Browse entries in the PDBbind-CN Database
HEADER 5FDP_COMPLEX COMPND 5FDP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 31 ASP PHE PRO ARG SER ARG LEU ARG PHE LYS GLU LYS LEU SEQRES 2 A 31 GLY GLU GLY GLN PHE GLY GLU VAL HIS LEU CYS GLU VAL SEQRES 3 A 31 ASP SER PRO GLN ASP SEQRES 1 A 76 HIS PRO LEU LEU VAL ALA VAL LYS ILE LEU ARG PRO ASP SEQRES 2 A 76 ALA THR LYS ASN ALA ARG ASN ASP PHE LEU LYS GLU VAL SEQRES 3 A 76 LYS ILE MET SER ARG LEU LYS ASP PRO ASN ILE ILE ARG SEQRES 4 A 76 LEU LEU GLY VAL CYS VAL GLN ASP ASP PRO LEU CYS MET SEQRES 5 A 76 ILE THR ASP TYR MET GLU ASN GLY ASP LEU ASN GLN PHE SEQRES 6 A 76 LEU SER ALA HIS GLN LEU GLU ASP LYS ALA ALA SEQRES 1 A 178 GLY PRO THR ILE SER TYR PRO MET LEU LEU HIS VAL ALA SEQRES 2 A 178 ALA GLN ILE ALA SER GLY MET ARG TYR LEU ALA THR LEU SEQRES 3 A 178 ASN PHE VAL HIS ARG ASP LEU ALA THR ARG ASN CYS LEU SEQRES 4 A 178 VAL GLY GLU ASN PHE THR ILE LYS ILE ALA ASP PHE GLY SEQRES 5 A 178 MET SER ARG ASN LEU TYR ALA GLY ASP TYR TYR ARG VAL SEQRES 6 A 178 GLN GLY ARG ALA VAL LEU PRO ILE ARG TRP MET ALA TRP SEQRES 7 A 178 GLU CYS ILE LEU MET GLY LYS PHE THR THR ALA SER ASP SEQRES 8 A 178 VAL TRP ALA PHE GLY VAL THR LEU TRP GLU VAL LEU MET SEQRES 9 A 178 LEU CYS ARG ALA GLN PRO PHE GLY GLN LEU THR ASP GLU SEQRES 10 A 178 GLN VAL ILE GLU ASN ALA GLY GLU PHE PHE ARG ASP GLN SEQRES 11 A 178 GLY ARG GLN VAL TYR LEU SER ARG PRO PRO ALA CYS PRO SEQRES 12 A 178 GLN GLY LEU TYR GLU LEU MET LEU ARG CYS TRP SER ARG SEQRES 13 A 178 GLU SER GLU GLN ARG PRO PRO PHE SER GLN LEU HIS ARG SEQRES 14 A 178 PHE LEU ALA GLU ASP ALA LEU ASN THR HET UNN A 557 71 ATOM 1 N ASP A 604 -8.749 -9.840 -54.641 1.00 26.54 N ATOM 2 CA ASP A 604 -7.703 -8.835 -54.835 1.00 26.62 C ATOM 3 C ASP A 604 -8.209 -7.730 -55.755 1.00 28.37 C ATOM 4 O ASP A 604 -8.710 -8.046 -56.838 1.00 28.04 O ATOM 5 CB ASP A 604 -6.446 -9.475 -55.458 1.00 28.67 C ATOM 6 CG ASP A 604 -5.129 -8.931 -54.933 1.00 35.90 C ATOM 7 OD1 ASP A 604 -4.988 -8.808 -53.695 1.00 41.04 O ATOM 8 OD2 ASP A 604 -4.192 -8.776 -55.735 1.00 31.12 O ATOM 9 HN3 ASP A 604 -9.008 -10.251 -55.561 1.00 0.00 H ATOM 10 HN2 ASP A 604 -9.584 -9.392 -54.212 1.00 0.00 H ATOM 11 HN1 ASP A 604 -8.396 -10.590 -54.013 1.00 0.00 H ATOM 12 N PHE A 605 -8.076 -6.441 -55.337 1.00 21.32 N ATOM 13 CA PHE A 605 -8.520 -5.299 -56.148 1.00 18.97 C ATOM 14 C PHE A 605 -7.809 -5.288 -57.511 1.00 19.43 C ATOM 15 O PHE A 605 -6.588 -5.461 -57.543 1.00 18.22 O ATOM 16 CB PHE A 605 -8.293 -3.944 -55.421 1.00 20.00 C ATOM 17 CG PHE A 605 -8.983 -2.762 -56.075 1.00 20.47 C ATOM 18 CD1 PHE A 605 -10.308 -2.459 -55.782 1.00 23.26 C ATOM 19 CD2 PHE A 605 -8.318 -1.979 -57.016 1.00 21.80 C ATOM 20 CE1 PHE A 605 -10.955 -1.385 -56.414 1.00 24.49 C ATOM 21 CE2 PHE A 605 -8.964 -0.911 -57.654 1.00 24.43 C ATOM 22 CZ PHE A 605 -10.281 -0.622 -57.354 1.00 23.29 C ATOM 23 H PHE A 605 -7.644 -6.258 -54.409 1.00 0.00 H ATOM 24 N PRO A 606 -8.536 -5.049 -58.633 1.00 13.56 N ATOM 25 CA PRO A 606 -7.852 -4.956 -59.932 1.00 13.12 C ATOM 26 C PRO A 606 -7.059 -3.658 -59.986 1.00 18.46 C ATOM 27 O PRO A 606 -7.651 -2.585 -60.081 1.00 18.19 O ATOM 28 CB PRO A 606 -8.994 -4.961 -60.948 1.00 14.80 C ATOM 29 CG PRO A 606 -10.194 -4.509 -60.192 1.00 19.66 C ATOM 30 CD PRO A 606 -9.984 -4.776 -58.748 1.00 15.03 C ATOM 31 N ARG A 607 -5.732 -3.741 -59.879 1.00 16.50 N ATOM 32 CA ARG A 607 -4.908 -2.533 -59.869 1.00 17.78 C ATOM 33 C ARG A 607 -5.019 -1.760 -61.183 1.00 25.02 C ATOM 34 O ARG A 607 -4.766 -0.561 -61.203 1.00 25.57 O ATOM 35 CB ARG A 607 -3.441 -2.829 -59.477 1.00 17.18 C ATOM 36 CG ARG A 607 -2.618 -3.626 -60.493 1.00 24.88 C ATOM 37 CD ARG A 607 -1.157 -3.756 -60.059 1.00 30.95 C ATOM 38 NE ARG A 607 -0.961 -4.820 -59.072 1.00 34.32 N ATOM 39 CZ ARG A 607 -0.152 -4.728 -58.020 1.00 49.14 C ATOM 40 NH1 ARG A 607 0.556 -3.625 -57.814 1.00 34.66 N ATOM 41 NH2 ARG A 607 -0.053 -5.736 -57.160 1.00 31.81 N ATOM 42 HE ARG A 607 -1.489 -5.706 -59.202 1.00 0.00 H ATOM 43 HH12 ARG A 607 1.187 -3.558 -56.990 1.00 0.00 H ATOM 44 HH11 ARG A 607 0.480 -2.827 -58.477 1.00 0.00 H ATOM 45 HH22 ARG A 607 0.581 -5.659 -56.339 1.00 0.00 H ATOM 46 HH21 ARG A 607 -0.609 -6.602 -57.308 1.00 0.00 H ATOM 47 H ARG A 607 -5.279 -4.674 -59.802 1.00 0.00 H ATOM 48 N SER A 608 -5.443 -2.443 -62.266 1.00 22.15 N ATOM 49 CA SER A 608 -5.608 -1.853 -63.595 1.00 22.22 C ATOM 50 C SER A 608 -6.734 -0.838 -63.589 1.00 26.79 C ATOM 51 O SER A 608 -6.894 -0.085 -64.552 1.00 28.25 O ATOM 52 CB SER A 608 -5.875 -2.946 -64.626 1.00 26.10 C ATOM 53 OG SER A 608 -7.101 -3.619 -64.383 1.00 33.63 O ATOM 54 HG SER A 608 -7.074 -4.039 -63.487 1.00 0.00 H ATOM 55 H SER A 608 -5.667 -3.452 -62.149 1.00 0.00 H ATOM 56 N ARG A 609 -7.525 -0.824 -62.503 1.00 22.01 N ATOM 57 CA ARG A 609 -8.633 0.106 -62.311 1.00 21.04 C ATOM 58 C ARG A 609 -8.213 1.368 -61.551 1.00 23.86 C ATOM 59 O ARG A 609 -9.037 2.251 -61.340 1.00 23.98 O ATOM 60 CB ARG A 609 -9.822 -0.602 -61.645 1.00 20.38 C ATOM 61 CG ARG A 609 -10.378 -1.737 -62.500 1.00 28.25 C ATOM 62 CD ARG A 609 -11.158 -1.268 -63.707 1.00 24.90 C ATOM 63 NE ARG A 609 -12.575 -1.104 -63.389 1.00 23.51 N ATOM 64 CZ ARG A 609 -13.156 0.059 -63.131 1.00 34.49 C ATOM 65 NH1 ARG A 609 -12.449 1.186 -63.163 1.00 24.07 N ATOM 66 NH2 ARG A 609 -14.449 0.110 -62.845 1.00 20.76 N ATOM 67 HE ARG A 609 -13.168 -1.958 -63.363 1.00 0.00 H ATOM 68 HH12 ARG A 609 -12.911 2.095 -62.960 1.00 0.00 H ATOM 69 HH11 ARG A 609 -11.435 1.157 -63.391 1.00 0.00 H ATOM 70 HH22 ARG A 609 -14.901 1.025 -62.643 1.00 0.00 H ATOM 71 HH21 ARG A 609 -15.011 -0.764 -62.822 1.00 0.00 H ATOM 72 H ARG A 609 -7.336 -1.519 -61.753 1.00 0.00 H ATOM 73 N LEU A 610 -6.928 1.463 -61.158 1.00 20.31 N ATOM 74 CA LEU A 610 -6.395 2.614 -60.436 1.00 20.36 C ATOM 75 C LEU A 610 -5.662 3.520 -61.408 1.00 26.69 C ATOM 76 O LEU A 610 -4.668 3.097 -62.001 1.00 26.93 O ATOM 77 CB LEU A 610 -5.431 2.172 -59.310 1.00 19.71 C ATOM 78 CG LEU A 610 -6.011 1.379 -58.137 1.00 22.43 C ATOM 79 CD1 LEU A 610 -4.905 0.780 -57.312 1.00 21.83 C ATOM 80 CD2 LEU A 610 -6.887 2.240 -57.260 1.00 22.48 C ATOM 81 H LEU A 610 -6.284 0.677 -61.380 1.00 0.00 H ATOM 82 N ARG A 611 -6.154 4.754 -61.582 1.00 24.01 N ATOM 83 CA ARG A 611 -5.531 5.740 -62.470 1.00 23.76 C ATOM 84 C ARG A 611 -4.840 6.807 -61.645 1.00 28.18 C ATOM 85 O ARG A 611 -5.519 7.578 -60.970 1.00 28.63 O ATOM 86 CB ARG A 611 -6.552 6.394 -63.417 1.00 21.77 C ATOM 87 CG ARG A 611 -5.883 7.362 -64.414 1.00 30.32 C ATOM 88 CD ARG A 611 -6.863 8.241 -65.150 1.00 30.47 C ATOM 89 NE ARG A 611 -7.720 7.472 -66.050 1.00 33.82 N ATOM 90 CZ ARG A 611 -9.040 7.404 -65.936 1.00 46.97 C ATOM 91 NH1 ARG A 611 -9.664 8.072 -64.974 1.00 27.60 N ATOM 92 NH2 ARG A 611 -9.748 6.682 -66.794 1.00 39.98 N ATOM 93 HE ARG A 611 -7.268 6.947 -66.826 1.00 0.00 H ATOM 94 HH12 ARG A 611 -10.699 8.015 -64.889 1.00 0.00 H ATOM 95 HH11 ARG A 611 -9.118 8.652 -64.305 1.00 0.00 H ATOM 96 HH22 ARG A 611 -10.783 6.631 -66.701 1.00 0.00 H ATOM 97 HH21 ARG A 611 -9.269 6.167 -67.560 1.00 0.00 H ATOM 98 H ARG A 611 -7.015 5.024 -61.065 1.00 0.00 H ATOM 99 N PHE A 612 -3.503 6.866 -61.725 1.00 24.33 N ATOM 100 CA PHE A 612 -2.672 7.839 -61.017 1.00 25.11 C ATOM 101 C PHE A 612 -3.016 9.285 -61.391 1.00 28.64 C ATOM 102 O PHE A 612 -3.276 9.591 -62.558 1.00 27.62 O ATOM 103 CB PHE A 612 -1.184 7.558 -61.291 1.00 27.65 C ATOM 104 CG PHE A 612 -0.193 8.557 -60.732 1.00 29.87 C ATOM 105 CD1 PHE A 612 0.067 8.617 -59.366 1.00 32.82 C ATOM 106 CD2 PHE A 612 0.543 9.378 -61.580 1.00 32.56 C ATOM 107 CE1 PHE A 612 1.003 9.524 -58.856 1.00 33.89 C ATOM 108 CE2 PHE A 612 1.497 10.267 -61.069 1.00 35.15 C ATOM 109 CZ PHE A 612 1.716 10.338 -59.712 1.00 32.94 C ATOM 110 H PHE A 612 -3.024 6.172 -62.333 1.00 0.00 H ATOM 111 N LYS A 613 -3.035 10.168 -60.385 1.00 24.04 N ATOM 112 CA LYS A 613 -3.331 11.573 -60.595 1.00 22.65 C ATOM 113 C LYS A 613 -2.211 12.418 -60.029 1.00 26.28 C ATOM 114 O LYS A 613 -1.569 13.167 -60.765 1.00 25.47 O ATOM 115 CB LYS A 613 -4.696 11.937 -59.999 1.00 24.82 C ATOM 116 CG LYS A 613 -5.849 11.671 -60.956 1.00 46.43 C ATOM 117 CD LYS A 613 -5.983 12.757 -62.035 1.00 58.87 C ATOM 118 H LYS A 613 -2.831 9.836 -59.421 1.00 0.00 H ATOM 119 N GLU A 614 -1.943 12.264 -58.728 1.00 22.71 N ATOM 120 CA GLU A 614 -0.870 12.983 -58.069 1.00 21.94 C ATOM 121 C GLU A 614 -0.292 12.207 -56.894 1.00 22.29 C ATOM 122 O GLU A 614 -1.003 11.475 -56.225 1.00 22.91 O ATOM 123 CB GLU A 614 -1.266 14.423 -57.677 1.00 23.27 C ATOM 124 CG GLU A 614 -2.591 14.569 -56.957 1.00 35.82 C ATOM 125 H GLU A 614 -2.524 11.606 -58.170 1.00 0.00 H ATOM 126 N LYS A 615 1.008 12.351 -56.677 1.00 14.75 N ATOM 127 CA LYS A 615 1.760 11.790 -55.568 1.00 13.43 C ATOM 128 C LYS A 615 1.310 12.621 -54.354 1.00 19.73 C ATOM 129 O LYS A 615 1.188 13.841 -54.475 1.00 19.27 O ATOM 130 CB LYS A 615 3.260 12.008 -55.834 1.00 14.64 C ATOM 131 CG LYS A 615 4.211 11.163 -55.016 1.00 20.29 C ATOM 132 CD LYS A 615 5.614 11.720 -55.132 1.00 27.97 C ATOM 133 CE LYS A 615 6.622 10.876 -54.400 1.00 51.02 C ATOM 134 NZ LYS A 615 8.015 11.268 -54.738 1.00 61.40 N ATOM 135 HZ1 LYS A 615 8.169 11.150 -55.760 1.00 0.00 H ATOM 136 HZ2 LYS A 615 8.167 12.263 -54.475 1.00 0.00 H ATOM 137 HZ3 LYS A 615 8.680 10.664 -54.214 1.00 0.00 H ATOM 138 H LYS A 615 1.540 12.920 -57.366 1.00 0.00 H ATOM 139 N LEU A 616 0.969 11.968 -53.231 1.00 18.25 N ATOM 140 CA LEU A 616 0.537 12.699 -52.032 1.00 18.22 C ATOM 141 C LEU A 616 1.672 12.844 -51.057 1.00 24.11 C ATOM 142 O LEU A 616 1.788 13.856 -50.385 1.00 27.46 O ATOM 143 CB LEU A 616 -0.701 12.081 -51.377 1.00 17.48 C ATOM 144 CG LEU A 616 -2.002 12.225 -52.180 1.00 21.13 C ATOM 145 CD1 LEU A 616 -3.099 11.286 -51.640 1.00 20.70 C ATOM 146 CD2 LEU A 616 -2.490 13.680 -52.211 1.00 22.88 C ATOM 147 H LEU A 616 1.011 10.929 -53.210 1.00 0.00 H ATOM 148 N GLY A 617 2.544 11.868 -51.059 1.00 19.99 N ATOM 149 CA GLY A 617 3.708 11.837 -50.205 1.00 20.16 C ATOM 150 C GLY A 617 4.597 10.659 -50.510 1.00 24.45 C ATOM 151 O GLY A 617 4.217 9.738 -51.235 1.00 22.64 O ATOM 152 H GLY A 617 2.390 11.072 -51.711 1.00 0.00 H ATOM 153 N GLU A 618 5.788 10.704 -49.944 1.00 24.88 N ATOM 154 CA GLU A 618 6.820 9.692 -50.091 1.00 25.72 C ATOM 155 C GLU A 618 7.215 9.213 -48.698 1.00 33.27 C ATOM 156 O GLU A 618 6.860 9.835 -47.690 1.00 33.04 O ATOM 157 CB GLU A 618 8.029 10.313 -50.822 1.00 26.92 C ATOM 158 CG GLU A 618 8.791 9.346 -51.710 1.00 35.48 C ATOM 159 CD GLU A 618 9.993 9.971 -52.391 1.00 47.74 C ATOM 160 H GLU A 618 6.005 11.527 -49.347 1.00 0.00 H ATOM 161 N GLY A 619 7.919 8.094 -48.664 1.00 32.88 N ATOM 162 CA GLY A 619 8.439 7.468 -47.456 1.00 33.04 C ATOM 163 C GLY A 619 9.683 6.681 -47.796 1.00 38.10 C ATOM 164 O GLY A 619 10.017 6.537 -48.974 1.00 38.20 O ATOM 165 H GLY A 619 8.117 7.624 -49.571 1.00 0.00 H ATOM 166 N GLN A 620 10.381 6.169 -46.776 1.00 35.54 N ATOM 167 CA GLN A 620 11.603 5.377 -46.963 1.00 35.35 C ATOM 168 C GLN A 620 11.313 4.015 -47.606 1.00 39.61 C ATOM 169 O GLN A 620 12.185 3.473 -48.285 1.00 39.84 O ATOM 170 CB GLN A 620 12.330 5.192 -45.621 1.00 36.64 C ATOM 171 H GLN A 620 10.043 6.340 -45.807 1.00 0.00 H ATOM 172 N PHE A 621 10.079 3.482 -47.417 1.00 35.45 N ATOM 173 CA PHE A 621 9.687 2.164 -47.930 1.00 34.64 C ATOM 174 C PHE A 621 8.535 2.161 -48.931 1.00 36.13 C ATOM 175 O PHE A 621 8.240 1.112 -49.505 1.00 35.78 O ATOM 176 CB PHE A 621 9.375 1.213 -46.764 1.00 36.60 C ATOM 177 CG PHE A 621 10.408 1.219 -45.658 1.00 37.82 C ATOM 178 CD1 PHE A 621 11.684 0.713 -45.872 1.00 40.29 C ATOM 179 CD2 PHE A 621 10.097 1.715 -44.399 1.00 40.01 C ATOM 180 CE1 PHE A 621 12.637 0.727 -44.852 1.00 41.40 C ATOM 181 CE2 PHE A 621 11.050 1.718 -43.374 1.00 42.67 C ATOM 182 CZ PHE A 621 12.308 1.213 -43.605 1.00 40.54 C ATOM 183 H PHE A 621 9.378 4.034 -46.883 1.00 0.00 H ATOM 184 N GLY A 622 7.917 3.315 -49.154 1.00 31.61 N ATOM 185 CA GLY A 622 6.824 3.431 -50.106 1.00 30.63 C ATOM 186 C GLY A 622 6.392 4.834 -50.474 1.00 31.49 C ATOM 187 O GLY A 622 6.928 5.822 -49.969 1.00 31.22 O ATOM 188 H GLY A 622 8.224 4.161 -48.632 1.00 0.00 H ATOM 189 N GLU A 623 5.387 4.909 -51.355 1.00 25.45 N ATOM 190 CA GLU A 623 4.813 6.149 -51.871 1.00 23.90 C ATOM 191 C GLU A 623 3.309 6.135 -51.712 1.00 24.92 C ATOM 192 O GLU A 623 2.693 5.076 -51.798 1.00 25.42 O ATOM 193 CB GLU A 623 5.162 6.326 -53.359 1.00 25.05 C ATOM 194 CG GLU A 623 6.622 6.646 -53.638 1.00 34.88 C ATOM 195 CD GLU A 623 6.968 7.201 -55.013 1.00 57.17 C ATOM 196 OE1 GLU A 623 6.047 7.605 -55.765 1.00 28.96 O ATOM 197 OE2 GLU A 623 8.182 7.289 -55.312 1.00 54.11 O ATOM 198 H GLU A 623 4.983 4.014 -51.699 1.00 0.00 H ATOM 199 N VAL A 624 2.715 7.309 -51.488 1.00 18.73 N ATOM 200 CA VAL A 624 1.257 7.466 -51.381 1.00 16.91 C ATOM 201 C VAL A 624 0.834 8.219 -52.644 1.00 17.19 C ATOM 202 O VAL A 624 1.464 9.233 -52.984 1.00 15.98 O ATOM 203 CB VAL A 624 0.817 8.215 -50.079 1.00 19.59 C ATOM 204 CG1 VAL A 624 -0.702 8.318 -49.968 1.00 18.45 C ATOM 205 CG2 VAL A 624 1.405 7.564 -48.832 1.00 19.70 C ATOM 206 H VAL A 624 3.312 8.154 -51.384 1.00 0.00 H ATOM 207 N HIS A 625 -0.215 7.737 -53.325 1.00 12.66 N ATOM 208 CA HIS A 625 -0.741 8.379 -54.537 1.00 13.03 C ATOM 209 C HIS A 625 -2.236 8.655 -54.481 1.00 16.94 C ATOM 210 O HIS A 625 -3.001 7.878 -53.919 1.00 15.83 O ATOM 211 CB HIS A 625 -0.435 7.546 -55.800 1.00 13.98 C ATOM 212 CG HIS A 625 1.024 7.380 -56.095 1.00 18.13 C ATOM 213 ND1 HIS A 625 1.509 6.228 -56.681 1.00 20.25 N ATOM 214 CD2 HIS A 625 2.059 8.229 -55.886 1.00 19.69 C ATOM 215 CE1 HIS A 625 2.822 6.392 -56.762 1.00 19.58 C ATOM 216 NE2 HIS A 625 3.197 7.582 -56.306 1.00 19.48 N ATOM 217 H HIS A 625 -0.676 6.871 -52.980 1.00 0.00 H ATOM 218 N LEU A 626 -2.656 9.753 -55.102 1.00 14.07 N ATOM 219 CA LEU A 626 -4.069 10.077 -55.273 1.00 13.22 C ATOM 220 C LEU A 626 -4.449 9.442 -56.620 1.00 18.39 C ATOM 221 O LEU A 626 -3.789 9.706 -57.620 1.00 18.80 O ATOM 222 CB LEU A 626 -4.313 11.591 -55.259 1.00 12.55 C ATOM 223 CG LEU A 626 -5.722 12.094 -55.601 1.00 16.37 C ATOM 224 CD1 LEU A 626 -6.820 11.362 -54.814 1.00 15.14 C ATOM 225 CD2 LEU A 626 -5.823 13.609 -55.446 1.00 17.75 C ATOM 226 H LEU A 626 -1.946 10.411 -55.483 1.00 0.00 H ATOM 227 N CYS A 627 -5.445 8.545 -56.615 1.00 15.00 N ATOM 228 CA CYS A 627 -5.896 7.804 -57.788 1.00 15.37 C ATOM 229 C CYS A 627 -7.393 8.001 -58.070 1.00 20.11 C ATOM 230 O CYS A 627 -8.194 8.168 -57.153 1.00 19.15 O ATOM 231 CB CYS A 627 -5.572 6.318 -57.628 1.00 16.39 C ATOM 232 SG CYS A 627 -3.813 5.897 -57.800 1.00 20.87 S ATOM 233 H CYS A 627 -5.930 8.365 -55.713 1.00 0.00 H ATOM 234 N GLU A 628 -7.764 7.909 -59.351 1.00 18.65 N ATOM 235 CA GLU A 628 -9.139 7.954 -59.826 1.00 18.39 C ATOM 236 C GLU A 628 -9.555 6.531 -60.171 1.00 21.52 C ATOM 237 O GLU A 628 -8.744 5.788 -60.733 1.00 19.74 O ATOM 238 CB GLU A 628 -9.243 8.782 -61.112 1.00 19.70 C ATOM 239 CG GLU A 628 -9.292 10.285 -60.901 1.00 32.94 C ATOM 240 CD GLU A 628 -9.166 11.134 -62.154 1.00 45.73 C ATOM 241 OE1 GLU A 628 -9.306 12.372 -62.034 1.00 32.51 O ATOM 242 OE2 GLU A 628 -8.882 10.581 -63.242 1.00 40.32 O ATOM 243 H GLU A 628 -7.013 7.797 -60.062 1.00 0.00 H ATOM 244 N VAL A 629 -10.816 6.156 -59.843 1.00 18.19 N ATOM 245 CA VAL A 629 -11.399 4.888 -60.262 1.00 19.13 C ATOM 246 C VAL A 629 -12.691 5.203 -61.061 1.00 25.27 C ATOM 247 O VAL A 629 -13.666 5.714 -60.498 1.00 23.27 O ATOM 248 CB VAL A 629 -11.555 3.748 -59.199 1.00 23.81 C ATOM 249 CG1 VAL A 629 -10.267 3.509 -58.417 1.00 23.79 C ATOM 250 CG2 VAL A 629 -12.719 3.977 -58.249 1.00 24.08 C ATOM 251 H VAL A 629 -11.393 6.802 -59.267 1.00 0.00 H ATOM 252 N ASP A 630 -12.645 4.987 -62.396 1.00 24.40 N ATOM 253 CA ASP A 630 -13.796 5.197 -63.295 1.00 25.05 C ATOM 254 C ASP A 630 -14.859 4.148 -62.974 1.00 28.32 C ATOM 255 O ASP A 630 -14.505 3.012 -62.668 1.00 27.05 O ATOM 256 CB ASP A 630 -13.356 5.091 -64.775 1.00 27.25 C ATOM 257 CG ASP A 630 -12.701 6.343 -65.358 1.00 39.54 C ATOM 258 OD1 ASP A 630 -12.272 7.215 -64.570 1.00 38.51 O ATOM 259 OD2 ASP A 630 -12.626 6.452 -66.609 1.00 49.19 O ATOM 260 H ASP A 630 -11.751 4.655 -62.810 1.00 0.00 H ATOM 261 N SER A 631 -16.152 4.530 -63.019 1.00 26.40 N ATOM 262 CA SER A 631 -17.301 3.666 -62.708 1.00 26.58 C ATOM 263 C SER A 631 -17.063 2.935 -61.359 1.00 30.45 C ATOM 264 O SER A 631 -16.922 1.709 -61.361 1.00 29.20 O ATOM 265 CB SER A 631 -17.571 2.671 -63.843 1.00 32.26 C ATOM 266 OG SER A 631 -17.579 3.282 -65.124 1.00 43.93 O ATOM 267 HG SER A 631 -17.757 2.595 -65.815 1.00 0.00 H ATOM 268 H SER A 631 -16.352 5.512 -63.295 1.00 0.00 H ATOM 269 N PRO A 632 -16.965 3.661 -60.208 1.00 28.19 N ATOM 270 CA PRO A 632 -16.649 2.985 -58.935 1.00 28.94 C ATOM 271 C PRO A 632 -17.627 1.907 -58.491 1.00 34.02 C ATOM 272 O PRO A 632 -17.228 1.014 -57.751 1.00 31.75 O ATOM 273 CB PRO A 632 -16.580 4.134 -57.926 1.00 30.76 C ATOM 274 CG PRO A 632 -17.386 5.239 -58.556 1.00 34.49 C ATOM 275 CD PRO A 632 -17.062 5.124 -60.008 1.00 29.59 C ATOM 276 N GLN A 633 -18.882 1.964 -58.983 1.00 34.04 N ATOM 277 CA GLN A 633 -19.951 0.986 -58.699 1.00 35.53 C ATOM 278 C GLN A 633 -19.585 -0.432 -59.232 1.00 39.90 C ATOM 279 O GLN A 633 -20.368 -1.367 -59.062 1.00 39.59 O ATOM 280 CB GLN A 633 -21.320 1.437 -59.299 1.00 37.30 C ATOM 281 CG GLN A 633 -21.496 2.924 -59.624 1.00 53.47 C ATOM 282 CD GLN A 633 -20.885 3.341 -60.948 1.00 71.85 C ATOM 283 OE1 GLN A 633 -21.074 2.711 -61.994 1.00 70.94 O ATOM 284 NE2 GLN A 633 -20.170 4.447 -60.939 1.00 57.61 N ATOM 285 HE22 GLN A 633 -20.022 4.963 -60.048 1.00 0.00 H ATOM 286 HE21 GLN A 633 -19.753 4.804 -61.822 1.00 0.00 H ATOM 287 H GLN A 633 -19.115 2.759 -59.612 1.00 0.00 H ATOM 288 N ASP A 634 -18.387 -0.565 -59.871 1.00 35.95 N ATOM 289 CA ASP A 634 -17.788 -1.758 -60.474 1.00 51.10 C ATOM 290 C ASP A 634 -18.648 -2.324 -61.596 1.00 90.64 C ATOM 291 O ASP A 634 -18.858 -1.640 -62.599 1.00 57.34 O ATOM 292 CB ASP A 634 -17.420 -2.823 -59.420 1.00 52.72 C ATOM 293 CG ASP A 634 -16.338 -2.385 -58.447 1.00 61.79 C ATOM 294 OD1 ASP A 634 -15.187 -2.161 -58.893 1.00 61.66 O ATOM 295 OD2 ASP A 634 -16.629 -2.305 -57.233 1.00 68.56 O ATOM 296 H ASP A 634 -17.819 0.303 -59.940 1.00 0.00 H TER 297 ASP A 634 ATOM 298 N HIS A 648 -16.798 13.026 -61.450 1.00 42.46 N ATOM 299 CA HIS A 648 -17.449 11.738 -61.697 1.00 41.81 C ATOM 300 C HIS A 648 -16.649 10.530 -61.176 1.00 42.23 C ATOM 301 O HIS A 648 -17.263 9.708 -60.488 1.00 42.46 O ATOM 302 CB HIS A 648 -17.810 11.565 -63.179 1.00 43.02 C ATOM 303 CG HIS A 648 -19.234 11.199 -63.420 1.00 47.13 C ATOM 304 ND1 HIS A 648 -19.575 10.115 -64.207 1.00 49.48 N ATOM 305 CD2 HIS A 648 -20.367 11.798 -62.983 1.00 49.57 C ATOM 306 CE1 HIS A 648 -20.899 10.087 -64.224 1.00 49.26 C ATOM 307 NE2 HIS A 648 -21.420 11.076 -63.490 1.00 49.56 N ATOM 308 HN3 HIS A 648 -15.871 13.041 -61.922 1.00 0.00 H ATOM 309 HN2 HIS A 648 -16.669 13.157 -60.426 1.00 0.00 H ATOM 310 HN1 HIS A 648 -17.393 13.792 -61.827 1.00 0.00 H ATOM 311 N PRO A 649 -15.330 10.351 -61.481 1.00 35.10 N ATOM 312 CA PRO A 649 -14.615 9.181 -60.923 1.00 33.52 C ATOM 313 C PRO A 649 -14.338 9.343 -59.426 1.00 31.64 C ATOM 314 O PRO A 649 -14.134 10.465 -58.955 1.00 33.14 O ATOM 315 CB PRO A 649 -13.305 9.147 -61.716 1.00 35.50 C ATOM 316 CG PRO A 649 -13.067 10.553 -62.115 1.00 40.50 C ATOM 317 CD PRO A 649 -14.422 11.194 -62.292 1.00 36.26 C ATOM 318 N LEU A 650 -14.333 8.233 -58.688 1.00 20.45 N ATOM 319 CA LEU A 650 -14.061 8.209 -57.257 1.00 17.13 C ATOM 320 C LEU A 650 -12.566 8.394 -56.999 1.00 18.89 C ATOM 321 O LEU A 650 -11.724 7.749 -57.642 1.00 18.08 O ATOM 322 CB LEU A 650 -14.546 6.866 -56.666 1.00 17.18 C ATOM 323 CG LEU A 650 -14.304 6.584 -55.174 1.00 21.48 C ATOM 324 CD1 LEU A 650 -15.372 7.232 -54.309 1.00 21.53 C ATOM 325 CD2 LEU A 650 -14.277 5.110 -54.911 1.00 24.04 C ATOM 326 H LEU A 650 -14.535 7.330 -59.162 1.00 0.00 H ATOM 327 N LEU A 651 -12.238 9.287 -56.062 1.00 15.12 N ATOM 328 CA LEU A 651 -10.856 9.542 -55.690 1.00 13.75 C ATOM 329 C LEU A 651 -10.536 8.642 -54.502 1.00 16.57 C ATOM 330 O LEU A 651 -11.413 8.425 -53.654 1.00 15.53 O ATOM 331 CB LEU A 651 -10.621 11.043 -55.401 1.00 13.07 C ATOM 332 CG LEU A 651 -10.789 11.955 -56.642 1.00 17.14 C ATOM 333 CD1 LEU A 651 -11.125 13.384 -56.266 1.00 15.79 C ATOM 334 CD2 LEU A 651 -9.585 11.896 -57.561 1.00 17.85 C ATOM 335 H LEU A 651 -12.995 9.816 -55.584 1.00 0.00 H ATOM 336 N VAL A 652 -9.333 8.022 -54.519 1.00 11.56 N ATOM 337 CA VAL A 652 -8.821 7.073 -53.509 1.00 11.30 C ATOM 338 C VAL A 652 -7.318 7.354 -53.152 1.00 17.65 C ATOM 339 O VAL A 652 -6.592 7.972 -53.935 1.00 17.34 O ATOM 340 CB VAL A 652 -9.051 5.569 -53.906 1.00 14.11 C ATOM 341 CG1 VAL A 652 -10.521 5.265 -54.204 1.00 13.41 C ATOM 342 CG2 VAL A 652 -8.172 5.141 -55.083 1.00 13.67 C ATOM 343 H VAL A 652 -8.707 8.235 -55.322 1.00 0.00 H ATOM 344 N ALA A 653 -6.867 6.893 -51.973 1.00 13.71 N ATOM 345 CA ALA A 653 -5.485 7.072 -51.540 1.00 12.80 C ATOM 346 C ALA A 653 -4.848 5.694 -51.529 1.00 18.24 C ATOM 347 O ALA A 653 -5.391 4.738 -50.940 1.00 19.28 O ATOM 348 CB ALA A 653 -5.429 7.719 -50.164 1.00 12.95 C ATOM 349 H ALA A 653 -7.527 6.390 -51.346 1.00 0.00 H ATOM 350 N VAL A 654 -3.751 5.565 -52.269 1.00 12.65 N ATOM 351 CA VAL A 654 -3.118 4.281 -52.467 1.00 12.89 C ATOM 352 C VAL A 654 -1.698 4.328 -51.961 1.00 17.30 C ATOM 353 O VAL A 654 -0.927 5.188 -52.386 1.00 16.59 O ATOM 354 CB VAL A 654 -3.202 3.880 -53.976 1.00 17.25 C ATOM 355 CG1 VAL A 654 -2.616 2.491 -54.239 1.00 16.71 C ATOM 356 CG2 VAL A 654 -4.645 3.956 -54.495 1.00 17.07 C ATOM 357 H VAL A 654 -3.338 6.408 -52.716 1.00 0.00 H ATOM 358 N LYS A 655 -1.356 3.413 -51.045 1.00 14.51 N ATOM 359 CA LYS A 655 0.001 3.298 -50.540 1.00 15.24 C ATOM 360 C LYS A 655 0.667 2.146 -51.284 1.00 21.05 C ATOM 361 O LYS A 655 0.176 1.024 -51.275 1.00 19.86 O ATOM 362 CB LYS A 655 0.035 3.123 -49.022 1.00 16.79 C ATOM 363 CG LYS A 655 1.446 3.209 -48.440 1.00 16.80 C ATOM 364 CD LYS A 655 1.452 3.507 -46.936 1.00 30.59 C ATOM 365 CE LYS A 655 1.259 2.301 -46.042 1.00 44.77 C ATOM 366 NZ LYS A 655 1.292 2.680 -44.602 1.00 53.83 N ATOM 367 HZ1 LYS A 655 2.211 3.112 -44.380 1.00 0.00 H ATOM 368 HZ2 LYS A 655 0.531 3.361 -44.407 1.00 0.00 H ATOM 369 HZ3 LYS A 655 1.157 1.830 -44.018 1.00 0.00 H ATOM 370 H LYS A 655 -2.085 2.765 -50.684 1.00 0.00 H ATOM 371 N ILE A 656 1.734 2.453 -51.992 1.00 20.99 N ATOM 372 CA ILE A 656 2.445 1.482 -52.814 1.00 21.48 C ATOM 373 C ILE A 656 3.795 1.266 -52.212 1.00 25.79 C ATOM 374 O ILE A 656 4.532 2.226 -51.988 1.00 26.19 O ATOM 375 CB ILE A 656 2.541 1.929 -54.311 1.00 25.23 C ATOM 376 CG1 ILE A 656 1.164 2.259 -54.911 1.00 25.67 C ATOM 377 CG2 ILE A 656 3.244 0.875 -55.170 1.00 27.00 C ATOM 378 CD1 ILE A 656 0.880 3.717 -54.964 1.00 34.66 C ATOM 379 H ILE A 656 2.085 3.432 -51.963 1.00 0.00 H ATOM 380 N LEU A 657 4.124 0.010 -51.946 1.00 22.50 N ATOM 381 CA LEU A 657 5.423 -0.336 -51.396 1.00 23.10 C ATOM 382 C LEU A 657 6.457 -0.385 -52.510 1.00 29.34 C ATOM 383 O LEU A 657 6.214 -1.002 -53.544 1.00 28.58 O ATOM 384 CB LEU A 657 5.341 -1.692 -50.678 1.00 22.83 C ATOM 385 CG LEU A 657 6.040 -1.797 -49.326 1.00 26.80 C ATOM 386 CD1 LEU A 657 5.518 -0.742 -48.330 1.00 26.07 C ATOM 387 CD2 LEU A 657 5.873 -3.199 -48.757 1.00 28.52 C ATOM 388 H LEU A 657 3.435 -0.746 -52.136 1.00 0.00 H ATOM 389 N ARG A 658 7.608 0.264 -52.298 1.00 28.80 N ATOM 390 CA ARG A 658 8.727 0.277 -53.253 1.00 29.87 C ATOM 391 C ARG A 658 9.224 -1.155 -53.476 1.00 35.02 C ATOM 392 O ARG A 658 9.224 -1.918 -52.520 1.00 34.06 O ATOM 393 CB ARG A 658 9.852 1.187 -52.745 1.00 30.91 C ATOM 394 CG ARG A 658 9.453 2.648 -52.813 1.00 41.67 C ATOM 395 CD ARG A 658 10.381 3.558 -52.057 1.00 52.13 C ATOM 396 NE ARG A 658 10.423 4.874 -52.691 1.00 61.89 N ATOM 397 CZ ARG A 658 11.081 5.923 -52.212 1.00 83.21 C ATOM 398 NH1 ARG A 658 11.747 5.833 -51.066 1.00 73.55 N ATOM 399 NH2 ARG A 658 11.078 7.070 -52.873 1.00 75.40 N ATOM 400 HE ARG A 658 9.900 4.998 -53.581 1.00 0.00 H ATOM 401 HH12 ARG A 658 12.260 6.659 -50.697 1.00 0.00 H ATOM 402 HH11 ARG A 658 11.755 4.937 -50.538 1.00 0.00 H ATOM 403 HH22 ARG A 658 11.595 7.890 -52.495 1.00 0.00 H ATOM 404 HH21 ARG A 658 10.559 7.152 -53.771 1.00 0.00 H ATOM 405 H ARG A 658 7.718 0.789 -51.407 1.00 0.00 H ATOM 406 N PRO A 659 9.600 -1.576 -54.707 1.00 34.57 N ATOM 407 CA PRO A 659 10.034 -2.977 -54.898 1.00 34.47 C ATOM 408 C PRO A 659 11.306 -3.375 -54.133 1.00 37.17 C ATOM 409 O PRO A 659 11.590 -4.566 -54.018 1.00 35.61 O ATOM 410 CB PRO A 659 10.196 -3.114 -56.417 1.00 36.35 C ATOM 411 CG PRO A 659 9.587 -1.893 -57.014 1.00 41.22 C ATOM 412 CD PRO A 659 9.665 -0.818 -55.974 1.00 37.03 C ATOM 413 N ASP A 660 12.044 -2.390 -53.584 1.00 33.85 N ATOM 414 CA ASP A 660 13.248 -2.646 -52.800 1.00 33.77 C ATOM 415 C ASP A 660 13.020 -2.406 -51.281 1.00 37.36 C ATOM 416 O ASP A 660 13.981 -2.257 -50.528 1.00 37.13 O ATOM 417 CB ASP A 660 14.450 -1.858 -53.369 1.00 35.56 C ATOM 418 CG ASP A 660 14.383 -0.351 -53.204 1.00 43.12 C ATOM 419 OD1 ASP A 660 14.793 0.147 -52.127 1.00 43.80 O ATOM 420 OD2 ASP A 660 13.996 0.338 -54.179 1.00 44.46 O ATOM 421 H ASP A 660 11.742 -1.405 -53.725 1.00 0.00 H ATOM 422 N ALA A 661 11.745 -2.406 -50.832 1.00 33.82 N ATOM 423 CA ALA A 661 11.390 -2.171 -49.425 1.00 32.91 C ATOM 424 C ALA A 661 11.742 -3.370 -48.573 1.00 35.10 C ATOM 425 O ALA A 661 11.621 -4.507 -49.037 1.00 34.87 O ATOM 426 CB ALA A 661 9.911 -1.856 -49.293 1.00 33.67 C ATOM 427 H ALA A 661 10.979 -2.580 -51.514 1.00 0.00 H ATOM 428 N THR A 662 12.156 -3.120 -47.319 1.00 29.81 N ATOM 429 CA THR A 662 12.565 -4.167 -46.378 1.00 29.27 C ATOM 430 C THR A 662 11.468 -5.201 -46.093 1.00 31.51 C ATOM 431 O THR A 662 10.276 -4.919 -46.266 1.00 31.00 O ATOM 432 CB THR A 662 13.116 -3.558 -45.066 1.00 37.27 C ATOM 433 OG1 THR A 662 12.067 -2.927 -44.328 1.00 39.52 O ATOM 434 CG2 THR A 662 14.277 -2.598 -45.297 1.00 34.30 C ATOM 435 HG1 THR A 662 12.437 -2.544 -43.493 1.00 0.00 H ATOM 436 H THR A 662 12.188 -2.131 -46.999 1.00 0.00 H ATOM 437 N LYS A 663 11.883 -6.404 -45.652 1.00 26.61 N ATOM 438 CA LYS A 663 10.964 -7.462 -45.251 1.00 25.56 C ATOM 439 C LYS A 663 10.168 -7.009 -43.994 1.00 26.25 C ATOM 440 O LYS A 663 9.028 -7.433 -43.818 1.00 26.99 O ATOM 441 CB LYS A 663 11.722 -8.769 -45.003 1.00 28.44 C ATOM 442 CG LYS A 663 11.932 -9.587 -46.270 1.00 42.33 C ATOM 443 H LYS A 663 12.905 -6.586 -45.595 1.00 0.00 H ATOM 444 N ASN A 664 10.751 -6.105 -43.173 1.00 19.20 N ATOM 445 CA ASN A 664 10.126 -5.521 -41.984 1.00 18.75 C ATOM 446 C ASN A 664 8.995 -4.556 -42.349 1.00 21.92 C ATOM 447 O ASN A 664 7.978 -4.524 -41.666 1.00 20.85 O ATOM 448 CB ASN A 664 11.163 -4.800 -41.124 1.00 20.96 C ATOM 449 CG ASN A 664 11.961 -5.675 -40.175 1.00 48.78 C ATOM 450 OD1 ASN A 664 11.985 -6.915 -40.264 1.00 47.26 O ATOM 451 ND2 ASN A 664 12.653 -5.035 -39.243 1.00 34.83 N ATOM 452 HD22 ASN A 664 12.617 -3.997 -39.189 1.00 0.00 H ATOM 453 HD21 ASN A 664 13.232 -5.571 -38.566 1.00 0.00 H ATOM 454 H ASN A 664 11.718 -5.801 -43.404 1.00 0.00 H ATOM 455 N ALA A 665 9.187 -3.770 -43.429 1.00 18.28 N ATOM 456 CA ALA A 665 8.235 -2.794 -43.950 1.00 17.10 C ATOM 457 C ALA A 665 7.057 -3.532 -44.578 1.00 19.58 C ATOM 458 O ALA A 665 5.892 -3.119 -44.419 1.00 17.49 O ATOM 459 CB ALA A 665 8.920 -1.923 -44.978 1.00 17.28 C ATOM 460 H ALA A 665 10.091 -3.868 -43.934 1.00 0.00 H ATOM 461 N ARG A 666 7.375 -4.664 -45.243 1.00 16.05 N ATOM 462 CA ARG A 666 6.422 -5.593 -45.847 1.00 15.60 C ATOM 463 C ARG A 666 5.559 -6.220 -44.736 1.00 17.84 C ATOM 464 O ARG A 666 4.351 -6.380 -44.908 1.00 17.04 O ATOM 465 CB ARG A 666 7.190 -6.688 -46.577 1.00 15.69 C ATOM 466 CG ARG A 666 6.390 -7.308 -47.690 1.00 24.39 C ATOM 467 CD ARG A 666 7.116 -8.435 -48.386 1.00 26.97 C ATOM 468 NE ARG A 666 6.167 -9.503 -48.701 1.00 37.04 N ATOM 469 CZ ARG A 666 5.472 -9.585 -49.829 1.00 49.33 C ATOM 470 NH1 ARG A 666 5.641 -8.684 -50.789 1.00 46.72 N ATOM 471 NH2 ARG A 666 4.614 -10.577 -50.013 1.00 26.93 N ATOM 472 HE ARG A 666 6.027 -10.250 -47.991 1.00 0.00 H ATOM 473 HH12 ARG A 666 5.093 -8.754 -51.670 1.00 0.00 H ATOM 474 HH11 ARG A 666 6.321 -7.908 -50.660 1.00 0.00 H ATOM 475 HH22 ARG A 666 4.071 -10.638 -50.898 1.00 0.00 H ATOM 476 HH21 ARG A 666 4.483 -11.295 -49.272 1.00 0.00 H ATOM 477 H ARG A 666 8.385 -4.894 -45.333 1.00 0.00 H ATOM 478 N ASN A 667 6.187 -6.567 -43.599 1.00 13.68 N ATOM 479 CA ASN A 667 5.494 -7.149 -42.447 1.00 13.52 C ATOM 480 C ASN A 667 4.469 -6.147 -41.868 1.00 15.32 C ATOM 481 O ASN A 667 3.279 -6.487 -41.751 1.00 15.09 O ATOM 482 CB ASN A 667 6.492 -7.614 -41.392 1.00 12.27 C ATOM 483 CG ASN A 667 5.861 -8.479 -40.342 1.00 29.70 C ATOM 484 OD1 ASN A 667 5.333 -9.563 -40.629 1.00 28.37 O ATOM 485 ND2 ASN A 667 5.862 -7.999 -39.113 1.00 16.57 N ATOM 486 HD22 ASN A 667 6.316 -7.085 -38.912 1.00 0.00 H ATOM 487 HD21 ASN A 667 5.409 -8.535 -38.345 1.00 0.00 H ATOM 488 H ASN A 667 7.214 -6.415 -43.534 1.00 0.00 H ATOM 489 N ASP A 668 4.926 -4.900 -41.579 1.00 9.33 N ATOM 490 CA ASP A 668 4.093 -3.799 -41.101 1.00 8.85 C ATOM 491 C ASP A 668 2.904 -3.539 -42.050 1.00 10.90 C ATOM 492 O ASP A 668 1.776 -3.414 -41.572 1.00 9.28 O ATOM 493 CB ASP A 668 4.917 -2.519 -40.943 1.00 11.55 C ATOM 494 CG ASP A 668 5.938 -2.517 -39.813 1.00 28.84 C ATOM 495 OD1 ASP A 668 5.829 -3.370 -38.908 1.00 32.76 O ATOM 496 OD2 ASP A 668 6.813 -1.628 -39.808 1.00 32.34 O ATOM 497 H ASP A 668 5.942 -4.716 -41.707 1.00 0.00 H ATOM 498 N PHE A 669 3.165 -3.519 -43.381 1.00 6.10 N ATOM 499 CA PHE A 669 2.194 -3.336 -44.452 1.00 6.15 C ATOM 500 C PHE A 669 1.095 -4.367 -44.408 1.00 13.63 C ATOM 501 O PHE A 669 -0.073 -3.989 -44.503 1.00 15.10 O ATOM 502 CB PHE A 669 2.869 -3.397 -45.849 1.00 7.54 C ATOM 503 CG PHE A 669 2.020 -2.834 -46.965 1.00 8.21 C ATOM 504 CD1 PHE A 669 1.090 -3.630 -47.627 1.00 11.09 C ATOM 505 CD2 PHE A 669 2.116 -1.498 -47.325 1.00 8.77 C ATOM 506 CE1 PHE A 669 0.284 -3.098 -48.647 1.00 10.60 C ATOM 507 CE2 PHE A 669 1.325 -0.975 -48.360 1.00 11.60 C ATOM 508 CZ PHE A 669 0.412 -1.779 -49.007 1.00 8.91 C ATOM 509 H PHE A 669 4.157 -3.647 -43.665 1.00 0.00 H ATOM 510 N LEU A 670 1.459 -5.674 -44.336 1.00 10.68 N ATOM 511 CA LEU A 670 0.483 -6.767 -44.306 1.00 10.40 C ATOM 512 C LEU A 670 -0.326 -6.765 -43.033 1.00 14.57 C ATOM 513 O LEU A 670 -1.549 -6.945 -43.096 1.00 15.01 O ATOM 514 CB LEU A 670 1.134 -8.139 -44.545 1.00 10.74 C ATOM 515 CG LEU A 670 1.755 -8.385 -45.925 1.00 15.11 C ATOM 516 CD1 LEU A 670 2.630 -9.621 -45.900 1.00 14.95 C ATOM 517 CD2 LEU A 670 0.668 -8.528 -46.995 1.00 17.64 C ATOM 518 H LEU A 670 2.472 -5.908 -44.301 1.00 0.00 H ATOM 519 N LYS A 671 0.330 -6.489 -41.882 1.00 10.79 N ATOM 520 CA LYS A 671 -0.376 -6.429 -40.591 1.00 10.80 C ATOM 521 C LYS A 671 -1.322 -5.249 -40.560 1.00 15.12 C ATOM 522 O LYS A 671 -2.418 -5.382 -40.035 1.00 15.70 O ATOM 523 CB LYS A 671 0.592 -6.358 -39.405 1.00 12.41 C ATOM 524 CG LYS A 671 1.264 -7.672 -39.089 1.00 11.36 C ATOM 525 CD LYS A 671 2.530 -7.472 -38.270 1.00 23.00 C ATOM 526 CE LYS A 671 2.299 -7.596 -36.787 1.00 31.98 C ATOM 527 NZ LYS A 671 3.550 -7.347 -36.029 1.00 31.32 N ATOM 528 HZ1 LYS A 671 4.270 -8.041 -36.313 1.00 0.00 H ATOM 529 HZ2 LYS A 671 3.893 -6.387 -36.234 1.00 0.00 H ATOM 530 HZ3 LYS A 671 3.361 -7.439 -35.010 1.00 0.00 H ATOM 531 H LYS A 671 1.355 -6.315 -41.910 1.00 0.00 H ATOM 532 N GLU A 672 -0.918 -4.113 -41.163 1.00 12.97 N ATOM 533 CA GLU A 672 -1.733 -2.903 -41.263 1.00 13.11 C ATOM 534 C GLU A 672 -3.004 -3.225 -42.053 1.00 17.96 C ATOM 535 O GLU A 672 -4.085 -2.861 -41.624 1.00 19.42 O ATOM 536 CB GLU A 672 -0.944 -1.728 -41.888 1.00 13.92 C ATOM 537 CG GLU A 672 -1.692 -0.398 -41.807 1.00 23.01 C ATOM 538 CD GLU A 672 -1.034 0.875 -42.321 1.00 46.90 C ATOM 539 OE1 GLU A 672 0.107 0.827 -42.842 1.00 21.20 O ATOM 540 OE2 GLU A 672 -1.675 1.941 -42.181 1.00 52.14 O ATOM 541 H GLU A 672 0.033 -4.096 -41.583 1.00 0.00 H ATOM 542 N VAL A 673 -2.869 -3.976 -43.153 1.00 14.66 N ATOM 543 CA VAL A 673 -3.972 -4.407 -44.018 1.00 13.05 C ATOM 544 C VAL A 673 -4.981 -5.235 -43.212 1.00 14.52 C ATOM 545 O VAL A 673 -6.172 -4.946 -43.285 1.00 13.42 O ATOM 546 CB VAL A 673 -3.428 -5.141 -45.268 1.00 15.91 C ATOM 547 CG1 VAL A 673 -4.471 -6.082 -45.886 1.00 15.22 C ATOM 548 CG2 VAL A 673 -2.901 -4.140 -46.298 1.00 15.87 C ATOM 549 H VAL A 673 -1.908 -4.277 -43.414 1.00 0.00 H ATOM 550 N LYS A 674 -4.490 -6.222 -42.424 1.00 10.90 N ATOM 551 CA LYS A 674 -5.273 -7.127 -41.563 1.00 11.03 C ATOM 552 C LYS A 674 -6.120 -6.356 -40.614 1.00 16.15 C ATOM 553 O LYS A 674 -7.343 -6.546 -40.606 1.00 15.12 O ATOM 554 CB LYS A 674 -4.367 -8.057 -40.749 1.00 12.75 C ATOM 555 CG LYS A 674 -3.771 -9.172 -41.564 1.00 11.43 C ATOM 556 CD LYS A 674 -2.964 -10.115 -40.714 1.00 20.61 C ATOM 557 CE LYS A 674 -2.229 -11.089 -41.601 1.00 38.30 C ATOM 558 NZ LYS A 674 -3.126 -12.107 -42.224 1.00 50.25 N ATOM 559 HZ1 LYS A 674 -3.598 -12.655 -41.477 1.00 0.00 H ATOM 560 HZ2 LYS A 674 -3.841 -11.627 -42.807 1.00 0.00 H ATOM 561 HZ3 LYS A 674 -2.562 -12.746 -42.820 1.00 0.00 H ATOM 562 H LYS A 674 -3.458 -6.354 -42.427 1.00 0.00 H ATOM 563 N ILE A 675 -5.468 -5.448 -39.834 1.00 13.54 N ATOM 564 CA ILE A 675 -6.087 -4.549 -38.846 1.00 12.86 C ATOM 565 C ILE A 675 -7.214 -3.723 -39.490 1.00 18.00 C ATOM 566 O ILE A 675 -8.345 -3.784 -39.014 1.00 20.57 O ATOM 567 CB ILE A 675 -5.005 -3.638 -38.170 1.00 15.25 C ATOM 568 CG1 ILE A 675 -3.956 -4.455 -37.393 1.00 15.01 C ATOM 569 CG2 ILE A 675 -5.612 -2.552 -37.271 1.00 16.43 C ATOM 570 CD1 ILE A 675 -2.502 -3.686 -37.215 1.00 8.22 C ATOM 571 H ILE A 675 -4.436 -5.384 -39.947 1.00 0.00 H ATOM 572 N MET A 676 -6.911 -2.968 -40.570 1.00 11.85 N ATOM 573 CA MET A 676 -7.858 -2.060 -41.234 1.00 10.23 C ATOM 574 C MET A 676 -9.077 -2.730 -41.841 1.00 13.39 C ATOM 575 O MET A 676 -10.169 -2.158 -41.782 1.00 12.83 O ATOM 576 CB MET A 676 -7.148 -1.211 -42.290 1.00 12.31 C ATOM 577 CG MET A 676 -6.081 -0.306 -41.709 1.00 14.99 C ATOM 578 SD MET A 676 -5.108 0.480 -42.994 1.00 18.08 S ATOM 579 CE MET A 676 -6.320 1.725 -43.570 1.00 15.37 C ATOM 580 H MET A 676 -5.947 -3.034 -40.955 1.00 0.00 H ATOM 581 N SER A 677 -8.898 -3.948 -42.394 1.00 9.57 N ATOM 582 CA SER A 677 -9.924 -4.761 -43.046 1.00 9.65 C ATOM 583 C SER A 677 -11.203 -4.991 -42.212 1.00 14.95 C ATOM 584 O SER A 677 -12.261 -5.230 -42.797 1.00 12.41 O ATOM 585 CB SER A 677 -9.338 -6.102 -43.479 1.00 10.86 C ATOM 586 OG SER A 677 -9.306 -7.016 -42.399 1.00 15.05 O ATOM 587 HG SER A 677 -8.747 -6.645 -41.671 1.00 0.00 H ATOM 588 H SER A 677 -7.938 -4.347 -42.353 1.00 0.00 H ATOM 589 N ARG A 678 -11.094 -4.928 -40.862 1.00 14.66 N ATOM 590 CA ARG A 678 -12.204 -5.139 -39.914 1.00 15.57 C ATOM 591 C ARG A 678 -13.007 -3.881 -39.622 1.00 19.18 C ATOM 592 O ARG A 678 -14.130 -3.985 -39.132 1.00 18.96 O ATOM 593 CB ARG A 678 -11.690 -5.671 -38.557 1.00 14.84 C ATOM 594 CG ARG A 678 -10.870 -6.947 -38.627 1.00 27.47 C ATOM 595 CD ARG A 678 -10.774 -7.639 -37.286 1.00 32.08 C ATOM 596 NE ARG A 678 -10.386 -6.747 -36.189 1.00 34.44 N ATOM 597 CZ ARG A 678 -11.157 -6.473 -35.139 1.00 46.95 C ATOM 598 NH1 ARG A 678 -12.369 -7.012 -35.035 1.00 28.77 N ATOM 599 NH2 ARG A 678 -10.722 -5.664 -34.182 1.00 34.70 N ATOM 600 HE ARG A 678 -9.448 -6.300 -36.234 1.00 0.00 H ATOM 601 HH12 ARG A 678 -12.966 -6.794 -34.212 1.00 0.00 H ATOM 602 HH11 ARG A 678 -12.719 -7.652 -35.777 1.00 0.00 H ATOM 603 HH22 ARG A 678 -11.328 -5.453 -33.364 1.00 0.00 H ATOM 604 HH21 ARG A 678 -9.775 -5.240 -34.250 1.00 0.00 H ATOM 605 H ARG A 678 -10.157 -4.715 -40.465 1.00 0.00 H ATOM 606 N LEU A 679 -12.413 -2.704 -39.857 1.00 16.34 N ATOM 607 CA LEU A 679 -13.014 -1.420 -39.518 1.00 15.95 C ATOM 608 C LEU A 679 -13.863 -0.852 -40.644 1.00 19.36 C ATOM 609 O LEU A 679 -13.347 -0.308 -41.627 1.00 18.91 O ATOM 610 CB LEU A 679 -11.956 -0.408 -39.009 1.00 15.69 C ATOM 611 CG LEU A 679 -10.864 -0.970 -38.052 1.00 20.08 C ATOM 612 CD1 LEU A 679 -9.789 0.040 -37.778 1.00 18.91 C ATOM 613 CD2 LEU A 679 -11.449 -1.523 -36.758 1.00 23.87 C ATOM 614 H LEU A 679 -11.474 -2.706 -40.305 1.00 0.00 H ATOM 615 N LYS A 680 -15.194 -0.993 -40.481 1.00 14.19 N ATOM 616 CA LYS A 680 -16.185 -0.531 -41.440 1.00 12.93 C ATOM 617 C LYS A 680 -17.242 0.303 -40.689 1.00 14.21 C ATOM 618 O LYS A 680 -18.216 -0.232 -40.154 1.00 11.01 O ATOM 619 CB LYS A 680 -16.831 -1.714 -42.214 1.00 15.62 C ATOM 620 CG LYS A 680 -15.879 -2.744 -42.845 1.00 28.35 C ATOM 621 CD LYS A 680 -15.195 -2.249 -44.124 1.00 35.02 C ATOM 622 CE LYS A 680 -13.915 -3.007 -44.397 1.00 32.70 C ATOM 623 NZ LYS A 680 -13.345 -2.704 -45.734 1.00 20.45 N ATOM 624 HZ1 LYS A 680 -14.033 -2.963 -46.470 1.00 0.00 H ATOM 625 HZ2 LYS A 680 -13.134 -1.688 -45.797 1.00 0.00 H ATOM 626 HZ3 LYS A 680 -12.470 -3.250 -45.868 1.00 0.00 H ATOM 627 H LYS A 680 -15.533 -1.461 -39.616 1.00 0.00 H ATOM 628 N ASP A 681 -17.012 1.621 -40.629 1.00 10.10 N ATOM 629 CA ASP A 681 -17.893 2.574 -39.968 1.00 9.02 C ATOM 630 C ASP A 681 -17.764 3.920 -40.718 1.00 14.07 C ATOM 631 O ASP A 681 -16.700 4.158 -41.316 1.00 14.89 O ATOM 632 CB ASP A 681 -17.503 2.693 -38.479 1.00 9.92 C ATOM 633 CG ASP A 681 -18.390 3.609 -37.658 1.00 15.50 C ATOM 634 OD1 ASP A 681 -19.509 3.179 -37.279 1.00 17.29 O ATOM 635 OD2 ASP A 681 -18.013 4.772 -37.469 1.00 14.90 O ATOM 636 H ASP A 681 -16.151 1.987 -41.083 1.00 0.00 H ATOM 637 N PRO A 682 -18.806 4.788 -40.751 1.00 9.60 N ATOM 638 CA PRO A 682 -18.668 6.056 -41.487 1.00 10.42 C ATOM 639 C PRO A 682 -17.638 7.035 -40.926 1.00 14.29 C ATOM 640 O PRO A 682 -17.123 7.849 -41.681 1.00 14.50 O ATOM 641 CB PRO A 682 -20.086 6.654 -41.482 1.00 13.08 C ATOM 642 CG PRO A 682 -20.994 5.581 -40.954 1.00 17.23 C ATOM 643 CD PRO A 682 -20.151 4.660 -40.148 1.00 12.38 C ATOM 644 N ASN A 683 -17.303 6.939 -39.622 1.00 9.92 N ATOM 645 CA ASN A 683 -16.327 7.831 -39.020 1.00 7.69 C ATOM 646 C ASN A 683 -14.957 7.153 -38.782 1.00 10.78 C ATOM 647 O ASN A 683 -14.187 7.589 -37.924 1.00 10.75 O ATOM 648 CB ASN A 683 -16.915 8.484 -37.766 1.00 3.00 C ATOM 649 CG ASN A 683 -18.100 9.336 -38.152 1.00 20.94 C ATOM 650 OD1 ASN A 683 -19.246 8.999 -37.875 1.00 6.01 O ATOM 651 ND2 ASN A 683 -17.871 10.335 -38.994 1.00 13.38 N ATOM 652 HD22 ASN A 683 -16.894 10.611 -39.220 1.00 0.00 H ATOM 653 HD21 ASN A 683 -18.668 10.843 -39.428 1.00 0.00 H ATOM 654 H ASN A 683 -17.754 6.209 -39.034 1.00 0.00 H ATOM 655 N ILE A 684 -14.650 6.109 -39.561 1.00 7.49 N ATOM 656 CA ILE A 684 -13.357 5.392 -39.467 1.00 8.69 C ATOM 657 C ILE A 684 -12.856 5.225 -40.876 1.00 10.25 C ATOM 658 O ILE A 684 -13.650 4.883 -41.745 1.00 10.36 O ATOM 659 CB ILE A 684 -13.465 3.979 -38.754 1.00 12.37 C ATOM 660 CG1 ILE A 684 -14.041 4.069 -37.305 1.00 12.90 C ATOM 661 CG2 ILE A 684 -12.128 3.197 -38.781 1.00 12.09 C ATOM 662 CD1 ILE A 684 -13.144 4.781 -36.247 1.00 16.37 C ATOM 663 H ILE A 684 -15.348 5.788 -40.262 1.00 0.00 H ATOM 664 N ILE A 685 -11.560 5.428 -41.100 1.00 5.07 N ATOM 665 CA ILE A 685 -10.928 5.209 -42.395 1.00 7.29 C ATOM 666 C ILE A 685 -11.269 3.815 -42.945 1.00 15.16 C ATOM 667 O ILE A 685 -11.186 2.806 -42.227 1.00 14.40 O ATOM 668 CB ILE A 685 -9.399 5.491 -42.347 1.00 11.77 C ATOM 669 CG1 ILE A 685 -8.797 5.650 -43.766 1.00 13.68 C ATOM 670 CG2 ILE A 685 -8.629 4.457 -41.503 1.00 11.79 C ATOM 671 CD1 ILE A 685 -9.062 7.060 -44.453 1.00 21.71 C ATOM 672 H ILE A 685 -10.968 5.760 -40.311 1.00 0.00 H ATOM 673 N ARG A 686 -11.725 3.778 -44.201 1.00 13.03 N ATOM 674 CA ARG A 686 -12.101 2.522 -44.826 1.00 12.15 C ATOM 675 C ARG A 686 -11.034 2.042 -45.767 1.00 14.43 C ATOM 676 O ARG A 686 -10.536 2.816 -46.589 1.00 11.80 O ATOM 677 CB ARG A 686 -13.438 2.662 -45.591 1.00 11.33 C ATOM 678 CG ARG A 686 -14.172 1.345 -45.771 1.00 17.29 C ATOM 679 CD ARG A 686 -15.449 1.527 -46.573 1.00 30.50 C ATOM 680 NE ARG A 686 -16.282 0.322 -46.573 1.00 36.99 N ATOM 681 CZ ARG A 686 -17.319 0.121 -45.763 1.00 54.57 C ATOM 682 NH1 ARG A 686 -18.023 -1.002 -45.842 1.00 33.92 N ATOM 683 NH2 ARG A 686 -17.664 1.044 -44.871 1.00 48.85 N ATOM 684 HE ARG A 686 -16.047 -0.429 -47.253 1.00 0.00 H ATOM 685 HH12 ARG A 686 -18.832 -1.154 -45.207 1.00 0.00 H ATOM 686 HH11 ARG A 686 -17.765 -1.729 -46.539 1.00 0.00 H ATOM 687 HH22 ARG A 686 -18.475 0.881 -44.241 1.00 0.00 H ATOM 688 HH21 ARG A 686 -17.123 1.929 -44.803 1.00 0.00 H ATOM 689 H ARG A 686 -11.812 4.663 -44.740 1.00 0.00 H ATOM 690 N LEU A 687 -10.743 0.738 -45.684 1.00 12.12 N ATOM 691 CA LEU A 687 -9.867 0.014 -46.601 1.00 12.07 C ATOM 692 C LEU A 687 -10.835 -0.445 -47.686 1.00 15.25 C ATOM 693 O LEU A 687 -11.794 -1.179 -47.412 1.00 15.39 O ATOM 694 CB LEU A 687 -9.212 -1.191 -45.897 1.00 11.95 C ATOM 695 CG LEU A 687 -8.193 -2.039 -46.700 1.00 16.31 C ATOM 696 CD1 LEU A 687 -6.876 -1.289 -46.946 1.00 14.50 C ATOM 697 CD2 LEU A 687 -7.877 -3.316 -45.961 1.00 19.15 C ATOM 698 H LEU A 687 -11.174 0.199 -44.906 1.00 0.00 H ATOM 699 N LEU A 688 -10.655 0.093 -48.885 1.00 9.92 N ATOM 700 CA LEU A 688 -11.490 -0.178 -50.045 1.00 7.89 C ATOM 701 C LEU A 688 -11.081 -1.447 -50.724 1.00 11.78 C ATOM 702 O LEU A 688 -11.937 -2.247 -51.108 1.00 12.32 O ATOM 703 CB LEU A 688 -11.451 1.014 -51.013 1.00 8.32 C ATOM 704 CG LEU A 688 -12.074 2.340 -50.495 1.00 14.02 C ATOM 705 CD1 LEU A 688 -12.258 3.348 -51.636 1.00 15.61 C ATOM 706 CD2 LEU A 688 -13.437 2.121 -49.842 1.00 11.47 C ATOM 707 H LEU A 688 -9.862 0.755 -49.004 1.00 0.00 H ATOM 708 N GLY A 689 -9.769 -1.649 -50.824 1.00 7.83 N ATOM 709 CA GLY A 689 -9.187 -2.817 -51.435 1.00 7.48 C ATOM 710 C GLY A 689 -7.703 -2.865 -51.201 1.00 13.41 C ATOM 711 O GLY A 689 -7.131 -1.931 -50.647 1.00 12.44 O ATOM 712 H GLY A 689 -9.129 -0.924 -50.440 1.00 0.00 H ATOM 713 N VAL A 690 -7.089 -3.972 -51.613 1.00 12.02 N ATOM 714 CA VAL A 690 -5.669 -4.286 -51.479 1.00 13.27 C ATOM 715 C VAL A 690 -5.236 -5.050 -52.736 1.00 20.31 C ATOM 716 O VAL A 690 -6.037 -5.810 -53.291 1.00 20.85 O ATOM 717 CB VAL A 690 -5.356 -5.139 -50.186 1.00 17.17 C ATOM 718 CG1 VAL A 690 -5.795 -4.439 -48.896 1.00 16.73 C ATOM 719 CG2 VAL A 690 -5.950 -6.548 -50.253 1.00 16.74 C ATOM 720 H VAL A 690 -7.682 -4.688 -52.079 1.00 0.00 H ATOM 721 N CYS A 691 -3.981 -4.870 -53.165 1.00 18.52 N ATOM 722 CA CYS A 691 -3.370 -5.637 -54.256 1.00 18.81 C ATOM 723 C CYS A 691 -2.178 -6.318 -53.608 1.00 19.74 C ATOM 724 O CYS A 691 -1.174 -5.658 -53.358 1.00 17.12 O ATOM 725 CB CYS A 691 -2.939 -4.738 -55.408 1.00 20.14 C ATOM 726 SG CYS A 691 -4.223 -3.602 -55.972 1.00 24.97 S ATOM 727 H CYS A 691 -3.404 -4.142 -52.697 1.00 0.00 H ATOM 728 N VAL A 692 -2.311 -7.601 -53.228 1.00 17.51 N ATOM 729 CA VAL A 692 -1.195 -8.263 -52.535 1.00 18.36 C ATOM 730 C VAL A 692 -0.728 -9.601 -53.198 1.00 27.23 C ATOM 731 O VAL A 692 0.405 -10.038 -52.930 1.00 26.96 O ATOM 732 CB VAL A 692 -1.438 -8.440 -51.009 1.00 20.62 C ATOM 733 CG1 VAL A 692 -1.506 -7.087 -50.286 1.00 19.71 C ATOM 734 CG2 VAL A 692 -2.663 -9.311 -50.714 1.00 20.05 C ATOM 735 H VAL A 692 -3.192 -8.119 -53.422 1.00 0.00 H ATOM 736 N GLN A 693 -1.563 -10.227 -54.069 1.00 26.36 N ATOM 737 CA GLN A 693 -1.204 -11.491 -54.750 1.00 27.25 C ATOM 738 C GLN A 693 -0.001 -11.349 -55.703 1.00 32.44 C ATOM 739 O GLN A 693 0.540 -12.356 -56.154 1.00 31.95 O ATOM 740 CB GLN A 693 -2.403 -12.131 -55.475 1.00 29.06 C ATOM 741 CG GLN A 693 -3.753 -12.007 -54.751 1.00 53.84 C ATOM 742 CD GLN A 693 -4.221 -13.235 -54.024 1.00 79.82 C ATOM 743 OE1 GLN A 693 -4.058 -14.370 -54.482 1.00 79.10 O ATOM 744 NE2 GLN A 693 -4.900 -13.021 -52.905 1.00 74.23 N ATOM 745 HE22 GLN A 693 -5.019 -12.052 -52.546 1.00 0.00 H ATOM 746 HE21 GLN A 693 -5.313 -13.822 -52.386 1.00 0.00 H ATOM 747 H GLN A 693 -2.491 -9.801 -54.265 1.00 0.00 H ATOM 748 N ASP A 694 0.422 -10.093 -55.971 1.00 30.45 N ATOM 749 CA ASP A 694 1.544 -9.684 -56.823 1.00 30.49 C ATOM 750 C ASP A 694 2.137 -8.331 -56.357 1.00 35.86 C ATOM 751 O ASP A 694 1.468 -7.553 -55.666 1.00 35.06 O ATOM 752 CB ASP A 694 1.084 -9.587 -58.289 1.00 32.72 C ATOM 753 H ASP A 694 -0.113 -9.324 -55.519 1.00 0.00 H ATOM 754 N ASP A 695 3.395 -8.073 -56.742 1.00 33.32 N ATOM 755 CA ASP A 695 4.176 -6.868 -56.447 1.00 33.12 C ATOM 756 C ASP A 695 3.968 -5.737 -57.496 1.00 36.59 C ATOM 757 O ASP A 695 3.797 -6.037 -58.687 1.00 36.71 O ATOM 758 CB ASP A 695 5.672 -7.228 -56.406 1.00 35.02 C ATOM 759 CG ASP A 695 6.138 -7.917 -55.144 1.00 49.32 C ATOM 760 OD1 ASP A 695 5.298 -8.560 -54.468 1.00 51.83 O ATOM 761 OD2 ASP A 695 7.346 -7.832 -54.838 1.00 55.97 O ATOM 762 H ASP A 695 3.867 -8.805 -57.310 1.00 0.00 H ATOM 763 N PRO A 696 4.052 -4.434 -57.114 1.00 30.11 N ATOM 764 CA PRO A 696 4.246 -3.878 -55.760 1.00 28.15 C ATOM 765 C PRO A 696 2.994 -3.959 -54.883 1.00 29.08 C ATOM 766 O PRO A 696 1.881 -3.888 -55.400 1.00 28.83 O ATOM 767 CB PRO A 696 4.648 -2.434 -56.050 1.00 29.84 C ATOM 768 CG PRO A 696 3.928 -2.090 -57.312 1.00 34.76 C ATOM 769 CD PRO A 696 3.884 -3.361 -58.117 1.00 30.99 C ATOM 770 N LEU A 697 3.166 -4.105 -53.563 1.00 24.14 N ATOM 771 CA LEU A 697 2.023 -4.178 -52.640 1.00 23.08 C ATOM 772 C LEU A 697 1.271 -2.848 -52.558 1.00 26.03 C ATOM 773 O LEU A 697 1.888 -1.813 -52.291 1.00 24.26 O ATOM 774 CB LEU A 697 2.457 -4.611 -51.225 1.00 22.59 C ATOM 775 CG LEU A 697 3.274 -5.891 -51.051 1.00 26.32 C ATOM 776 CD1 LEU A 697 3.395 -6.223 -49.598 1.00 26.16 C ATOM 777 CD2 LEU A 697 2.650 -7.082 -51.777 1.00 28.05 C ATOM 778 H LEU A 697 4.131 -4.168 -53.181 1.00 0.00 H ATOM 779 N CYS A 698 -0.057 -2.888 -52.779 1.00 23.36 N ATOM 780 CA CYS A 698 -0.945 -1.719 -52.721 1.00 23.27 C ATOM 781 C CYS A 698 -2.006 -1.906 -51.690 1.00 23.39 C ATOM 782 O CYS A 698 -2.615 -2.976 -51.616 1.00 21.05 O ATOM 783 CB CYS A 698 -1.606 -1.434 -54.070 1.00 24.41 C ATOM 784 SG CYS A 698 -0.470 -1.252 -55.453 1.00 28.71 S ATOM 785 H CYS A 698 -0.483 -3.809 -53.006 1.00 0.00 H ATOM 786 N MET A 699 -2.371 -0.798 -51.041 1.00 19.64 N ATOM 787 CA MET A 699 -3.515 -0.726 -50.128 1.00 18.86 C ATOM 788 C MET A 699 -4.284 0.536 -50.500 1.00 17.06 C ATOM 789 O MET A 699 -3.667 1.551 -50.760 1.00 14.29 O ATOM 790 CB MET A 699 -3.136 -0.867 -48.644 1.00 21.57 C ATOM 791 CG MET A 699 -2.374 0.284 -48.062 1.00 26.65 C ATOM 792 SD MET A 699 -2.796 0.525 -46.320 1.00 32.45 S ATOM 793 CE MET A 699 -4.249 1.384 -46.509 1.00 29.41 C ATOM 794 H MET A 699 -1.810 0.065 -51.192 1.00 0.00 H ATOM 795 N ILE A 700 -5.605 0.425 -50.661 1.00 13.52 N ATOM 796 CA ILE A 700 -6.474 1.482 -51.163 1.00 14.04 C ATOM 797 C ILE A 700 -7.488 1.934 -50.123 1.00 20.84 C ATOM 798 O ILE A 700 -8.314 1.134 -49.688 1.00 20.90 O ATOM 799 CB ILE A 700 -7.183 0.977 -52.455 1.00 17.66 C ATOM 800 CG1 ILE A 700 -6.174 0.554 -53.553 1.00 17.26 C ATOM 801 CG2 ILE A 700 -8.184 1.999 -52.994 1.00 20.84 C ATOM 802 CD1 ILE A 700 -6.115 -0.924 -53.808 1.00 13.19 C ATOM 803 H ILE A 700 -6.046 -0.483 -50.410 1.00 0.00 H ATOM 804 N THR A 701 -7.480 3.230 -49.788 1.00 17.16 N ATOM 805 CA THR A 701 -8.438 3.806 -48.833 1.00 16.52 C ATOM 806 C THR A 701 -9.225 4.951 -49.445 1.00 18.90 C ATOM 807 O THR A 701 -8.982 5.317 -50.593 1.00 17.94 O ATOM 808 CB THR A 701 -7.701 4.337 -47.606 1.00 21.94 C ATOM 809 OG1 THR A 701 -6.667 5.200 -48.044 1.00 20.95 O ATOM 810 CG2 THR A 701 -7.148 3.250 -46.745 1.00 20.54 C ATOM 811 HG1 THR A 701 -6.042 4.697 -48.624 1.00 0.00 H ATOM 812 H THR A 701 -6.769 3.854 -50.220 1.00 0.00 H ATOM 813 N ASP A 702 -10.127 5.565 -48.658 1.00 15.97 N ATOM 814 CA ASP A 702 -10.867 6.764 -49.075 1.00 15.27 C ATOM 815 C ASP A 702 -9.888 7.928 -49.203 1.00 17.82 C ATOM 816 O ASP A 702 -8.854 7.948 -48.519 1.00 15.83 O ATOM 817 CB ASP A 702 -11.862 7.205 -48.005 1.00 17.07 C ATOM 818 CG ASP A 702 -12.620 6.120 -47.316 1.00 25.55 C ATOM 819 OD1 ASP A 702 -13.475 5.493 -47.971 1.00 26.56 O ATOM 820 OD2 ASP A 702 -12.433 5.962 -46.088 1.00 30.93 O ATOM 821 H ASP A 702 -10.309 5.173 -47.712 1.00 0.00 H ATOM 822 N TYR A 703 -10.239 8.923 -50.037 1.00 13.46 N ATOM 823 CA TYR A 703 -9.439 10.133 -50.123 1.00 11.75 C ATOM 824 C TYR A 703 -10.181 11.222 -49.350 1.00 15.44 C ATOM 825 O TYR A 703 -11.348 11.525 -49.648 1.00 14.69 O ATOM 826 CB TYR A 703 -9.152 10.565 -51.572 1.00 11.31 C ATOM 827 CG TYR A 703 -8.300 11.816 -51.646 1.00 9.22 C ATOM 828 CD1 TYR A 703 -6.992 11.821 -51.168 1.00 11.87 C ATOM 829 CD2 TYR A 703 -8.790 12.984 -52.219 1.00 9.26 C ATOM 830 CE1 TYR A 703 -6.206 12.977 -51.213 1.00 13.68 C ATOM 831 CE2 TYR A 703 -8.009 14.143 -52.288 1.00 10.31 C ATOM 832 CZ TYR A 703 -6.714 14.132 -51.789 1.00 18.74 C ATOM 833 OH TYR A 703 -5.933 15.259 -51.860 1.00 15.61 O ATOM 834 HH TYR A 703 -5.819 15.521 -52.808 1.00 0.00 H ATOM 835 H TYR A 703 -11.091 8.826 -50.626 1.00 0.00 H ATOM 836 N MET A 704 -9.515 11.758 -48.314 1.00 11.13 N ATOM 837 CA MET A 704 -10.041 12.814 -47.458 1.00 10.09 C ATOM 838 C MET A 704 -9.343 14.099 -47.874 1.00 16.43 C ATOM 839 O MET A 704 -8.207 14.374 -47.484 1.00 17.82 O ATOM 840 CB MET A 704 -9.849 12.453 -45.978 1.00 11.54 C ATOM 841 CG MET A 704 -10.493 11.114 -45.592 1.00 14.02 C ATOM 842 SD MET A 704 -12.300 11.044 -45.768 1.00 16.69 S ATOM 843 CE MET A 704 -12.788 11.903 -44.339 1.00 12.65 C ATOM 844 H MET A 704 -8.562 11.396 -48.109 1.00 0.00 H ATOM 845 N GLU A 705 -10.004 14.832 -48.767 1.00 14.26 N ATOM 846 CA GLU A 705 -9.489 16.013 -49.460 1.00 13.86 C ATOM 847 C GLU A 705 -8.957 17.128 -48.579 1.00 17.32 C ATOM 848 O GLU A 705 -7.977 17.750 -48.968 1.00 17.63 O ATOM 849 CB GLU A 705 -10.503 16.583 -50.467 1.00 14.77 C ATOM 850 CG GLU A 705 -11.815 17.095 -49.919 1.00 22.05 C ATOM 851 CD GLU A 705 -12.739 17.675 -50.977 1.00 44.19 C ATOM 852 OE1 GLU A 705 -12.590 17.331 -52.174 1.00 32.95 O ATOM 853 OE2 GLU A 705 -13.634 18.465 -50.600 1.00 28.32 O ATOM 854 H GLU A 705 -10.976 14.538 -48.993 1.00 0.00 H ATOM 855 N ASN A 706 -9.552 17.365 -47.409 1.00 12.25 N ATOM 856 CA ASN A 706 -9.133 18.472 -46.574 1.00 11.93 C ATOM 857 C ASN A 706 -7.974 18.183 -45.608 1.00 16.00 C ATOM 858 O ASN A 706 -7.635 19.059 -44.818 1.00 18.22 O ATOM 859 CB ASN A 706 -10.322 19.065 -45.864 1.00 10.34 C ATOM 860 CG ASN A 706 -11.125 19.857 -46.865 1.00 22.68 C ATOM 861 OD1 ASN A 706 -10.603 20.777 -47.483 1.00 13.47 O ATOM 862 ND2 ASN A 706 -12.302 19.367 -47.241 1.00 14.43 N ATOM 863 HD22 ASN A 706 -12.734 18.586 -46.708 1.00 0.00 H ATOM 864 HD21 ASN A 706 -12.791 19.765 -48.068 1.00 0.00 H ATOM 865 H ASN A 706 -10.326 16.747 -47.092 1.00 0.00 H ATOM 866 N GLY A 707 -7.301 17.044 -45.755 1.00 10.39 N ATOM 867 CA GLY A 707 -6.154 16.698 -44.909 1.00 9.18 C ATOM 868 C GLY A 707 -6.546 16.349 -43.486 1.00 8.68 C ATOM 869 O GLY A 707 -7.707 16.030 -43.228 1.00 6.53 O ATOM 870 H GLY A 707 -7.599 16.377 -46.495 1.00 0.00 H ATOM 871 N ASP A 708 -5.591 16.394 -42.550 1.00 5.96 N ATOM 872 CA ASP A 708 -5.900 16.095 -41.150 1.00 5.38 C ATOM 873 C ASP A 708 -6.649 17.267 -40.479 1.00 9.72 C ATOM 874 O ASP A 708 -6.621 18.397 -40.982 1.00 10.88 O ATOM 875 CB ASP A 708 -4.675 15.613 -40.344 1.00 6.41 C ATOM 876 CG ASP A 708 -3.620 16.652 -40.016 1.00 11.99 C ATOM 877 OD1 ASP A 708 -3.960 17.656 -39.362 1.00 10.99 O ATOM 878 OD2 ASP A 708 -2.429 16.391 -40.283 1.00 15.58 O ATOM 879 H ASP A 708 -4.618 16.644 -42.820 1.00 0.00 H ATOM 880 N LEU A 709 -7.307 16.993 -39.357 1.00 5.93 N ATOM 881 CA LEU A 709 -8.089 17.970 -38.601 1.00 6.35 C ATOM 882 C LEU A 709 -7.233 19.062 -37.974 1.00 11.55 C ATOM 883 O LEU A 709 -7.707 20.202 -37.923 1.00 12.04 O ATOM 884 CB LEU A 709 -8.997 17.279 -37.575 1.00 6.25 C ATOM 885 CG LEU A 709 -10.080 18.117 -36.869 1.00 10.45 C ATOM 886 CD1 LEU A 709 -11.091 18.758 -37.859 1.00 9.31 C ATOM 887 CD2 LEU A 709 -10.809 17.268 -35.876 1.00 10.28 C ATOM 888 H LEU A 709 -7.263 16.020 -38.993 1.00 0.00 H ATOM 889 N ASN A 710 -5.965 18.756 -37.561 1.00 7.80 N ATOM 890 CA ASN A 710 -5.053 19.783 -37.025 1.00 7.54 C ATOM 891 C ASN A 710 -4.780 20.824 -38.111 1.00 13.84 C ATOM 892 O ASN A 710 -4.989 22.006 -37.865 1.00 15.06 O ATOM 893 CB ASN A 710 -3.732 19.195 -36.511 1.00 8.32 C ATOM 894 CG ASN A 710 -2.663 20.236 -36.367 1.00 24.01 C ATOM 895 OD1 ASN A 710 -2.675 21.021 -35.430 1.00 18.85 O ATOM 896 ND2 ASN A 710 -1.803 20.363 -37.373 1.00 23.81 N ATOM 897 HD22 ASN A 710 -1.816 19.680 -38.157 1.00 0.00 H ATOM 898 HD21 ASN A 710 -1.118 21.145 -37.376 1.00 0.00 H ATOM 899 H ASN A 710 -5.635 17.772 -37.627 1.00 0.00 H ATOM 900 N GLN A 711 -4.336 20.383 -39.307 1.00 11.05 N ATOM 901 CA GLN A 711 -4.077 21.230 -40.483 1.00 11.45 C ATOM 902 C GLN A 711 -5.364 21.970 -40.880 1.00 16.81 C ATOM 903 O GLN A 711 -5.296 23.131 -41.261 1.00 18.07 O ATOM 904 CB GLN A 711 -3.651 20.367 -41.689 1.00 12.30 C ATOM 905 CG GLN A 711 -2.230 19.817 -41.667 1.00 12.41 C ATOM 906 CD GLN A 711 -2.065 18.678 -42.667 1.00 31.27 C ATOM 907 OE1 GLN A 711 -3.031 18.036 -43.125 1.00 29.98 O ATOM 908 NE2 GLN A 711 -0.831 18.382 -43.022 1.00 18.40 N ATOM 909 HE22 GLN A 711 -0.034 18.925 -42.633 1.00 0.00 H ATOM 910 HE21 GLN A 711 -0.654 17.606 -43.691 1.00 0.00 H ATOM 911 H GLN A 711 -4.163 19.362 -39.406 1.00 0.00 H ATOM 912 N PHE A 712 -6.527 21.287 -40.807 1.00 12.18 N ATOM 913 CA PHE A 712 -7.835 21.851 -41.163 1.00 10.75 C ATOM 914 C PHE A 712 -8.265 22.998 -40.255 1.00 14.86 C ATOM 915 O PHE A 712 -8.598 24.066 -40.764 1.00 14.38 O ATOM 916 CB PHE A 712 -8.929 20.770 -41.222 1.00 11.39 C ATOM 917 CG PHE A 712 -10.258 21.298 -41.705 1.00 12.30 C ATOM 918 CD1 PHE A 712 -10.511 21.459 -43.065 1.00 15.27 C ATOM 919 CD2 PHE A 712 -11.262 21.627 -40.805 1.00 12.90 C ATOM 920 CE1 PHE A 712 -11.747 21.942 -43.513 1.00 15.05 C ATOM 921 CE2 PHE A 712 -12.490 22.127 -41.256 1.00 15.92 C ATOM 922 CZ PHE A 712 -12.727 22.268 -42.610 1.00 13.25 C ATOM 923 H PHE A 712 -6.494 20.301 -40.478 1.00 0.00 H ATOM 924 N LEU A 713 -8.315 22.762 -38.926 1.00 11.40 N ATOM 925 CA LEU A 713 -8.744 23.758 -37.933 1.00 9.98 C ATOM 926 C LEU A 713 -7.753 24.888 -37.784 1.00 13.16 C ATOM 927 O LEU A 713 -8.173 26.015 -37.548 1.00 13.41 O ATOM 928 CB LEU A 713 -9.012 23.119 -36.575 1.00 9.51 C ATOM 929 CG LEU A 713 -10.220 22.198 -36.478 1.00 14.04 C ATOM 930 CD1 LEU A 713 -10.234 21.473 -35.136 1.00 13.00 C ATOM 931 CD2 LEU A 713 -11.512 22.955 -36.682 1.00 15.58 C ATOM 932 H LEU A 713 -8.034 21.821 -38.585 1.00 0.00 H ATOM 933 N SER A 714 -6.444 24.601 -37.943 1.00 9.10 N ATOM 934 CA SER A 714 -5.379 25.612 -37.899 1.00 9.20 C ATOM 935 C SER A 714 -5.569 26.660 -39.004 1.00 13.59 C ATOM 936 O SER A 714 -5.078 27.763 -38.866 1.00 13.51 O ATOM 937 CB SER A 714 -4.016 24.960 -38.101 1.00 11.07 C ATOM 938 OG SER A 714 -3.661 24.167 -36.989 1.00 22.17 O ATOM 939 HG SER A 714 -4.337 23.455 -36.864 1.00 0.00 H ATOM 940 H SER A 714 -6.174 23.610 -38.106 1.00 0.00 H ATOM 941 N ALA A 715 -6.226 26.291 -40.116 1.00 10.30 N ATOM 942 CA ALA A 715 -6.434 27.173 -41.270 1.00 10.26 C ATOM 943 C ALA A 715 -7.706 28.014 -41.138 1.00 15.60 C ATOM 944 O ALA A 715 -7.970 28.860 -41.994 1.00 15.29 O ATOM 945 CB ALA A 715 -6.482 26.329 -42.557 1.00 10.49 C ATOM 946 H ALA A 715 -6.609 25.325 -40.162 1.00 0.00 H ATOM 947 N HIS A 716 -8.500 27.767 -40.085 1.00 12.61 N ATOM 948 CA HIS A 716 -9.770 28.448 -39.849 1.00 12.80 C ATOM 949 C HIS A 716 -9.728 29.335 -38.614 1.00 16.64 C ATOM 950 O HIS A 716 -8.925 29.112 -37.724 1.00 16.20 O ATOM 951 CB HIS A 716 -10.904 27.411 -39.650 1.00 14.29 C ATOM 952 CG HIS A 716 -11.324 26.711 -40.898 1.00 18.63 C ATOM 953 ND1 HIS A 716 -10.476 25.841 -41.560 1.00 20.54 N ATOM 954 CD2 HIS A 716 -12.492 26.782 -41.579 1.00 20.57 C ATOM 955 CE1 HIS A 716 -11.152 25.407 -42.608 1.00 19.72 C ATOM 956 NE2 HIS A 716 -12.373 25.932 -42.654 1.00 20.10 N ATOM 957 H HIS A 716 -8.193 27.049 -39.397 1.00 0.00 H ATOM 958 N GLN A 717 -10.630 30.318 -38.565 1.00 13.12 N ATOM 959 CA GLN A 717 -10.878 31.191 -37.440 1.00 14.06 C ATOM 960 C GLN A 717 -12.285 30.791 -36.969 1.00 18.21 C ATOM 961 O GLN A 717 -13.059 30.210 -37.746 1.00 15.79 O ATOM 962 CB GLN A 717 -10.885 32.678 -37.867 1.00 15.94 C ATOM 963 CG GLN A 717 -9.551 33.212 -38.418 1.00 32.46 C ATOM 964 CD GLN A 717 -8.715 33.970 -37.405 1.00 54.99 C ATOM 965 OE1 GLN A 717 -7.920 34.846 -37.766 1.00 44.41 O ATOM 966 NE2 GLN A 717 -8.864 33.661 -36.116 1.00 55.72 N ATOM 967 HE22 GLN A 717 -9.538 32.921 -35.833 1.00 0.00 H ATOM 968 HE21 GLN A 717 -8.306 34.160 -35.394 1.00 0.00 H ATOM 969 H GLN A 717 -11.208 30.470 -39.416 1.00 0.00 H ATOM 970 N LEU A 718 -12.613 31.092 -35.704 1.00 15.37 N ATOM 971 CA LEU A 718 -13.928 30.786 -35.168 1.00 15.77 C ATOM 972 C LEU A 718 -14.907 31.830 -35.643 1.00 23.56 C ATOM 973 O LEU A 718 -14.593 33.023 -35.671 1.00 22.75 O ATOM 974 CB LEU A 718 -13.916 30.715 -33.623 1.00 15.55 C ATOM 975 CG LEU A 718 -15.247 30.382 -32.926 1.00 20.18 C ATOM 976 CD1 LEU A 718 -15.641 28.919 -33.094 1.00 19.72 C ATOM 977 CD2 LEU A 718 -15.196 30.716 -31.467 1.00 21.66 C ATOM 978 H LEU A 718 -11.910 31.555 -35.093 1.00 0.00 H ATOM 979 N GLU A 719 -16.103 31.374 -36.028 1.00 22.94 N ATOM 980 CA GLU A 719 -17.171 32.265 -36.407 1.00 23.13 C ATOM 981 C GLU A 719 -17.682 32.808 -35.072 1.00 29.07 C ATOM 982 O GLU A 719 -18.151 32.036 -34.228 1.00 29.47 O ATOM 983 CB GLU A 719 -18.266 31.514 -37.168 1.00 24.24 C ATOM 984 CG GLU A 719 -19.412 32.415 -37.578 1.00 34.66 C ATOM 985 CD GLU A 719 -20.709 31.700 -37.889 1.00 52.50 C ATOM 986 OE1 GLU A 719 -20.722 30.871 -38.829 1.00 47.24 O ATOM 987 OE2 GLU A 719 -21.726 32.008 -37.225 1.00 38.65 O ATOM 988 H GLU A 719 -16.268 30.347 -36.055 1.00 0.00 H ATOM 989 N ASP A 720 -17.474 34.110 -34.849 1.00 26.41 N ATOM 990 CA ASP A 720 -17.873 34.824 -33.636 1.00 26.74 C ATOM 991 C ASP A 720 -18.387 36.221 -34.052 1.00 29.28 C ATOM 992 O ASP A 720 -17.605 37.158 -34.235 1.00 27.39 O ATOM 993 CB ASP A 720 -16.685 34.893 -32.653 1.00 29.04 C ATOM 994 CG ASP A 720 -16.970 35.412 -31.256 1.00 40.86 C ATOM 995 OD1 ASP A 720 -18.157 35.564 -30.907 1.00 42.14 O ATOM 996 OD2 ASP A 720 -15.998 35.652 -30.503 1.00 46.00 O ATOM 997 H ASP A 720 -16.993 34.655 -35.593 1.00 0.00 H ATOM 998 N LYS A 721 -19.718 36.312 -34.241 1.00 26.38 N ATOM 999 CA LYS A 721 -20.484 37.497 -34.655 1.00 27.01 C ATOM 1000 C LYS A 721 -20.242 38.732 -33.791 1.00 32.64 C ATOM 1001 O LYS A 721 -20.338 39.840 -34.296 1.00 34.51 O ATOM 1002 CB LYS A 721 -21.985 37.167 -34.742 1.00 29.61 C ATOM 1003 CG LYS A 721 -22.517 37.187 -36.164 1.00 40.55 C ATOM 1004 CD LYS A 721 -23.475 36.034 -36.434 1.00 51.67 C ATOM 1005 CE LYS A 721 -24.101 36.114 -37.805 1.00 58.10 C ATOM 1006 NZ LYS A 721 -25.271 37.037 -37.825 1.00 70.24 N ATOM 1007 HZ1 LYS A 721 -25.991 36.697 -37.156 1.00 0.00 H ATOM 1008 HZ2 LYS A 721 -24.963 37.991 -37.549 1.00 0.00 H ATOM 1009 HZ3 LYS A 721 -25.673 37.064 -38.784 1.00 0.00 H ATOM 1010 H LYS A 721 -20.267 35.444 -34.075 1.00 0.00 H ATOM 1011 N ALA A 722 -19.875 38.549 -32.522 1.00 29.59 N ATOM 1012 CA ALA A 722 -19.513 39.631 -31.609 1.00 29.39 C ATOM 1013 C ALA A 722 -18.123 40.264 -31.959 1.00 33.33 C ATOM 1014 O ALA A 722 -17.711 41.225 -31.302 1.00 32.13 O ATOM 1015 CB ALA A 722 -19.515 39.114 -30.172 1.00 29.85 C ATOM 1016 H ALA A 722 -19.845 37.575 -32.159 1.00 0.00 H ATOM 1017 N ALA A 723 -17.424 39.748 -33.000 1.00 29.80 N ATOM 1018 CA ALA A 723 -16.104 40.243 -33.401 1.00 46.76 C ATOM 1019 C ALA A 723 -16.023 40.647 -34.879 1.00 92.65 C ATOM 1020 O ALA A 723 -16.137 39.814 -35.781 1.00 61.30 O ATOM 1021 CB ALA A 723 -15.031 39.216 -33.059 1.00 47.27 C ATOM 1022 H ALA A 723 -17.844 38.964 -33.539 1.00 0.00 H TER 1023 ALA A 723 ATOM 1024 N GLY A 735 -9.450 34.376 -45.147 1.00 28.53 N ATOM 1025 CA GLY A 735 -9.314 33.349 -44.114 1.00 27.69 C ATOM 1026 C GLY A 735 -10.688 32.753 -43.786 1.00 28.80 C ATOM 1027 O GLY A 735 -11.599 33.493 -43.390 1.00 29.28 O ATOM 1028 HN3 GLY A 735 -10.078 35.130 -44.804 1.00 0.00 H ATOM 1029 HN2 GLY A 735 -9.854 33.951 -46.006 1.00 0.00 H ATOM 1030 HN1 GLY A 735 -8.514 34.775 -45.363 1.00 0.00 H ATOM 1031 N PRO A 736 -10.875 31.431 -44.011 1.00 21.37 N ATOM 1032 CA PRO A 736 -12.193 30.823 -43.770 1.00 20.17 C ATOM 1033 C PRO A 736 -12.589 30.736 -42.296 1.00 23.70 C ATOM 1034 O PRO A 736 -11.726 30.678 -41.424 1.00 23.51 O ATOM 1035 CB PRO A 736 -12.046 29.441 -44.395 1.00 21.68 C ATOM 1036 CG PRO A 736 -10.594 29.125 -44.264 1.00 25.36 C ATOM 1037 CD PRO A 736 -9.907 30.433 -44.509 1.00 21.58 C ATOM 1038 N THR A 737 -13.903 30.705 -42.024 1.00 19.65 N ATOM 1039 CA THR A 737 -14.427 30.602 -40.657 1.00 18.37 C ATOM 1040 C THR A 737 -15.134 29.261 -40.401 1.00 19.06 C ATOM 1041 O THR A 737 -15.635 28.639 -41.334 1.00 18.00 O ATOM 1042 CB THR A 737 -15.360 31.785 -40.334 1.00 20.67 C ATOM 1043 OG1 THR A 737 -16.522 31.711 -41.159 1.00 20.48 O ATOM 1044 CG2 THR A 737 -14.685 33.121 -40.501 1.00 15.24 C ATOM 1045 HG1 THR A 737 -16.995 30.859 -40.985 1.00 0.00 H ATOM 1046 H THR A 737 -14.577 30.756 -42.814 1.00 0.00 H ATOM 1047 N ILE A 738 -15.192 28.849 -39.129 1.00 15.00 N ATOM 1048 CA ILE A 738 -15.852 27.634 -38.651 1.00 14.82 C ATOM 1049 C ILE A 738 -16.699 28.004 -37.416 1.00 17.53 C ATOM 1050 O ILE A 738 -16.192 28.674 -36.509 1.00 14.38 O ATOM 1051 CB ILE A 738 -14.871 26.439 -38.427 1.00 18.06 C ATOM 1052 CG1 ILE A 738 -15.633 25.095 -38.267 1.00 18.84 C ATOM 1053 CG2 ILE A 738 -13.862 26.678 -37.272 1.00 16.96 C ATOM 1054 CD1 ILE A 738 -14.819 23.832 -38.743 1.00 19.09 C ATOM 1055 H ILE A 738 -14.726 29.446 -38.416 1.00 0.00 H ATOM 1056 N SER A 739 -17.997 27.621 -37.418 1.00 13.77 N ATOM 1057 CA SER A 739 -18.912 27.943 -36.315 1.00 12.90 C ATOM 1058 C SER A 739 -18.758 26.993 -35.152 1.00 19.98 C ATOM 1059 O SER A 739 -18.264 25.882 -35.337 1.00 21.46 O ATOM 1060 CB SER A 739 -20.357 27.931 -36.793 1.00 13.61 C ATOM 1061 OG SER A 739 -20.828 26.611 -37.009 1.00 21.11 O ATOM 1062 HG SER A 739 -21.768 26.644 -37.318 1.00 0.00 H ATOM 1063 H SER A 739 -18.359 27.080 -38.229 1.00 0.00 H ATOM 1064 N TYR A 740 -19.196 27.425 -33.951 1.00 17.12 N ATOM 1065 CA TYR A 740 -19.207 26.607 -32.734 1.00 16.77 C ATOM 1066 C TYR A 740 -20.040 25.302 -32.928 1.00 19.22 C ATOM 1067 O TYR A 740 -19.472 24.239 -32.667 1.00 18.24 O ATOM 1068 CB TYR A 740 -19.662 27.436 -31.513 1.00 17.80 C ATOM 1069 CG TYR A 740 -19.711 26.659 -30.223 1.00 18.60 C ATOM 1070 CD1 TYR A 740 -18.543 26.210 -29.612 1.00 20.45 C ATOM 1071 CD2 TYR A 740 -20.922 26.380 -29.603 1.00 19.57 C ATOM 1072 CE1 TYR A 740 -18.583 25.466 -28.435 1.00 18.88 C ATOM 1073 CE2 TYR A 740 -20.972 25.673 -28.403 1.00 20.99 C ATOM 1074 CZ TYR A 740 -19.799 25.199 -27.837 1.00 27.02 C ATOM 1075 OH TYR A 740 -19.837 24.499 -26.664 1.00 32.62 O ATOM 1076 HH TYR A 740 -18.917 24.239 -26.406 1.00 0.00 H ATOM 1077 H TYR A 740 -19.549 28.401 -33.884 1.00 0.00 H ATOM 1078 N PRO A 741 -21.306 25.320 -33.461 1.00 15.32 N ATOM 1079 CA PRO A 741 -22.015 24.053 -33.727 1.00 14.74 C ATOM 1080 C PRO A 741 -21.246 23.089 -34.639 1.00 19.84 C ATOM 1081 O PRO A 741 -21.407 21.880 -34.506 1.00 20.30 O ATOM 1082 CB PRO A 741 -23.301 24.503 -34.443 1.00 16.26 C ATOM 1083 CG PRO A 741 -23.521 25.878 -34.023 1.00 21.22 C ATOM 1084 CD PRO A 741 -22.146 26.474 -33.853 1.00 17.28 C ATOM 1085 N MET A 742 -20.430 23.617 -35.568 1.00 16.98 N ATOM 1086 CA MET A 742 -19.643 22.806 -36.500 1.00 16.88 C ATOM 1087 C MET A 742 -18.451 22.129 -35.817 1.00 18.97 C ATOM 1088 O MET A 742 -18.072 21.025 -36.197 1.00 19.42 O ATOM 1089 CB MET A 742 -19.222 23.614 -37.731 1.00 19.70 C ATOM 1090 CG MET A 742 -18.664 22.750 -38.864 1.00 24.79 C ATOM 1091 SD MET A 742 -19.714 21.350 -39.372 1.00 30.13 S ATOM 1092 CE MET A 742 -21.040 22.216 -40.251 1.00 26.38 C ATOM 1093 H MET A 742 -20.354 24.652 -35.628 1.00 0.00 H ATOM 1094 N LEU A 743 -17.882 22.777 -34.805 1.00 12.69 N ATOM 1095 CA LEU A 743 -16.815 22.200 -34.005 1.00 11.49 C ATOM 1096 C LEU A 743 -17.399 21.038 -33.184 1.00 13.37 C ATOM 1097 O LEU A 743 -16.739 20.009 -33.046 1.00 11.41 O ATOM 1098 CB LEU A 743 -16.193 23.258 -33.059 1.00 10.65 C ATOM 1099 CG LEU A 743 -15.427 24.411 -33.696 1.00 13.84 C ATOM 1100 CD1 LEU A 743 -14.810 25.290 -32.624 1.00 13.92 C ATOM 1101 CD2 LEU A 743 -14.333 23.904 -34.646 1.00 14.30 C ATOM 1102 H LEU A 743 -18.214 23.736 -34.577 1.00 0.00 H ATOM 1103 N LEU A 744 -18.657 21.181 -32.703 1.00 10.40 N ATOM 1104 CA LEU A 744 -19.338 20.119 -31.949 1.00 10.47 C ATOM 1105 C LEU A 744 -19.706 18.918 -32.815 1.00 13.91 C ATOM 1106 O LEU A 744 -19.612 17.781 -32.342 1.00 13.68 O ATOM 1107 CB LEU A 744 -20.563 20.636 -31.162 1.00 10.38 C ATOM 1108 CG LEU A 744 -20.281 21.675 -30.063 1.00 14.25 C ATOM 1109 CD1 LEU A 744 -21.539 22.334 -29.636 1.00 13.69 C ATOM 1110 CD2 LEU A 744 -19.612 21.049 -28.857 1.00 15.32 C ATOM 1111 H LEU A 744 -19.160 22.075 -32.873 1.00 0.00 H ATOM 1112 N HIS A 745 -20.121 19.165 -34.073 1.00 11.15 N ATOM 1113 CA HIS A 745 -20.483 18.122 -35.041 1.00 11.28 C ATOM 1114 C HIS A 745 -19.218 17.290 -35.351 1.00 16.58 C ATOM 1115 O HIS A 745 -19.260 16.068 -35.345 1.00 16.64 O ATOM 1116 CB HIS A 745 -21.064 18.756 -36.321 1.00 11.75 C ATOM 1117 CG HIS A 745 -21.319 17.774 -37.426 1.00 15.23 C ATOM 1118 ND1 HIS A 745 -22.180 16.702 -37.258 1.00 16.84 N ATOM 1119 CD2 HIS A 745 -20.821 17.740 -38.686 1.00 17.52 C ATOM 1120 CE1 HIS A 745 -22.156 16.038 -38.400 1.00 16.78 C ATOM 1121 NE2 HIS A 745 -21.344 16.617 -39.289 1.00 17.35 N ATOM 1122 H HIS A 745 -20.189 20.157 -34.378 1.00 0.00 H ATOM 1123 N VAL A 746 -18.088 17.969 -35.554 1.00 13.83 N ATOM 1124 CA VAL A 746 -16.766 17.359 -35.790 1.00 11.93 C ATOM 1125 C VAL A 746 -16.391 16.440 -34.621 1.00 15.24 C ATOM 1126 O VAL A 746 -15.974 15.301 -34.842 1.00 15.67 O ATOM 1127 CB VAL A 746 -15.711 18.491 -36.014 1.00 13.33 C ATOM 1128 CG1 VAL A 746 -14.289 18.006 -35.760 1.00 11.90 C ATOM 1129 CG2 VAL A 746 -15.841 19.097 -37.412 1.00 12.61 C ATOM 1130 H VAL A 746 -18.143 19.007 -35.545 1.00 0.00 H ATOM 1131 N ALA A 747 -16.543 16.936 -33.375 1.00 11.77 N ATOM 1132 CA ALA A 747 -16.177 16.177 -32.177 1.00 11.06 C ATOM 1133 C ALA A 747 -17.099 14.994 -31.963 1.00 14.35 C ATOM 1134 O ALA A 747 -16.612 13.894 -31.655 1.00 15.50 O ATOM 1135 CB ALA A 747 -16.153 17.083 -30.962 1.00 12.09 C ATOM 1136 H ALA A 747 -16.935 17.893 -33.261 1.00 0.00 H ATOM 1137 N ALA A 748 -18.413 15.183 -32.213 1.00 8.66 N ATOM 1138 CA ALA A 748 -19.412 14.122 -32.092 1.00 7.59 C ATOM 1139 C ALA A 748 -19.131 13.000 -33.104 1.00 13.26 C ATOM 1140 O ALA A 748 -19.230 11.840 -32.733 1.00 14.75 O ATOM 1141 CB ALA A 748 -20.810 14.691 -32.260 1.00 8.04 C ATOM 1142 H ALA A 748 -18.730 16.129 -32.506 1.00 0.00 H ATOM 1143 N GLN A 749 -18.704 13.329 -34.347 1.00 10.06 N ATOM 1144 CA GLN A 749 -18.298 12.332 -35.365 1.00 9.25 C ATOM 1145 C GLN A 749 -17.073 11.544 -34.859 1.00 13.14 C ATOM 1146 O GLN A 749 -17.037 10.340 -35.005 1.00 13.34 O ATOM 1147 CB GLN A 749 -17.954 13.024 -36.691 1.00 10.01 C ATOM 1148 CG GLN A 749 -19.162 13.432 -37.517 1.00 3.88 C ATOM 1149 CD GLN A 749 -18.709 14.062 -38.796 1.00 22.84 C ATOM 1150 OE1 GLN A 749 -18.590 13.399 -39.829 1.00 23.38 O ATOM 1151 NE2 GLN A 749 -18.372 15.340 -38.738 1.00 8.74 N ATOM 1152 HE22 GLN A 749 -18.486 15.868 -37.849 1.00 0.00 H ATOM 1153 HE21 GLN A 749 -17.993 15.817 -39.581 1.00 0.00 H ATOM 1154 H GLN A 749 -18.659 14.337 -34.600 1.00 0.00 H ATOM 1155 N ILE A 750 -16.095 12.213 -34.212 1.00 10.93 N ATOM 1156 CA ILE A 750 -14.945 11.508 -33.610 1.00 9.38 C ATOM 1157 C ILE A 750 -15.475 10.561 -32.504 1.00 12.77 C ATOM 1158 O ILE A 750 -15.062 9.407 -32.440 1.00 15.97 O ATOM 1159 CB ILE A 750 -13.835 12.492 -33.083 1.00 11.43 C ATOM 1160 CG1 ILE A 750 -13.265 13.344 -34.244 1.00 11.12 C ATOM 1161 CG2 ILE A 750 -12.683 11.705 -32.394 1.00 10.37 C ATOM 1162 CD1 ILE A 750 -12.542 14.709 -33.860 1.00 12.49 C ATOM 1163 H ILE A 750 -16.153 13.249 -34.136 1.00 0.00 H ATOM 1164 N ALA A 751 -16.430 11.028 -31.685 1.00 7.44 N ATOM 1165 CA ALA A 751 -17.023 10.241 -30.613 1.00 7.53 C ATOM 1166 C ALA A 751 -17.708 9.007 -31.201 1.00 14.64 C ATOM 1167 O ALA A 751 -17.402 7.896 -30.787 1.00 14.20 O ATOM 1168 CB ALA A 751 -18.014 11.079 -29.825 1.00 7.98 C ATOM 1169 H ALA A 751 -16.764 12.003 -31.823 1.00 0.00 H ATOM 1170 N SER A 752 -18.521 9.201 -32.257 1.00 12.34 N ATOM 1171 CA SER A 752 -19.212 8.123 -32.949 1.00 11.11 C ATOM 1172 C SER A 752 -18.256 7.042 -33.447 1.00 13.36 C ATOM 1173 O SER A 752 -18.493 5.863 -33.178 1.00 12.71 O ATOM 1174 CB SER A 752 -20.083 8.667 -34.076 1.00 10.68 C ATOM 1175 OG SER A 752 -21.008 7.652 -34.428 1.00 11.76 O ATOM 1176 HG SER A 752 -20.515 6.848 -34.729 1.00 0.00 H ATOM 1177 H SER A 752 -18.663 10.174 -32.596 1.00 0.00 H ATOM 1178 N GLY A 753 -17.171 7.458 -34.114 1.00 9.55 N ATOM 1179 CA GLY A 753 -16.132 6.559 -34.616 1.00 7.89 C ATOM 1180 C GLY A 753 -15.524 5.742 -33.496 1.00 11.14 C ATOM 1181 O GLY A 753 -15.485 4.513 -33.583 1.00 10.34 O ATOM 1182 H GLY A 753 -17.061 8.478 -34.285 1.00 0.00 H ATOM 1183 N MET A 754 -15.143 6.417 -32.380 1.00 8.19 N ATOM 1184 CA MET A 754 -14.570 5.766 -31.184 1.00 7.39 C ATOM 1185 C MET A 754 -15.524 4.766 -30.506 1.00 8.15 C ATOM 1186 O MET A 754 -15.078 3.702 -30.069 1.00 4.66 O ATOM 1187 CB MET A 754 -14.091 6.800 -30.180 1.00 10.43 C ATOM 1188 CG MET A 754 -12.918 7.656 -30.653 1.00 14.15 C ATOM 1189 SD MET A 754 -11.510 6.723 -31.294 1.00 18.49 S ATOM 1190 CE MET A 754 -10.968 5.884 -29.863 1.00 15.21 C ATOM 1191 H MET A 754 -15.261 7.450 -32.367 1.00 0.00 H ATOM 1192 N ARG A 755 -16.827 5.081 -30.467 1.00 5.28 N ATOM 1193 CA ARG A 755 -17.872 4.187 -29.923 1.00 7.11 C ATOM 1194 C ARG A 755 -17.856 2.894 -30.702 1.00 13.56 C ATOM 1195 O ARG A 755 -17.994 1.824 -30.109 1.00 14.18 O ATOM 1196 CB ARG A 755 -19.264 4.858 -29.982 1.00 8.29 C ATOM 1197 CG ARG A 755 -20.397 4.005 -29.434 1.00 24.46 C ATOM 1198 CD ARG A 755 -21.602 4.076 -30.366 1.00 47.99 C ATOM 1199 NE ARG A 755 -22.446 5.257 -30.132 1.00 53.38 N ATOM 1200 CZ ARG A 755 -23.036 5.975 -31.088 1.00 57.73 C ATOM 1201 NH1 ARG A 755 -23.803 7.008 -30.770 1.00 42.91 N ATOM 1202 NH2 ARG A 755 -22.862 5.663 -32.368 1.00 37.56 N ATOM 1203 HE ARG A 755 -22.594 5.555 -29.147 1.00 0.00 H ATOM 1204 HH12 ARG A 755 -24.261 7.565 -31.519 1.00 0.00 H ATOM 1205 HH11 ARG A 755 -23.947 7.261 -29.772 1.00 0.00 H ATOM 1206 HH22 ARG A 755 -23.325 6.227 -33.108 1.00 0.00 H ATOM 1207 HH21 ARG A 755 -22.263 4.854 -32.629 1.00 0.00 H ATOM 1208 H ARG A 755 -17.119 6.007 -30.841 1.00 0.00 H ATOM 1209 N TYR A 756 -17.652 2.991 -32.037 1.00 11.26 N ATOM 1210 CA TYR A 756 -17.524 1.834 -32.898 1.00 10.80 C ATOM 1211 C TYR A 756 -16.276 1.027 -32.513 1.00 13.90 C ATOM 1212 O TYR A 756 -16.382 -0.201 -32.390 1.00 13.67 O ATOM 1213 CB TYR A 756 -17.466 2.247 -34.384 1.00 12.32 C ATOM 1214 CG TYR A 756 -17.168 1.087 -35.309 1.00 13.24 C ATOM 1215 CD1 TYR A 756 -18.157 0.161 -35.642 1.00 14.35 C ATOM 1216 CD2 TYR A 756 -15.887 0.886 -35.821 1.00 13.92 C ATOM 1217 CE1 TYR A 756 -17.884 -0.925 -36.475 1.00 11.45 C ATOM 1218 CE2 TYR A 756 -15.607 -0.194 -36.662 1.00 14.89 C ATOM 1219 CZ TYR A 756 -16.607 -1.107 -36.968 1.00 17.71 C ATOM 1220 OH TYR A 756 -16.338 -2.194 -37.767 1.00 19.98 O ATOM 1221 HH TYR A 756 -17.161 -2.732 -37.878 1.00 0.00 H ATOM 1222 H TYR A 756 -17.584 3.938 -32.462 1.00 0.00 H ATOM 1223 N LEU A 757 -15.093 1.704 -32.342 1.00 9.39 N ATOM 1224 CA LEU A 757 -13.831 1.007 -31.997 1.00 8.54 C ATOM 1225 C LEU A 757 -13.937 0.299 -30.619 1.00 17.11 C ATOM 1226 O LEU A 757 -13.517 -0.860 -30.469 1.00 17.49 O ATOM 1227 CB LEU A 757 -12.600 1.950 -32.070 1.00 6.76 C ATOM 1228 CG LEU A 757 -12.220 2.548 -33.475 1.00 9.99 C ATOM 1229 CD1 LEU A 757 -10.933 3.415 -33.409 1.00 8.13 C ATOM 1230 CD2 LEU A 757 -12.003 1.459 -34.536 1.00 10.03 C ATOM 1231 H LEU A 757 -15.082 2.737 -32.458 1.00 0.00 H ATOM 1232 N ALA A 758 -14.535 1.006 -29.637 1.00 14.14 N ATOM 1233 CA ALA A 758 -14.785 0.560 -28.267 1.00 14.37 C ATOM 1234 C ALA A 758 -15.741 -0.655 -28.239 1.00 19.38 C ATOM 1235 O ALA A 758 -15.478 -1.598 -27.514 1.00 18.63 O ATOM 1236 CB ALA A 758 -15.384 1.702 -27.476 1.00 15.39 C ATOM 1237 H ALA A 758 -14.850 1.967 -29.880 1.00 0.00 H ATOM 1238 N THR A 759 -16.820 -0.648 -29.046 1.00 17.49 N ATOM 1239 CA THR A 759 -17.757 -1.774 -29.103 1.00 17.58 C ATOM 1240 C THR A 759 -17.086 -3.010 -29.744 1.00 22.81 C ATOM 1241 O THR A 759 -17.551 -4.107 -29.502 1.00 22.93 O ATOM 1242 CB THR A 759 -19.112 -1.395 -29.740 1.00 27.19 C ATOM 1243 OG1 THR A 759 -18.893 -0.668 -30.941 1.00 37.73 O ATOM 1244 CG2 THR A 759 -19.991 -0.558 -28.821 1.00 18.77 C ATOM 1245 HG1 THR A 759 -18.384 0.157 -30.738 1.00 0.00 H ATOM 1246 H THR A 759 -16.994 0.182 -29.647 1.00 0.00 H ATOM 1247 N LEU A 760 -15.963 -2.839 -30.490 1.00 19.67 N ATOM 1248 CA LEU A 760 -15.189 -3.920 -31.115 1.00 18.87 C ATOM 1249 C LEU A 760 -14.007 -4.347 -30.231 1.00 24.53 C ATOM 1250 O LEU A 760 -13.250 -5.248 -30.615 1.00 26.63 O ATOM 1251 CB LEU A 760 -14.628 -3.472 -32.496 1.00 18.41 C ATOM 1252 CG LEU A 760 -15.568 -3.375 -33.729 1.00 22.41 C ATOM 1253 CD1 LEU A 760 -14.755 -3.459 -35.010 1.00 23.57 C ATOM 1254 CD2 LEU A 760 -16.627 -4.475 -33.764 1.00 20.67 C ATOM 1255 H LEU A 760 -15.625 -1.866 -30.630 1.00 0.00 H ATOM 1256 N ASN A 761 -13.826 -3.678 -29.073 1.00 20.29 N ATOM 1257 CA ASN A 761 -12.711 -3.868 -28.144 1.00 20.28 C ATOM 1258 C ASN A 761 -11.369 -3.481 -28.794 1.00 21.54 C ATOM 1259 O ASN A 761 -10.333 -4.068 -28.471 1.00 23.23 O ATOM 1260 CB ASN A 761 -12.665 -5.300 -27.573 1.00 25.98 C ATOM 1261 CG ASN A 761 -13.158 -5.447 -26.156 1.00 69.99 C ATOM 1262 OD1 ASN A 761 -13.805 -4.560 -25.584 1.00 69.15 O ATOM 1263 ND2 ASN A 761 -12.937 -6.624 -25.587 1.00 68.27 N ATOM 1264 HD22 ASN A 761 -12.390 -7.351 -26.091 1.00 0.00 H ATOM 1265 HD21 ASN A 761 -13.311 -6.820 -24.637 1.00 0.00 H ATOM 1266 H ASN A 761 -14.540 -2.966 -28.819 1.00 0.00 H ATOM 1267 N PHE A 762 -11.390 -2.497 -29.700 1.00 15.02 N ATOM 1268 CA PHE A 762 -10.191 -2.034 -30.398 1.00 14.57 C ATOM 1269 C PHE A 762 -9.716 -0.736 -29.746 1.00 16.52 C ATOM 1270 O PHE A 762 -10.463 0.240 -29.708 1.00 16.15 O ATOM 1271 CB PHE A 762 -10.460 -1.865 -31.917 1.00 16.60 C ATOM 1272 CG PHE A 762 -9.255 -1.419 -32.712 1.00 19.07 C ATOM 1273 CD1 PHE A 762 -8.356 -2.346 -33.225 1.00 22.48 C ATOM 1274 CD2 PHE A 762 -9.015 -0.066 -32.944 1.00 21.71 C ATOM 1275 CE1 PHE A 762 -7.222 -1.927 -33.923 1.00 23.96 C ATOM 1276 CE2 PHE A 762 -7.885 0.349 -33.649 1.00 24.65 C ATOM 1277 CZ PHE A 762 -6.994 -0.582 -34.131 1.00 22.94 C ATOM 1278 H PHE A 762 -12.299 -2.041 -29.918 1.00 0.00 H ATOM 1279 N VAL A 763 -8.498 -0.746 -29.189 1.00 11.19 N ATOM 1280 CA VAL A 763 -7.932 0.421 -28.527 1.00 10.60 C ATOM 1281 C VAL A 763 -7.049 1.135 -29.530 1.00 15.25 C ATOM 1282 O VAL A 763 -6.014 0.595 -29.923 1.00 14.29 O ATOM 1283 CB VAL A 763 -7.155 0.067 -27.220 1.00 12.57 C ATOM 1284 CG1 VAL A 763 -6.511 1.321 -26.608 1.00 10.76 C ATOM 1285 CG2 VAL A 763 -8.060 -0.636 -26.215 1.00 11.66 C ATOM 1286 H VAL A 763 -7.936 -1.620 -29.231 1.00 0.00 H ATOM 1287 N HIS A 764 -7.464 2.357 -29.925 1.00 12.22 N ATOM 1288 CA HIS A 764 -6.792 3.213 -30.904 1.00 10.72 C ATOM 1289 C HIS A 764 -5.341 3.451 -30.505 1.00 14.86 C ATOM 1290 O HIS A 764 -4.448 3.210 -31.307 1.00 13.93 O ATOM 1291 CB HIS A 764 -7.541 4.544 -31.040 1.00 10.69 C ATOM 1292 CG HIS A 764 -7.083 5.340 -32.219 1.00 14.17 C ATOM 1293 ND1 HIS A 764 -5.874 6.020 -32.207 1.00 16.01 N ATOM 1294 CD2 HIS A 764 -7.655 5.487 -33.436 1.00 14.82 C ATOM 1295 CE1 HIS A 764 -5.755 6.559 -33.408 1.00 14.72 C ATOM 1296 NE2 HIS A 764 -6.791 6.251 -34.186 1.00 14.89 N ATOM 1297 H HIS A 764 -8.338 2.723 -29.496 1.00 0.00 H ATOM 1298 N ARG A 765 -5.122 3.897 -29.245 1.00 12.70 N ATOM 1299 CA ARG A 765 -3.837 4.180 -28.592 1.00 13.36 C ATOM 1300 C ARG A 765 -3.222 5.532 -28.974 1.00 15.73 C ATOM 1301 O ARG A 765 -2.317 5.969 -28.270 1.00 16.05 O ATOM 1302 CB ARG A 765 -2.804 3.051 -28.783 1.00 15.62 C ATOM 1303 CG ARG A 765 -3.128 1.738 -28.072 1.00 27.25 C ATOM 1304 CD ARG A 765 -2.035 0.690 -28.266 1.00 38.91 C ATOM 1305 NE ARG A 765 -1.855 0.316 -29.673 1.00 53.16 N ATOM 1306 CZ ARG A 765 -0.768 0.591 -30.392 1.00 70.72 C ATOM 1307 NH1 ARG A 765 -0.697 0.226 -31.665 1.00 51.00 N ATOM 1308 NH2 ARG A 765 0.255 1.237 -29.844 1.00 62.61 N ATOM 1309 HE ARG A 765 -2.628 -0.199 -30.141 1.00 0.00 H ATOM 1310 HH12 ARG A 765 0.154 0.443 -32.222 1.00 0.00 H ATOM 1311 HH11 ARG A 765 -1.493 -0.278 -32.107 1.00 0.00 H ATOM 1312 HH22 ARG A 765 1.101 1.448 -30.411 1.00 0.00 H ATOM 1313 HH21 ARG A 765 0.210 1.531 -28.848 1.00 0.00 H ATOM 1314 H ARG A 765 -5.971 4.060 -28.667 1.00 0.00 H ATOM 1315 N ASP A 766 -3.684 6.197 -30.071 1.00 10.16 N ATOM 1316 CA ASP A 766 -3.092 7.492 -30.486 1.00 8.48 C ATOM 1317 C ASP A 766 -4.121 8.501 -31.019 1.00 8.87 C ATOM 1318 O ASP A 766 -3.872 9.151 -32.037 1.00 8.15 O ATOM 1319 CB ASP A 766 -1.944 7.264 -31.499 1.00 9.60 C ATOM 1320 CG ASP A 766 -1.106 8.485 -31.851 1.00 17.63 C ATOM 1321 OD1 ASP A 766 -1.042 9.419 -31.035 1.00 19.73 O ATOM 1322 OD2 ASP A 766 -0.521 8.502 -32.944 1.00 19.38 O ATOM 1323 H ASP A 766 -4.464 5.790 -30.626 1.00 0.00 H ATOM 1324 N LEU A 767 -5.268 8.648 -30.329 1.00 3.29 N ATOM 1325 CA LEU A 767 -6.291 9.606 -30.750 1.00 3.00 C ATOM 1326 C LEU A 767 -5.830 11.050 -30.454 1.00 7.29 C ATOM 1327 O LEU A 767 -5.499 11.398 -29.322 1.00 5.32 O ATOM 1328 CB LEU A 767 -7.677 9.333 -30.119 1.00 3.00 C ATOM 1329 CG LEU A 767 -8.839 10.183 -30.654 1.00 7.36 C ATOM 1330 CD1 LEU A 767 -9.133 9.881 -32.143 1.00 7.57 C ATOM 1331 CD2 LEU A 767 -10.106 9.999 -29.808 1.00 10.75 C ATOM 1332 H LEU A 767 -5.430 8.069 -29.480 1.00 0.00 H ATOM 1333 N ALA A 768 -5.788 11.852 -31.512 1.00 5.83 N ATOM 1334 CA ALA A 768 -5.435 13.260 -31.547 1.00 6.45 C ATOM 1335 C ALA A 768 -5.990 13.784 -32.861 1.00 11.72 C ATOM 1336 O ALA A 768 -6.303 12.968 -33.736 1.00 10.71 O ATOM 1337 CB ALA A 768 -3.932 13.417 -31.527 1.00 6.97 C ATOM 1338 H ALA A 768 -6.038 11.420 -32.424 1.00 0.00 H ATOM 1339 N THR A 769 -6.114 15.131 -33.014 1.00 8.51 N ATOM 1340 CA THR A 769 -6.605 15.755 -34.259 1.00 7.11 C ATOM 1341 C THR A 769 -5.714 15.436 -35.473 1.00 9.53 C ATOM 1342 O THR A 769 -6.228 15.336 -36.593 1.00 9.09 O ATOM 1343 CB THR A 769 -6.775 17.259 -34.104 1.00 9.91 C ATOM 1344 OG1 THR A 769 -5.538 17.836 -33.675 1.00 10.13 O ATOM 1345 CG2 THR A 769 -7.907 17.633 -33.198 1.00 5.13 C ATOM 1346 HG1 THR A 769 -5.275 17.441 -32.806 1.00 0.00 H ATOM 1347 H THR A 769 -5.851 15.748 -32.219 1.00 0.00 H ATOM 1348 N ARG A 770 -4.393 15.263 -35.256 1.00 5.72 N ATOM 1349 CA ARG A 770 -3.436 14.901 -36.319 1.00 6.05 C ATOM 1350 C ARG A 770 -3.793 13.544 -36.972 1.00 10.95 C ATOM 1351 O ARG A 770 -3.553 13.351 -38.157 1.00 8.20 O ATOM 1352 CB ARG A 770 -1.987 14.899 -35.803 1.00 4.89 C ATOM 1353 CG ARG A 770 -1.702 13.788 -34.821 1.00 4.86 C ATOM 1354 CD ARG A 770 -0.289 13.778 -34.304 1.00 15.53 C ATOM 1355 NE ARG A 770 -0.202 12.844 -33.187 1.00 20.01 N ATOM 1356 CZ ARG A 770 -0.487 13.157 -31.931 1.00 21.73 C ATOM 1357 NH1 ARG A 770 -0.781 14.407 -31.601 1.00 6.87 N ATOM 1358 NH2 ARG A 770 -0.439 12.233 -30.987 1.00 4.85 N ATOM 1359 HE ARG A 770 0.103 11.870 -33.389 1.00 0.00 H ATOM 1360 HH12 ARG A 770 -1.004 14.645 -30.614 1.00 0.00 H ATOM 1361 HH11 ARG A 770 -0.789 15.149 -32.330 1.00 0.00 H ATOM 1362 HH22 ARG A 770 -0.663 12.483 -30.003 1.00 0.00 H ATOM 1363 HH21 ARG A 770 -0.177 11.256 -31.229 1.00 0.00 H ATOM 1364 H ARG A 770 -4.031 15.392 -34.290 1.00 0.00 H ATOM 1365 N ASN A 771 -4.393 12.616 -36.189 1.00 10.51 N ATOM 1366 CA ASN A 771 -4.821 11.314 -36.691 1.00 9.30 C ATOM 1367 C ASN A 771 -6.298 11.339 -37.097 1.00 11.43 C ATOM 1368 O ASN A 771 -6.885 10.284 -37.244 1.00 11.75 O ATOM 1369 CB ASN A 771 -4.536 10.205 -35.666 1.00 10.57 C ATOM 1370 CG ASN A 771 -3.098 9.754 -35.663 1.00 23.07 C ATOM 1371 OD1 ASN A 771 -2.409 9.744 -36.693 1.00 14.06 O ATOM 1372 ND2 ASN A 771 -2.595 9.421 -34.489 1.00 4.12 N ATOM 1373 HD22 ASN A 771 -3.197 9.439 -33.641 1.00 0.00 H ATOM 1374 HD21 ASN A 771 -1.596 9.141 -34.412 1.00 0.00 H ATOM 1375 H ASN A 771 -4.556 12.841 -35.187 1.00 0.00 H ATOM 1376 N CYS A 772 -6.901 12.523 -37.253 1.00 6.90 N ATOM 1377 CA CYS A 772 -8.301 12.665 -37.701 1.00 7.04 C ATOM 1378 C CYS A 772 -8.269 13.258 -39.105 1.00 9.01 C ATOM 1379 O CYS A 772 -7.544 14.228 -39.335 1.00 6.91 O ATOM 1380 CB CYS A 772 -9.121 13.530 -36.748 1.00 7.29 C ATOM 1381 SG CYS A 772 -9.545 12.732 -35.173 1.00 11.45 S ATOM 1382 H CYS A 772 -6.357 13.386 -37.049 1.00 0.00 H ATOM 1383 N LEU A 773 -9.017 12.671 -40.048 1.00 5.92 N ATOM 1384 CA LEU A 773 -9.026 13.146 -41.433 1.00 6.14 C ATOM 1385 C LEU A 773 -10.317 13.849 -41.800 1.00 12.30 C ATOM 1386 O LEU A 773 -11.393 13.412 -41.382 1.00 14.80 O ATOM 1387 CB LEU A 773 -8.733 11.998 -42.400 1.00 6.57 C ATOM 1388 CG LEU A 773 -7.329 11.375 -42.361 1.00 12.75 C ATOM 1389 CD1 LEU A 773 -7.293 10.117 -43.182 1.00 13.47 C ATOM 1390 CD2 LEU A 773 -6.264 12.335 -42.925 1.00 14.62 C ATOM 1391 H LEU A 773 -9.608 11.855 -39.789 1.00 0.00 H ATOM 1392 N VAL A 774 -10.223 14.932 -42.606 1.00 7.93 N ATOM 1393 CA VAL A 774 -11.386 15.729 -42.998 1.00 6.61 C ATOM 1394 C VAL A 774 -11.703 15.554 -44.497 1.00 12.27 C ATOM 1395 O VAL A 774 -10.830 15.741 -45.333 1.00 11.12 O ATOM 1396 CB VAL A 774 -11.232 17.216 -42.569 1.00 8.74 C ATOM 1397 CG1 VAL A 774 -12.523 18.005 -42.786 1.00 8.39 C ATOM 1398 CG2 VAL A 774 -10.791 17.323 -41.112 1.00 8.09 C ATOM 1399 H VAL A 774 -9.286 15.209 -42.961 1.00 0.00 H ATOM 1400 N GLY A 775 -12.937 15.169 -44.804 1.00 9.94 N ATOM 1401 CA GLY A 775 -13.385 14.980 -46.178 1.00 10.81 C ATOM 1402 C GLY A 775 -14.350 16.065 -46.594 1.00 15.79 C ATOM 1403 O GLY A 775 -14.317 17.170 -46.043 1.00 15.57 O ATOM 1404 H GLY A 775 -13.611 14.995 -44.032 1.00 0.00 H ATOM 1405 N GLU A 776 -15.217 15.766 -47.564 1.00 12.82 N ATOM 1406 CA GLU A 776 -16.245 16.733 -47.993 1.00 13.24 C ATOM 1407 C GLU A 776 -17.331 16.735 -46.927 1.00 17.41 C ATOM 1408 O GLU A 776 -17.448 15.753 -46.181 1.00 16.03 O ATOM 1409 CB GLU A 776 -16.911 16.316 -49.314 1.00 13.95 C ATOM 1410 CG GLU A 776 -16.008 16.394 -50.525 1.00 26.49 C ATOM 1411 CD GLU A 776 -16.279 15.383 -51.623 1.00 43.80 C ATOM 1412 OE1 GLU A 776 -17.468 15.121 -51.918 1.00 24.42 O ATOM 1413 OE2 GLU A 776 -15.296 14.859 -52.196 1.00 47.05 O ATOM 1414 H GLU A 776 -15.167 14.835 -48.025 1.00 0.00 H ATOM 1415 N ASN A 777 -18.140 17.827 -46.889 1.00 13.66 N ATOM 1416 CA ASN A 777 -19.319 17.991 -46.045 1.00 13.38 C ATOM 1417 C ASN A 777 -19.004 17.933 -44.536 1.00 19.45 C ATOM 1418 O ASN A 777 -19.885 17.624 -43.726 1.00 19.26 O ATOM 1419 CB ASN A 777 -20.392 16.955 -46.457 1.00 13.67 C ATOM 1420 CG ASN A 777 -20.579 16.830 -47.967 1.00 32.92 C ATOM 1421 OD1 ASN A 777 -20.606 15.733 -48.537 1.00 21.14 O ATOM 1422 ND2 ASN A 777 -20.598 17.952 -48.660 1.00 18.59 N ATOM 1423 HD22 ASN A 777 -20.575 18.868 -48.168 1.00 0.00 H ATOM 1424 HD21 ASN A 777 -20.636 17.921 -49.699 1.00 0.00 H ATOM 1425 H ASN A 777 -17.896 18.618 -47.519 1.00 0.00 H ATOM 1426 N PHE A 778 -17.740 18.255 -44.168 1.00 17.04 N ATOM 1427 CA PHE A 778 -17.238 18.249 -42.791 1.00 16.49 C ATOM 1428 C PHE A 778 -17.221 16.838 -42.183 1.00 19.23 C ATOM 1429 O PHE A 778 -17.277 16.693 -40.956 1.00 20.38 O ATOM 1430 CB PHE A 778 -18.017 19.233 -41.900 1.00 18.39 C ATOM 1431 CG PHE A 778 -18.012 20.666 -42.361 1.00 19.95 C ATOM 1432 CD1 PHE A 778 -17.029 21.544 -41.934 1.00 23.95 C ATOM 1433 CD2 PHE A 778 -19.031 21.158 -43.162 1.00 22.65 C ATOM 1434 CE1 PHE A 778 -17.036 22.881 -42.346 1.00 25.42 C ATOM 1435 CE2 PHE A 778 -19.045 22.497 -43.563 1.00 25.80 C ATOM 1436 CZ PHE A 778 -18.046 23.348 -43.153 1.00 23.99 C ATOM 1437 H PHE A 778 -17.075 18.527 -44.920 1.00 0.00 H ATOM 1438 N THR A 779 -17.130 15.805 -43.042 1.00 13.31 N ATOM 1439 CA THR A 779 -17.034 14.401 -42.629 1.00 13.01 C ATOM 1440 C THR A 779 -15.682 14.144 -41.958 1.00 15.79 C ATOM 1441 O THR A 779 -14.635 14.473 -42.527 1.00 14.88 O ATOM 1442 CB THR A 779 -17.252 13.451 -43.838 1.00 17.15 C ATOM 1443 OG1 THR A 779 -18.546 13.701 -44.397 1.00 21.33 O ATOM 1444 CG2 THR A 779 -17.142 11.971 -43.460 1.00 10.09 C ATOM 1445 HG1 THR A 779 -18.598 14.643 -44.697 1.00 0.00 H ATOM 1446 H THR A 779 -17.128 16.016 -44.060 1.00 0.00 H ATOM 1447 N ILE A 780 -15.717 13.557 -40.749 1.00 12.99 N ATOM 1448 CA ILE A 780 -14.509 13.203 -39.997 1.00 12.65 C ATOM 1449 C ILE A 780 -14.310 11.689 -40.025 1.00 14.18 C ATOM 1450 O ILE A 780 -15.244 10.923 -39.762 1.00 11.21 O ATOM 1451 CB ILE A 780 -14.488 13.755 -38.525 1.00 15.82 C ATOM 1452 CG1 ILE A 780 -14.762 15.299 -38.444 1.00 16.18 C ATOM 1453 CG2 ILE A 780 -13.181 13.365 -37.789 1.00 15.22 C ATOM 1454 CD1 ILE A 780 -13.905 16.228 -39.364 1.00 20.33 C ATOM 1455 H ILE A 780 -16.644 13.344 -40.328 1.00 0.00 H ATOM 1456 N LYS A 781 -13.068 11.270 -40.298 1.00 9.91 N ATOM 1457 CA LYS A 781 -12.709 9.866 -40.262 1.00 7.72 C ATOM 1458 C LYS A 781 -11.475 9.715 -39.414 1.00 14.02 C ATOM 1459 O LYS A 781 -10.435 10.312 -39.706 1.00 14.25 O ATOM 1460 CB LYS A 781 -12.504 9.291 -41.666 1.00 7.03 C ATOM 1461 CG LYS A 781 -13.819 9.037 -42.391 1.00 10.48 C ATOM 1462 CD LYS A 781 -13.588 8.257 -43.672 1.00 14.39 C ATOM 1463 CE LYS A 781 -14.733 8.362 -44.648 1.00 24.50 C ATOM 1464 NZ LYS A 781 -15.933 7.619 -44.195 1.00 29.10 N ATOM 1465 HZ1 LYS A 781 -15.695 6.612 -44.086 1.00 0.00 H ATOM 1466 HZ2 LYS A 781 -16.252 8.002 -43.282 1.00 0.00 H ATOM 1467 HZ3 LYS A 781 -16.690 7.723 -44.900 1.00 0.00 H ATOM 1468 H LYS A 781 -12.340 11.972 -40.543 1.00 0.00 H ATOM 1469 N ILE A 782 -11.587 8.938 -38.343 1.00 11.92 N ATOM 1470 CA ILE A 782 -10.452 8.683 -37.469 1.00 12.50 C ATOM 1471 C ILE A 782 -9.494 7.777 -38.249 1.00 14.21 C ATOM 1472 O ILE A 782 -9.935 6.804 -38.861 1.00 13.38 O ATOM 1473 CB ILE A 782 -10.937 8.048 -36.133 1.00 16.13 C ATOM 1474 CG1 ILE A 782 -11.807 9.047 -35.333 1.00 16.02 C ATOM 1475 CG2 ILE A 782 -9.748 7.579 -35.299 1.00 17.16 C ATOM 1476 CD1 ILE A 782 -12.874 8.392 -34.496 1.00 17.02 C ATOM 1477 H ILE A 782 -12.506 8.502 -38.124 1.00 0.00 H ATOM 1478 N ALA A 783 -8.204 8.126 -38.270 1.00 8.56 N ATOM 1479 CA ALA A 783 -7.169 7.352 -38.945 1.00 7.19 C ATOM 1480 C ALA A 783 -6.045 7.072 -37.950 1.00 13.12 C ATOM 1481 O ALA A 783 -6.213 7.360 -36.771 1.00 11.91 O ATOM 1482 CB ALA A 783 -6.632 8.163 -40.103 1.00 7.70 C ATOM 1483 H ALA A 783 -7.923 8.998 -37.778 1.00 0.00 H ATOM 1484 N ASP A 784 -4.888 6.553 -38.426 1.00 11.71 N ATOM 1485 CA ASP A 784 -3.681 6.353 -37.635 1.00 13.08 C ATOM 1486 C ASP A 784 -2.476 6.316 -38.573 1.00 20.66 C ATOM 1487 O ASP A 784 -2.253 5.333 -39.293 1.00 18.90 O ATOM 1488 CB ASP A 784 -3.748 5.100 -36.736 1.00 15.57 C ATOM 1489 CG ASP A 784 -2.756 5.086 -35.571 1.00 29.12 C ATOM 1490 OD1 ASP A 784 -1.952 6.049 -35.450 1.00 31.51 O ATOM 1491 OD2 ASP A 784 -2.792 4.120 -34.770 1.00 28.32 O ATOM 1492 H ASP A 784 -4.859 6.277 -39.428 1.00 0.00 H ATOM 1493 N PHE A 785 -1.737 7.428 -38.613 1.00 20.41 N ATOM 1494 CA PHE A 785 -0.558 7.531 -39.463 1.00 21.77 C ATOM 1495 C PHE A 785 0.685 7.046 -38.750 1.00 30.82 C ATOM 1496 O PHE A 785 1.698 6.774 -39.392 1.00 30.80 O ATOM 1497 CB PHE A 785 -0.387 8.962 -39.999 1.00 22.97 C ATOM 1498 CG PHE A 785 -1.417 9.297 -41.046 1.00 24.34 C ATOM 1499 CD1 PHE A 785 -2.706 9.684 -40.681 1.00 26.30 C ATOM 1500 CD2 PHE A 785 -1.113 9.205 -42.399 1.00 26.50 C ATOM 1501 CE1 PHE A 785 -3.672 9.954 -41.653 1.00 26.83 C ATOM 1502 CE2 PHE A 785 -2.079 9.486 -43.372 1.00 28.75 C ATOM 1503 CZ PHE A 785 -3.353 9.861 -42.991 1.00 26.09 C ATOM 1504 H PHE A 785 -2.010 8.240 -38.023 1.00 0.00 H ATOM 1505 N GLY A 786 0.596 6.926 -37.431 1.00 30.64 N ATOM 1506 CA GLY A 786 1.731 6.547 -36.608 1.00 32.02 C ATOM 1507 C GLY A 786 2.697 7.709 -36.566 1.00 39.92 C ATOM 1508 O GLY A 786 2.292 8.841 -36.301 1.00 40.44 O ATOM 1509 H GLY A 786 -0.318 7.110 -36.971 1.00 0.00 H ATOM 1510 N MET A 787 3.956 7.450 -36.903 1.00 39.67 N ATOM 1511 CA MET A 787 5.033 8.446 -36.924 1.00 40.84 C ATOM 1512 C MET A 787 5.569 8.640 -38.363 1.00 43.24 C ATOM 1513 O MET A 787 6.626 9.252 -38.555 1.00 42.83 O ATOM 1514 CB MET A 787 6.159 8.025 -35.952 1.00 44.27 C ATOM 1515 CG MET A 787 5.981 6.612 -35.373 1.00 49.56 C ATOM 1516 SD MET A 787 7.401 5.496 -35.559 1.00 55.56 S ATOM 1517 CE MET A 787 7.517 5.389 -37.386 1.00 52.34 C ATOM 1518 H MET A 787 4.194 6.474 -37.170 1.00 0.00 H ATOM 1519 N SER A 788 4.822 8.113 -39.368 1.00 38.70 N ATOM 1520 CA SER A 788 5.135 8.156 -40.806 1.00 38.18 C ATOM 1521 C SER A 788 5.400 9.575 -41.325 1.00 40.92 C ATOM 1522 O SER A 788 6.305 9.777 -42.134 1.00 40.42 O ATOM 1523 CB SER A 788 4.023 7.497 -41.615 1.00 41.95 C ATOM 1524 OG SER A 788 2.789 8.164 -41.415 1.00 51.93 O ATOM 1525 HG SER A 788 2.548 8.130 -40.455 1.00 0.00 H ATOM 1526 H SER A 788 3.942 7.631 -39.094 1.00 0.00 H ATOM 1527 N ARG A 789 4.628 10.551 -40.840 1.00 36.77 N ATOM 1528 CA ARG A 789 4.800 11.954 -41.186 1.00 35.96 C ATOM 1529 C ARG A 789 5.686 12.590 -40.099 1.00 41.35 C ATOM 1530 O ARG A 789 5.389 12.462 -38.904 1.00 42.65 O ATOM 1531 CB ARG A 789 3.448 12.676 -41.258 1.00 31.50 C ATOM 1532 CG ARG A 789 2.389 12.019 -42.147 1.00 35.36 C ATOM 1533 CD ARG A 789 1.003 12.620 -41.915 1.00 25.55 C ATOM 1534 NE ARG A 789 0.609 12.524 -40.504 1.00 22.23 N ATOM 1535 CZ ARG A 789 -0.601 12.809 -40.029 1.00 33.20 C ATOM 1536 NH1 ARG A 789 -1.562 13.230 -40.845 1.00 25.45 N ATOM 1537 NH2 ARG A 789 -0.857 12.682 -38.736 1.00 14.75 N ATOM 1538 HE ARG A 789 1.330 12.209 -39.824 1.00 0.00 H ATOM 1539 HH12 ARG A 789 -2.505 13.451 -40.467 1.00 0.00 H ATOM 1540 HH11 ARG A 789 -1.371 13.338 -41.861 1.00 0.00 H ATOM 1541 HH22 ARG A 789 -1.804 12.906 -38.369 1.00 0.00 H ATOM 1542 HH21 ARG A 789 -0.111 12.358 -38.088 1.00 0.00 H ATOM 1543 H ARG A 789 3.865 10.295 -40.181 1.00 0.00 H ATOM 1544 N ASN A 790 6.765 13.277 -40.509 1.00 36.19 N ATOM 1545 CA ASN A 790 7.679 13.944 -39.582 1.00 35.09 C ATOM 1546 C ASN A 790 7.092 15.260 -39.043 1.00 36.36 C ATOM 1547 O ASN A 790 7.697 15.895 -38.179 1.00 36.80 O ATOM 1548 CB ASN A 790 9.031 14.189 -40.253 1.00 39.42 C ATOM 1549 CG ASN A 790 10.231 13.892 -39.384 1.00 64.58 C ATOM 1550 OD1 ASN A 790 11.254 13.392 -39.868 1.00 57.96 O ATOM 1551 ND2 ASN A 790 10.148 14.195 -38.086 1.00 56.39 N ATOM 1552 HD22 ASN A 790 9.276 14.615 -37.705 1.00 0.00 H ATOM 1553 HD21 ASN A 790 10.955 14.011 -37.456 1.00 0.00 H ATOM 1554 H ASN A 790 6.959 13.337 -41.529 1.00 0.00 H ATOM 1555 N LEU A 791 5.889 15.628 -39.520 1.00 29.00 N ATOM 1556 CA LEU A 791 5.135 16.834 -39.180 1.00 26.85 C ATOM 1557 C LEU A 791 4.931 17.048 -37.678 1.00 27.82 C ATOM 1558 O LEU A 791 5.125 18.164 -37.194 1.00 28.69 O ATOM 1559 CB LEU A 791 3.756 16.812 -39.899 1.00 26.61 C ATOM 1560 CG LEU A 791 3.709 16.361 -41.391 1.00 29.67 C ATOM 1561 CD1 LEU A 791 2.270 16.266 -41.908 1.00 29.07 C ATOM 1562 CD2 LEU A 791 4.506 17.278 -42.262 1.00 29.98 C ATOM 1563 H LEU A 791 5.447 14.984 -40.206 1.00 0.00 H ATOM 1564 N TYR A 792 4.599 15.972 -36.939 1.00 19.91 N ATOM 1565 CA TYR A 792 4.256 16.024 -35.521 1.00 17.17 C ATOM 1566 C TYR A 792 5.259 15.376 -34.541 1.00 18.38 C ATOM 1567 O TYR A 792 4.814 14.843 -33.522 1.00 16.79 O ATOM 1568 CB TYR A 792 2.860 15.404 -35.336 1.00 16.59 C ATOM 1569 CG TYR A 792 1.809 16.066 -36.204 1.00 16.59 C ATOM 1570 CD1 TYR A 792 1.219 17.267 -35.822 1.00 17.38 C ATOM 1571 CD2 TYR A 792 1.444 15.519 -37.432 1.00 16.44 C ATOM 1572 CE1 TYR A 792 0.262 17.887 -36.617 1.00 14.58 C ATOM 1573 CE2 TYR A 792 0.510 16.149 -38.251 1.00 16.97 C ATOM 1574 CZ TYR A 792 -0.081 17.331 -37.835 1.00 18.32 C ATOM 1575 OH TYR A 792 -1.021 17.947 -38.611 1.00 14.56 O ATOM 1576 HH TYR A 792 -1.788 17.336 -38.746 1.00 0.00 H ATOM 1577 H TYR A 792 4.586 15.044 -37.409 1.00 0.00 H ATOM 1578 N ALA A 793 6.595 15.472 -34.794 1.00 14.12 N ATOM 1579 CA ALA A 793 7.606 14.891 -33.881 1.00 13.78 C ATOM 1580 C ALA A 793 7.561 15.502 -32.473 1.00 17.10 C ATOM 1581 O ALA A 793 7.852 14.802 -31.508 1.00 15.63 O ATOM 1582 CB ALA A 793 9.007 15.006 -34.461 1.00 14.44 C ATOM 1583 H ALA A 793 6.913 15.967 -35.652 1.00 0.00 H ATOM 1584 N GLY A 794 7.139 16.773 -32.368 1.00 14.49 N ATOM 1585 CA GLY A 794 6.994 17.472 -31.093 1.00 13.52 C ATOM 1586 C GLY A 794 5.891 16.923 -30.196 1.00 16.98 C ATOM 1587 O GLY A 794 5.835 17.260 -28.999 1.00 16.30 O ATOM 1588 H GLY A 794 6.903 17.287 -33.241 1.00 0.00 H ATOM 1589 N ASP A 795 4.987 16.090 -30.771 1.00 11.72 N ATOM 1590 CA ASP A 795 3.843 15.498 -30.055 1.00 11.89 C ATOM 1591 C ASP A 795 4.133 14.127 -29.476 1.00 15.01 C ATOM 1592 O ASP A 795 3.257 13.529 -28.864 1.00 13.35 O ATOM 1593 CB ASP A 795 2.613 15.417 -30.967 1.00 12.98 C ATOM 1594 CG ASP A 795 2.017 16.755 -31.318 1.00 23.33 C ATOM 1595 OD1 ASP A 795 2.237 17.738 -30.541 1.00 22.22 O ATOM 1596 OD2 ASP A 795 1.336 16.840 -32.368 1.00 32.20 O ATOM 1597 H ASP A 795 5.109 15.855 -31.777 1.00 0.00 H ATOM 1598 N TYR A 796 5.359 13.636 -29.688 1.00 11.84 N ATOM 1599 CA TYR A 796 5.815 12.332 -29.263 1.00 11.55 C ATOM 1600 C TYR A 796 7.090 12.464 -28.489 1.00 16.31 C ATOM 1601 O TYR A 796 7.976 13.244 -28.839 1.00 15.49 O ATOM 1602 CB TYR A 796 6.046 11.418 -30.479 1.00 12.02 C ATOM 1603 CG TYR A 796 4.790 11.093 -31.250 1.00 11.39 C ATOM 1604 CD1 TYR A 796 3.984 10.019 -30.888 1.00 13.38 C ATOM 1605 CD2 TYR A 796 4.392 11.873 -32.324 1.00 11.46 C ATOM 1606 CE1 TYR A 796 2.813 9.726 -31.590 1.00 14.52 C ATOM 1607 CE2 TYR A 796 3.216 11.610 -33.012 1.00 11.91 C ATOM 1608 CZ TYR A 796 2.437 10.526 -32.654 1.00 18.48 C ATOM 1609 OH TYR A 796 1.310 10.258 -33.382 1.00 18.98 O ATOM 1610 HH TYR A 796 0.860 9.459 -33.009 1.00 0.00 H ATOM 1611 H TYR A 796 6.036 14.239 -30.198 1.00 0.00 H ATOM 1612 N TYR A 797 7.183 11.665 -27.445 1.00 12.98 N ATOM 1613 CA TYR A 797 8.300 11.648 -26.547 1.00 11.80 C ATOM 1614 C TYR A 797 8.881 10.243 -26.436 1.00 16.21 C ATOM 1615 O TYR A 797 8.135 9.281 -26.237 1.00 15.90 O ATOM 1616 CB TYR A 797 7.823 12.184 -25.200 1.00 12.00 C ATOM 1617 CG TYR A 797 8.888 12.225 -24.133 1.00 13.57 C ATOM 1618 CD1 TYR A 797 9.916 13.157 -24.185 1.00 14.54 C ATOM 1619 CD2 TYR A 797 8.902 11.295 -23.104 1.00 15.53 C ATOM 1620 CE1 TYR A 797 10.912 13.186 -23.216 1.00 16.04 C ATOM 1621 CE2 TYR A 797 9.898 11.309 -22.133 1.00 17.44 C ATOM 1622 CZ TYR A 797 10.881 12.281 -22.171 1.00 24.93 C ATOM 1623 OH TYR A 797 11.831 12.329 -21.183 1.00 27.39 O ATOM 1624 HH TYR A 797 12.453 13.078 -21.361 1.00 0.00 H ATOM 1625 H TYR A 797 6.399 11.007 -27.262 1.00 0.00 H ATOM 1626 N ARG A 798 10.210 10.135 -26.586 1.00 14.20 N ATOM 1627 CA ARG A 798 10.956 8.871 -26.503 1.00 15.55 C ATOM 1628 C ARG A 798 11.235 8.523 -25.046 1.00 22.33 C ATOM 1629 O ARG A 798 12.112 9.117 -24.413 1.00 23.11 O ATOM 1630 CB ARG A 798 12.272 8.957 -27.313 1.00 15.47 C ATOM 1631 CG ARG A 798 13.111 7.672 -27.385 1.00 27.88 C ATOM 1632 CD ARG A 798 14.488 7.992 -27.950 1.00 40.26 C ATOM 1633 NE ARG A 798 15.573 7.251 -27.300 1.00 54.93 N ATOM 1634 CZ ARG A 798 16.867 7.560 -27.405 1.00 68.43 C ATOM 1635 NH1 ARG A 798 17.251 8.618 -28.111 1.00 54.44 N ATOM 1636 NH2 ARG A 798 17.785 6.818 -26.796 1.00 48.79 N ATOM 1637 HE ARG A 798 15.317 6.428 -26.717 1.00 0.00 H ATOM 1638 HH12 ARG A 798 18.261 8.853 -28.188 1.00 0.00 H ATOM 1639 HH11 ARG A 798 16.541 9.211 -28.586 1.00 0.00 H ATOM 1640 HH22 ARG A 798 18.792 7.063 -26.881 1.00 0.00 H ATOM 1641 HH21 ARG A 798 17.497 5.992 -26.234 1.00 0.00 H ATOM 1642 H ARG A 798 10.749 11.004 -26.774 1.00 0.00 H ATOM 1643 N VAL A 799 10.524 7.531 -24.525 1.00 20.27 N ATOM 1644 CA VAL A 799 10.727 7.098 -23.140 1.00 20.93 C ATOM 1645 C VAL A 799 11.871 6.059 -23.036 1.00 28.40 C ATOM 1646 O VAL A 799 12.595 5.826 -24.020 1.00 27.89 O ATOM 1647 CB VAL A 799 9.409 6.629 -22.475 1.00 24.04 C ATOM 1648 CG1 VAL A 799 8.371 7.753 -22.464 1.00 24.05 C ATOM 1649 CG2 VAL A 799 8.852 5.375 -23.153 1.00 23.42 C ATOM 1650 H VAL A 799 9.810 7.052 -25.110 1.00 0.00 H ATOM 1651 N GLN A 800 12.026 5.450 -21.847 1.00 28.50 N ATOM 1652 CA GLN A 800 13.011 4.402 -21.567 1.00 30.95 C ATOM 1653 C GLN A 800 12.651 3.096 -22.298 1.00 37.60 C ATOM 1654 O GLN A 800 11.617 2.484 -22.012 1.00 38.43 O ATOM 1655 CB GLN A 800 13.233 4.210 -20.044 1.00 32.55 C ATOM 1656 CG GLN A 800 12.091 3.552 -19.261 1.00 58.67 C ATOM 1657 CD GLN A 800 10.857 4.404 -19.138 1.00 79.39 C ATOM 1658 OE1 GLN A 800 9.941 4.329 -19.965 1.00 72.55 O ATOM 1659 NE2 GLN A 800 10.803 5.217 -18.093 1.00 75.13 N ATOM 1660 HE22 GLN A 800 11.595 5.251 -17.419 1.00 0.00 H ATOM 1661 HE21 GLN A 800 9.969 5.821 -17.947 1.00 0.00 H ATOM 1662 H GLN A 800 11.401 5.744 -21.070 1.00 0.00 H ATOM 1663 N GLY A 801 13.466 2.750 -23.292 1.00 34.60 N ATOM 1664 CA GLY A 801 13.294 1.556 -24.112 1.00 34.38 C ATOM 1665 C GLY A 801 13.205 1.795 -25.606 1.00 38.35 C ATOM 1666 O GLY A 801 13.036 0.845 -26.365 1.00 39.17 O ATOM 1667 H GLY A 801 14.276 3.370 -23.497 1.00 0.00 H ATOM 1668 N ARG A 802 13.327 3.063 -26.031 1.00 33.64 N ATOM 1669 CA ARG A 802 13.215 3.588 -27.397 1.00 31.76 C ATOM 1670 C ARG A 802 11.742 3.631 -27.880 1.00 30.72 C ATOM 1671 O ARG A 802 11.498 3.899 -29.059 1.00 29.47 O ATOM 1672 CB ARG A 802 14.155 2.892 -28.403 1.00 32.25 C ATOM 1673 H ARG A 802 13.528 3.768 -25.293 1.00 0.00 H ATOM 1674 N ALA A 803 10.768 3.415 -26.961 1.00 23.63 N ATOM 1675 CA ALA A 803 9.344 3.535 -27.284 1.00 21.97 C ATOM 1676 C ALA A 803 9.029 5.031 -27.377 1.00 23.86 C ATOM 1677 O ALA A 803 9.460 5.800 -26.518 1.00 23.83 O ATOM 1678 CB ALA A 803 8.496 2.878 -26.203 1.00 22.71 C ATOM 1679 H ALA A 803 11.042 3.155 -25.992 1.00 0.00 H ATOM 1680 N VAL A 804 8.337 5.451 -28.449 1.00 18.77 N ATOM 1681 CA VAL A 804 8.018 6.847 -28.725 1.00 17.90 C ATOM 1682 C VAL A 804 6.497 6.994 -28.625 1.00 22.72 C ATOM 1683 O VAL A 804 5.761 6.545 -29.514 1.00 22.38 O ATOM 1684 CB VAL A 804 8.615 7.298 -30.097 1.00 21.87 C ATOM 1685 CG1 VAL A 804 8.521 8.798 -30.286 1.00 21.11 C ATOM 1686 CG2 VAL A 804 10.064 6.838 -30.261 1.00 21.44 C ATOM 1687 H VAL A 804 8.007 4.734 -29.126 1.00 0.00 H ATOM 1688 N LEU A 805 6.039 7.611 -27.509 1.00 17.41 N ATOM 1689 CA LEU A 805 4.643 7.765 -27.109 1.00 15.02 C ATOM 1690 C LEU A 805 4.086 9.199 -27.124 1.00 15.21 C ATOM 1691 O LEU A 805 4.830 10.116 -26.807 1.00 12.89 O ATOM 1692 CB LEU A 805 4.490 7.175 -25.690 1.00 15.08 C ATOM 1693 CG LEU A 805 4.790 5.660 -25.538 1.00 19.91 C ATOM 1694 CD1 LEU A 805 5.085 5.309 -24.088 1.00 20.10 C ATOM 1695 CD2 LEU A 805 3.635 4.824 -26.036 1.00 23.13 C ATOM 1696 H LEU A 805 6.755 8.016 -26.872 1.00 0.00 H ATOM 1697 N PRO A 806 2.754 9.385 -27.391 1.00 11.27 N ATOM 1698 CA PRO A 806 2.159 10.743 -27.396 1.00 9.84 C ATOM 1699 C PRO A 806 1.679 11.142 -26.003 1.00 10.88 C ATOM 1700 O PRO A 806 0.474 11.304 -25.765 1.00 9.65 O ATOM 1701 CB PRO A 806 0.969 10.569 -28.333 1.00 11.91 C ATOM 1702 CG PRO A 806 0.517 9.155 -28.070 1.00 15.96 C ATOM 1703 CD PRO A 806 1.757 8.365 -27.801 1.00 11.42 C ATOM 1704 N ILE A 807 2.623 11.274 -25.077 1.00 6.58 N ATOM 1705 CA ILE A 807 2.394 11.479 -23.633 1.00 6.08 C ATOM 1706 C ILE A 807 1.365 12.576 -23.285 1.00 12.92 C ATOM 1707 O ILE A 807 0.593 12.360 -22.351 1.00 14.23 O ATOM 1708 CB ILE A 807 3.704 11.664 -22.835 1.00 7.52 C ATOM 1709 CG1 ILE A 807 4.555 12.864 -23.373 1.00 7.89 C ATOM 1710 CG2 ILE A 807 4.524 10.345 -22.867 1.00 6.50 C ATOM 1711 CD1 ILE A 807 5.703 13.355 -22.387 1.00 11.60 C ATOM 1712 H ILE A 807 3.611 11.229 -25.398 1.00 0.00 H ATOM 1713 N ARG A 808 1.288 13.685 -24.045 1.00 9.85 N ATOM 1714 CA ARG A 808 0.352 14.774 -23.714 1.00 10.22 C ATOM 1715 C ARG A 808 -1.111 14.410 -23.928 1.00 14.33 C ATOM 1716 O ARG A 808 -1.982 15.147 -23.471 1.00 13.55 O ATOM 1717 CB ARG A 808 0.715 16.087 -24.457 1.00 11.31 C ATOM 1718 CG ARG A 808 2.017 16.732 -23.991 1.00 11.78 C ATOM 1719 CD ARG A 808 2.628 17.648 -25.032 1.00 5.10 C ATOM 1720 NE ARG A 808 4.010 18.020 -24.681 1.00 8.48 N ATOM 1721 CZ ARG A 808 4.336 19.060 -23.913 1.00 23.20 C ATOM 1722 NH1 ARG A 808 3.394 19.831 -23.395 1.00 3.95 N ATOM 1723 NH2 ARG A 808 5.610 19.316 -23.632 1.00 10.32 N ATOM 1724 HE ARG A 808 4.782 17.433 -25.057 1.00 0.00 H ATOM 1725 HH12 ARG A 808 3.655 20.641 -22.797 1.00 0.00 H ATOM 1726 HH11 ARG A 808 2.392 19.628 -23.586 1.00 0.00 H ATOM 1727 HH22 ARG A 808 5.857 20.129 -23.032 1.00 0.00 H ATOM 1728 HH21 ARG A 808 6.360 18.703 -24.012 1.00 0.00 H ATOM 1729 H ARG A 808 1.900 13.775 -24.881 1.00 0.00 H ATOM 1730 N TRP A 809 -1.382 13.282 -24.626 1.00 11.53 N ATOM 1731 CA TRP A 809 -2.724 12.770 -24.949 1.00 10.33 C ATOM 1732 C TRP A 809 -3.042 11.519 -24.153 1.00 17.08 C ATOM 1733 O TRP A 809 -4.173 11.035 -24.179 1.00 18.20 O ATOM 1734 CB TRP A 809 -2.794 12.424 -26.446 1.00 8.16 C ATOM 1735 CG TRP A 809 -3.013 13.611 -27.323 1.00 8.14 C ATOM 1736 CD1 TRP A 809 -4.195 14.041 -27.831 1.00 10.77 C ATOM 1737 CD2 TRP A 809 -2.018 14.548 -27.763 1.00 8.33 C ATOM 1738 NE1 TRP A 809 -4.006 15.195 -28.556 1.00 10.19 N ATOM 1739 CE2 TRP A 809 -2.687 15.556 -28.489 1.00 10.94 C ATOM 1740 CE3 TRP A 809 -0.619 14.647 -27.587 1.00 9.77 C ATOM 1741 CZ2 TRP A 809 -2.014 16.629 -29.074 1.00 10.24 C ATOM 1742 CZ3 TRP A 809 0.043 15.738 -28.134 1.00 11.17 C ATOM 1743 CH2 TRP A 809 -0.645 16.700 -28.886 1.00 11.65 C ATOM 1744 HE1 TRP A 809 -4.747 15.711 -29.072 1.00 0.00 H ATOM 1745 H TRP A 809 -0.570 12.728 -24.964 1.00 0.00 H ATOM 1746 N MET A 810 -2.036 10.982 -23.462 1.00 13.77 N ATOM 1747 CA MET A 810 -2.107 9.729 -22.715 1.00 11.59 C ATOM 1748 C MET A 810 -2.593 9.870 -21.279 1.00 14.74 C ATOM 1749 O MET A 810 -2.098 10.728 -20.542 1.00 13.69 O ATOM 1750 CB MET A 810 -0.739 9.054 -22.717 1.00 12.72 C ATOM 1751 CG MET A 810 -0.433 8.298 -23.967 1.00 15.66 C ATOM 1752 SD MET A 810 1.357 8.047 -24.135 1.00 19.65 S ATOM 1753 CE MET A 810 1.687 6.757 -22.860 1.00 15.51 C ATOM 1754 H MET A 810 -1.131 11.495 -23.454 1.00 0.00 H ATOM 1755 N ALA A 811 -3.486 8.935 -20.856 1.00 10.04 N ATOM 1756 CA ALA A 811 -4.005 8.814 -19.488 1.00 8.92 C ATOM 1757 C ALA A 811 -2.841 8.466 -18.584 1.00 12.93 C ATOM 1758 O ALA A 811 -1.814 7.990 -19.068 1.00 13.02 O ATOM 1759 CB ALA A 811 -5.091 7.743 -19.401 1.00 8.70 C ATOM 1760 H ALA A 811 -3.829 8.250 -21.559 1.00 0.00 H ATOM 1761 N TRP A 812 -2.976 8.758 -17.286 1.00 9.65 N ATOM 1762 CA TRP A 812 -1.923 8.569 -16.300 1.00 9.15 C ATOM 1763 C TRP A 812 -1.480 7.097 -16.131 1.00 12.33 C ATOM 1764 O TRP A 812 -0.290 6.833 -15.895 1.00 9.88 O ATOM 1765 CB TRP A 812 -2.339 9.198 -14.973 1.00 7.76 C ATOM 1766 CG TRP A 812 -3.436 8.470 -14.267 1.00 8.24 C ATOM 1767 CD1 TRP A 812 -4.768 8.740 -14.331 1.00 10.80 C ATOM 1768 CD2 TRP A 812 -3.288 7.358 -13.364 1.00 7.92 C ATOM 1769 NE1 TRP A 812 -5.465 7.856 -13.541 1.00 11.07 N ATOM 1770 CE2 TRP A 812 -4.581 6.988 -12.944 1.00 12.20 C ATOM 1771 CE3 TRP A 812 -2.188 6.635 -12.878 1.00 9.03 C ATOM 1772 CZ2 TRP A 812 -4.804 5.932 -12.057 1.00 11.62 C ATOM 1773 CZ3 TRP A 812 -2.411 5.564 -12.026 1.00 10.54 C ATOM 1774 CH2 TRP A 812 -3.705 5.206 -11.644 1.00 11.34 C ATOM 1775 HE1 TRP A 812 -6.497 7.846 -13.415 1.00 0.00 H ATOM 1776 H TRP A 812 -3.887 9.143 -16.963 1.00 0.00 H ATOM 1777 N GLU A 813 -2.432 6.138 -16.274 1.00 9.98 N ATOM 1778 CA GLU A 813 -2.112 4.709 -16.158 1.00 10.55 C ATOM 1779 C GLU A 813 -1.277 4.205 -17.346 1.00 15.85 C ATOM 1780 O GLU A 813 -0.547 3.241 -17.179 1.00 15.12 O ATOM 1781 CB GLU A 813 -3.348 3.832 -15.911 1.00 11.41 C ATOM 1782 CG GLU A 813 -4.362 3.824 -17.042 1.00 15.95 C ATOM 1783 CD GLU A 813 -5.348 4.973 -17.082 1.00 22.02 C ATOM 1784 OE1 GLU A 813 -5.147 5.987 -16.377 1.00 10.97 O ATOM 1785 OE2 GLU A 813 -6.330 4.860 -17.844 1.00 21.99 O ATOM 1786 H GLU A 813 -3.413 6.423 -16.471 1.00 0.00 H ATOM 1787 N CYS A 814 -1.389 4.868 -18.526 1.00 14.87 N ATOM 1788 CA CYS A 814 -0.681 4.575 -19.787 1.00 14.69 C ATOM 1789 C CYS A 814 0.805 4.878 -19.673 1.00 17.19 C ATOM 1790 O CYS A 814 1.638 4.090 -20.126 1.00 15.83 O ATOM 1791 CB CYS A 814 -1.291 5.362 -20.945 1.00 15.06 C ATOM 1792 SG CYS A 814 -3.057 5.073 -21.215 1.00 19.06 S ATOM 1793 H CYS A 814 -2.048 5.673 -18.543 1.00 0.00 H ATOM 1794 N ILE A 815 1.121 6.072 -19.161 1.00 15.48 N ATOM 1795 CA ILE A 815 2.486 6.608 -18.995 1.00 16.26 C ATOM 1796 C ILE A 815 3.264 5.824 -17.922 1.00 19.95 C ATOM 1797 O ILE A 815 4.441 5.543 -18.103 1.00 21.47 O ATOM 1798 CB ILE A 815 2.418 8.143 -18.680 1.00 19.62 C ATOM 1799 CG1 ILE A 815 1.556 8.895 -19.735 1.00 20.19 C ATOM 1800 CG2 ILE A 815 3.813 8.784 -18.517 1.00 20.33 C ATOM 1801 CD1 ILE A 815 1.100 10.373 -19.322 1.00 30.43 C ATOM 1802 H ILE A 815 0.334 6.678 -18.852 1.00 0.00 H ATOM 1803 N LEU A 816 2.604 5.470 -16.833 1.00 14.82 N ATOM 1804 CA LEU A 816 3.208 4.758 -15.713 1.00 14.82 C ATOM 1805 C LEU A 816 3.197 3.217 -15.815 1.00 21.73 C ATOM 1806 O LEU A 816 4.160 2.586 -15.367 1.00 22.18 O ATOM 1807 CB LEU A 816 2.541 5.176 -14.395 1.00 13.70 C ATOM 1808 CG LEU A 816 2.544 6.643 -13.993 1.00 18.83 C ATOM 1809 CD1 LEU A 816 1.910 6.793 -12.618 1.00 19.76 C ATOM 1810 CD2 LEU A 816 3.979 7.242 -13.972 1.00 19.72 C ATOM 1811 H LEU A 816 1.595 5.714 -16.771 1.00 0.00 H ATOM 1812 N MET A 817 2.108 2.615 -16.337 1.00 17.51 N ATOM 1813 CA MET A 817 1.979 1.144 -16.398 1.00 18.35 C ATOM 1814 C MET A 817 1.849 0.533 -17.775 1.00 21.28 C ATOM 1815 O MET A 817 1.935 -0.696 -17.890 1.00 22.66 O ATOM 1816 CB MET A 817 0.790 0.668 -15.549 1.00 21.47 C ATOM 1817 CG MET A 817 1.000 0.861 -14.087 1.00 26.68 C ATOM 1818 SD MET A 817 -0.484 1.513 -13.337 1.00 32.73 S ATOM 1819 CE MET A 817 0.206 2.966 -12.523 1.00 29.45 C ATOM 1820 H MET A 817 1.336 3.204 -16.708 1.00 0.00 H ATOM 1821 N GLY A 818 1.640 1.358 -18.802 1.00 14.41 N ATOM 1822 CA GLY A 818 1.449 0.858 -20.159 1.00 13.09 C ATOM 1823 C GLY A 818 0.088 0.196 -20.301 1.00 16.50 C ATOM 1824 O GLY A 818 -0.091 -0.697 -21.137 1.00 17.60 O ATOM 1825 H GLY A 818 1.613 2.383 -18.631 1.00 0.00 H ATOM 1826 N LYS A 819 -0.882 0.636 -19.472 1.00 11.06 N ATOM 1827 CA LYS A 819 -2.238 0.095 -19.432 1.00 10.28 C ATOM 1828 C LYS A 819 -3.116 0.895 -20.377 1.00 13.92 C ATOM 1829 O LYS A 819 -3.602 1.951 -19.997 1.00 12.53 O ATOM 1830 CB LYS A 819 -2.774 0.116 -17.982 1.00 12.54 C ATOM 1831 CG LYS A 819 -3.881 -0.903 -17.721 1.00 25.26 C ATOM 1832 CD LYS A 819 -5.019 -0.318 -16.916 1.00 31.68 C ATOM 1833 CE LYS A 819 -6.235 -1.217 -16.893 1.00 38.32 C ATOM 1834 NZ LYS A 819 -7.456 -0.483 -16.463 1.00 38.18 N ATOM 1835 HZ1 LYS A 819 -7.312 -0.103 -15.506 1.00 0.00 H ATOM 1836 HZ2 LYS A 819 -7.640 0.299 -17.124 1.00 0.00 H ATOM 1837 HZ3 LYS A 819 -8.267 -1.134 -16.460 1.00 0.00 H ATOM 1838 H LYS A 819 -0.649 1.411 -18.819 1.00 0.00 H ATOM 1839 N PHE A 820 -3.223 0.431 -21.663 1.00 12.31 N ATOM 1840 CA PHE A 820 -4.010 1.049 -22.745 1.00 10.67 C ATOM 1841 C PHE A 820 -5.353 0.338 -22.898 1.00 16.15 C ATOM 1842 O PHE A 820 -5.404 -0.864 -23.158 1.00 18.01 O ATOM 1843 CB PHE A 820 -3.238 1.015 -24.063 1.00 11.39 C ATOM 1844 CG PHE A 820 -2.016 1.902 -24.113 1.00 11.49 C ATOM 1845 CD1 PHE A 820 -2.124 3.240 -24.472 1.00 12.64 C ATOM 1846 CD2 PHE A 820 -0.757 1.398 -23.796 1.00 13.23 C ATOM 1847 CE1 PHE A 820 -0.989 4.049 -24.546 1.00 14.18 C ATOM 1848 CE2 PHE A 820 0.378 2.215 -23.847 1.00 15.30 C ATOM 1849 CZ PHE A 820 0.253 3.535 -24.216 1.00 13.47 C ATOM 1850 H PHE A 820 -2.700 -0.437 -21.896 1.00 0.00 H ATOM 1851 N THR A 821 -6.440 1.066 -22.692 1.00 11.34 N ATOM 1852 CA THR A 821 -7.802 0.514 -22.751 1.00 9.30 C ATOM 1853 C THR A 821 -8.700 1.547 -23.420 1.00 10.79 C ATOM 1854 O THR A 821 -8.271 2.677 -23.665 1.00 9.49 O ATOM 1855 CB THR A 821 -8.335 0.268 -21.311 1.00 14.93 C ATOM 1856 OG1 THR A 821 -8.285 1.502 -20.590 1.00 19.36 O ATOM 1857 CG2 THR A 821 -7.562 -0.813 -20.540 1.00 9.56 C ATOM 1858 HG1 THR A 821 -7.350 1.824 -20.554 1.00 0.00 H ATOM 1859 H THR A 821 -6.325 2.077 -22.478 1.00 0.00 H ATOM 1860 N THR A 822 -9.962 1.172 -23.676 1.00 6.92 N ATOM 1861 CA THR A 822 -11.009 2.044 -24.176 1.00 7.52 C ATOM 1862 C THR A 822 -11.092 3.312 -23.287 1.00 14.01 C ATOM 1863 O THR A 822 -11.267 4.411 -23.822 1.00 15.26 O ATOM 1864 CB THR A 822 -12.322 1.255 -24.203 1.00 17.45 C ATOM 1865 OG1 THR A 822 -12.231 0.292 -25.261 1.00 21.66 O ATOM 1866 CG2 THR A 822 -13.561 2.142 -24.386 1.00 9.93 C ATOM 1867 HG1 THR A 822 -13.069 -0.233 -25.301 1.00 0.00 H ATOM 1868 H THR A 822 -10.210 0.177 -23.502 1.00 0.00 H ATOM 1869 N ALA A 823 -10.949 3.144 -21.942 1.00 10.88 N ATOM 1870 CA ALA A 823 -10.990 4.204 -20.933 1.00 11.37 C ATOM 1871 C ALA A 823 -9.918 5.246 -21.156 1.00 16.13 C ATOM 1872 O ALA A 823 -10.197 6.417 -20.950 1.00 18.16 O ATOM 1873 CB ALA A 823 -10.840 3.619 -19.538 1.00 12.25 C ATOM 1874 H ALA A 823 -10.797 2.173 -21.601 1.00 0.00 H ATOM 1875 N SER A 824 -8.689 4.828 -21.539 1.00 10.08 N ATOM 1876 CA SER A 824 -7.602 5.760 -21.825 1.00 9.44 C ATOM 1877 C SER A 824 -7.786 6.387 -23.212 1.00 12.55 C ATOM 1878 O SER A 824 -7.271 7.467 -23.443 1.00 10.61 O ATOM 1879 CB SER A 824 -6.234 5.102 -21.675 1.00 10.43 C ATOM 1880 OG SER A 824 -6.071 3.904 -22.407 1.00 19.20 O ATOM 1881 HG SER A 824 -6.196 4.088 -23.372 1.00 0.00 H ATOM 1882 H SER A 824 -8.513 3.807 -21.633 1.00 0.00 H ATOM 1883 N ASP A 825 -8.573 5.745 -24.114 1.00 10.37 N ATOM 1884 CA ASP A 825 -8.912 6.348 -25.405 1.00 10.86 C ATOM 1885 C ASP A 825 -9.817 7.580 -25.128 1.00 12.70 C ATOM 1886 O ASP A 825 -9.636 8.595 -25.779 1.00 11.79 O ATOM 1887 CB ASP A 825 -9.601 5.340 -26.357 1.00 13.33 C ATOM 1888 CG ASP A 825 -8.695 4.441 -27.192 1.00 27.88 C ATOM 1889 OD1 ASP A 825 -7.461 4.691 -27.232 1.00 27.67 O ATOM 1890 OD2 ASP A 825 -9.224 3.539 -27.865 1.00 38.38 O ATOM 1891 H ASP A 825 -8.944 4.802 -23.882 1.00 0.00 H ATOM 1892 N VAL A 826 -10.701 7.500 -24.091 1.00 10.79 N ATOM 1893 CA VAL A 826 -11.620 8.565 -23.578 1.00 11.19 C ATOM 1894 C VAL A 826 -10.762 9.765 -23.109 1.00 13.46 C ATOM 1895 O VAL A 826 -11.017 10.894 -23.521 1.00 10.47 O ATOM 1896 CB VAL A 826 -12.556 8.035 -22.433 1.00 15.06 C ATOM 1897 CG1 VAL A 826 -13.345 9.156 -21.762 1.00 14.86 C ATOM 1898 CG2 VAL A 826 -13.497 6.939 -22.928 1.00 14.70 C ATOM 1899 H VAL A 826 -10.741 6.586 -23.596 1.00 0.00 H ATOM 1900 N TRP A 827 -9.712 9.505 -22.304 1.00 10.87 N ATOM 1901 CA TRP A 827 -8.799 10.564 -21.849 1.00 11.08 C ATOM 1902 C TRP A 827 -8.266 11.349 -23.061 1.00 15.21 C ATOM 1903 O TRP A 827 -8.356 12.577 -23.075 1.00 15.87 O ATOM 1904 CB TRP A 827 -7.641 9.965 -21.037 1.00 9.50 C ATOM 1905 CG TRP A 827 -6.726 10.950 -20.365 1.00 10.96 C ATOM 1906 CD1 TRP A 827 -5.858 11.810 -20.971 1.00 13.68 C ATOM 1907 CD2 TRP A 827 -6.477 11.063 -18.947 1.00 11.21 C ATOM 1908 NE1 TRP A 827 -5.089 12.455 -20.025 1.00 13.22 N ATOM 1909 CE2 TRP A 827 -5.456 12.024 -18.777 1.00 14.92 C ATOM 1910 CE3 TRP A 827 -6.990 10.412 -17.812 1.00 12.65 C ATOM 1911 CZ2 TRP A 827 -4.949 12.359 -17.518 1.00 14.95 C ATOM 1912 CZ3 TRP A 827 -6.521 10.778 -16.561 1.00 14.73 C ATOM 1913 CH2 TRP A 827 -5.494 11.723 -16.421 1.00 15.57 C ATOM 1914 HE1 TRP A 827 -4.348 13.157 -20.227 1.00 0.00 H ATOM 1915 H TRP A 827 -9.543 8.526 -21.996 1.00 0.00 H ATOM 1916 N ALA A 828 -7.754 10.625 -24.076 1.00 10.75 N ATOM 1917 CA ALA A 828 -7.220 11.139 -25.339 1.00 9.98 C ATOM 1918 C ALA A 828 -8.311 11.895 -26.134 1.00 11.46 C ATOM 1919 O ALA A 828 -8.032 12.969 -26.672 1.00 8.30 O ATOM 1920 CB ALA A 828 -6.627 10.002 -26.156 1.00 10.20 C ATOM 1921 H ALA A 828 -7.736 9.593 -23.949 1.00 0.00 H ATOM 1922 N PHE A 829 -9.572 11.380 -26.125 1.00 7.58 N ATOM 1923 CA PHE A 829 -10.685 12.092 -26.735 1.00 6.67 C ATOM 1924 C PHE A 829 -10.881 13.429 -26.015 1.00 11.11 C ATOM 1925 O PHE A 829 -11.155 14.437 -26.671 1.00 12.05 O ATOM 1926 CB PHE A 829 -11.988 11.292 -26.678 1.00 9.38 C ATOM 1927 CG PHE A 829 -13.133 12.036 -27.336 1.00 11.88 C ATOM 1928 CD1 PHE A 829 -13.321 11.976 -28.713 1.00 16.28 C ATOM 1929 CD2 PHE A 829 -13.965 12.868 -26.592 1.00 13.26 C ATOM 1930 CE1 PHE A 829 -14.373 12.675 -29.323 1.00 17.84 C ATOM 1931 CE2 PHE A 829 -15.005 13.578 -27.204 1.00 16.59 C ATOM 1932 CZ PHE A 829 -15.200 13.479 -28.566 1.00 15.29 C ATOM 1933 H PHE A 829 -9.743 10.459 -25.673 1.00 0.00 H ATOM 1934 N GLY A 830 -10.718 13.430 -24.691 1.00 8.10 N ATOM 1935 CA GLY A 830 -10.843 14.623 -23.863 1.00 8.48 C ATOM 1936 C GLY A 830 -9.846 15.672 -24.278 1.00 12.47 C ATOM 1937 O GLY A 830 -10.202 16.838 -24.406 1.00 13.26 O ATOM 1938 H GLY A 830 -10.489 12.530 -24.224 1.00 0.00 H ATOM 1939 N VAL A 831 -8.607 15.238 -24.579 1.00 9.12 N ATOM 1940 CA VAL A 831 -7.504 16.109 -25.009 1.00 7.10 C ATOM 1941 C VAL A 831 -7.765 16.559 -26.461 1.00 11.93 C ATOM 1942 O VAL A 831 -7.411 17.682 -26.824 1.00 11.06 O ATOM 1943 CB VAL A 831 -6.125 15.403 -24.824 1.00 8.39 C ATOM 1944 CG1 VAL A 831 -4.972 16.288 -25.294 1.00 7.09 C ATOM 1945 CG2 VAL A 831 -5.905 14.981 -23.370 1.00 8.06 C ATOM 1946 H VAL A 831 -8.418 14.218 -24.502 1.00 0.00 H ATOM 1947 N THR A 832 -8.424 15.688 -27.271 1.00 8.72 N ATOM 1948 CA THR A 832 -8.751 15.952 -28.684 1.00 7.10 C ATOM 1949 C THR A 832 -9.862 16.988 -28.781 1.00 10.53 C ATOM 1950 O THR A 832 -9.814 17.837 -29.662 1.00 12.37 O ATOM 1951 CB THR A 832 -9.072 14.644 -29.416 1.00 13.15 C ATOM 1952 OG1 THR A 832 -7.942 13.771 -29.295 1.00 14.23 O ATOM 1953 CG2 THR A 832 -9.416 14.861 -30.898 1.00 11.90 C ATOM 1954 HG1 THR A 832 -7.767 13.590 -28.337 1.00 0.00 H ATOM 1955 H THR A 832 -8.717 14.775 -26.867 1.00 0.00 H ATOM 1956 N LEU A 833 -10.842 16.929 -27.872 1.00 6.02 N ATOM 1957 CA LEU A 833 -11.940 17.880 -27.757 1.00 5.95 C ATOM 1958 C LEU A 833 -11.339 19.258 -27.381 1.00 11.28 C ATOM 1959 O LEU A 833 -11.745 20.263 -27.945 1.00 12.28 O ATOM 1960 CB LEU A 833 -12.961 17.375 -26.691 1.00 6.40 C ATOM 1961 CG LEU A 833 -14.211 18.245 -26.405 1.00 10.14 C ATOM 1962 CD1 LEU A 833 -15.031 18.470 -27.663 1.00 10.92 C ATOM 1963 CD2 LEU A 833 -15.085 17.607 -25.359 1.00 10.39 C ATOM 1964 H LEU A 833 -10.818 16.141 -27.193 1.00 0.00 H ATOM 1965 N TRP A 834 -10.325 19.290 -26.499 1.00 9.43 N ATOM 1966 CA TRP A 834 -9.607 20.515 -26.104 1.00 9.61 C ATOM 1967 C TRP A 834 -8.961 21.141 -27.346 1.00 12.52 C ATOM 1968 O TRP A 834 -9.089 22.348 -27.537 1.00 12.17 O ATOM 1969 CB TRP A 834 -8.520 20.210 -25.050 1.00 8.53 C ATOM 1970 CG TRP A 834 -7.768 21.413 -24.546 1.00 9.96 C ATOM 1971 CD1 TRP A 834 -8.120 22.220 -23.505 1.00 13.08 C ATOM 1972 CD2 TRP A 834 -6.533 21.934 -25.054 1.00 9.95 C ATOM 1973 NE1 TRP A 834 -7.179 23.204 -23.327 1.00 12.42 N ATOM 1974 CE2 TRP A 834 -6.182 23.042 -24.249 1.00 13.39 C ATOM 1975 CE3 TRP A 834 -5.669 21.554 -26.096 1.00 11.70 C ATOM 1976 CZ2 TRP A 834 -5.033 23.803 -24.477 1.00 12.27 C ATOM 1977 CZ3 TRP A 834 -4.512 22.287 -26.299 1.00 13.34 C ATOM 1978 CH2 TRP A 834 -4.199 23.392 -25.488 1.00 13.75 C ATOM 1979 HE1 TRP A 834 -7.218 23.953 -22.606 1.00 0.00 H ATOM 1980 H TRP A 834 -10.028 18.392 -26.067 1.00 0.00 H ATOM 1981 N GLU A 835 -8.309 20.315 -28.200 1.00 6.89 N ATOM 1982 CA GLU A 835 -7.649 20.778 -29.436 1.00 5.82 C ATOM 1983 C GLU A 835 -8.668 21.370 -30.400 1.00 10.62 C ATOM 1984 O GLU A 835 -8.390 22.401 -31.014 1.00 10.23 O ATOM 1985 CB GLU A 835 -6.921 19.625 -30.147 1.00 6.33 C ATOM 1986 CG GLU A 835 -5.784 18.967 -29.389 1.00 7.63 C ATOM 1987 CD GLU A 835 -5.116 17.951 -30.294 1.00 29.10 C ATOM 1988 OE1 GLU A 835 -5.519 16.768 -30.263 1.00 14.98 O ATOM 1989 OE2 GLU A 835 -4.263 18.360 -31.112 1.00 22.95 O ATOM 1990 H GLU A 835 -8.272 19.301 -27.972 1.00 0.00 H ATOM 1991 N VAL A 836 -9.846 20.713 -30.533 1.00 9.13 N ATOM 1992 CA VAL A 836 -10.932 21.163 -31.416 1.00 10.08 C ATOM 1993 C VAL A 836 -11.385 22.533 -30.940 1.00 14.58 C ATOM 1994 O VAL A 836 -11.341 23.477 -31.712 1.00 14.15 O ATOM 1995 CB VAL A 836 -12.102 20.140 -31.518 1.00 13.60 C ATOM 1996 CG1 VAL A 836 -13.273 20.711 -32.327 1.00 13.13 C ATOM 1997 CG2 VAL A 836 -11.625 18.829 -32.133 1.00 13.05 C ATOM 1998 H VAL A 836 -9.989 19.844 -29.981 1.00 0.00 H ATOM 1999 N LEU A 837 -11.640 22.665 -29.626 1.00 12.87 N ATOM 2000 CA LEU A 837 -12.114 23.907 -29.005 1.00 13.29 C ATOM 2001 C LEU A 837 -11.096 25.039 -29.015 1.00 16.23 C ATOM 2002 O LEU A 837 -11.485 26.208 -29.005 1.00 15.53 O ATOM 2003 CB LEU A 837 -12.648 23.639 -27.592 1.00 13.36 C ATOM 2004 CG LEU A 837 -14.169 23.371 -27.517 1.00 18.41 C ATOM 2005 CD1 LEU A 837 -14.990 24.472 -28.189 1.00 18.64 C ATOM 2006 CD2 LEU A 837 -14.531 22.038 -28.086 1.00 22.77 C ATOM 2007 H LEU A 837 -11.492 21.837 -29.014 1.00 0.00 H ATOM 2008 N MET A 838 -9.804 24.684 -29.100 1.00 11.73 N ATOM 2009 CA MET A 838 -8.704 25.623 -29.222 1.00 10.25 C ATOM 2010 C MET A 838 -8.426 25.904 -30.712 1.00 16.67 C ATOM 2011 O MET A 838 -7.490 26.646 -31.003 1.00 16.63 O ATOM 2012 CB MET A 838 -7.428 25.039 -28.577 1.00 11.41 C ATOM 2013 CG MET A 838 -7.454 25.015 -27.066 1.00 14.31 C ATOM 2014 SD MET A 838 -7.412 26.659 -26.346 1.00 17.17 S ATOM 2015 CE MET A 838 -5.735 27.206 -26.885 1.00 12.77 C ATOM 2016 H MET A 838 -9.576 23.669 -29.077 1.00 0.00 H ATOM 2017 N LEU A 839 -9.176 25.265 -31.661 1.00 13.28 N ATOM 2018 CA LEU A 839 -8.918 25.398 -33.111 1.00 12.16 C ATOM 2019 C LEU A 839 -7.455 25.054 -33.445 1.00 15.85 C ATOM 2020 O LEU A 839 -6.840 25.639 -34.350 1.00 16.06 O ATOM 2021 CB LEU A 839 -9.341 26.761 -33.686 1.00 11.98 C ATOM 2022 CG LEU A 839 -10.841 26.951 -33.958 1.00 16.93 C ATOM 2023 CD1 LEU A 839 -11.581 27.291 -32.696 1.00 16.58 C ATOM 2024 CD2 LEU A 839 -11.073 28.085 -34.984 1.00 15.79 C ATOM 2025 H LEU A 839 -9.962 24.659 -31.349 1.00 0.00 H ATOM 2026 N CYS A 840 -6.910 24.077 -32.688 1.00 11.66 N ATOM 2027 CA CYS A 840 -5.567 23.516 -32.821 1.00 12.01 C ATOM 2028 C CYS A 840 -4.471 24.568 -32.804 1.00 17.82 C ATOM 2029 O CYS A 840 -3.441 24.400 -33.461 1.00 19.35 O ATOM 2030 CB CYS A 840 -5.480 22.616 -34.049 1.00 12.09 C ATOM 2031 SG CYS A 840 -6.647 21.239 -34.018 1.00 15.33 S ATOM 2032 H CYS A 840 -7.507 23.684 -31.933 1.00 0.00 H ATOM 2033 N ARG A 841 -4.681 25.635 -32.002 1.00 13.67 N ATOM 2034 CA ARG A 841 -3.766 26.757 -31.852 1.00 13.28 C ATOM 2035 C ARG A 841 -2.601 26.519 -30.912 1.00 19.30 C ATOM 2036 O ARG A 841 -1.587 27.215 -31.002 1.00 20.41 O ATOM 2037 CB ARG A 841 -4.527 28.021 -31.426 1.00 10.42 C ATOM 2038 CG ARG A 841 -5.448 28.626 -32.495 1.00 13.42 C ATOM 2039 CD ARG A 841 -4.740 29.070 -33.754 1.00 16.74 C ATOM 2040 NE ARG A 841 -5.586 29.946 -34.570 1.00 7.99 N ATOM 2041 CZ ARG A 841 -6.420 29.541 -35.521 1.00 22.02 C ATOM 2042 NH1 ARG A 841 -6.549 28.247 -35.798 1.00 17.33 N ATOM 2043 NH2 ARG A 841 -7.152 30.424 -36.188 1.00 8.43 N ATOM 2044 HE ARG A 841 -5.528 30.969 -34.389 1.00 0.00 H ATOM 2045 HH12 ARG A 841 -7.204 27.938 -36.544 1.00 0.00 H ATOM 2046 HH11 ARG A 841 -5.995 27.544 -35.269 1.00 0.00 H ATOM 2047 HH22 ARG A 841 -7.804 30.103 -36.932 1.00 0.00 H ATOM 2048 HH21 ARG A 841 -7.074 31.437 -35.967 1.00 0.00 H ATOM 2049 H ARG A 841 -5.563 25.656 -31.451 1.00 0.00 H ATOM 2050 N ALA A 842 -2.753 25.586 -29.978 1.00 14.95 N ATOM 2051 CA ALA A 842 -1.731 25.312 -28.992 1.00 13.34 C ATOM 2052 C ALA A 842 -1.586 23.860 -28.754 1.00 15.93 C ATOM 2053 O ALA A 842 -2.546 23.084 -28.921 1.00 14.27 O ATOM 2054 CB ALA A 842 -2.078 25.993 -27.678 1.00 14.33 C ATOM 2055 H ALA A 842 -3.635 25.035 -29.955 1.00 0.00 H ATOM 2056 N GLN A 843 -0.382 23.494 -28.294 1.00 11.22 N ATOM 2057 CA GLN A 843 -0.082 22.147 -27.897 1.00 11.10 C ATOM 2058 C GLN A 843 -0.670 21.943 -26.487 1.00 17.84 C ATOM 2059 O GLN A 843 -0.460 22.813 -25.626 1.00 19.13 O ATOM 2060 CB GLN A 843 1.437 21.922 -27.872 1.00 11.44 C ATOM 2061 CG GLN A 843 1.787 20.469 -27.552 1.00 12.89 C ATOM 2062 CD GLN A 843 3.263 20.182 -27.516 1.00 13.09 C ATOM 2063 OE1 GLN A 843 3.718 19.215 -28.095 1.00 7.67 O ATOM 2064 NE2 GLN A 843 4.021 20.933 -26.752 1.00 3.91 N ATOM 2065 HE22 GLN A 843 3.614 21.757 -26.264 1.00 0.00 H ATOM 2066 HE21 GLN A 843 5.029 20.705 -26.634 1.00 0.00 H ATOM 2067 H GLN A 843 0.365 24.214 -28.222 1.00 0.00 H ATOM 2068 N PRO A 844 -1.342 20.794 -26.200 1.00 13.52 N ATOM 2069 CA PRO A 844 -1.821 20.546 -24.826 1.00 12.81 C ATOM 2070 C PRO A 844 -0.670 20.645 -23.828 1.00 15.21 C ATOM 2071 O PRO A 844 0.395 20.070 -24.085 1.00 13.67 O ATOM 2072 CB PRO A 844 -2.367 19.113 -24.901 1.00 14.90 C ATOM 2073 CG PRO A 844 -2.731 18.936 -26.344 1.00 19.18 C ATOM 2074 CD PRO A 844 -1.668 19.661 -27.090 1.00 14.83 C ATOM 2075 N PHE A 845 -0.858 21.416 -22.720 1.00 11.60 N ATOM 2076 CA PHE A 845 0.159 21.649 -21.681 1.00 12.28 C ATOM 2077 C PHE A 845 1.451 22.255 -22.281 1.00 19.78 C ATOM 2078 O PHE A 845 2.550 21.946 -21.810 1.00 19.08 O ATOM 2079 CB PHE A 845 0.508 20.338 -20.934 1.00 13.89 C ATOM 2080 CG PHE A 845 -0.512 19.827 -19.960 1.00 16.04 C ATOM 2081 CD1 PHE A 845 -1.008 20.647 -18.949 1.00 20.53 C ATOM 2082 CD2 PHE A 845 -0.931 18.508 -20.002 1.00 19.17 C ATOM 2083 CE1 PHE A 845 -1.949 20.168 -18.036 1.00 21.33 C ATOM 2084 CE2 PHE A 845 -1.879 18.032 -19.096 1.00 22.62 C ATOM 2085 CZ PHE A 845 -2.370 18.859 -18.113 1.00 21.07 C ATOM 2086 H PHE A 845 -1.785 21.872 -22.600 1.00 0.00 H ATOM 2087 N GLY A 846 1.291 23.080 -23.319 1.00 18.29 N ATOM 2088 CA GLY A 846 2.375 23.713 -24.067 1.00 18.88 C ATOM 2089 C GLY A 846 3.406 24.452 -23.246 1.00 23.97 C ATOM 2090 O GLY A 846 4.573 24.492 -23.625 1.00 24.35 O ATOM 2091 H GLY A 846 0.317 23.289 -23.619 1.00 0.00 H ATOM 2092 N GLN A 847 2.987 25.040 -22.116 1.00 20.23 N ATOM 2093 CA GLN A 847 3.891 25.771 -21.221 1.00 18.81 C ATOM 2094 C GLN A 847 4.701 24.843 -20.320 1.00 19.15 C ATOM 2095 O GLN A 847 5.655 25.302 -19.685 1.00 19.74 O ATOM 2096 CB GLN A 847 3.121 26.797 -20.379 1.00 19.91 C ATOM 2097 CG GLN A 847 2.569 27.965 -21.186 1.00 29.92 C ATOM 2098 CD GLN A 847 1.304 28.479 -20.551 1.00 48.77 C ATOM 2099 OE1 GLN A 847 0.283 27.775 -20.474 1.00 43.05 O ATOM 2100 NE2 GLN A 847 1.351 29.710 -20.060 1.00 38.15 N ATOM 2101 HE22 GLN A 847 2.223 30.270 -20.143 1.00 0.00 H ATOM 2102 HE21 GLN A 847 0.515 30.115 -19.592 1.00 0.00 H ATOM 2103 H GLN A 847 1.980 24.975 -21.864 1.00 0.00 H ATOM 2104 N LEU A 848 4.324 23.552 -20.263 1.00 13.00 N ATOM 2105 CA LEU A 848 4.991 22.514 -19.456 1.00 12.30 C ATOM 2106 C LEU A 848 5.854 21.612 -20.300 1.00 13.17 C ATOM 2107 O LEU A 848 5.423 21.193 -21.384 1.00 10.23 O ATOM 2108 CB LEU A 848 3.978 21.641 -18.688 1.00 12.41 C ATOM 2109 CG LEU A 848 2.936 22.348 -17.816 1.00 16.01 C ATOM 2110 CD1 LEU A 848 2.090 21.320 -17.059 1.00 15.18 C ATOM 2111 CD2 LEU A 848 3.593 23.337 -16.844 1.00 16.96 C ATOM 2112 H LEU A 848 3.501 23.265 -20.830 1.00 0.00 H ATOM 2113 N THR A 849 7.063 21.263 -19.777 1.00 9.51 N ATOM 2114 CA THR A 849 8.003 20.381 -20.476 1.00 9.17 C ATOM 2115 C THR A 849 7.472 18.950 -20.547 1.00 12.53 C ATOM 2116 O THR A 849 6.496 18.615 -19.871 1.00 11.57 O ATOM 2117 CB THR A 849 9.419 20.423 -19.845 1.00 17.44 C ATOM 2118 OG1 THR A 849 9.399 19.778 -18.580 1.00 22.24 O ATOM 2119 CG2 THR A 849 9.981 21.833 -19.718 1.00 12.22 C ATOM 2120 HG1 THR A 849 10.305 19.807 -18.181 1.00 0.00 H ATOM 2121 H THR A 849 7.330 21.637 -18.844 1.00 0.00 H ATOM 2122 N ASP A 850 8.120 18.096 -21.351 1.00 10.44 N ATOM 2123 CA ASP A 850 7.744 16.683 -21.457 1.00 10.59 C ATOM 2124 C ASP A 850 7.877 16.002 -20.085 1.00 15.98 C ATOM 2125 O ASP A 850 6.934 15.356 -19.634 1.00 15.96 O ATOM 2126 CB ASP A 850 8.577 15.978 -22.526 1.00 11.82 C ATOM 2127 CG ASP A 850 8.219 16.396 -23.930 1.00 15.34 C ATOM 2128 OD1 ASP A 850 7.041 16.746 -24.159 1.00 18.75 O ATOM 2129 OD2 ASP A 850 9.118 16.342 -24.820 1.00 9.80 O ATOM 2130 H ASP A 850 8.917 18.448 -21.919 1.00 0.00 H ATOM 2131 N GLU A 851 8.997 16.267 -19.386 1.00 12.21 N ATOM 2132 CA GLU A 851 9.312 15.787 -18.031 1.00 11.99 C ATOM 2133 C GLU A 851 8.229 16.175 -17.030 1.00 14.45 C ATOM 2134 O GLU A 851 7.922 15.355 -16.178 1.00 14.35 O ATOM 2135 CB GLU A 851 10.685 16.315 -17.556 1.00 13.16 C ATOM 2136 CG GLU A 851 11.876 15.692 -18.275 1.00 27.26 C ATOM 2137 CD GLU A 851 12.103 16.048 -19.737 1.00 49.78 C ATOM 2138 OE1 GLU A 851 11.509 17.037 -20.229 1.00 30.07 O ATOM 2139 OE2 GLU A 851 12.888 15.327 -20.393 1.00 53.19 O ATOM 2140 H GLU A 851 9.708 16.869 -19.848 1.00 0.00 H ATOM 2141 N GLN A 852 7.634 17.399 -17.152 1.00 10.13 N ATOM 2142 CA GLN A 852 6.557 17.898 -16.275 1.00 9.54 C ATOM 2143 C GLN A 852 5.204 17.272 -16.615 1.00 14.12 C ATOM 2144 O GLN A 852 4.340 17.203 -15.738 1.00 14.81 O ATOM 2145 CB GLN A 852 6.454 19.439 -16.308 1.00 10.94 C ATOM 2146 CG GLN A 852 7.651 20.190 -15.688 1.00 10.84 C ATOM 2147 CD GLN A 852 7.588 21.686 -15.878 1.00 16.32 C ATOM 2148 OE1 GLN A 852 7.203 22.190 -16.928 1.00 14.48 O ATOM 2149 NE2 GLN A 852 7.980 22.443 -14.865 1.00 12.45 N ATOM 2150 HE22 GLN A 852 8.304 22.002 -13.981 1.00 0.00 H ATOM 2151 HE21 GLN A 852 7.964 23.479 -14.953 1.00 0.00 H ATOM 2152 H GLN A 852 7.963 18.023 -17.916 1.00 0.00 H ATOM 2153 N VAL A 853 5.003 16.831 -17.878 1.00 10.18 N ATOM 2154 CA VAL A 853 3.759 16.155 -18.285 1.00 10.23 C ATOM 2155 C VAL A 853 3.768 14.720 -17.685 1.00 12.74 C ATOM 2156 O VAL A 853 2.728 14.255 -17.214 1.00 8.40 O ATOM 2157 CB VAL A 853 3.520 16.200 -19.824 1.00 14.18 C ATOM 2158 CG1 VAL A 853 2.394 15.257 -20.270 1.00 13.79 C ATOM 2159 CG2 VAL A 853 3.250 17.631 -20.301 1.00 13.76 C ATOM 2160 H VAL A 853 5.752 16.974 -18.585 1.00 0.00 H ATOM 2161 N ILE A 854 4.972 14.058 -17.653 1.00 11.83 N ATOM 2162 CA ILE A 854 5.177 12.720 -17.073 1.00 12.06 C ATOM 2163 C ILE A 854 5.035 12.807 -15.551 1.00 17.69 C ATOM 2164 O ILE A 854 4.288 12.019 -14.973 1.00 19.47 O ATOM 2165 CB ILE A 854 6.537 12.102 -17.500 1.00 15.68 C ATOM 2166 CG1 ILE A 854 6.552 11.772 -18.995 1.00 16.19 C ATOM 2167 CG2 ILE A 854 6.946 10.868 -16.629 1.00 14.56 C ATOM 2168 CD1 ILE A 854 7.843 12.044 -19.574 1.00 26.29 C ATOM 2169 H ILE A 854 5.797 14.536 -18.068 1.00 0.00 H ATOM 2170 N GLU A 855 5.718 13.781 -14.912 1.00 13.95 N ATOM 2171 CA GLU A 855 5.656 14.039 -13.467 1.00 13.35 C ATOM 2172 C GLU A 855 4.186 14.326 -13.035 1.00 16.20 C ATOM 2173 O GLU A 855 3.785 13.962 -11.925 1.00 14.84 O ATOM 2174 CB GLU A 855 6.633 15.174 -13.101 1.00 14.89 C ATOM 2175 CG GLU A 855 6.146 16.217 -12.096 1.00 26.45 C ATOM 2176 CD GLU A 855 6.549 17.641 -12.459 1.00 57.73 C ATOM 2177 OE1 GLU A 855 5.659 18.443 -12.830 1.00 40.10 O ATOM 2178 OE2 GLU A 855 7.764 17.945 -12.400 1.00 54.37 O ATOM 2179 H GLU A 855 6.333 14.393 -15.485 1.00 0.00 H ATOM 2180 N ASN A 856 3.381 14.919 -13.941 1.00 11.85 N ATOM 2181 CA ASN A 856 1.966 15.197 -13.666 1.00 11.22 C ATOM 2182 C ASN A 856 1.168 13.904 -13.536 1.00 16.52 C ATOM 2183 O ASN A 856 0.289 13.847 -12.694 1.00 16.77 O ATOM 2184 CB ASN A 856 1.355 16.144 -14.695 1.00 6.00 C ATOM 2185 CG ASN A 856 -0.087 16.512 -14.415 1.00 20.43 C ATOM 2186 OD1 ASN A 856 -0.464 16.779 -13.294 1.00 19.25 O ATOM 2187 ND2 ASN A 856 -0.928 16.538 -15.430 1.00 11.46 N ATOM 2188 HD22 ASN A 856 -0.594 16.307 -16.388 1.00 0.00 H ATOM 2189 HD21 ASN A 856 -1.925 16.789 -15.273 1.00 0.00 H ATOM 2190 H ASN A 856 3.776 15.188 -14.865 1.00 0.00 H ATOM 2191 N ALA A 857 1.487 12.862 -14.343 1.00 14.52 N ATOM 2192 CA ALA A 857 0.813 11.554 -14.288 1.00 13.91 C ATOM 2193 C ALA A 857 1.093 10.821 -12.930 1.00 16.87 C ATOM 2194 O ALA A 857 0.243 10.087 -12.431 1.00 15.55 O ATOM 2195 CB ALA A 857 1.227 10.694 -15.475 1.00 14.15 C ATOM 2196 H ALA A 857 2.249 12.994 -15.038 1.00 0.00 H ATOM 2197 N GLY A 858 2.258 11.073 -12.344 1.00 12.56 N ATOM 2198 CA GLY A 858 2.625 10.535 -11.039 1.00 11.68 C ATOM 2199 C GLY A 858 1.795 11.196 -9.959 1.00 14.32 C ATOM 2200 O GLY A 858 1.470 10.570 -8.947 1.00 13.81 O ATOM 2201 H GLY A 858 2.940 11.682 -12.839 1.00 0.00 H ATOM 2202 N GLU A 859 1.408 12.471 -10.199 1.00 10.11 N ATOM 2203 CA GLU A 859 0.551 13.242 -9.310 1.00 10.06 C ATOM 2204 C GLU A 859 -0.901 12.766 -9.427 1.00 15.41 C ATOM 2205 O GLU A 859 -1.635 12.828 -8.446 1.00 17.28 O ATOM 2206 CB GLU A 859 0.700 14.759 -9.525 1.00 11.14 C ATOM 2207 CG GLU A 859 2.040 15.299 -9.047 1.00 17.12 C ATOM 2208 CD GLU A 859 2.233 15.443 -7.547 1.00 36.99 C ATOM 2209 OE1 GLU A 859 1.293 15.134 -6.777 1.00 24.20 O ATOM 2210 OE2 GLU A 859 3.337 15.876 -7.141 1.00 34.94 O ATOM 2211 H GLU A 859 1.743 12.927 -11.071 1.00 0.00 H ATOM 2212 N PHE A 860 -1.299 12.214 -10.587 1.00 11.62 N ATOM 2213 CA PHE A 860 -2.637 11.619 -10.710 1.00 11.47 C ATOM 2214 C PHE A 860 -2.663 10.289 -9.935 1.00 16.02 C ATOM 2215 O PHE A 860 -3.692 9.931 -9.373 1.00 13.91 O ATOM 2216 CB PHE A 860 -3.012 11.385 -12.175 1.00 12.07 C ATOM 2217 CG PHE A 860 -3.758 12.522 -12.835 1.00 11.61 C ATOM 2218 CD1 PHE A 860 -5.140 12.625 -12.724 1.00 14.17 C ATOM 2219 CD2 PHE A 860 -3.086 13.442 -13.635 1.00 11.89 C ATOM 2220 CE1 PHE A 860 -5.831 13.672 -13.343 1.00 14.81 C ATOM 2221 CE2 PHE A 860 -3.776 14.476 -14.270 1.00 14.90 C ATOM 2222 CZ PHE A 860 -5.141 14.595 -14.111 1.00 13.12 C ATOM 2223 H PHE A 860 -0.655 12.208 -11.403 1.00 0.00 H ATOM 2224 N PHE A 861 -1.514 9.574 -9.900 1.00 15.17 N ATOM 2225 CA PHE A 861 -1.346 8.319 -9.166 1.00 16.17 C ATOM 2226 C PHE A 861 -1.366 8.561 -7.649 1.00 24.15 C ATOM 2227 O PHE A 861 -2.073 7.852 -6.939 1.00 23.97 O ATOM 2228 CB PHE A 861 -0.076 7.567 -9.603 1.00 17.73 C ATOM 2229 CG PHE A 861 0.252 6.370 -8.737 1.00 20.27 C ATOM 2230 CD1 PHE A 861 -0.657 5.321 -8.594 1.00 22.58 C ATOM 2231 CD2 PHE A 861 1.469 6.286 -8.071 1.00 23.54 C ATOM 2232 CE1 PHE A 861 -0.378 4.242 -7.758 1.00 23.97 C ATOM 2233 CE2 PHE A 861 1.756 5.194 -7.243 1.00 27.04 C ATOM 2234 CZ PHE A 861 0.830 4.176 -7.094 1.00 24.96 C ATOM 2235 H PHE A 861 -0.697 9.940 -10.429 1.00 0.00 H ATOM 2236 N ARG A 862 -0.616 9.569 -7.157 1.00 23.65 N ATOM 2237 CA ARG A 862 -0.572 9.891 -5.723 1.00 24.08 C ATOM 2238 C ARG A 862 -1.925 10.408 -5.203 1.00 29.59 C ATOM 2239 O ARG A 862 -2.264 10.136 -4.054 1.00 30.77 O ATOM 2240 CB ARG A 862 0.586 10.836 -5.389 1.00 22.68 C ATOM 2241 CG ARG A 862 1.951 10.195 -5.655 1.00 30.71 C ATOM 2242 CD ARG A 862 3.127 11.106 -5.331 1.00 33.58 C ATOM 2243 NE ARG A 862 3.477 11.993 -6.442 1.00 42.47 N ATOM 2244 CZ ARG A 862 4.308 11.671 -7.433 1.00 65.18 C ATOM 2245 NH1 ARG A 862 4.877 10.471 -7.472 1.00 55.26 N ATOM 2246 NH2 ARG A 862 4.562 12.541 -8.402 1.00 54.88 N ATOM 2247 HE ARG A 862 3.047 12.940 -6.459 1.00 0.00 H ATOM 2248 HH12 ARG A 862 5.524 10.227 -8.249 1.00 0.00 H ATOM 2249 HH11 ARG A 862 4.675 9.775 -6.726 1.00 0.00 H ATOM 2250 HH22 ARG A 862 5.211 12.285 -9.173 1.00 0.00 H ATOM 2251 HH21 ARG A 862 4.112 13.479 -8.390 1.00 0.00 H ATOM 2252 H ARG A 862 -0.048 10.139 -7.816 1.00 0.00 H ATOM 2253 N ASP A 863 -2.720 11.080 -6.068 1.00 25.92 N ATOM 2254 CA ASP A 863 -4.063 11.597 -5.770 1.00 25.42 C ATOM 2255 C ASP A 863 -4.072 12.491 -4.492 1.00 29.08 C ATOM 2256 O ASP A 863 -4.960 12.370 -3.633 1.00 28.83 O ATOM 2257 CB ASP A 863 -5.058 10.413 -5.695 1.00 27.25 C ATOM 2258 CG ASP A 863 -6.533 10.732 -5.846 1.00 35.14 C ATOM 2259 OD1 ASP A 863 -6.859 11.796 -6.426 1.00 35.49 O ATOM 2260 OD2 ASP A 863 -7.361 9.867 -5.486 1.00 38.53 O ATOM 2261 H ASP A 863 -2.349 11.245 -7.025 1.00 0.00 H ATOM 2262 N GLN A 864 -3.056 13.387 -4.381 1.00 23.72 N ATOM 2263 CA GLN A 864 -2.901 14.320 -3.261 1.00 22.83 C ATOM 2264 C GLN A 864 -3.411 15.724 -3.614 1.00 25.78 C ATOM 2265 O GLN A 864 -3.007 16.701 -2.990 1.00 25.84 O ATOM 2266 CB GLN A 864 -1.431 14.366 -2.769 1.00 23.90 C ATOM 2267 CG GLN A 864 -0.939 13.085 -2.078 1.00 40.63 C ATOM 2268 CD GLN A 864 -1.886 12.557 -1.018 1.00 67.89 C ATOM 2269 OE1 GLN A 864 -2.114 13.182 0.023 1.00 67.62 O ATOM 2270 NE2 GLN A 864 -2.475 11.397 -1.273 1.00 59.29 N ATOM 2271 HE22 GLN A 864 -2.266 10.891 -2.157 1.00 0.00 H ATOM 2272 HE21 GLN A 864 -3.146 10.993 -0.589 1.00 0.00 H ATOM 2273 H GLN A 864 -2.344 13.412 -5.138 1.00 0.00 H ATOM 2274 N GLY A 865 -4.272 15.813 -4.623 1.00 22.05 N ATOM 2275 CA GLY A 865 -4.838 17.078 -5.088 1.00 20.97 C ATOM 2276 C GLY A 865 -3.884 18.021 -5.802 1.00 21.32 C ATOM 2277 O GLY A 865 -4.289 19.134 -6.153 1.00 21.33 O ATOM 2278 H GLY A 865 -4.558 14.938 -5.106 1.00 0.00 H ATOM 2279 N ARG A 866 -2.633 17.578 -6.070 1.00 14.37 N ATOM 2280 CA ARG A 866 -1.620 18.378 -6.759 1.00 14.41 C ATOM 2281 C ARG A 866 -1.547 18.170 -8.290 1.00 19.36 C ATOM 2282 O ARG A 866 -0.712 18.830 -8.941 1.00 19.59 O ATOM 2283 CB ARG A 866 -0.242 18.146 -6.143 1.00 15.35 C ATOM 2284 CG ARG A 866 0.366 19.389 -5.546 1.00 29.13 C ATOM 2285 CD ARG A 866 0.461 19.312 -4.041 1.00 38.08 C ATOM 2286 NE ARG A 866 1.195 18.131 -3.587 1.00 42.83 N ATOM 2287 CZ ARG A 866 0.816 17.363 -2.570 1.00 53.18 C ATOM 2288 NH1 ARG A 866 1.538 16.305 -2.225 1.00 47.50 N ATOM 2289 NH2 ARG A 866 -0.286 17.650 -1.887 1.00 23.69 N ATOM 2290 HE ARG A 866 2.068 17.876 -4.091 1.00 0.00 H ATOM 2291 HH12 ARG A 866 1.237 15.707 -1.429 1.00 0.00 H ATOM 2292 HH11 ARG A 866 2.405 16.073 -2.751 1.00 0.00 H ATOM 2293 HH22 ARG A 866 -0.578 17.046 -1.092 1.00 0.00 H ATOM 2294 HH21 ARG A 866 -0.858 18.479 -2.147 1.00 0.00 H ATOM 2295 H ARG A 866 -2.378 16.616 -5.769 1.00 0.00 H ATOM 2296 N GLN A 867 -2.379 17.250 -8.866 1.00 14.65 N ATOM 2297 CA GLN A 867 -2.375 16.974 -10.324 1.00 13.97 C ATOM 2298 C GLN A 867 -2.955 18.155 -11.072 1.00 16.13 C ATOM 2299 O GLN A 867 -3.763 18.882 -10.488 1.00 16.38 O ATOM 2300 CB GLN A 867 -3.132 15.683 -10.683 1.00 15.03 C ATOM 2301 CG GLN A 867 -4.626 15.689 -10.344 1.00 23.02 C ATOM 2302 CD GLN A 867 -4.925 15.157 -8.960 1.00 38.04 C ATOM 2303 OE1 GLN A 867 -4.126 15.250 -8.011 1.00 23.94 O ATOM 2304 NE2 GLN A 867 -6.106 14.595 -8.816 1.00 38.20 N ATOM 2305 HE22 GLN A 867 -6.754 14.531 -9.627 1.00 0.00 H ATOM 2306 HE21 GLN A 867 -6.392 14.215 -7.891 1.00 0.00 H ATOM 2307 H GLN A 867 -3.040 16.724 -8.259 1.00 0.00 H ATOM 2308 N VAL A 868 -2.559 18.351 -12.349 1.00 9.50 N ATOM 2309 CA VAL A 868 -3.029 19.484 -13.144 1.00 8.73 C ATOM 2310 C VAL A 868 -3.769 19.038 -14.441 1.00 13.65 C ATOM 2311 O VAL A 868 -3.490 17.996 -15.023 1.00 13.26 O ATOM 2312 CB VAL A 868 -1.913 20.539 -13.419 1.00 11.45 C ATOM 2313 CG1 VAL A 868 -1.369 21.121 -12.119 1.00 10.30 C ATOM 2314 CG2 VAL A 868 -0.787 19.979 -14.282 1.00 10.89 C ATOM 2315 H VAL A 868 -1.898 17.674 -12.780 1.00 0.00 H ATOM 2316 N TYR A 869 -4.737 19.843 -14.847 1.00 10.94 N ATOM 2317 CA TYR A 869 -5.616 19.628 -15.987 1.00 9.90 C ATOM 2318 C TYR A 869 -5.397 20.694 -17.037 1.00 13.02 C ATOM 2319 O TYR A 869 -5.020 21.820 -16.718 1.00 10.78 O ATOM 2320 CB TYR A 869 -7.098 19.669 -15.533 1.00 11.75 C ATOM 2321 CG TYR A 869 -7.434 18.649 -14.460 1.00 15.71 C ATOM 2322 CD1 TYR A 869 -7.856 17.367 -14.796 1.00 17.91 C ATOM 2323 CD2 TYR A 869 -7.262 18.946 -13.110 1.00 17.05 C ATOM 2324 CE1 TYR A 869 -8.138 16.413 -13.812 1.00 18.04 C ATOM 2325 CE2 TYR A 869 -7.521 17.997 -12.122 1.00 17.99 C ATOM 2326 CZ TYR A 869 -7.941 16.724 -12.478 1.00 22.84 C ATOM 2327 OH TYR A 869 -8.142 15.773 -11.501 1.00 18.17 O ATOM 2328 HH TYR A 869 -8.438 14.927 -11.922 1.00 0.00 H ATOM 2329 H TYR A 869 -4.884 20.714 -14.298 1.00 0.00 H ATOM 2330 N LEU A 870 -5.742 20.370 -18.291 1.00 9.98 N ATOM 2331 CA LEU A 870 -5.719 21.340 -19.370 1.00 8.33 C ATOM 2332 C LEU A 870 -6.683 22.487 -19.005 1.00 12.44 C ATOM 2333 O LEU A 870 -7.687 22.239 -18.351 1.00 9.28 O ATOM 2334 CB LEU A 870 -6.137 20.638 -20.677 1.00 7.48 C ATOM 2335 CG LEU A 870 -5.120 19.600 -21.233 1.00 10.93 C ATOM 2336 CD1 LEU A 870 -5.643 18.934 -22.498 1.00 9.19 C ATOM 2337 CD2 LEU A 870 -3.794 20.254 -21.538 1.00 14.37 C ATOM 2338 H LEU A 870 -6.035 19.394 -18.497 1.00 0.00 H ATOM 2339 N SER A 871 -6.334 23.733 -19.329 1.00 12.25 N ATOM 2340 CA SER A 871 -7.191 24.870 -18.996 1.00 13.35 C ATOM 2341 C SER A 871 -8.348 24.981 -19.987 1.00 17.90 C ATOM 2342 O SER A 871 -8.199 24.584 -21.138 1.00 16.80 O ATOM 2343 CB SER A 871 -6.383 26.159 -18.985 1.00 17.50 C ATOM 2344 OG SER A 871 -5.514 26.174 -17.867 1.00 25.78 O ATOM 2345 HG SER A 871 -4.992 27.015 -17.867 1.00 0.00 H ATOM 2346 H SER A 871 -5.436 23.899 -19.827 1.00 0.00 H ATOM 2347 N ARG A 872 -9.500 25.515 -19.531 1.00 14.91 N ATOM 2348 CA ARG A 872 -10.705 25.691 -20.337 1.00 13.95 C ATOM 2349 C ARG A 872 -10.439 26.588 -21.552 1.00 15.73 C ATOM 2350 O ARG A 872 -10.064 27.748 -21.372 1.00 14.15 O ATOM 2351 CB ARG A 872 -11.861 26.236 -19.470 1.00 14.36 C ATOM 2352 CG ARG A 872 -13.197 26.403 -20.222 1.00 20.64 C ATOM 2353 CD ARG A 872 -14.286 27.060 -19.374 1.00 23.82 C ATOM 2354 NE ARG A 872 -13.914 28.396 -18.895 1.00 30.45 N ATOM 2355 CZ ARG A 872 -14.069 29.530 -19.580 1.00 46.98 C ATOM 2356 NH1 ARG A 872 -14.582 29.511 -20.808 1.00 21.10 N ATOM 2357 NH2 ARG A 872 -13.693 30.687 -19.052 1.00 39.14 N ATOM 2358 HE ARG A 872 -13.496 28.464 -17.945 1.00 0.00 H ATOM 2359 HH12 ARG A 872 -14.700 30.399 -21.336 1.00 0.00 H ATOM 2360 HH11 ARG A 872 -14.865 28.608 -21.239 1.00 0.00 H ATOM 2361 HH22 ARG A 872 -13.816 31.569 -19.590 1.00 0.00 H ATOM 2362 HH21 ARG A 872 -13.275 30.713 -18.100 1.00 0.00 H ATOM 2363 H ARG A 872 -9.532 25.822 -18.538 1.00 0.00 H ATOM 2364 N PRO A 873 -10.549 26.048 -22.795 1.00 12.93 N ATOM 2365 CA PRO A 873 -10.365 26.893 -23.989 1.00 12.55 C ATOM 2366 C PRO A 873 -11.282 28.131 -23.948 1.00 18.13 C ATOM 2367 O PRO A 873 -12.420 28.023 -23.449 1.00 17.34 O ATOM 2368 CB PRO A 873 -10.773 25.956 -25.136 1.00 14.06 C ATOM 2369 CG PRO A 873 -10.533 24.593 -24.607 1.00 18.35 C ATOM 2370 CD PRO A 873 -10.954 24.678 -23.181 1.00 14.35 C ATOM 2371 N PRO A 874 -10.816 29.313 -24.430 1.00 15.84 N ATOM 2372 CA PRO A 874 -11.659 30.528 -24.369 1.00 16.43 C ATOM 2373 C PRO A 874 -13.078 30.368 -24.903 1.00 21.22 C ATOM 2374 O PRO A 874 -14.031 30.803 -24.254 1.00 21.52 O ATOM 2375 CB PRO A 874 -10.842 31.560 -25.167 1.00 18.20 C ATOM 2376 CG PRO A 874 -9.432 31.136 -24.958 1.00 21.88 C ATOM 2377 CD PRO A 874 -9.496 29.623 -25.018 1.00 17.31 C ATOM 2378 N ALA A 875 -13.234 29.681 -26.035 1.00 17.98 N ATOM 2379 CA ALA A 875 -14.556 29.480 -26.620 1.00 17.76 C ATOM 2380 C ALA A 875 -15.337 28.323 -26.010 1.00 21.77 C ATOM 2381 O ALA A 875 -16.467 28.099 -26.429 1.00 23.42 O ATOM 2382 CB ALA A 875 -14.450 29.338 -28.128 1.00 18.61 C ATOM 2383 H ALA A 875 -12.399 29.281 -26.509 1.00 0.00 H ATOM 2384 N CYS A 876 -14.794 27.638 -24.966 1.00 17.07 N ATOM 2385 CA CYS A 876 -15.475 26.507 -24.334 1.00 15.10 C ATOM 2386 C CYS A 876 -16.351 26.910 -23.113 1.00 18.64 C ATOM 2387 O CYS A 876 -15.830 27.425 -22.117 1.00 16.39 O ATOM 2388 CB CYS A 876 -14.485 25.402 -23.983 1.00 15.37 C ATOM 2389 SG CYS A 876 -15.225 23.963 -23.157 1.00 19.42 S ATOM 2390 H CYS A 876 -13.863 27.929 -24.605 1.00 0.00 H ATOM 2391 N PRO A 877 -17.678 26.635 -23.153 1.00 14.96 N ATOM 2392 CA PRO A 877 -18.529 26.955 -21.999 1.00 15.11 C ATOM 2393 C PRO A 877 -18.205 26.043 -20.817 1.00 20.87 C ATOM 2394 O PRO A 877 -17.660 24.950 -21.022 1.00 23.17 O ATOM 2395 CB PRO A 877 -19.947 26.744 -22.526 1.00 16.60 C ATOM 2396 CG PRO A 877 -19.821 26.596 -24.005 1.00 22.24 C ATOM 2397 CD PRO A 877 -18.467 26.012 -24.230 1.00 17.91 C ATOM 2398 N GLN A 878 -18.499 26.480 -19.596 1.00 17.10 N ATOM 2399 CA GLN A 878 -18.152 25.701 -18.384 1.00 18.56 C ATOM 2400 C GLN A 878 -18.752 24.258 -18.396 1.00 23.97 C ATOM 2401 O GLN A 878 -18.033 23.311 -18.067 1.00 22.94 O ATOM 2402 CB GLN A 878 -18.493 26.496 -17.102 1.00 19.40 C ATOM 2403 CG GLN A 878 -18.272 25.775 -15.764 1.00 28.41 C ATOM 2404 CD GLN A 878 -16.843 25.424 -15.397 1.00 31.74 C ATOM 2405 OE1 GLN A 878 -15.855 26.015 -15.861 1.00 17.87 O ATOM 2406 NE2 GLN A 878 -16.714 24.458 -14.507 1.00 26.32 N ATOM 2407 HE22 GLN A 878 -17.558 23.979 -14.134 1.00 0.00 H ATOM 2408 HE21 GLN A 878 -15.768 24.176 -14.179 1.00 0.00 H ATOM 2409 H GLN A 878 -18.985 27.393 -19.489 1.00 0.00 H ATOM 2410 N GLY A 879 -20.000 24.113 -18.857 1.00 21.04 N ATOM 2411 CA GLY A 879 -20.677 22.820 -18.993 1.00 21.26 C ATOM 2412 C GLY A 879 -19.908 21.812 -19.837 1.00 23.76 C ATOM 2413 O GLY A 879 -19.691 20.673 -19.407 1.00 23.64 O ATOM 2414 H GLY A 879 -20.521 24.969 -19.135 1.00 0.00 H ATOM 2415 N LEU A 880 -19.441 22.247 -21.016 1.00 18.48 N ATOM 2416 CA LEU A 880 -18.627 21.447 -21.932 1.00 18.15 C ATOM 2417 C LEU A 880 -17.252 21.157 -21.306 1.00 19.41 C ATOM 2418 O LEU A 880 -16.720 20.069 -21.507 1.00 18.60 O ATOM 2419 CB LEU A 880 -18.457 22.160 -23.298 1.00 18.33 C ATOM 2420 CG LEU A 880 -17.733 21.397 -24.419 1.00 23.00 C ATOM 2421 CD1 LEU A 880 -18.428 20.056 -24.745 1.00 23.60 C ATOM 2422 CD2 LEU A 880 -17.657 22.214 -25.657 1.00 24.78 C ATOM 2423 H LEU A 880 -19.673 23.220 -21.299 1.00 0.00 H ATOM 2424 N TYR A 881 -16.690 22.119 -20.548 1.00 14.91 N ATOM 2425 CA TYR A 881 -15.394 21.936 -19.884 1.00 15.00 C ATOM 2426 C TYR A 881 -15.499 20.849 -18.820 1.00 21.06 C ATOM 2427 O TYR A 881 -14.576 20.041 -18.670 1.00 19.86 O ATOM 2428 CB TYR A 881 -14.870 23.246 -19.268 1.00 14.79 C ATOM 2429 CG TYR A 881 -13.498 23.131 -18.627 1.00 14.65 C ATOM 2430 CD1 TYR A 881 -12.415 22.619 -19.336 1.00 15.67 C ATOM 2431 CD2 TYR A 881 -13.266 23.608 -17.344 1.00 14.97 C ATOM 2432 CE1 TYR A 881 -11.150 22.529 -18.761 1.00 14.75 C ATOM 2433 CE2 TYR A 881 -12.001 23.542 -16.766 1.00 15.20 C ATOM 2434 CZ TYR A 881 -10.952 22.978 -17.471 1.00 17.32 C ATOM 2435 OH TYR A 881 -9.711 22.895 -16.898 1.00 10.41 O ATOM 2436 HH TYR A 881 -9.083 22.469 -17.534 1.00 0.00 H ATOM 2437 H TYR A 881 -17.192 23.022 -20.429 1.00 0.00 H ATOM 2438 N GLU A 882 -16.653 20.806 -18.117 1.00 18.83 N ATOM 2439 CA GLU A 882 -16.916 19.801 -17.093 1.00 18.26 C ATOM 2440 C GLU A 882 -16.901 18.389 -17.685 1.00 21.93 C ATOM 2441 O GLU A 882 -16.375 17.486 -17.042 1.00 21.30 O ATOM 2442 CB GLU A 882 -18.199 20.103 -16.314 1.00 19.29 C ATOM 2443 CG GLU A 882 -18.120 21.333 -15.411 1.00 23.45 C ATOM 2444 CD GLU A 882 -19.431 21.744 -14.761 1.00 41.79 C ATOM 2445 OE1 GLU A 882 -20.389 20.936 -14.771 1.00 31.92 O ATOM 2446 OE2 GLU A 882 -19.500 22.877 -14.232 1.00 39.10 O ATOM 2447 H GLU A 882 -17.384 21.519 -18.315 1.00 0.00 H ATOM 2448 N LEU A 883 -17.395 18.220 -18.936 1.00 19.41 N ATOM 2449 CA LEU A 883 -17.377 16.946 -19.681 1.00 18.76 C ATOM 2450 C LEU A 883 -15.925 16.523 -19.961 1.00 22.88 C ATOM 2451 O LEU A 883 -15.594 15.347 -19.794 1.00 23.18 O ATOM 2452 CB LEU A 883 -18.151 17.099 -21.001 1.00 19.13 C ATOM 2453 CG LEU A 883 -18.430 15.841 -21.842 1.00 25.16 C ATOM 2454 CD1 LEU A 883 -19.619 15.066 -21.313 1.00 25.46 C ATOM 2455 CD2 LEU A 883 -18.703 16.214 -23.275 1.00 29.02 C ATOM 2456 H LEU A 883 -17.817 19.047 -19.404 1.00 0.00 H ATOM 2457 N MET A 884 -15.061 17.490 -20.380 1.00 18.37 N ATOM 2458 CA MET A 884 -13.645 17.266 -20.680 1.00 17.27 C ATOM 2459 C MET A 884 -12.921 16.757 -19.446 1.00 19.57 C ATOM 2460 O MET A 884 -12.052 15.892 -19.581 1.00 19.11 O ATOM 2461 CB MET A 884 -12.972 18.575 -21.137 1.00 19.60 C ATOM 2462 CG MET A 884 -12.896 18.753 -22.625 1.00 22.98 C ATOM 2463 SD MET A 884 -12.785 20.490 -23.146 1.00 27.43 S ATOM 2464 CE MET A 884 -11.222 20.940 -22.439 1.00 23.96 C ATOM 2465 H MET A 884 -15.433 18.454 -20.495 1.00 0.00 H ATOM 2466 N LEU A 885 -13.263 17.307 -18.248 1.00 13.53 N ATOM 2467 CA LEU A 885 -12.626 16.946 -16.974 1.00 13.19 C ATOM 2468 C LEU A 885 -12.939 15.527 -16.571 1.00 18.58 C ATOM 2469 O LEU A 885 -12.048 14.860 -16.068 1.00 19.44 O ATOM 2470 CB LEU A 885 -12.985 17.911 -15.836 1.00 13.39 C ATOM 2471 CG LEU A 885 -12.574 19.364 -16.000 1.00 17.62 C ATOM 2472 CD1 LEU A 885 -13.439 20.258 -15.151 1.00 18.18 C ATOM 2473 CD2 LEU A 885 -11.092 19.568 -15.760 1.00 18.74 C ATOM 2474 H LEU A 885 -14.017 18.023 -18.234 1.00 0.00 H ATOM 2475 N ARG A 886 -14.193 15.060 -16.815 1.00 15.56 N ATOM 2476 CA ARG A 886 -14.676 13.690 -16.583 1.00 15.01 C ATOM 2477 C ARG A 886 -13.836 12.694 -17.366 1.00 17.76 C ATOM 2478 O ARG A 886 -13.326 11.747 -16.779 1.00 18.60 O ATOM 2479 CB ARG A 886 -16.173 13.556 -16.904 1.00 13.63 C ATOM 2480 CG ARG A 886 -17.048 14.110 -15.788 1.00 22.85 C ATOM 2481 CD ARG A 886 -18.499 13.681 -15.906 1.00 40.20 C ATOM 2482 NE ARG A 886 -19.252 14.512 -16.846 1.00 53.29 N ATOM 2483 CZ ARG A 886 -19.802 15.684 -16.544 1.00 70.29 C ATOM 2484 NH1 ARG A 886 -19.677 16.189 -15.321 1.00 62.53 N ATOM 2485 NH2 ARG A 886 -20.474 16.366 -17.463 1.00 53.77 N ATOM 2486 HE ARG A 886 -19.365 14.161 -17.819 1.00 0.00 H ATOM 2487 HH12 ARG A 886 -20.109 17.106 -15.090 1.00 0.00 H ATOM 2488 HH11 ARG A 886 -19.147 15.667 -14.594 1.00 0.00 H ATOM 2489 HH22 ARG A 886 -20.902 17.282 -17.221 1.00 0.00 H ATOM 2490 HH21 ARG A 886 -20.573 15.984 -18.425 1.00 0.00 H ATOM 2491 H ARG A 886 -14.878 15.739 -17.204 1.00 0.00 H ATOM 2492 N CYS A 887 -13.578 12.963 -18.652 1.00 13.30 N ATOM 2493 CA CYS A 887 -12.655 12.158 -19.465 1.00 12.06 C ATOM 2494 C CYS A 887 -11.289 12.022 -18.741 1.00 12.79 C ATOM 2495 O CYS A 887 -10.567 11.052 -18.972 1.00 12.19 O ATOM 2496 CB CYS A 887 -12.470 12.796 -20.836 1.00 12.37 C ATOM 2497 SG CYS A 887 -13.984 12.898 -21.815 1.00 16.26 S ATOM 2498 H CYS A 887 -14.051 13.777 -19.095 1.00 0.00 H ATOM 2499 N TRP A 888 -10.941 13.001 -17.881 1.00 8.30 N ATOM 2500 CA TRP A 888 -9.669 13.001 -17.135 1.00 8.90 C ATOM 2501 C TRP A 888 -9.842 12.543 -15.667 1.00 12.19 C ATOM 2502 O TRP A 888 -8.980 12.860 -14.846 1.00 13.14 O ATOM 2503 CB TRP A 888 -8.928 14.365 -17.255 1.00 7.13 C ATOM 2504 CG TRP A 888 -8.777 14.805 -18.687 1.00 8.49 C ATOM 2505 CD1 TRP A 888 -8.643 13.994 -19.776 1.00 11.57 C ATOM 2506 CD2 TRP A 888 -8.903 16.134 -19.193 1.00 8.32 C ATOM 2507 NE1 TRP A 888 -8.648 14.735 -20.922 1.00 11.24 N ATOM 2508 CE2 TRP A 888 -8.818 16.055 -20.598 1.00 12.37 C ATOM 2509 CE3 TRP A 888 -9.110 17.394 -18.597 1.00 9.30 C ATOM 2510 CZ2 TRP A 888 -8.838 17.193 -21.415 1.00 11.42 C ATOM 2511 CZ3 TRP A 888 -9.157 18.513 -19.408 1.00 10.49 C ATOM 2512 CH2 TRP A 888 -9.021 18.410 -20.800 1.00 11.25 C ATOM 2513 HE1 TRP A 888 -8.540 14.358 -21.885 1.00 0.00 H ATOM 2514 H TRP A 888 -11.600 13.792 -17.737 1.00 0.00 H ATOM 2515 N SER A 889 -10.902 11.732 -15.362 1.00 7.41 N ATOM 2516 CA SER A 889 -11.128 11.146 -14.024 1.00 7.85 C ATOM 2517 C SER A 889 -9.964 10.230 -13.699 1.00 12.53 C ATOM 2518 O SER A 889 -9.444 9.593 -14.611 1.00 12.42 O ATOM 2519 CB SER A 889 -12.420 10.320 -13.967 1.00 9.46 C ATOM 2520 OG SER A 889 -13.594 11.052 -14.300 1.00 13.79 O ATOM 2521 HG SER A 889 -13.512 11.402 -15.222 1.00 0.00 H ATOM 2522 H SER A 889 -11.587 11.516 -16.114 1.00 0.00 H ATOM 2523 N ARG A 890 -9.567 10.131 -12.416 1.00 11.41 N ATOM 2524 CA ARG A 890 -8.445 9.252 -12.016 1.00 12.11 C ATOM 2525 C ARG A 890 -8.737 7.799 -12.304 1.00 17.23 C ATOM 2526 O ARG A 890 -7.843 7.055 -12.691 1.00 17.25 O ATOM 2527 CB ARG A 890 -8.084 9.404 -10.529 1.00 11.69 C ATOM 2528 CG ARG A 890 -6.719 8.796 -10.177 1.00 17.78 C ATOM 2529 CD ARG A 890 -6.578 8.526 -8.696 1.00 20.06 C ATOM 2530 NE ARG A 890 -5.300 7.874 -8.378 1.00 14.91 N ATOM 2531 CZ ARG A 890 -5.172 6.573 -8.150 1.00 18.77 C ATOM 2532 NH1 ARG A 890 -6.230 5.774 -8.210 1.00 5.07 N ATOM 2533 NH2 ARG A 890 -3.982 6.055 -7.882 1.00 7.08 N ATOM 2534 HE ARG A 890 -4.447 8.466 -8.329 1.00 0.00 H ATOM 2535 HH12 ARG A 890 -6.123 4.755 -8.030 1.00 0.00 H ATOM 2536 HH11 ARG A 890 -7.166 6.167 -8.437 1.00 0.00 H ATOM 2537 HH22 ARG A 890 -3.887 5.035 -7.704 1.00 0.00 H ATOM 2538 HH21 ARG A 890 -3.143 6.669 -7.850 1.00 0.00 H ATOM 2539 H ARG A 890 -10.061 10.686 -11.688 1.00 0.00 H ATOM 2540 N GLU A 891 -9.985 7.402 -12.095 1.00 15.17 N ATOM 2541 CA GLU A 891 -10.443 6.037 -12.271 1.00 14.60 C ATOM 2542 C GLU A 891 -11.022 5.804 -13.649 1.00 16.85 C ATOM 2543 O GLU A 891 -11.989 6.470 -14.036 1.00 16.69 O ATOM 2544 CB GLU A 891 -11.474 5.655 -11.183 1.00 15.75 C ATOM 2545 CG GLU A 891 -10.969 5.761 -9.752 1.00 26.53 C ATOM 2546 CD GLU A 891 -9.627 5.108 -9.467 1.00 35.79 C ATOM 2547 OE1 GLU A 891 -9.343 4.017 -10.015 1.00 26.83 O ATOM 2548 OE2 GLU A 891 -8.857 5.696 -8.678 1.00 14.95 O ATOM 2549 H GLU A 891 -10.678 8.113 -11.786 1.00 0.00 H ATOM 2550 N SER A 892 -10.489 4.786 -14.340 1.00 11.39 N ATOM 2551 CA SER A 892 -10.942 4.344 -15.657 1.00 11.45 C ATOM 2552 C SER A 892 -12.458 4.194 -15.731 1.00 16.54 C ATOM 2553 O SER A 892 -13.071 4.668 -16.671 1.00 15.03 O ATOM 2554 CB SER A 892 -10.286 3.010 -16.000 1.00 14.25 C ATOM 2555 OG SER A 892 -8.899 3.182 -16.223 1.00 23.39 O ATOM 2556 HG SER A 892 -8.491 2.308 -16.444 1.00 0.00 H ATOM 2557 H SER A 892 -9.695 4.273 -13.907 1.00 0.00 H ATOM 2558 N GLU A 893 -13.065 3.548 -14.731 1.00 17.33 N ATOM 2559 CA GLU A 893 -14.511 3.298 -14.719 1.00 18.25 C ATOM 2560 C GLU A 893 -15.364 4.573 -14.525 1.00 24.18 C ATOM 2561 O GLU A 893 -16.553 4.547 -14.839 1.00 24.45 O ATOM 2562 CB GLU A 893 -14.867 2.212 -13.699 1.00 19.32 C ATOM 2563 CG GLU A 893 -14.339 0.842 -14.065 1.00 26.62 C ATOM 2564 CD GLU A 893 -12.940 0.470 -13.601 1.00 45.31 C ATOM 2565 OE1 GLU A 893 -12.197 1.360 -13.123 1.00 37.22 O ATOM 2566 OE2 GLU A 893 -12.583 -0.725 -13.734 1.00 29.76 O ATOM 2567 H GLU A 893 -12.492 3.210 -13.932 1.00 0.00 H ATOM 2568 N GLN A 894 -14.754 5.688 -14.078 1.00 21.47 N ATOM 2569 CA GLN A 894 -15.468 6.962 -13.889 1.00 21.95 C ATOM 2570 C GLN A 894 -15.504 7.817 -15.183 1.00 25.13 C ATOM 2571 O GLN A 894 -16.239 8.803 -15.247 1.00 26.67 O ATOM 2572 CB GLN A 894 -14.871 7.777 -12.715 1.00 23.02 C ATOM 2573 CG GLN A 894 -14.952 7.095 -11.344 1.00 35.90 C ATOM 2574 CD GLN A 894 -14.267 7.887 -10.244 1.00 54.18 C ATOM 2575 OE1 GLN A 894 -13.167 8.436 -10.411 1.00 51.39 O ATOM 2576 NE2 GLN A 894 -14.873 7.908 -9.067 1.00 38.21 N ATOM 2577 HE22 GLN A 894 -15.795 7.442 -8.948 1.00 0.00 H ATOM 2578 HE21 GLN A 894 -14.427 8.391 -8.261 1.00 0.00 H ATOM 2579 H GLN A 894 -13.738 5.647 -13.858 1.00 0.00 H ATOM 2580 N ARG A 895 -14.709 7.447 -16.194 1.00 18.70 N ATOM 2581 CA ARG A 895 -14.639 8.155 -17.474 1.00 17.03 C ATOM 2582 C ARG A 895 -15.883 7.852 -18.319 1.00 20.47 C ATOM 2583 O ARG A 895 -16.252 6.687 -18.433 1.00 20.96 O ATOM 2584 CB ARG A 895 -13.324 7.829 -18.208 1.00 13.27 C ATOM 2585 CG ARG A 895 -12.113 8.401 -17.447 1.00 18.94 C ATOM 2586 CD ARG A 895 -10.773 8.007 -18.011 1.00 14.80 C ATOM 2587 NE ARG A 895 -9.738 7.958 -16.971 1.00 9.57 N ATOM 2588 CZ ARG A 895 -8.573 7.337 -17.117 1.00 19.23 C ATOM 2589 NH1 ARG A 895 -8.280 6.726 -18.253 1.00 3.00 N ATOM 2590 NH2 ARG A 895 -7.685 7.337 -16.130 1.00 10.81 N ATOM 2591 HE ARG A 895 -9.928 8.437 -16.068 1.00 0.00 H ATOM 2592 HH12 ARG A 895 -7.366 6.241 -18.362 1.00 0.00 H ATOM 2593 HH11 ARG A 895 -8.963 6.730 -19.037 1.00 0.00 H ATOM 2594 HH22 ARG A 895 -6.774 6.849 -16.250 1.00 0.00 H ATOM 2595 HH21 ARG A 895 -7.900 7.825 -15.237 1.00 0.00 H ATOM 2596 H ARG A 895 -14.107 6.609 -16.063 1.00 0.00 H ATOM 2597 N PRO A 896 -16.578 8.861 -18.874 1.00 17.50 N ATOM 2598 CA PRO A 896 -17.804 8.567 -19.641 1.00 18.16 C ATOM 2599 C PRO A 896 -17.589 7.729 -20.905 1.00 21.82 C ATOM 2600 O PRO A 896 -16.583 7.904 -21.607 1.00 21.81 O ATOM 2601 CB PRO A 896 -18.364 9.955 -19.978 1.00 20.22 C ATOM 2602 CG PRO A 896 -17.217 10.875 -19.867 1.00 24.58 C ATOM 2603 CD PRO A 896 -16.304 10.312 -18.830 1.00 19.65 C ATOM 2604 N PRO A 897 -18.499 6.775 -21.200 1.00 15.23 N ATOM 2605 CA PRO A 897 -18.333 5.997 -22.432 1.00 13.70 C ATOM 2606 C PRO A 897 -18.568 6.892 -23.631 1.00 14.49 C ATOM 2607 O PRO A 897 -19.276 7.895 -23.524 1.00 15.50 O ATOM 2608 CB PRO A 897 -19.401 4.897 -22.327 1.00 15.50 C ATOM 2609 CG PRO A 897 -20.388 5.392 -21.374 1.00 20.72 C ATOM 2610 CD PRO A 897 -19.735 6.410 -20.480 1.00 16.56 C ATOM 2611 N PHE A 898 -18.028 6.495 -24.780 1.00 6.55 N ATOM 2612 CA PHE A 898 -18.154 7.207 -26.036 1.00 5.39 C ATOM 2613 C PHE A 898 -19.568 7.448 -26.510 1.00 11.48 C ATOM 2614 O PHE A 898 -19.793 8.401 -27.255 1.00 11.16 O ATOM 2615 CB PHE A 898 -17.363 6.506 -27.108 1.00 5.76 C ATOM 2616 CG PHE A 898 -15.888 6.731 -26.953 1.00 5.18 C ATOM 2617 CD1 PHE A 898 -15.340 8.000 -27.124 1.00 8.26 C ATOM 2618 CD2 PHE A 898 -15.041 5.678 -26.672 1.00 4.89 C ATOM 2619 CE1 PHE A 898 -13.961 8.203 -27.023 1.00 8.34 C ATOM 2620 CE2 PHE A 898 -13.657 5.873 -26.604 1.00 8.22 C ATOM 2621 CZ PHE A 898 -13.129 7.136 -26.754 1.00 6.59 C ATOM 2622 H PHE A 898 -17.477 5.613 -24.777 1.00 0.00 H ATOM 2623 N SER A 899 -20.518 6.599 -26.072 1.00 9.54 N ATOM 2624 CA SER A 899 -21.934 6.721 -26.392 1.00 9.67 C ATOM 2625 C SER A 899 -22.476 7.933 -25.670 1.00 13.76 C ATOM 2626 O SER A 899 -23.332 8.608 -26.209 1.00 14.34 O ATOM 2627 CB SER A 899 -22.688 5.464 -25.970 1.00 12.76 C ATOM 2628 OG SER A 899 -22.654 5.302 -24.561 1.00 21.54 O ATOM 2629 HG SER A 899 -23.149 4.481 -24.312 1.00 0.00 H ATOM 2630 H SER A 899 -20.222 5.806 -25.467 1.00 0.00 H ATOM 2631 N GLN A 900 -21.937 8.241 -24.465 1.00 12.35 N ATOM 2632 CA GLN A 900 -22.379 9.379 -23.667 1.00 11.62 C ATOM 2633 C GLN A 900 -21.820 10.663 -24.179 1.00 13.83 C ATOM 2634 O GLN A 900 -22.539 11.643 -24.210 1.00 11.33 O ATOM 2635 CB GLN A 900 -22.094 9.202 -22.176 1.00 12.95 C ATOM 2636 CG GLN A 900 -22.835 10.230 -21.320 1.00 20.57 C ATOM 2637 CD GLN A 900 -22.472 10.256 -19.852 1.00 31.45 C ATOM 2638 OE1 GLN A 900 -21.439 9.744 -19.421 1.00 24.29 O ATOM 2639 NE2 GLN A 900 -23.292 10.942 -19.061 1.00 20.33 N ATOM 2640 HE22 GLN A 900 -24.159 11.364 -19.451 1.00 0.00 H ATOM 2641 HE21 GLN A 900 -23.067 11.056 -18.052 1.00 0.00 H ATOM 2642 H GLN A 900 -21.175 7.639 -24.093 1.00 0.00 H ATOM 2643 N LEU A 901 -20.526 10.682 -24.535 1.00 13.62 N ATOM 2644 CA LEU A 901 -19.842 11.852 -25.089 1.00 12.78 C ATOM 2645 C LEU A 901 -20.554 12.222 -26.377 1.00 17.23 C ATOM 2646 O LEU A 901 -20.905 13.382 -26.560 1.00 18.78 O ATOM 2647 CB LEU A 901 -18.362 11.505 -25.410 1.00 13.09 C ATOM 2648 CG LEU A 901 -17.437 11.179 -24.231 1.00 16.58 C ATOM 2649 CD1 LEU A 901 -16.150 10.509 -24.720 1.00 16.31 C ATOM 2650 CD2 LEU A 901 -17.100 12.438 -23.446 1.00 17.42 C ATOM 2651 H LEU A 901 -19.974 9.810 -24.409 1.00 0.00 H ATOM 2652 N HIS A 902 -20.811 11.219 -27.255 1.00 13.33 N ATOM 2653 CA HIS A 902 -21.499 11.418 -28.528 1.00 11.83 C ATOM 2654 C HIS A 902 -22.837 12.101 -28.363 1.00 16.01 C ATOM 2655 O HIS A 902 -23.108 13.030 -29.117 1.00 15.18 O ATOM 2656 CB HIS A 902 -21.684 10.114 -29.344 1.00 11.46 C ATOM 2657 CG HIS A 902 -22.402 10.389 -30.633 1.00 13.33 C ATOM 2658 ND1 HIS A 902 -21.752 10.974 -31.705 1.00 14.07 N ATOM 2659 CD2 HIS A 902 -23.723 10.296 -30.924 1.00 13.67 C ATOM 2660 CE1 HIS A 902 -22.684 11.176 -32.622 1.00 13.05 C ATOM 2661 NE2 HIS A 902 -23.885 10.781 -32.198 1.00 12.80 N ATOM 2662 H HIS A 902 -20.501 10.257 -27.008 1.00 0.00 H ATOM 2663 N ARG A 903 -23.687 11.615 -27.434 1.00 13.98 N ATOM 2664 CA ARG A 903 -25.006 12.203 -27.234 1.00 14.54 C ATOM 2665 C ARG A 903 -24.883 13.614 -26.705 1.00 19.66 C ATOM 2666 O ARG A 903 -25.573 14.489 -27.232 1.00 20.26 O ATOM 2667 CB ARG A 903 -25.923 11.330 -26.348 1.00 16.09 C ATOM 2668 CG ARG A 903 -27.375 11.835 -26.316 1.00 20.32 C ATOM 2669 CD ARG A 903 -28.194 11.151 -25.240 1.00 26.53 C ATOM 2670 NE ARG A 903 -29.591 11.583 -25.263 1.00 28.91 N ATOM 2671 CZ ARG A 903 -30.558 11.056 -24.518 1.00 44.71 C ATOM 2672 NH1 ARG A 903 -30.293 10.068 -23.674 1.00 39.87 N ATOM 2673 NH2 ARG A 903 -31.798 11.512 -24.613 1.00 28.22 N ATOM 2674 HE ARG A 903 -29.846 12.358 -25.908 1.00 0.00 H ATOM 2675 HH12 ARG A 903 -31.055 9.661 -23.095 1.00 0.00 H ATOM 2676 HH11 ARG A 903 -29.324 9.700 -23.592 1.00 0.00 H ATOM 2677 HH22 ARG A 903 -32.551 11.097 -24.028 1.00 0.00 H ATOM 2678 HH21 ARG A 903 -32.019 12.285 -25.272 1.00 0.00 H ATOM 2679 H ARG A 903 -23.395 10.806 -26.850 1.00 0.00 H ATOM 2680 N PHE A 904 -23.982 13.857 -25.711 1.00 15.12 N ATOM 2681 CA PHE A 904 -23.792 15.213 -25.175 1.00 15.61 C ATOM 2682 C PHE A 904 -23.371 16.168 -26.282 1.00 19.42 C ATOM 2683 O PHE A 904 -24.042 17.173 -26.495 1.00 20.03 O ATOM 2684 CB PHE A 904 -22.786 15.262 -23.994 1.00 17.91 C ATOM 2685 CG PHE A 904 -22.726 16.590 -23.259 1.00 19.60 C ATOM 2686 CD1 PHE A 904 -21.975 17.652 -23.758 1.00 22.49 C ATOM 2687 CD2 PHE A 904 -23.382 16.762 -22.044 1.00 21.77 C ATOM 2688 CE1 PHE A 904 -21.923 18.874 -23.080 1.00 23.54 C ATOM 2689 CE2 PHE A 904 -23.331 17.981 -21.367 1.00 24.70 C ATOM 2690 CZ PHE A 904 -22.600 19.031 -21.885 1.00 23.14 C ATOM 2691 H PHE A 904 -23.420 13.071 -25.326 1.00 0.00 H ATOM 2692 N LEU A 905 -22.307 15.836 -27.022 1.00 15.80 N ATOM 2693 CA LEU A 905 -21.786 16.702 -28.081 1.00 15.35 C ATOM 2694 C LEU A 905 -22.788 16.977 -29.194 1.00 22.04 C ATOM 2695 O LEU A 905 -22.770 18.062 -29.745 1.00 21.17 O ATOM 2696 CB LEU A 905 -20.466 16.166 -28.644 1.00 14.43 C ATOM 2697 CG LEU A 905 -19.282 16.144 -27.681 1.00 17.39 C ATOM 2698 CD1 LEU A 905 -18.250 15.141 -28.130 1.00 17.32 C ATOM 2699 CD2 LEU A 905 -18.664 17.541 -27.520 1.00 14.28 C ATOM 2700 H LEU A 905 -21.832 14.929 -26.838 1.00 0.00 H ATOM 2701 N ALA A 906 -23.683 16.027 -29.493 1.00 21.60 N ATOM 2702 CA ALA A 906 -24.695 16.177 -30.548 1.00 21.98 C ATOM 2703 C ALA A 906 -26.011 16.823 -30.096 1.00 28.24 C ATOM 2704 O ALA A 906 -26.724 17.377 -30.938 1.00 27.08 O ATOM 2705 CB ALA A 906 -24.983 14.821 -31.177 1.00 22.42 C ATOM 2706 H ALA A 906 -23.661 15.139 -28.952 1.00 0.00 H ATOM 2707 N GLU A 907 -26.347 16.730 -28.787 1.00 27.52 N ATOM 2708 CA GLU A 907 -27.613 17.218 -28.230 1.00 28.67 C ATOM 2709 C GLU A 907 -27.460 18.371 -27.217 1.00 38.19 C ATOM 2710 O GLU A 907 -28.205 19.352 -27.302 1.00 39.53 O ATOM 2711 CB GLU A 907 -28.441 16.052 -27.628 1.00 29.70 C ATOM 2712 CG GLU A 907 -28.596 14.867 -28.573 1.00 39.88 C ATOM 2713 CD GLU A 907 -29.782 13.932 -28.405 1.00 55.45 C ATOM 2714 OE1 GLU A 907 -30.281 13.434 -29.440 1.00 59.98 O ATOM 2715 OE2 GLU A 907 -30.189 13.662 -27.252 1.00 33.97 O ATOM 2716 H GLU A 907 -25.666 16.286 -28.138 1.00 0.00 H ATOM 2717 N ASP A 908 -26.526 18.253 -26.262 1.00 37.14 N ATOM 2718 CA ASP A 908 -26.278 19.282 -25.249 1.00 38.32 C ATOM 2719 C ASP A 908 -25.098 20.227 -25.613 1.00 45.37 C ATOM 2720 O ASP A 908 -23.920 19.889 -25.464 1.00 43.63 O ATOM 2721 CB ASP A 908 -26.114 18.649 -23.858 1.00 40.13 C ATOM 2722 CG ASP A 908 -27.367 17.933 -23.394 1.00 50.46 C ATOM 2723 OD1 ASP A 908 -28.286 18.615 -22.870 1.00 52.50 O ATOM 2724 OD2 ASP A 908 -27.450 16.701 -23.587 1.00 51.77 O ATOM 2725 H ASP A 908 -25.949 17.388 -26.239 1.00 0.00 H ATOM 2726 N ALA A 909 -25.458 21.403 -26.143 1.00 45.44 N ATOM 2727 CA ALA A 909 -24.592 22.525 -26.546 1.00 45.96 C ATOM 2728 C ALA A 909 -25.229 23.801 -25.966 1.00 50.74 C ATOM 2729 O ALA A 909 -24.794 24.926 -26.249 1.00 50.40 O ATOM 2730 CB ALA A 909 -24.562 22.626 -28.054 1.00 46.77 C ATOM 2731 H ALA A 909 -26.478 21.542 -26.289 1.00 0.00 H ATOM 2732 N LEU A 910 -26.293 23.590 -25.169 1.00 46.75 N ATOM 2733 CA LEU A 910 -27.090 24.603 -24.499 1.00 46.06 C ATOM 2734 C LEU A 910 -26.598 24.734 -23.055 1.00 49.80 C ATOM 2735 O LEU A 910 -27.356 24.520 -22.100 1.00 49.02 O ATOM 2736 CB LEU A 910 -28.583 24.211 -24.550 1.00 45.99 C ATOM 2737 CG LEU A 910 -29.147 23.796 -25.899 1.00 50.23 C ATOM 2738 CD1 LEU A 910 -30.513 23.191 -25.746 1.00 50.68 C ATOM 2739 CD2 LEU A 910 -29.162 24.950 -26.869 1.00 52.06 C ATOM 2740 H LEU A 910 -26.573 22.600 -25.017 1.00 0.00 H ATOM 2741 N ASN A 911 -25.309 25.072 -22.912 1.00 46.53 N ATOM 2742 CA ASN A 911 -24.637 25.183 -21.623 1.00 46.65 C ATOM 2743 C ASN A 911 -23.768 26.425 -21.487 1.00 50.24 C ATOM 2744 O ASN A 911 -23.275 26.964 -22.484 1.00 49.62 O ATOM 2745 CB ASN A 911 -23.822 23.918 -21.334 1.00 49.70 C ATOM 2746 CG ASN A 911 -23.001 23.440 -22.501 1.00 78.52 C ATOM 2747 OD1 ASN A 911 -23.483 22.700 -23.361 1.00 80.64 O ATOM 2748 ND2 ASN A 911 -21.748 23.859 -22.561 1.00 68.57 N ATOM 2749 HD22 ASN A 911 -21.372 24.483 -21.819 1.00 0.00 H ATOM 2750 HD21 ASN A 911 -21.138 23.564 -23.350 1.00 0.00 H ATOM 2751 H ASN A 911 -24.756 25.266 -23.771 1.00 0.00 H ATOM 2752 N THR A 912 -23.586 26.866 -20.230 1.00 46.59 N ATOM 2753 CA THR A 912 -22.792 28.030 -19.840 1.00 61.40 C ATOM 2754 C THR A 912 -21.656 27.596 -18.914 1.00 80.88 C ATOM 2755 O THR A 912 -21.846 26.725 -18.066 1.00 36.30 O ATOM 2756 CB THR A 912 -23.682 29.098 -19.185 1.00 66.82 C ATOM 2757 OG1 THR A 912 -24.365 28.523 -18.074 1.00 66.94 O ATOM 2758 CG2 THR A 912 -24.689 29.708 -20.153 1.00 63.91 C ATOM 2759 HG1 THR A 912 -23.703 28.193 -17.416 1.00 0.00 H ATOM 2760 H THR A 912 -24.051 26.332 -19.468 1.00 0.00 H TER 2761 THR A 912 HETATM 2762 O HOH 1 -4.874 8.210 -23.041 1.00 6.97 O HETATM 2763 O HOH 2 -6.280 2.596 -19.300 1.00 11.30 O HETATM 2764 O HOH 3 -15.049 20.221 -49.250 1.00 37.45 O HETATM 2765 O HOH 4 8.165 18.269 -37.126 1.00 31.84 O HETATM 2766 O HOH 5 -14.204 2.316 -42.108 1.00 8.25 O HETATM 2767 O HOH 6 -9.519 7.741 -7.119 1.00 31.36 O HETATM 2768 O HOH 7 -4.732 2.299 -33.789 1.00 7.33 O HETATM 2769 O HOH 8 7.301 -5.589 -38.864 1.00 23.71 O HETATM 2770 O HOH 9 -5.821 4.595 -25.132 1.00 12.83 O HETATM 2771 O HOH 10 -21.603 12.064 -35.876 1.00 19.34 O HETATM 2772 O HOH 11 -5.469 1.985 -65.453 1.00 22.44 O HETATM 2773 O HOH 12 3.922 6.273 -31.432 1.00 38.48 O HETATM 2774 O HOH 13 -8.917 -9.237 -59.223 1.00 17.24 O HETATM 2775 O HOH 14 -24.824 7.860 -28.300 1.00 25.11 O HETATM 2776 O HOH 15 -10.411 3.556 -63.234 1.00 26.78 O HETATM 2777 O HOH 16 -13.908 35.139 -37.177 1.00 25.41 O HETATM 2778 O HOH 17 2.682 14.573 -26.456 1.00 11.58 O HETATM 2779 O HOH 18 -2.580 10.538 -29.131 1.00 20.00 O HETATM 2780 O HOH 19 -24.815 19.687 -29.093 1.00 27.20 O HETATM 2781 O HOH 20 -12.804 8.284 -51.346 1.00 14.83 O HETATM 2782 O HOH 21 1.008 27.624 -30.364 1.00 42.82 O HETATM 2783 O HOH 22 -1.599 14.643 -6.439 1.00 22.20 O HETATM 2784 O HOH 23 -12.616 13.894 -49.319 1.00 29.98 O HETATM 2785 O HOH 24 10.153 18.351 -13.607 1.00 24.47 O HETATM 2786 O HOH 25 -19.852 6.644 -36.677 1.00 25.71 O HETATM 2787 O HOH 26 -18.562 30.005 -40.220 1.00 29.00 O HETATM 2788 O HOH 27 0.204 10.531 -36.673 1.00 56.72 O HETATM 2789 O HOH 28 -14.330 12.035 -56.752 1.00 36.62 O HETATM 2790 O HOH 29 -4.627 -1.707 -30.299 1.00 31.16 O HETATM 2791 O HOH 30 -20.625 1.059 -38.555 1.00 23.40 O HETATM 2792 O HOH 31 6.825 12.176 -36.616 1.00 27.28 O HETATM 2793 O HOH 32 -11.566 2.163 -27.911 1.00 11.92 O HETATM 2794 O HOH 33 -5.464 20.998 -10.631 1.00 22.97 O HETATM 2795 O HOH 34 -28.839 11.172 -29.902 1.00 20.47 O HETATM 2796 O HOH 35 -9.344 13.431 -12.197 1.00 23.54 O HETATM 2797 O HOH 36 0.818 17.843 -10.966 1.00 20.71 O HETATM 2798 O HOH 37 -2.860 8.235 -26.858 1.00 29.08 O HETATM 2799 O HOH 38 -18.108 29.807 -27.776 1.00 34.66 O HETATM 2800 O HOH 39 -23.714 8.017 -34.313 1.00 45.99 O HETATM 2801 O HOH 40 -22.912 26.660 -25.177 1.00 27.08 O HETATM 2802 O HOH 41 11.385 18.922 -22.208 1.00 48.90 O HETATM 2803 O HOH 42 -1.991 -7.893 -57.100 1.00 36.63 O HETATM 2804 O HOH 43 -2.169 0.276 -61.437 1.00 34.45 O HETATM 2805 O HOH 44 -14.124 -1.692 -25.066 1.00 33.66 O HETATM 2806 O HOH 45 -18.649 34.893 -28.282 1.00 27.68 O HETATM 2807 O HOH 46 -14.451 25.953 -44.469 1.00 17.68 O HETATM 2808 O HOH 47 7.429 24.886 -17.611 1.00 10.43 O HETATM 2809 O HOH 48 11.842 16.426 -25.271 1.00 19.04 O HETATM 2810 O HOH 49 6.517 12.689 -10.363 1.00 34.70 O HETATM 2811 O HOH 50 -10.561 32.142 -34.162 1.00 17.75 O HETATM 2812 O HOH 51 3.603 17.942 -4.953 1.00 32.82 O HETATM 2813 O HOH 52 -14.370 6.204 -50.501 1.00 26.04 O HETATM 2814 O HOH 53 -6.475 29.606 -44.215 1.00 40.99 O HETATM 2815 O HOH 54 -7.316 17.203 -53.316 1.00 42.43 O HETATM 2816 O HOH 55 -20.774 4.311 -33.681 1.00 24.22 O HETATM 2817 O HOH 56 -9.986 -5.806 -31.477 1.00 27.05 O HETATM 2818 O HOH 57 -22.483 33.203 -34.799 1.00 30.66 O HETATM 2819 O HOH 58 -19.507 32.303 -31.778 1.00 30.09 O HETATM 2820 O HOH 59 3.112 -11.206 -52.308 1.00 26.51 O HETATM 2821 O HOH 60 0.093 5.120 -43.866 1.00 25.00 O HETATM 2822 O HOH 61 -5.779 7.146 -27.992 1.00 3.00 O HETATM 2823 O HOH 62 -3.293 25.007 -41.935 1.00 26.66 O HETATM 2824 O HOH 63 -18.320 -3.928 -38.799 1.00 22.36 O HETATM 2825 O HOH 64 -2.811 -2.292 -22.308 1.00 21.59 O HETATM 2826 O HOH 65 1.812 20.101 -8.819 1.00 26.77 O HETATM 2827 O HOH 66 2.379 14.083 -3.761 1.00 45.77 O HETATM 2828 O HOH 67 -16.277 5.101 -47.983 1.00 49.83 O HETATM 2829 O HOH 68 0.248 5.528 -33.694 1.00 45.00 O HETATM 2830 O HOH 69 3.750 31.273 -20.203 1.00 28.21 O HETATM 2831 O HOH 70 3.307 0.797 -43.794 1.00 39.43 O HETATM 2832 O HOH 71 -14.974 23.163 -12.619 1.00 24.96 O HETATM 2833 O HOH 72 -15.509 4.418 -20.045 1.00 35.26 O HETATM 2834 O HOH 73 10.284 14.983 -28.967 1.00 31.43 O HETATM 2835 O HOH 74 2.387 2.728 -28.575 1.00 49.02 O HETATM 2836 O HOH 75 -0.776 8.929 -1.884 1.00 36.31 O HETATM 2837 O HOH 76 -11.454 -2.920 -25.172 1.00 27.02 O HETATM 2838 O HOH 77 -21.311 13.335 -47.074 1.00 29.47 O HETATM 2839 O HOH 78 -21.872 10.220 -37.759 1.00 15.27 O HETATM 2840 O HOH 79 -16.969 7.242 -63.680 1.00 34.36 O HETATM 2841 O HOH 80 10.929 3.699 -31.909 1.00 27.85 O HETATM 2842 O HOH 81 11.684 19.676 -16.762 1.00 38.43 O HETATM 2843 O HOH 82 -10.714 11.535 -10.117 1.00 33.18 O HETATM 2844 O HOH 83 9.161 19.780 -23.521 1.00 35.23 O HETATM 2845 O HOH 84 -10.531 -1.643 -23.027 1.00 17.73 O HETATM 2846 O HOH 85 -2.360 3.770 -60.295 1.00 21.61 O HETATM 2847 O HOH 86 5.805 0.512 -41.582 1.00 34.37 O HETATM 2848 O HOH 87 -20.580 11.221 -40.046 1.00 40.63 O HETATM 2849 O HOH 88 -20.390 30.119 -33.668 1.00 27.38 O HETATM 2850 O HOH 89 -8.395 12.306 -8.909 1.00 31.08 O HETATM 2851 O HOH 90 1.718 3.167 -39.330 1.00 32.11 O HETATM 2852 O HOH 91 -2.573 23.719 -21.979 1.00 14.41 O HETATM 2853 O HOH 92 2.638 11.440 -38.446 1.00 35.79 O HETATM 2854 O HOH 93 -0.636 23.521 -33.916 1.00 27.39 O HETATM 2855 O HOH 94 5.191 15.624 -26.217 1.00 15.56 O HETATM 2856 O HOH 95 -0.047 4.321 -41.033 1.00 37.32 O HETATM 2857 O HOH 96 9.701 -8.817 -40.604 1.00 20.89 O HETATM 2858 O HOH 97 -0.391 14.696 -17.730 1.00 16.30 O HETATM 2859 O HOH 98 -5.332 10.471 -1.242 1.00 25.25 O HETATM 2860 O HOH 99 -5.595 -5.671 -62.773 1.00 17.76 O HETATM 2861 O HOH 100 2.449 0.729 -31.871 1.00 31.19 O HETATM 2862 O HOH 101 1.128 -2.449 -38.762 1.00 41.64 O HETATM 2863 O HOH 102 15.347 13.650 -21.019 1.00 44.25 O HETATM 2864 O HOH 103 -21.965 19.160 -18.062 1.00 28.36 O HETATM 2865 O HOH 104 -9.121 26.780 -16.783 1.00 32.56 O HETATM 2866 O HOH 105 -19.863 43.377 -31.093 1.00 28.89 O HETATM 2867 O HOH 106 13.798 -6.246 -43.262 1.00 27.25 O HETATM 2868 O HOH 107 -21.343 13.574 -41.139 1.00 26.43 O HETATM 2869 O HOH 108 -6.720 -3.223 -29.477 1.00 19.95 O HETATM 2870 O HOH 109 -9.679 -1.579 -13.228 1.00 42.95 O HETATM 2871 O HOH 110 6.606 4.058 -46.457 1.00 44.53 O HETATM 2872 O HOH 111 -6.715 33.882 -46.500 1.00 41.34 O HETATM 2873 O HOH 112 -13.408 34.655 -45.642 1.00 56.74 O HETATM 2874 O HOH 113 -16.472 17.547 -13.928 1.00 31.79 O HETATM 2875 O HOH 114 13.626 -1.597 -41.974 1.00 31.04 O HETATM 2876 O HOH 115 -15.311 12.721 -48.259 1.00 27.67 O HETATM 2877 O HOH 116 10.150 9.583 -56.283 1.00 34.61 O HETATM 2878 O HOH 117 -11.490 14.842 -12.978 1.00 24.44 O HETATM 2879 O HOH 118 -9.412 -5.988 -52.265 1.00 34.72 O HETATM 2880 O HOH 119 19.851 5.004 -28.353 1.00 25.25 O HETATM 2881 O HOH 120 8.075 -10.402 -44.427 1.00 32.08 O HETATM 2882 O HOH 121 -5.328 19.422 -48.397 1.00 24.12 O HETATM 2883 O HOH 122 -0.038 24.738 -19.567 1.00 40.98 O HETATM 2884 O HOH 123 -4.712 -10.784 -44.662 1.00 25.08 O HETATM 2885 O HOH 124 -20.818 34.059 -29.955 1.00 31.19 O HETATM 2886 O HOH 125 -0.810 22.261 -39.759 1.00 55.88 O HETATM 2887 O HOH 126 -23.239 25.763 -38.950 1.00 23.65 O HETATM 2888 O HOH 127 -21.819 24.947 -15.040 1.00 35.53 O HETATM 2889 O HOH 128 -7.583 36.219 -40.652 1.00 45.92 O HETATM 2890 O HOH 129 -0.643 5.084 -58.789 1.00 27.30 O HETATM 2891 O HOH 130 -17.787 11.970 -52.537 1.00 28.90 O HETATM 2892 O HOH 131 9.015 0.205 -41.333 1.00 40.60 O HETATM 2893 O HOH 132 15.063 -7.068 -45.786 1.00 37.57 O HETATM 2894 O HOH 133 10.754 12.539 -30.413 1.00 55.83 O HETATM 2895 O HOH 134 -5.751 33.478 -35.120 1.00 29.21 O HETATM 2896 O HOH 135 -16.678 35.698 -37.607 1.00 22.25 O HETATM 2897 O HOH 136 -22.056 11.458 -60.292 1.00 38.27 O HETATM 2898 O HOH 137 4.208 20.202 -31.507 1.00 30.94 O HETATM 2899 O HOH 138 11.896 12.813 -27.527 1.00 28.72 O HETATM 2900 O HOH 139 -17.374 20.789 -48.145 1.00 6.84 O HETATM 2901 O HOH 140 -16.341 31.119 -44.412 1.00 27.60 O HETATM 2902 O HOH 141 -6.925 22.287 -45.055 1.00 16.55 O HETATM 2903 O HOH 142 0.820 4.891 -27.999 1.00 27.25 O HETATM 2904 O HOH 143 -8.116 38.150 -37.414 1.00 43.38 O HETATM 2905 O HOH 144 -17.473 3.204 -17.786 1.00 59.23 O HETATM 2906 O HOH 145 16.608 -4.291 -51.077 1.00 25.68 O HETATM 2907 O HOH 146 5.055 18.941 -33.917 1.00 23.40 O HETATM 2908 O HOH 147 6.331 -5.071 -52.903 1.00 27.39 O HETATM 2909 O HOH 148 -11.953 0.748 -19.785 1.00 22.32 O HETATM 2910 O HOH 149 0.439 17.739 -46.098 1.00 31.46 O HETATM 2911 O HOH 150 0.044 15.728 0.888 1.00 28.15 O HETATM 2912 O HOH 151 -9.916 21.392 -50.749 1.00 30.90 O HETATM 2913 O HOH 152 -4.778 30.996 -39.929 1.00 17.64 O HETATM 2914 O HOH 153 7.820 21.262 -11.469 1.00 32.15 O HETATM 2915 O HOH 154 -14.642 11.928 -53.891 1.00 41.39 O HETATM 2916 O HOH 155 -15.144 28.785 -44.746 1.00 29.07 O HETATM 2917 O HOH 156 -23.944 20.240 -32.799 1.00 25.49 O HETATM 2918 O HOH 157 -7.702 14.171 -2.445 1.00 24.33 O HETATM 2919 O HOH 158 -22.766 19.595 -43.677 1.00 45.32 O HETATM 2920 O HOH 159 -2.113 8.562 -65.685 1.00 46.82 O HETATM 2921 O HOH 160 -2.742 28.112 -16.995 1.00 26.20 O HETATM 2922 O HOH 161 9.500 17.412 -28.128 1.00 36.88 O HETATM 2923 O HOH 162 -19.081 40.076 -37.676 1.00 44.70 O HETATM 2924 O HOH 163 -22.779 31.356 -16.725 1.00 32.86 O HETATM 2925 O HOH 164 -28.915 15.942 -33.301 1.00 15.36 O HETATM 2926 O HOH 165 10.545 17.282 -31.545 1.00 40.67 O HETATM 2927 O HOH 166 -16.686 -1.304 -53.836 1.00 21.50 O HETATM 2928 O HOH 167 7.823 20.210 -29.202 1.00 42.13 O HETATM 2929 O HOH 168 -3.213 -3.117 -24.851 1.00 45.42 O HETATM 2930 O HOH 169 5.816 0.451 -44.537 1.00 36.98 O HETATM 2931 O HOH 170 -2.096 -16.419 -56.660 1.00 37.36 O HETATM 2932 O HOH 171 -0.332 28.084 -23.985 1.00 39.94 O HETATM 2933 O HOH 172 -2.834 -9.110 -45.660 1.00 26.85 O HETATM 2934 O HOH 173 -20.855 10.759 -16.003 1.00 37.19 O HETATM 2935 O HOH 174 -25.407 25.379 -29.802 1.00 48.27 O HETATM 2936 O HOH 175 -30.793 20.944 -29.321 1.00 29.29 O HETATM 2937 O HOH 176 8.311 -6.309 -51.526 1.00 34.48 O HETATM 2938 O HOH 177 -20.590 2.027 -42.894 1.00 26.04 O HETATM 2939 O HOH 178 -1.782 4.586 -64.039 1.00 42.43 O HETATM 2940 O HOH 179 -16.246 16.142 -63.368 1.00 48.27 O HETATM 2941 O HOH 180 -1.792 5.427 -4.133 1.00 58.17 O HETATM 2942 O HOH 181 -18.765 9.385 -57.079 1.00 21.13 O HETATM 2943 O HOH 182 4.027 8.220 -45.850 1.00 30.40 O HETATM 2944 O HOH 183 10.287 11.505 -42.963 1.00 57.51 O HETATM 2945 O HOH 184 3.008 0.940 -40.464 1.00 34.81 O HETATM 2946 O HOH 185 -7.887 11.186 -1.602 1.00 26.26 O HETATM 2947 O HOH 186 -10.968 -4.953 -48.668 1.00 28.42 O HETATM 2948 O HOH 187 -15.493 20.909 -45.647 1.00 32.80 O HETATM 2949 O HOH 188 2.562 17.427 -51.397 1.00 38.38 O HETATM 2950 O HOH 189 8.092 19.539 -26.601 1.00 37.15 O HETATM 2951 O HOH 190 -23.727 21.503 -37.502 1.00 46.14 O HETATM 2952 O HOH 191 -6.512 28.720 -22.344 1.00 36.04 O HETATM 2953 O HOH 192 5.451 -10.574 -58.757 1.00 46.97 O HETATM 2954 O HOH 193 -20.501 29.891 -16.394 1.00 32.34 O HETATM 2955 O HOH 194 1.356 8.647 -44.937 1.00 39.01 O HETATM 2956 O HOH 195 -9.588 29.627 -29.607 1.00 29.00 O HETATM 2957 O HOH 196 -21.654 1.522 -32.655 1.00 29.15 O HETATM 2958 O HOH 197 -11.736 -8.824 -29.948 1.00 32.11 O HETATM 2959 O HOH 198 -11.617 -5.231 -53.684 1.00 23.39 O HETATM 2960 O HOH 199 -23.140 4.586 -36.565 1.00 39.97 O HETATM 2961 O HOH 200 -21.403 -0.549 -43.801 1.00 38.11 O HETATM 2962 O HOH 201 -3.094 14.208 -44.765 1.00 33.31 O HETATM 2963 O HOH 202 -17.977 30.988 -23.686 1.00 33.40 O HETATM 2964 O HOH 203 11.721 10.146 -48.560 1.00 27.18 O HETATM 2965 O HOH 204 11.349 9.183 -18.726 1.00 25.46 O HETATM 2966 O HOH 205 8.759 -0.357 -22.230 1.00 44.74 O HETATM 2967 O HOH 206 -11.633 17.801 -11.719 1.00 41.47 O HETATM 2968 O HOH 207 -7.082 -9.373 -44.826 1.00 27.68 O HETATM 2969 O HOH 208 7.787 -10.959 -57.394 1.00 15.81 O HETATM 2970 O HOH 209 2.568 -2.282 -61.079 1.00 26.14 O HETATM 2971 O HOH 210 -11.468 9.588 -6.875 1.00 56.26 O HETATM 2972 O HOH 211 -25.585 28.335 -28.410 1.00 38.51 O HETATM 2973 O HOH 212 2.266 26.723 -26.224 1.00 32.08 O HETATM 2974 O HOH 213 -19.732 26.135 -40.986 1.00 39.17 O HETATM 2975 O HOH 214 -22.781 2.361 -21.614 1.00 21.63 O HETATM 2976 O HOH 215 -12.205 24.811 -46.667 1.00 49.51 O HETATM 2977 O HOH 216 -19.679 12.120 -58.032 1.00 41.00 O HETATM 2978 O HOH 217 -12.926 -9.342 -54.710 1.00 25.97 O HETATM 2979 O HOH 218 -6.807 21.731 -49.829 1.00 38.84 O HETATM 2980 O HOH 219 -9.423 24.686 -46.196 1.00 37.69 O HETATM 2981 O HOH 220 10.930 -10.926 -41.915 1.00 40.35 O HETATM 2982 O HOH 221 -9.506 6.717 -3.239 1.00 41.36 O HETATM 2983 O HOH 222 -11.136 12.213 -7.495 1.00 29.08 O HETATM 2984 O HOH 223 -17.516 -6.556 -56.314 1.00 41.20 O HETATM 2985 O HOH 224 -23.568 8.486 -38.985 1.00 38.51 O HETATM 2986 O HOH 225 -20.724 29.115 -27.548 1.00 40.01 O HETATM 2987 O HOH 226 -12.695 14.252 -64.357 1.00 18.29 O HETATM 2988 O HOH 227 4.470 4.614 -59.748 1.00 38.43 O HETATM 2989 O HOH 228 -4.643 11.048 -66.700 1.00 38.85 O HETATM 2990 O HOH 229 -1.945 -7.305 -21.312 1.00 37.09 O HETATM 2991 O HOH 230 8.547 -12.554 -51.488 1.00 38.25 O HETATM 2992 O HOH 231 -0.080 18.074 -51.133 1.00 26.64 O HETATM 2993 O HOH 232 -6.005 -4.288 -26.328 1.00 41.20 O HETATM 2994 O HOH 233 -18.822 25.341 -10.259 1.00 37.72 O HETATM 2995 O HOH 234 2.374 0.191 -59.954 1.00 35.64 O HETATM 2996 O HOH 235 -9.005 7.090 -71.473 1.00 30.19 O HETATM 2997 O HOH 236 -18.164 30.754 -17.375 1.00 28.98 O HETATM 2998 O HOH 237 7.109 -7.422 -61.846 1.00 40.84 O HETATM 2999 O HOH 238 -12.546 38.080 -45.090 1.00 39.35 O HETATM 3000 O HOH 239 -15.637 -6.492 -47.740 1.00 37.66 O HETATM 3001 O HOH 240 -7.589 17.261 -55.991 1.00 49.78 O HETATM 3002 O HOH 241 -1.655 17.665 -53.304 1.00 43.24 O HETATM 3003 O HOH 242 7.246 22.371 -35.458 1.00 45.63 O HETATM 3004 O HOH 243 -15.342 20.797 -11.341 1.00 36.69 O HETATM 3005 O HOH 244 -25.736 4.600 -62.634 1.00 26.11 O HETATM 3006 O HOH 245 -19.077 -3.024 -50.384 1.00 19.57 O HETATM 3007 O HOH 246 -20.194 10.829 -52.254 1.00 34.34 O HETATM 3008 O HOH 247 1.818 10.359 1.700 1.00 39.27 O HETATM 3009 O HOH 248 2.535 5.387 -61.632 1.00 33.93 O HETATM 3010 O HOH 249 -21.552 -2.298 -23.592 1.00 44.26 O HETATM 3011 O HOH 250 0.475 3.685 -61.061 1.00 51.68 O HETATM 3012 O HOH 251 0.484 5.788 -64.998 1.00 40.05 O HETATM 3013 O HOH 252 -19.942 1.723 -20.400 1.00 21.11 O HETATM 3014 O HOH 253 -6.353 29.308 -47.125 1.00 29.75 O HETATM 3015 O HOH 254 -20.667 0.132 -50.485 1.00 37.30 O HETATM 3016 O HOH 255 9.904 6.333 -33.802 1.00 29.56 O HETATM 3017 O HOH 256 19.856 2.593 -53.097 1.00 33.99 O HETATM 3018 O HOH 257 -27.400 24.423 -34.621 1.00 41.06 O HETATM 3019 O HOH 258 10.676 11.226 -10.248 1.00 42.46 O HETATM 3020 O HOH 259 14.526 2.802 -41.767 1.00 33.20 O HETATM 3021 O HOH 260 -22.661 3.785 -49.109 1.00 28.64 O HETATM 3022 O HOH 261 -22.975 1.483 -52.839 1.00 44.15 O HETATM 3023 O HOH 262 9.624 -15.029 -54.682 1.00 56.45 O HETATM 3024 O HOH 263 17.110 8.799 -38.395 1.00 31.20 O HETATM 3025 O HOH 264 -2.905 20.224 -56.734 1.00 37.75 O HETATM 3026 O HOH 265 -21.463 3.542 -51.845 1.00 31.02 O HETATM 3027 O HOH 266 19.077 -8.388 -47.856 1.00 49.45 O HETATM 3028 O HOH 267 -21.351 6.155 -51.079 1.00 53.75 O HETATM 3029 O HOH 268 13.637 12.279 -9.372 1.00 34.05 O HETATM 3030 O HOH 269 13.878 3.790 -38.918 1.00 40.57 O HETATM 3031 O HOH 270 16.740 6.185 -39.139 1.00 54.95 O HETATM 3032 O HOH 271 20.893 -11.922 -48.192 1.00 59.72 O HETATM 3033 CAA UNN A 272 -6.339 9.970 -46.934 1.00 0.05 C HETATM 3034 CAF UNN A 272 -4.973 9.687 -46.992 1.00 0.10 C HETATM 3035 CAE UNN A 272 -4.115 10.748 -47.485 1.00 0.05 C HETATM 3036 NAD UNN A 272 -4.637 11.916 -47.850 1.00 -0.28 N HETATM 3037 CAC UNN A 272 -5.926 12.114 -47.764 1.00 0.08 C HETATM 3038 NAB UNN A 272 -6.785 11.175 -47.311 1.00 -0.28 N HETATM 3039 H2 UNN A 272 -6.324 13.075 -48.070 1.00 0.10 H HETATM 3040 H3 UNN A 272 -3.045 10.588 -47.556 1.00 0.08 H HETATM 3041 NAG UNN A 272 -4.446 8.422 -46.501 1.00 -0.29 N HETATM 3042 CAH UNN A 272 -5.213 7.792 -45.465 1.00 0.06 C HETATM 3043 CAI UNN A 272 -4.616 6.455 -44.976 1.00 -0.01 C HETATM 3044 CAJ UNN A 272 -3.766 5.706 -45.787 1.00 -0.03 C HETATM 3045 CAK UNN A 272 -3.516 6.250 -47.214 1.00 0.01 C HETATM 3046 CAL UNN A 272 -3.323 7.749 -47.138 1.00 0.04 C HETATM 3047 H7 UNN A 272 -3.208 8.143 -48.159 1.00 0.05 H HETATM 3048 H8 UNN A 272 -2.411 7.959 -46.559 1.00 0.05 H HETATM 3049 CBI UNN A 272 -2.356 5.546 -47.942 1.00 -0.05 C HETATM 3050 H29 UNN A 272 -2.544 4.463 -47.970 1.00 0.03 H HETATM 3051 H30 UNN A 272 -1.415 5.741 -47.407 1.00 0.03 H HETATM 3052 H31 UNN A 272 -2.280 5.931 -48.969 1.00 0.03 H HETATM 3053 H6 UNN A 272 -4.424 6.059 -47.804 1.00 0.05 H HETATM 3054 CAP UNN A 272 -3.140 4.485 -45.257 1.00 -0.06 C HETATM 3055 CAO UNN A 272 -3.416 4.081 -43.942 1.00 -0.05 C HETATM 3056 CAN UNN A 272 -4.291 4.863 -43.129 1.00 0.04 C HETATM 3057 CAM UNN A 272 -4.888 6.062 -43.627 1.00 -0.04 C HETATM 3058 H9 UNN A 272 -5.534 6.662 -42.996 1.00 0.06 H HETATM 3059 CAQ UNN A 272 -4.655 4.439 -41.754 1.00 0.23 C HETATM 3060 NAR UNN A 272 -4.229 3.142 -41.301 1.00 -0.23 N HETATM 3061 CAS UNN A 272 -4.526 2.633 -40.037 1.00 0.09 C HETATM 3062 CAT UNN A 272 -5.711 2.981 -39.360 1.00 -0.02 C HETATM 3063 CAU UNN A 272 -5.950 2.488 -38.057 1.00 0.03 C HETATM 3064 CAV UNN A 272 -4.999 1.613 -37.442 1.00 -0.04 C HETATM 3065 CAW UNN A 272 -3.823 1.258 -38.128 1.00 0.02 C HETATM 3066 CAX UNN A 272 -3.608 1.731 -39.456 1.00 -0.00 C HETATM 3067 H14 UNN A 272 -2.742 1.399 -40.018 1.00 0.07 H HETATM 3068 CAZ UNN A 272 -2.795 0.324 -37.498 1.00 0.01 C HETATM 3069 NBA UNN A 272 -1.638 0.811 -37.248 1.00 0.25 N HETATM 3070 CBB UNN A 272 -0.607 0.254 -37.951 1.00 0.01 C HETATM 3071 CBC UNN A 272 0.736 0.528 -37.274 1.00 0.01 C HETATM 3072 NBD UNN A 272 0.892 1.815 -36.825 1.00 0.24 N HETATM 3073 CBE UNN A 272 -0.170 2.345 -36.157 1.00 0.01 C HETATM 3074 CBF UNN A 272 -1.477 2.118 -36.906 1.00 0.01 C HETATM 3075 H24 UNN A 272 -1.475 2.729 -37.821 1.00 0.09 H HETATM 3076 H25 UNN A 272 -2.315 2.424 -36.263 1.00 0.09 H HETATM 3077 H22 UNN A 272 -0.240 1.872 -35.166 1.00 0.09 H HETATM 3078 H23 UNN A 272 -0.011 3.427 -36.036 1.00 0.09 H HETATM 3079 CBG UNN A 272 1.941 1.896 -36.093 1.00 -0.04 C HETATM 3080 H26 UNN A 272 2.799 1.468 -36.633 1.00 0.08 H HETATM 3081 H27 UNN A 272 1.780 1.338 -35.159 1.00 0.08 H HETATM 3082 H28 UNN A 272 2.145 2.951 -35.859 1.00 0.08 H HETATM 3083 H33 UNN A 272 1.038 2.390 -37.640 1.00 0.20 H HETATM 3084 H20 UNN A 272 1.536 0.317 -37.999 1.00 0.09 H HETATM 3085 H21 UNN A 272 0.832 -0.151 -36.414 1.00 0.09 H HETATM 3086 H18 UNN A 272 -0.762 -0.833 -38.014 1.00 0.09 H HETATM 3087 H19 UNN A 272 -0.592 0.681 -38.964 1.00 0.09 H HETATM 3088 H32 UNN A 272 -1.483 0.393 -36.344 1.00 0.21 H HETATM 3089 H15 UNN A 272 -2.656 -0.525 -38.183 1.00 0.10 H HETATM 3090 H16 UNN A 272 -3.215 -0.037 -36.547 1.00 0.10 H HETATM 3091 H13 UNN A 272 -5.185 1.224 -36.447 1.00 0.07 H HETATM 3092 CAY UNN A 272 -7.265 2.967 -37.321 1.00 0.37 C HETATM 3093 F01 UNN A 272 -7.491 2.200 -36.244 1.00 -0.22 F HETATM 3094 F02 UNN A 272 -7.134 4.209 -36.885 1.00 -0.22 F HETATM 3095 F03 UNN A 272 -8.325 2.974 -38.151 1.00 -0.22 F HETATM 3096 H12 UNN A 272 -6.439 3.626 -39.838 1.00 0.07 H HETATM 3097 H17 UNN A 272 -3.691 2.575 -41.925 1.00 0.23 H HETATM 3098 OBH UNN A 272 -5.352 5.182 -41.080 1.00 -0.38 O HETATM 3099 H10 UNN A 272 -2.966 3.178 -43.545 1.00 0.06 H HETATM 3100 H11 UNN A 272 -2.470 3.901 -45.878 1.00 0.06 H HETATM 3101 H4 UNN A 272 -5.271 8.480 -44.609 1.00 0.07 H HETATM 3102 H5 UNN A 272 -6.225 7.600 -45.850 1.00 0.07 H HETATM 3103 H1 UNN A 272 -7.036 9.217 -46.585 1.00 0.08 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 298 299 308 309 310 CONECT 308 298 CONECT 309 298 CONECT 310 298 CONECT 1024 1025 1028 1029 1030 CONECT 1028 1024 CONECT 1029 1024 CONECT 1030 1024 CONECT 3033 3034 3038 3103 CONECT 3034 3033 3035 3041 CONECT 3035 3034 3036 3040 CONECT 3036 3035 3037 CONECT 3037 3036 3038 3039 CONECT 3038 3033 3037 CONECT 3039 3037 CONECT 3040 3035 CONECT 3041 3034 3042 3046 CONECT 3042 3041 3043 3101 3102 CONECT 3043 3042 3044 3057 CONECT 3044 3043 3045 3054 CONECT 3045 3044 3046 3049 3053 CONECT 3046 3041 3045 3047 3048 CONECT 3047 3046 CONECT 3048 3046 CONECT 3049 3045 3050 3051 3052 CONECT 3050 3049 CONECT 3051 3049 CONECT 3052 3049 CONECT 3053 3045 CONECT 3054 3044 3055 3100 CONECT 3055 3054 3056 3099 CONECT 3056 3055 3057 3059 CONECT 3057 3043 3056 3058 CONECT 3058 3057 CONECT 3059 3056 3060 3098 CONECT 3060 3059 3061 3097 CONECT 3061 3060 3062 3066 CONECT 3062 3061 3063 3096 CONECT 3063 3062 3064 3092 CONECT 3064 3063 3065 3091 CONECT 3065 3064 3066 3068 CONECT 3066 3061 3065 3067 CONECT 3067 3066 CONECT 3068 3065 3069 3089 3090 CONECT 3069 3068 3070 3074 3088 CONECT 3070 3069 3071 3086 3087 CONECT 3071 3070 3072 3084 3085 CONECT 3072 3071 3073 3079 3083 CONECT 3073 3072 3074 3077 3078 CONECT 3074 3069 3073 3075 3076 CONECT 3075 3074 CONECT 3076 3074 CONECT 3077 3073 CONECT 3078 3073 CONECT 3079 3072 3080 3081 3082 CONECT 3080 3079 CONECT 3081 3079 CONECT 3082 3079 CONECT 3083 3072 CONECT 3084 3071 CONECT 3085 3071 CONECT 3086 3070 CONECT 3087 3070 CONECT 3088 3069 CONECT 3089 3068 CONECT 3090 3068 CONECT 3091 3064 CONECT 3092 3063 3093 3094 3095 CONECT 3093 3092 CONECT 3094 3092 CONECT 3095 3092 CONECT 3096 3062 CONECT 3097 3060 CONECT 3098 3059 CONECT 3099 3055 CONECT 3100 3054 CONECT 3101 3042 CONECT 3102 3042 CONECT 3103 3033 MASTER 0 0 0 0 0 0 0 0 3100 3 83 23 END
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Related entries of code: 5fdp
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
315aa, >3ZOS_1|Chains... at 100%
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PDBbind
315aa, >4BKJ_1|Chains... at 100%
4ckr
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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%
6few
RCSB PDB
PDBbind
321aa, >6FEW_1|Chain... at 95%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5fdp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
DDR1 receptor tyrosine kinase
Ligand Name
5WR
EC.Number
E.C.2.7.10.1
Resolution
2.25(Å)
Affinity (Kd/Ki/IC50)
IC50=309nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 5911-5916
Ligand Properties
Formula
C
2
8
H
3
3
F
3
N
6
O
Molecular Weight
526.596
Exact Mass
526.267
No. of atoms
71
No. of bonds
75
Polar Surface Area
67
LOGP Value
3.55 (
Computed with XLOGP3
)
5.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
Canonical SMILES
C[N@@H+]1CC[N@H+](CC1)Cc1cc(NC(=O)c2ccc3c(c2)CN(C[C@H]3C)c2cncnc2)cc(c1)C(F)(F)F
InChI String
InChI=1S/C28H31F3N6O/c1-19-15-37(25-13-32-18-33-14-25)17-22-11-21(3-4-26(19)22)27(38)34-24-10-20(9-23(12-24)28(29,30)31)16-36-7-5-35(2)6-8-36/h3-4,9-14,18-19H,5-8,15-17H2,1-2H3,(H,34,38)/p+2/t19-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q08345
Entrez Gene ID
NCBI Entrez Gene ID:
780
ASD
Information of known allosteric effects of PDB entries
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