Browse entries in the PDBbind-CN Database
HEADER 4XJS_COMPLEX COMPND 4XJS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 200 TRP ARG GLN GLN TRP SER GLY PRO GLY THR THR LYS ARG SEQRES 2 A 200 PHE PRO GLU THR VAL LEU ALA ARG CYS VAL LYS TYR THR SEQRES 3 A 200 GLU ILE HIS PRO GLU MET ARG HIS VAL ASP CYS GLN SER SEQRES 4 A 200 VAL TRP ASP ALA PHE LYS GLY ALA PHE ILE SER LYS HIS SEQRES 5 A 200 PRO CYS ASP ILE THR GLU GLU ASP TYR GLN PRO LEU MET SEQRES 6 A 200 LYS LEU GLY THR GLN THR VAL PRO CYS ASN LYS ILE LEU SEQRES 7 A 200 LEU TRP SER ARG ILE LYS ASP LEU ALA HIS GLN PHE THR SEQRES 8 A 200 GLN VAL GLN ARG ASP MET PHE THR LEU GLU ASP THR LEU SEQRES 9 A 200 LEU GLY TYR LEU ALA ASP ASP LEU THR TRP CYS GLY GLU SEQRES 10 A 200 PHE ALA THR SER LYS ILE ASN TYR GLN SER CYS PRO ASP SEQRES 11 A 200 TRP ARG LYS ASP CYS SER ASN ASN PRO VAL SER VAL PHE SEQRES 12 A 200 TRP LYS THR VAL SER ARG ARG PHE ALA GLU ALA ALA CYS SEQRES 13 A 200 ASP VAL VAL HIS VAL MET LEU ASP GLY SER ARG SER LYS SEQRES 14 A 200 ILE PHE ASP LYS ASP SER THR PHE GLY SER VAL GLU VAL SEQRES 15 A 200 HIS ASN LEU GLN PRO GLU LYS VAL GLN THR LEU GLU ALA SEQRES 16 A 200 TRP VAL ILE HIS GLY SEQRES 1 A 39 SER ARG ASP LEU CYS GLN ASP PRO THR ILE LYS GLU LEU SEQRES 2 A 39 GLU SER ILE ILE SER LYS ARG ASN ILE GLN PHE SER CYS SEQRES 3 A 39 LYS ASN ILE TYR ARG PRO ASP LYS PHE LEU GLN CYS VAL HET UNN A 263 39 SSBOND 1 CYS A 67 CYS A 82 SSBOND 2 CYS A 160 CYS A 173 SSBOND 3 CYS A 99 CYS A 180 SSBOND 4 CYS A 119 CYS A 201 SSBOND 5 CYS A 254 CYS A 275 ATOM 1 N TRP A 46 11.575 -35.976 -7.022 1.00 73.26 N ATOM 2 CA TRP A 46 10.737 -36.193 -5.793 1.00 71.28 C ATOM 3 C TRP A 46 10.278 -34.857 -5.165 1.00 71.37 C ATOM 4 O TRP A 46 11.109 -33.990 -4.821 1.00 70.44 O ATOM 5 CB TRP A 46 11.509 -37.011 -4.745 1.00 70.73 C ATOM 6 CG TRP A 46 10.672 -37.403 -3.581 1.00 68.52 C ATOM 7 CD1 TRP A 46 9.809 -38.453 -3.521 1.00 70.58 C ATOM 8 CD2 TRP A 46 10.585 -36.739 -2.308 1.00 66.18 C ATOM 9 NE1 TRP A 46 9.187 -38.494 -2.287 1.00 70.18 N ATOM 10 CE2 TRP A 46 9.646 -37.452 -1.524 1.00 67.03 C ATOM 11 CE3 TRP A 46 11.210 -35.620 -1.750 1.00 63.33 C ATOM 12 CZ2 TRP A 46 9.328 -37.086 -0.205 1.00 63.78 C ATOM 13 CZ3 TRP A 46 10.892 -35.263 -0.436 1.00 61.01 C ATOM 14 CH2 TRP A 46 9.957 -35.993 0.314 1.00 60.83 C ATOM 15 HE1 TRP A 46 8.485 -39.200 -1.987 1.00 0.00 H ATOM 16 HN3 TRP A 46 12.421 -35.426 -6.771 1.00 0.00 H ATOM 17 HN2 TRP A 46 11.020 -35.456 -7.731 1.00 0.00 H ATOM 18 HN1 TRP A 46 11.862 -36.897 -7.412 1.00 0.00 H ATOM 19 N ARG A 47 8.955 -34.711 -5.016 1.00 70.05 N ATOM 20 CA ARG A 47 8.335 -33.539 -4.367 1.00 65.71 C ATOM 21 C ARG A 47 7.436 -33.983 -3.187 1.00 63.07 C ATOM 22 O ARG A 47 6.558 -34.830 -3.332 1.00 62.25 O ATOM 23 CB ARG A 47 7.534 -32.704 -5.388 1.00 63.01 C ATOM 24 H ARG A 47 8.332 -35.462 -5.376 1.00 0.00 H ATOM 25 N GLN A 48 7.677 -33.385 -2.027 1.00 60.24 N ATOM 26 CA GLN A 48 6.986 -33.723 -0.781 1.00 58.15 C ATOM 27 C GLN A 48 5.544 -33.234 -0.772 1.00 55.86 C ATOM 28 O GLN A 48 5.260 -32.119 -1.194 1.00 53.64 O ATOM 29 CB GLN A 48 7.734 -33.075 0.380 1.00 56.36 C ATOM 30 CG GLN A 48 7.416 -33.622 1.750 1.00 55.46 C ATOM 31 CD GLN A 48 8.341 -33.043 2.803 1.00 55.29 C ATOM 32 OE1 GLN A 48 8.865 -31.931 2.650 1.00 52.70 O ATOM 33 NE2 GLN A 48 8.560 -33.796 3.877 1.00 57.92 N ATOM 34 HE22 GLN A 48 8.099 -34.724 3.964 1.00 0.00 H ATOM 35 HE21 GLN A 48 9.192 -33.457 4.630 1.00 0.00 H ATOM 36 H GLN A 48 8.397 -32.635 -2.001 1.00 0.00 H ATOM 37 N GLN A 49 4.638 -34.065 -0.269 1.00 55.84 N ATOM 38 CA GLN A 49 3.219 -33.744 -0.296 1.00 55.55 C ATOM 39 C GLN A 49 2.609 -33.793 1.108 1.00 54.43 C ATOM 40 O GLN A 49 2.627 -34.830 1.787 1.00 56.12 O ATOM 41 CB GLN A 49 2.487 -34.693 -1.244 1.00 58.92 C ATOM 42 CG GLN A 49 1.153 -34.151 -1.747 1.00 60.92 C ATOM 43 CD GLN A 49 0.382 -35.156 -2.597 1.00 64.86 C ATOM 44 OE1 GLN A 49 0.663 -35.328 -3.789 1.00 66.21 O ATOM 45 NE2 GLN A 49 -0.610 -35.820 -1.988 1.00 66.01 N ATOM 46 HE22 GLN A 49 -0.813 -35.645 -0.983 1.00 0.00 H ATOM 47 HE21 GLN A 49 -1.177 -36.510 -2.520 1.00 0.00 H ATOM 48 H GLN A 49 4.949 -34.963 0.153 1.00 0.00 H ATOM 49 N TRP A 50 2.074 -32.658 1.543 1.00 51.21 N ATOM 50 CA TRP A 50 1.468 -32.551 2.873 1.00 49.90 C ATOM 51 C TRP A 50 0.004 -32.930 2.809 1.00 49.21 C ATOM 52 O TRP A 50 -0.560 -33.090 1.732 1.00 49.65 O ATOM 53 CB TRP A 50 1.626 -31.121 3.407 1.00 47.84 C ATOM 54 CG TRP A 50 3.077 -30.675 3.487 1.00 46.73 C ATOM 55 CD1 TRP A 50 3.684 -29.746 2.714 1.00 45.31 C ATOM 56 CD2 TRP A 50 4.090 -31.175 4.380 1.00 47.18 C ATOM 57 NE1 TRP A 50 5.002 -29.611 3.078 1.00 44.61 N ATOM 58 CE2 TRP A 50 5.276 -30.484 4.092 1.00 45.94 C ATOM 59 CE3 TRP A 50 4.102 -32.139 5.396 1.00 49.53 C ATOM 60 CZ2 TRP A 50 6.464 -30.716 4.777 1.00 47.99 C ATOM 61 CZ3 TRP A 50 5.288 -32.373 6.077 1.00 50.98 C ATOM 62 CH2 TRP A 50 6.452 -31.659 5.767 1.00 50.11 C ATOM 63 HE1 TRP A 50 5.682 -28.950 2.650 1.00 0.00 H ATOM 64 H TRP A 50 2.085 -31.823 0.923 1.00 0.00 H ATOM 65 N SER A 51 -0.612 -33.068 3.965 1.00 49.04 N ATOM 66 CA SER A 51 -2.005 -33.474 4.033 1.00 51.30 C ATOM 67 C SER A 51 -2.923 -32.288 3.868 1.00 50.86 C ATOM 68 O SER A 51 -4.052 -32.437 3.444 1.00 52.80 O ATOM 69 CB SER A 51 -2.299 -34.142 5.370 1.00 52.99 C ATOM 70 OG SER A 51 -1.417 -35.228 5.592 1.00 54.53 O ATOM 71 HG SER A 51 -0.484 -34.898 5.597 1.00 0.00 H ATOM 72 H SER A 51 -0.091 -32.883 4.846 1.00 0.00 H ATOM 73 N GLY A 52 -2.446 -31.103 4.218 1.00 50.45 N ATOM 74 CA GLY A 52 -3.268 -29.904 4.134 1.00 50.18 C ATOM 75 C GLY A 52 -3.270 -29.263 2.761 1.00 49.84 C ATOM 76 O GLY A 52 -2.398 -29.545 1.931 1.00 48.68 O ATOM 77 H GLY A 52 -1.466 -31.027 4.559 1.00 0.00 H ATOM 78 N PRO A 53 -4.247 -28.371 2.517 1.00 51.11 N ATOM 79 CA PRO A 53 -4.314 -27.636 1.256 1.00 50.58 C ATOM 80 C PRO A 53 -3.148 -26.697 1.147 1.00 47.66 C ATOM 81 O PRO A 53 -2.657 -26.190 2.162 1.00 45.95 O ATOM 82 CB PRO A 53 -5.604 -26.803 1.377 1.00 51.29 C ATOM 83 CG PRO A 53 -6.320 -27.324 2.573 1.00 52.28 C ATOM 84 CD PRO A 53 -5.261 -27.891 3.472 1.00 51.62 C ATOM 85 N GLY A 54 -2.732 -26.447 -0.083 1.00 46.60 N ATOM 86 CA GLY A 54 -1.579 -25.598 -0.344 1.00 44.46 C ATOM 87 C GLY A 54 -1.826 -24.117 -0.125 1.00 42.39 C ATOM 88 O GLY A 54 -2.911 -23.699 0.279 1.00 40.69 O ATOM 89 H GLY A 54 -3.242 -26.868 -0.885 1.00 0.00 H ATOM 90 N THR A 55 -0.784 -23.332 -0.393 1.00 42.45 N ATOM 91 CA THR A 55 -0.855 -21.881 -0.342 1.00 40.23 C ATOM 92 C THR A 55 -1.924 -21.391 -1.315 1.00 40.85 C ATOM 93 O THR A 55 -2.061 -21.920 -2.419 1.00 40.11 O ATOM 94 CB THR A 55 0.500 -21.261 -0.689 1.00 38.85 C ATOM 95 OG1 THR A 55 1.478 -21.727 0.251 1.00 37.62 O ATOM 96 CG2 THR A 55 0.426 -19.732 -0.662 1.00 38.56 C ATOM 97 HG1 THR A 55 1.538 -22.714 0.201 1.00 0.00 H ATOM 98 H THR A 55 0.120 -23.777 -0.650 1.00 0.00 H ATOM 99 N THR A 56 -2.696 -20.402 -0.869 1.00 40.71 N ATOM 100 CA THR A 56 -3.757 -19.819 -1.671 1.00 41.53 C ATOM 101 C THR A 56 -3.159 -19.171 -2.910 1.00 42.37 C ATOM 102 O THR A 56 -2.114 -18.555 -2.825 1.00 41.22 O ATOM 103 CB THR A 56 -4.492 -18.740 -0.875 1.00 40.46 C ATOM 104 OG1 THR A 56 -4.803 -19.234 0.433 1.00 38.99 O ATOM 105 CG2 THR A 56 -5.755 -18.300 -1.601 1.00 41.12 C ATOM 106 HG1 THR A 56 -5.380 -20.035 0.354 1.00 0.00 H ATOM 107 H THR A 56 -2.533 -20.033 0.090 1.00 0.00 H ATOM 108 N LYS A 57 -3.824 -19.302 -4.057 1.00 45.88 N ATOM 109 CA LYS A 57 -3.324 -18.688 -5.299 1.00 47.55 C ATOM 110 C LYS A 57 -3.276 -17.191 -5.115 1.00 46.23 C ATOM 111 O LYS A 57 -4.111 -16.618 -4.414 1.00 47.22 O ATOM 112 CB LYS A 57 -4.184 -19.009 -6.533 1.00 49.82 C ATOM 113 CG LYS A 57 -4.391 -20.488 -6.847 1.00 53.67 C ATOM 114 CD LYS A 57 -3.113 -21.286 -7.161 1.00 56.81 C ATOM 115 CE LYS A 57 -3.451 -22.759 -7.471 1.00 59.88 C ATOM 116 NZ LYS A 57 -2.302 -23.622 -7.880 1.00 60.39 N ATOM 117 HZ1 LYS A 57 -1.870 -23.236 -8.744 1.00 0.00 H ATOM 118 HZ2 LYS A 57 -1.596 -23.641 -7.117 1.00 0.00 H ATOM 119 HZ3 LYS A 57 -2.643 -24.587 -8.063 1.00 0.00 H ATOM 120 H LYS A 57 -4.710 -19.846 -4.076 1.00 0.00 H ATOM 121 N ARG A 58 -2.276 -16.573 -5.729 1.00 44.71 N ATOM 122 CA ARG A 58 -2.119 -15.129 -5.714 1.00 44.41 C ATOM 123 C ARG A 58 -1.911 -14.606 -4.277 1.00 42.66 C ATOM 124 O ARG A 58 -2.157 -13.443 -3.974 1.00 42.23 O ATOM 125 CB ARG A 58 -3.304 -14.457 -6.439 1.00 45.71 C ATOM 126 CG ARG A 58 -3.356 -14.711 -7.945 1.00 46.94 C ATOM 127 CD ARG A 58 -4.699 -14.305 -8.557 1.00 49.07 C ATOM 128 H ARG A 58 -1.576 -17.146 -6.242 1.00 0.00 H ATOM 129 N PHE A 59 -1.401 -15.474 -3.410 1.00 42.49 N ATOM 130 CA PHE A 59 -1.217 -15.143 -1.997 1.00 42.30 C ATOM 131 C PHE A 59 -0.297 -13.958 -1.776 1.00 42.05 C ATOM 132 O PHE A 59 -0.639 -13.078 -0.996 1.00 42.04 O ATOM 133 CB PHE A 59 -0.711 -16.346 -1.205 1.00 41.94 C ATOM 134 CG PHE A 59 -0.456 -16.055 0.248 1.00 43.08 C ATOM 135 CD1 PHE A 59 -1.506 -15.796 1.118 1.00 43.33 C ATOM 136 CD2 PHE A 59 0.838 -16.062 0.763 1.00 43.80 C ATOM 137 CE1 PHE A 59 -1.263 -15.539 2.469 1.00 42.40 C ATOM 138 CE2 PHE A 59 1.084 -15.811 2.115 1.00 41.36 C ATOM 139 CZ PHE A 59 0.032 -15.553 2.968 1.00 40.72 C ATOM 140 H PHE A 59 -1.124 -16.418 -3.746 1.00 0.00 H ATOM 141 N PRO A 60 0.862 -13.919 -2.462 1.00 41.77 N ATOM 142 CA PRO A 60 1.743 -12.722 -2.348 1.00 40.59 C ATOM 143 C PRO A 60 1.065 -11.451 -2.832 1.00 39.83 C ATOM 144 O PRO A 60 1.087 -10.414 -2.171 1.00 38.66 O ATOM 145 CB PRO A 60 2.924 -13.068 -3.253 1.00 41.63 C ATOM 146 CG PRO A 60 2.909 -14.572 -3.342 1.00 41.90 C ATOM 147 CD PRO A 60 1.473 -14.983 -3.281 1.00 41.12 C ATOM 148 N GLU A 61 0.442 -11.562 -3.993 1.00 40.78 N ATOM 149 CA GLU A 61 -0.262 -10.429 -4.561 1.00 41.49 C ATOM 150 C GLU A 61 -1.405 -10.004 -3.625 1.00 40.72 C ATOM 151 O GLU A 61 -1.638 -8.811 -3.434 1.00 39.52 O ATOM 152 CB GLU A 61 -0.744 -10.761 -5.975 1.00 43.13 C ATOM 153 CG GLU A 61 0.396 -10.932 -6.988 1.00 44.18 C ATOM 154 CD GLU A 61 0.925 -12.371 -7.108 1.00 43.86 C ATOM 155 OE1 GLU A 61 0.224 -13.208 -7.718 1.00 44.06 O ATOM 156 OE2 GLU A 61 2.046 -12.671 -6.629 1.00 42.36 O ATOM 157 H GLU A 61 0.457 -12.469 -4.502 1.00 0.00 H ATOM 158 N THR A 62 -2.062 -10.981 -2.993 1.00 40.42 N ATOM 159 CA THR A 62 -3.196 -10.735 -2.101 1.00 39.98 C ATOM 160 C THR A 62 -2.827 -9.990 -0.809 1.00 39.81 C ATOM 161 O THR A 62 -3.362 -8.931 -0.505 1.00 39.38 O ATOM 162 CB THR A 62 -3.898 -12.064 -1.776 1.00 39.34 C ATOM 163 OG1 THR A 62 -4.560 -12.531 -2.953 1.00 39.60 O ATOM 164 CG2 THR A 62 -4.930 -11.914 -0.674 1.00 38.92 C ATOM 165 HG1 THR A 62 -3.894 -12.669 -3.672 1.00 0.00 H ATOM 166 H THR A 62 -1.753 -11.963 -3.142 1.00 0.00 H ATOM 167 N VAL A 63 -1.908 -10.558 -0.050 1.00 40.38 N ATOM 168 CA VAL A 63 -1.471 -9.957 1.205 1.00 40.32 C ATOM 169 C VAL A 63 -1.005 -8.534 0.992 1.00 40.87 C ATOM 170 O VAL A 63 -1.317 -7.644 1.793 1.00 40.78 O ATOM 171 CB VAL A 63 -0.312 -10.751 1.836 1.00 40.51 C ATOM 172 CG1 VAL A 63 0.354 -9.959 2.981 1.00 40.57 C ATOM 173 CG2 VAL A 63 -0.812 -12.123 2.301 1.00 39.87 C ATOM 174 H VAL A 63 -1.485 -11.458 -0.355 1.00 0.00 H ATOM 175 N LEU A 64 -0.238 -8.328 -0.072 1.00 40.54 N ATOM 176 CA LEU A 64 0.244 -6.990 -0.374 1.00 41.59 C ATOM 177 C LEU A 64 -0.925 -6.055 -0.620 1.00 40.62 C ATOM 178 O LEU A 64 -0.993 -4.976 -0.032 1.00 39.53 O ATOM 179 CB LEU A 64 1.175 -7.025 -1.578 1.00 44.00 C ATOM 180 CG LEU A 64 1.822 -5.707 -2.019 1.00 46.01 C ATOM 181 CD1 LEU A 64 2.629 -5.048 -0.899 1.00 45.73 C ATOM 182 CD2 LEU A 64 2.689 -5.994 -3.247 1.00 46.92 C ATOM 183 H LEU A 64 0.018 -9.124 -0.690 1.00 0.00 H ATOM 184 N ALA A 65 -1.858 -6.497 -1.459 1.00 40.02 N ATOM 185 CA ALA A 65 -3.040 -5.697 -1.769 1.00 41.10 C ATOM 186 C ALA A 65 -3.909 -5.406 -0.541 1.00 41.19 C ATOM 187 O ALA A 65 -4.470 -4.323 -0.414 1.00 42.79 O ATOM 188 CB ALA A 65 -3.858 -6.378 -2.834 1.00 41.38 C ATOM 189 H ALA A 65 -1.743 -7.431 -1.903 1.00 0.00 H ATOM 190 N ARG A 66 -4.012 -6.372 0.361 1.00 40.70 N ATOM 191 CA ARG A 66 -4.743 -6.181 1.623 1.00 41.24 C ATOM 192 C ARG A 66 -4.106 -5.109 2.477 1.00 39.99 C ATOM 193 O ARG A 66 -4.798 -4.281 3.069 1.00 40.15 O ATOM 194 CB ARG A 66 -4.813 -7.489 2.433 1.00 40.51 C ATOM 195 CG ARG A 66 -5.720 -8.542 1.813 1.00 40.72 C ATOM 196 CD ARG A 66 -5.848 -9.723 2.750 1.00 40.46 C ATOM 197 NE ARG A 66 -6.858 -10.671 2.303 1.00 40.74 N ATOM 198 CZ ARG A 66 -7.280 -11.703 3.020 1.00 39.97 C ATOM 199 NH1 ARG A 66 -6.789 -11.927 4.230 1.00 38.68 N ATOM 200 NH2 ARG A 66 -8.205 -12.508 2.528 1.00 41.58 N ATOM 201 HE ARG A 66 -7.275 -10.530 1.361 1.00 0.00 H ATOM 202 HH12 ARG A 66 -7.126 -12.739 4.786 1.00 0.00 H ATOM 203 HH11 ARG A 66 -6.067 -11.291 4.624 1.00 0.00 H ATOM 204 HH22 ARG A 66 -8.539 -13.319 3.087 1.00 0.00 H ATOM 205 HH21 ARG A 66 -8.599 -12.331 1.582 1.00 0.00 H ATOM 206 H ARG A 66 -3.563 -7.291 0.171 1.00 0.00 H ATOM 207 N CYS A 67 -2.782 -5.143 2.537 1.00 39.01 N ATOM 208 CA CYS A 67 -2.033 -4.144 3.266 1.00 39.61 C ATOM 209 C CYS A 67 -2.269 -2.758 2.672 1.00 40.23 C ATOM 210 O CYS A 67 -2.515 -1.801 3.406 1.00 40.67 O ATOM 211 CB CYS A 67 -0.542 -4.485 3.287 1.00 39.60 C ATOM 212 SG CYS A 67 0.457 -3.311 4.232 1.00 41.43 S ATOM 213 H CYS A 67 -2.271 -5.906 2.049 1.00 0.00 H ATOM 214 N VAL A 68 -2.224 -2.652 1.352 1.00 39.81 N ATOM 215 CA VAL A 68 -2.468 -1.366 0.708 1.00 41.67 C ATOM 216 C VAL A 68 -3.883 -0.846 0.978 1.00 42.02 C ATOM 217 O VAL A 68 -4.079 0.337 1.188 1.00 42.55 O ATOM 218 CB VAL A 68 -2.182 -1.424 -0.810 1.00 42.44 C ATOM 219 CG1 VAL A 68 -2.664 -0.162 -1.505 1.00 44.18 C ATOM 220 CG2 VAL A 68 -0.690 -1.591 -1.044 1.00 41.98 C ATOM 221 H VAL A 68 -2.014 -3.490 0.772 1.00 0.00 H ATOM 222 N LYS A 69 -4.860 -1.739 0.981 1.00 42.13 N ATOM 223 CA LYS A 69 -6.251 -1.362 1.222 1.00 43.10 C ATOM 224 C LYS A 69 -6.448 -0.925 2.661 1.00 43.95 C ATOM 225 O LYS A 69 -6.986 0.136 2.919 1.00 46.28 O ATOM 226 CB LYS A 69 -7.171 -2.535 0.894 1.00 42.31 C ATOM 227 CG LYS A 69 -8.653 -2.264 1.038 1.00 42.71 C ATOM 228 CD LYS A 69 -9.451 -3.360 0.344 1.00 43.31 C ATOM 229 CE LYS A 69 -10.914 -3.329 0.759 1.00 45.03 C ATOM 230 NZ LYS A 69 -11.826 -4.057 -0.167 1.00 46.23 N ATOM 231 HZ1 LYS A 69 -11.767 -3.632 -1.114 1.00 0.00 H ATOM 232 HZ2 LYS A 69 -11.543 -5.056 -0.216 1.00 0.00 H ATOM 233 HZ3 LYS A 69 -12.802 -3.989 0.185 1.00 0.00 H ATOM 234 H LYS A 69 -4.631 -2.738 0.807 1.00 0.00 H ATOM 235 N TYR A 70 -6.007 -1.746 3.602 1.00 43.17 N ATOM 236 CA TYR A 70 -6.131 -1.417 5.008 1.00 43.65 C ATOM 237 C TYR A 70 -5.537 -0.040 5.335 1.00 44.80 C ATOM 238 O TYR A 70 -6.116 0.728 6.071 1.00 44.47 O ATOM 239 CB TYR A 70 -5.445 -2.500 5.839 1.00 42.97 C ATOM 240 CG TYR A 70 -5.817 -2.482 7.306 1.00 43.61 C ATOM 241 CD1 TYR A 70 -5.087 -1.732 8.211 1.00 43.97 C ATOM 242 CD2 TYR A 70 -6.903 -3.212 7.790 1.00 43.35 C ATOM 243 CE1 TYR A 70 -5.406 -1.720 9.560 1.00 43.92 C ATOM 244 CE2 TYR A 70 -7.236 -3.193 9.140 1.00 43.84 C ATOM 245 CZ TYR A 70 -6.474 -2.441 10.025 1.00 43.75 C ATOM 246 OH TYR A 70 -6.772 -2.387 11.374 1.00 42.67 O ATOM 247 HH TYR A 70 -6.728 -3.299 11.757 1.00 0.00 H ATOM 248 H TYR A 70 -5.563 -2.645 3.326 1.00 0.00 H ATOM 249 N THR A 71 -4.377 0.263 4.778 1.00 47.54 N ATOM 250 CA THR A 71 -3.703 1.536 5.046 1.00 50.53 C ATOM 251 C THR A 71 -4.515 2.708 4.506 1.00 53.56 C ATOM 252 O THR A 71 -4.688 3.718 5.188 1.00 55.72 O ATOM 253 CB THR A 71 -2.271 1.587 4.440 1.00 50.94 C ATOM 254 OG1 THR A 71 -2.333 1.399 3.025 1.00 50.99 O ATOM 255 CG2 THR A 71 -1.330 0.530 5.065 1.00 48.63 C ATOM 256 HG1 THR A 71 -2.740 0.518 2.828 1.00 0.00 H ATOM 257 H THR A 71 -3.931 -0.420 4.133 1.00 0.00 H ATOM 258 N GLU A 72 -5.010 2.552 3.279 1.00 56.77 N ATOM 259 CA GLU A 72 -5.987 3.486 2.662 1.00 60.23 C ATOM 260 C GLU A 72 -7.232 3.816 3.511 1.00 61.42 C ATOM 261 O GLU A 72 -7.688 4.946 3.486 1.00 64.31 O ATOM 262 CB GLU A 72 -6.481 2.939 1.307 1.00 60.30 C ATOM 263 CG GLU A 72 -5.445 3.021 0.188 1.00 61.31 C ATOM 264 CD GLU A 72 -5.724 2.088 -0.994 1.00 61.33 C ATOM 265 OE1 GLU A 72 -6.627 1.203 -0.914 1.00 58.90 O ATOM 266 OE2 GLU A 72 -5.012 2.249 -2.014 1.00 59.88 O ATOM 267 H GLU A 72 -4.695 1.732 2.723 1.00 0.00 H ATOM 268 N ILE A 73 -7.780 2.839 4.241 1.00 61.47 N ATOM 269 CA ILE A 73 -9.061 3.016 4.970 1.00 62.98 C ATOM 270 C ILE A 73 -8.925 3.243 6.483 1.00 63.20 C ATOM 271 O ILE A 73 -9.826 3.809 7.092 1.00 65.66 O ATOM 272 CB ILE A 73 -10.055 1.856 4.704 1.00 62.63 C ATOM 273 CG1 ILE A 73 -9.495 0.515 5.189 1.00 62.29 C ATOM 274 CG2 ILE A 73 -10.396 1.792 3.218 1.00 63.61 C ATOM 275 CD1 ILE A 73 -10.378 -0.698 4.920 1.00 62.16 C ATOM 276 H ILE A 73 -7.292 1.923 4.300 1.00 0.00 H ATOM 277 N HIS A 74 -7.818 2.799 7.076 1.00 61.88 N ATOM 278 CA HIS A 74 -7.461 3.147 8.452 1.00 61.85 C ATOM 279 C HIS A 74 -6.339 4.181 8.431 1.00 63.39 C ATOM 280 O HIS A 74 -5.175 3.825 8.406 1.00 62.12 O ATOM 281 CB HIS A 74 -7.010 1.906 9.203 1.00 61.20 C ATOM 282 CG HIS A 74 -8.101 0.907 9.416 1.00 62.39 C ATOM 283 ND1 HIS A 74 -8.294 -0.172 8.580 1.00 62.81 N ATOM 284 CD2 HIS A 74 -9.060 0.821 10.371 1.00 63.06 C ATOM 285 CE1 HIS A 74 -9.325 -0.881 9.008 1.00 62.64 C ATOM 286 NE2 HIS A 74 -9.803 -0.301 10.095 1.00 63.95 N ATOM 287 H HIS A 74 -7.180 2.178 6.538 1.00 0.00 H ATOM 288 N PRO A 75 -6.687 5.474 8.436 1.00 68.56 N ATOM 289 CA PRO A 75 -5.729 6.586 8.245 1.00 71.61 C ATOM 290 C PRO A 75 -4.480 6.593 9.154 1.00 70.99 C ATOM 291 O PRO A 75 -3.431 7.116 8.770 1.00 71.45 O ATOM 292 CB PRO A 75 -6.579 7.829 8.550 1.00 73.10 C ATOM 293 CG PRO A 75 -7.984 7.399 8.330 1.00 72.62 C ATOM 294 CD PRO A 75 -8.038 5.971 8.751 1.00 69.55 C ATOM 295 N GLU A 76 -4.612 6.040 10.351 1.00 69.60 N ATOM 296 CA GLU A 76 -3.512 5.977 11.314 1.00 70.58 C ATOM 297 C GLU A 76 -2.386 4.998 10.885 1.00 67.97 C ATOM 298 O GLU A 76 -1.257 5.070 11.372 1.00 67.22 O ATOM 299 CB GLU A 76 -4.056 5.636 12.724 1.00 71.60 C ATOM 300 CG GLU A 76 -4.778 4.288 12.876 1.00 70.19 C ATOM 301 CD GLU A 76 -6.232 4.298 12.405 1.00 72.39 C ATOM 302 OE1 GLU A 76 -6.633 5.246 11.696 1.00 75.03 O ATOM 303 OE2 GLU A 76 -6.978 3.344 12.727 1.00 73.07 O ATOM 304 H GLU A 76 -5.533 5.635 10.616 1.00 0.00 H ATOM 305 N MET A 77 -2.706 4.088 9.969 1.00 66.24 N ATOM 306 CA MET A 77 -1.729 3.152 9.400 1.00 63.29 C ATOM 307 C MET A 77 -1.151 3.667 8.073 1.00 62.30 C ATOM 308 O MET A 77 -0.303 3.015 7.466 1.00 59.26 O ATOM 309 CB MET A 77 -2.403 1.792 9.162 1.00 61.27 C ATOM 310 CG MET A 77 -3.140 1.221 10.372 1.00 60.69 C ATOM 311 SD MET A 77 -2.113 0.716 11.795 1.00 63.23 S ATOM 312 CE MET A 77 -1.288 -0.749 11.188 1.00 61.54 C ATOM 313 H MET A 77 -3.692 4.038 9.642 1.00 0.00 H ATOM 314 N ARG A 78 -1.603 4.849 7.650 1.00 64.77 N ATOM 315 CA ARG A 78 -1.332 5.411 6.317 1.00 65.39 C ATOM 316 C ARG A 78 0.121 5.277 5.837 1.00 65.23 C ATOM 317 O ARG A 78 0.363 5.048 4.645 1.00 63.33 O ATOM 318 CB ARG A 78 -1.758 6.895 6.274 1.00 67.22 C ATOM 319 H ARG A 78 -2.185 5.410 8.305 1.00 0.00 H ATOM 320 N HIS A 79 1.076 5.419 6.757 1.00 66.12 N ATOM 321 CA HIS A 79 2.502 5.440 6.393 1.00 67.23 C ATOM 322 C HIS A 79 3.258 4.116 6.705 1.00 63.68 C ATOM 323 O HIS A 79 4.493 4.064 6.690 1.00 65.39 O ATOM 324 CB HIS A 79 3.183 6.683 7.010 1.00 70.15 C ATOM 325 CG HIS A 79 2.519 7.978 6.638 1.00 72.87 C ATOM 326 ND1 HIS A 79 1.801 8.740 7.541 1.00 75.13 N ATOM 327 CD2 HIS A 79 2.446 8.634 5.455 1.00 73.89 C ATOM 328 CE1 HIS A 79 1.327 9.816 6.935 1.00 76.10 C ATOM 329 NE2 HIS A 79 1.702 9.774 5.668 1.00 76.73 N ATOM 330 H HIS A 79 0.806 5.517 7.757 1.00 0.00 H ATOM 331 N VAL A 80 2.508 3.046 6.941 1.00 58.66 N ATOM 332 CA VAL A 80 3.070 1.705 6.945 1.00 55.76 C ATOM 333 C VAL A 80 3.540 1.275 5.551 1.00 54.90 C ATOM 334 O VAL A 80 2.766 1.321 4.600 1.00 55.58 O ATOM 335 CB VAL A 80 2.022 0.703 7.425 1.00 54.31 C ATOM 336 CG1 VAL A 80 2.453 -0.719 7.110 1.00 52.64 C ATOM 337 CG2 VAL A 80 1.795 0.886 8.918 1.00 55.30 C ATOM 338 H VAL A 80 1.492 3.170 7.128 1.00 0.00 H ATOM 339 N ASP A 81 4.795 0.833 5.441 1.00 53.82 N ATOM 340 CA ASP A 81 5.359 0.394 4.160 1.00 51.76 C ATOM 341 C ASP A 81 4.965 -1.064 3.893 1.00 50.54 C ATOM 342 O ASP A 81 5.514 -1.990 4.480 1.00 51.17 O ATOM 343 CB ASP A 81 6.876 0.549 4.162 1.00 51.76 C ATOM 344 CG ASP A 81 7.497 0.223 2.826 1.00 52.89 C ATOM 345 OD1 ASP A 81 6.795 -0.223 1.906 1.00 52.77 O ATOM 346 OD2 ASP A 81 8.711 0.406 2.681 1.00 56.04 O ATOM 347 H ASP A 81 5.392 0.799 6.292 1.00 0.00 H ATOM 348 N CYS A 82 4.009 -1.256 2.995 1.00 49.17 N ATOM 349 CA CYS A 82 3.435 -2.569 2.757 1.00 47.57 C ATOM 350 C CYS A 82 4.393 -3.553 2.105 1.00 48.76 C ATOM 351 O CYS A 82 4.221 -4.768 2.257 1.00 48.00 O ATOM 352 CB CYS A 82 2.170 -2.441 1.913 1.00 46.83 C ATOM 353 SG CYS A 82 0.778 -1.819 2.874 1.00 45.96 S ATOM 354 H CYS A 82 3.660 -0.444 2.446 1.00 0.00 H ATOM 355 N GLN A 83 5.387 -3.044 1.375 1.00 50.21 N ATOM 356 CA GLN A 83 6.360 -3.920 0.724 1.00 50.66 C ATOM 357 C GLN A 83 7.293 -4.466 1.801 1.00 50.99 C ATOM 358 O GLN A 83 7.750 -5.612 1.725 1.00 49.65 O ATOM 359 CB GLN A 83 7.127 -3.173 -0.372 1.00 52.02 C ATOM 360 CG GLN A 83 8.180 -3.987 -1.110 1.00 53.24 C ATOM 361 CD GLN A 83 7.620 -5.230 -1.806 1.00 53.25 C ATOM 362 OE1 GLN A 83 6.719 -5.145 -2.644 1.00 52.72 O ATOM 363 NE2 GLN A 83 8.172 -6.394 -1.470 1.00 52.96 N ATOM 364 HE22 GLN A 83 8.930 -6.424 -0.758 1.00 0.00 H ATOM 365 HE21 GLN A 83 7.845 -7.273 -1.919 1.00 0.00 H ATOM 366 H GLN A 83 5.471 -2.013 1.268 1.00 0.00 H ATOM 367 N SER A 84 7.555 -3.643 2.812 1.00 51.02 N ATOM 368 CA SER A 84 8.374 -4.064 3.937 1.00 50.95 C ATOM 369 C SER A 84 7.619 -5.080 4.763 1.00 48.89 C ATOM 370 O SER A 84 8.205 -6.033 5.268 1.00 49.86 O ATOM 371 CB SER A 84 8.755 -2.873 4.822 1.00 52.18 C ATOM 372 OG SER A 84 9.601 -1.982 4.136 1.00 52.91 O ATOM 373 HG SER A 84 9.137 -1.643 3.330 1.00 0.00 H ATOM 374 H SER A 84 7.166 -2.679 2.798 1.00 0.00 H ATOM 375 N VAL A 85 6.319 -4.849 4.909 1.00 47.09 N ATOM 376 CA VAL A 85 5.419 -5.757 5.636 1.00 45.50 C ATOM 377 C VAL A 85 5.324 -7.127 4.969 1.00 43.01 C ATOM 378 O VAL A 85 5.480 -8.158 5.620 1.00 41.32 O ATOM 379 CB VAL A 85 4.003 -5.143 5.765 1.00 45.80 C ATOM 380 CG1 VAL A 85 2.970 -6.187 6.121 1.00 44.44 C ATOM 381 CG2 VAL A 85 4.001 -4.030 6.806 1.00 47.49 C ATOM 382 H VAL A 85 5.919 -3.986 4.490 1.00 0.00 H ATOM 383 N TRP A 86 5.063 -7.131 3.668 1.00 43.11 N ATOM 384 CA TRP A 86 5.085 -8.365 2.905 1.00 41.68 C ATOM 385 C TRP A 86 6.438 -9.042 3.029 1.00 42.86 C ATOM 386 O TRP A 86 6.504 -10.241 3.275 1.00 44.98 O ATOM 387 CB TRP A 86 4.799 -8.127 1.436 1.00 42.33 C ATOM 388 CG TRP A 86 5.139 -9.338 0.611 1.00 43.33 C ATOM 389 CD1 TRP A 86 6.066 -9.428 -0.398 1.00 44.19 C ATOM 390 CD2 TRP A 86 4.590 -10.646 0.762 1.00 43.17 C ATOM 391 NE1 TRP A 86 6.097 -10.699 -0.899 1.00 43.13 N ATOM 392 CE2 TRP A 86 5.203 -11.469 -0.201 1.00 43.23 C ATOM 393 CE3 TRP A 86 3.630 -11.204 1.619 1.00 42.78 C ATOM 394 CZ2 TRP A 86 4.890 -12.823 -0.328 1.00 43.54 C ATOM 395 CZ3 TRP A 86 3.319 -12.551 1.488 1.00 42.32 C ATOM 396 CH2 TRP A 86 3.951 -13.344 0.525 1.00 42.83 C ATOM 397 HE1 TRP A 86 6.699 -11.028 -1.681 1.00 0.00 H ATOM 398 H TRP A 86 4.839 -6.236 3.188 1.00 0.00 H ATOM 399 N ASP A 87 7.522 -8.292 2.864 1.00 44.14 N ATOM 400 CA ASP A 87 8.851 -8.901 2.918 1.00 45.39 C ATOM 401 C ASP A 87 9.102 -9.564 4.280 1.00 45.09 C ATOM 402 O ASP A 87 9.775 -10.587 4.354 1.00 47.15 O ATOM 403 CB ASP A 87 9.950 -7.885 2.569 1.00 47.55 C ATOM 404 CG ASP A 87 10.039 -7.597 1.056 1.00 48.28 C ATOM 405 OD1 ASP A 87 9.772 -8.517 0.248 1.00 47.60 O ATOM 406 OD2 ASP A 87 10.379 -6.450 0.671 1.00 48.24 O ATOM 407 H ASP A 87 7.426 -7.270 2.696 1.00 0.00 H ATOM 408 N ALA A 88 8.528 -9.005 5.340 1.00 42.97 N ATOM 409 CA ALA A 88 8.694 -9.542 6.675 1.00 41.82 C ATOM 410 C ALA A 88 7.819 -10.773 6.888 1.00 40.57 C ATOM 411 O ALA A 88 8.183 -11.687 7.642 1.00 38.92 O ATOM 412 CB ALA A 88 8.358 -8.470 7.694 1.00 42.41 C ATOM 413 H ALA A 88 7.942 -8.156 5.207 1.00 0.00 H ATOM 414 N PHE A 89 6.653 -10.776 6.241 1.00 39.66 N ATOM 415 CA PHE A 89 5.745 -11.934 6.262 1.00 39.26 C ATOM 416 C PHE A 89 6.464 -13.085 5.567 1.00 40.45 C ATOM 417 O PHE A 89 6.727 -14.127 6.161 1.00 40.35 O ATOM 418 CB PHE A 89 4.428 -11.606 5.540 1.00 37.94 C ATOM 419 CG PHE A 89 3.240 -12.435 5.972 1.00 37.07 C ATOM 420 CD1 PHE A 89 3.363 -13.761 6.309 1.00 37.57 C ATOM 421 CD2 PHE A 89 1.971 -11.880 5.976 1.00 37.35 C ATOM 422 CE1 PHE A 89 2.258 -14.513 6.680 1.00 36.93 C ATOM 423 CE2 PHE A 89 0.868 -12.615 6.347 1.00 36.63 C ATOM 424 CZ PHE A 89 1.010 -13.938 6.696 1.00 36.90 C ATOM 425 H PHE A 89 6.376 -9.930 5.703 1.00 0.00 H ATOM 426 N LYS A 90 6.806 -12.862 4.308 1.00 41.68 N ATOM 427 CA LYS A 90 7.557 -13.815 3.524 1.00 43.19 C ATOM 428 C LYS A 90 8.749 -14.280 4.345 1.00 42.62 C ATOM 429 O LYS A 90 8.926 -15.467 4.578 1.00 43.42 O ATOM 430 CB LYS A 90 7.985 -13.143 2.198 1.00 46.92 C ATOM 431 CG LYS A 90 8.725 -14.048 1.223 1.00 50.20 C ATOM 432 CD LYS A 90 8.608 -13.629 -0.249 1.00 52.50 C ATOM 433 CE LYS A 90 9.555 -14.471 -1.138 1.00 55.85 C ATOM 434 NZ LYS A 90 8.970 -15.216 -2.314 1.00 53.21 N ATOM 435 HZ1 LYS A 90 8.255 -15.891 -1.975 1.00 0.00 H ATOM 436 HZ2 LYS A 90 8.527 -14.538 -2.966 1.00 0.00 H ATOM 437 HZ3 LYS A 90 9.727 -15.730 -2.808 1.00 0.00 H ATOM 438 H LYS A 90 6.523 -11.965 3.865 1.00 0.00 H ATOM 439 N GLY A 91 9.525 -13.328 4.842 1.00 43.03 N ATOM 440 CA GLY A 91 10.737 -13.620 5.593 1.00 44.65 C ATOM 441 C GLY A 91 10.554 -14.616 6.717 1.00 44.95 C ATOM 442 O GLY A 91 11.469 -15.367 7.055 1.00 46.93 O ATOM 443 H GLY A 91 9.258 -12.334 4.690 1.00 0.00 H ATOM 444 N ALA A 92 9.364 -14.625 7.296 1.00 43.65 N ATOM 445 CA ALA A 92 9.065 -15.485 8.429 1.00 42.74 C ATOM 446 C ALA A 92 9.043 -16.956 8.083 1.00 43.05 C ATOM 447 O ALA A 92 9.376 -17.782 8.935 1.00 44.40 O ATOM 448 CB ALA A 92 7.732 -15.092 9.036 1.00 42.24 C ATOM 449 H ALA A 92 8.620 -13.998 6.929 1.00 0.00 H ATOM 450 N PHE A 93 8.657 -17.296 6.855 1.00 42.29 N ATOM 451 CA PHE A 93 8.413 -18.701 6.520 1.00 42.51 C ATOM 452 C PHE A 93 9.144 -19.256 5.304 1.00 43.84 C ATOM 453 O PHE A 93 9.228 -20.478 5.181 1.00 45.04 O ATOM 454 CB PHE A 93 6.895 -18.983 6.413 1.00 41.48 C ATOM 455 CG PHE A 93 6.253 -18.437 5.170 1.00 41.22 C ATOM 456 CD1 PHE A 93 5.686 -17.172 5.158 1.00 40.43 C ATOM 457 CD2 PHE A 93 6.210 -19.193 4.005 1.00 42.44 C ATOM 458 CE1 PHE A 93 5.098 -16.668 4.009 1.00 40.29 C ATOM 459 CE2 PHE A 93 5.610 -18.695 2.856 1.00 41.66 C ATOM 460 CZ PHE A 93 5.058 -17.429 2.860 1.00 40.53 C ATOM 461 H PHE A 93 8.528 -16.561 6.131 1.00 0.00 H ATOM 462 N ILE A 94 9.663 -18.411 4.406 1.00 45.06 N ATOM 463 CA ILE A 94 10.396 -18.943 3.220 1.00 45.13 C ATOM 464 C ILE A 94 11.738 -19.514 3.622 1.00 44.64 C ATOM 465 O ILE A 94 12.332 -19.109 4.630 1.00 42.73 O ATOM 466 CB ILE A 94 10.654 -17.927 2.074 1.00 45.90 C ATOM 467 CG1 ILE A 94 11.132 -16.581 2.637 1.00 49.19 C ATOM 468 CG2 ILE A 94 9.424 -17.798 1.203 1.00 44.32 C ATOM 469 CD1 ILE A 94 11.908 -15.692 1.681 1.00 51.69 C ATOM 470 H ILE A 94 9.556 -17.385 4.534 1.00 0.00 H ATOM 471 N SER A 95 12.187 -20.476 2.819 1.00 45.51 N ATOM 472 CA SER A 95 13.496 -21.109 2.986 1.00 48.36 C ATOM 473 C SER A 95 13.572 -21.970 4.261 1.00 49.46 C ATOM 474 O SER A 95 14.595 -22.595 4.545 1.00 50.37 O ATOM 475 CB SER A 95 14.601 -20.047 2.941 1.00 48.38 C ATOM 476 OG SER A 95 15.773 -20.572 2.350 1.00 51.09 O ATOM 477 HG SER A 95 15.572 -20.866 1.426 1.00 0.00 H ATOM 478 H SER A 95 11.579 -20.793 2.037 1.00 0.00 H ATOM 479 N LYS A 96 12.465 -22.027 4.998 1.00 50.00 N ATOM 480 CA LYS A 96 12.369 -22.808 6.213 1.00 50.63 C ATOM 481 C LYS A 96 11.474 -24.024 6.009 1.00 48.37 C ATOM 482 O LYS A 96 10.436 -23.958 5.346 1.00 44.69 O ATOM 483 CB LYS A 96 11.817 -21.946 7.349 1.00 52.06 C ATOM 484 CG LYS A 96 12.816 -20.934 7.886 1.00 55.37 C ATOM 485 CD LYS A 96 12.149 -19.861 8.745 1.00 57.70 C ATOM 486 CE LYS A 96 13.090 -18.679 8.992 1.00 62.40 C ATOM 487 NZ LYS A 96 12.388 -17.366 9.187 1.00 62.39 N ATOM 488 HZ1 LYS A 96 11.831 -17.142 8.337 1.00 0.00 H ATOM 489 HZ2 LYS A 96 11.755 -17.431 10.010 1.00 0.00 H ATOM 490 HZ3 LYS A 96 13.093 -16.618 9.348 1.00 0.00 H ATOM 491 H LYS A 96 11.632 -21.487 4.687 1.00 0.00 H ATOM 492 N HIS A 97 11.893 -25.135 6.602 1.00 49.10 N ATOM 493 CA HIS A 97 11.042 -26.310 6.698 1.00 49.47 C ATOM 494 C HIS A 97 9.691 -25.859 7.248 1.00 47.73 C ATOM 495 O HIS A 97 9.641 -25.189 8.268 1.00 49.38 O ATOM 496 CB HIS A 97 11.676 -27.388 7.597 1.00 50.12 C ATOM 497 CG HIS A 97 11.050 -28.738 7.439 1.00 51.09 C ATOM 498 ND1 HIS A 97 9.882 -29.095 8.073 1.00 50.66 N ATOM 499 CD2 HIS A 97 11.405 -29.807 6.690 1.00 52.27 C ATOM 500 CE1 HIS A 97 9.557 -30.332 7.749 1.00 50.61 C ATOM 501 NE2 HIS A 97 10.463 -30.786 6.908 1.00 52.09 N ATOM 502 H HIS A 97 12.851 -25.166 7.007 1.00 0.00 H ATOM 503 N PRO A 98 8.586 -26.214 6.579 1.00 48.16 N ATOM 504 CA PRO A 98 7.289 -25.688 7.034 1.00 47.68 C ATOM 505 C PRO A 98 6.777 -26.278 8.377 1.00 48.74 C ATOM 506 O PRO A 98 5.634 -26.059 8.753 1.00 47.42 O ATOM 507 CB PRO A 98 6.344 -26.031 5.866 1.00 46.74 C ATOM 508 CG PRO A 98 6.984 -27.166 5.143 1.00 47.33 C ATOM 509 CD PRO A 98 8.441 -27.210 5.499 1.00 48.39 C ATOM 510 N CYS A 99 7.630 -27.012 9.084 1.00 51.57 N ATOM 511 CA CYS A 99 7.300 -27.604 10.386 1.00 53.07 C ATOM 512 C CYS A 99 8.227 -27.159 11.508 1.00 53.81 C ATOM 513 O CYS A 99 7.987 -27.507 12.662 1.00 53.40 O ATOM 514 CB CYS A 99 7.335 -29.117 10.296 1.00 54.76 C ATOM 515 SG CYS A 99 6.005 -29.722 9.264 1.00 56.02 S ATOM 516 H CYS A 99 8.580 -27.175 8.695 1.00 0.00 H ATOM 517 N ASP A 100 9.263 -26.387 11.170 1.00 54.00 N ATOM 518 CA ASP A 100 10.156 -25.799 12.155 1.00 55.74 C ATOM 519 C ASP A 100 9.964 -24.292 12.230 1.00 52.56 C ATOM 520 O ASP A 100 10.920 -23.536 12.159 1.00 53.29 O ATOM 521 CB ASP A 100 11.614 -26.170 11.832 1.00 59.08 C ATOM 522 CG ASP A 100 11.934 -27.619 12.192 1.00 63.24 C ATOM 523 OD1 ASP A 100 11.701 -28.014 13.374 1.00 64.35 O ATOM 524 OD2 ASP A 100 12.408 -28.365 11.300 1.00 64.37 O ATOM 525 H ASP A 100 9.438 -26.199 10.162 1.00 0.00 H ATOM 526 N ILE A 101 8.722 -23.857 12.391 1.00 50.60 N ATOM 527 CA ILE A 101 8.443 -22.439 12.522 1.00 49.84 C ATOM 528 C ILE A 101 8.270 -22.109 13.987 1.00 49.82 C ATOM 529 O ILE A 101 7.641 -22.862 14.728 1.00 49.02 O ATOM 530 CB ILE A 101 7.182 -22.022 11.753 1.00 49.91 C ATOM 531 CG1 ILE A 101 7.193 -22.592 10.326 1.00 50.40 C ATOM 532 CG2 ILE A 101 7.064 -20.505 11.716 1.00 49.60 C ATOM 533 CD1 ILE A 101 8.357 -22.138 9.461 1.00 51.12 C ATOM 534 H ILE A 101 7.938 -24.540 12.424 1.00 0.00 H ATOM 535 N THR A 102 8.848 -20.983 14.389 1.00 51.39 N ATOM 536 CA THR A 102 8.754 -20.495 15.758 1.00 53.95 C ATOM 537 C THR A 102 8.160 -19.102 15.753 1.00 53.90 C ATOM 538 O THR A 102 8.071 -18.466 14.698 1.00 53.14 O ATOM 539 CB THR A 102 10.132 -20.403 16.401 1.00 56.46 C ATOM 540 OG1 THR A 102 10.949 -19.542 15.603 1.00 57.64 O ATOM 541 CG2 THR A 102 10.775 -21.787 16.503 1.00 58.22 C ATOM 542 HG1 THR A 102 11.026 -19.916 14.689 1.00 0.00 H ATOM 543 H THR A 102 9.390 -20.427 13.698 1.00 0.00 H ATOM 544 N GLU A 103 7.748 -18.641 16.932 1.00 54.20 N ATOM 545 CA GLU A 103 7.135 -17.318 17.077 1.00 53.55 C ATOM 546 C GLU A 103 8.130 -16.197 16.759 1.00 51.81 C ATOM 547 O GLU A 103 7.749 -15.148 16.231 1.00 47.43 O ATOM 548 CB GLU A 103 6.558 -17.133 18.493 1.00 57.06 C ATOM 549 CG GLU A 103 5.302 -17.965 18.806 1.00 58.45 C ATOM 550 CD GLU A 103 4.618 -17.583 20.130 1.00 59.66 C ATOM 551 OE1 GLU A 103 4.740 -16.404 20.559 1.00 59.78 O ATOM 552 OE2 GLU A 103 3.950 -18.459 20.741 1.00 56.23 O ATOM 553 H GLU A 103 7.865 -19.238 17.776 1.00 0.00 H ATOM 554 N GLU A 104 9.403 -16.424 17.072 1.00 53.25 N ATOM 555 CA GLU A 104 10.439 -15.445 16.767 1.00 56.70 C ATOM 556 C GLU A 104 10.511 -15.147 15.274 1.00 54.14 C ATOM 557 O GLU A 104 10.782 -14.018 14.867 1.00 55.41 O ATOM 558 CB GLU A 104 11.807 -15.899 17.293 1.00 62.55 C ATOM 559 CG GLU A 104 12.022 -15.627 18.784 1.00 67.55 C ATOM 560 CD GLU A 104 12.209 -14.142 19.127 1.00 71.84 C ATOM 561 OE1 GLU A 104 12.707 -13.346 18.281 1.00 73.20 O ATOM 562 OE2 GLU A 104 11.865 -13.763 20.269 1.00 73.70 O ATOM 563 H GLU A 104 9.663 -17.315 17.542 1.00 0.00 H ATOM 564 N ASP A 105 10.246 -16.145 14.449 1.00 52.55 N ATOM 565 CA ASP A 105 10.227 -15.917 13.015 1.00 50.93 C ATOM 566 C ASP A 105 9.239 -14.849 12.633 1.00 48.31 C ATOM 567 O ASP A 105 9.492 -14.083 11.722 1.00 51.26 O ATOM 568 CB ASP A 105 9.897 -17.184 12.258 1.00 51.52 C ATOM 569 CG ASP A 105 11.011 -18.171 12.305 1.00 54.65 C ATOM 570 OD1 ASP A 105 12.140 -17.798 11.914 1.00 56.53 O ATOM 571 OD2 ASP A 105 10.758 -19.315 12.739 1.00 57.90 O ATOM 572 H ASP A 105 10.051 -17.094 14.827 1.00 0.00 H ATOM 573 N TYR A 106 8.119 -14.776 13.328 1.00 45.59 N ATOM 574 CA TYR A 106 7.115 -13.798 12.964 1.00 43.91 C ATOM 575 C TYR A 106 7.311 -12.417 13.582 1.00 45.65 C ATOM 576 O TYR A 106 6.578 -11.505 13.245 1.00 43.38 O ATOM 577 CB TYR A 106 5.737 -14.341 13.277 1.00 41.87 C ATOM 578 CG TYR A 106 5.239 -15.305 12.225 1.00 41.24 C ATOM 579 CD1 TYR A 106 4.747 -14.848 11.006 1.00 38.89 C ATOM 580 CD2 TYR A 106 5.257 -16.681 12.451 1.00 42.26 C ATOM 581 CE1 TYR A 106 4.279 -15.733 10.051 1.00 39.26 C ATOM 582 CE2 TYR A 106 4.789 -17.577 11.497 1.00 41.30 C ATOM 583 CZ TYR A 106 4.299 -17.110 10.301 1.00 39.70 C ATOM 584 OH TYR A 106 3.821 -18.023 9.384 1.00 36.69 O ATOM 585 HH TYR A 106 3.071 -18.530 9.785 1.00 0.00 H ATOM 586 H TYR A 106 7.959 -15.417 14.132 1.00 0.00 H ATOM 587 N GLN A 107 8.315 -12.247 14.441 1.00 49.09 N ATOM 588 CA GLN A 107 8.507 -10.987 15.158 1.00 52.22 C ATOM 589 C GLN A 107 8.883 -9.774 14.254 1.00 52.60 C ATOM 590 O GLN A 107 8.400 -8.651 14.464 1.00 50.26 O ATOM 591 CB GLN A 107 9.530 -11.182 16.274 1.00 58.11 C ATOM 592 CG GLN A 107 9.440 -10.153 17.399 1.00 63.59 C ATOM 593 CD GLN A 107 10.632 -10.236 18.361 1.00 72.65 C ATOM 594 OE1 GLN A 107 11.387 -9.265 18.542 1.00 72.10 O ATOM 595 NE2 GLN A 107 10.815 -11.412 18.981 1.00 76.85 N ATOM 596 HE22 GLN A 107 10.161 -12.201 18.803 1.00 0.00 H ATOM 597 HE21 GLN A 107 11.611 -11.534 19.639 1.00 0.00 H ATOM 598 H GLN A 107 8.979 -13.030 14.606 1.00 0.00 H ATOM 599 N PRO A 108 9.745 -9.982 13.244 1.00 51.57 N ATOM 600 CA PRO A 108 9.978 -8.855 12.332 1.00 49.84 C ATOM 601 C PRO A 108 8.680 -8.263 11.748 1.00 47.39 C ATOM 602 O PRO A 108 8.550 -7.057 11.609 1.00 48.19 O ATOM 603 CB PRO A 108 10.834 -9.477 11.234 1.00 49.58 C ATOM 604 CG PRO A 108 11.557 -10.578 11.919 1.00 50.61 C ATOM 605 CD PRO A 108 10.619 -11.131 12.945 1.00 50.61 C ATOM 606 N LEU A 109 7.737 -9.126 11.403 1.00 46.55 N ATOM 607 CA LEU A 109 6.430 -8.706 10.887 1.00 46.07 C ATOM 608 C LEU A 109 5.557 -8.130 12.008 1.00 46.04 C ATOM 609 O LEU A 109 4.837 -7.166 11.796 1.00 46.42 O ATOM 610 CB LEU A 109 5.711 -9.890 10.202 1.00 43.83 C ATOM 611 CG LEU A 109 4.194 -9.775 9.983 1.00 42.69 C ATOM 612 CD1 LEU A 109 3.861 -8.857 8.817 1.00 43.37 C ATOM 613 CD2 LEU A 109 3.572 -11.138 9.759 1.00 41.83 C ATOM 614 H LEU A 109 7.931 -10.143 11.502 1.00 0.00 H ATOM 615 N MET A 110 5.611 -8.740 13.185 1.00 46.51 N ATOM 616 CA MET A 110 4.857 -8.274 14.336 1.00 47.96 C ATOM 617 C MET A 110 5.185 -6.820 14.613 1.00 49.66 C ATOM 618 O MET A 110 4.302 -6.002 14.849 1.00 50.39 O ATOM 619 CB MET A 110 5.222 -9.101 15.567 1.00 51.16 C ATOM 620 CG MET A 110 4.793 -10.561 15.507 1.00 51.90 C ATOM 621 SD MET A 110 3.007 -10.700 15.570 1.00 55.82 S ATOM 622 CE MET A 110 2.763 -10.541 17.350 1.00 58.36 C ATOM 623 H MET A 110 6.214 -9.581 13.287 1.00 0.00 H ATOM 624 N LYS A 111 6.473 -6.511 14.568 1.00 51.21 N ATOM 625 CA LYS A 111 6.965 -5.189 14.901 1.00 53.30 C ATOM 626 C LYS A 111 6.494 -4.162 13.882 1.00 52.09 C ATOM 627 O LYS A 111 6.201 -3.032 14.242 1.00 53.55 O ATOM 628 CB LYS A 111 8.502 -5.194 14.994 1.00 55.74 C ATOM 629 CG LYS A 111 9.083 -4.097 15.877 1.00 58.87 C ATOM 630 H LYS A 111 7.155 -7.243 14.284 1.00 0.00 H ATOM 631 N LEU A 112 6.432 -4.559 12.616 1.00 51.65 N ATOM 632 CA LEU A 112 5.992 -3.666 11.527 1.00 51.91 C ATOM 633 C LEU A 112 4.499 -3.436 11.560 1.00 49.98 C ATOM 634 O LEU A 112 4.031 -2.375 11.184 1.00 49.73 O ATOM 635 CB LEU A 112 6.357 -4.240 10.149 1.00 51.08 C ATOM 636 CG LEU A 112 7.803 -4.124 9.687 1.00 53.14 C ATOM 637 CD1 LEU A 112 7.995 -4.892 8.383 1.00 53.05 C ATOM 638 CD2 LEU A 112 8.199 -2.659 9.519 1.00 55.92 C ATOM 639 H LEU A 112 6.704 -5.536 12.384 1.00 0.00 H ATOM 640 N GLY A 113 3.761 -4.448 11.989 1.00 49.80 N ATOM 641 CA GLY A 113 2.314 -4.379 12.052 1.00 52.88 C ATOM 642 C GLY A 113 1.806 -4.084 13.448 1.00 54.82 C ATOM 643 O GLY A 113 0.698 -4.494 13.837 1.00 57.40 O ATOM 644 H GLY A 113 4.236 -5.323 12.291 1.00 0.00 H ATOM 645 N THR A 114 2.625 -3.383 14.212 1.00 56.69 N ATOM 646 CA THR A 114 2.242 -3.010 15.546 1.00 59.66 C ATOM 647 C THR A 114 1.036 -2.115 15.440 1.00 58.52 C ATOM 648 O THR A 114 1.005 -1.157 14.670 1.00 59.30 O ATOM 649 CB THR A 114 3.374 -2.283 16.296 1.00 62.96 C ATOM 650 OG1 THR A 114 4.462 -3.202 16.480 1.00 63.77 O ATOM 651 CG2 THR A 114 2.894 -1.741 17.679 1.00 63.57 C ATOM 652 HG1 THR A 114 4.785 -3.510 15.596 1.00 0.00 H ATOM 653 H THR A 114 3.555 -3.099 13.845 1.00 0.00 H ATOM 654 N GLN A 115 0.043 -2.471 16.228 1.00 56.44 N ATOM 655 CA GLN A 115 -1.171 -1.729 16.317 1.00 56.15 C ATOM 656 C GLN A 115 -1.642 -2.024 17.726 1.00 57.13 C ATOM 657 O GLN A 115 -1.768 -3.188 18.104 1.00 55.85 O ATOM 658 CB GLN A 115 -2.153 -2.252 15.273 1.00 54.59 C ATOM 659 CG GLN A 115 -3.228 -1.268 14.867 1.00 55.91 C ATOM 660 CD GLN A 115 -4.197 -1.856 13.856 1.00 54.95 C ATOM 661 OE1 GLN A 115 -3.975 -2.951 13.331 1.00 55.35 O ATOM 662 NE2 GLN A 115 -5.282 -1.131 13.577 1.00 55.84 N ATOM 663 HE22 GLN A 115 -5.428 -0.213 14.044 1.00 0.00 H ATOM 664 HE21 GLN A 115 -5.981 -1.484 12.893 1.00 0.00 H ATOM 665 H GLN A 115 0.149 -3.327 16.808 1.00 0.00 H ATOM 666 N THR A 116 -1.832 -0.991 18.537 1.00 60.02 N ATOM 667 CA THR A 116 -2.453 -1.200 19.849 1.00 58.99 C ATOM 668 C THR A 116 -3.807 -0.504 19.840 1.00 57.93 C ATOM 669 O THR A 116 -3.897 0.715 20.060 1.00 59.17 O ATOM 670 CB THR A 116 -1.596 -0.728 21.051 1.00 60.63 C ATOM 671 OG1 THR A 116 -0.225 -1.125 20.894 1.00 60.20 O ATOM 672 CG2 THR A 116 -2.140 -1.355 22.332 1.00 61.21 C ATOM 673 HG1 THR A 116 0.299 -0.812 21.673 1.00 0.00 H ATOM 674 H THR A 116 -1.542 -0.037 18.243 1.00 0.00 H ATOM 675 N VAL A 117 -4.837 -1.301 19.532 1.00 54.27 N ATOM 676 CA VAL A 117 -6.238 -0.866 19.530 1.00 52.62 C ATOM 677 C VAL A 117 -6.724 -0.581 20.962 1.00 51.91 C ATOM 678 O VAL A 117 -6.109 -1.042 21.931 1.00 50.63 O ATOM 679 CB VAL A 117 -7.149 -1.912 18.834 1.00 52.39 C ATOM 680 CG1 VAL A 117 -6.809 -2.009 17.360 1.00 52.94 C ATOM 681 CG2 VAL A 117 -7.021 -3.297 19.456 1.00 52.72 C ATOM 682 H VAL A 117 -4.632 -2.289 19.279 1.00 0.00 H ATOM 683 N PRO A 118 -7.819 0.192 21.109 1.00 51.66 N ATOM 684 CA PRO A 118 -8.315 0.414 22.460 1.00 50.56 C ATOM 685 C PRO A 118 -8.686 -0.936 23.096 1.00 48.89 C ATOM 686 O PRO A 118 -9.544 -1.664 22.583 1.00 48.82 O ATOM 687 CB PRO A 118 -9.548 1.295 22.248 1.00 51.46 C ATOM 688 CG PRO A 118 -9.487 1.754 20.843 1.00 51.74 C ATOM 689 CD PRO A 118 -8.760 0.698 20.099 1.00 51.03 C ATOM 690 N CYS A 119 -8.015 -1.267 24.190 1.00 47.27 N ATOM 691 CA CYS A 119 -8.074 -2.603 24.773 1.00 44.84 C ATOM 692 C CYS A 119 -9.416 -2.925 25.434 1.00 44.32 C ATOM 693 O CYS A 119 -9.718 -4.083 25.713 1.00 42.35 O ATOM 694 CB CYS A 119 -6.925 -2.768 25.772 1.00 45.08 C ATOM 695 SG CYS A 119 -6.849 -1.504 27.063 1.00 46.71 S ATOM 696 H CYS A 119 -7.423 -0.546 24.651 1.00 0.00 H ATOM 697 N ASN A 120 -10.212 -1.893 25.690 1.00 45.23 N ATOM 698 CA ASN A 120 -11.539 -2.081 26.251 1.00 45.18 C ATOM 699 C ASN A 120 -12.572 -2.321 25.181 1.00 45.33 C ATOM 700 O ASN A 120 -13.744 -2.409 25.493 1.00 46.38 O ATOM 701 CB ASN A 120 -11.942 -0.876 27.097 1.00 46.09 C ATOM 702 CG ASN A 120 -12.033 0.408 26.295 1.00 45.98 C ATOM 703 OD1 ASN A 120 -11.215 0.663 25.420 1.00 44.14 O ATOM 704 ND2 ASN A 120 -13.027 1.229 26.604 1.00 47.15 N ATOM 705 HD22 ASN A 120 -13.699 0.972 27.355 1.00 0.00 H ATOM 706 HD21 ASN A 120 -13.134 2.130 26.096 1.00 0.00 H ATOM 707 H ASN A 120 -9.878 -0.930 25.484 1.00 0.00 H ATOM 708 N LYS A 121 -12.137 -2.428 23.927 1.00 45.73 N ATOM 709 CA LYS A 121 -13.040 -2.563 22.782 1.00 46.54 C ATOM 710 C LYS A 121 -12.769 -3.856 22.031 1.00 45.51 C ATOM 711 O LYS A 121 -12.932 -3.898 20.811 1.00 45.66 O ATOM 712 CB LYS A 121 -12.852 -1.388 21.804 1.00 47.69 C ATOM 713 CG LYS A 121 -13.082 -0.003 22.378 1.00 50.66 C ATOM 714 CD LYS A 121 -14.510 0.173 22.868 1.00 54.01 C ATOM 715 CE LYS A 121 -14.813 1.636 23.154 1.00 57.29 C ATOM 716 NZ LYS A 121 -16.194 1.801 23.694 1.00 60.12 N ATOM 717 HZ1 LYS A 121 -16.881 1.447 22.998 1.00 0.00 H ATOM 718 HZ2 LYS A 121 -16.286 1.262 24.579 1.00 0.00 H ATOM 719 HZ3 LYS A 121 -16.374 2.808 23.880 1.00 0.00 H ATOM 720 H LYS A 121 -11.112 -2.415 23.753 1.00 0.00 H ATOM 721 N ILE A 122 -12.354 -4.912 22.739 1.00 44.68 N ATOM 722 CA ILE A 122 -11.923 -6.157 22.075 1.00 42.45 C ATOM 723 C ILE A 122 -13.062 -7.143 22.044 1.00 41.82 C ATOM 724 O ILE A 122 -13.781 -7.277 23.014 1.00 43.24 O ATOM 725 CB ILE A 122 -10.729 -6.818 22.789 1.00 42.00 C ATOM 726 CG1 ILE A 122 -9.523 -5.866 22.882 1.00 42.08 C ATOM 727 CG2 ILE A 122 -10.301 -8.081 22.073 1.00 41.11 C ATOM 728 CD1 ILE A 122 -8.955 -5.414 21.559 1.00 41.42 C ATOM 729 H ILE A 122 -12.335 -4.854 23.777 1.00 0.00 H ATOM 730 N LEU A 123 -13.228 -7.816 20.916 1.00 40.84 N ATOM 731 CA LEU A 123 -14.187 -8.891 20.803 1.00 41.64 C ATOM 732 C LEU A 123 -13.468 -10.145 20.372 1.00 40.99 C ATOM 733 O LEU A 123 -13.022 -10.240 19.235 1.00 41.83 O ATOM 734 CB LEU A 123 -15.282 -8.550 19.782 1.00 42.93 C ATOM 735 CG LEU A 123 -16.303 -9.664 19.463 1.00 43.12 C ATOM 736 CD1 LEU A 123 -17.206 -9.993 20.647 1.00 44.62 C ATOM 737 CD2 LEU A 123 -17.144 -9.268 18.273 1.00 43.55 C ATOM 738 H LEU A 123 -12.652 -7.564 20.088 1.00 0.00 H ATOM 739 N LEU A 124 -13.359 -11.116 21.270 1.00 41.30 N ATOM 740 CA LEU A 124 -12.849 -12.432 20.901 1.00 41.32 C ATOM 741 C LEU A 124 -13.989 -13.277 20.369 1.00 42.56 C ATOM 742 O LEU A 124 -15.156 -12.944 20.563 1.00 42.85 O ATOM 743 CB LEU A 124 -12.197 -13.120 22.097 1.00 41.83 C ATOM 744 CG LEU A 124 -11.016 -12.406 22.761 1.00 41.04 C ATOM 745 CD1 LEU A 124 -10.395 -13.326 23.796 1.00 41.01 C ATOM 746 CD2 LEU A 124 -9.974 -11.982 21.739 1.00 40.10 C ATOM 747 H LEU A 124 -13.642 -10.936 22.254 1.00 0.00 H ATOM 748 N TRP A 125 -13.651 -14.360 19.677 1.00 44.07 N ATOM 749 CA TRP A 125 -14.664 -15.284 19.123 1.00 46.87 C ATOM 750 C TRP A 125 -14.110 -16.699 19.050 1.00 48.13 C ATOM 751 O TRP A 125 -12.902 -16.906 19.122 1.00 49.32 O ATOM 752 CB TRP A 125 -15.167 -14.833 17.730 1.00 46.85 C ATOM 753 CG TRP A 125 -14.081 -14.658 16.685 1.00 45.96 C ATOM 754 CD1 TRP A 125 -13.411 -13.503 16.379 1.00 44.88 C ATOM 755 CD2 TRP A 125 -13.544 -15.669 15.828 1.00 45.15 C ATOM 756 NE1 TRP A 125 -12.495 -13.736 15.389 1.00 44.29 N ATOM 757 CE2 TRP A 125 -12.559 -15.059 15.030 1.00 44.78 C ATOM 758 CE3 TRP A 125 -13.814 -17.026 15.643 1.00 45.69 C ATOM 759 CZ2 TRP A 125 -11.841 -15.767 14.065 1.00 44.22 C ATOM 760 CZ3 TRP A 125 -13.096 -17.728 14.686 1.00 45.37 C ATOM 761 CH2 TRP A 125 -12.124 -17.098 13.909 1.00 43.95 C ATOM 762 HE1 TRP A 125 -11.856 -13.027 14.977 1.00 0.00 H ATOM 763 H TRP A 125 -12.643 -14.564 19.520 1.00 0.00 H ATOM 764 N SER A 126 -14.996 -17.679 18.923 1.00 51.17 N ATOM 765 CA SER A 126 -14.565 -19.075 18.772 1.00 50.93 C ATOM 766 C SER A 126 -15.467 -19.825 17.792 1.00 52.12 C ATOM 767 O SER A 126 -16.656 -20.009 18.040 1.00 51.26 O ATOM 768 CB SER A 126 -14.520 -19.781 20.124 1.00 51.52 C ATOM 769 OG SER A 126 -13.801 -20.999 20.031 1.00 52.81 O ATOM 770 HG SER A 126 -13.784 -21.439 20.917 1.00 0.00 H ATOM 771 H SER A 126 -16.012 -17.455 18.931 1.00 0.00 H ATOM 772 N ARG A 127 -14.879 -20.213 16.658 1.00 54.87 N ATOM 773 CA ARG A 127 -15.552 -20.942 15.568 1.00 56.39 C ATOM 774 C ARG A 127 -16.587 -20.083 14.819 1.00 57.62 C ATOM 775 O ARG A 127 -16.724 -20.205 13.606 1.00 61.31 O ATOM 776 CB ARG A 127 -16.162 -22.274 16.061 1.00 57.85 C ATOM 777 CG ARG A 127 -15.227 -23.140 16.920 1.00 57.32 C ATOM 778 CD ARG A 127 -13.968 -23.553 16.174 1.00 55.39 C ATOM 779 H ARG A 127 -13.872 -19.984 16.535 1.00 0.00 H ATOM 780 N ILE A 128 -17.282 -19.200 15.528 1.00 58.08 N ATOM 781 CA ILE A 128 -18.347 -18.367 14.950 1.00 57.77 C ATOM 782 C ILE A 128 -17.789 -17.006 14.502 1.00 56.80 C ATOM 783 O ILE A 128 -18.109 -15.968 15.049 1.00 57.82 O ATOM 784 CB ILE A 128 -19.536 -18.260 15.947 1.00 58.59 C ATOM 785 CG1 ILE A 128 -20.716 -17.551 15.301 1.00 60.28 C ATOM 786 CG2 ILE A 128 -19.122 -17.631 17.282 1.00 57.20 C ATOM 787 CD1 ILE A 128 -21.924 -17.459 16.203 1.00 62.52 C ATOM 788 H ILE A 128 -17.063 -19.093 16.539 1.00 0.00 H ATOM 789 N LYS A 129 -16.947 -17.037 13.478 1.00 57.31 N ATOM 790 CA LYS A 129 -16.214 -15.852 12.987 1.00 55.25 C ATOM 791 C LYS A 129 -17.040 -14.931 12.080 1.00 57.06 C ATOM 792 O LYS A 129 -16.849 -13.718 12.079 1.00 55.67 O ATOM 793 CB LYS A 129 -14.960 -16.334 12.247 1.00 53.99 C ATOM 794 CG LYS A 129 -14.485 -15.526 11.049 1.00 52.80 C ATOM 795 CD LYS A 129 -13.097 -16.014 10.632 1.00 51.32 C ATOM 796 CE LYS A 129 -12.974 -16.216 9.131 1.00 51.06 C ATOM 797 NZ LYS A 129 -11.755 -16.993 8.775 1.00 49.46 N ATOM 798 HZ1 LYS A 129 -10.911 -16.483 9.106 1.00 0.00 H ATOM 799 HZ2 LYS A 129 -11.797 -17.928 9.228 1.00 0.00 H ATOM 800 HZ3 LYS A 129 -11.708 -17.109 7.743 1.00 0.00 H ATOM 801 H LYS A 129 -16.794 -17.945 12.994 1.00 0.00 H ATOM 802 N ASP A 130 -17.934 -15.527 11.292 1.00 59.98 N ATOM 803 CA ASP A 130 -18.758 -14.812 10.310 1.00 60.70 C ATOM 804 C ASP A 130 -19.665 -13.804 10.997 1.00 59.13 C ATOM 805 O ASP A 130 -19.808 -12.672 10.556 1.00 57.80 O ATOM 806 CB ASP A 130 -19.594 -15.831 9.501 1.00 65.40 C ATOM 807 CG ASP A 130 -20.586 -15.170 8.520 1.00 71.31 C ATOM 808 OD1 ASP A 130 -20.269 -14.106 7.925 1.00 74.48 O ATOM 809 OD2 ASP A 130 -21.699 -15.729 8.340 1.00 73.96 O ATOM 810 H ASP A 130 -18.055 -16.556 11.378 1.00 0.00 H ATOM 811 N LEU A 131 -20.283 -14.224 12.085 1.00 59.56 N ATOM 812 CA LEU A 131 -21.185 -13.351 12.805 1.00 61.34 C ATOM 813 C LEU A 131 -20.418 -12.269 13.577 1.00 60.57 C ATOM 814 O LEU A 131 -20.838 -11.110 13.616 1.00 61.78 O ATOM 815 CB LEU A 131 -22.027 -14.166 13.767 1.00 63.51 C ATOM 816 CG LEU A 131 -23.353 -13.512 14.139 1.00 67.29 C ATOM 817 CD1 LEU A 131 -24.398 -13.773 13.057 1.00 70.88 C ATOM 818 CD2 LEU A 131 -23.824 -14.037 15.485 1.00 68.35 C ATOM 819 H LEU A 131 -20.120 -15.192 12.428 1.00 0.00 H ATOM 820 N ALA A 132 -19.296 -12.655 14.185 1.00 57.25 N ATOM 821 CA ALA A 132 -18.477 -11.738 14.965 1.00 53.60 C ATOM 822 C ALA A 132 -17.981 -10.580 14.127 1.00 53.52 C ATOM 823 O ALA A 132 -17.886 -9.472 14.611 1.00 54.50 O ATOM 824 CB ALA A 132 -17.300 -12.473 15.564 1.00 52.09 C ATOM 825 H ALA A 132 -18.995 -13.647 14.099 1.00 0.00 H ATOM 826 N HIS A 133 -17.653 -10.833 12.866 1.00 54.87 N ATOM 827 CA HIS A 133 -17.211 -9.769 11.968 1.00 53.93 C ATOM 828 C HIS A 133 -18.381 -8.907 11.538 1.00 56.97 C ATOM 829 O HIS A 133 -18.263 -7.684 11.473 1.00 59.12 O ATOM 830 CB HIS A 133 -16.501 -10.350 10.750 1.00 54.16 C ATOM 831 CG HIS A 133 -15.171 -10.944 11.072 1.00 52.73 C ATOM 832 ND1 HIS A 133 -14.630 -11.992 10.364 1.00 54.01 N ATOM 833 CD2 HIS A 133 -14.284 -10.650 12.048 1.00 51.11 C ATOM 834 CE1 HIS A 133 -13.456 -12.308 10.884 1.00 51.84 C ATOM 835 NE2 HIS A 133 -13.230 -11.515 11.912 1.00 50.49 N ATOM 836 H HIS A 133 -17.712 -11.808 12.510 1.00 0.00 H ATOM 837 N GLN A 134 -19.516 -9.535 11.249 1.00 59.38 N ATOM 838 CA GLN A 134 -20.722 -8.776 10.991 1.00 62.78 C ATOM 839 C GLN A 134 -20.928 -7.777 12.123 1.00 61.77 C ATOM 840 O GLN A 134 -21.098 -6.596 11.874 1.00 62.60 O ATOM 841 CB GLN A 134 -21.926 -9.690 10.837 1.00 66.40 C ATOM 842 CG GLN A 134 -22.121 -10.203 9.422 1.00 70.15 C ATOM 843 CD GLN A 134 -23.287 -11.183 9.325 1.00 76.35 C ATOM 844 OE1 GLN A 134 -23.212 -12.306 9.849 1.00 76.45 O ATOM 845 NE2 GLN A 134 -24.376 -10.764 8.659 1.00 78.63 N ATOM 846 HE22 GLN A 134 -24.393 -9.814 8.236 1.00 0.00 H ATOM 847 HE21 GLN A 134 -25.202 -11.390 8.566 1.00 0.00 H ATOM 848 H GLN A 134 -19.538 -10.574 11.208 1.00 0.00 H ATOM 849 N PHE A 135 -20.846 -8.255 13.359 1.00 60.57 N ATOM 850 CA PHE A 135 -20.976 -7.408 14.550 1.00 61.17 C ATOM 851 C PHE A 135 -20.063 -6.184 14.535 1.00 60.00 C ATOM 852 O PHE A 135 -20.533 -5.061 14.756 1.00 61.79 O ATOM 853 CB PHE A 135 -20.697 -8.228 15.815 1.00 61.31 C ATOM 854 CG PHE A 135 -20.939 -7.479 17.098 1.00 62.29 C ATOM 855 CD1 PHE A 135 -19.920 -6.749 17.694 1.00 60.17 C ATOM 856 CD2 PHE A 135 -22.191 -7.519 17.725 1.00 64.92 C ATOM 857 CE1 PHE A 135 -20.141 -6.061 18.877 1.00 61.02 C ATOM 858 CE2 PHE A 135 -22.414 -6.832 18.912 1.00 64.68 C ATOM 859 CZ PHE A 135 -21.385 -6.101 19.487 1.00 62.62 C ATOM 860 H PHE A 135 -20.683 -9.274 13.489 1.00 0.00 H ATOM 861 N THR A 136 -18.772 -6.387 14.281 1.00 57.23 N ATOM 862 CA THR A 136 -17.824 -5.261 14.278 1.00 57.50 C ATOM 863 C THR A 136 -17.957 -4.403 13.024 1.00 58.39 C ATOM 864 O THR A 136 -17.455 -3.285 12.980 1.00 57.94 O ATOM 865 CB THR A 136 -16.345 -5.689 14.486 1.00 54.66 C ATOM 866 OG1 THR A 136 -15.879 -6.475 13.383 1.00 53.80 O ATOM 867 CG2 THR A 136 -16.196 -6.471 15.779 1.00 53.79 C ATOM 868 HG1 THR A 136 -14.936 -6.735 13.539 1.00 0.00 H ATOM 869 H THR A 136 -18.430 -7.349 14.083 1.00 0.00 H ATOM 870 N GLN A 137 -18.628 -4.932 12.009 1.00 60.81 N ATOM 871 CA GLN A 137 -19.012 -4.127 10.849 1.00 63.77 C ATOM 872 C GLN A 137 -20.222 -3.261 11.149 1.00 65.55 C ATOM 873 O GLN A 137 -20.552 -2.411 10.359 1.00 65.52 O ATOM 874 CB GLN A 137 -19.323 -5.018 9.641 1.00 65.19 C ATOM 875 CG GLN A 137 -18.091 -5.516 8.900 1.00 64.00 C ATOM 876 CD GLN A 137 -17.322 -4.405 8.198 1.00 63.97 C ATOM 877 OE1 GLN A 137 -17.792 -3.264 8.087 1.00 64.09 O ATOM 878 NE2 GLN A 137 -16.117 -4.734 7.729 1.00 61.99 N ATOM 879 HE22 GLN A 137 -15.761 -5.705 7.844 1.00 0.00 H ATOM 880 HE21 GLN A 137 -15.533 -4.020 7.248 1.00 0.00 H ATOM 881 H GLN A 137 -18.886 -5.939 12.038 1.00 0.00 H ATOM 882 N VAL A 138 -20.890 -3.504 12.278 1.00 68.46 N ATOM 883 CA VAL A 138 -21.999 -2.668 12.746 1.00 71.96 C ATOM 884 C VAL A 138 -21.531 -1.743 13.878 1.00 72.40 C ATOM 885 O VAL A 138 -21.430 -0.535 13.658 1.00 73.39 O ATOM 886 CB VAL A 138 -23.228 -3.525 13.170 1.00 74.59 C ATOM 887 CG1 VAL A 138 -24.263 -2.708 13.954 1.00 76.33 C ATOM 888 CG2 VAL A 138 -23.880 -4.150 11.936 1.00 75.17 C ATOM 889 H VAL A 138 -20.611 -4.325 12.853 1.00 0.00 H ATOM 890 N GLN A 139 -21.228 -2.288 15.065 1.00 72.60 N ATOM 891 CA GLN A 139 -20.819 -1.446 16.225 1.00 73.67 C ATOM 892 C GLN A 139 -19.726 -0.469 15.785 1.00 73.28 C ATOM 893 O GLN A 139 -19.871 0.753 15.939 1.00 73.51 O ATOM 894 CB GLN A 139 -20.336 -2.291 17.422 1.00 69.10 C ATOM 895 H GLN A 139 -21.279 -3.320 15.179 1.00 0.00 H ATOM 896 N ARG A 140 -18.652 -1.034 15.228 1.00 70.51 N ATOM 897 CA ARG A 140 -17.608 -0.280 14.493 1.00 69.70 C ATOM 898 C ARG A 140 -16.542 0.409 15.369 1.00 68.42 C ATOM 899 O ARG A 140 -15.524 0.863 14.840 1.00 69.09 O ATOM 900 CB ARG A 140 -18.217 0.714 13.478 1.00 67.94 C ATOM 901 H ARG A 140 -18.541 -2.064 15.315 1.00 0.00 H ATOM 902 N ASP A 141 -16.757 0.483 16.684 1.00 66.01 N ATOM 903 CA ASP A 141 -15.705 0.921 17.612 1.00 63.93 C ATOM 904 C ASP A 141 -14.996 -0.309 18.224 1.00 61.74 C ATOM 905 O ASP A 141 -13.849 -0.219 18.707 1.00 58.02 O ATOM 906 CB ASP A 141 -16.288 1.833 18.698 1.00 64.37 C ATOM 907 CG ASP A 141 -17.331 1.131 19.562 1.00 65.58 C ATOM 908 OD1 ASP A 141 -17.917 0.112 19.120 1.00 65.30 O ATOM 909 OD2 ASP A 141 -17.571 1.596 20.692 1.00 65.93 O ATOM 910 H ASP A 141 -17.691 0.225 17.061 1.00 0.00 H ATOM 911 N MET A 142 -15.699 -1.448 18.184 1.00 61.15 N ATOM 912 CA MET A 142 -15.188 -2.736 18.655 1.00 57.63 C ATOM 913 C MET A 142 -14.270 -3.393 17.636 1.00 53.64 C ATOM 914 O MET A 142 -14.370 -3.136 16.431 1.00 54.29 O ATOM 915 CB MET A 142 -16.353 -3.660 18.948 1.00 59.84 C ATOM 916 CG MET A 142 -17.073 -3.315 20.230 1.00 62.84 C ATOM 917 SD MET A 142 -16.561 -4.429 21.544 1.00 65.36 S ATOM 918 CE MET A 142 -17.844 -5.680 21.488 1.00 62.23 C ATOM 919 H MET A 142 -16.663 -1.415 17.796 1.00 0.00 H ATOM 920 N PHE A 143 -13.381 -4.244 18.137 1.00 51.51 N ATOM 921 CA PHE A 143 -12.346 -4.895 17.326 1.00 50.55 C ATOM 922 C PHE A 143 -12.250 -6.409 17.564 1.00 47.42 C ATOM 923 O PHE A 143 -12.136 -6.859 18.701 1.00 46.30 O ATOM 924 CB PHE A 143 -10.973 -4.276 17.634 1.00 53.15 C ATOM 925 CG PHE A 143 -10.679 -2.998 16.875 1.00 57.19 C ATOM 926 CD1 PHE A 143 -11.256 -1.778 17.265 1.00 57.84 C ATOM 927 CD2 PHE A 143 -9.807 -3.004 15.779 1.00 59.34 C ATOM 928 CE1 PHE A 143 -10.987 -0.608 16.571 1.00 58.98 C ATOM 929 CE2 PHE A 143 -9.532 -1.822 15.081 1.00 60.98 C ATOM 930 CZ PHE A 143 -10.127 -0.626 15.479 1.00 60.36 C ATOM 931 H PHE A 143 -13.421 -4.459 19.154 1.00 0.00 H ATOM 932 N THR A 144 -12.304 -7.184 16.483 1.00 46.87 N ATOM 933 CA THR A 144 -11.798 -8.554 16.493 1.00 46.18 C ATOM 934 C THR A 144 -10.365 -8.524 15.984 1.00 45.43 C ATOM 935 O THR A 144 -9.908 -7.515 15.432 1.00 44.57 O ATOM 936 CB THR A 144 -12.614 -9.505 15.594 1.00 46.29 C ATOM 937 OG1 THR A 144 -12.424 -9.152 14.219 1.00 46.29 O ATOM 938 CG2 THR A 144 -14.099 -9.459 15.951 1.00 47.25 C ATOM 939 HG1 THR A 144 -12.728 -8.221 14.073 1.00 0.00 H ATOM 940 H THR A 144 -12.718 -6.804 15.608 1.00 0.00 H ATOM 941 N LEU A 145 -9.668 -9.642 16.155 1.00 45.19 N ATOM 942 CA LEU A 145 -8.300 -9.786 15.672 1.00 43.63 C ATOM 943 C LEU A 145 -8.183 -9.485 14.188 1.00 43.53 C ATOM 944 O LEU A 145 -7.231 -8.815 13.767 1.00 42.84 O ATOM 945 CB LEU A 145 -7.802 -11.206 15.912 1.00 44.10 C ATOM 946 CG LEU A 145 -6.384 -11.486 15.414 1.00 43.58 C ATOM 947 CD1 LEU A 145 -5.406 -10.561 16.130 1.00 43.43 C ATOM 948 CD2 LEU A 145 -6.027 -12.954 15.616 1.00 42.46 C ATOM 949 H LEU A 145 -10.113 -10.441 16.650 1.00 0.00 H ATOM 950 N GLU A 146 -9.162 -9.961 13.408 1.00 43.38 N ATOM 951 CA GLU A 146 -9.137 -9.824 11.942 1.00 42.76 C ATOM 952 C GLU A 146 -9.395 -8.403 11.432 1.00 42.30 C ATOM 953 O GLU A 146 -9.152 -8.135 10.269 1.00 43.45 O ATOM 954 CB GLU A 146 -10.124 -10.779 11.291 1.00 43.95 C ATOM 955 CG GLU A 146 -9.847 -12.270 11.537 1.00 43.28 C ATOM 956 CD GLU A 146 -10.162 -12.744 12.955 1.00 43.27 C ATOM 957 OE1 GLU A 146 -11.062 -12.179 13.629 1.00 42.40 O ATOM 958 OE2 GLU A 146 -9.495 -13.695 13.406 1.00 42.42 O ATOM 959 H GLU A 146 -9.968 -10.444 13.853 1.00 0.00 H ATOM 960 N ASP A 147 -9.869 -7.513 12.307 1.00 41.61 N ATOM 961 CA ASP A 147 -10.005 -6.093 12.017 1.00 40.80 C ATOM 962 C ASP A 147 -8.722 -5.315 12.321 1.00 40.47 C ATOM 963 O ASP A 147 -8.683 -4.083 12.189 1.00 41.06 O ATOM 964 CB ASP A 147 -11.126 -5.505 12.864 1.00 42.32 C ATOM 965 CG ASP A 147 -12.478 -6.114 12.560 1.00 44.27 C ATOM 966 OD1 ASP A 147 -12.959 -5.987 11.401 1.00 44.23 O ATOM 967 OD2 ASP A 147 -13.070 -6.702 13.500 1.00 44.46 O ATOM 968 H ASP A 147 -10.157 -7.853 13.247 1.00 0.00 H ATOM 969 N THR A 148 -7.691 -6.018 12.781 1.00 38.68 N ATOM 970 CA THR A 148 -6.379 -5.428 12.961 1.00 37.68 C ATOM 971 C THR A 148 -5.582 -5.763 11.727 1.00 37.69 C ATOM 972 O THR A 148 -5.860 -6.753 11.068 1.00 38.25 O ATOM 973 CB THR A 148 -5.662 -6.001 14.189 1.00 36.82 C ATOM 974 OG1 THR A 148 -5.259 -7.365 13.960 1.00 35.76 O ATOM 975 CG2 THR A 148 -6.555 -5.929 15.396 1.00 36.96 C ATOM 976 HG1 THR A 148 -6.059 -7.917 13.772 1.00 0.00 H ATOM 977 H THR A 148 -7.830 -7.021 13.019 1.00 0.00 H ATOM 978 N LEU A 149 -4.585 -4.954 11.417 1.00 38.22 N ATOM 979 CA LEU A 149 -3.775 -5.181 10.225 1.00 38.24 C ATOM 980 C LEU A 149 -3.313 -6.640 10.057 1.00 37.02 C ATOM 981 O LEU A 149 -3.618 -7.282 9.043 1.00 37.04 O ATOM 982 CB LEU A 149 -2.566 -4.234 10.207 1.00 38.76 C ATOM 983 CG LEU A 149 -1.626 -4.380 8.998 1.00 38.68 C ATOM 984 CD1 LEU A 149 -2.296 -4.076 7.662 1.00 39.22 C ATOM 985 CD2 LEU A 149 -0.399 -3.500 9.159 1.00 39.52 C ATOM 986 H LEU A 149 -4.374 -4.142 12.032 1.00 0.00 H ATOM 987 N LEU A 150 -2.597 -7.170 11.041 1.00 36.39 N ATOM 988 CA LEU A 150 -1.991 -8.492 10.889 1.00 35.57 C ATOM 989 C LEU A 150 -3.029 -9.570 10.652 1.00 35.21 C ATOM 990 O LEU A 150 -2.833 -10.438 9.805 1.00 35.35 O ATOM 991 CB LEU A 150 -1.105 -8.839 12.071 1.00 35.92 C ATOM 992 CG LEU A 150 0.101 -7.889 12.207 1.00 38.70 C ATOM 993 CD1 LEU A 150 0.951 -8.198 13.443 1.00 40.45 C ATOM 994 CD2 LEU A 150 0.969 -7.933 10.967 1.00 38.76 C ATOM 995 H LEU A 150 -2.466 -6.641 11.927 1.00 0.00 H ATOM 996 N GLY A 151 -4.151 -9.495 11.352 1.00 34.73 N ATOM 997 CA GLY A 151 -5.226 -10.468 11.162 1.00 34.27 C ATOM 998 C GLY A 151 -5.958 -10.247 9.848 1.00 34.27 C ATOM 999 O GLY A 151 -6.372 -11.189 9.180 1.00 34.93 O ATOM 1000 H GLY A 151 -4.269 -8.732 12.048 1.00 0.00 H ATOM 1001 N TYR A 152 -6.137 -8.990 9.476 1.00 34.14 N ATOM 1002 CA TYR A 152 -6.742 -8.647 8.192 1.00 34.11 C ATOM 1003 C TYR A 152 -5.917 -9.231 7.027 1.00 34.78 C ATOM 1004 O TYR A 152 -6.475 -9.684 6.031 1.00 34.00 O ATOM 1005 CB TYR A 152 -6.827 -7.129 8.095 1.00 34.01 C ATOM 1006 CG TYR A 152 -7.516 -6.559 6.879 1.00 33.65 C ATOM 1007 CD1 TYR A 152 -8.869 -6.283 6.899 1.00 33.55 C ATOM 1008 CD2 TYR A 152 -6.795 -6.238 5.733 1.00 32.71 C ATOM 1009 CE1 TYR A 152 -9.495 -5.733 5.797 1.00 34.43 C ATOM 1010 CE2 TYR A 152 -7.410 -5.693 4.630 1.00 33.44 C ATOM 1011 CZ TYR A 152 -8.762 -5.424 4.660 1.00 34.38 C ATOM 1012 OH TYR A 152 -9.373 -4.848 3.548 1.00 34.78 O ATOM 1013 HH TYR A 152 -10.338 -4.722 3.731 1.00 0.00 H ATOM 1014 H TYR A 152 -5.839 -8.226 10.115 1.00 0.00 H ATOM 1015 N LEU A 153 -4.589 -9.240 7.179 1.00 35.63 N ATOM 1016 CA LEU A 153 -3.688 -9.737 6.137 1.00 35.44 C ATOM 1017 C LEU A 153 -3.795 -11.219 5.858 1.00 34.94 C ATOM 1018 O LEU A 153 -3.521 -11.645 4.745 1.00 35.75 O ATOM 1019 CB LEU A 153 -2.237 -9.448 6.502 1.00 35.49 C ATOM 1020 CG LEU A 153 -1.790 -7.991 6.559 1.00 36.62 C ATOM 1021 CD1 LEU A 153 -0.269 -7.961 6.703 1.00 36.56 C ATOM 1022 CD2 LEU A 153 -2.252 -7.182 5.349 1.00 37.51 C ATOM 1023 H LEU A 153 -4.182 -8.882 8.067 1.00 0.00 H ATOM 1024 N ALA A 154 -4.175 -12.007 6.854 1.00 34.21 N ATOM 1025 CA ALA A 154 -4.108 -13.459 6.718 1.00 34.71 C ATOM 1026 C ALA A 154 -5.452 -14.205 6.845 1.00 35.73 C ATOM 1027 O ALA A 154 -5.541 -15.386 6.501 1.00 37.33 O ATOM 1028 CB ALA A 154 -3.095 -14.006 7.713 1.00 34.82 C ATOM 1029 H ALA A 154 -4.524 -11.587 7.739 1.00 0.00 H ATOM 1030 N ASP A 155 -6.492 -13.531 7.321 1.00 36.13 N ATOM 1031 CA ASP A 155 -7.787 -14.154 7.491 1.00 36.77 C ATOM 1032 C ASP A 155 -8.164 -14.986 6.256 1.00 36.75 C ATOM 1033 O ASP A 155 -8.024 -14.532 5.141 1.00 36.57 O ATOM 1034 CB ASP A 155 -8.841 -13.076 7.763 1.00 39.05 C ATOM 1035 CG ASP A 155 -10.168 -13.656 8.278 1.00 42.59 C ATOM 1036 OD1 ASP A 155 -10.241 -14.878 8.547 1.00 45.55 O ATOM 1037 OD2 ASP A 155 -11.148 -12.894 8.435 1.00 43.32 O ATOM 1038 H ASP A 155 -6.373 -12.530 7.578 1.00 0.00 H ATOM 1039 N ASP A 156 -8.619 -16.213 6.480 1.00 37.51 N ATOM 1040 CA ASP A 156 -9.052 -17.125 5.421 1.00 39.74 C ATOM 1041 C ASP A 156 -7.959 -17.607 4.460 1.00 39.51 C ATOM 1042 O ASP A 156 -8.256 -18.327 3.503 1.00 40.41 O ATOM 1043 CB ASP A 156 -10.199 -16.529 4.601 1.00 42.60 C ATOM 1044 CG ASP A 156 -11.369 -16.117 5.453 1.00 45.73 C ATOM 1045 OD1 ASP A 156 -12.140 -17.008 5.878 1.00 47.27 O ATOM 1046 OD2 ASP A 156 -11.528 -14.893 5.696 1.00 48.61 O ATOM 1047 H ASP A 156 -8.671 -16.545 7.464 1.00 0.00 H ATOM 1048 N LEU A 157 -6.704 -17.253 4.716 1.00 38.80 N ATOM 1049 CA LEU A 157 -5.618 -17.630 3.810 1.00 39.54 C ATOM 1050 C LEU A 157 -4.696 -18.719 4.362 1.00 38.68 C ATOM 1051 O LEU A 157 -4.537 -18.873 5.562 1.00 38.59 O ATOM 1052 CB LEU A 157 -4.784 -16.398 3.444 1.00 39.91 C ATOM 1053 CG LEU A 157 -5.478 -15.285 2.654 1.00 40.31 C ATOM 1054 CD1 LEU A 157 -4.530 -14.097 2.516 1.00 39.95 C ATOM 1055 CD2 LEU A 157 -5.913 -15.794 1.296 1.00 41.40 C ATOM 1056 H LEU A 157 -6.491 -16.701 5.571 1.00 0.00 H ATOM 1057 N THR A 158 -4.082 -19.456 3.445 1.00 39.29 N ATOM 1058 CA THR A 158 -3.127 -20.511 3.760 1.00 39.80 C ATOM 1059 C THR A 158 -1.802 -20.198 3.057 1.00 39.20 C ATOM 1060 O THR A 158 -1.790 -19.781 1.902 1.00 40.45 O ATOM 1061 CB THR A 158 -3.645 -21.878 3.257 1.00 40.91 C ATOM 1062 OG1 THR A 158 -4.923 -22.131 3.828 1.00 42.84 O ATOM 1063 CG2 THR A 158 -2.738 -23.013 3.666 1.00 42.37 C ATOM 1064 HG1 THR A 158 -5.259 -23.006 3.508 1.00 0.00 H ATOM 1065 H THR A 158 -4.294 -19.270 2.444 1.00 0.00 H ATOM 1066 N TRP A 159 -0.694 -20.417 3.750 1.00 37.31 N ATOM 1067 CA TRP A 159 0.609 -20.280 3.149 1.00 36.46 C ATOM 1068 C TRP A 159 1.593 -21.235 3.788 1.00 38.14 C ATOM 1069 O TRP A 159 1.398 -21.667 4.945 1.00 37.05 O ATOM 1070 CB TRP A 159 1.118 -18.865 3.321 1.00 36.22 C ATOM 1071 CG TRP A 159 1.284 -18.441 4.744 1.00 35.14 C ATOM 1072 CD1 TRP A 159 2.428 -18.428 5.453 1.00 34.55 C ATOM 1073 CD2 TRP A 159 0.258 -17.962 5.616 1.00 35.28 C ATOM 1074 NE1 TRP A 159 2.194 -17.980 6.721 1.00 34.78 N ATOM 1075 CE2 TRP A 159 0.866 -17.684 6.849 1.00 35.37 C ATOM 1076 CE3 TRP A 159 -1.122 -17.740 5.471 1.00 35.93 C ATOM 1077 CZ2 TRP A 159 0.151 -17.189 7.946 1.00 36.59 C ATOM 1078 CZ3 TRP A 159 -1.839 -17.245 6.558 1.00 36.59 C ATOM 1079 CH2 TRP A 159 -1.196 -16.977 7.786 1.00 36.58 C ATOM 1080 HE1 TRP A 159 2.910 -17.880 7.468 1.00 0.00 H ATOM 1081 H TRP A 159 -0.766 -20.694 4.750 1.00 0.00 H ATOM 1082 N CYS A 160 2.624 -21.578 3.005 1.00 38.42 N ATOM 1083 CA CYS A 160 3.816 -22.257 3.504 1.00 38.83 C ATOM 1084 C CYS A 160 4.925 -22.217 2.465 1.00 39.48 C ATOM 1085 O CYS A 160 4.674 -21.988 1.280 1.00 39.22 O ATOM 1086 CB CYS A 160 3.527 -23.701 3.912 1.00 40.18 C ATOM 1087 SG CYS A 160 3.169 -24.820 2.553 1.00 42.16 S ATOM 1088 H CYS A 160 2.573 -21.349 1.992 1.00 0.00 H ATOM 1089 N GLY A 161 6.154 -22.416 2.936 1.00 40.34 N ATOM 1090 CA GLY A 161 7.329 -22.511 2.078 1.00 40.97 C ATOM 1091 C GLY A 161 7.957 -23.890 2.214 1.00 42.09 C ATOM 1092 O GLY A 161 7.267 -24.872 2.512 1.00 41.19 O ATOM 1093 H GLY A 161 6.282 -22.508 3.964 1.00 0.00 H ATOM 1094 N GLU A 162 9.271 -23.955 1.983 1.00 42.70 N ATOM 1095 CA GLU A 162 10.024 -25.203 2.042 1.00 42.08 C ATOM 1096 C GLU A 162 11.458 -24.923 2.378 1.00 41.10 C ATOM 1097 O GLU A 162 11.970 -23.850 2.074 1.00 40.33 O ATOM 1098 CB GLU A 162 9.959 -25.906 0.695 1.00 43.51 C ATOM 1099 CG GLU A 162 10.635 -25.158 -0.442 1.00 44.26 C ATOM 1100 CD GLU A 162 10.678 -25.964 -1.728 1.00 46.16 C ATOM 1101 OE1 GLU A 162 11.609 -25.759 -2.536 1.00 49.34 O ATOM 1102 OE2 GLU A 162 9.791 -26.804 -1.940 1.00 46.33 O ATOM 1103 H GLU A 162 9.779 -23.078 1.751 1.00 0.00 H ATOM 1104 N PHE A 163 12.118 -25.895 2.980 1.00 41.28 N ATOM 1105 CA PHE A 163 13.487 -25.695 3.419 1.00 42.90 C ATOM 1106 C PHE A 163 14.422 -25.341 2.270 1.00 44.16 C ATOM 1107 O PHE A 163 14.384 -25.974 1.213 1.00 43.43 O ATOM 1108 CB PHE A 163 14.014 -26.944 4.114 1.00 44.51 C ATOM 1109 CG PHE A 163 15.460 -26.852 4.552 1.00 45.49 C ATOM 1110 CD1 PHE A 163 15.864 -25.917 5.490 1.00 45.70 C ATOM 1111 CD2 PHE A 163 16.404 -27.721 4.052 1.00 46.84 C ATOM 1112 CE1 PHE A 163 17.183 -25.853 5.912 1.00 47.03 C ATOM 1113 CE2 PHE A 163 17.724 -27.657 4.468 1.00 48.54 C ATOM 1114 CZ PHE A 163 18.108 -26.724 5.401 1.00 48.50 C ATOM 1115 H PHE A 163 11.653 -26.811 3.141 1.00 0.00 H ATOM 1116 N ALA A 164 15.236 -24.304 2.512 1.00 45.40 N ATOM 1117 CA ALA A 164 16.411 -23.917 1.708 1.00 46.18 C ATOM 1118 C ALA A 164 16.151 -23.071 0.448 1.00 45.17 C ATOM 1119 O ALA A 164 17.044 -22.339 0.012 1.00 45.54 O ATOM 1120 CB ALA A 164 17.281 -25.128 1.388 1.00 47.95 C ATOM 1121 H ALA A 164 15.019 -23.718 3.343 1.00 0.00 H ATOM 1122 N THR A 165 14.956 -23.157 -0.128 1.00 43.81 N ATOM 1123 CA THR A 165 14.617 -22.350 -1.307 1.00 43.23 C ATOM 1124 C THR A 165 13.621 -21.260 -0.947 1.00 42.89 C ATOM 1125 O THR A 165 13.009 -21.298 0.110 1.00 42.27 O ATOM 1126 CB THR A 165 14.062 -23.205 -2.467 1.00 42.23 C ATOM 1127 OG1 THR A 165 12.644 -23.330 -2.352 1.00 39.06 O ATOM 1128 CG2 THR A 165 14.715 -24.577 -2.479 1.00 43.35 C ATOM 1129 HG1 THR A 165 12.301 -23.880 -3.100 1.00 0.00 H ATOM 1130 H THR A 165 14.247 -23.809 0.264 1.00 0.00 H ATOM 1131 N SER A 166 13.476 -20.283 -1.836 1.00 44.38 N ATOM 1132 CA SER A 166 12.569 -19.148 -1.612 1.00 44.06 C ATOM 1133 C SER A 166 11.185 -19.372 -2.217 1.00 44.49 C ATOM 1134 O SER A 166 10.333 -18.465 -2.183 1.00 44.39 O ATOM 1135 CB SER A 166 13.171 -17.885 -2.202 1.00 43.93 C ATOM 1136 OG SER A 166 14.410 -17.629 -1.603 1.00 44.14 O ATOM 1137 HG SER A 166 14.799 -16.805 -1.991 1.00 0.00 H ATOM 1138 H SER A 166 14.023 -20.323 -2.720 1.00 0.00 H ATOM 1139 N LYS A 167 10.972 -20.577 -2.757 1.00 45.16 N ATOM 1140 CA LYS A 167 9.700 -20.948 -3.378 1.00 44.64 C ATOM 1141 C LYS A 167 8.612 -21.098 -2.346 1.00 44.10 C ATOM 1142 O LYS A 167 8.880 -21.378 -1.164 1.00 45.80 O ATOM 1143 CB LYS A 167 9.811 -22.255 -4.174 1.00 46.00 C ATOM 1144 CG LYS A 167 10.855 -22.229 -5.278 1.00 48.85 C ATOM 1145 CD LYS A 167 10.633 -21.043 -6.211 1.00 50.30 C ATOM 1146 CE LYS A 167 11.897 -20.220 -6.374 1.00 52.61 C ATOM 1147 NZ LYS A 167 11.624 -18.855 -6.903 1.00 52.21 N ATOM 1148 HZ1 LYS A 167 11.168 -18.930 -7.835 1.00 0.00 H ATOM 1149 HZ2 LYS A 167 10.994 -18.350 -6.247 1.00 0.00 H ATOM 1150 HZ3 LYS A 167 12.520 -18.335 -6.995 1.00 0.00 H ATOM 1151 H LYS A 167 11.740 -21.278 -2.735 1.00 0.00 H ATOM 1152 N ILE A 168 7.388 -20.888 -2.821 1.00 42.69 N ATOM 1153 CA ILE A 168 6.166 -21.052 -2.050 1.00 41.94 C ATOM 1154 C ILE A 168 5.464 -22.316 -2.535 1.00 43.02 C ATOM 1155 O ILE A 168 5.399 -22.565 -3.750 1.00 46.05 O ATOM 1156 CB ILE A 168 5.238 -19.818 -2.228 1.00 41.11 C ATOM 1157 CG1 ILE A 168 5.864 -18.613 -1.510 1.00 39.71 C ATOM 1158 CG2 ILE A 168 3.820 -20.118 -1.727 1.00 40.88 C ATOM 1159 CD1 ILE A 168 4.988 -17.391 -1.450 1.00 39.06 C ATOM 1160 H ILE A 168 7.298 -20.586 -3.812 1.00 0.00 H ATOM 1161 N ASN A 169 4.931 -23.101 -1.597 1.00 41.47 N ATOM 1162 CA ASN A 169 4.223 -24.340 -1.935 1.00 40.86 C ATOM 1163 C ASN A 169 2.712 -24.101 -2.152 1.00 40.64 C ATOM 1164 O ASN A 169 1.939 -23.944 -1.201 1.00 39.45 O ATOM 1165 CB ASN A 169 4.468 -25.394 -0.853 1.00 40.35 C ATOM 1166 CG ASN A 169 4.098 -26.804 -1.303 1.00 41.76 C ATOM 1167 OD1 ASN A 169 3.347 -26.998 -2.259 1.00 40.81 O ATOM 1168 ND2 ASN A 169 4.619 -27.803 -0.589 1.00 42.64 N ATOM 1169 HD22 ASN A 169 5.250 -27.596 0.212 1.00 0.00 H ATOM 1170 HD21 ASN A 169 4.395 -28.789 -0.833 1.00 0.00 H ATOM 1171 H ASN A 169 5.020 -22.826 -0.598 1.00 0.00 H ATOM 1172 N TYR A 170 2.298 -24.074 -3.413 1.00 40.81 N ATOM 1173 CA TYR A 170 0.892 -23.926 -3.747 1.00 40.94 C ATOM 1174 C TYR A 170 0.183 -25.264 -3.864 1.00 42.91 C ATOM 1175 O TYR A 170 -1.019 -25.293 -4.073 1.00 42.10 O ATOM 1176 CB TYR A 170 0.748 -23.151 -5.048 1.00 41.46 C ATOM 1177 CG TYR A 170 1.274 -21.757 -4.949 1.00 41.24 C ATOM 1178 CD1 TYR A 170 0.504 -20.751 -4.370 1.00 41.13 C ATOM 1179 CD2 TYR A 170 2.549 -21.434 -5.410 1.00 41.66 C ATOM 1180 CE1 TYR A 170 0.982 -19.455 -4.258 1.00 40.36 C ATOM 1181 CE2 TYR A 170 3.036 -20.138 -5.308 1.00 41.36 C ATOM 1182 CZ TYR A 170 2.244 -19.161 -4.728 1.00 40.92 C ATOM 1183 OH TYR A 170 2.695 -17.880 -4.625 1.00 41.38 O ATOM 1184 HH TYR A 170 2.004 -17.322 -4.188 1.00 0.00 H ATOM 1185 H TYR A 170 2.996 -24.161 -4.179 1.00 0.00 H ATOM 1186 N GLN A 171 0.916 -26.369 -3.719 1.00 45.75 N ATOM 1187 CA GLN A 171 0.334 -27.703 -3.893 1.00 48.79 C ATOM 1188 C GLN A 171 -0.178 -28.317 -2.602 1.00 47.92 C ATOM 1189 O GLN A 171 -1.217 -28.960 -2.598 1.00 50.29 O ATOM 1190 CB GLN A 171 1.332 -28.631 -4.577 1.00 51.64 C ATOM 1191 CG GLN A 171 1.836 -28.072 -5.913 1.00 55.64 C ATOM 1192 CD GLN A 171 0.708 -27.590 -6.849 1.00 58.50 C ATOM 1193 OE1 GLN A 171 -0.069 -28.388 -7.394 1.00 59.34 O ATOM 1194 NE2 GLN A 171 0.624 -26.275 -7.038 1.00 59.46 N ATOM 1195 HE22 GLN A 171 1.294 -25.637 -6.563 1.00 0.00 H ATOM 1196 HE21 GLN A 171 -0.112 -25.885 -7.661 1.00 0.00 H ATOM 1197 H GLN A 171 1.924 -26.282 -3.477 1.00 0.00 H ATOM 1198 N SER A 172 0.556 -28.143 -1.514 1.00 46.33 N ATOM 1199 CA SER A 172 0.081 -28.564 -0.199 1.00 46.03 C ATOM 1200 C SER A 172 0.880 -27.871 0.901 1.00 44.56 C ATOM 1201 O SER A 172 1.978 -27.373 0.671 1.00 42.37 O ATOM 1202 CB SER A 172 0.120 -30.097 -0.033 1.00 47.02 C ATOM 1203 OG SER A 172 1.441 -30.582 0.141 1.00 46.92 O ATOM 1204 HG SER A 172 1.419 -31.566 0.243 1.00 0.00 H ATOM 1205 H SER A 172 1.492 -27.697 -1.598 1.00 0.00 H ATOM 1206 N CYS A 173 0.283 -27.804 2.087 1.00 45.59 N ATOM 1207 CA CYS A 173 0.964 -27.351 3.302 1.00 44.32 C ATOM 1208 C CYS A 173 0.588 -28.250 4.469 1.00 45.61 C ATOM 1209 O CYS A 173 -0.476 -28.858 4.462 1.00 45.26 O ATOM 1210 CB CYS A 173 0.587 -25.921 3.626 1.00 42.34 C ATOM 1211 SG CYS A 173 1.146 -24.769 2.381 1.00 41.08 S ATOM 1212 H CYS A 173 -0.715 -28.087 2.155 1.00 0.00 H ATOM 1213 N PRO A 174 1.458 -28.323 5.485 1.00 47.68 N ATOM 1214 CA PRO A 174 1.228 -29.238 6.599 1.00 49.16 C ATOM 1215 C PRO A 174 -0.140 -29.046 7.254 1.00 51.05 C ATOM 1216 O PRO A 174 -0.585 -27.907 7.417 1.00 50.15 O ATOM 1217 CB PRO A 174 2.338 -28.880 7.587 1.00 48.59 C ATOM 1218 CG PRO A 174 3.377 -28.195 6.797 1.00 47.89 C ATOM 1219 CD PRO A 174 2.667 -27.501 5.685 1.00 47.34 C ATOM 1220 N ASP A 175 -0.797 -30.162 7.582 1.00 54.45 N ATOM 1221 CA ASP A 175 -2.016 -30.187 8.390 1.00 54.73 C ATOM 1222 C ASP A 175 -1.594 -30.093 9.841 1.00 55.93 C ATOM 1223 O ASP A 175 -0.654 -30.771 10.254 1.00 55.17 O ATOM 1224 CB ASP A 175 -2.763 -31.507 8.172 1.00 57.36 C ATOM 1225 CG ASP A 175 -4.193 -31.480 8.695 1.00 58.45 C ATOM 1226 OD1 ASP A 175 -5.038 -30.916 7.981 1.00 58.74 O ATOM 1227 OD2 ASP A 175 -4.488 -32.049 9.779 1.00 60.43 O ATOM 1228 H ASP A 175 -0.418 -31.069 7.242 1.00 0.00 H ATOM 1229 N TRP A 176 -2.308 -29.284 10.620 1.00 58.70 N ATOM 1230 CA TRP A 176 -1.992 -29.098 12.041 1.00 60.37 C ATOM 1231 C TRP A 176 -2.078 -30.445 12.814 1.00 60.16 C ATOM 1232 O TRP A 176 -1.286 -30.707 13.742 1.00 56.53 O ATOM 1233 CB TRP A 176 -2.888 -28.002 12.658 1.00 63.64 C ATOM 1234 CG TRP A 176 -3.742 -28.482 13.775 1.00 74.72 C ATOM 1235 CD1 TRP A 176 -4.996 -29.044 13.685 1.00 78.84 C ATOM 1236 CD2 TRP A 176 -3.398 -28.479 15.173 1.00 84.44 C ATOM 1237 NE1 TRP A 176 -5.446 -29.392 14.946 1.00 84.26 N ATOM 1238 CE2 TRP A 176 -4.490 -29.056 15.875 1.00 87.38 C ATOM 1239 CE3 TRP A 176 -2.270 -28.045 15.902 1.00 88.75 C ATOM 1240 CZ2 TRP A 176 -4.488 -29.208 17.283 1.00 89.78 C ATOM 1241 CZ3 TRP A 176 -2.267 -28.199 17.309 1.00 89.61 C ATOM 1242 CH2 TRP A 176 -3.373 -28.778 17.976 1.00 90.50 C ATOM 1243 HE1 TRP A 176 -6.362 -29.837 15.158 1.00 0.00 H ATOM 1244 H TRP A 176 -3.113 -28.769 10.210 1.00 0.00 H ATOM 1245 N ARG A 177 -3.024 -31.298 12.406 1.00 60.23 N ATOM 1246 CA ARG A 177 -3.233 -32.604 13.036 1.00 61.03 C ATOM 1247 C ARG A 177 -2.331 -33.674 12.417 1.00 60.46 C ATOM 1248 O ARG A 177 -1.459 -34.219 13.080 1.00 61.48 O ATOM 1249 CB ARG A 177 -4.706 -33.014 12.920 1.00 61.91 C ATOM 1250 H ARG A 177 -3.635 -31.023 11.610 1.00 0.00 H ATOM 1251 N LYS A 178 -2.523 -33.956 11.140 1.00 59.26 N ATOM 1252 CA LYS A 178 -1.864 -35.106 10.524 1.00 63.06 C ATOM 1253 C LYS A 178 -0.334 -34.975 10.342 1.00 62.72 C ATOM 1254 O LYS A 178 0.357 -36.000 10.234 1.00 62.88 O ATOM 1255 CB LYS A 178 -2.485 -35.403 9.158 1.00 65.03 C ATOM 1256 CG LYS A 178 -3.996 -35.515 9.151 1.00 67.97 C ATOM 1257 CD LYS A 178 -4.459 -36.116 7.836 1.00 71.04 C ATOM 1258 CE LYS A 178 -5.930 -35.852 7.557 1.00 71.95 C ATOM 1259 NZ LYS A 178 -6.350 -36.585 6.330 1.00 73.65 N ATOM 1260 HZ1 LYS A 178 -5.782 -36.260 5.522 1.00 0.00 H ATOM 1261 HZ2 LYS A 178 -6.203 -37.605 6.470 1.00 0.00 H ATOM 1262 HZ3 LYS A 178 -7.357 -36.400 6.145 1.00 0.00 H ATOM 1263 H LYS A 178 -3.149 -33.354 10.568 1.00 0.00 H ATOM 1264 N ASP A 179 0.185 -33.739 10.299 1.00 59.25 N ATOM 1265 CA ASP A 179 1.581 -33.492 9.888 1.00 56.89 C ATOM 1266 C ASP A 179 2.462 -32.779 10.923 1.00 56.70 C ATOM 1267 O ASP A 179 3.495 -33.333 11.336 1.00 55.75 O ATOM 1268 CB ASP A 179 1.594 -32.681 8.588 1.00 56.52 C ATOM 1269 CG ASP A 179 0.976 -33.430 7.420 1.00 55.92 C ATOM 1270 OD1 ASP A 179 1.247 -34.632 7.290 1.00 58.66 O ATOM 1271 OD2 ASP A 179 0.240 -32.815 6.624 1.00 53.62 O ATOM 1272 H ASP A 179 -0.414 -32.931 10.563 1.00 0.00 H ATOM 1273 N CYS A 180 2.061 -31.558 11.316 1.00 56.48 N ATOM 1274 CA CYS A 180 2.846 -30.667 12.205 1.00 56.00 C ATOM 1275 C CYS A 180 1.982 -29.626 12.883 1.00 54.73 C ATOM 1276 O CYS A 180 1.264 -28.878 12.201 1.00 52.73 O ATOM 1277 CB CYS A 180 3.870 -29.860 11.398 1.00 56.93 C ATOM 1278 SG CYS A 180 5.055 -30.892 10.551 1.00 63.72 S ATOM 1279 H CYS A 180 1.140 -31.215 10.975 1.00 0.00 H ATOM 1280 N SER A 181 2.105 -29.510 14.203 1.00 54.46 N ATOM 1281 CA SER A 181 1.496 -28.387 14.917 1.00 53.14 C ATOM 1282 C SER A 181 2.248 -27.081 14.630 1.00 50.69 C ATOM 1283 O SER A 181 1.631 -26.023 14.552 1.00 50.33 O ATOM 1284 CB SER A 181 1.439 -28.653 16.426 1.00 55.58 C ATOM 1285 OG SER A 181 2.734 -28.745 16.995 1.00 59.17 O ATOM 1286 HG SER A 181 2.655 -28.917 17.967 1.00 0.00 H ATOM 1287 H SER A 181 2.641 -30.226 14.734 1.00 0.00 H ATOM 1288 N ASN A 182 3.565 -27.159 14.444 1.00 49.11 N ATOM 1289 CA ASN A 182 4.378 -25.968 14.197 1.00 48.34 C ATOM 1290 C ASN A 182 4.523 -25.540 12.729 1.00 45.72 C ATOM 1291 O ASN A 182 5.628 -25.269 12.258 1.00 46.92 O ATOM 1292 CB ASN A 182 5.763 -26.146 14.828 1.00 51.01 C ATOM 1293 CG ASN A 182 5.804 -25.691 16.275 1.00 52.15 C ATOM 1294 OD1 ASN A 182 5.109 -24.739 16.664 1.00 53.09 O ATOM 1295 ND2 ASN A 182 6.636 -26.350 17.080 1.00 52.26 N ATOM 1296 HD22 ASN A 182 7.199 -27.142 16.710 1.00 0.00 H ATOM 1297 HD21 ASN A 182 6.722 -26.072 18.079 1.00 0.00 H ATOM 1298 H ASN A 182 4.027 -28.090 14.475 1.00 0.00 H ATOM 1299 N ASN A 183 3.407 -25.442 12.021 1.00 42.09 N ATOM 1300 CA ASN A 183 3.416 -24.905 10.667 1.00 39.95 C ATOM 1301 C ASN A 183 3.309 -23.371 10.640 1.00 38.20 C ATOM 1302 O ASN A 183 3.104 -22.743 11.687 1.00 36.33 O ATOM 1303 CB ASN A 183 2.333 -25.569 9.826 1.00 39.85 C ATOM 1304 CG ASN A 183 0.946 -25.231 10.292 1.00 39.18 C ATOM 1305 OD1 ASN A 183 0.439 -24.159 10.001 1.00 38.73 O ATOM 1306 ND2 ASN A 183 0.315 -26.153 11.000 1.00 40.42 N ATOM 1307 HD22 ASN A 183 0.788 -27.052 11.223 1.00 0.00 H ATOM 1308 HD21 ASN A 183 -0.655 -25.979 11.334 1.00 0.00 H ATOM 1309 H ASN A 183 2.508 -25.754 12.440 1.00 0.00 H ATOM 1310 N PRO A 184 3.503 -22.756 9.450 1.00 37.77 N ATOM 1311 CA PRO A 184 3.493 -21.283 9.325 1.00 36.64 C ATOM 1312 C PRO A 184 2.153 -20.601 9.605 1.00 35.07 C ATOM 1313 O PRO A 184 2.128 -19.499 10.157 1.00 32.93 O ATOM 1314 CB PRO A 184 3.881 -21.052 7.860 1.00 37.42 C ATOM 1315 CG PRO A 184 4.696 -22.236 7.504 1.00 38.89 C ATOM 1316 CD PRO A 184 4.057 -23.387 8.237 1.00 38.66 C ATOM 1317 N VAL A 185 1.062 -21.233 9.175 1.00 34.99 N ATOM 1318 CA VAL A 185 -0.276 -20.729 9.456 1.00 34.43 C ATOM 1319 C VAL A 185 -0.563 -20.798 10.975 1.00 34.94 C ATOM 1320 O VAL A 185 -0.893 -19.793 11.609 1.00 34.59 O ATOM 1321 CB VAL A 185 -1.343 -21.502 8.662 1.00 33.28 C ATOM 1322 CG1 VAL A 185 -2.731 -21.183 9.180 1.00 33.61 C ATOM 1323 CG2 VAL A 185 -1.260 -21.141 7.200 1.00 33.11 C ATOM 1324 H VAL A 185 1.168 -22.109 8.624 1.00 0.00 H ATOM 1325 N SER A 186 -0.410 -21.982 11.545 1.00 35.35 N ATOM 1326 CA SER A 186 -0.688 -22.198 12.956 1.00 36.66 C ATOM 1327 C SER A 186 0.182 -21.327 13.852 1.00 37.01 C ATOM 1328 O SER A 186 -0.337 -20.691 14.765 1.00 36.16 O ATOM 1329 CB SER A 186 -0.502 -23.672 13.314 1.00 38.29 C ATOM 1330 OG SER A 186 -1.378 -24.505 12.552 1.00 39.18 O ATOM 1331 HG SER A 186 -1.187 -24.388 11.588 1.00 0.00 H ATOM 1332 H SER A 186 -0.081 -22.782 10.967 1.00 0.00 H ATOM 1333 N VAL A 187 1.488 -21.267 13.570 1.00 37.43 N ATOM 1334 CA VAL A 187 2.397 -20.430 14.360 1.00 37.84 C ATOM 1335 C VAL A 187 2.047 -18.956 14.192 1.00 36.91 C ATOM 1336 O VAL A 187 2.213 -18.172 15.124 1.00 35.86 O ATOM 1337 CB VAL A 187 3.890 -20.677 14.013 1.00 39.46 C ATOM 1338 CG1 VAL A 187 4.819 -19.681 14.705 1.00 39.54 C ATOM 1339 CG2 VAL A 187 4.302 -22.072 14.434 1.00 42.29 C ATOM 1340 H VAL A 187 1.866 -21.824 12.777 1.00 0.00 H ATOM 1341 N PHE A 188 1.560 -18.573 13.016 1.00 37.15 N ATOM 1342 CA PHE A 188 1.169 -17.183 12.804 1.00 37.93 C ATOM 1343 C PHE A 188 0.042 -16.816 13.754 1.00 38.47 C ATOM 1344 O PHE A 188 0.180 -15.879 14.538 1.00 39.78 O ATOM 1345 CB PHE A 188 0.731 -16.901 11.362 1.00 38.17 C ATOM 1346 CG PHE A 188 0.054 -15.557 11.186 1.00 37.79 C ATOM 1347 CD1 PHE A 188 0.795 -14.391 11.124 1.00 37.15 C ATOM 1348 CD2 PHE A 188 -1.335 -15.461 11.106 1.00 38.60 C ATOM 1349 CE1 PHE A 188 0.167 -13.159 10.982 1.00 37.16 C ATOM 1350 CE2 PHE A 188 -1.968 -14.226 10.956 1.00 37.55 C ATOM 1351 CZ PHE A 188 -1.214 -13.077 10.893 1.00 37.09 C ATOM 1352 H PHE A 188 1.457 -19.265 12.246 1.00 0.00 H ATOM 1353 N TRP A 189 -1.056 -17.565 13.705 1.00 37.81 N ATOM 1354 CA TRP A 189 -2.231 -17.241 14.527 1.00 37.87 C ATOM 1355 C TRP A 189 -1.970 -17.334 16.017 1.00 39.50 C ATOM 1356 O TRP A 189 -2.414 -16.467 16.766 1.00 40.01 O ATOM 1357 CB TRP A 189 -3.414 -18.109 14.138 1.00 37.78 C ATOM 1358 CG TRP A 189 -3.883 -17.743 12.794 1.00 36.96 C ATOM 1359 CD1 TRP A 189 -3.792 -18.498 11.675 1.00 37.85 C ATOM 1360 CD2 TRP A 189 -4.461 -16.498 12.399 1.00 37.12 C ATOM 1361 NE1 TRP A 189 -4.299 -17.819 10.600 1.00 38.39 N ATOM 1362 CE2 TRP A 189 -4.724 -16.584 11.013 1.00 37.64 C ATOM 1363 CE3 TRP A 189 -4.795 -15.317 13.081 1.00 37.66 C ATOM 1364 CZ2 TRP A 189 -5.328 -15.535 10.283 1.00 37.20 C ATOM 1365 CZ3 TRP A 189 -5.394 -14.267 12.352 1.00 38.15 C ATOM 1366 CH2 TRP A 189 -5.651 -14.391 10.969 1.00 37.36 C ATOM 1367 HE1 TRP A 189 -4.353 -18.182 9.627 1.00 0.00 H ATOM 1368 H TRP A 189 -1.084 -18.392 13.076 1.00 0.00 H ATOM 1369 N LYS A 190 -1.232 -18.364 16.438 1.00 41.02 N ATOM 1370 CA LYS A 190 -0.772 -18.477 17.823 1.00 40.88 C ATOM 1371 C LYS A 190 -0.080 -17.197 18.269 1.00 40.35 C ATOM 1372 O LYS A 190 -0.427 -16.623 19.285 1.00 40.12 O ATOM 1373 CB LYS A 190 0.169 -19.660 17.967 1.00 42.53 C ATOM 1374 CG LYS A 190 0.542 -20.000 19.401 1.00 45.89 C ATOM 1375 CD LYS A 190 1.356 -21.293 19.494 1.00 49.01 C ATOM 1376 CE LYS A 190 2.467 -21.357 18.440 1.00 50.77 C ATOM 1377 NZ LYS A 190 3.500 -22.404 18.703 1.00 53.83 N ATOM 1378 HZ1 LYS A 190 3.957 -22.216 19.618 1.00 0.00 H ATOM 1379 HZ2 LYS A 190 3.046 -23.339 18.726 1.00 0.00 H ATOM 1380 HZ3 LYS A 190 4.214 -22.383 17.947 1.00 0.00 H ATOM 1381 H LYS A 190 -0.976 -19.110 15.760 1.00 0.00 H ATOM 1382 N THR A 191 0.871 -16.726 17.481 1.00 41.36 N ATOM 1383 CA THR A 191 1.679 -15.568 17.869 1.00 42.55 C ATOM 1384 C THR A 191 0.842 -14.302 18.024 1.00 40.98 C ATOM 1385 O THR A 191 0.997 -13.590 19.005 1.00 40.69 O ATOM 1386 CB THR A 191 2.830 -15.309 16.865 1.00 43.39 C ATOM 1387 OG1 THR A 191 3.440 -16.553 16.491 1.00 44.09 O ATOM 1388 CG2 THR A 191 3.891 -14.412 17.479 1.00 45.01 C ATOM 1389 HG1 THR A 191 2.762 -17.138 16.068 1.00 0.00 H ATOM 1390 H THR A 191 1.049 -17.188 16.566 1.00 0.00 H ATOM 1391 N VAL A 192 -0.034 -14.024 17.063 1.00 41.18 N ATOM 1392 CA VAL A 192 -0.864 -12.801 17.110 1.00 42.21 C ATOM 1393 C VAL A 192 -2.024 -12.912 18.083 1.00 41.98 C ATOM 1394 O VAL A 192 -2.406 -11.910 18.681 1.00 43.14 O ATOM 1395 CB VAL A 192 -1.431 -12.340 15.732 1.00 42.12 C ATOM 1396 CG1 VAL A 192 -0.315 -11.844 14.825 1.00 42.54 C ATOM 1397 CG2 VAL A 192 -2.252 -13.419 15.047 1.00 42.69 C ATOM 1398 H VAL A 192 -0.137 -14.680 16.262 1.00 0.00 H ATOM 1399 N SER A 193 -2.586 -14.114 18.225 1.00 42.10 N ATOM 1400 CA SER A 193 -3.623 -14.379 19.234 1.00 43.30 C ATOM 1401 C SER A 193 -3.136 -14.020 20.636 1.00 45.13 C ATOM 1402 O SER A 193 -3.868 -13.391 21.403 1.00 45.71 O ATOM 1403 CB SER A 193 -4.039 -15.848 19.218 1.00 42.73 C ATOM 1404 OG SER A 193 -4.560 -16.216 17.955 1.00 41.35 O ATOM 1405 HG SER A 193 -3.869 -16.074 17.260 1.00 0.00 H ATOM 1406 H SER A 193 -2.281 -14.889 17.602 1.00 0.00 H ATOM 1407 N ARG A 194 -1.898 -14.431 20.938 1.00 45.71 N ATOM 1408 CA ARG A 194 -1.227 -14.139 22.207 1.00 46.56 C ATOM 1409 C ARG A 194 -1.093 -12.631 22.444 1.00 47.16 C ATOM 1410 O ARG A 194 -1.494 -12.137 23.498 1.00 47.61 O ATOM 1411 CB ARG A 194 0.170 -14.794 22.243 1.00 47.78 C ATOM 1412 CG ARG A 194 0.888 -14.736 23.603 1.00 50.18 C ATOM 1413 CD ARG A 194 2.400 -14.926 23.488 1.00 50.38 C ATOM 1414 NE ARG A 194 2.723 -16.226 22.916 1.00 49.58 N ATOM 1415 HE ARG A 194 1.960 -16.880 22.648 1.00 0.00 H ATOM 1416 H ARG A 194 -1.382 -14.991 20.229 1.00 0.00 H ATOM 1417 N ARG A 195 -0.537 -11.912 21.464 1.00 47.52 N ATOM 1418 CA ARG A 195 -0.268 -10.480 21.617 1.00 48.67 C ATOM 1419 C ARG A 195 -1.576 -9.717 21.747 1.00 45.74 C ATOM 1420 O ARG A 195 -1.701 -8.858 22.629 1.00 47.24 O ATOM 1421 CB ARG A 195 0.623 -9.914 20.488 1.00 51.38 C ATOM 1422 CG ARG A 195 1.372 -8.647 20.928 1.00 56.95 C ATOM 1423 CD ARG A 195 2.319 -8.044 19.886 1.00 61.02 C ATOM 1424 NE ARG A 195 1.647 -7.724 18.610 1.00 64.85 N ATOM 1425 CZ ARG A 195 2.122 -6.905 17.664 1.00 66.54 C ATOM 1426 NH1 ARG A 195 1.415 -6.707 16.546 1.00 65.66 N ATOM 1427 NH2 ARG A 195 3.288 -6.276 17.825 1.00 66.58 N ATOM 1428 HE ARG A 195 0.726 -8.173 18.432 1.00 0.00 H ATOM 1429 HH12 ARG A 195 1.778 -6.072 15.807 1.00 0.00 H ATOM 1430 HH11 ARG A 195 0.502 -7.188 16.416 1.00 0.00 H ATOM 1431 HH22 ARG A 195 3.644 -5.643 17.081 1.00 0.00 H ATOM 1432 HH21 ARG A 195 3.840 -6.419 18.694 1.00 0.00 H ATOM 1433 H ARG A 195 -0.289 -12.381 20.570 1.00 0.00 H ATOM 1434 N PHE A 196 -2.550 -10.080 20.913 1.00 42.83 N ATOM 1435 CA PHE A 196 -3.902 -9.519 20.970 1.00 42.14 C ATOM 1436 C PHE A 196 -4.556 -9.661 22.357 1.00 42.44 C ATOM 1437 O PHE A 196 -5.037 -8.674 22.929 1.00 42.56 O ATOM 1438 CB PHE A 196 -4.788 -10.168 19.895 1.00 41.86 C ATOM 1439 CG PHE A 196 -6.076 -9.404 19.587 1.00 42.96 C ATOM 1440 CD1 PHE A 196 -6.054 -8.044 19.270 1.00 42.20 C ATOM 1441 CD2 PHE A 196 -7.309 -10.067 19.566 1.00 42.70 C ATOM 1442 CE1 PHE A 196 -7.216 -7.360 18.967 1.00 41.45 C ATOM 1443 CE2 PHE A 196 -8.472 -9.380 19.262 1.00 42.38 C ATOM 1444 CZ PHE A 196 -8.422 -8.026 18.960 1.00 41.95 C ATOM 1445 H PHE A 196 -2.340 -10.795 20.188 1.00 0.00 H ATOM 1446 N ALA A 197 -4.556 -10.879 22.897 1.00 41.54 N ATOM 1447 CA ALA A 197 -5.239 -11.172 24.155 1.00 40.35 C ATOM 1448 C ALA A 197 -4.519 -10.572 25.356 1.00 41.88 C ATOM 1449 O ALA A 197 -5.155 -10.221 26.344 1.00 41.62 O ATOM 1450 CB ALA A 197 -5.392 -12.666 24.322 1.00 40.11 C ATOM 1451 H ALA A 197 -4.053 -11.646 22.407 1.00 0.00 H ATOM 1452 N GLU A 198 -3.195 -10.448 25.271 1.00 43.20 N ATOM 1453 CA GLU A 198 -2.420 -9.789 26.331 1.00 45.31 C ATOM 1454 C GLU A 198 -2.697 -8.297 26.382 1.00 46.32 C ATOM 1455 O GLU A 198 -2.673 -7.694 27.454 1.00 47.56 O ATOM 1456 CB GLU A 198 -0.927 -10.024 26.147 1.00 46.97 C ATOM 1457 CG GLU A 198 -0.513 -11.436 26.515 1.00 49.43 C ATOM 1458 CD GLU A 198 0.989 -11.649 26.515 1.00 53.08 C ATOM 1459 OE1 GLU A 198 1.697 -11.053 25.657 1.00 50.87 O ATOM 1460 OE2 GLU A 198 1.446 -12.440 27.380 1.00 58.76 O ATOM 1461 H GLU A 198 -2.700 -10.825 24.438 1.00 0.00 H ATOM 1462 N ALA A 199 -2.968 -7.715 25.213 1.00 45.45 N ATOM 1463 CA ALA A 199 -3.269 -6.291 25.085 1.00 43.84 C ATOM 1464 C ALA A 199 -4.559 -5.919 25.788 1.00 43.04 C ATOM 1465 O ALA A 199 -4.670 -4.848 26.370 1.00 43.71 O ATOM 1466 CB ALA A 199 -3.344 -5.913 23.612 1.00 43.05 C ATOM 1467 H ALA A 199 -2.965 -8.301 24.354 1.00 0.00 H ATOM 1468 N ALA A 200 -5.523 -6.831 25.747 1.00 42.58 N ATOM 1469 CA ALA A 200 -6.913 -6.561 26.161 1.00 41.50 C ATOM 1470 C ALA A 200 -7.050 -6.040 27.580 1.00 41.17 C ATOM 1471 O ALA A 200 -6.246 -6.361 28.440 1.00 41.08 O ATOM 1472 CB ALA A 200 -7.764 -7.818 25.977 1.00 40.55 C ATOM 1473 H ALA A 200 -5.286 -7.784 25.406 1.00 0.00 H ATOM 1474 N CYS A 201 -8.092 -5.238 27.798 1.00 42.28 N ATOM 1475 CA CYS A 201 -8.419 -4.686 29.117 1.00 43.97 C ATOM 1476 C CYS A 201 -9.937 -4.564 29.356 1.00 44.38 C ATOM 1477 O CYS A 201 -10.744 -4.811 28.451 1.00 41.52 O ATOM 1478 CB CYS A 201 -7.731 -3.326 29.315 1.00 45.50 C ATOM 1479 SG CYS A 201 -8.389 -1.961 28.333 1.00 46.08 S ATOM 1480 H CYS A 201 -8.703 -4.992 26.993 1.00 0.00 H ATOM 1481 N ASP A 202 -10.283 -4.186 30.596 1.00 46.57 N ATOM 1482 CA ASP A 202 -11.664 -3.953 31.075 1.00 47.23 C ATOM 1483 C ASP A 202 -12.547 -5.195 30.986 1.00 46.81 C ATOM 1484 O ASP A 202 -12.315 -6.179 31.698 1.00 47.20 O ATOM 1485 CB ASP A 202 -12.312 -2.776 30.341 1.00 47.88 C ATOM 1486 CG ASP A 202 -11.786 -1.459 30.778 1.00 49.17 C ATOM 1487 OD1 ASP A 202 -11.010 -1.404 31.725 1.00 51.94 O ATOM 1488 OD2 ASP A 202 -12.196 -0.450 30.207 1.00 50.19 O ATOM 1489 H ASP A 202 -9.513 -4.044 31.281 1.00 0.00 H ATOM 1490 N VAL A 203 -13.561 -5.135 30.122 1.00 46.77 N ATOM 1491 CA VAL A 203 -14.423 -6.262 29.817 1.00 46.06 C ATOM 1492 C VAL A 203 -14.128 -6.771 28.411 1.00 45.31 C ATOM 1493 O VAL A 203 -14.331 -6.085 27.395 1.00 45.76 O ATOM 1494 CB VAL A 203 -15.900 -5.873 29.892 1.00 47.09 C ATOM 1495 CG1 VAL A 203 -16.770 -7.091 29.667 1.00 47.35 C ATOM 1496 CG2 VAL A 203 -16.210 -5.246 31.243 1.00 48.82 C ATOM 1497 H VAL A 203 -13.744 -4.231 29.641 1.00 0.00 H ATOM 1498 N VAL A 204 -13.623 -7.984 28.362 1.00 44.63 N ATOM 1499 CA VAL A 204 -13.377 -8.646 27.103 1.00 44.09 C ATOM 1500 C VAL A 204 -14.608 -9.498 26.861 1.00 44.89 C ATOM 1501 O VAL A 204 -15.026 -10.241 27.750 1.00 46.96 O ATOM 1502 CB VAL A 204 -12.092 -9.507 27.158 1.00 42.39 C ATOM 1503 CG1 VAL A 204 -11.960 -10.360 25.917 1.00 41.22 C ATOM 1504 CG2 VAL A 204 -10.872 -8.616 27.297 1.00 42.07 C ATOM 1505 H VAL A 204 -13.396 -8.477 29.249 1.00 0.00 H ATOM 1506 N HIS A 205 -15.208 -9.351 25.684 1.00 44.80 N ATOM 1507 CA HIS A 205 -16.354 -10.151 25.294 1.00 45.05 C ATOM 1508 C HIS A 205 -15.898 -11.215 24.334 1.00 44.92 C ATOM 1509 O HIS A 205 -15.025 -10.976 23.512 1.00 44.32 O ATOM 1510 CB HIS A 205 -17.396 -9.284 24.628 1.00 46.08 C ATOM 1511 CG HIS A 205 -17.863 -8.156 25.485 1.00 47.40 C ATOM 1512 ND1 HIS A 205 -19.055 -8.189 26.178 1.00 49.47 N ATOM 1513 CD2 HIS A 205 -17.293 -6.965 25.772 1.00 47.82 C ATOM 1514 CE1 HIS A 205 -19.206 -7.061 26.848 1.00 50.72 C ATOM 1515 NE2 HIS A 205 -18.149 -6.303 26.622 1.00 50.14 N ATOM 1516 H HIS A 205 -14.844 -8.638 25.020 1.00 0.00 H ATOM 1517 N VAL A 206 -16.505 -12.392 24.441 1.00 46.55 N ATOM 1518 CA VAL A 206 -16.181 -13.518 23.580 1.00 45.53 C ATOM 1519 C VAL A 206 -17.474 -14.125 23.046 1.00 48.11 C ATOM 1520 O VAL A 206 -18.396 -14.402 23.807 1.00 48.82 O ATOM 1521 CB VAL A 206 -15.342 -14.584 24.322 1.00 45.22 C ATOM 1522 CG1 VAL A 206 -16.068 -15.127 25.560 1.00 46.33 C ATOM 1523 CG2 VAL A 206 -14.966 -15.715 23.379 1.00 44.81 C ATOM 1524 H VAL A 206 -17.239 -12.512 25.168 1.00 0.00 H ATOM 1525 N MET A 207 -17.531 -14.324 21.728 1.00 50.02 N ATOM 1526 CA MET A 207 -18.641 -15.044 21.079 1.00 51.61 C ATOM 1527 C MET A 207 -18.363 -16.527 20.962 1.00 50.71 C ATOM 1528 O MET A 207 -17.248 -16.929 20.609 1.00 48.41 O ATOM 1529 CB MET A 207 -18.868 -14.530 19.663 1.00 53.25 C ATOM 1530 CG MET A 207 -19.701 -13.276 19.581 1.00 56.45 C ATOM 1531 SD MET A 207 -20.393 -13.086 17.934 1.00 59.76 S ATOM 1532 CE MET A 207 -21.355 -11.592 18.173 1.00 61.38 C ATOM 1533 H MET A 207 -16.761 -13.956 21.134 1.00 0.00 H ATOM 1534 N LEU A 208 -19.393 -17.328 21.217 1.00 51.51 N ATOM 1535 CA LEU A 208 -19.308 -18.777 21.046 1.00 52.43 C ATOM 1536 C LEU A 208 -20.528 -19.283 20.290 1.00 55.17 C ATOM 1537 O LEU A 208 -21.559 -18.601 20.269 1.00 57.63 O ATOM 1538 CB LEU A 208 -19.219 -19.449 22.402 1.00 52.40 C ATOM 1539 CG LEU A 208 -18.120 -18.925 23.323 1.00 50.57 C ATOM 1540 CD1 LEU A 208 -18.511 -19.112 24.781 1.00 51.77 C ATOM 1541 CD2 LEU A 208 -16.799 -19.596 23.011 1.00 49.26 C ATOM 1542 H LEU A 208 -20.286 -16.911 21.548 1.00 0.00 H ATOM 1543 N ASP A 209 -20.407 -20.468 19.682 1.00 55.91 N ATOM 1544 CA ASP A 209 -21.455 -21.036 18.818 1.00 58.49 C ATOM 1545 C ASP A 209 -22.311 -22.062 19.559 1.00 61.24 C ATOM 1546 O ASP A 209 -21.817 -23.124 19.943 1.00 62.89 O ATOM 1547 CB ASP A 209 -20.822 -21.691 17.585 1.00 57.93 C ATOM 1548 CG ASP A 209 -21.846 -22.078 16.529 1.00 59.53 C ATOM 1549 OD1 ASP A 209 -23.064 -21.970 16.776 1.00 59.77 O ATOM 1550 OD2 ASP A 209 -21.417 -22.487 15.434 1.00 60.59 O ATOM 1551 H ASP A 209 -19.533 -21.013 19.826 1.00 0.00 H ATOM 1552 N GLY A 210 -23.596 -21.757 19.722 1.00 62.87 N ATOM 1553 CA GLY A 210 -24.513 -22.608 20.483 1.00 65.75 C ATOM 1554 C GLY A 210 -25.067 -23.826 19.755 1.00 69.20 C ATOM 1555 O GLY A 210 -25.781 -24.632 20.351 1.00 71.80 O ATOM 1556 H GLY A 210 -23.962 -20.883 19.294 1.00 0.00 H ATOM 1557 N SER A 211 -24.766 -23.964 18.471 1.00 70.18 N ATOM 1558 CA SER A 211 -25.126 -25.163 17.733 1.00 74.01 C ATOM 1559 C SER A 211 -24.022 -26.251 17.801 1.00 76.30 C ATOM 1560 O SER A 211 -24.263 -27.394 17.425 1.00 79.54 O ATOM 1561 CB SER A 211 -25.457 -24.790 16.282 1.00 74.54 C ATOM 1562 OG SER A 211 -24.308 -24.337 15.582 1.00 71.88 O ATOM 1563 HG SER A 211 -23.942 -23.536 16.035 1.00 0.00 H ATOM 1564 H SER A 211 -24.261 -23.198 17.982 1.00 0.00 H ATOM 1565 N ARG A 212 -22.825 -25.895 18.281 1.00 77.43 N ATOM 1566 CA ARG A 212 -21.682 -26.830 18.362 1.00 77.20 C ATOM 1567 C ARG A 212 -21.829 -27.767 19.566 1.00 78.31 C ATOM 1568 O ARG A 212 -22.465 -27.418 20.570 1.00 76.61 O ATOM 1569 CB ARG A 212 -20.351 -26.064 18.474 1.00 75.84 C ATOM 1570 CG ARG A 212 -19.960 -25.215 17.257 1.00 76.88 C ATOM 1571 CD ARG A 212 -19.000 -25.922 16.313 1.00 78.33 C ATOM 1572 NE ARG A 212 -17.793 -26.351 17.022 1.00 82.67 N ATOM 1573 CZ ARG A 212 -16.922 -27.261 16.577 1.00 87.58 C ATOM 1574 NH1 ARG A 212 -17.097 -27.862 15.398 1.00 90.30 N ATOM 1575 NH2 ARG A 212 -15.863 -27.582 17.321 1.00 86.85 N ATOM 1576 HE ARG A 212 -17.598 -25.913 17.945 1.00 0.00 H ATOM 1577 HH12 ARG A 212 -16.409 -28.568 15.067 1.00 0.00 H ATOM 1578 HH11 ARG A 212 -17.921 -27.624 14.810 1.00 0.00 H ATOM 1579 HH22 ARG A 212 -15.182 -28.290 16.979 1.00 0.00 H ATOM 1580 HH21 ARG A 212 -15.718 -27.125 18.244 1.00 0.00 H ATOM 1581 H ARG A 212 -22.692 -24.918 18.612 1.00 0.00 H ATOM 1582 N SER A 213 -21.239 -28.959 19.458 1.00 79.37 N ATOM 1583 CA SER A 213 -21.244 -29.928 20.561 1.00 80.27 C ATOM 1584 C SER A 213 -20.304 -29.411 21.659 1.00 77.25 C ATOM 1585 O SER A 213 -20.543 -29.606 22.849 1.00 76.48 O ATOM 1586 CB SER A 213 -20.820 -31.318 20.070 1.00 79.30 C ATOM 1587 H SER A 213 -20.762 -29.209 18.568 1.00 0.00 H ATOM 1588 N LYS A 214 -19.239 -28.735 21.243 1.00 72.88 N ATOM 1589 CA LYS A 214 -18.329 -28.105 22.183 1.00 71.72 C ATOM 1590 C LYS A 214 -18.398 -26.566 22.094 1.00 68.09 C ATOM 1591 O LYS A 214 -17.606 -25.918 21.404 1.00 63.89 O ATOM 1592 CB LYS A 214 -16.903 -28.623 21.968 1.00 72.12 C ATOM 1593 CG LYS A 214 -16.630 -29.955 22.659 1.00 75.70 C ATOM 1594 CD LYS A 214 -15.139 -30.211 22.850 1.00 75.20 C ATOM 1595 CE LYS A 214 -14.880 -31.376 23.804 1.00 76.89 C ATOM 1596 NZ LYS A 214 -13.539 -31.257 24.445 1.00 75.45 N ATOM 1597 HZ1 LYS A 214 -12.803 -31.258 23.710 1.00 0.00 H ATOM 1598 HZ2 LYS A 214 -13.491 -30.368 24.983 1.00 0.00 H ATOM 1599 HZ3 LYS A 214 -13.391 -32.061 25.087 1.00 0.00 H ATOM 1600 H LYS A 214 -19.053 -28.655 20.223 1.00 0.00 H ATOM 1601 N ILE A 215 -19.359 -26.004 22.826 1.00 67.19 N ATOM 1602 CA ILE A 215 -19.572 -24.558 22.902 1.00 63.52 C ATOM 1603 C ILE A 215 -18.263 -23.883 23.305 1.00 60.16 C ATOM 1604 O ILE A 215 -17.871 -22.887 22.714 1.00 57.37 O ATOM 1605 CB ILE A 215 -20.727 -24.206 23.879 1.00 64.80 C ATOM 1606 CG1 ILE A 215 -22.042 -24.859 23.407 1.00 67.82 C ATOM 1607 CG2 ILE A 215 -20.930 -22.702 23.970 1.00 62.21 C ATOM 1608 CD1 ILE A 215 -23.165 -24.841 24.423 1.00 70.49 C ATOM 1609 H ILE A 215 -19.990 -26.625 23.372 1.00 0.00 H ATOM 1610 N PHE A 216 -17.577 -24.449 24.292 1.00 59.63 N ATOM 1611 CA PHE A 216 -16.214 -24.044 24.612 1.00 56.92 C ATOM 1612 C PHE A 216 -15.258 -25.213 24.405 1.00 57.56 C ATOM 1613 O PHE A 216 -15.353 -26.230 25.107 1.00 60.18 O ATOM 1614 CB PHE A 216 -16.127 -23.527 26.052 1.00 57.38 C ATOM 1615 CG PHE A 216 -14.725 -23.292 26.522 1.00 55.17 C ATOM 1616 CD1 PHE A 216 -13.953 -22.285 25.951 1.00 54.63 C ATOM 1617 CD2 PHE A 216 -14.173 -24.068 27.522 1.00 55.65 C ATOM 1618 CE1 PHE A 216 -12.642 -22.065 26.356 1.00 54.19 C ATOM 1619 CE2 PHE A 216 -12.868 -23.857 27.937 1.00 55.72 C ATOM 1620 CZ PHE A 216 -12.101 -22.853 27.359 1.00 55.23 C ATOM 1621 H PHE A 216 -18.025 -25.202 24.852 1.00 0.00 H ATOM 1622 N ASP A 217 -14.342 -25.059 23.447 1.00 56.86 N ATOM 1623 CA ASP A 217 -13.316 -26.064 23.159 1.00 58.57 C ATOM 1624 C ASP A 217 -11.982 -25.598 23.711 1.00 57.36 C ATOM 1625 O ASP A 217 -11.382 -24.683 23.150 1.00 55.57 O ATOM 1626 CB ASP A 217 -13.208 -26.302 21.643 1.00 59.31 C ATOM 1627 CG ASP A 217 -12.465 -27.597 21.288 1.00 61.25 C ATOM 1628 OD1 ASP A 217 -11.459 -27.941 21.938 1.00 62.38 O ATOM 1629 OD2 ASP A 217 -12.888 -28.282 20.336 1.00 62.37 O ATOM 1630 H ASP A 217 -14.357 -24.187 22.880 1.00 0.00 H ATOM 1631 N LYS A 218 -11.518 -26.237 24.796 1.00 60.16 N ATOM 1632 CA LYS A 218 -10.198 -25.935 25.408 1.00 61.60 C ATOM 1633 C LYS A 218 -9.011 -26.085 24.444 1.00 62.13 C ATOM 1634 O LYS A 218 -7.933 -25.532 24.690 1.00 60.80 O ATOM 1635 CB LYS A 218 -9.951 -26.777 26.678 1.00 64.84 C ATOM 1636 CG LYS A 218 -9.454 -28.217 26.480 1.00 67.09 C ATOM 1637 CD LYS A 218 -8.881 -28.805 27.778 1.00 67.02 C ATOM 1638 H LYS A 218 -12.108 -26.976 25.228 1.00 0.00 H ATOM 1639 N ASP A 219 -9.227 -26.815 23.347 1.00 64.21 N ATOM 1640 CA ASP A 219 -8.207 -27.046 22.327 1.00 63.80 C ATOM 1641 C ASP A 219 -8.251 -26.060 21.153 1.00 60.80 C ATOM 1642 O ASP A 219 -7.425 -26.161 20.240 1.00 60.59 O ATOM 1643 CB ASP A 219 -8.326 -28.487 21.807 1.00 65.67 C ATOM 1644 CG ASP A 219 -8.174 -29.518 22.913 1.00 69.47 C ATOM 1645 OD1 ASP A 219 -7.307 -29.302 23.793 1.00 70.03 O ATOM 1646 OD2 ASP A 219 -8.906 -30.542 22.903 1.00 71.14 O ATOM 1647 H ASP A 219 -10.167 -27.240 23.212 1.00 0.00 H ATOM 1648 N SER A 220 -9.197 -25.121 21.166 1.00 58.24 N ATOM 1649 CA SER A 220 -9.279 -24.097 20.112 1.00 55.97 C ATOM 1650 C SER A 220 -8.318 -22.947 20.386 1.00 53.20 C ATOM 1651 O SER A 220 -7.732 -22.888 21.449 1.00 53.74 O ATOM 1652 CB SER A 220 -10.697 -23.559 19.995 1.00 55.46 C ATOM 1653 OG SER A 220 -11.022 -22.743 21.106 1.00 58.18 O ATOM 1654 HG SER A 220 -10.951 -23.276 21.937 1.00 0.00 H ATOM 1655 H SER A 220 -9.893 -25.112 21.939 1.00 0.00 H ATOM 1656 N THR A 221 -8.167 -22.026 19.436 1.00 52.31 N ATOM 1657 CA THR A 221 -7.207 -20.933 19.599 1.00 50.76 C ATOM 1658 C THR A 221 -7.585 -20.107 20.816 1.00 51.29 C ATOM 1659 O THR A 221 -6.723 -19.724 21.620 1.00 51.31 O ATOM 1660 CB THR A 221 -7.130 -19.998 18.378 1.00 49.81 C ATOM 1661 OG1 THR A 221 -7.111 -20.750 17.161 1.00 47.95 O ATOM 1662 CG2 THR A 221 -5.877 -19.137 18.442 1.00 49.90 C ATOM 1663 HG1 THR A 221 -7.061 -20.129 16.392 1.00 0.00 H ATOM 1664 H THR A 221 -8.738 -22.084 18.568 1.00 0.00 H ATOM 1665 N PHE A 222 -8.879 -19.845 20.952 1.00 50.97 N ATOM 1666 CA PHE A 222 -9.384 -19.133 22.128 1.00 51.91 C ATOM 1667 C PHE A 222 -9.145 -19.907 23.443 1.00 51.71 C ATOM 1668 O PHE A 222 -8.483 -19.403 24.357 1.00 51.01 O ATOM 1669 CB PHE A 222 -10.868 -18.776 21.968 1.00 50.90 C ATOM 1670 CG PHE A 222 -11.507 -18.331 23.240 1.00 50.54 C ATOM 1671 CD1 PHE A 222 -11.151 -17.121 23.821 1.00 50.98 C ATOM 1672 CD2 PHE A 222 -12.435 -19.127 23.878 1.00 50.69 C ATOM 1673 CE1 PHE A 222 -11.729 -16.715 25.014 1.00 50.99 C ATOM 1674 CE2 PHE A 222 -13.014 -18.726 25.068 1.00 50.98 C ATOM 1675 CZ PHE A 222 -12.658 -17.525 25.640 1.00 50.63 C ATOM 1676 H PHE A 222 -9.544 -20.150 20.213 1.00 0.00 H ATOM 1677 N GLY A 223 -9.667 -21.127 23.528 1.00 52.47 N ATOM 1678 CA GLY A 223 -9.493 -21.949 24.732 1.00 54.40 C ATOM 1679 C GLY A 223 -8.042 -22.346 25.021 1.00 54.39 C ATOM 1680 O GLY A 223 -7.673 -22.619 26.159 1.00 54.22 O ATOM 1681 H GLY A 223 -10.209 -21.506 22.726 1.00 0.00 H ATOM 1682 N SER A 224 -7.215 -22.365 23.985 1.00 53.96 N ATOM 1683 CA SER A 224 -5.861 -22.882 24.088 1.00 54.63 C ATOM 1684 C SER A 224 -4.842 -21.775 24.348 1.00 55.01 C ATOM 1685 O SER A 224 -3.947 -21.957 25.173 1.00 57.78 O ATOM 1686 CB SER A 224 -5.510 -23.651 22.807 1.00 54.10 C ATOM 1687 OG SER A 224 -4.121 -23.731 22.594 1.00 54.31 O ATOM 1688 HG SER A 224 -3.945 -24.234 21.760 1.00 0.00 H ATOM 1689 H SER A 224 -7.546 -21.998 23.070 1.00 0.00 H ATOM 1690 N VAL A 225 -4.977 -20.645 23.642 1.00 54.63 N ATOM 1691 CA VAL A 225 -4.005 -19.535 23.710 1.00 53.33 C ATOM 1692 C VAL A 225 -4.586 -18.279 24.373 1.00 53.02 C ATOM 1693 O VAL A 225 -3.992 -17.729 25.299 1.00 54.83 O ATOM 1694 CB VAL A 225 -3.455 -19.139 22.307 1.00 52.57 C ATOM 1695 CG1 VAL A 225 -2.231 -18.237 22.444 1.00 52.07 C ATOM 1696 CG2 VAL A 225 -3.083 -20.368 21.480 1.00 51.78 C ATOM 1697 H VAL A 225 -5.803 -20.545 23.018 1.00 0.00 H ATOM 1698 N GLU A 226 -5.741 -17.828 23.907 1.00 51.88 N ATOM 1699 CA GLU A 226 -6.261 -16.521 24.308 1.00 51.54 C ATOM 1700 C GLU A 226 -6.661 -16.455 25.774 1.00 51.02 C ATOM 1701 O GLU A 226 -6.239 -15.564 26.509 1.00 51.10 O ATOM 1702 CB GLU A 226 -7.452 -16.133 23.417 1.00 54.30 C ATOM 1703 CG GLU A 226 -7.061 -15.423 22.116 1.00 55.56 C ATOM 1704 CD GLU A 226 -7.945 -15.784 20.940 1.00 57.11 C ATOM 1705 OE1 GLU A 226 -9.177 -15.912 21.120 1.00 62.51 O ATOM 1706 OE2 GLU A 226 -7.406 -15.944 19.829 1.00 60.42 O ATOM 1707 H GLU A 226 -6.288 -18.414 23.244 1.00 0.00 H ATOM 1708 N VAL A 227 -7.486 -17.396 26.199 1.00 51.11 N ATOM 1709 CA VAL A 227 -7.978 -17.402 27.570 1.00 52.02 C ATOM 1710 C VAL A 227 -6.834 -17.307 28.577 1.00 51.90 C ATOM 1711 O VAL A 227 -6.954 -16.591 29.568 1.00 51.59 O ATOM 1712 CB VAL A 227 -8.851 -18.647 27.831 1.00 54.03 C ATOM 1713 CG1 VAL A 227 -8.045 -19.928 27.696 1.00 55.35 C ATOM 1714 CG2 VAL A 227 -9.515 -18.581 29.195 1.00 56.47 C ATOM 1715 H VAL A 227 -7.789 -18.145 25.544 1.00 0.00 H ATOM 1716 N HIS A 228 -5.722 -17.998 28.290 1.00 52.14 N ATOM 1717 CA HIS A 228 -4.583 -18.118 29.217 1.00 53.71 C ATOM 1718 C HIS A 228 -3.639 -16.924 29.208 1.00 52.77 C ATOM 1719 O HIS A 228 -2.707 -16.858 30.002 1.00 51.43 O ATOM 1720 CB HIS A 228 -3.781 -19.379 28.914 1.00 54.59 C ATOM 1721 CG HIS A 228 -4.551 -20.643 29.123 1.00 57.22 C ATOM 1722 ND1 HIS A 228 -4.975 -21.437 28.074 1.00 57.89 N ATOM 1723 CD2 HIS A 228 -4.983 -21.248 30.258 1.00 58.46 C ATOM 1724 CE1 HIS A 228 -5.626 -22.483 28.557 1.00 60.32 C ATOM 1725 NE2 HIS A 228 -5.641 -22.394 29.879 1.00 61.38 N ATOM 1726 H HIS A 228 -5.660 -18.473 27.367 1.00 0.00 H ATOM 1727 N ASN A 229 -3.889 -15.980 28.315 1.00 51.87 N ATOM 1728 CA ASN A 229 -3.063 -14.797 28.209 1.00 51.28 C ATOM 1729 C ASN A 229 -3.748 -13.475 28.581 1.00 51.86 C ATOM 1730 O ASN A 229 -3.119 -12.421 28.564 1.00 51.87 O ATOM 1731 CB ASN A 229 -2.478 -14.763 26.818 1.00 50.26 C ATOM 1732 CG ASN A 229 -1.338 -15.746 26.674 1.00 51.35 C ATOM 1733 OD1 ASN A 229 -0.300 -15.599 27.326 1.00 54.48 O ATOM 1734 ND2 ASN A 229 -1.520 -16.752 25.840 1.00 50.44 N ATOM 1735 HD22 ASN A 229 -2.412 -16.835 25.312 1.00 0.00 H ATOM 1736 HD21 ASN A 229 -0.771 -17.462 25.711 1.00 0.00 H ATOM 1737 H ASN A 229 -4.700 -16.091 27.673 1.00 0.00 H ATOM 1738 N LEU A 230 -5.015 -13.546 28.979 1.00 52.39 N ATOM 1739 CA LEU A 230 -5.711 -12.398 29.545 1.00 51.40 C ATOM 1740 C LEU A 230 -5.047 -12.013 30.874 1.00 52.60 C ATOM 1741 O LEU A 230 -4.814 -12.866 31.717 1.00 52.60 O ATOM 1742 CB LEU A 230 -7.191 -12.736 29.749 1.00 51.88 C ATOM 1743 CG LEU A 230 -8.006 -13.122 28.494 1.00 51.35 C ATOM 1744 CD1 LEU A 230 -9.407 -13.605 28.843 1.00 51.77 C ATOM 1745 CD2 LEU A 230 -8.105 -11.963 27.518 1.00 50.35 C ATOM 1746 H LEU A 230 -5.524 -14.448 28.883 1.00 0.00 H ATOM 1747 N GLN A 231 -4.723 -10.736 31.047 1.00 53.46 N ATOM 1748 CA GLN A 231 -4.009 -10.274 32.238 1.00 54.88 C ATOM 1749 C GLN A 231 -4.962 -9.748 33.327 1.00 53.62 C ATOM 1750 O GLN A 231 -5.703 -8.793 33.102 1.00 53.00 O ATOM 1751 CB GLN A 231 -2.990 -9.194 31.856 1.00 58.54 C ATOM 1752 CG GLN A 231 -1.909 -9.653 30.875 1.00 60.66 C ATOM 1753 CD GLN A 231 -1.145 -10.890 31.371 1.00 65.08 C ATOM 1754 OE1 GLN A 231 -0.825 -10.998 32.572 1.00 67.07 O ATOM 1755 NE2 GLN A 231 -0.861 -11.837 30.453 1.00 63.52 N ATOM 1756 HE22 GLN A 231 -1.148 -11.703 29.462 1.00 0.00 H ATOM 1757 HE21 GLN A 231 -0.355 -12.701 30.736 1.00 0.00 H ATOM 1758 H GLN A 231 -4.984 -10.045 30.315 1.00 0.00 H ATOM 1759 N PRO A 232 -4.934 -10.363 34.518 1.00 53.08 N ATOM 1760 CA PRO A 232 -5.812 -9.986 35.637 1.00 53.31 C ATOM 1761 C PRO A 232 -5.639 -8.533 36.087 1.00 53.61 C ATOM 1762 O PRO A 232 -6.524 -7.959 36.722 1.00 52.58 O ATOM 1763 CB PRO A 232 -5.384 -10.944 36.759 1.00 54.49 C ATOM 1764 CG PRO A 232 -4.680 -12.059 36.072 1.00 54.34 C ATOM 1765 CD PRO A 232 -4.035 -11.474 34.871 1.00 53.39 C ATOM 1766 N GLU A 233 -4.479 -7.974 35.772 1.00 54.66 N ATOM 1767 CA GLU A 233 -4.147 -6.585 36.055 1.00 56.61 C ATOM 1768 C GLU A 233 -5.059 -5.617 35.310 1.00 55.48 C ATOM 1769 O GLU A 233 -5.462 -4.594 35.863 1.00 56.65 O ATOM 1770 CB GLU A 233 -2.695 -6.297 35.640 1.00 58.45 C ATOM 1771 CG GLU A 233 -1.623 -6.976 36.488 1.00 61.77 C ATOM 1772 CD GLU A 233 -1.319 -8.433 36.116 1.00 62.72 C ATOM 1773 OE1 GLU A 233 -1.745 -8.897 35.015 1.00 58.75 O ATOM 1774 OE2 GLU A 233 -0.639 -9.106 36.957 1.00 65.66 O ATOM 1775 H GLU A 233 -3.765 -8.561 35.295 1.00 0.00 H ATOM 1776 N LYS A 234 -5.366 -5.949 34.056 1.00 53.95 N ATOM 1777 CA LYS A 234 -6.138 -5.087 33.157 1.00 53.43 C ATOM 1778 C LYS A 234 -7.535 -5.614 32.839 1.00 51.49 C ATOM 1779 O LYS A 234 -8.429 -4.852 32.502 1.00 51.42 O ATOM 1780 CB LYS A 234 -5.390 -4.915 31.833 1.00 53.55 C ATOM 1781 CG LYS A 234 -3.893 -4.726 31.976 1.00 54.87 C ATOM 1782 CD LYS A 234 -3.293 -4.160 30.698 1.00 53.63 C ATOM 1783 CE LYS A 234 -3.210 -5.198 29.612 1.00 51.12 C ATOM 1784 NZ LYS A 234 -2.653 -4.559 28.392 1.00 51.31 N ATOM 1785 HZ1 LYS A 234 -3.276 -3.781 28.094 1.00 0.00 H ATOM 1786 HZ2 LYS A 234 -1.705 -4.185 28.600 1.00 0.00 H ATOM 1787 HZ3 LYS A 234 -2.589 -5.265 27.631 1.00 0.00 H ATOM 1788 H LYS A 234 -5.040 -6.869 33.697 1.00 0.00 H ATOM 1789 N VAL A 235 -7.724 -6.919 32.897 1.00 50.87 N ATOM 1790 CA VAL A 235 -9.016 -7.484 32.537 1.00 51.16 C ATOM 1791 C VAL A 235 -9.816 -7.767 33.798 1.00 51.63 C ATOM 1792 O VAL A 235 -9.358 -8.504 34.673 1.00 52.10 O ATOM 1793 CB VAL A 235 -8.847 -8.773 31.706 1.00 50.90 C ATOM 1794 CG1 VAL A 235 -10.199 -9.299 31.247 1.00 50.18 C ATOM 1795 CG2 VAL A 235 -7.938 -8.512 30.497 1.00 50.64 C ATOM 1796 H VAL A 235 -6.950 -7.544 33.200 1.00 0.00 H ATOM 1797 N GLN A 236 -11.002 -7.175 33.900 1.00 50.99 N ATOM 1798 CA GLN A 236 -11.874 -7.461 35.022 1.00 51.70 C ATOM 1799 C GLN A 236 -12.766 -8.648 34.730 1.00 50.81 C ATOM 1800 O GLN A 236 -12.913 -9.515 35.580 1.00 51.37 O ATOM 1801 CB GLN A 236 -12.743 -6.265 35.354 1.00 53.47 C ATOM 1802 CG GLN A 236 -13.618 -6.487 36.580 1.00 55.70 C ATOM 1803 CD GLN A 236 -14.531 -5.312 36.849 1.00 57.90 C ATOM 1804 OE1 GLN A 236 -15.091 -4.716 35.926 1.00 56.88 O ATOM 1805 NE2 GLN A 236 -14.693 -4.972 38.126 1.00 61.24 N ATOM 1806 HE22 GLN A 236 -14.200 -5.503 38.872 1.00 0.00 H ATOM 1807 HE21 GLN A 236 -15.312 -4.175 38.377 1.00 0.00 H ATOM 1808 H GLN A 236 -11.307 -6.501 33.169 1.00 0.00 H ATOM 1809 N THR A 237 -13.363 -8.675 33.538 1.00 49.69 N ATOM 1810 CA THR A 237 -14.387 -9.664 33.193 1.00 50.44 C ATOM 1811 C THR A 237 -14.218 -10.232 31.792 1.00 50.04 C ATOM 1812 O THR A 237 -13.995 -9.491 30.842 1.00 49.93 O ATOM 1813 CB THR A 237 -15.797 -9.037 33.242 1.00 51.53 C ATOM 1814 OG1 THR A 237 -15.993 -8.408 34.516 1.00 54.65 O ATOM 1815 CG2 THR A 237 -16.893 -10.088 33.022 1.00 51.83 C ATOM 1816 HG1 THR A 237 -16.897 -8.006 34.548 1.00 0.00 H ATOM 1817 H THR A 237 -13.091 -7.967 32.826 1.00 0.00 H ATOM 1818 N LEU A 238 -14.339 -11.551 31.661 1.00 50.64 N ATOM 1819 CA LEU A 238 -14.600 -12.151 30.362 1.00 49.62 C ATOM 1820 C LEU A 238 -16.089 -12.402 30.265 1.00 50.01 C ATOM 1821 O LEU A 238 -16.624 -13.252 30.962 1.00 51.21 O ATOM 1822 CB LEU A 238 -13.854 -13.463 30.180 1.00 49.40 C ATOM 1823 CG LEU A 238 -14.137 -14.072 28.802 1.00 49.18 C ATOM 1824 CD1 LEU A 238 -13.364 -13.349 27.715 1.00 47.74 C ATOM 1825 CD2 LEU A 238 -13.788 -15.543 28.775 1.00 49.89 C ATOM 1826 H LEU A 238 -14.246 -12.161 32.498 1.00 0.00 H ATOM 1827 N GLU A 239 -16.759 -11.638 29.419 1.00 49.88 N ATOM 1828 CA GLU A 239 -18.187 -11.823 29.188 1.00 51.54 C ATOM 1829 C GLU A 239 -18.404 -12.704 27.947 1.00 50.60 C ATOM 1830 O GLU A 239 -18.076 -12.319 26.818 1.00 47.71 O ATOM 1831 CB GLU A 239 -18.896 -10.464 29.042 1.00 52.74 C ATOM 1832 CG GLU A 239 -20.369 -10.560 28.663 1.00 54.74 C ATOM 1833 CD GLU A 239 -21.166 -9.330 29.052 1.00 56.50 C ATOM 1834 OE1 GLU A 239 -21.440 -9.164 30.259 1.00 57.28 O ATOM 1835 OE2 GLU A 239 -21.538 -8.543 28.155 1.00 57.30 O ATOM 1836 H GLU A 239 -16.255 -10.887 28.906 1.00 0.00 H ATOM 1837 N ALA A 240 -18.953 -13.892 28.178 1.00 51.60 N ATOM 1838 CA ALA A 240 -19.282 -14.812 27.102 1.00 51.70 C ATOM 1839 C ALA A 240 -20.686 -14.538 26.555 1.00 52.78 C ATOM 1840 O ALA A 240 -21.624 -14.269 27.307 1.00 53.61 O ATOM 1841 CB ALA A 240 -19.170 -16.253 27.576 1.00 52.20 C ATOM 1842 H ALA A 240 -19.153 -14.172 29.159 1.00 0.00 H ATOM 1843 N TRP A 241 -20.789 -14.601 25.233 1.00 52.55 N ATOM 1844 CA TRP A 241 -22.042 -14.552 24.525 1.00 54.67 C ATOM 1845 C TRP A 241 -22.238 -15.880 23.816 1.00 55.67 C ATOM 1846 O TRP A 241 -21.406 -16.304 23.007 1.00 54.14 O ATOM 1847 CB TRP A 241 -22.039 -13.430 23.481 1.00 54.34 C ATOM 1848 CG TRP A 241 -21.970 -12.035 24.039 1.00 53.90 C ATOM 1849 CD1 TRP A 241 -22.304 -11.630 25.300 1.00 54.35 C ATOM 1850 CD2 TRP A 241 -21.567 -10.857 23.332 1.00 52.55 C ATOM 1851 NE1 TRP A 241 -22.118 -10.278 25.423 1.00 54.30 N ATOM 1852 CE2 TRP A 241 -21.667 -9.778 24.229 1.00 53.50 C ATOM 1853 CE3 TRP A 241 -21.121 -10.612 22.029 1.00 51.62 C ATOM 1854 CZ2 TRP A 241 -21.344 -8.466 23.860 1.00 53.15 C ATOM 1855 CZ3 TRP A 241 -20.793 -9.317 21.665 1.00 51.13 C ATOM 1856 CH2 TRP A 241 -20.913 -8.258 22.574 1.00 52.08 C ATOM 1857 HE1 TRP A 241 -22.291 -9.721 26.284 1.00 0.00 H ATOM 1858 H TRP A 241 -19.915 -14.691 24.677 1.00 0.00 H ATOM 1859 N VAL A 242 -23.342 -16.535 24.124 1.00 58.96 N ATOM 1860 CA VAL A 242 -23.699 -17.763 23.441 1.00 61.46 C ATOM 1861 C VAL A 242 -24.811 -17.472 22.419 1.00 63.28 C ATOM 1862 O VAL A 242 -25.908 -17.008 22.760 1.00 63.92 O ATOM 1863 CB VAL A 242 -24.099 -18.877 24.440 1.00 63.40 C ATOM 1864 CG1 VAL A 242 -24.303 -20.199 23.710 1.00 65.01 C ATOM 1865 CG2 VAL A 242 -23.022 -19.042 25.510 1.00 61.99 C ATOM 1866 H VAL A 242 -23.966 -16.164 24.869 1.00 0.00 H ATOM 1867 N ILE A 243 -24.501 -17.767 21.160 1.00 63.80 N ATOM 1868 CA ILE A 243 -25.397 -17.496 20.048 1.00 65.44 C ATOM 1869 C ILE A 243 -26.158 -18.756 19.636 1.00 67.17 C ATOM 1870 O ILE A 243 -25.552 -19.743 19.227 1.00 64.83 O ATOM 1871 CB ILE A 243 -24.625 -16.965 18.821 1.00 64.03 C ATOM 1872 CG1 ILE A 243 -23.502 -16.003 19.237 1.00 62.26 C ATOM 1873 CG2 ILE A 243 -25.592 -16.280 17.858 1.00 66.25 C ATOM 1874 CD1 ILE A 243 -23.968 -14.669 19.801 1.00 62.70 C ATOM 1875 H ILE A 243 -23.581 -18.209 20.963 1.00 0.00 H ATOM 1876 N HIS A 244 -27.486 -18.688 19.723 1.00 71.45 N ATOM 1877 CA HIS A 244 -28.379 -19.792 19.356 1.00 75.47 C ATOM 1878 C HIS A 244 -28.623 -19.854 17.836 1.00 77.56 C ATOM 1879 O HIS A 244 -29.512 -19.182 17.301 1.00 80.36 O ATOM 1880 CB HIS A 244 -29.718 -19.654 20.091 1.00 78.62 C ATOM 1881 CG HIS A 244 -29.587 -19.605 21.580 1.00 79.21 C ATOM 1882 ND1 HIS A 244 -29.883 -20.678 22.392 1.00 81.05 N ATOM 1883 CD2 HIS A 244 -29.184 -18.612 22.405 1.00 78.94 C ATOM 1884 CE1 HIS A 244 -29.674 -20.345 23.653 1.00 80.86 C ATOM 1885 NE2 HIS A 244 -29.250 -19.098 23.688 1.00 79.80 N ATOM 1886 H HIS A 244 -27.912 -17.805 20.070 1.00 0.00 H ATOM 1887 N GLY A 245 -27.831 -20.674 17.150 1.00 77.61 N ATOM 1888 CA GLY A 245 -27.992 -20.901 15.713 1.00 78.05 C ATOM 1889 C GLY A 245 -29.114 -21.882 15.408 1.00 79.37 C ATOM 1890 O GLY A 245 -30.286 -21.545 15.523 1.00 80.17 O ATOM 1891 H GLY A 245 -27.069 -21.172 17.653 1.00 0.00 H TER 1892 GLY A 245 ATOM 1893 N SER A 250 -34.075 -23.106 22.181 1.00 99.43 N ATOM 1894 CA SER A 250 -34.721 -22.040 22.960 1.00101.93 C ATOM 1895 C SER A 250 -34.366 -22.007 24.460 1.00102.56 C ATOM 1896 O SER A 250 -34.819 -21.111 25.191 1.00103.59 O ATOM 1897 CB SER A 250 -36.239 -22.152 22.798 1.00105.99 C ATOM 1898 OG SER A 250 -36.621 -22.018 21.436 1.00106.33 O ATOM 1899 HG SER A 250 -37.605 -22.094 21.361 1.00 0.00 H ATOM 1900 HN3 SER A 250 -34.349 -24.031 22.569 1.00 0.00 H ATOM 1901 HN2 SER A 250 -33.042 -22.997 22.237 1.00 0.00 H ATOM 1902 HN1 SER A 250 -34.379 -23.041 21.188 1.00 0.00 H ATOM 1903 N ARG A 251 -33.543 -22.966 24.894 1.00101.05 N ATOM 1904 CA ARG A 251 -33.175 -23.167 26.305 1.00100.00 C ATOM 1905 C ARG A 251 -31.843 -22.495 26.682 1.00 94.92 C ATOM 1906 O ARG A 251 -31.016 -22.212 25.823 1.00 91.28 O ATOM 1907 CB ARG A 251 -33.088 -24.667 26.605 1.00101.74 C ATOM 1908 CG ARG A 251 -32.130 -25.417 25.692 1.00100.46 C ATOM 1909 CD ARG A 251 -32.247 -26.925 25.813 1.00103.44 C ATOM 1910 NE ARG A 251 -31.343 -27.559 24.853 1.00103.44 N ATOM 1911 CZ ARG A 251 -30.024 -27.697 25.020 1.00100.85 C ATOM 1912 NH1 ARG A 251 -29.423 -27.270 26.132 1.00 98.55 N ATOM 1913 NH2 ARG A 251 -29.296 -28.274 24.068 1.00 99.52 N ATOM 1914 HE ARG A 251 -31.758 -27.930 23.975 1.00 0.00 H ATOM 1915 HH12 ARG A 251 -28.396 -27.386 26.245 1.00 0.00 H ATOM 1916 HH11 ARG A 251 -29.982 -26.822 26.886 1.00 0.00 H ATOM 1917 HH22 ARG A 251 -28.269 -28.384 24.193 1.00 0.00 H ATOM 1918 HH21 ARG A 251 -29.753 -28.615 23.199 1.00 0.00 H ATOM 1919 H ARG A 251 -33.136 -23.613 24.189 1.00 0.00 H ATOM 1920 N ASP A 252 -31.640 -22.277 27.982 1.00 93.04 N ATOM 1921 CA ASP A 252 -30.461 -21.559 28.500 1.00 88.09 C ATOM 1922 C ASP A 252 -29.143 -22.341 28.315 1.00 84.72 C ATOM 1923 O ASP A 252 -28.864 -23.297 29.036 1.00 84.29 O ATOM 1924 CB ASP A 252 -30.679 -21.196 29.983 1.00 87.70 C ATOM 1925 CG ASP A 252 -29.441 -20.586 30.645 1.00 84.91 C ATOM 1926 OD1 ASP A 252 -28.655 -19.890 29.963 1.00 83.57 O ATOM 1927 OD2 ASP A 252 -29.262 -20.793 31.865 1.00 84.10 O ATOM 1928 H ASP A 252 -32.345 -22.629 28.661 1.00 0.00 H ATOM 1929 N LEU A 253 -28.321 -21.899 27.369 1.00 81.44 N ATOM 1930 CA LEU A 253 -27.061 -22.579 27.070 1.00 79.39 C ATOM 1931 C LEU A 253 -25.871 -22.116 27.919 1.00 76.54 C ATOM 1932 O LEU A 253 -24.771 -22.655 27.784 1.00 73.09 O ATOM 1933 CB LEU A 253 -26.733 -22.435 25.584 1.00 78.76 C ATOM 1934 CG LEU A 253 -27.646 -23.220 24.638 1.00 82.61 C ATOM 1935 CD1 LEU A 253 -27.402 -22.822 23.192 1.00 82.07 C ATOM 1936 CD2 LEU A 253 -27.436 -24.720 24.799 1.00 84.75 C ATOM 1937 H LEU A 253 -28.580 -21.049 26.828 1.00 0.00 H ATOM 1938 N CYS A 254 -26.090 -21.136 28.796 1.00 76.07 N ATOM 1939 CA CYS A 254 -25.050 -20.705 29.727 1.00 73.37 C ATOM 1940 C CYS A 254 -24.827 -21.756 30.805 1.00 73.41 C ATOM 1941 O CYS A 254 -23.740 -21.827 31.377 1.00 70.25 O ATOM 1942 CB CYS A 254 -25.395 -19.355 30.372 1.00 73.83 C ATOM 1943 SG CYS A 254 -25.018 -17.912 29.349 1.00 72.56 S ATOM 1944 H CYS A 254 -27.019 -20.669 28.818 1.00 0.00 H ATOM 1945 N GLN A 255 -25.853 -22.571 31.068 1.00 76.38 N ATOM 1946 CA GLN A 255 -25.753 -23.692 32.017 1.00 78.59 C ATOM 1947 C GLN A 255 -24.753 -24.764 31.597 1.00 76.86 C ATOM 1948 O GLN A 255 -24.286 -25.534 32.431 1.00 76.52 O ATOM 1949 CB GLN A 255 -27.096 -24.386 32.156 1.00 82.97 C ATOM 1950 CG GLN A 255 -28.108 -23.675 33.029 1.00 85.94 C ATOM 1951 CD GLN A 255 -29.360 -24.528 33.262 1.00 91.37 C ATOM 1952 OE1 GLN A 255 -29.299 -25.774 33.239 1.00 92.63 O ATOM 1953 NE2 GLN A 255 -30.503 -23.865 33.488 1.00 93.16 N ATOM 1954 HE22 GLN A 255 -30.508 -22.825 33.498 1.00 0.00 H ATOM 1955 HE21 GLN A 255 -31.385 -24.391 33.653 1.00 0.00 H ATOM 1956 H GLN A 255 -26.758 -22.407 30.583 1.00 0.00 H ATOM 1957 N ASP A 256 -24.460 -24.814 30.299 1.00 75.36 N ATOM 1958 CA ASP A 256 -23.665 -25.874 29.694 1.00 75.99 C ATOM 1959 C ASP A 256 -22.390 -26.215 30.472 1.00 76.02 C ATOM 1960 O ASP A 256 -21.743 -25.329 31.032 1.00 75.61 O ATOM 1961 CB ASP A 256 -23.304 -25.516 28.240 1.00 74.32 C ATOM 1962 CG ASP A 256 -22.729 -26.706 27.461 1.00 74.58 C ATOM 1963 OD1 ASP A 256 -23.472 -27.276 26.639 1.00 75.18 O ATOM 1964 OD2 ASP A 256 -21.549 -27.082 27.668 1.00 72.24 O ATOM 1965 H ASP A 256 -24.818 -24.055 29.684 1.00 0.00 H ATOM 1966 N PRO A 257 -22.045 -27.515 30.519 1.00 78.27 N ATOM 1967 CA PRO A 257 -20.812 -28.008 31.108 1.00 78.20 C ATOM 1968 C PRO A 257 -19.540 -27.314 30.623 1.00 75.20 C ATOM 1969 O PRO A 257 -18.687 -26.978 31.438 1.00 77.59 O ATOM 1970 CB PRO A 257 -20.809 -29.481 30.685 1.00 79.66 C ATOM 1971 CG PRO A 257 -22.250 -29.854 30.692 1.00 81.51 C ATOM 1972 CD PRO A 257 -22.989 -28.622 30.252 1.00 80.77 C ATOM 1973 N THR A 258 -19.401 -27.105 29.321 1.00 72.62 N ATOM 1974 CA THR A 258 -18.165 -26.519 28.794 1.00 69.81 C ATOM 1975 C THR A 258 -18.054 -25.031 29.099 1.00 67.49 C ATOM 1976 O THR A 258 -16.949 -24.507 29.226 1.00 66.93 O ATOM 1977 CB THR A 258 -18.006 -26.745 27.281 1.00 68.41 C ATOM 1978 OG1 THR A 258 -19.277 -26.608 26.636 1.00 68.27 O ATOM 1979 CG2 THR A 258 -17.446 -28.129 27.015 1.00 70.06 C ATOM 1980 HG1 THR A 258 -19.906 -27.278 27.004 1.00 0.00 H ATOM 1981 H THR A 258 -20.172 -27.358 28.671 1.00 0.00 H ATOM 1982 N ILE A 259 -19.196 -24.357 29.212 1.00 67.88 N ATOM 1983 CA ILE A 259 -19.236 -22.973 29.699 1.00 66.36 C ATOM 1984 C ILE A 259 -18.782 -22.962 31.155 1.00 67.32 C ATOM 1985 O ILE A 259 -17.907 -22.178 31.539 1.00 65.51 O ATOM 1986 CB ILE A 259 -20.654 -22.361 29.574 1.00 66.15 C ATOM 1987 CG1 ILE A 259 -21.018 -22.170 28.100 1.00 65.21 C ATOM 1988 CG2 ILE A 259 -20.774 -21.040 30.328 1.00 64.97 C ATOM 1989 CD1 ILE A 259 -20.260 -21.068 27.398 1.00 62.46 C ATOM 1990 H ILE A 259 -20.086 -24.825 28.947 1.00 0.00 H ATOM 1991 N LYS A 260 -19.364 -23.855 31.954 1.00 69.34 N ATOM 1992 CA LYS A 260 -18.965 -23.998 33.348 1.00 69.70 C ATOM 1993 C LYS A 260 -17.463 -24.303 33.463 1.00 67.83 C ATOM 1994 O LYS A 260 -16.815 -23.919 34.435 1.00 68.92 O ATOM 1995 CB LYS A 260 -19.831 -25.052 34.048 1.00 72.12 C ATOM 1996 CG LYS A 260 -21.256 -24.564 34.324 1.00 74.40 C ATOM 1997 CD LYS A 260 -22.016 -25.488 35.278 1.00 77.88 C ATOM 1998 H LYS A 260 -20.118 -24.462 31.575 1.00 0.00 H ATOM 1999 N GLU A 261 -16.910 -24.961 32.452 1.00 65.94 N ATOM 2000 CA GLU A 261 -15.489 -25.273 32.429 1.00 66.02 C ATOM 2001 C GLU A 261 -14.689 -24.025 32.101 1.00 62.94 C ATOM 2002 O GLU A 261 -13.570 -23.839 32.584 1.00 62.28 O ATOM 2003 CB GLU A 261 -15.210 -26.385 31.412 1.00 67.73 C ATOM 2004 CG GLU A 261 -13.740 -26.616 31.065 1.00 67.28 C ATOM 2005 CD GLU A 261 -13.568 -27.361 29.755 1.00 68.49 C ATOM 2006 OE1 GLU A 261 -14.597 -27.756 29.150 1.00 70.27 O ATOM 2007 OE2 GLU A 261 -12.404 -27.557 29.324 1.00 69.92 O ATOM 2008 H GLU A 261 -17.508 -25.261 31.656 1.00 0.00 H ATOM 2009 N LEU A 262 -15.261 -23.182 31.257 1.00 61.39 N ATOM 2010 CA LEU A 262 -14.658 -21.897 30.933 1.00 59.25 C ATOM 2011 C LEU A 262 -14.586 -21.026 32.173 1.00 58.63 C ATOM 2012 O LEU A 262 -13.574 -20.386 32.435 1.00 56.44 O ATOM 2013 CB LEU A 262 -15.473 -21.206 29.844 1.00 58.40 C ATOM 2014 CG LEU A 262 -15.055 -19.806 29.421 1.00 57.28 C ATOM 2015 CD1 LEU A 262 -13.639 -19.760 28.872 1.00 56.29 C ATOM 2016 CD2 LEU A 262 -16.031 -19.318 28.371 1.00 58.19 C ATOM 2017 H LEU A 262 -16.165 -23.444 30.814 1.00 0.00 H ATOM 2018 N GLU A 263 -15.673 -21.036 32.934 1.00 60.65 N ATOM 2019 CA GLU A 263 -15.773 -20.301 34.192 1.00 62.47 C ATOM 2020 C GLU A 263 -14.669 -20.701 35.168 1.00 62.51 C ATOM 2021 O GLU A 263 -14.211 -19.880 35.954 1.00 63.59 O ATOM 2022 CB GLU A 263 -17.156 -20.528 34.826 1.00 64.13 C ATOM 2023 CG GLU A 263 -17.405 -19.784 36.128 1.00 65.68 C ATOM 2024 CD GLU A 263 -18.873 -19.768 36.525 1.00 69.33 C ATOM 2025 OE1 GLU A 263 -19.680 -20.386 35.805 1.00 73.34 O ATOM 2026 OE2 GLU A 263 -19.236 -19.143 37.553 1.00 70.01 O ATOM 2027 H GLU A 263 -16.493 -21.594 32.620 1.00 0.00 H ATOM 2028 N SER A 264 -14.243 -21.954 35.116 1.00 62.21 N ATOM 2029 CA SER A 264 -13.206 -22.433 36.014 1.00 63.09 C ATOM 2030 C SER A 264 -11.843 -21.886 35.606 1.00 62.21 C ATOM 2031 O SER A 264 -11.086 -21.413 36.446 1.00 63.84 O ATOM 2032 CB SER A 264 -13.174 -23.958 36.042 1.00 63.69 C ATOM 2033 OG SER A 264 -12.131 -24.407 36.884 1.00 64.13 O ATOM 2034 HG SER A 264 -12.120 -25.397 36.894 1.00 0.00 H ATOM 2035 H SER A 264 -14.658 -22.606 34.420 1.00 0.00 H ATOM 2036 N ILE A 265 -11.541 -21.939 34.315 1.00 61.79 N ATOM 2037 CA ILE A 265 -10.233 -21.494 33.820 1.00 62.56 C ATOM 2038 C ILE A 265 -10.022 -20.039 34.183 1.00 62.03 C ATOM 2039 O ILE A 265 -8.964 -19.637 34.684 1.00 61.08 O ATOM 2040 CB ILE A 265 -10.116 -21.598 32.277 1.00 62.14 C ATOM 2041 CG1 ILE A 265 -10.336 -23.044 31.820 1.00 61.93 C ATOM 2042 CG2 ILE A 265 -8.753 -21.064 31.811 1.00 61.46 C ATOM 2043 CD1 ILE A 265 -10.163 -23.247 30.331 1.00 61.18 C ATOM 2044 H ILE A 265 -12.245 -22.303 33.641 1.00 0.00 H ATOM 2045 N ILE A 266 -11.061 -19.270 33.881 1.00 61.31 N ATOM 2046 CA ILE A 266 -11.086 -17.848 34.097 1.00 60.41 C ATOM 2047 C ILE A 266 -11.038 -17.538 35.573 1.00 62.03 C ATOM 2048 O ILE A 266 -10.224 -16.730 35.999 1.00 64.12 O ATOM 2049 CB ILE A 266 -12.324 -17.219 33.404 1.00 60.59 C ATOM 2050 CG1 ILE A 266 -12.062 -17.084 31.898 1.00 59.99 C ATOM 2051 CG2 ILE A 266 -12.679 -15.849 33.964 1.00 61.22 C ATOM 2052 CD1 ILE A 266 -10.876 -16.200 31.507 1.00 58.71 C ATOM 2053 H ILE A 266 -11.902 -19.720 33.466 1.00 0.00 H ATOM 2054 N SER A 267 -11.882 -18.183 36.362 1.00 64.15 N ATOM 2055 CA SER A 267 -11.876 -17.946 37.810 1.00 66.52 C ATOM 2056 C SER A 267 -10.501 -18.127 38.432 1.00 67.04 C ATOM 2057 O SER A 267 -10.146 -17.390 39.340 1.00 69.24 O ATOM 2058 CB SER A 267 -12.875 -18.854 38.513 1.00 67.02 C ATOM 2059 OG SER A 267 -14.181 -18.504 38.108 1.00 67.31 O ATOM 2060 HG SER A 267 -14.262 -18.615 37.128 1.00 0.00 H ATOM 2061 H SER A 267 -12.554 -18.863 35.953 1.00 0.00 H ATOM 2062 N LYS A 268 -9.730 -19.090 37.929 1.00 66.38 N ATOM 2063 CA LYS A 268 -8.391 -19.373 38.464 1.00 68.40 C ATOM 2064 C LYS A 268 -7.314 -18.356 38.048 1.00 66.48 C ATOM 2065 O LYS A 268 -6.183 -18.403 38.534 1.00 66.82 O ATOM 2066 CB LYS A 268 -7.958 -20.794 38.076 1.00 70.40 C ATOM 2067 CG LYS A 268 -8.703 -21.884 38.836 1.00 73.53 C ATOM 2068 CD LYS A 268 -8.280 -23.273 38.389 1.00 75.65 C ATOM 2069 CE LYS A 268 -9.050 -24.350 39.137 1.00 79.29 C ATOM 2070 NZ LYS A 268 -8.737 -25.709 38.611 1.00 80.91 N ATOM 2071 HZ1 LYS A 268 -8.995 -25.758 37.605 1.00 0.00 H ATOM 2072 HZ2 LYS A 268 -7.720 -25.895 38.719 1.00 0.00 H ATOM 2073 HZ3 LYS A 268 -9.279 -26.419 39.144 1.00 0.00 H ATOM 2074 H LYS A 268 -10.086 -19.658 37.134 1.00 0.00 H ATOM 2075 N ARG A 269 -7.668 -17.452 37.141 1.00 64.58 N ATOM 2076 CA ARG A 269 -6.830 -16.295 36.797 1.00 62.70 C ATOM 2077 C ARG A 269 -7.290 -15.035 37.551 1.00 60.71 C ATOM 2078 O ARG A 269 -6.895 -13.929 37.217 1.00 59.67 O ATOM 2079 CB ARG A 269 -6.885 -16.044 35.284 1.00 60.48 C ATOM 2080 CG ARG A 269 -6.560 -17.264 34.461 1.00 61.44 C ATOM 2081 CD ARG A 269 -6.688 -17.002 32.967 1.00 61.31 C ATOM 2082 NE ARG A 269 -5.791 -15.958 32.486 1.00 60.84 N ATOM 2083 CZ ARG A 269 -4.467 -16.067 32.424 1.00 62.15 C ATOM 2084 NH1 ARG A 269 -3.752 -15.059 31.958 1.00 62.00 N ATOM 2085 NH2 ARG A 269 -3.846 -17.173 32.820 1.00 64.17 N ATOM 2086 HE ARG A 269 -6.217 -15.064 32.169 1.00 0.00 H ATOM 2087 HH12 ARG A 269 -2.716 -15.136 31.906 1.00 0.00 H ATOM 2088 HH11 ARG A 269 -4.225 -14.188 31.643 1.00 0.00 H ATOM 2089 HH22 ARG A 269 -2.810 -17.236 32.763 1.00 0.00 H ATOM 2090 HH21 ARG A 269 -4.396 -17.975 33.187 1.00 0.00 H ATOM 2091 H ARG A 269 -8.579 -17.568 36.653 1.00 0.00 H ATOM 2092 N ASN A 270 -8.116 -15.222 38.572 1.00 60.89 N ATOM 2093 CA ASN A 270 -8.698 -14.113 39.320 1.00 61.50 C ATOM 2094 C ASN A 270 -9.347 -13.057 38.415 1.00 60.65 C ATOM 2095 O ASN A 270 -9.195 -11.860 38.641 1.00 60.81 O ATOM 2096 CB ASN A 270 -7.649 -13.501 40.259 1.00 61.94 C ATOM 2097 CG ASN A 270 -7.235 -14.458 41.373 1.00 62.80 C ATOM 2098 OD1 ASN A 270 -8.062 -15.178 41.931 1.00 62.36 O ATOM 2099 ND2 ASN A 270 -5.956 -14.463 41.701 1.00 62.77 N ATOM 2100 HD22 ASN A 270 -5.289 -13.838 41.204 1.00 0.00 H ATOM 2101 HD21 ASN A 270 -5.615 -15.092 42.456 1.00 0.00 H ATOM 2102 H ASN A 270 -8.358 -16.195 38.849 1.00 0.00 H ATOM 2103 N ILE A 271 -10.061 -13.529 37.396 1.00 59.53 N ATOM 2104 CA ILE A 271 -10.863 -12.696 36.512 1.00 58.16 C ATOM 2105 C ILE A 271 -12.306 -13.178 36.640 1.00 58.71 C ATOM 2106 O ILE A 271 -12.549 -14.381 36.657 1.00 58.71 O ATOM 2107 CB ILE A 271 -10.390 -12.825 35.051 1.00 56.94 C ATOM 2108 CG1 ILE A 271 -8.990 -12.230 34.914 1.00 57.37 C ATOM 2109 CG2 ILE A 271 -11.335 -12.111 34.087 1.00 56.00 C ATOM 2110 CD1 ILE A 271 -8.317 -12.515 33.587 1.00 56.12 C ATOM 2111 H ILE A 271 -10.045 -14.554 37.221 1.00 0.00 H ATOM 2112 N GLN A 272 -13.252 -12.244 36.749 1.00 59.19 N ATOM 2113 CA GLN A 272 -14.673 -12.586 36.877 1.00 61.42 C ATOM 2114 C GLN A 272 -15.249 -13.086 35.557 1.00 58.84 C ATOM 2115 O GLN A 272 -14.793 -12.695 34.490 1.00 58.29 O ATOM 2116 CB GLN A 272 -15.472 -11.384 37.387 1.00 64.16 C ATOM 2117 CG GLN A 272 -15.248 -11.130 38.867 1.00 69.04 C ATOM 2118 CD GLN A 272 -15.874 -9.833 39.359 1.00 73.94 C ATOM 2119 OE1 GLN A 272 -15.972 -8.850 38.613 1.00 73.00 O ATOM 2120 NE2 GLN A 272 -16.293 -9.819 40.637 1.00 78.02 N ATOM 2121 HE22 GLN A 272 -16.190 -10.669 41.227 1.00 0.00 H ATOM 2122 HE21 GLN A 272 -16.720 -8.958 41.035 1.00 0.00 H ATOM 2123 H GLN A 272 -12.974 -11.242 36.743 1.00 0.00 H ATOM 2124 N PHE A 273 -16.246 -13.958 35.627 1.00 57.59 N ATOM 2125 CA PHE A 273 -16.841 -14.521 34.419 1.00 56.10 C ATOM 2126 C PHE A 273 -18.303 -14.130 34.271 1.00 56.62 C ATOM 2127 O PHE A 273 -19.004 -13.938 35.243 1.00 59.46 O ATOM 2128 CB PHE A 273 -16.717 -16.043 34.429 1.00 56.75 C ATOM 2129 CG PHE A 273 -17.260 -16.696 33.196 1.00 55.80 C ATOM 2130 CD1 PHE A 273 -16.548 -16.646 32.008 1.00 53.95 C ATOM 2131 CD2 PHE A 273 -18.482 -17.336 33.221 1.00 56.52 C ATOM 2132 CE1 PHE A 273 -17.047 -17.221 30.867 1.00 53.66 C ATOM 2133 CE2 PHE A 273 -18.984 -17.921 32.087 1.00 56.66 C ATOM 2134 CZ PHE A 273 -18.267 -17.861 30.905 1.00 55.39 C ATOM 2135 H PHE A 273 -16.610 -14.245 36.558 1.00 0.00 H ATOM 2136 N SER A 274 -18.762 -14.022 33.040 1.00 55.43 N ATOM 2137 CA SER A 274 -20.135 -13.639 32.774 1.00 56.53 C ATOM 2138 C SER A 274 -20.612 -14.332 31.498 1.00 57.21 C ATOM 2139 O SER A 274 -19.851 -14.500 30.550 1.00 55.69 O ATOM 2140 CB SER A 274 -20.228 -12.115 32.647 1.00 55.75 C ATOM 2141 OG SER A 274 -21.373 -11.712 31.919 1.00 56.23 O ATOM 2142 HG SER A 274 -21.395 -10.724 31.861 1.00 0.00 H ATOM 2143 H SER A 274 -18.125 -14.216 32.241 1.00 0.00 H ATOM 2144 N CYS A 275 -21.870 -14.747 31.480 1.00 59.52 N ATOM 2145 CA CYS A 275 -22.412 -15.433 30.321 1.00 61.42 C ATOM 2146 C CYS A 275 -23.826 -14.956 30.009 1.00 63.16 C ATOM 2147 O CYS A 275 -24.681 -14.910 30.886 1.00 63.91 O ATOM 2148 CB CYS A 275 -22.399 -16.939 30.560 1.00 63.65 C ATOM 2149 SG CYS A 275 -22.972 -17.919 29.158 1.00 65.65 S ATOM 2150 H CYS A 275 -22.477 -14.579 32.307 1.00 0.00 H ATOM 2151 N LYS A 276 -24.057 -14.609 28.745 1.00 63.49 N ATOM 2152 CA LYS A 276 -25.353 -14.131 28.279 1.00 65.13 C ATOM 2153 C LYS A 276 -25.797 -14.916 27.061 1.00 65.55 C ATOM 2154 O LYS A 276 -25.035 -15.095 26.121 1.00 64.21 O ATOM 2155 CB LYS A 276 -25.271 -12.654 27.899 1.00 65.52 C ATOM 2156 CG LYS A 276 -25.150 -11.708 29.085 1.00 67.90 C ATOM 2157 CD LYS A 276 -25.430 -10.260 28.683 1.00 68.81 C ATOM 2158 H LYS A 276 -23.278 -14.682 28.059 1.00 0.00 H ATOM 2159 N ASN A 277 -27.041 -15.370 27.074 1.00 68.84 N ATOM 2160 CA ASN A 277 -27.636 -16.011 25.904 1.00 70.95 C ATOM 2161 C ASN A 277 -28.007 -14.979 24.854 1.00 71.26 C ATOM 2162 O ASN A 277 -28.470 -13.884 25.181 1.00 73.53 O ATOM 2163 CB ASN A 277 -28.889 -16.776 26.308 1.00 74.63 C ATOM 2164 CG ASN A 277 -28.611 -17.807 27.379 1.00 76.12 C ATOM 2165 OD1 ASN A 277 -27.979 -18.832 27.124 1.00 75.37 O ATOM 2166 ND2 ASN A 277 -29.059 -17.524 28.597 1.00 78.52 N ATOM 2167 HD22 ASN A 277 -29.589 -16.645 28.765 1.00 0.00 H ATOM 2168 HD21 ASN A 277 -28.880 -18.181 29.383 1.00 0.00 H ATOM 2169 H ASN A 277 -27.609 -15.268 27.939 1.00 0.00 H ATOM 2170 N ILE A 278 -27.814 -15.330 23.593 1.00 69.76 N ATOM 2171 CA ILE A 278 -28.234 -14.474 22.501 1.00 70.73 C ATOM 2172 C ILE A 278 -29.232 -15.261 21.660 1.00 72.27 C ATOM 2173 O ILE A 278 -28.871 -15.892 20.673 1.00 70.33 O ATOM 2174 CB ILE A 278 -27.026 -13.992 21.666 1.00 69.67 C ATOM 2175 CG1 ILE A 278 -25.941 -13.352 22.558 1.00 67.74 C ATOM 2176 CG2 ILE A 278 -27.467 -13.018 20.582 1.00 70.89 C ATOM 2177 CD1 ILE A 278 -26.368 -12.128 23.339 1.00 68.48 C ATOM 2178 H ILE A 278 -27.352 -16.237 23.381 1.00 0.00 H ATOM 2179 N TYR A 279 -30.494 -15.218 22.070 1.00 76.39 N ATOM 2180 CA TYR A 279 -31.520 -16.077 21.491 1.00 80.61 C ATOM 2181 C TYR A 279 -31.739 -15.813 20.008 1.00 84.56 C ATOM 2182 O TYR A 279 -31.450 -16.671 19.181 1.00 85.24 O ATOM 2183 CB TYR A 279 -32.811 -15.950 22.274 1.00 81.26 C ATOM 2184 CG TYR A 279 -32.668 -16.460 23.680 1.00 80.68 C ATOM 2185 CD1 TYR A 279 -32.424 -17.808 23.936 1.00 81.23 C ATOM 2186 CD2 TYR A 279 -32.771 -15.601 24.759 1.00 81.07 C ATOM 2187 CE1 TYR A 279 -32.296 -18.282 25.238 1.00 81.77 C ATOM 2188 CE2 TYR A 279 -32.651 -16.062 26.063 1.00 81.25 C ATOM 2189 CZ TYR A 279 -32.413 -17.397 26.301 1.00 81.34 C ATOM 2190 OH TYR A 279 -32.296 -17.820 27.603 1.00 80.88 O ATOM 2191 HH TYR A 279 -32.127 -18.795 27.618 1.00 0.00 H ATOM 2192 H TYR A 279 -30.758 -14.553 22.825 1.00 0.00 H ATOM 2193 N ARG A 280 -32.230 -14.627 19.671 1.00 89.90 N ATOM 2194 CA ARG A 280 -32.331 -14.212 18.270 1.00 93.83 C ATOM 2195 C ARG A 280 -31.062 -13.431 17.879 1.00 92.07 C ATOM 2196 O ARG A 280 -30.878 -12.285 18.299 1.00 89.58 O ATOM 2197 CB ARG A 280 -33.592 -13.370 18.034 1.00 98.37 C ATOM 2198 H ARG A 280 -32.550 -13.978 20.418 1.00 0.00 H ATOM 2199 N PRO A 281 -30.178 -14.056 17.078 1.00 93.40 N ATOM 2200 CA PRO A 281 -28.896 -13.439 16.709 1.00 92.62 C ATOM 2201 C PRO A 281 -29.049 -12.164 15.874 1.00 94.74 C ATOM 2202 O PRO A 281 -28.464 -11.122 16.212 1.00 92.90 O ATOM 2203 CB PRO A 281 -28.196 -14.537 15.877 1.00 92.20 C ATOM 2204 CG PRO A 281 -28.976 -15.793 16.109 1.00 93.53 C ATOM 2205 CD PRO A 281 -30.374 -15.348 16.392 1.00 95.48 C ATOM 2206 N ASP A 282 -29.836 -12.263 14.800 1.00 98.47 N ATOM 2207 CA ASP A 282 -30.063 -11.153 13.876 1.00 98.95 C ATOM 2208 C ASP A 282 -30.681 -9.953 14.597 1.00101.51 C ATOM 2209 O ASP A 282 -30.406 -8.807 14.233 1.00101.96 O ATOM 2210 CB ASP A 282 -30.946 -11.605 12.713 1.00 98.47 C ATOM 2211 H ASP A 282 -30.309 -13.170 14.612 1.00 0.00 H ATOM 2212 N LYS A 283 -31.488 -10.222 15.629 1.00103.27 N ATOM 2213 CA LYS A 283 -32.069 -9.163 16.468 1.00104.49 C ATOM 2214 C LYS A 283 -31.024 -8.465 17.350 1.00102.55 C ATOM 2215 O LYS A 283 -31.204 -7.305 17.720 1.00106.27 O ATOM 2216 CB LYS A 283 -33.205 -9.716 17.343 1.00106.24 C ATOM 2217 CG LYS A 283 -34.112 -8.644 17.942 1.00108.14 C ATOM 2218 CD LYS A 283 -35.121 -9.219 18.928 1.00110.69 C ATOM 2219 CE LYS A 283 -35.921 -8.115 19.611 1.00112.11 C ATOM 2220 NZ LYS A 283 -37.039 -8.648 20.436 1.00113.83 N ATOM 2221 HZ1 LYS A 283 -37.689 -9.187 19.829 1.00 0.00 H ATOM 2222 HZ2 LYS A 283 -36.656 -9.271 21.176 1.00 0.00 H ATOM 2223 HZ3 LYS A 283 -37.550 -7.857 20.878 1.00 0.00 H ATOM 2224 H LYS A 283 -31.712 -11.214 15.846 1.00 0.00 H ATOM 2225 N PHE A 284 -29.945 -9.159 17.695 1.00 98.18 N ATOM 2226 CA PHE A 284 -28.885 -8.547 18.488 1.00 99.06 C ATOM 2227 C PHE A 284 -28.155 -7.486 17.666 1.00 99.99 C ATOM 2228 O PHE A 284 -27.807 -6.415 18.185 1.00 96.67 O ATOM 2229 CB PHE A 284 -27.905 -9.619 18.981 1.00 99.60 C ATOM 2230 CG PHE A 284 -27.009 -9.169 20.116 1.00100.03 C ATOM 2231 CD1 PHE A 284 -27.542 -8.544 21.256 1.00101.70 C ATOM 2232 CD2 PHE A 284 -25.629 -9.401 20.066 1.00 95.13 C ATOM 2233 CE1 PHE A 284 -26.716 -8.146 22.307 1.00 99.16 C ATOM 2234 CE2 PHE A 284 -24.806 -9.001 21.114 1.00 93.75 C ATOM 2235 CZ PHE A 284 -25.349 -8.378 22.237 1.00 95.20 C ATOM 2236 H PHE A 284 -29.855 -10.151 17.396 1.00 0.00 H ATOM 2237 N LEU A 285 -27.952 -7.797 16.381 1.00102.55 N ATOM 2238 CA LEU A 285 -27.259 -6.911 15.424 1.00103.97 C ATOM 2239 C LEU A 285 -27.878 -5.518 15.310 1.00103.54 C ATOM 2240 O LEU A 285 -27.169 -4.527 15.139 1.00100.73 O ATOM 2241 CB LEU A 285 -27.221 -7.545 14.022 1.00106.61 C ATOM 2242 CG LEU A 285 -26.142 -8.594 13.719 1.00105.98 C ATOM 2243 CD1 LEU A 285 -26.428 -9.277 12.383 1.00108.04 C ATOM 2244 CD2 LEU A 285 -24.755 -7.964 13.719 1.00102.23 C ATOM 2245 H LEU A 285 -28.302 -8.714 16.037 1.00 0.00 H ATOM 2246 N GLN A 286 -29.200 -5.454 15.375 1.00106.26 N ATOM 2247 CA GLN A 286 -29.893 -4.176 15.386 1.00109.92 C ATOM 2248 C GLN A 286 -29.806 -3.541 16.781 1.00111.40 C ATOM 2249 O GLN A 286 -29.291 -2.423 16.935 1.00113.30 O ATOM 2250 CB GLN A 286 -31.347 -4.369 14.947 1.00111.76 C ATOM 2251 CG GLN A 286 -31.472 -4.910 13.530 1.00111.26 C ATOM 2252 H GLN A 286 -29.752 -6.334 15.419 1.00 0.00 H ATOM 2253 N CYS A 287 -30.251 -4.284 17.794 1.00110.15 N ATOM 2254 CA CYS A 287 -30.446 -3.741 19.147 1.00109.78 C ATOM 2255 C CYS A 287 -29.155 -3.330 19.874 1.00106.44 C ATOM 2256 O CYS A 287 -29.203 -2.869 21.021 1.00104.32 O ATOM 2257 CB CYS A 287 -31.268 -4.723 20.005 1.00111.16 C ATOM 2258 SG CYS A 287 -33.050 -4.698 19.659 1.00115.38 S ATOM 2259 H CYS A 287 -30.469 -5.286 17.621 1.00 0.00 H ATOM 2260 N VAL A 288 -28.010 -3.473 19.207 1.00104.32 N ATOM 2261 CA VAL A 288 -26.747 -3.005 19.788 1.00104.74 C ATOM 2262 C VAL A 288 -26.854 -1.523 20.224 1.00104.19 C ATOM 2263 O VAL A 288 -26.679 -1.186 21.423 1.00 99.05 O ATOM 2264 CB VAL A 288 -25.561 -3.177 18.804 1.00102.09 C ATOM 2265 CG1 VAL A 288 -25.233 -4.652 18.605 1.00100.19 C ATOM 2266 CG2 VAL A 288 -25.846 -2.487 17.469 1.00103.23 C ATOM 2267 H VAL A 288 -28.012 -3.920 18.268 1.00 0.00 H TER 2268 VAL A 288 HETATM 2269 O HOH 1 -9.040 -9.796 5.395 1.00 27.85 O HETATM 2270 O HOH 2 -0.290 -17.818 -7.098 1.00 52.57 O HETATM 2271 O HOH 3 14.458 -20.390 -4.478 1.00 41.86 O HETATM 2272 O HOH 4 4.088 -24.549 -5.687 1.00 32.68 O HETATM 2273 O HOH 5 10.248 -18.261 19.357 1.00 31.95 O HETATM 2274 O HOH 6 9.966 -28.562 2.835 1.00 31.09 O HETATM 2275 O HOH 7 -13.326 -2.062 13.096 1.00 26.39 O HETATM 2276 O HOH 8 -2.918 -26.130 4.911 1.00 47.05 O HETATM 2277 O HOH 9 11.462 -5.223 2.987 1.00 37.15 O HETATM 2278 O HOH 10 8.290 -12.042 10.562 1.00 29.48 O HETATM 2279 O HOH 11 10.483 -21.756 0.959 1.00 45.09 O HETATM 2280 O HOH 12 8.009 -22.684 5.099 1.00 28.24 O HETATM 2281 O HOH 13 8.438 -20.347 19.235 1.00 26.12 O HETATM 2282 O HOH 14 -5.519 -18.409 8.144 1.00 50.93 O HETATM 2283 O HOH 15 6.460 -27.670 1.917 1.00 14.79 O HETATM 2284 O HOH 16 -4.845 -9.159 28.787 1.00 21.40 O HETATM 2285 O HOH 17 -10.892 -11.695 17.795 1.00 33.93 O HETATM 2286 O HOH 18 -7.050 -20.707 0.010 1.00 27.81 O HETATM 2287 O HOH 19 -2.833 -23.385 -4.396 1.00 46.07 O HETATM 2288 O HOH 20 -3.851 -2.755 -3.759 1.00 28.92 O HETATM 2289 O HOH 21 10.985 -12.014 8.405 1.00 38.03 O HETATM 2290 O HOH 22 -12.158 -5.529 25.523 1.00 33.45 O HETATM 2291 O HOH 23 1.274 -23.431 6.981 1.00 32.96 O HETATM 2292 C01 UNN A 24 -6.586 -21.327 9.700 1.00 -0.02 C HETATM 2293 C02 UNN A 24 -6.690 -20.638 11.039 1.00 0.00 C HETATM 2294 C03 UNN A 24 -6.203 -21.259 12.189 1.00 -0.02 C HETATM 2295 C04 UNN A 24 -6.315 -20.610 13.431 1.00 0.07 C HETATM 2296 N01 UNN A 24 -5.806 -21.216 14.625 1.00 -0.30 N HETATM 2297 C05 UNN A 24 -5.515 -22.667 14.706 1.00 0.06 C HETATM 2298 C06 UNN A 24 -5.272 -23.127 16.137 1.00 0.01 C HETATM 2299 C07 UNN A 24 -6.233 -23.903 16.812 1.00 0.04 C HETATM 2300 CL1 UNN A 24 -7.738 -24.358 16.070 1.00 -0.08 CL HETATM 2301 C08 UNN A 24 -6.015 -24.321 18.126 1.00 -0.05 C HETATM 2302 C09 UNN A 24 -4.839 -23.980 18.798 1.00 -0.05 C HETATM 2303 C10 UNN A 24 -3.871 -23.209 18.136 1.00 0.05 C HETATM 2304 CL2 UNN A 24 -2.400 -22.749 18.953 1.00 -0.07 CL HETATM 2305 C11 UNN A 24 -4.078 -22.782 16.810 1.00 0.06 C HETATM 2306 CL3 UNN A 24 -2.827 -21.807 16.059 1.00 -0.08 CL HETATM 2307 H9 UNN A 24 -4.676 -24.307 19.819 1.00 0.06 H HETATM 2308 H8 UNN A 24 -6.767 -24.917 18.631 1.00 0.06 H HETATM 2309 H6 UNN A 24 -4.617 -22.882 14.108 1.00 0.07 H HETATM 2310 H7 UNN A 24 -6.371 -23.223 14.296 1.00 0.07 H HETATM 2311 H5 UNN A 24 -5.637 -20.626 15.452 1.00 0.19 H HETATM 2312 C12 UNN A 24 -6.922 -19.342 13.457 1.00 0.03 C HETATM 2313 C13 UNN A 24 -7.045 -18.652 14.668 1.00 -0.01 C HETATM 2314 C14 UNN A 24 -7.637 -17.388 14.719 1.00 0.14 C HETATM 2315 F UNN A 24 -7.737 -16.755 15.922 1.00 -0.18 F HETATM 2316 C15 UNN A 24 -8.121 -16.799 13.544 1.00 -0.01 C HETATM 2317 C16 UNN A 24 -8.028 -17.450 12.299 1.00 0.06 C HETATM 2318 C17 UNN A 24 -8.564 -16.727 11.077 1.00 0.20 C HETATM 2319 N02 UNN A 24 -9.202 -15.569 11.200 1.00 -0.30 N HETATM 2320 H12 UNN A 24 -9.551 -15.102 10.388 1.00 0.18 H HETATM 2321 H13 UNN A 24 -9.334 -15.164 12.105 1.00 0.18 H HETATM 2322 O1 UNN A 24 -8.416 -17.131 9.909 1.00 -0.39 O HETATM 2323 C1 UNN A 24 -7.409 -18.750 12.268 1.00 0.04 C HETATM 2324 N1 UNN A 24 -7.261 -19.441 11.119 1.00 -0.32 N HETATM 2325 H11 UNN A 24 -8.579 -15.818 13.594 1.00 0.07 H HETATM 2326 H10 UNN A 24 -6.675 -19.105 15.581 1.00 0.07 H HETATM 2327 H4 UNN A 24 -5.740 -22.237 12.125 1.00 0.05 H HETATM 2328 H1 UNN A 24 -6.089 -22.300 9.826 1.00 0.04 H HETATM 2329 H2 UNN A 24 -5.999 -20.702 9.011 1.00 0.04 H HETATM 2330 H3 UNN A 24 -7.594 -21.481 9.288 1.00 0.04 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 212 211 353 CONECT 353 212 352 CONECT 515 514 1278 CONECT 695 694 1479 CONECT 1087 1086 1211 CONECT 1211 1087 1210 CONECT 1278 515 1277 CONECT 1479 695 1478 CONECT 1893 1894 1900 1901 1902 CONECT 1900 1893 CONECT 1901 1893 CONECT 1902 1893 CONECT 1943 1942 2149 CONECT 2149 1943 2148 CONECT 2292 2293 2328 2329 2330 CONECT 2293 2292 2294 2324 CONECT 2294 2293 2295 2327 CONECT 2295 2294 2296 2312 CONECT 2296 2295 2297 2311 CONECT 2297 2296 2298 2309 2310 CONECT 2298 2297 2299 2305 CONECT 2299 2298 2300 2301 CONECT 2300 2299 CONECT 2301 2299 2302 2308 CONECT 2302 2301 2303 2307 CONECT 2303 2302 2304 2305 CONECT 2304 2303 CONECT 2305 2298 2303 2306 CONECT 2306 2305 CONECT 2307 2302 CONECT 2308 2301 CONECT 2309 2297 CONECT 2310 2297 CONECT 2311 2296 CONECT 2312 2295 2313 2323 CONECT 2313 2312 2314 2326 CONECT 2314 2313 2315 2316 CONECT 2315 2314 CONECT 2316 2314 2317 2325 CONECT 2317 2316 2318 2323 CONECT 2318 2317 2319 2322 CONECT 2319 2318 2320 2321 CONECT 2320 2319 CONECT 2321 2319 CONECT 2322 2318 CONECT 2323 2312 2317 2324 CONECT 2324 2293 2323 CONECT 2325 2316 CONECT 2326 2313 CONECT 2327 2294 CONECT 2328 2292 CONECT 2329 2292 CONECT 2330 2292 MASTER 0 0 0 0 0 0 0 0 2328 2 57 19 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2pgj
RCSB PDB
PDBbind
262aa, >2PGJ_1|Chains... *
2pgl
RCSB PDB
PDBbind
262aa, >2PGL_1|Chains... at 99%
3u4h
RCSB PDB
PDBbind
262aa, >3U4H_1|Chains... at 100%
3u4i
RCSB PDB
PDBbind
262aa, >3U4I_1|Chains... at 100%
4tmf
RCSB PDB
PDBbind
257aa, >4TMF_1|Chains... at 99%
4xjt
RCSB PDB
PDBbind
262aa, >4XJT_1|Chain... at 96%
6edr
RCSB PDB
PDBbind
257aa, >6EDR_1|Chains... at 98%
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
4xjs
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human CD38
Ligand Name
733
EC.Number
E.C.3.2.2.6
Resolution
2.8(Å)
Affinity (Kd/Ki/IC50)
IC50=76nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 7021-7056
Ligand Properties
Formula
C
1
8
H
1
3
Cl
3
FN
3
O
Molecular Weight
412.673
Exact Mass
411.011
No. of atoms
39
No. of bonds
41
Polar Surface Area
68.01
LOGP Value
4.93 (
Computed with XLOGP3
)
6.13 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
Fc1cc(C(=O)N)c2c(c1)c(NCc1c(Cl)ccc(c1Cl)Cl)cc(n2)C
InChI String
InChI=1S/C18H13Cl3FN3O/c1-8-4-15(24-7-12-13(19)2-3-14(20)16(12)21)10-5-9(22)6-11(18(23)26)17(10)25-8/h2-6H,7H2,1H3,(H2,23,26)(H,24,25)
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):
P28907
Entrez Gene ID
NCBI Entrez Gene ID:
952
ASD
Information of known allosteric effects of PDB entries
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