 1.00 20.79 C ATOM 2633 O ARG A 890 12.740 -5.832 -9.343 1.00 24.46 O ATOM 2634 CB ARG A 890 13.615 -3.337 -11.425 1.00 22.81 C ATOM 2635 CG ARG A 890 12.861 -4.310 -12.295 1.00 23.88 C ATOM 2636 CD ARG A 890 13.240 -4.154 -13.752 1.00 33.14 C ATOM 2637 NE ARG A 890 12.299 -4.867 -14.605 1.00 28.20 N ATOM 2638 CZ ARG A 890 12.332 -6.178 -14.822 1.00 43.01 C ATOM 2639 NH1 ARG A 890 13.254 -6.928 -14.235 1.00 51.09 N ATOM 2640 NH2 ARG A 890 11.436 -6.743 -15.619 1.00 41.69 N ATOM 2641 HE ARG A 890 11.553 -4.315 -15.075 1.00 0.00 H ATOM 2642 HH12 ARG A 890 13.277 -7.953 -14.407 1.00 0.00 H ATOM 2643 HH11 ARG A 890 13.954 -6.491 -13.602 1.00 0.00 H ATOM 2644 HH22 ARG A 890 11.463 -7.769 -15.788 1.00 0.00 H ATOM 2645 HH21 ARG A 890 10.706 -6.160 -16.076 1.00 0.00 H ATOM 2646 H ARG A 890 14.802 -1.985 -9.585 1.00 0.00 H ATOM 2647 N GLU A 891 14.936 -5.362 -9.450 1.00 24.45 N ATOM 2648 CA GLU A 891 15.327 -6.711 -9.065 1.00 24.61 C ATOM 2649 C GLU A 891 15.250 -6.889 -7.558 1.00 21.63 C ATOM 2650 O GLU A 891 15.911 -6.178 -6.797 1.00 25.77 O ATOM 2651 CB GLU A 891 16.735 -7.060 -9.558 1.00 27.81 C ATOM 2652 CG GLU A 891 16.988 -6.790 -11.046 1.00 39.49 C ATOM 2653 CD GLU A 891 15.890 -7.324 -11.949 1.00 39.66 C ATOM 2654 OE1 GLU A 891 15.443 -8.473 -11.740 1.00 40.16 O ATOM 2655 OE2 GLU A 891 15.469 -6.584 -12.865 1.00 38.57 O ATOM 2656 H GLU A 891 15.670 -4.650 -9.639 1.00 0.00 H ATOM 2657 N SER A 892 14.416 -7.829 -7.148 1.00 22.64 N ATOM 2658 CA SER A 892 14.189 -8.154 -5.739 1.00 21.11 C ATOM 2659 C SER A 892 15.471 -8.387 -4.932 1.00 29.81 C ATOM 2660 O SER A 892 15.596 -7.912 -3.796 1.00 27.62 O ATOM 2661 CB SER A 892 13.290 -9.378 -5.642 1.00 26.48 C ATOM 2662 OG SER A 892 11.966 -9.031 -5.989 1.00 29.39 O ATOM 2663 HG SER A 892 11.949 -8.685 -6.917 1.00 0.00 H ATOM 2664 H SER A 892 13.892 -8.368 -7.867 1.00 0.00 H ATOM 2665 N GLU A 893 16.414 -9.126 -5.512 1.00 29.20 N ATOM 2666 CA GLU A 893 17.636 -9.480 -4.798 1.00 35.12 C ATOM 2667 C GLU A 893 18.581 -8.295 -4.584 1.00 30.78 C ATOM 2668 O GLU A 893 19.513 -8.382 -3.789 1.00 37.96 O ATOM 2669 CB GLU A 893 18.367 -10.638 -5.494 1.00 47.39 C ATOM 2670 CG GLU A 893 18.949 -10.296 -6.851 1.00 59.48 C ATOM 2671 CD GLU A 893 17.904 -10.251 -7.960 1.00 71.35 C ATOM 2672 OE1 GLU A 893 16.698 -10.426 -7.672 1.00 65.94 O ATOM 2673 OE2 GLU A 893 18.296 -10.043 -9.129 1.00 79.94 O ATOM 2674 H GLU A 893 16.278 -9.456 -6.489 1.00 0.00 H ATOM 2675 N GLN A 894 18.328 -7.179 -5.264 1.00 27.66 N ATOM 2676 CA GLN A 894 19.145 -5.980 -5.053 1.00 28.42 C ATOM 2677 C GLN A 894 18.575 -5.024 -3.989 1.00 28.63 C ATOM 2678 O GLN A 894 19.203 -4.018 -3.642 1.00 28.47 O ATOM 2679 CB GLN A 894 19.382 -5.258 -6.379 1.00 35.99 C ATOM 2680 CG GLN A 894 20.046 -6.144 -7.421 1.00 39.92 C ATOM 2681 CD GLN A 894 20.076 -5.513 -8.797 1.00 44.55 C ATOM 2682 OE1 GLN A 894 19.670 -4.366 -8.977 1.00 47.95 O ATOM 2683 NE2 GLN A 894 20.558 -6.264 -9.781 1.00 48.68 N ATOM 2684 HE22 GLN A 894 20.891 -7.229 -9.583 1.00 0.00 H ATOM 2685 HE21 GLN A 894 20.603 -5.887 -10.749 1.00 0.00 H ATOM 2686 H GLN A 894 17.546 -7.157 -5.949 1.00 0.00 H ATOM 2687 N ARG A 895 17.393 -5.332 -3.466 1.00 24.32 N ATOM 2688 CA ARG A 895 16.823 -4.530 -2.390 1.00 25.54 C ATOM 2689 C ARG A 895 17.562 -4.913 -1.111 1.00 20.57 C ATOM 2690 O ARG A 895 17.823 -6.087 -0.878 1.00 27.04 O ATOM 2691 CB ARG A 895 15.310 -4.767 -2.278 1.00 21.99 C ATOM 2692 CG ARG A 895 14.565 -4.447 -3.588 1.00 17.02 C ATOM 2693 CD ARG A 895 13.088 -4.820 -3.554 1.00 22.01 C ATOM 2694 NE ARG A 895 12.513 -4.733 -4.894 1.00 16.84 N ATOM 2695 CZ ARG A 895 11.386 -5.326 -5.269 1.00 19.70 C ATOM 2696 NH1 ARG A 895 10.695 -6.053 -4.403 1.00 15.86 N ATOM 2697 NH2 ARG A 895 10.967 -5.209 -6.528 1.00 18.78 N ATOM 2698 HE ARG A 895 13.022 -4.167 -5.603 1.00 0.00 H ATOM 2699 HH12 ARG A 895 9.813 -6.516 -4.700 1.00 0.00 H ATOM 2700 HH11 ARG A 895 11.035 -6.160 -3.426 1.00 0.00 H ATOM 2701 HH22 ARG A 895 10.085 -5.671 -6.828 1.00 0.00 H ATOM 2702 HH21 ARG A 895 11.522 -4.655 -7.211 1.00 0.00 H ATOM 2703 H ARG A 895 16.869 -6.154 -3.828 1.00 0.00 H ATOM 2704 N PRO A 896 17.930 -3.912 -0.293 1.00 21.58 N ATOM 2705 CA PRO A 896 18.721 -4.177 0.919 1.00 21.95 C ATOM 2706 C PRO A 896 17.958 -5.052 1.902 1.00 28.10 C ATOM 2707 O PRO A 896 16.757 -4.845 2.100 1.00 25.48 O ATOM 2708 CB PRO A 896 18.882 -2.782 1.546 1.00 23.70 C ATOM 2709 CG PRO A 896 18.563 -1.808 0.433 1.00 25.19 C ATOM 2710 CD PRO A 896 17.523 -2.505 -0.388 1.00 20.82 C ATOM 2711 N PRO A 897 18.642 -6.021 2.520 1.00 21.94 N ATOM 2712 CA PRO A 897 18.001 -6.807 3.576 1.00 26.23 C ATOM 2713 C PRO A 897 17.716 -5.954 4.803 1.00 23.50 C ATOM 2714 O PRO A 897 18.411 -4.967 5.054 1.00 19.80 O ATOM 2715 CB PRO A 897 19.059 -7.854 3.919 1.00 23.31 C ATOM 2716 CG PRO A 897 20.363 -7.183 3.564 1.00 29.04 C ATOM 2717 CD PRO A 897 20.045 -6.422 2.307 1.00 23.98 C ATOM 2718 N PHE A 898 16.705 -6.343 5.565 1.00 19.55 N ATOM 2719 CA PHE A 898 16.331 -5.604 6.763 1.00 21.51 C ATOM 2720 C PHE A 898 17.460 -5.447 7.789 1.00 24.76 C ATOM 2721 O PHE A 898 17.561 -4.412 8.463 1.00 20.21 O ATOM 2722 CB PHE A 898 15.082 -6.212 7.402 1.00 16.87 C ATOM 2723 CG PHE A 898 13.809 -5.830 6.709 1.00 17.30 C ATOM 2724 CD1 PHE A 898 13.397 -4.503 6.705 1.00 16.23 C ATOM 2725 CD2 PHE A 898 13.016 -6.782 6.068 1.00 16.66 C ATOM 2726 CE1 PHE A 898 12.226 -4.131 6.072 1.00 16.64 C ATOM 2727 CE2 PHE A 898 11.840 -6.424 5.453 1.00 18.49 C ATOM 2728 CZ PHE A 898 11.443 -5.089 5.437 1.00 14.58 C ATOM 2729 H PHE A 898 16.167 -7.194 5.303 1.00 0.00 H ATOM 2730 N SER A 899 18.317 -6.454 7.896 1.00 22.04 N ATOM 2731 CA SER A 899 19.469 -6.357 8.787 1.00 24.35 C ATOM 2732 C SER A 899 20.350 -5.164 8.409 1.00 25.75 C ATOM 2733 O SER A 899 20.851 -4.452 9.283 1.00 26.28 O ATOM 2734 CB SER A 899 20.280 -7.655 8.785 1.00 25.89 C ATOM 2735 OG SER A 899 20.750 -7.943 7.483 1.00 23.04 O ATOM 2736 HG SER A 899 21.272 -8.784 7.500 1.00 0.00 H ATOM 2737 H SER A 899 18.167 -7.320 7.340 1.00 0.00 H ATOM 2738 N GLN A 900 20.517 -4.919 7.111 1.00 18.92 N ATOM 2739 CA GLN A 900 21.263 -3.740 6.676 1.00 22.13 C ATOM 2740 C GLN A 900 20.493 -2.433 6.828 1.00 19.26 C ATOM 2741 O GLN A 900 21.095 -1.406 7.149 1.00 23.16 O ATOM 2742 CB GLN A 900 21.764 -3.879 5.236 1.00 28.10 C ATOM 2743 CG GLN A 900 22.987 -4.794 5.074 1.00 36.44 C ATOM 2744 CD GLN A 900 24.304 -4.170 5.560 1.00 53.34 C ATOM 2745 OE1 GLN A 900 24.340 -3.432 6.548 1.00 54.32 O ATOM 2746 NE2 GLN A 900 25.393 -4.475 4.857 1.00 52.17 N ATOM 2747 HE22 GLN A 900 25.320 -5.101 4.030 1.00 0.00 H ATOM 2748 HE21 GLN A 900 26.317 -4.087 5.135 1.00 0.00 H ATOM 2749 H GLN A 900 20.116 -5.568 6.405 1.00 0.00 H ATOM 2750 N LEU A 901 19.189 -2.451 6.551 1.00 19.31 N ATOM 2751 CA LEU A 901 18.353 -1.263 6.744 1.00 19.29 C ATOM 2752 C LEU A 901 18.385 -0.839 8.205 1.00 17.22 C ATOM 2753 O LEU A 901 18.581 0.334 8.519 1.00 21.20 O ATOM 2754 CB LEU A 901 16.918 -1.533 6.295 1.00 18.36 C ATOM 2755 CG LEU A 901 16.749 -1.701 4.777 1.00 21.41 C ATOM 2756 CD1 LEU A 901 15.402 -2.301 4.439 1.00 23.22 C ATOM 2757 CD2 LEU A 901 16.946 -0.375 4.044 1.00 20.51 C ATOM 2758 H LEU A 901 18.756 -3.326 6.191 1.00 0.00 H ATOM 2759 N HIS A 902 18.209 -1.796 9.104 1.00 19.16 N ATOM 2760 CA HIS A 902 18.290 -1.474 10.519 1.00 23.31 C ATOM 2761 C HIS A 902 19.648 -0.887 10.895 1.00 20.01 C ATOM 2762 O HIS A 902 19.725 0.117 11.614 1.00 24.04 O ATOM 2763 CB HIS A 902 18.016 -2.685 11.404 1.00 25.47 C ATOM 2764 CG HIS A 902 18.195 -2.392 12.854 1.00 24.49 C ATOM 2765 ND1 HIS A 902 17.258 -1.710 13.596 1.00 27.49 N ATOM 2766 CD2 HIS A 902 19.227 -2.651 13.697 1.00 25.64 C ATOM 2767 CE1 HIS A 902 17.695 -1.572 14.837 1.00 22.14 C ATOM 2768 NE2 HIS A 902 18.889 -2.128 14.919 1.00 29.65 N ATOM 2769 H HIS A 902 18.014 -2.771 8.799 1.00 0.00 H ATOM 2770 N ARG A 903 20.720 -1.526 10.433 1.00 19.45 N ATOM 2771 CA ARG A 903 22.059 -1.094 10.803 1.00 20.50 C ATOM 2772 C ARG A 903 22.277 0.355 10.368 1.00 19.01 C ATOM 2773 O ARG A 903 22.764 1.172 11.154 1.00 23.75 O ATOM 2774 CB ARG A 903 23.119 -2.006 10.181 1.00 30.97 C ATOM 2775 CG ARG A 903 24.522 -1.778 10.707 1.00 28.57 C ATOM 2776 CD ARG A 903 25.568 -2.092 9.623 1.00 32.97 C ATOM 2777 NE ARG A 903 25.127 -1.518 8.351 1.00 33.80 N ATOM 2778 CZ ARG A 903 25.230 -0.229 8.031 1.00 41.57 C ATOM 2779 NH1 ARG A 903 25.790 0.625 8.877 1.00 29.92 N ATOM 2780 NH2 ARG A 903 24.785 0.205 6.858 1.00 47.73 N ATOM 2781 HE ARG A 903 24.705 -2.160 7.650 1.00 0.00 H ATOM 2782 HH12 ARG A 903 25.869 1.631 8.625 1.00 0.00 H ATOM 2783 HH11 ARG A 903 26.150 0.289 9.793 1.00 0.00 H ATOM 2784 HH22 ARG A 903 24.867 1.212 6.611 1.00 0.00 H ATOM 2785 HH21 ARG A 903 24.355 -0.462 6.186 1.00 0.00 H ATOM 2786 H ARG A 903 20.599 -2.343 9.801 1.00 0.00 H ATOM 2787 N PHE A 904 21.885 0.663 9.134 1.00 19.58 N ATOM 2788 CA PHE A 904 22.045 2.009 8.572 1.00 17.78 C ATOM 2789 C PHE A 904 21.339 3.046 9.429 1.00 22.62 C ATOM 2790 O PHE A 904 21.910 4.061 9.783 1.00 24.95 O ATOM 2791 CB PHE A 904 21.471 2.067 7.144 1.00 20.85 C ATOM 2792 CG PHE A 904 21.756 3.366 6.409 1.00 22.50 C ATOM 2793 CD1 PHE A 904 21.073 4.535 6.717 1.00 25.77 C ATOM 2794 CD2 PHE A 904 22.682 3.398 5.375 1.00 28.34 C ATOM 2795 CE1 PHE A 904 21.331 5.725 6.034 1.00 32.73 C ATOM 2796 CE2 PHE A 904 22.943 4.573 4.684 1.00 30.14 C ATOM 2797 CZ PHE A 904 22.266 5.743 5.010 1.00 31.10 C ATOM 2798 H PHE A 904 21.450 -0.077 8.547 1.00 0.00 H ATOM 2799 N LEU A 905 20.078 2.791 9.745 1.00 23.09 N ATOM 2800 CA LEU A 905 19.275 3.772 10.476 1.00 19.47 C ATOM 2801 C LEU A 905 19.666 3.900 11.943 1.00 25.29 C ATOM 2802 O LEU A 905 19.551 4.977 12.519 1.00 27.11 O ATOM 2803 CB LEU A 905 17.792 3.424 10.382 1.00 16.90 C ATOM 2804 CG LEU A 905 17.217 3.462 8.969 1.00 17.40 C ATOM 2805 CD1 LEU A 905 15.947 2.664 8.878 1.00 17.25 C ATOM 2806 CD2 LEU A 905 16.948 4.896 8.520 1.00 21.22 C ATOM 2807 H LEU A 905 19.653 1.882 9.470 1.00 0.00 H ATOM 2808 N ALA A 906 20.118 2.806 12.548 1.00 20.67 N ATOM 2809 CA ALA A 906 20.529 2.832 13.944 1.00 24.42 C ATOM 2810 C ALA A 906 21.906 3.458 14.120 1.00 27.76 C ATOM 2811 O ALA A 906 22.237 3.952 15.196 1.00 30.38 O ATOM 2812 CB ALA A 906 20.492 1.430 14.542 1.00 31.99 C ATOM 2813 H ALA A 906 20.179 1.916 12.014 1.00 0.00 H ATOM 2814 N GLU A 907 22.720 3.430 13.070 1.00 25.19 N ATOM 2815 CA GLU A 907 24.018 4.079 13.124 1.00 27.99 C ATOM 2816 C GLU A 907 23.759 5.564 13.043 1.00 38.92 C ATOM 2817 O GLU A 907 24.289 6.336 13.827 1.00 38.04 O ATOM 2818 CB GLU A 907 24.916 3.640 11.961 1.00 29.80 C ATOM 2819 CG GLU A 907 26.319 4.243 12.005 1.00 39.24 C ATOM 2820 CD GLU A 907 27.196 3.788 10.853 1.00 37.76 C ATOM 2821 OE1 GLU A 907 26.740 2.946 10.059 1.00 30.96 O ATOM 2822 OE2 GLU A 907 28.340 4.279 10.734 1.00 47.07 O ATOM 2823 H GLU A 907 22.425 2.939 12.202 1.00 0.00 H ATOM 2824 N ASP A 908 22.908 5.937 12.089 1.00 50.60 N ATOM 2825 CA ASP A 908 22.572 7.328 11.821 1.00 58.74 C ATOM 2826 C ASP A 908 21.783 7.980 12.960 1.00 61.67 C ATOM 2827 O ASP A 908 21.927 9.176 13.211 1.00 65.91 O ATOM 2828 CB ASP A 908 21.816 7.443 10.494 1.00 63.20 C ATOM 2829 CG ASP A 908 22.743 7.427 9.284 1.00 70.16 C ATOM 2830 OD1 ASP A 908 23.887 6.930 9.399 1.00 64.41 O ATOM 2831 OD2 ASP A 908 22.324 7.917 8.212 1.00 76.22 O ATOM 2832 H ASP A 908 22.462 5.199 11.507 1.00 0.00 H ATOM 2833 N ALA A 909 20.956 7.197 13.648 1.00 56.06 N ATOM 2834 CA ALA A 909 20.227 7.696 14.814 1.00 61.89 C ATOM 2835 C ALA A 909 21.156 7.838 16.020 1.00 65.09 C ATOM 2836 O ALA A 909 21.064 8.803 16.779 1.00 66.78 O ATOM 2837 CB ALA A 909 19.049 6.783 15.149 1.00 59.85 C ATOM 2838 H ALA A 909 20.825 6.209 13.350 1.00 0.00 H ATOM 2839 N LEU A 910 22.045 6.864 16.191 1.00 60.88 N ATOM 2840 CA LEU A 910 23.048 6.913 17.241 1.00 61.92 C ATOM 2841 C LEU A 910 24.030 8.032 16.939 1.00 74.72 C ATOM 2842 O LEU A 910 24.339 8.855 17.801 1.00 80.00 O ATOM 2843 CB LEU A 910 23.792 5.580 17.323 1.00 59.35 C ATOM 2844 CG LEU A 910 24.912 5.447 18.356 1.00 62.30 C ATOM 2845 CD1 LEU A 910 24.356 5.597 19.765 1.00 63.55 C ATOM 2846 CD2 LEU A 910 25.644 4.116 18.196 1.00 62.83 C ATOM 2847 H LEU A 910 22.022 6.042 15.554 1.00 0.00 H ATOM 2848 N ASN A 911 24.510 8.058 15.699 1.00 81.41 N ATOM 2849 CA ASN A 911 25.504 9.036 15.272 1.00 84.41 C ATOM 2850 C ASN A 911 25.087 9.746 13.988 1.00 81.52 C ATOM 2851 O ASN A 911 24.233 10.632 14.006 1.00 78.07 O ATOM 2852 CB ASN A 911 26.861 8.356 15.074 1.00 85.77 C ATOM 2853 CG ASN A 911 27.299 7.561 16.292 1.00 87.26 C ATOM 2854 OD1 ASN A 911 27.162 8.015 17.429 1.00 85.39 O ATOM 2855 ND2 ASN A 911 27.822 6.363 16.058 1.00 88.46 N ATOM 2856 HD22 ASN A 911 27.919 6.020 15.081 1.00 0.00 H ATOM 2857 HD21 ASN A 911 28.135 5.768 16.852 1.00 0.00 H ATOM 2858 H ASN A 911 24.165 7.358 15.011 1.00 0.00 H TER 2859 ASN A 911 HETATM 2860 O HOH 1 -2.178 4.742 -16.584 1.00 33.26 O HETATM 2861 O HOH 2 14.137 0.820 -16.381 1.00 30.75 O HETATM 2862 O HOH 3 14.468 0.895 -9.459 1.00 29.84 O HETATM 2863 O HOH 4 22.906 10.508 11.622 1.00 47.48 O HETATM 2864 O HOH 5 -3.632 -5.144 6.662 1.00 39.74 O HETATM 2865 O HOH 6 -9.643 3.507 -7.130 1.00 40.07 O HETATM 2866 O HOH 7 -11.370 -18.138 29.513 1.00 46.78 O HETATM 2867 O HOH 8 -14.344 -8.415 -10.775 1.00 50.35 O HETATM 2868 O HOH 9 -11.686 -4.448 3.785 1.00 44.88 O HETATM 2869 O HOH 10 18.575 -4.630 16.570 1.00 49.42 O HETATM 2870 O HOH 11 -5.574 11.572 15.031 1.00 49.55 O HETATM 2871 O HOH 12 -1.528 11.319 6.972 1.00 39.56 O HETATM 2872 O HOH 13 -5.333 8.505 -3.485 1.00 31.32 O HETATM 2873 O HOH 14 3.454 10.749 4.184 1.00 24.73 O HETATM 2874 O HOH 15 17.314 -3.556 -15.115 1.00 46.72 O HETATM 2875 O HOH 16 6.622 -18.316 9.203 1.00 41.17 O HETATM 2876 O HOH 17 -18.174 -2.941 14.066 1.00 42.72 O HETATM 2877 O HOH 18 15.190 19.603 2.190 1.00 45.00 O HETATM 2878 O HOH 19 14.289 7.661 -16.871 1.00 33.99 O HETATM 2879 O HOH 20 -12.718 -6.838 11.164 1.00 47.11 O HETATM 2880 O HOH 21 13.208 -5.414 17.399 1.00 21.66 O HETATM 2881 O HOH 22 14.209 -1.518 18.273 1.00 36.98 O HETATM 2882 O HOH 23 3.205 -12.863 20.814 1.00 31.17 O HETATM 2883 O HOH 24 -8.464 1.071 5.671 1.00 23.13 O HETATM 2884 O HOH 25 10.195 27.727 13.485 1.00 46.06 O HETATM 2885 O HOH 26 -0.203 -2.275 28.476 1.00 30.43 O HETATM 2886 O HOH 27 -1.922 6.484 4.958 1.00 17.53 O HETATM 2887 O HOH 28 19.021 -0.235 -7.211 1.00 38.55 O HETATM 2888 O HOH 29 -15.989 -15.485 20.438 1.00 50.50 O HETATM 2889 O HOH 30 2.627 -5.439 22.222 1.00 37.26 O HETATM 2890 O HOH 31 15.883 -12.630 -6.550 1.00 47.31 O HETATM 2891 O HOH 32 -1.209 -8.083 5.877 1.00 23.28 O HETATM 2892 O HOH 33 9.836 16.150 5.070 1.00 24.77 O HETATM 2893 O HOH 34 20.175 -7.154 -1.289 1.00 36.43 O HETATM 2894 O HOH 35 -12.960 -6.786 35.575 1.00 35.78 O HETATM 2895 O HOH 36 0.280 -3.842 21.680 1.00 27.96 O HETATM 2896 O HOH 37 23.033 5.660 1.116 1.00 33.08 O HETATM 2897 O HOH 38 -8.643 -5.466 -14.364 1.00 35.11 O HETATM 2898 O HOH 39 8.459 -17.625 17.657 1.00 44.11 O HETATM 2899 O HOH 40 2.753 12.591 -2.121 1.00 26.53 O HETATM 2900 O HOH 41 -16.022 -21.549 12.902 1.00 29.24 O HETATM 2901 O HOH 42 12.092 4.280 21.906 1.00 34.28 O HETATM 2902 O HOH 43 16.704 -8.416 -1.437 1.00 37.84 O HETATM 2903 O HOH 44 2.612 -13.926 1.711 1.00 32.71 O HETATM 2904 O HOH 45 4.454 -14.793 0.881 1.00 31.59 O HETATM 2905 O HOH 46 5.878 5.132 -14.979 1.00 25.97 O HETATM 2906 O HOH 47 -2.704 -6.864 -8.307 1.00 29.63 O HETATM 2907 O HOH 48 -1.682 -24.868 14.582 1.00 29.16 O HETATM 2908 O HOH 49 5.666 -3.940 -1.432 1.00 16.51 O HETATM 2909 O HOH 50 9.597 15.856 -1.921 1.00 48.13 O HETATM 2910 O HOH 51 4.822 3.170 -22.123 1.00 41.35 O HETATM 2911 O HOH 52 16.137 2.383 -7.430 1.00 32.07 O HETATM 2912 O HOH 53 -2.524 2.564 -2.039 1.00 18.74 O HETATM 2913 O HOH 54 7.998 -10.039 -4.211 1.00 23.72 O HETATM 2914 O HOH 55 -4.627 5.734 16.296 1.00 32.92 O HETATM 2915 O HOH 56 1.181 -1.587 2.659 1.00 17.96 O HETATM 2916 O HOH 57 1.721 8.841 5.145 1.00 24.34 O HETATM 2917 O HOH 58 -3.895 -9.356 7.565 1.00 44.36 O HETATM 2918 O HOH 59 5.812 8.377 22.079 1.00 29.42 O HETATM 2919 O HOH 60 -5.887 8.880 6.015 1.00 43.04 O HETATM 2920 O HOH 61 -19.903 -5.088 12.373 1.00 47.46 O HETATM 2921 O HOH 62 10.926 -16.050 18.059 1.00 34.15 O HETATM 2922 O HOH 63 14.431 -7.680 15.873 1.00 32.42 O HETATM 2923 O HOH 64 13.008 6.069 -21.523 1.00 37.86 O HETATM 2924 O HOH 65 12.696 -11.016 18.986 1.00 31.53 O HETATM 2925 O HOH 66 -7.586 -11.507 -5.583 1.00 30.59 O HETATM 2926 O HOH 67 3.514 0.924 -5.900 1.00 17.27 O HETATM 2927 O HOH 68 -7.384 -0.360 7.893 1.00 24.67 O HETATM 2928 O HOH 69 11.151 -8.382 -8.512 1.00 29.86 O HETATM 2929 O HOH 70 -6.108 -20.699 17.748 1.00 24.26 O HETATM 2930 O HOH 71 -5.504 7.710 -14.584 1.00 31.82 O HETATM 2931 O HOH 72 -12.561 -18.081 7.671 1.00 26.06 O HETATM 2932 O HOH 73 -3.169 13.524 13.665 1.00 33.19 O HETATM 2933 O HOH 74 -7.465 -3.489 -12.032 1.00 40.79 O HETATM 2934 O HOH 75 0.007 4.753 6.243 1.00 15.86 O HETATM 2935 O HOH 76 -8.080 -5.059 -5.917 1.00 23.06 O HETATM 2936 O HOH 77 16.119 -1.180 -10.384 1.00 38.66 O HETATM 2937 O HOH 78 5.197 1.960 -4.134 1.00 16.74 O HETATM 2938 O HOH 79 20.282 4.434 -4.687 1.00 29.22 O HETATM 2939 O HOH 80 -15.104 -3.812 -9.313 1.00 39.28 O HETATM 2940 O HOH 81 15.665 -1.357 -13.562 1.00 44.99 O HETATM 2941 O HOH 82 6.483 -6.648 22.035 1.00 38.22 O HETATM 2942 O HOH 83 -4.037 -0.921 7.725 1.00 31.21 O HETATM 2943 O HOH 84 21.155 10.449 7.900 1.00 42.99 O HETATM 2944 O HOH 85 -3.980 9.547 10.007 1.00 26.23 O HETATM 2945 O HOH 86 5.042 -7.648 0.811 1.00 17.43 O HETATM 2946 O HOH 87 -4.221 3.713 21.163 1.00 29.15 O HETATM 2947 O HOH 88 -14.819 -20.864 7.733 1.00 28.46 O HETATM 2948 O HOH 89 -7.115 -14.904 10.145 1.00 31.83 O HETATM 2949 O HOH 90 9.197 5.050 -5.213 1.00 15.66 O HETATM 2950 O HOH 91 12.936 5.558 -14.899 1.00 37.02 O HETATM 2951 O HOH 92 -11.055 -5.652 -3.909 1.00 31.08 O HETATM 2952 O HOH 93 -5.929 -7.327 13.077 1.00 33.23 O HETATM 2953 O HOH 94 -7.210 7.341 -7.823 1.00 28.29 O HETATM 2954 O HOH 95 6.075 -9.490 19.790 1.00 26.08 O HETATM 2955 O HOH 96 1.828 -3.753 0.843 1.00 18.31 O HETATM 2956 O HOH 97 -0.766 0.241 31.682 1.00 47.77 O HETATM 2957 O HOH 98 12.486 -14.165 4.976 1.00 31.50 O HETATM 2958 O HOH 99 3.494 9.176 25.661 1.00 35.53 O HETATM 2959 O HOH 100 -15.041 -8.480 -3.604 1.00 31.33 O HETATM 2960 O HOH 101 -18.722 -14.045 7.867 1.00 33.63 O HETATM 2961 O HOH 102 9.829 1.642 -18.247 1.00 22.65 O HETATM 2962 O HOH 103 -7.874 7.257 3.001 1.00 27.43 O HETATM 2963 O HOH 104 -5.305 7.689 3.084 1.00 32.83 O HETATM 2964 O HOH 105 -3.372 -7.339 -0.515 1.00 27.00 O HETATM 2965 O HOH 106 6.668 7.664 -17.437 1.00 30.33 O HETATM 2966 O HOH 107 -3.350 -16.666 28.046 1.00 30.35 O HETATM 2967 O HOH 108 -4.760 10.643 -6.404 1.00 43.64 O HETATM 2968 O HOH 109 -4.595 3.921 -3.235 1.00 20.85 O HETATM 2969 O HOH 110 -2.688 8.649 25.433 1.00 45.46 O HETATM 2970 O HOH 111 -10.668 -22.339 21.195 1.00 51.08 O HETATM 2971 O HOH 112 4.515 -5.062 3.283 1.00 16.22 O HETATM 2972 O HOH 113 17.568 3.679 16.966 1.00 33.84 O HETATM 2973 O HOH 114 9.401 -10.331 5.719 1.00 22.55 O HETATM 2974 O HOH 115 12.301 8.026 -12.809 1.00 28.25 O HETATM 2975 O HOH 116 -12.715 0.542 4.007 1.00 48.55 O HETATM 2976 O HOH 117 25.359 8.784 7.808 1.00 44.61 O HETATM 2977 O HOH 118 16.283 17.581 14.499 1.00 30.86 O HETATM 2978 O HOH 119 12.628 8.002 -19.918 1.00 36.99 O HETATM 2979 O HOH 120 -3.279 12.283 -2.402 1.00 32.83 O HETATM 2980 O HOH 121 2.143 -15.367 -5.285 1.00 45.36 O HETATM 2981 O HOH 122 -8.899 1.606 15.601 1.00 34.30 O HETATM 2982 O HOH 123 -19.375 -20.825 6.547 1.00 43.08 O HETATM 2983 O HOH 124 16.370 -10.722 8.999 1.00 25.05 O HETATM 2984 O HOH 125 -1.812 -6.724 1.416 1.00 27.52 O HETATM 2985 O HOH 126 -15.738 -4.723 32.306 1.00 31.91 O HETATM 2986 O HOH 127 -13.444 -9.069 12.227 1.00 48.67 O HETATM 2987 O HOH 128 -6.312 6.424 -3.833 1.00 37.25 O HETATM 2988 O HOH 129 -1.094 -12.760 -3.213 1.00 26.81 O HETATM 2989 O HOH 130 -10.510 -14.230 5.521 1.00 34.41 O HETATM 2990 O HOH 131 9.674 -14.183 1.376 1.00 29.31 O HETATM 2991 O HOH 132 -9.017 -6.587 5.765 1.00 31.49 O HETATM 2992 O HOH 133 17.290 -3.192 -10.095 1.00 43.25 O HETATM 2993 O HOH 134 9.508 -20.246 10.693 1.00 48.14 O HETATM 2994 O HOH 135 10.422 -11.345 -5.241 1.00 28.00 O HETATM 2995 O HOH 136 1.491 -14.450 -1.722 1.00 44.54 O HETATM 2996 O HOH 137 -2.352 8.594 16.877 1.00 32.63 O HETATM 2997 O HOH 138 -8.484 -8.774 0.438 1.00 44.20 O HETATM 2998 O HOH 139 15.516 -8.923 4.966 1.00 24.04 O HETATM 2999 O HOH 140 1.722 2.954 25.864 1.00 28.73 O HETATM 3000 O HOH 141 0.344 1.345 28.406 1.00 45.54 O HETATM 3001 O HOH 142 -7.617 5.387 -11.327 1.00 29.93 O HETATM 3002 O HOH 143 -3.265 -6.029 42.990 1.00 40.27 O HETATM 3003 O HOH 144 -0.504 8.740 -17.163 1.00 35.42 O HETATM 3004 O HOH 145 -14.171 -21.318 22.967 1.00 37.71 O HETATM 3005 O HOH 146 -4.519 15.521 -5.500 1.00 26.15 O HETATM 3006 O HOH 147 15.591 -7.620 0.231 1.00 37.10 O HETATM 3007 O HOH 148 16.813 -3.138 17.785 1.00 34.67 O HETATM 3008 O HOH 149 -9.597 -12.892 -7.187 1.00 22.76 O HETATM 3009 O HOH 150 -3.448 -10.161 -1.580 1.00 30.79 O HETATM 3010 O HOH 151 -9.200 -11.904 13.074 1.00 36.33 O HETATM 3011 O HOH 152 -12.225 1.500 13.981 1.00 40.56 O HETATM 3012 O HOH 153 3.534 -14.658 -2.731 1.00 51.01 O HETATM 3013 O HOH 154 21.029 16.107 1.487 1.00 33.14 O HETATM 3014 O HOH 155 2.557 0.366 -18.048 1.00 35.88 O HETATM 3015 O HOH 156 10.464 24.002 16.207 1.00 38.44 O HETATM 3016 O HOH 157 -14.810 2.872 3.983 1.00 30.88 O HETATM 3017 O HOH 158 13.698 13.981 -5.327 1.00 28.74 O HETATM 3018 O HOH 159 3.814 1.943 -8.715 1.00 22.89 O HETATM 3019 O HOH 160 5.763 9.448 25.844 1.00 38.18 O HETATM 3020 O HOH 161 -9.882 -3.474 9.140 1.00 39.80 O HETATM 3021 O HOH 162 16.775 16.709 8.017 1.00 29.01 O HETATM 3022 O HOH 163 -3.618 0.837 -14.982 1.00 35.14 O HETATM 3023 O HOH 164 12.172 14.573 19.275 1.00 37.67 O HETATM 3024 O HOH 165 0.161 -2.464 -15.139 1.00 38.35 O HETATM 3025 O HOH 166 -1.300 13.595 -0.338 1.00 33.03 O HETATM 3026 O HOH 167 -20.077 -15.939 6.461 1.00 46.46 O HETATM 3027 O HOH 168 20.055 -10.689 6.437 1.00 32.12 O HETATM 3028 O HOH 169 17.573 -9.242 6.982 1.00 26.09 O HETATM 3029 O HOH 170 12.003 -0.406 20.840 1.00 29.43 O HETATM 3030 O HOH 171 12.213 -12.273 -0.634 1.00 23.92 O HETATM 3031 O HOH 172 -10.575 1.597 -4.593 1.00 34.41 O HETATM 3032 O HOH 173 -12.835 -8.315 8.880 1.00 45.32 O HETATM 3033 O HOH 174 -12.780 -15.457 34.340 1.00 34.20 O HETATM 3034 O HOH 175 23.833 12.663 2.596 1.00 31.44 O HETATM 3035 O HOH 176 0.560 18.197 -9.071 1.00 36.06 O HETATM 3036 O HOH 177 -17.538 -4.173 -6.456 1.00 45.91 O HETATM 3037 O HOH 178 22.057 11.713 16.637 1.00 41.94 O HETATM 3038 O HOH 179 18.358 8.698 18.257 1.00 36.12 O HETATM 3039 O HOH 180 -6.788 -5.736 -8.233 1.00 26.07 O HETATM 3040 O HOH 181 -7.837 4.194 18.738 1.00 47.51 O HETATM 3041 O HOH 182 15.097 -19.951 7.728 1.00 43.41 O HETATM 3042 O HOH 183 8.458 13.809 -1.214 1.00 26.19 O HETATM 3043 O HOH 184 -7.546 1.483 -12.279 1.00 47.36 O HETATM 3044 O HOH 185 -19.888 -18.023 8.153 1.00 36.62 O HETATM 3045 O HOH 186 13.204 -9.986 -9.134 1.00 50.26 O HETATM 3046 O HOH 187 15.632 -10.004 14.588 1.00 32.19 O HETATM 3047 O HOH 188 -10.260 -2.585 15.584 1.00 36.55 O HETATM 3048 O HOH 189 -18.099 -5.720 15.175 1.00 33.66 O HETATM 3049 O HOH 190 9.136 21.766 20.932 1.00 47.24 O HETATM 3050 O HOH 191 5.304 13.297 21.554 1.00 36.03 O HETATM 3051 O HOH 192 7.922 19.346 8.828 1.00 29.20 O HETATM 3052 O HOH 193 5.003 -0.727 -8.496 1.00 28.46 O HETATM 3053 O HOH 194 -12.387 -12.166 12.647 1.00 34.72 O HETATM 3054 O HOH 195 -11.499 -1.911 10.721 1.00 37.74 O HETATM 3055 O HOH 196 -4.694 13.209 -7.301 1.00 31.22 O HETATM 3056 O HOH 197 7.762 2.997 -4.509 1.00 23.59 O HETATM 3057 O HOH 198 5.182 6.502 -18.952 1.00 38.68 O HETATM 3058 O HOH 199 3.257 16.885 2.549 1.00 36.24 O HETATM 3059 O HOH 200 3.159 -14.928 -10.558 1.00 35.39 O HETATM 3060 O HOH 201 -9.881 8.404 1.820 1.00 34.81 O HETATM 3061 O HOH 202 14.896 -11.851 -3.972 1.00 40.73 O HETATM 3062 O HOH 203 12.741 -20.817 4.096 1.00 50.22 O HETATM 3063 O HOH 204 -12.570 -10.437 14.428 1.00 31.41 O HETATM 3064 O HOH 205 4.105 -5.077 0.369 1.00 17.81 O HETATM 3065 O HOH 206 16.080 16.818 -4.926 1.00 44.13 O HETATM 3066 O HOH 207 -0.205 7.872 3.450 1.00 27.18 O HETATM 3067 O HOH 208 16.548 4.676 -11.590 1.00 47.19 O HETATM 3068 O HOH 209 12.151 -12.671 -3.401 1.00 31.39 O HETATM 3069 O HOH 210 -11.374 -8.207 12.537 1.00 40.40 O HETATM 3070 O HOH 211 -1.502 -16.773 25.650 1.00 49.44 O HETATM 3071 O HOH 212 4.311 26.353 8.931 1.00 47.56 O HETATM 3072 O HOH 213 -1.496 -0.931 -16.114 1.00 33.98 O HETATM 3073 O HOH 214 -4.886 10.262 7.472 1.00 36.07 O HETATM 3074 O HOH 215 -4.945 -12.371 -0.793 1.00 50.02 O HETATM 3075 O HOH 216 -13.787 -22.014 14.658 1.00 36.54 O HETATM 3076 O HOH 217 25.700 11.258 1.337 1.00 44.72 O HETATM 3077 O HOH 218 -8.736 3.216 -11.283 1.00 42.13 O HETATM 3078 O HOH 219 16.737 -13.162 7.388 1.00 34.90 O HETATM 3079 O HOH 220 14.677 -5.399 19.766 1.00 41.54 O HETATM 3080 O HOH 221 -1.823 10.307 4.240 1.00 38.13 O HETATM 3081 O HOH 222 -5.846 -0.501 -13.890 1.00 40.85 O HETATM 3082 O HOH 223 15.780 9.464 19.465 1.00 46.80 O HETATM 3083 O HOH 224 14.606 -11.634 0.202 1.00 36.50 O HETATM 3084 O HOH 225 18.741 -9.899 -0.056 1.00 46.81 O HETATM 3085 O HOH 226 -9.990 -0.834 13.643 1.00 52.46 O HETATM 3086 O HOH 227 -5.774 3.316 16.562 1.00 50.82 O HETATM 3087 O HOH 228 -3.777 8.720 5.370 1.00 25.18 O HETATM 3088 O HOH 229 14.309 19.720 -0.311 1.00 51.03 O HETATM 3089 O HOH 230 16.615 4.945 -8.861 1.00 31.15 O HETATM 3090 O HOH 231 6.788 23.084 20.181 1.00 47.57 O HETATM 3091 O HOH 232 7.347 -17.331 32.898 1.00 40.57 O HETATM 3092 O HOH 233 22.620 3.345 -4.223 1.00 36.23 O HETATM 3093 O HOH 234 7.306 17.410 4.052 1.00 40.53 O HETATM 3094 O HOH 235 -11.249 -11.317 10.841 1.00 41.28 O HETATM 3095 O HOH 236 -5.046 -7.885 5.767 1.00 36.79 O HETATM 3096 O HOH 237 17.037 -15.618 8.007 1.00 34.68 O HETATM 3097 O HOH 238 17.049 17.884 10.077 1.00 41.70 O HETATM 3098 O HOH 239 5.571 11.120 22.759 1.00 34.76 O HETATM 3099 O HOH 240 -7.538 -22.915 21.706 1.00 52.20 O HETATM 3100 O HOH 241 -15.548 -23.198 9.361 1.00 28.79 O HETATM 3101 O HOH 242 -5.103 14.713 -2.701 1.00 36.53 O HETATM 3102 O HOH 243 9.927 -10.787 -9.460 1.00 39.47 O HETATM 3103 O HOH 244 -7.704 -12.534 8.184 1.00 34.44 O HETATM 3104 O HOH 245 -2.739 -10.647 -4.441 1.00 28.76 O HETATM 3105 O HOH 246 22.141 14.131 8.523 1.00 37.49 O HETATM 3106 O HOH 247 -5.620 -10.234 0.748 1.00 43.34 O HETATM 3107 O HOH 248 14.960 -3.669 21.506 1.00 47.84 O HETATM 3108 O HOH 249 15.433 -9.457 1.982 1.00 37.60 O HETATM 3109 O HOH 250 -1.691 -19.194 25.229 1.00 39.06 O HETATM 3110 O HOH 251 23.800 12.909 4.960 1.00 43.23 O HETATM 3111 O HOH 252 25.589 11.085 6.515 1.00 35.03 O HETATM 3112 O HOH 253 -1.437 -19.054 22.503 1.00 53.32 O HETATM 3113 O HOH 254 -7.018 -19.989 20.259 1.00 29.37 O HETATM 3114 O HOH 255 19.558 16.180 8.447 1.00 37.53 O HETATM 3115 O HOH 256 16.506 -11.684 5.234 1.00 33.37 O HETATM 3116 O HOH 257 10.747 -11.256 -12.234 1.00 42.87 O HETATM 3117 O HOH 258 8.151 -19.260 34.392 1.00 55.59 O HETATM 3118 O HOH 259 -4.673 -20.823 21.862 1.00 39.28 O HETATM 3119 O HOH 260 6.765 25.992 20.711 1.00 54.14 O HETATM 3120 C4 D A 6 -3.743 -4.653 17.061 1.00 0.00 C HETATM 3121 C5 D A 6 -4.060 -3.298 16.433 1.00 0.03 C HETATM 3122 N6 D A 6 -5.528 -3.112 16.424 1.00 -0.27 N HETATM 3123 C1 D A 6 -6.169 -4.014 15.456 1.00 0.03 C HETATM 3124 C2 D A 6 -5.987 -5.425 16.034 1.00 0.00 C HETATM 3125 C3 D A 6 -4.526 -5.796 16.374 1.00 0.13 C HETATM 3126 C10 D A 6 -3.787 -6.180 15.104 1.00 0.23 C HETATM 3127 N9 D A 6 -3.575 -7.554 15.103 1.00 -0.23 N HETATM 3128 C8 D A 6 -3.644 -8.102 16.505 1.00 0.12 C HETATM 3129 N7 D A 6 -4.466 -7.058 17.188 1.00 -0.28 N HETATM 3130 C12 D A 6 -4.732 -7.176 18.617 1.00 0.04 C HETATM 3131 C13 D A 6 -4.252 -8.266 19.317 1.00 -0.04 C HETATM 3132 C14 D A 6 -4.579 -8.406 20.677 1.00 -0.07 C HETATM 3133 C15 D A 6 -5.377 -7.475 21.329 1.00 -0.08 C HETATM 3134 C16 D A 6 -5.854 -6.372 20.638 1.00 -0.07 C HETATM 3135 C17 D A 6 -5.530 -6.219 19.280 1.00 -0.04 C HETATM 3136 H9 D A 6 -5.897 -5.357 18.735 1.00 0.05 H HETATM 3137 H18 D A 6 -6.471 -5.635 21.140 1.00 0.06 H HETATM 3138 H8 D A 6 -5.626 -7.610 22.375 1.00 0.05 H HETATM 3139 H17 D A 6 -4.200 -9.259 21.229 1.00 0.06 H HETATM 3140 H7 D A 6 -3.631 -9.005 18.823 1.00 0.05 H HETATM 3141 H5 D A 6 -4.139 -9.084 16.529 1.00 0.08 H HETATM 3142 H6 D A 6 -2.643 -8.184 16.955 1.00 0.08 H HETATM 3143 C29 D A 6 -2.746 -8.206 14.108 1.00 0.12 C HETATM 3144 C30 D A 6 -1.254 -7.915 14.317 1.00 0.20 C HETATM 3145 O31 D A 6 -0.827 -7.046 15.096 1.00 -0.39 O HETATM 3146 N32 D A 6 -0.384 -8.691 13.566 1.00 -0.29 N HETATM 3147 C33 D A 6 1.062 -8.487 13.697 1.00 0.02 C HETATM 3148 H24 D A 6 1.592 -9.184 13.032 1.00 0.05 H HETATM 3149 H25 D A 6 1.365 -8.671 14.738 1.00 0.05 H HETATM 3150 H26 D A 6 1.313 -7.453 13.419 1.00 0.05 H HETATM 3151 H23 D A 6 -0.740 -9.384 12.940 1.00 0.18 H HETATM 3152 H21 D A 6 -3.041 -7.847 13.111 1.00 0.08 H HETATM 3153 H22 D A 6 -2.907 -9.292 14.169 1.00 0.08 H HETATM 3154 O11 D A 6 -3.424 -5.447 14.214 1.00 -0.34 O HETATM 3155 H15 D A 6 -6.362 -6.149 15.296 1.00 0.03 H HETATM 3156 H16 D A 6 -6.583 -5.498 16.956 1.00 0.03 H HETATM 3157 H13 D A 6 -7.238 -3.774 15.355 1.00 0.05 H HETATM 3158 H14 D A 6 -5.681 -3.934 14.473 1.00 0.05 H HETATM 3159 C18 D A 6 -6.239 -2.164 17.192 1.00 0.21 C HETATM 3160 C20 D A 6 -5.557 -1.304 18.207 1.00 0.05 C HETATM 3161 C21 D A 6 -4.797 -1.853 19.222 1.00 -0.03 C HETATM 3162 C22 D A 6 -4.207 -0.985 20.131 1.00 0.04 C HETATM 3163 C26 D A 6 -3.364 -1.174 21.254 1.00 0.11 C HETATM 3164 N27 D A 6 -3.068 0.024 21.809 1.00 -0.24 N HETATM 3165 N28 D A 6 -3.696 0.989 21.064 1.00 -0.33 N HETATM 3166 C23 D A 6 -4.414 0.417 20.015 1.00 -0.01 C HETATM 3167 C24 D A 6 -5.200 0.973 18.990 1.00 -0.05 C HETATM 3168 C25 D A 6 -5.759 0.094 18.087 1.00 -0.04 C HETATM 3169 H19 D A 6 -6.362 0.478 17.272 1.00 0.07 H HETATM 3170 H11 D A 6 -5.359 2.043 18.913 1.00 0.06 H HETATM 3171 H20 D A 6 -2.479 0.182 22.639 1.00 0.29 H HETATM 3172 H12 D A 6 -3.008 -2.138 21.616 1.00 0.14 H HETATM 3173 H10 D A 6 -4.666 -2.926 19.306 1.00 0.07 H HETATM 3174 O19 D A 6 -7.444 -2.002 17.001 1.00 -0.38 O HETATM 3175 H3 D A 6 -3.677 -3.269 15.402 1.00 0.05 H HETATM 3176 H4 D A 6 -3.589 -2.497 17.022 1.00 0.05 H HETATM 3177 H1 D A 6 -4.014 -4.625 18.127 1.00 0.03 H HETATM 3178 H2 D A 6 -2.665 -4.849 16.962 1.00 0.03 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 347 348 354 355 356 CONECT 354 347 CONECT 355 347 CONECT 356 347 CONECT 1125 1126 1131 1132 1133 CONECT 1132 1125 CONECT 1133 1125 CONECT 3120 3121 3125 3177 3178 CONECT 3121 3120 3122 3175 3176 CONECT 3122 3121 3123 3159 CONECT 3123 3122 3124 3157 3158 CONECT 3124 3123 3125 3155 3156 CONECT 3125 3120 3124 3126 3129 CONECT 3126 3125 3127 3154 CONECT 3127 3126 3128 3143 CONECT 3128 3127 3129 3141 3142 CONECT 3129 3125 3128 3130 CONECT 3130 3129 3131 3135 CONECT 3131 3130 3132 3140 CONECT 3132 3131 3133 3139 CONECT 3133 3132 3134 3138 CONECT 3134 3133 3135 3137 CONECT 3135 3130 3134 3136 CONECT 3136 3135 CONECT 3137 3134 CONECT 3138 3133 CONECT 3139 3132 CONECT 3140 3131 CONECT 3141 3128 CONECT 3142 3128 CONECT 3143 3127 3144 3152 3153 CONECT 3144 3143 3145 3146 CONECT 3145 3144 CONECT 3146 3144 3147 3151 CONECT 3147 3146 3148 3149 3150 CONECT 3148 3147 CONECT 3149 3147 CONECT 3150 3147 CONECT 3151 3146 CONECT 3152 3143 CONECT 3153 3143 CONECT 3154 3126 CONECT 3155 3124 CONECT 3156 3124 CONECT 3157 3123 CONECT 3158 3123 CONECT 3159 3122 3160 3174 CONECT 3160 3159 3161 3168 CONECT 3161 3160 3162 3173 CONECT 3162 3161 3163 3166 CONECT 3163 3162 3164 3172 CONECT 3164 3163 3165 3171 CONECT 3165 3164 3166 CONECT 3166 3162 3165 3167 CONECT 3167 3166 3168 3170 CONECT 3168 3160 3167 3169 CONECT 3169 3168 CONECT 3170 3167 CONECT 3171 3164 CONECT 3172 3163 CONECT 3173 3161 CONECT 3174 3159 CONECT 3175 3121 CONECT 3176 3121 CONECT 3177 3120 CONECT 3178 3120 MASTER 0 0 0 0 0 0 0 0 3175 3 70 24 END
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Structure:
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Protein
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Related entries of code: 6few
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3zos
RCSB PDB
PDBbind
315aa, >3ZOS_1|Chains... at 100%
4bkj
RCSB PDB
PDBbind
315aa, >4BKJ_1|Chains... at 100%
4ckr
RCSB PDB
PDBbind
315aa, >4CKR_1|Chain... at 100%
5bvk
RCSB PDB
PDBbind
324aa, >5BVK_1|Chain... at 96%
5bvn
RCSB PDB
PDBbind
324aa, >5BVN_1|Chain... at 96%
5bvo
RCSB PDB
PDBbind
324aa, >5BVO_1|Chain... at 96%
5bvw
RCSB PDB
PDBbind
324aa, >5BVW_1|Chain... at 96%
5fdp
RCSB PDB
PDBbind
337aa, >5FDP_1|Chain... *
6fex
RCSB PDB
PDBbind
321aa, >6FEX_1|Chain... at 95%
6fil
RCSB PDB
PDBbind
321aa, >6FIL_1|Chain... at 95%
6gwr
RCSB PDB
PDBbind
315aa, >6GWR_1|Chains... at 100%
6hp9
RCSB PDB
PDBbind
315aa, >6HP9_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6fil
RCSB PDB
PDBbind
D6W
Entry Information
PDB ID
6few
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
DDR1 kinase
Ligand Name
D6W
EC.Number
E.C.-.-.-.-
Resolution
1.44(Å)
Affinity (Kd/Ki/IC50)
IC50=1.41uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ACS Chem. Biol. Vol. 14: pp. 37-49
Ligand Properties
Formula
C
2
4
H
2
6
N
6
O
3
Molecular Weight
446.502
Exact Mass
446.207
No. of atoms
59
No. of bonds
63
Polar Surface Area
101.64
LOGP Value
1.92 (
Computed with XLOGP3
)
1.92 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c1ccc2c(c1)c[nH]n2)c1ccccc1
InChI String
InChI=1S/C24H26N6O3/c1-25-21(31)15-29-16-30(19-5-3-2-4-6-19)24(23(29)33)9-11-28(12-10-24)22(32)17-7-8-20-18(13-17)14-26-27-20/h2-8,13-14H,9-12,15-16H2,1H3,(H,25,31)(H,26,27)
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):
Q08345
Entrez Gene ID
NCBI Entrez Gene ID:
780
ASD
Information of known allosteric effects of PDB entries
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