Browse entries in the PDBbind-CN Database
HEADER 6I8Z_COMPLEX COMPND 6I8Z_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 156 ASP TYR GLU ILE GLN ARG GLU ARG ILE GLU LEU GLY ARG SEQRES 2 A 156 CYS ILE GLY GLU GLY GLN PHE GLY ASP VAL HIS GLN GLY SEQRES 3 A 156 ILE TYR MET SER PRO GLU ASN PRO ALA LEU ALA VAL ALA SEQRES 4 A 156 ILE LYS THR CYS LYS ASN CYS THR SER ASP SER VAL ARG SEQRES 5 A 156 GLU LYS PHE LEU GLN GLU ALA LEU THR MET ARG GLN PHE SEQRES 6 A 156 ASP HIS PRO HIS ILE VAL LYS LEU ILE GLY VAL ILE THR SEQRES 7 A 156 GLU ASN PRO VAL TRP ILE ILE MET GLU LEU CYS THR LEU SEQRES 8 A 156 GLY GLU LEU ARG SER PHE LEU GLN VAL ARG LYS TYR SER SEQRES 9 A 156 LEU ASP LEU ALA SER LEU ILE LEU TYR ALA TYR GLN LEU SEQRES 10 A 156 SER THR ALA LEU ALA TYR LEU GLU SER LYS ARG PHE VAL SEQRES 11 A 156 HIS ARG ASP ILE ALA ALA ARG ASN VAL LEU VAL SER SER SEQRES 12 A 156 ASN ASP CYS VAL LYS LEU GLY ASP PHE GLY LEU SER ARG SEQRES 1 A 105 LEU PRO ILE LYS TRP MET ALA PRO GLU SER ILE ASN PHE SEQRES 2 A 105 ARG ARG PHE THR SER ALA SER ASP VAL TRP MET PHE GLY SEQRES 3 A 105 VAL CYS MET TRP GLU ILE LEU MET HIS GLY VAL LYS PRO SEQRES 4 A 105 PHE GLN GLY VAL LYS ASN ASN ASP VAL ILE GLY ARG ILE SEQRES 5 A 105 GLU ASN GLY GLU ARG LEU PRO MET PRO PRO ASN CYS PRO SEQRES 6 A 105 PRO THR LEU TYR SER LEU MET THR LYS CYS TRP ALA TYR SEQRES 7 A 105 ASP PRO SER ARG ARG PRO ARG PHE THR GLU LEU LYS ALA SEQRES 8 A 105 GLN LEU SER THR ILE LEU GLU GLU GLU LYS ALA GLN GLN SEQRES 9 A 105 GLU HET H A 82 69 ATOM 1 N ASP A 414 -13.171 10.632 33.975 1.00 54.68 N ATOM 2 CA ASP A 414 -13.534 11.985 33.570 1.00 54.06 C ATOM 3 C ASP A 414 -12.325 12.923 33.706 1.00 54.59 C ATOM 4 O ASP A 414 -11.499 12.733 34.601 1.00 54.59 O ATOM 5 CB ASP A 414 -14.717 12.497 34.410 1.00 56.45 C ATOM 6 CG ASP A 414 -15.287 13.811 33.921 1.00 67.51 C ATOM 7 OD1 ASP A 414 -15.624 13.902 32.719 1.00 68.41 O ATOM 8 OD2 ASP A 414 -15.385 14.755 34.734 1.00 71.90 O ATOM 9 HN3 ASP A 414 -12.856 10.641 34.966 1.00 0.00 H ATOM 10 HN2 ASP A 414 -12.401 10.285 33.369 1.00 0.00 H ATOM 11 HN1 ASP A 414 -13.998 10.009 33.878 1.00 0.00 H ATOM 12 N TYR A 415 -12.238 13.939 32.818 1.00 47.28 N ATOM 13 CA TYR A 415 -11.126 14.900 32.771 1.00 44.47 C ATOM 14 C TYR A 415 -11.392 16.251 33.497 1.00 41.85 C ATOM 15 O TYR A 415 -10.473 17.058 33.588 1.00 40.16 O ATOM 16 CB TYR A 415 -10.723 15.145 31.304 1.00 45.71 C ATOM 17 CG TYR A 415 -9.854 14.057 30.706 1.00 48.18 C ATOM 18 CD1 TYR A 415 -8.480 14.040 30.920 1.00 50.20 C ATOM 19 CD2 TYR A 415 -10.395 13.080 29.875 1.00 49.18 C ATOM 20 CE1 TYR A 415 -7.670 13.057 30.359 1.00 51.43 C ATOM 21 CE2 TYR A 415 -9.592 12.093 29.301 1.00 49.96 C ATOM 22 CZ TYR A 415 -8.227 12.088 29.545 1.00 59.54 C ATOM 23 OH TYR A 415 -7.396 11.138 28.996 1.00 64.66 O ATOM 24 HH TYR A 415 -6.465 11.306 29.289 1.00 0.00 H ATOM 25 H TYR A 415 -13.006 14.048 32.125 1.00 0.00 H ATOM 26 N GLU A 416 -12.613 16.503 34.014 1.00 35.50 N ATOM 27 CA GLU A 416 -12.908 17.757 34.717 1.00 34.89 C ATOM 28 C GLU A 416 -12.184 17.761 36.073 1.00 38.23 C ATOM 29 O GLU A 416 -12.303 16.798 36.830 1.00 37.24 O ATOM 30 CB GLU A 416 -14.423 17.945 34.923 1.00 36.36 C ATOM 31 CG GLU A 416 -14.836 19.326 35.426 1.00 42.90 C ATOM 32 CD GLU A 416 -14.646 20.497 34.475 1.00 54.40 C ATOM 33 OE1 GLU A 416 -14.701 20.290 33.241 1.00 47.91 O ATOM 34 OE2 GLU A 416 -14.468 21.634 34.970 1.00 42.19 O ATOM 35 H GLU A 416 -13.364 15.791 33.912 1.00 0.00 H ATOM 36 N ILE A 417 -11.416 18.832 36.358 1.00 34.24 N ATOM 37 CA ILE A 417 -10.652 18.976 37.603 1.00 33.73 C ATOM 38 C ILE A 417 -11.247 20.104 38.422 1.00 35.16 C ATOM 39 O ILE A 417 -11.561 21.159 37.876 1.00 33.94 O ATOM 40 CB ILE A 417 -9.143 19.204 37.288 1.00 37.33 C ATOM 41 CG1 ILE A 417 -8.508 17.879 36.822 1.00 38.22 C ATOM 42 CG2 ILE A 417 -8.389 19.775 38.518 1.00 38.64 C ATOM 43 CD1 ILE A 417 -7.130 17.995 36.231 1.00 46.18 C ATOM 44 H ILE A 417 -11.362 19.598 35.657 1.00 0.00 H ATOM 45 N GLN A 418 -11.343 19.904 39.744 1.00 32.27 N ATOM 46 CA GLN A 418 -11.874 20.911 40.664 1.00 31.67 C ATOM 47 C GLN A 418 -10.734 21.928 40.872 1.00 32.28 C ATOM 48 O GLN A 418 -9.581 21.520 41.025 1.00 31.46 O ATOM 49 CB GLN A 418 -12.328 20.269 41.999 1.00 33.84 C ATOM 50 CG GLN A 418 -13.551 19.338 41.873 1.00 55.20 C ATOM 51 CD GLN A 418 -13.259 18.024 41.169 1.00 78.59 C ATOM 52 OE1 GLN A 418 -12.264 17.347 41.456 1.00 71.65 O ATOM 53 NE2 GLN A 418 -14.102 17.633 40.211 1.00 74.79 N ATOM 54 HE22 GLN A 418 -14.934 18.213 39.982 1.00 0.00 H ATOM 55 HE21 GLN A 418 -13.927 16.748 39.694 1.00 0.00 H ATOM 56 H GLN A 418 -11.026 18.993 40.133 1.00 0.00 H ATOM 57 N ARG A 419 -11.035 23.232 40.788 1.00 27.39 N ATOM 58 CA ARG A 419 -10.009 24.287 40.871 1.00 27.19 C ATOM 59 C ARG A 419 -9.223 24.305 42.178 1.00 31.70 C ATOM 60 O ARG A 419 -8.024 24.581 42.144 1.00 31.44 O ATOM 61 CB ARG A 419 -10.609 25.677 40.602 1.00 27.30 C ATOM 62 CG ARG A 419 -9.527 26.711 40.212 1.00 34.24 C ATOM 63 CD ARG A 419 -10.103 28.076 39.909 1.00 38.93 C ATOM 64 NE ARG A 419 -11.096 28.022 38.831 1.00 35.23 N ATOM 65 CZ ARG A 419 -10.837 28.010 37.527 1.00 42.42 C ATOM 66 NH1 ARG A 419 -9.580 28.043 37.087 1.00 34.59 N ATOM 67 NH2 ARG A 419 -11.831 27.973 36.648 1.00 29.84 N ATOM 68 HE ARG A 419 -12.097 27.990 39.113 1.00 0.00 H ATOM 69 HH12 ARG A 419 -9.386 28.033 36.065 1.00 0.00 H ATOM 70 HH11 ARG A 419 -8.792 28.078 37.765 1.00 0.00 H ATOM 71 HH22 ARG A 419 -11.624 27.964 35.629 1.00 0.00 H ATOM 72 HH21 ARG A 419 -12.817 27.953 36.978 1.00 0.00 H ATOM 73 H ARG A 419 -12.029 23.509 40.660 1.00 0.00 H ATOM 74 N GLU A 420 -9.860 23.930 43.303 1.00 27.64 N ATOM 75 CA GLU A 420 -9.210 23.897 44.626 1.00 27.09 C ATOM 76 C GLU A 420 -8.066 22.863 44.693 1.00 30.99 C ATOM 77 O GLU A 420 -7.177 23.015 45.527 1.00 30.93 O ATOM 78 CB GLU A 420 -10.247 23.638 45.737 1.00 27.98 C ATOM 79 CG GLU A 420 -11.276 24.753 45.873 1.00 33.27 C ATOM 80 CD GLU A 420 -12.472 24.713 44.939 1.00 47.40 C ATOM 81 OE1 GLU A 420 -12.531 23.819 44.066 1.00 36.25 O ATOM 82 OE2 GLU A 420 -13.345 25.597 45.065 1.00 47.31 O ATOM 83 H GLU A 420 -10.859 23.650 43.236 1.00 0.00 H ATOM 84 N ARG A 421 -8.061 21.844 43.800 1.00 27.16 N ATOM 85 CA ARG A 421 -6.987 20.837 43.747 1.00 27.47 C ATOM 86 C ARG A 421 -5.730 21.337 43.006 1.00 31.14 C ATOM 87 O ARG A 421 -4.703 20.666 43.068 1.00 31.42 O ATOM 88 CB ARG A 421 -7.503 19.541 43.093 1.00 30.78 C ATOM 89 CG ARG A 421 -8.619 18.899 43.901 1.00 36.61 C ATOM 90 CD ARG A 421 -9.018 17.508 43.447 1.00 51.64 C ATOM 91 NE ARG A 421 -9.784 16.805 44.485 1.00 64.84 N ATOM 92 CZ ARG A 421 -9.271 16.228 45.574 1.00 82.81 C ATOM 93 NH1 ARG A 421 -7.961 16.268 45.809 1.00 70.50 N ATOM 94 NH2 ARG A 421 -10.064 15.615 46.443 1.00 76.43 N ATOM 95 HE ARG A 421 -10.815 16.752 44.361 1.00 0.00 H ATOM 96 HH12 ARG A 421 -7.571 15.815 46.660 1.00 0.00 H ATOM 97 HH11 ARG A 421 -7.327 16.752 45.141 1.00 0.00 H ATOM 98 HH22 ARG A 421 -9.659 15.167 47.290 1.00 0.00 H ATOM 99 HH21 ARG A 421 -11.090 15.582 46.277 1.00 0.00 H ATOM 100 H ARG A 421 -8.848 21.770 43.124 1.00 0.00 H ATOM 101 N ILE A 422 -5.800 22.505 42.326 1.00 26.96 N ATOM 102 CA ILE A 422 -4.684 23.083 41.574 1.00 26.27 C ATOM 103 C ILE A 422 -4.110 24.287 42.297 1.00 32.85 C ATOM 104 O ILE A 422 -4.856 25.198 42.645 1.00 32.30 O ATOM 105 CB ILE A 422 -5.146 23.479 40.135 1.00 28.61 C ATOM 106 CG1 ILE A 422 -5.657 22.257 39.341 1.00 28.02 C ATOM 107 CG2 ILE A 422 -4.026 24.206 39.348 1.00 29.04 C ATOM 108 CD1 ILE A 422 -4.589 21.194 39.003 1.00 29.30 C ATOM 109 H ILE A 422 -6.701 23.024 42.338 1.00 0.00 H ATOM 110 N GLU A 423 -2.777 24.317 42.467 1.00 31.32 N ATOM 111 CA GLU A 423 -2.071 25.463 43.035 1.00 31.56 C ATOM 112 C GLU A 423 -1.233 26.045 41.888 1.00 34.48 C ATOM 113 O GLU A 423 -0.326 25.382 41.394 1.00 32.69 O ATOM 114 CB GLU A 423 -1.189 25.045 44.218 1.00 33.20 C ATOM 115 CG GLU A 423 -0.537 26.225 44.917 1.00 49.61 C ATOM 116 CD GLU A 423 0.028 25.935 46.295 1.00 77.20 C ATOM 117 OE1 GLU A 423 0.235 24.744 46.626 1.00 76.71 O ATOM 118 OE2 GLU A 423 0.270 26.909 47.045 1.00 73.69 O ATOM 119 H GLU A 423 -2.222 23.485 42.181 1.00 0.00 H ATOM 120 N LEU A 424 -1.559 27.266 41.452 1.00 32.17 N ATOM 121 CA LEU A 424 -0.880 27.925 40.336 1.00 32.76 C ATOM 122 C LEU A 424 0.491 28.446 40.782 1.00 36.25 C ATOM 123 O LEU A 424 0.561 29.229 41.723 1.00 36.49 O ATOM 124 CB LEU A 424 -1.769 29.069 39.793 1.00 33.20 C ATOM 125 CG LEU A 424 -1.618 29.448 38.319 1.00 38.39 C ATOM 126 CD1 LEU A 424 -2.264 28.414 37.411 1.00 39.04 C ATOM 127 CD2 LEU A 424 -2.294 30.778 38.041 1.00 40.72 C ATOM 128 H LEU A 424 -2.332 27.772 41.929 1.00 0.00 H ATOM 129 N GLY A 425 1.558 27.982 40.124 1.00 31.48 N ATOM 130 CA GLY A 425 2.933 28.379 40.420 1.00 31.21 C ATOM 131 C GLY A 425 3.467 29.415 39.451 1.00 33.67 C ATOM 132 O GLY A 425 2.687 30.153 38.842 1.00 33.55 O ATOM 133 H GLY A 425 1.400 27.298 39.356 1.00 0.00 H ATOM 134 N ARG A 426 4.801 29.465 39.281 1.00 29.34 N ATOM 135 CA ARG A 426 5.438 30.460 38.416 1.00 28.45 C ATOM 136 C ARG A 426 5.156 30.250 36.931 1.00 30.42 C ATOM 137 O ARG A 426 4.927 29.127 36.481 1.00 28.83 O ATOM 138 CB ARG A 426 6.969 30.546 38.664 1.00 30.16 C ATOM 139 CG ARG A 426 7.804 29.358 38.153 1.00 44.32 C ATOM 140 CD ARG A 426 9.284 29.562 38.433 1.00 64.23 C ATOM 141 NE ARG A 426 10.058 28.319 38.326 1.00 78.27 N ATOM 142 CZ ARG A 426 10.627 27.836 37.218 1.00 93.64 C ATOM 143 NH1 ARG A 426 10.517 28.485 36.062 1.00 79.20 N ATOM 144 NH2 ARG A 426 11.308 26.696 37.259 1.00 82.14 N ATOM 145 HE ARG A 426 10.174 27.761 39.196 1.00 0.00 H ATOM 146 HH12 ARG A 426 10.964 28.100 35.205 1.00 0.00 H ATOM 147 HH11 ARG A 426 9.984 29.377 36.015 1.00 0.00 H ATOM 148 HH22 ARG A 426 11.750 26.323 36.395 1.00 0.00 H ATOM 149 HH21 ARG A 426 11.399 26.177 38.155 1.00 0.00 H ATOM 150 H ARG A 426 5.398 28.775 39.780 1.00 0.00 H ATOM 151 N CYS A 427 5.213 31.347 36.176 1.00 26.36 N ATOM 152 CA CYS A 427 5.029 31.341 34.731 1.00 27.28 C ATOM 153 C CYS A 427 6.235 30.636 34.074 1.00 29.37 C ATOM 154 O CYS A 427 7.377 30.903 34.444 1.00 28.93 O ATOM 155 CB CYS A 427 4.858 32.769 34.214 1.00 29.08 C ATOM 156 SG CYS A 427 4.707 32.898 32.415 1.00 34.24 S ATOM 157 H CYS A 427 5.399 32.257 36.644 1.00 0.00 H ATOM 158 N ILE A 428 5.975 29.687 33.164 1.00 24.15 N ATOM 159 CA ILE A 428 7.020 28.935 32.447 1.00 23.50 C ATOM 160 C ILE A 428 7.041 29.228 30.950 1.00 28.43 C ATOM 161 O ILE A 428 7.950 28.775 30.257 1.00 28.52 O ATOM 162 CB ILE A 428 6.933 27.407 32.718 1.00 25.75 C ATOM 163 CG1 ILE A 428 5.539 26.831 32.391 1.00 25.80 C ATOM 164 CG2 ILE A 428 7.326 27.097 34.157 1.00 25.48 C ATOM 165 CD1 ILE A 428 5.503 25.334 32.336 1.00 26.50 C ATOM 166 H ILE A 428 4.980 29.469 32.952 1.00 0.00 H ATOM 167 N GLY A 429 6.059 29.962 30.449 1.00 25.44 N ATOM 168 CA GLY A 429 6.009 30.274 29.032 1.00 25.51 C ATOM 169 C GLY A 429 4.738 30.992 28.644 1.00 30.00 C ATOM 170 O GLY A 429 3.940 31.381 29.501 1.00 26.73 O ATOM 171 H GLY A 429 5.313 30.320 31.079 1.00 0.00 H ATOM 172 N GLU A 430 4.558 31.172 27.342 1.00 30.17 N ATOM 173 CA GLU A 430 3.391 31.833 26.783 1.00 32.24 C ATOM 174 C GLU A 430 2.899 31.018 25.612 1.00 37.16 C ATOM 175 O GLU A 430 3.699 30.396 24.905 1.00 38.21 O ATOM 176 CB GLU A 430 3.737 33.259 26.292 1.00 34.75 C ATOM 177 CG GLU A 430 4.632 34.073 27.220 1.00 50.66 C ATOM 178 CD GLU A 430 6.129 33.840 27.095 1.00 84.84 C ATOM 179 OE1 GLU A 430 6.631 33.733 25.951 1.00 84.97 O ATOM 180 OE2 GLU A 430 6.805 33.780 28.147 1.00 84.33 O ATOM 181 H GLU A 430 5.288 30.823 26.689 1.00 0.00 H ATOM 182 N GLY A 431 1.594 31.037 25.414 1.00 32.03 N ATOM 183 CA GLY A 431 0.944 30.412 24.275 1.00 31.07 C ATOM 184 C GLY A 431 0.024 31.433 23.643 1.00 34.43 C ATOM 185 O GLY A 431 -0.141 32.526 24.187 1.00 34.29 O ATOM 186 H GLY A 431 0.998 31.526 26.112 1.00 0.00 H ATOM 187 N GLN A 432 -0.571 31.093 22.497 1.00 31.75 N ATOM 188 CA GLN A 432 -1.509 31.953 21.763 1.00 31.38 C ATOM 189 C GLN A 432 -2.624 32.514 22.669 1.00 34.26 C ATOM 190 O GLN A 432 -2.985 33.684 22.544 1.00 33.96 O ATOM 191 CB GLN A 432 -2.142 31.146 20.604 1.00 32.78 C ATOM 192 CG GLN A 432 -3.234 31.879 19.804 1.00 46.65 C ATOM 193 CD GLN A 432 -3.924 30.993 18.789 1.00 62.23 C ATOM 194 OE1 GLN A 432 -3.463 29.893 18.452 1.00 56.85 O ATOM 195 NE2 GLN A 432 -5.057 31.457 18.277 1.00 53.83 N ATOM 196 HE22 GLN A 432 -5.422 32.383 18.577 1.00 0.00 H ATOM 197 HE21 GLN A 432 -5.580 30.894 17.576 1.00 0.00 H ATOM 198 H GLN A 432 -0.356 30.157 22.097 1.00 0.00 H ATOM 199 N PHE A 433 -3.167 31.678 23.563 1.00 29.48 N ATOM 200 CA PHE A 433 -4.276 32.062 24.437 1.00 28.41 C ATOM 201 C PHE A 433 -3.888 32.696 25.767 1.00 30.49 C ATOM 202 O PHE A 433 -4.722 33.357 26.374 1.00 30.18 O ATOM 203 CB PHE A 433 -5.169 30.842 24.687 1.00 29.77 C ATOM 204 CG PHE A 433 -5.776 30.312 23.415 1.00 30.68 C ATOM 205 CD1 PHE A 433 -6.911 30.893 22.874 1.00 34.29 C ATOM 206 CD2 PHE A 433 -5.169 29.278 22.718 1.00 31.38 C ATOM 207 CE1 PHE A 433 -7.455 30.416 21.679 1.00 35.23 C ATOM 208 CE2 PHE A 433 -5.732 28.787 21.544 1.00 34.02 C ATOM 209 CZ PHE A 433 -6.872 29.355 21.035 1.00 32.93 C ATOM 210 H PHE A 433 -2.784 30.714 23.639 1.00 0.00 H ATOM 211 N GLY A 434 -2.668 32.489 26.238 1.00 26.87 N ATOM 212 CA GLY A 434 -2.265 33.054 27.521 1.00 26.45 C ATOM 213 C GLY A 434 -1.024 32.434 28.116 1.00 29.51 C ATOM 214 O GLY A 434 -0.392 31.581 27.494 1.00 27.48 O ATOM 215 H GLY A 434 -1.992 31.920 25.689 1.00 0.00 H ATOM 216 N ASP A 435 -0.670 32.869 29.330 1.00 27.05 N ATOM 217 CA ASP A 435 0.522 32.370 30.023 1.00 26.92 C ATOM 218 C ASP A 435 0.398 30.895 30.406 1.00 29.33 C ATOM 219 O ASP A 435 -0.690 30.418 30.699 1.00 28.50 O ATOM 220 CB ASP A 435 0.817 33.194 31.289 1.00 28.79 C ATOM 221 CG ASP A 435 1.387 34.583 31.043 1.00 45.09 C ATOM 222 OD1 ASP A 435 1.651 34.921 29.868 1.00 46.74 O ATOM 223 OD2 ASP A 435 1.582 35.324 32.029 1.00 52.60 O ATOM 224 H ASP A 435 -1.260 33.586 29.799 1.00 0.00 H ATOM 225 N VAL A 436 1.532 30.195 30.438 1.00 25.12 N ATOM 226 CA VAL A 436 1.610 28.798 30.833 1.00 22.90 C ATOM 227 C VAL A 436 2.345 28.838 32.183 1.00 26.87 C ATOM 228 O VAL A 436 3.368 29.523 32.311 1.00 25.74 O ATOM 229 CB VAL A 436 2.373 27.945 29.776 1.00 25.17 C ATOM 230 CG1 VAL A 436 2.330 26.457 30.137 1.00 23.65 C ATOM 231 CG2 VAL A 436 1.803 28.173 28.366 1.00 24.72 C ATOM 232 H VAL A 436 2.412 30.676 30.164 1.00 0.00 H ATOM 233 N HIS A 437 1.830 28.126 33.181 1.00 23.10 N ATOM 234 CA HIS A 437 2.424 28.085 34.513 1.00 23.40 C ATOM 235 C HIS A 437 2.785 26.679 34.918 1.00 27.62 C ATOM 236 O HIS A 437 2.216 25.726 34.410 1.00 26.67 O ATOM 237 CB HIS A 437 1.413 28.621 35.550 1.00 24.78 C ATOM 238 CG HIS A 437 1.114 30.082 35.411 1.00 28.69 C ATOM 239 ND1 HIS A 437 1.652 31.019 36.289 1.00 30.72 N ATOM 240 CD2 HIS A 437 0.350 30.729 34.502 1.00 30.49 C ATOM 241 CE1 HIS A 437 1.207 32.197 35.880 1.00 29.89 C ATOM 242 NE2 HIS A 437 0.423 32.076 34.802 1.00 30.33 N ATOM 243 H HIS A 437 0.966 27.574 33.004 1.00 0.00 H ATOM 244 N GLN A 438 3.712 26.546 35.868 1.00 24.20 N ATOM 245 CA GLN A 438 3.957 25.264 36.492 1.00 24.06 C ATOM 246 C GLN A 438 3.066 25.335 37.728 1.00 28.51 C ATOM 247 O GLN A 438 2.647 26.420 38.131 1.00 27.52 O ATOM 248 CB GLN A 438 5.430 25.016 36.853 1.00 25.72 C ATOM 249 CG GLN A 438 6.045 25.925 37.917 1.00 35.65 C ATOM 250 CD GLN A 438 7.411 25.413 38.278 1.00 51.20 C ATOM 251 OE1 GLN A 438 7.649 24.931 39.381 1.00 54.26 O ATOM 252 NE2 GLN A 438 8.346 25.497 37.359 1.00 38.08 N ATOM 253 HE22 GLN A 438 8.126 25.909 36.430 1.00 0.00 H ATOM 254 HE21 GLN A 438 9.306 25.152 37.561 1.00 0.00 H ATOM 255 H GLN A 438 4.266 27.375 36.164 1.00 0.00 H ATOM 256 N GLY A 439 2.725 24.198 38.276 1.00 27.11 N ATOM 257 CA GLY A 439 1.903 24.168 39.471 1.00 27.34 C ATOM 258 C GLY A 439 1.862 22.801 40.097 1.00 30.58 C ATOM 259 O GLY A 439 2.675 21.932 39.766 1.00 29.12 O ATOM 260 H GLY A 439 3.047 23.305 37.851 1.00 0.00 H ATOM 261 N ILE A 440 0.946 22.631 41.043 1.00 27.74 N ATOM 262 CA ILE A 440 0.806 21.378 41.768 1.00 28.74 C ATOM 263 C ILE A 440 -0.641 20.940 41.691 1.00 30.59 C ATOM 264 O ILE A 440 -1.540 21.758 41.854 1.00 27.98 O ATOM 265 CB ILE A 440 1.277 21.543 43.244 1.00 32.38 C ATOM 266 CG1 ILE A 440 2.770 21.975 43.313 1.00 33.13 C ATOM 267 CG2 ILE A 440 1.052 20.238 44.027 1.00 34.10 C ATOM 268 CD1 ILE A 440 3.174 22.668 44.628 1.00 44.08 C ATOM 269 H ILE A 440 0.308 23.419 41.273 1.00 0.00 H ATOM 270 N TYR A 441 -0.851 19.640 41.461 1.00 28.00 N ATOM 271 CA TYR A 441 -2.162 19.031 41.413 1.00 28.92 C ATOM 272 C TYR A 441 -2.214 17.990 42.528 1.00 36.83 C ATOM 273 O TYR A 441 -1.353 17.114 42.595 1.00 35.16 O ATOM 274 CB TYR A 441 -2.427 18.405 40.034 1.00 29.52 C ATOM 275 CG TYR A 441 -3.675 17.552 39.973 1.00 31.34 C ATOM 276 CD1 TYR A 441 -4.880 18.001 40.506 1.00 32.80 C ATOM 277 CD2 TYR A 441 -3.663 16.309 39.351 1.00 32.55 C ATOM 278 CE1 TYR A 441 -6.030 17.220 40.456 1.00 33.63 C ATOM 279 CE2 TYR A 441 -4.806 15.521 39.283 1.00 33.63 C ATOM 280 CZ TYR A 441 -5.991 15.979 39.840 1.00 41.21 C ATOM 281 OH TYR A 441 -7.128 15.210 39.811 1.00 41.40 O ATOM 282 HH TYR A 441 -7.867 15.699 40.253 1.00 0.00 H ATOM 283 H TYR A 441 -0.023 19.030 41.307 1.00 0.00 H ATOM 284 N MET A 442 -3.216 18.097 43.394 1.00 37.99 N ATOM 285 CA MET A 442 -3.393 17.187 44.526 1.00 41.13 C ATOM 286 C MET A 442 -4.577 16.298 44.160 1.00 46.95 C ATOM 287 O MET A 442 -5.720 16.715 44.323 1.00 44.82 O ATOM 288 CB MET A 442 -3.630 17.968 45.845 1.00 44.92 C ATOM 289 CG MET A 442 -3.083 19.394 45.824 1.00 50.86 C ATOM 290 SD MET A 442 -2.757 20.127 47.440 1.00 57.47 S ATOM 291 CE MET A 442 -4.363 19.992 48.188 1.00 54.35 C ATOM 292 H MET A 442 -3.907 18.863 43.261 1.00 0.00 H ATOM 293 N SER A 443 -4.304 15.121 43.557 1.00 46.93 N ATOM 294 CA SER A 443 -5.378 14.205 43.137 1.00 49.01 C ATOM 295 C SER A 443 -6.044 13.578 44.366 1.00 56.74 C ATOM 296 O SER A 443 -5.416 13.523 45.426 1.00 56.12 O ATOM 297 CB SER A 443 -4.866 13.124 42.183 1.00 53.14 C ATOM 298 OG SER A 443 -3.470 13.204 41.946 1.00 65.58 O ATOM 299 HG SER A 443 -2.985 13.102 42.803 1.00 0.00 H ATOM 300 H SER A 443 -3.313 14.855 43.385 1.00 0.00 H ATOM 301 N PRO A 444 -7.309 13.106 44.257 1.00 57.63 N ATOM 302 CA PRO A 444 -7.979 12.537 45.440 1.00 58.82 C ATOM 303 C PRO A 444 -7.253 11.355 46.081 1.00 66.03 C ATOM 304 O PRO A 444 -7.115 11.339 47.302 1.00 65.39 O ATOM 305 CB PRO A 444 -9.380 12.134 44.942 1.00 60.49 C ATOM 306 CG PRO A 444 -9.462 12.497 43.530 1.00 64.53 C ATOM 307 CD PRO A 444 -8.176 13.100 43.063 1.00 60.03 C ATOM 308 N GLU A 445 -6.779 10.397 45.264 1.00 65.54 N ATOM 309 CA GLU A 445 -6.113 9.176 45.742 1.00 66.72 C ATOM 310 C GLU A 445 -4.589 9.138 45.529 1.00 71.28 C ATOM 311 O GLU A 445 -3.949 8.258 46.103 1.00 71.04 O ATOM 312 CB GLU A 445 -6.778 7.941 45.100 1.00 68.45 C ATOM 313 CG GLU A 445 -8.198 7.682 45.578 1.00 81.57 C ATOM 314 CD GLU A 445 -8.312 6.820 46.824 1.00104.89 C ATOM 315 OE1 GLU A 445 -8.796 7.335 47.858 1.00 97.85 O ATOM 316 OE2 GLU A 445 -7.937 5.626 46.763 1.00101.11 O ATOM 317 H GLU A 445 -6.890 10.527 44.238 1.00 0.00 H ATOM 318 N ASN A 446 -3.989 10.074 44.768 1.00 68.46 N ATOM 319 CA ASN A 446 -2.531 10.010 44.578 1.00 68.24 C ATOM 320 C ASN A 446 -1.760 11.396 44.706 1.00 70.89 C ATOM 321 O ASN A 446 -1.255 11.916 43.703 1.00 71.02 O ATOM 322 CB ASN A 446 -1.965 9.094 43.471 1.00 69.84 C ATOM 323 CG ASN A 446 -2.941 8.612 42.399 1.00 98.32 C ATOM 324 OD1 ASN A 446 -3.996 9.213 42.144 1.00 91.70 O ATOM 325 ND2 ASN A 446 -2.609 7.503 41.745 1.00 93.99 N ATOM 326 HD22 ASN A 446 -1.721 7.012 41.972 1.00 0.00 H ATOM 327 HD21 ASN A 446 -3.238 7.127 41.007 1.00 0.00 H ATOM 328 H ASN A 446 -4.547 10.830 44.322 1.00 0.00 H ATOM 329 N PRO A 447 -1.713 11.956 45.963 1.00 65.22 N ATOM 330 CA PRO A 447 -0.981 13.196 46.306 1.00 63.67 C ATOM 331 C PRO A 447 -0.200 14.062 45.276 1.00 61.05 C ATOM 332 O PRO A 447 -0.444 14.006 44.081 1.00 60.70 O ATOM 333 CB PRO A 447 -0.031 12.654 47.370 1.00 65.76 C ATOM 334 CG PRO A 447 -0.939 11.531 48.110 1.00 70.98 C ATOM 335 CD PRO A 447 -2.182 11.380 47.236 1.00 66.72 C ATOM 336 N ALA A 448 0.606 15.021 45.807 1.00 52.22 N ATOM 337 CA ALA A 448 1.399 16.026 45.069 1.00 49.34 C ATOM 338 C ALA A 448 1.996 15.598 43.725 1.00 47.16 C ATOM 339 O ALA A 448 3.021 14.916 43.677 1.00 48.13 O ATOM 340 CB ALA A 448 2.518 16.548 45.956 1.00 50.14 C ATOM 341 H ALA A 448 0.671 15.050 46.845 1.00 0.00 H ATOM 342 N LEU A 449 1.364 16.042 42.633 1.00 37.75 N ATOM 343 CA LEU A 449 1.837 15.806 41.276 1.00 34.80 C ATOM 344 C LEU A 449 2.185 17.158 40.656 1.00 34.91 C ATOM 345 O LEU A 449 1.341 18.050 40.632 1.00 31.66 O ATOM 346 CB LEU A 449 0.758 15.102 40.443 1.00 34.45 C ATOM 347 CG LEU A 449 1.104 14.847 38.973 1.00 39.06 C ATOM 348 CD1 LEU A 449 2.393 14.024 38.830 1.00 39.78 C ATOM 349 CD2 LEU A 449 -0.040 14.170 38.264 1.00 39.93 C ATOM 350 H LEU A 449 0.487 16.586 42.760 1.00 0.00 H ATOM 351 N ALA A 450 3.423 17.313 40.153 1.00 30.77 N ATOM 352 CA ALA A 450 3.809 18.559 39.499 1.00 30.22 C ATOM 353 C ALA A 450 3.130 18.584 38.120 1.00 31.48 C ATOM 354 O ALA A 450 3.117 17.560 37.444 1.00 31.37 O ATOM 355 CB ALA A 450 5.319 18.643 39.363 1.00 30.81 C ATOM 356 H ALA A 450 4.111 16.537 40.231 1.00 0.00 H ATOM 357 N VAL A 451 2.497 19.715 37.751 1.00 24.64 N ATOM 358 CA VAL A 451 1.760 19.857 36.487 1.00 22.82 C ATOM 359 C VAL A 451 2.080 21.175 35.801 1.00 24.99 C ATOM 360 O VAL A 451 2.620 22.081 36.431 1.00 23.29 O ATOM 361 CB VAL A 451 0.226 19.732 36.718 1.00 25.69 C ATOM 362 CG1 VAL A 451 -0.130 18.350 37.245 1.00 25.48 C ATOM 363 CG2 VAL A 451 -0.303 20.827 37.657 1.00 25.59 C ATOM 364 H VAL A 451 2.532 20.531 38.395 1.00 0.00 H ATOM 365 N ALA A 452 1.771 21.252 34.493 1.00 21.62 N ATOM 366 CA ALA A 452 1.876 22.469 33.701 1.00 20.79 C ATOM 367 C ALA A 452 0.427 22.940 33.491 1.00 24.55 C ATOM 368 O ALA A 452 -0.458 22.100 33.324 1.00 25.24 O ATOM 369 CB ALA A 452 2.561 22.194 32.371 1.00 21.35 C ATOM 370 H ALA A 452 1.437 20.389 34.019 1.00 0.00 H ATOM 371 N ILE A 453 0.163 24.252 33.594 1.00 20.70 N ATOM 372 CA ILE A 453 -1.189 24.802 33.478 1.00 20.43 C ATOM 373 C ILE A 453 -1.237 25.826 32.374 1.00 23.81 C ATOM 374 O ILE A 453 -0.648 26.903 32.516 1.00 23.07 O ATOM 375 CB ILE A 453 -1.693 25.408 34.826 1.00 23.52 C ATOM 376 CG1 ILE A 453 -1.672 24.351 35.955 1.00 25.31 C ATOM 377 CG2 ILE A 453 -3.125 25.977 34.676 1.00 23.31 C ATOM 378 CD1 ILE A 453 -0.660 24.594 36.988 1.00 36.68 C ATOM 379 H ILE A 453 0.953 24.906 33.764 1.00 0.00 H ATOM 380 N LYS A 454 -1.986 25.525 31.295 1.00 19.76 N ATOM 381 CA LYS A 454 -2.177 26.488 30.221 1.00 19.37 C ATOM 382 C LYS A 454 -3.368 27.340 30.630 1.00 23.56 C ATOM 383 O LYS A 454 -4.403 26.794 31.019 1.00 22.30 O ATOM 384 CB LYS A 454 -2.484 25.809 28.880 1.00 20.05 C ATOM 385 CG LYS A 454 -1.329 25.012 28.289 1.00 22.88 C ATOM 386 CD LYS A 454 -1.796 24.080 27.155 1.00 24.20 C ATOM 387 CE LYS A 454 -2.414 24.818 25.973 1.00 28.44 C ATOM 388 NZ LYS A 454 -2.885 23.880 24.917 1.00 30.20 N ATOM 389 HZ1 LYS A 454 -2.081 23.321 24.568 1.00 0.00 H ATOM 390 HZ2 LYS A 454 -3.604 23.243 25.316 1.00 0.00 H ATOM 391 HZ3 LYS A 454 -3.298 24.423 24.132 1.00 0.00 H ATOM 392 H LYS A 454 -2.435 24.589 31.229 1.00 0.00 H ATOM 393 N THR A 455 -3.229 28.660 30.533 1.00 21.22 N ATOM 394 CA THR A 455 -4.302 29.603 30.863 1.00 21.58 C ATOM 395 C THR A 455 -4.819 30.243 29.578 1.00 26.41 C ATOM 396 O THR A 455 -4.174 30.162 28.538 1.00 23.92 O ATOM 397 CB THR A 455 -3.851 30.637 31.906 1.00 26.75 C ATOM 398 OG1 THR A 455 -3.004 31.605 31.295 1.00 25.39 O ATOM 399 CG2 THR A 455 -3.176 29.999 33.121 1.00 24.43 C ATOM 400 HG1 THR A 455 -2.208 31.154 30.917 1.00 0.00 H ATOM 401 H THR A 455 -2.317 29.040 30.208 1.00 0.00 H ATOM 402 N CYS A 456 -5.984 30.884 29.660 1.00 26.47 N ATOM 403 CA CYS A 456 -6.639 31.467 28.504 1.00 28.61 C ATOM 404 C CYS A 456 -7.328 32.765 28.924 1.00 35.43 C ATOM 405 O CYS A 456 -8.350 32.734 29.606 1.00 35.03 O ATOM 406 CB CYS A 456 -7.622 30.449 27.941 1.00 30.03 C ATOM 407 SG CYS A 456 -8.525 31.001 26.478 1.00 34.43 S ATOM 408 H CYS A 456 -6.442 30.970 30.590 1.00 0.00 H ATOM 409 N LYS A 457 -6.733 33.905 28.541 1.00 33.52 N ATOM 410 CA LYS A 457 -7.207 35.239 28.926 1.00 34.50 C ATOM 411 C LYS A 457 -8.603 35.566 28.403 1.00 38.84 C ATOM 412 O LYS A 457 -9.335 36.273 29.086 1.00 39.38 O ATOM 413 CB LYS A 457 -6.256 36.328 28.392 1.00 37.12 C ATOM 414 CG LYS A 457 -4.813 36.235 28.871 1.00 51.36 C ATOM 415 CD LYS A 457 -3.951 37.405 28.377 1.00 61.31 C ATOM 416 CE LYS A 457 -3.444 37.240 26.954 1.00 65.21 C ATOM 417 NZ LYS A 457 -4.487 37.475 25.917 1.00 70.39 N ATOM 418 HZ1 LYS A 457 -5.265 36.798 26.050 1.00 0.00 H ATOM 419 HZ2 LYS A 457 -4.851 38.445 26.007 1.00 0.00 H ATOM 420 HZ3 LYS A 457 -4.071 37.345 24.973 1.00 0.00 H ATOM 421 H LYS A 457 -5.889 33.839 27.937 1.00 0.00 H ATOM 422 N ASN A 458 -8.951 35.109 27.190 1.00 35.62 N ATOM 423 CA ASN A 458 -10.211 35.457 26.545 1.00 36.24 C ATOM 424 C ASN A 458 -11.243 34.338 26.455 1.00 41.34 C ATOM 425 O ASN A 458 -12.144 34.458 25.622 1.00 40.33 O ATOM 426 CB ASN A 458 -9.905 36.011 25.145 1.00 34.82 C ATOM 427 CG ASN A 458 -9.054 37.251 25.182 1.00 53.66 C ATOM 428 OD1 ASN A 458 -9.200 38.101 26.070 1.00 46.20 O ATOM 429 ND2 ASN A 458 -8.160 37.392 24.222 1.00 46.30 N ATOM 430 HD22 ASN A 458 -8.062 36.659 23.491 1.00 0.00 H ATOM 431 HD21 ASN A 458 -7.553 38.236 24.197 1.00 0.00 H ATOM 432 H ASN A 458 -8.293 34.479 26.688 1.00 0.00 H ATOM 433 N CYS A 459 -11.233 33.310 27.327 1.00 39.41 N ATOM 434 CA CYS A 459 -12.325 32.387 27.056 1.00 39.92 C ATOM 435 C CYS A 459 -13.589 32.532 27.940 1.00 40.62 C ATOM 436 O CYS A 459 -14.333 31.574 28.154 1.00 38.86 O ATOM 437 CB CYS A 459 -12.057 30.938 26.638 1.00 41.74 C ATOM 438 SG CYS A 459 -10.804 30.018 27.561 1.00 46.55 S ATOM 439 H CYS A 459 -10.538 33.192 28.091 1.00 0.00 H ATOM 440 N THR A 460 -13.931 33.797 28.226 1.00 36.65 N ATOM 441 CA THR A 460 -15.236 34.211 28.716 1.00 36.41 C ATOM 442 C THR A 460 -16.112 34.169 27.444 1.00 40.70 C ATOM 443 O THR A 460 -17.325 33.993 27.533 1.00 40.80 O ATOM 444 CB THR A 460 -15.161 35.592 29.365 1.00 46.41 C ATOM 445 OG1 THR A 460 -14.393 36.456 28.516 1.00 45.43 O ATOM 446 CG2 THR A 460 -14.533 35.524 30.759 1.00 45.56 C ATOM 447 HG1 THR A 460 -13.482 36.085 28.407 1.00 0.00 H ATOM 448 H THR A 460 -13.211 34.535 28.087 1.00 0.00 H ATOM 449 N SER A 461 -15.466 34.306 26.249 1.00 38.32 N ATOM 450 CA SER A 461 -16.098 34.179 24.937 1.00 39.14 C ATOM 451 C SER A 461 -16.039 32.694 24.523 1.00 42.32 C ATOM 452 O SER A 461 -14.953 32.117 24.520 1.00 40.47 O ATOM 453 CB SER A 461 -15.349 35.028 23.910 1.00 44.09 C ATOM 454 OG SER A 461 -15.245 36.379 24.335 1.00 56.12 O ATOM 455 HG SER A 461 -14.756 36.902 23.651 1.00 0.00 H ATOM 456 H SER A 461 -14.448 34.517 26.274 1.00 0.00 H ATOM 457 N ASP A 462 -17.193 32.076 24.182 1.00 39.33 N ATOM 458 CA ASP A 462 -17.229 30.650 23.807 1.00 39.34 C ATOM 459 C ASP A 462 -16.469 30.326 22.506 1.00 41.39 C ATOM 460 O ASP A 462 -16.032 29.191 22.333 1.00 40.06 O ATOM 461 CB ASP A 462 -18.675 30.119 23.730 1.00 41.45 C ATOM 462 CG ASP A 462 -18.746 28.601 23.646 1.00 53.71 C ATOM 463 OD1 ASP A 462 -18.110 27.926 24.491 1.00 53.44 O ATOM 464 OD2 ASP A 462 -19.414 28.088 22.723 1.00 61.30 O ATOM 465 H ASP A 462 -18.079 32.621 24.184 1.00 0.00 H ATOM 466 N SER A 463 -16.311 31.308 21.603 1.00 38.06 N ATOM 467 CA SER A 463 -15.552 31.129 20.361 1.00 37.70 C ATOM 468 C SER A 463 -14.072 30.830 20.680 1.00 38.79 C ATOM 469 O SER A 463 -13.461 29.972 20.045 1.00 38.38 O ATOM 470 CB SER A 463 -15.646 32.389 19.502 1.00 42.90 C ATOM 471 OG SER A 463 -14.987 32.201 18.261 1.00 57.99 O ATOM 472 HG SER A 463 -14.032 31.995 18.423 1.00 0.00 H ATOM 473 H SER A 463 -16.745 32.234 21.793 1.00 0.00 H ATOM 474 N VAL A 464 -13.521 31.511 21.691 1.00 33.17 N ATOM 475 CA VAL A 464 -12.129 31.317 22.131 1.00 32.18 C ATOM 476 C VAL A 464 -12.052 30.010 22.942 1.00 32.91 C ATOM 477 O VAL A 464 -11.106 29.238 22.776 1.00 30.37 O ATOM 478 CB VAL A 464 -11.650 32.529 22.974 1.00 35.92 C ATOM 479 CG1 VAL A 464 -10.212 32.342 23.467 1.00 34.93 C ATOM 480 CG2 VAL A 464 -11.777 33.837 22.181 1.00 36.07 C ATOM 481 H VAL A 464 -14.104 32.212 22.191 1.00 0.00 H ATOM 482 N ARG A 465 -13.060 29.780 23.821 1.00 29.03 N ATOM 483 CA ARG A 465 -13.163 28.588 24.682 1.00 28.27 C ATOM 484 C ARG A 465 -13.120 27.322 23.870 1.00 30.27 C ATOM 485 O ARG A 465 -12.382 26.405 24.216 1.00 28.89 O ATOM 486 CB ARG A 465 -14.489 28.615 25.479 1.00 28.36 C ATOM 487 CG ARG A 465 -14.509 27.746 26.733 1.00 39.32 C ATOM 488 CD ARG A 465 -15.429 28.346 27.800 1.00 50.05 C ATOM 489 NE ARG A 465 -16.394 27.402 28.350 1.00 66.19 N ATOM 490 CZ ARG A 465 -17.240 27.681 29.339 1.00 83.83 C ATOM 491 NH1 ARG A 465 -17.238 28.884 29.911 1.00 70.79 N ATOM 492 NH2 ARG A 465 -18.081 26.754 29.781 1.00 73.80 N ATOM 493 HE ARG A 465 -16.423 26.446 27.942 1.00 0.00 H ATOM 494 HH12 ARG A 465 -17.902 29.094 30.683 1.00 0.00 H ATOM 495 HH11 ARG A 465 -16.572 29.613 29.585 1.00 0.00 H ATOM 496 HH22 ARG A 465 -18.740 26.976 30.554 1.00 0.00 H ATOM 497 HH21 ARG A 465 -18.081 25.806 29.354 1.00 0.00 H ATOM 498 H ARG A 465 -13.812 30.495 23.892 1.00 0.00 H ATOM 499 N GLU A 466 -13.909 27.268 22.791 1.00 28.17 N ATOM 500 CA GLU A 466 -13.947 26.080 21.940 1.00 29.05 C ATOM 501 C GLU A 466 -12.594 25.813 21.278 1.00 30.44 C ATOM 502 O GLU A 466 -12.166 24.665 21.253 1.00 29.17 O ATOM 503 CB GLU A 466 -15.062 26.172 20.895 1.00 30.89 C ATOM 504 CG GLU A 466 -15.464 24.808 20.357 1.00 44.98 C ATOM 505 CD GLU A 466 -16.312 24.870 19.107 1.00 65.55 C ATOM 506 OE1 GLU A 466 -17.216 25.734 19.045 1.00 47.08 O ATOM 507 OE2 GLU A 466 -16.082 24.045 18.195 1.00 67.50 O ATOM 508 H GLU A 466 -14.506 28.086 22.553 1.00 0.00 H ATOM 509 N LYS A 467 -11.907 26.858 20.786 1.00 26.99 N ATOM 510 CA LYS A 467 -10.586 26.696 20.158 1.00 26.18 C ATOM 511 C LYS A 467 -9.533 26.279 21.192 1.00 28.41 C ATOM 512 O LYS A 467 -8.715 25.409 20.906 1.00 28.58 O ATOM 513 CB LYS A 467 -10.136 27.989 19.457 1.00 29.22 C ATOM 514 CG LYS A 467 -10.896 28.305 18.171 1.00 44.77 C ATOM 515 CD LYS A 467 -10.272 29.503 17.424 1.00 58.40 C ATOM 516 CE LYS A 467 -11.189 30.691 17.216 1.00 73.13 C ATOM 517 NZ LYS A 467 -11.670 30.790 15.810 1.00 83.14 N ATOM 518 HZ1 LYS A 467 -10.855 30.894 15.173 1.00 0.00 H ATOM 519 HZ2 LYS A 467 -12.196 29.928 15.563 1.00 0.00 H ATOM 520 HZ3 LYS A 467 -12.294 31.617 15.716 1.00 0.00 H ATOM 521 H LYS A 467 -12.321 27.810 20.851 1.00 0.00 H ATOM 522 N PHE A 468 -9.579 26.872 22.401 1.00 23.20 N ATOM 523 CA PHE A 468 -8.645 26.550 23.480 1.00 21.61 C ATOM 524 C PHE A 468 -8.851 25.097 23.938 1.00 25.60 C ATOM 525 O PHE A 468 -7.905 24.314 23.922 1.00 24.87 O ATOM 526 CB PHE A 468 -8.847 27.519 24.669 1.00 22.09 C ATOM 527 CG PHE A 468 -7.886 27.305 25.820 1.00 22.41 C ATOM 528 CD1 PHE A 468 -6.518 27.464 25.640 1.00 22.76 C ATOM 529 CD2 PHE A 468 -8.352 26.994 27.090 1.00 23.83 C ATOM 530 CE1 PHE A 468 -5.636 27.302 26.703 1.00 23.05 C ATOM 531 CE2 PHE A 468 -7.457 26.826 28.155 1.00 25.87 C ATOM 532 CZ PHE A 468 -6.111 26.979 27.948 1.00 23.19 C ATOM 533 H PHE A 468 -10.311 27.590 22.575 1.00 0.00 H ATOM 534 N LEU A 469 -10.084 24.734 24.315 1.00 22.60 N ATOM 535 CA LEU A 469 -10.366 23.382 24.803 1.00 23.24 C ATOM 536 C LEU A 469 -10.200 22.301 23.737 1.00 28.29 C ATOM 537 O LEU A 469 -9.913 21.166 24.104 1.00 27.71 O ATOM 538 CB LEU A 469 -11.749 23.304 25.475 1.00 23.08 C ATOM 539 CG LEU A 469 -11.879 24.100 26.792 1.00 27.17 C ATOM 540 CD1 LEU A 469 -13.301 24.045 27.319 1.00 27.10 C ATOM 541 CD2 LEU A 469 -10.908 23.590 27.868 1.00 28.13 C ATOM 542 H LEU A 469 -10.858 25.427 24.260 1.00 0.00 H ATOM 543 N GLN A 470 -10.294 22.649 22.430 1.00 25.26 N ATOM 544 CA GLN A 470 -10.028 21.702 21.345 1.00 24.94 C ATOM 545 C GLN A 470 -8.538 21.264 21.386 1.00 27.21 C ATOM 546 O GLN A 470 -8.220 20.125 21.027 1.00 26.91 O ATOM 547 CB GLN A 470 -10.409 22.318 19.975 1.00 26.01 C ATOM 548 CG GLN A 470 -10.204 21.409 18.764 1.00 36.54 C ATOM 549 CD GLN A 470 -10.985 20.118 18.866 1.00 55.82 C ATOM 550 OE1 GLN A 470 -12.201 20.128 19.077 1.00 51.51 O ATOM 551 NE2 GLN A 470 -10.309 18.979 18.730 1.00 49.36 N ATOM 552 HE22 GLN A 470 -9.284 19.000 18.553 1.00 0.00 H ATOM 553 HE21 GLN A 470 -10.806 18.068 18.801 1.00 0.00 H ATOM 554 H GLN A 470 -10.565 23.624 22.189 1.00 0.00 H ATOM 555 N GLU A 471 -7.640 22.139 21.875 1.00 22.26 N ATOM 556 CA GLU A 471 -6.218 21.795 22.028 1.00 21.54 C ATOM 557 C GLU A 471 -6.048 20.684 23.068 1.00 25.59 C ATOM 558 O GLU A 471 -5.173 19.848 22.894 1.00 24.48 O ATOM 559 CB GLU A 471 -5.374 23.011 22.431 1.00 22.48 C ATOM 560 CG GLU A 471 -5.493 24.174 21.466 1.00 28.40 C ATOM 561 CD GLU A 471 -4.404 25.204 21.625 1.00 37.03 C ATOM 562 OE1 GLU A 471 -4.035 25.840 20.614 1.00 27.18 O ATOM 563 OE2 GLU A 471 -3.898 25.355 22.758 1.00 28.76 O ATOM 564 H GLU A 471 -7.961 23.088 22.153 1.00 0.00 H ATOM 565 N ALA A 472 -6.883 20.666 24.141 1.00 22.72 N ATOM 566 CA ALA A 472 -6.848 19.605 25.154 1.00 22.98 C ATOM 567 C ALA A 472 -7.367 18.304 24.539 1.00 27.63 C ATOM 568 O ALA A 472 -6.745 17.257 24.717 1.00 25.87 O ATOM 569 CB ALA A 472 -7.708 19.978 26.359 1.00 24.08 C ATOM 570 H ALA A 472 -7.574 21.435 24.248 1.00 0.00 H ATOM 571 N LEU A 473 -8.489 18.381 23.782 1.00 26.97 N ATOM 572 CA LEU A 473 -9.053 17.231 23.051 1.00 27.99 C ATOM 573 C LEU A 473 -8.008 16.638 22.101 1.00 29.37 C ATOM 574 O LEU A 473 -7.913 15.420 22.005 1.00 28.56 O ATOM 575 CB LEU A 473 -10.327 17.618 22.270 1.00 29.20 C ATOM 576 CG LEU A 473 -11.588 17.801 23.110 1.00 37.38 C ATOM 577 CD1 LEU A 473 -12.608 18.717 22.403 1.00 39.25 C ATOM 578 CD2 LEU A 473 -12.250 16.461 23.404 1.00 42.08 C ATOM 579 H LEU A 473 -8.977 19.297 23.713 1.00 0.00 H ATOM 580 N THR A 474 -7.183 17.490 21.466 1.00 25.16 N ATOM 581 CA THR A 474 -6.123 17.039 20.556 1.00 26.35 C ATOM 582 C THR A 474 -5.083 16.177 21.271 1.00 28.07 C ATOM 583 O THR A 474 -4.703 15.144 20.743 1.00 27.62 O ATOM 584 CB THR A 474 -5.489 18.238 19.820 1.00 33.57 C ATOM 585 OG1 THR A 474 -6.519 18.895 19.087 1.00 30.90 O ATOM 586 CG2 THR A 474 -4.361 17.829 18.865 1.00 33.14 C ATOM 587 HG1 THR A 474 -7.220 19.207 19.713 1.00 0.00 H ATOM 588 H THR A 474 -7.301 18.511 21.626 1.00 0.00 H ATOM 589 N MET A 475 -4.648 16.573 22.470 1.00 23.41 N ATOM 590 CA MET A 475 -3.664 15.790 23.235 1.00 22.06 C ATOM 591 C MET A 475 -4.285 14.547 23.872 1.00 27.79 C ATOM 592 O MET A 475 -3.563 13.572 24.091 1.00 27.47 O ATOM 593 CB MET A 475 -3.012 16.657 24.320 1.00 23.00 C ATOM 594 CG MET A 475 -2.290 17.892 23.767 1.00 25.06 C ATOM 595 SD MET A 475 -1.188 17.594 22.343 1.00 27.72 S ATOM 596 CE MET A 475 0.103 16.596 23.155 1.00 24.81 C ATOM 597 H MET A 475 -5.014 17.458 22.874 1.00 0.00 H ATOM 598 N ARG A 476 -5.609 14.585 24.174 1.00 25.69 N ATOM 599 CA ARG A 476 -6.382 13.466 24.775 1.00 26.47 C ATOM 600 C ARG A 476 -6.291 12.195 23.921 1.00 31.60 C ATOM 601 O ARG A 476 -6.241 11.097 24.470 1.00 31.70 O ATOM 602 CB ARG A 476 -7.872 13.865 24.873 1.00 29.52 C ATOM 603 CG ARG A 476 -8.719 13.299 26.027 1.00 37.47 C ATOM 604 CD ARG A 476 -10.199 13.652 25.806 1.00 54.90 C ATOM 605 NE ARG A 476 -10.870 14.407 26.883 1.00 72.51 N ATOM 606 CZ ARG A 476 -10.757 15.718 27.133 1.00 88.53 C ATOM 607 NH1 ARG A 476 -9.918 16.470 26.430 1.00 74.23 N ATOM 608 NH2 ARG A 476 -11.454 16.277 28.116 1.00 77.29 N ATOM 609 HE ARG A 476 -11.495 13.865 27.513 1.00 0.00 H ATOM 610 HH12 ARG A 476 -9.837 17.487 26.632 1.00 0.00 H ATOM 611 HH11 ARG A 476 -9.341 16.042 25.678 1.00 0.00 H ATOM 612 HH22 ARG A 476 -11.362 17.296 28.305 1.00 0.00 H ATOM 613 HH21 ARG A 476 -12.092 15.696 28.697 1.00 0.00 H ATOM 614 H ARG A 476 -6.122 15.466 23.969 1.00 0.00 H ATOM 615 N GLN A 477 -6.334 12.345 22.575 1.00 28.78 N ATOM 616 CA GLN A 477 -6.282 11.195 21.657 1.00 28.93 C ATOM 617 C GLN A 477 -4.922 10.487 21.608 1.00 31.84 C ATOM 618 O GLN A 477 -4.878 9.360 21.123 1.00 32.16 O ATOM 619 CB GLN A 477 -6.746 11.542 20.216 1.00 31.10 C ATOM 620 CG GLN A 477 -6.210 12.850 19.653 1.00 43.77 C ATOM 621 CD GLN A 477 -6.211 13.073 18.151 1.00 61.41 C ATOM 622 OE1 GLN A 477 -5.699 14.101 17.690 1.00 54.37 O ATOM 623 NE2 GLN A 477 -6.793 12.192 17.334 1.00 54.61 N ATOM 624 HE22 GLN A 477 -7.223 11.328 17.722 1.00 0.00 H ATOM 625 HE21 GLN A 477 -6.816 12.369 16.310 1.00 0.00 H ATOM 626 H GLN A 477 -6.406 13.303 22.178 1.00 0.00 H ATOM 627 N PHE A 478 -3.828 11.105 22.107 1.00 27.06 N ATOM 628 CA PHE A 478 -2.494 10.502 22.059 1.00 26.03 C ATOM 629 C PHE A 478 -2.043 9.962 23.409 1.00 31.06 C ATOM 630 O PHE A 478 -2.308 10.573 24.436 1.00 30.29 O ATOM 631 CB PHE A 478 -1.477 11.514 21.483 1.00 27.02 C ATOM 632 CG PHE A 478 -1.878 11.978 20.098 1.00 28.20 C ATOM 633 CD1 PHE A 478 -2.033 11.064 19.060 1.00 30.83 C ATOM 634 CD2 PHE A 478 -2.216 13.306 19.860 1.00 29.51 C ATOM 635 CE1 PHE A 478 -2.490 11.477 17.803 1.00 31.88 C ATOM 636 CE2 PHE A 478 -2.650 13.719 18.598 1.00 32.59 C ATOM 637 CZ PHE A 478 -2.781 12.803 17.577 1.00 31.06 C ATOM 638 H PHE A 478 -3.938 12.044 22.541 1.00 0.00 H ATOM 639 N ASP A 479 -1.359 8.803 23.390 1.00 28.64 N ATOM 640 CA ASP A 479 -0.849 8.129 24.582 1.00 28.47 C ATOM 641 C ASP A 479 0.503 7.490 24.227 1.00 31.82 C ATOM 642 O ASP A 479 0.545 6.363 23.750 1.00 32.01 O ATOM 643 CB ASP A 479 -1.880 7.072 25.051 1.00 30.52 C ATOM 644 CG ASP A 479 -1.472 6.236 26.249 1.00 40.21 C ATOM 645 OD1 ASP A 479 -0.508 6.619 26.938 1.00 40.11 O ATOM 646 OD2 ASP A 479 -2.120 5.191 26.494 1.00 47.02 O ATOM 647 H ASP A 479 -1.182 8.358 22.467 1.00 0.00 H ATOM 648 N HIS A 480 1.602 8.236 24.426 1.00 27.02 N ATOM 649 CA HIS A 480 2.944 7.762 24.106 1.00 24.60 C ATOM 650 C HIS A 480 3.931 8.220 25.187 1.00 27.42 C ATOM 651 O HIS A 480 3.753 9.319 25.711 1.00 27.11 O ATOM 652 CB HIS A 480 3.357 8.312 22.733 1.00 24.51 C ATOM 653 CG HIS A 480 4.619 7.711 22.207 1.00 27.20 C ATOM 654 ND1 HIS A 480 5.847 8.297 22.452 1.00 28.26 N ATOM 655 CD2 HIS A 480 4.809 6.561 21.515 1.00 28.72 C ATOM 656 CE1 HIS A 480 6.740 7.505 21.882 1.00 28.10 C ATOM 657 NE2 HIS A 480 6.161 6.445 21.308 1.00 28.51 N ATOM 658 H HIS A 480 1.492 9.190 24.824 1.00 0.00 H ATOM 659 N PRO A 481 5.008 7.459 25.505 1.00 24.68 N ATOM 660 CA PRO A 481 5.934 7.927 26.551 1.00 24.71 C ATOM 661 C PRO A 481 6.713 9.207 26.235 1.00 26.69 C ATOM 662 O PRO A 481 7.205 9.832 27.164 1.00 26.13 O ATOM 663 CB PRO A 481 6.896 6.736 26.746 1.00 26.73 C ATOM 664 CG PRO A 481 6.220 5.577 26.146 1.00 30.71 C ATOM 665 CD PRO A 481 5.388 6.110 25.031 1.00 26.25 C ATOM 666 N HIS A 482 6.848 9.587 24.949 1.00 22.09 N ATOM 667 CA HIS A 482 7.611 10.773 24.563 1.00 21.43 C ATOM 668 C HIS A 482 6.741 11.878 23.936 1.00 24.92 C ATOM 669 O HIS A 482 7.200 12.653 23.097 1.00 25.96 O ATOM 670 CB HIS A 482 8.774 10.339 23.669 1.00 21.59 C ATOM 671 CG HIS A 482 9.684 9.419 24.412 1.00 23.87 C ATOM 672 ND1 HIS A 482 10.465 9.876 25.455 1.00 25.29 N ATOM 673 CD2 HIS A 482 9.826 8.078 24.318 1.00 25.34 C ATOM 674 CE1 HIS A 482 11.083 8.813 25.941 1.00 24.35 C ATOM 675 NE2 HIS A 482 10.742 7.709 25.277 1.00 24.85 N ATOM 676 H HIS A 482 6.394 9.018 24.206 1.00 0.00 H ATOM 677 N ILE A 483 5.498 11.979 24.400 1.00 20.71 N ATOM 678 CA ILE A 483 4.578 13.058 24.048 1.00 19.72 C ATOM 679 C ILE A 483 3.932 13.459 25.379 1.00 24.63 C ATOM 680 O ILE A 483 3.429 12.582 26.083 1.00 24.59 O ATOM 681 CB ILE A 483 3.502 12.661 22.997 1.00 21.62 C ATOM 682 CG1 ILE A 483 4.154 12.092 21.721 1.00 20.67 C ATOM 683 CG2 ILE A 483 2.605 13.894 22.651 1.00 20.85 C ATOM 684 CD1 ILE A 483 3.176 11.551 20.665 1.00 22.09 C ATOM 685 H ILE A 483 5.160 11.244 25.054 1.00 0.00 H ATOM 686 N VAL A 484 3.920 14.767 25.717 1.00 20.59 N ATOM 687 CA VAL A 484 3.276 15.216 26.957 1.00 20.40 C ATOM 688 C VAL A 484 1.821 14.790 27.000 1.00 24.51 C ATOM 689 O VAL A 484 1.120 14.893 25.995 1.00 23.68 O ATOM 690 CB VAL A 484 3.389 16.739 27.242 1.00 24.18 C ATOM 691 CG1 VAL A 484 4.827 17.140 27.498 1.00 24.53 C ATOM 692 CG2 VAL A 484 2.755 17.588 26.140 1.00 23.57 C ATOM 693 H VAL A 484 4.372 15.464 25.091 1.00 0.00 H ATOM 694 N LYS A 485 1.361 14.356 28.175 1.00 22.12 N ATOM 695 CA LYS A 485 -0.008 13.894 28.357 1.00 22.08 C ATOM 696 C LYS A 485 -0.907 14.970 28.945 1.00 24.04 C ATOM 697 O LYS A 485 -0.458 15.842 29.707 1.00 20.98 O ATOM 698 CB LYS A 485 -0.041 12.679 29.301 1.00 25.56 C ATOM 699 CG LYS A 485 0.874 11.537 28.878 1.00 41.60 C ATOM 700 CD LYS A 485 0.141 10.196 28.880 1.00 49.63 C ATOM 701 CE LYS A 485 0.978 9.008 28.463 1.00 52.16 C ATOM 702 NZ LYS A 485 2.284 8.930 29.176 1.00 60.40 N ATOM 703 HZ1 LYS A 485 2.837 9.789 28.979 1.00 0.00 H ATOM 704 HZ2 LYS A 485 2.115 8.852 30.199 1.00 0.00 H ATOM 705 HZ3 LYS A 485 2.809 8.095 28.845 1.00 0.00 H ATOM 706 H LYS A 485 2.005 14.347 28.992 1.00 0.00 H ATOM 707 N LEU A 486 -2.205 14.831 28.654 1.00 21.92 N ATOM 708 CA LEU A 486 -3.256 15.665 29.217 1.00 22.38 C ATOM 709 C LEU A 486 -3.615 15.049 30.569 1.00 25.17 C ATOM 710 O LEU A 486 -3.781 13.835 30.663 1.00 24.60 O ATOM 711 CB LEU A 486 -4.517 15.680 28.316 1.00 22.98 C ATOM 712 CG LEU A 486 -5.769 16.365 28.926 1.00 27.53 C ATOM 713 CD1 LEU A 486 -5.580 17.864 29.026 1.00 26.79 C ATOM 714 CD2 LEU A 486 -6.997 16.032 28.128 1.00 30.16 C ATOM 715 H LEU A 486 -2.479 14.083 27.986 1.00 0.00 H ATOM 716 N ILE A 487 -3.739 15.878 31.600 1.00 21.22 N ATOM 717 CA ILE A 487 -4.161 15.418 32.921 1.00 22.29 C ATOM 718 C ILE A 487 -5.656 15.745 33.085 1.00 27.39 C ATOM 719 O ILE A 487 -6.410 14.900 33.560 1.00 27.06 O ATOM 720 CB ILE A 487 -3.237 15.969 34.045 1.00 25.36 C ATOM 721 CG1 ILE A 487 -1.859 15.258 33.940 1.00 26.52 C ATOM 722 CG2 ILE A 487 -3.846 15.743 35.448 1.00 25.03 C ATOM 723 CD1 ILE A 487 -0.801 15.745 34.854 1.00 30.99 C ATOM 724 H ILE A 487 -3.529 16.887 31.462 1.00 0.00 H ATOM 725 N GLY A 488 -6.066 16.946 32.685 1.00 24.21 N ATOM 726 CA GLY A 488 -7.462 17.355 32.757 1.00 23.37 C ATOM 727 C GLY A 488 -7.701 18.799 32.389 1.00 25.50 C ATOM 728 O GLY A 488 -6.798 19.480 31.902 1.00 25.06 O ATOM 729 H GLY A 488 -5.365 17.616 32.308 1.00 0.00 H ATOM 730 N VAL A 489 -8.935 19.257 32.604 1.00 21.89 N ATOM 731 CA VAL A 489 -9.376 20.607 32.263 1.00 21.92 C ATOM 732 C VAL A 489 -10.280 21.186 33.341 1.00 27.35 C ATOM 733 O VAL A 489 -10.929 20.447 34.087 1.00 27.30 O ATOM 734 CB VAL A 489 -10.136 20.611 30.892 1.00 25.24 C ATOM 735 CG1 VAL A 489 -9.204 20.216 29.745 1.00 24.48 C ATOM 736 CG2 VAL A 489 -11.354 19.679 30.919 1.00 24.64 C ATOM 737 H VAL A 489 -9.625 18.614 33.041 1.00 0.00 H ATOM 738 N ILE A 490 -10.351 22.519 33.381 1.00 24.16 N ATOM 739 CA ILE A 490 -11.267 23.270 34.231 1.00 23.93 C ATOM 740 C ILE A 490 -11.990 24.133 33.222 1.00 27.99 C ATOM 741 O ILE A 490 -11.403 25.066 32.687 1.00 25.33 O ATOM 742 CB ILE A 490 -10.567 24.068 35.339 1.00 26.91 C ATOM 743 CG1 ILE A 490 -9.514 23.158 36.047 1.00 27.05 C ATOM 744 CG2 ILE A 490 -11.627 24.623 36.308 1.00 27.81 C ATOM 745 CD1 ILE A 490 -9.094 23.570 37.404 1.00 30.93 C ATOM 746 H ILE A 490 -9.710 23.058 32.764 1.00 0.00 H ATOM 747 N THR A 491 -13.214 23.737 32.866 1.00 26.67 N ATOM 748 CA THR A 491 -13.957 24.354 31.768 1.00 27.75 C ATOM 749 C THR A 491 -14.748 25.610 32.150 1.00 34.55 C ATOM 750 O THR A 491 -15.378 26.169 31.263 1.00 36.37 O ATOM 751 CB THR A 491 -14.845 23.293 31.110 1.00 31.06 C ATOM 752 OG1 THR A 491 -15.770 22.815 32.085 1.00 25.97 O ATOM 753 CG2 THR A 491 -14.014 22.134 30.526 1.00 30.09 C ATOM 754 HG1 THR A 491 -15.273 22.419 32.844 1.00 0.00 H ATOM 755 H THR A 491 -13.658 22.957 33.392 1.00 0.00 H ATOM 756 N GLU A 492 -14.702 26.092 33.406 1.00 31.34 N ATOM 757 CA GLU A 492 -15.372 27.354 33.746 1.00 31.75 C ATOM 758 C GLU A 492 -14.313 28.436 33.960 1.00 32.46 C ATOM 759 O GLU A 492 -13.153 28.121 34.227 1.00 30.08 O ATOM 760 CB GLU A 492 -16.326 27.191 34.946 1.00 33.84 C ATOM 761 CG GLU A 492 -17.705 27.806 34.733 1.00 50.86 C ATOM 762 CD GLU A 492 -18.406 27.480 33.423 1.00 74.23 C ATOM 763 OE1 GLU A 492 -18.591 28.411 32.606 1.00 74.80 O ATOM 764 OE2 GLU A 492 -18.750 26.296 33.204 1.00 63.93 O ATOM 765 H GLU A 492 -14.188 25.567 34.142 1.00 0.00 H ATOM 766 N ASN A 493 -14.706 29.706 33.789 1.00 28.04 N ATOM 767 CA ASN A 493 -13.778 30.839 33.851 1.00 28.33 C ATOM 768 C ASN A 493 -13.090 31.025 35.214 1.00 32.91 C ATOM 769 O ASN A 493 -13.790 31.064 36.225 1.00 31.93 O ATOM 770 CB ASN A 493 -14.489 32.150 33.482 1.00 32.37 C ATOM 771 CG ASN A 493 -15.170 32.120 32.130 1.00 60.02 C ATOM 772 OD1 ASN A 493 -14.611 31.627 31.139 1.00 54.25 O ATOM 773 ND2 ASN A 493 -16.399 32.638 32.057 1.00 51.98 N ATOM 774 HD22 ASN A 493 -16.843 33.045 32.905 1.00 0.00 H ATOM 775 HD21 ASN A 493 -16.912 32.634 31.152 1.00 0.00 H ATOM 776 H ASN A 493 -15.712 29.896 33.605 1.00 0.00 H ATOM 777 N PRO A 494 -11.748 31.222 35.281 1.00 29.77 N ATOM 778 CA PRO A 494 -10.759 31.184 34.187 1.00 29.17 C ATOM 779 C PRO A 494 -10.506 29.738 33.718 1.00 31.89 C ATOM 780 O PRO A 494 -10.191 28.854 34.521 1.00 30.15 O ATOM 781 CB PRO A 494 -9.533 31.867 34.808 1.00 31.16 C ATOM 782 CG PRO A 494 -9.620 31.544 36.271 1.00 35.55 C ATOM 783 CD PRO A 494 -11.104 31.470 36.589 1.00 31.60 C ATOM 784 N VAL A 495 -10.670 29.493 32.409 1.00 28.43 N ATOM 785 CA VAL A 495 -10.551 28.154 31.823 1.00 26.57 C ATOM 786 C VAL A 495 -9.091 27.730 31.795 1.00 27.63 C ATOM 787 O VAL A 495 -8.272 28.478 31.282 1.00 25.95 O ATOM 788 CB VAL A 495 -11.152 28.118 30.403 1.00 29.56 C ATOM 789 CG1 VAL A 495 -10.981 26.753 29.744 1.00 28.60 C ATOM 790 CG2 VAL A 495 -12.630 28.512 30.411 1.00 29.79 C ATOM 791 H VAL A 495 -10.892 30.291 31.780 1.00 0.00 H ATOM 792 N TRP A 496 -8.780 26.508 32.281 1.00 23.49 N ATOM 793 CA TRP A 496 -7.412 25.991 32.319 1.00 23.87 C ATOM 794 C TRP A 496 -7.329 24.581 31.747 1.00 26.30 C ATOM 795 O TRP A 496 -8.272 23.804 31.902 1.00 25.24 O ATOM 796 CB TRP A 496 -6.908 25.899 33.785 1.00 23.20 C ATOM 797 CG TRP A 496 -6.690 27.190 34.515 1.00 24.49 C ATOM 798 CD1 TRP A 496 -6.570 28.439 33.982 1.00 27.12 C ATOM 799 CD2 TRP A 496 -6.472 27.334 35.923 1.00 25.02 C ATOM 800 NE1 TRP A 496 -6.348 29.362 34.978 1.00 26.48 N ATOM 801 CE2 TRP A 496 -6.271 28.709 36.179 1.00 28.45 C ATOM 802 CE3 TRP A 496 -6.478 26.438 37.007 1.00 26.90 C ATOM 803 CZ2 TRP A 496 -6.079 29.208 37.472 1.00 28.08 C ATOM 804 CZ3 TRP A 496 -6.296 26.936 38.285 1.00 28.08 C ATOM 805 CH2 TRP A 496 -6.098 28.305 38.508 1.00 28.62 C ATOM 806 HE1 TRP A 496 -6.254 30.389 34.841 1.00 0.00 H ATOM 807 H TRP A 496 -9.548 25.908 32.644 1.00 0.00 H ATOM 808 N ILE A 497 -6.152 24.222 31.197 1.00 21.83 N ATOM 809 CA ILE A 497 -5.839 22.868 30.736 1.00 21.00 C ATOM 810 C ILE A 497 -4.649 22.418 31.591 1.00 24.69 C ATOM 811 O ILE A 497 -3.620 23.102 31.616 1.00 23.11 O ATOM 812 CB ILE A 497 -5.517 22.778 29.219 1.00 23.29 C ATOM 813 CG1 ILE A 497 -6.704 23.291 28.385 1.00 23.08 C ATOM 814 CG2 ILE A 497 -5.152 21.318 28.829 1.00 23.53 C ATOM 815 CD1 ILE A 497 -6.324 23.660 26.911 1.00 31.22 C ATOM 816 H ILE A 497 -5.420 24.953 31.094 1.00 0.00 H ATOM 817 N ILE A 498 -4.793 21.278 32.285 1.00 20.99 N ATOM 818 CA ILE A 498 -3.765 20.739 33.174 1.00 20.22 C ATOM 819 C ILE A 498 -3.018 19.677 32.393 1.00 23.18 C ATOM 820 O ILE A 498 -3.624 18.718 31.919 1.00 21.37 O ATOM 821 CB ILE A 498 -4.378 20.155 34.474 1.00 23.09 C ATOM 822 CG1 ILE A 498 -5.464 21.096 35.076 1.00 24.02 C ATOM 823 CG2 ILE A 498 -3.272 19.837 35.507 1.00 21.52 C ATOM 824 CD1 ILE A 498 -5.031 22.525 35.360 1.00 27.61 C ATOM 825 H ILE A 498 -5.683 20.750 32.185 1.00 0.00 H ATOM 826 N MET A 499 -1.711 19.858 32.241 1.00 20.34 N ATOM 827 CA MET A 499 -0.876 18.930 31.506 1.00 19.74 C ATOM 828 C MET A 499 0.187 18.379 32.424 1.00 24.37 C ATOM 829 O MET A 499 0.462 18.935 33.481 1.00 23.96 O ATOM 830 CB MET A 499 -0.169 19.656 30.347 1.00 21.02 C ATOM 831 CG MET A 499 -1.092 20.302 29.320 1.00 24.02 C ATOM 832 SD MET A 499 -2.028 19.118 28.335 1.00 27.78 S ATOM 833 CE MET A 499 -0.728 18.387 27.336 1.00 24.06 C ATOM 834 H MET A 499 -1.270 20.698 32.666 1.00 0.00 H ATOM 835 N GLU A 500 0.836 17.313 31.970 1.00 23.75 N ATOM 836 CA GLU A 500 2.008 16.713 32.615 1.00 24.58 C ATOM 837 C GLU A 500 3.118 17.776 32.625 1.00 25.84 C ATOM 838 O GLU A 500 3.200 18.544 31.677 1.00 24.58 O ATOM 839 CB GLU A 500 2.476 15.531 31.748 1.00 26.27 C ATOM 840 CG GLU A 500 3.767 14.857 32.165 1.00 35.59 C ATOM 841 CD GLU A 500 4.260 13.869 31.128 1.00 46.02 C ATOM 842 OE1 GLU A 500 3.506 13.556 30.177 1.00 29.52 O ATOM 843 OE2 GLU A 500 5.412 13.403 31.270 1.00 40.36 O ATOM 844 H GLU A 500 0.488 16.872 31.095 1.00 0.00 H ATOM 845 N LEU A 501 3.940 17.846 33.683 1.00 21.73 N ATOM 846 CA LEU A 501 5.048 18.803 33.715 1.00 21.08 C ATOM 847 C LEU A 501 6.333 18.065 33.384 1.00 24.59 C ATOM 848 O LEU A 501 6.578 16.995 33.938 1.00 23.17 O ATOM 849 CB LEU A 501 5.196 19.458 35.094 1.00 20.84 C ATOM 850 CG LEU A 501 6.263 20.578 35.216 1.00 25.06 C ATOM 851 CD1 LEU A 501 5.847 21.848 34.465 1.00 23.84 C ATOM 852 CD2 LEU A 501 6.517 20.920 36.673 1.00 25.86 C ATOM 853 H LEU A 501 3.788 17.211 34.493 1.00 0.00 H ATOM 854 N CYS A 502 7.141 18.636 32.483 1.00 21.85 N ATOM 855 CA CYS A 502 8.477 18.139 32.139 1.00 23.07 C ATOM 856 C CYS A 502 9.372 19.072 32.942 1.00 27.11 C ATOM 857 O CYS A 502 9.546 20.237 32.562 1.00 27.44 O ATOM 858 CB CYS A 502 8.717 18.242 30.636 1.00 23.59 C ATOM 859 SG CYS A 502 7.660 17.137 29.662 1.00 27.79 S ATOM 860 H CYS A 502 6.799 19.488 31.995 1.00 0.00 H ATOM 861 N THR A 503 9.802 18.606 34.138 1.00 23.85 N ATOM 862 CA THR A 503 10.490 19.448 35.127 1.00 24.20 C ATOM 863 C THR A 503 11.792 20.103 34.684 1.00 27.03 C ATOM 864 O THR A 503 12.110 21.146 35.244 1.00 25.98 O ATOM 865 CB THR A 503 10.751 18.708 36.459 1.00 39.79 C ATOM 866 OG1 THR A 503 11.605 17.583 36.238 1.00 40.59 O ATOM 867 CG2 THR A 503 9.468 18.283 37.161 1.00 44.24 C ATOM 868 HG1 THR A 503 11.172 16.962 35.600 1.00 0.00 H ATOM 869 H THR A 503 9.638 17.605 34.368 1.00 0.00 H ATOM 870 N LEU A 504 12.555 19.526 33.727 1.00 24.41 N ATOM 871 CA LEU A 504 13.824 20.132 33.307 1.00 24.50 C ATOM 872 C LEU A 504 13.670 21.179 32.188 1.00 27.38 C ATOM 873 O LEU A 504 14.665 21.745 31.744 1.00 27.05 O ATOM 874 CB LEU A 504 14.857 19.048 32.946 1.00 25.07 C ATOM 875 CG LEU A 504 15.214 18.089 34.093 1.00 30.64 C ATOM 876 CD1 LEU A 504 16.281 17.101 33.670 1.00 30.50 C ATOM 877 CD2 LEU A 504 15.683 18.838 35.310 1.00 34.96 C ATOM 878 H LEU A 504 12.238 18.641 33.283 1.00 0.00 H ATOM 879 N GLY A 505 12.433 21.472 31.795 1.00 22.94 N ATOM 880 CA GLY A 505 12.116 22.551 30.890 1.00 21.89 C ATOM 881 C GLY A 505 12.373 22.313 29.423 1.00 24.52 C ATOM 882 O GLY A 505 12.308 21.183 28.936 1.00 22.68 O ATOM 883 H GLY A 505 11.651 20.891 32.160 1.00 0.00 H ATOM 884 N GLU A 506 12.636 23.409 28.720 1.00 20.90 N ATOM 885 CA GLU A 506 12.840 23.440 27.270 1.00 20.92 C ATOM 886 C GLU A 506 14.194 22.837 26.867 1.00 25.25 C ATOM 887 O GLU A 506 15.215 23.107 27.510 1.00 23.89 O ATOM 888 CB GLU A 506 12.726 24.889 26.779 1.00 22.46 C ATOM 889 CG GLU A 506 11.316 25.449 26.919 1.00 28.44 C ATOM 890 CD GLU A 506 11.275 26.952 27.092 1.00 45.06 C ATOM 891 OE1 GLU A 506 11.691 27.434 28.167 1.00 61.54 O ATOM 892 OE2 GLU A 506 10.831 27.650 26.156 1.00 40.42 O ATOM 893 H GLU A 506 12.702 24.309 29.236 1.00 0.00 H ATOM 894 N LEU A 507 14.187 22.028 25.792 1.00 21.30 N ATOM 895 CA LEU A 507 15.362 21.326 25.287 1.00 21.38 C ATOM 896 C LEU A 507 16.481 22.270 24.866 1.00 24.97 C ATOM 897 O LEU A 507 17.629 22.000 25.200 1.00 23.09 O ATOM 898 CB LEU A 507 14.982 20.390 24.122 1.00 21.71 C ATOM 899 CG LEU A 507 16.125 19.562 23.496 1.00 26.09 C ATOM 900 CD1 LEU A 507 16.658 18.523 24.461 1.00 24.82 C ATOM 901 CD2 LEU A 507 15.677 18.911 22.212 1.00 29.21 C ATOM 902 H LEU A 507 13.287 21.895 25.289 1.00 0.00 H ATOM 903 N ARG A 508 16.175 23.366 24.148 1.00 22.86 N ATOM 904 CA ARG A 508 17.242 24.279 23.701 1.00 23.32 C ATOM 905 C ARG A 508 18.101 24.804 24.859 1.00 27.89 C ATOM 906 O ARG A 508 19.322 24.666 24.812 1.00 27.29 O ATOM 907 CB ARG A 508 16.681 25.429 22.863 1.00 22.16 C ATOM 908 CG ARG A 508 16.166 24.953 21.499 1.00 26.97 C ATOM 909 CD ARG A 508 15.844 26.092 20.560 1.00 24.98 C ATOM 910 NE ARG A 508 17.046 26.872 20.277 1.00 25.89 N ATOM 911 CZ ARG A 508 17.296 28.117 20.677 1.00 30.25 C ATOM 912 NH1 ARG A 508 16.389 28.801 21.372 1.00 26.55 N ATOM 913 NH2 ARG A 508 18.452 28.694 20.379 1.00 20.79 N ATOM 914 HE ARG A 508 17.781 26.408 19.705 1.00 0.00 H ATOM 915 HH12 ARG A 508 16.594 29.773 21.680 1.00 0.00 H ATOM 916 HH11 ARG A 508 15.475 28.363 21.607 1.00 0.00 H ATOM 917 HH22 ARG A 508 18.644 29.667 20.693 1.00 0.00 H ATOM 918 HH21 ARG A 508 19.167 28.174 19.831 1.00 0.00 H ATOM 919 H ARG A 508 15.184 23.569 23.908 1.00 0.00 H ATOM 920 N SER A 509 17.464 25.345 25.911 1.00 24.70 N ATOM 921 CA SER A 509 18.160 25.841 27.103 1.00 24.48 C ATOM 922 C SER A 509 18.931 24.706 27.807 1.00 28.11 C ATOM 923 O SER A 509 20.060 24.903 28.253 1.00 27.72 O ATOM 924 CB SER A 509 17.155 26.447 28.082 1.00 28.08 C ATOM 925 OG SER A 509 17.806 26.984 29.219 1.00 41.30 O ATOM 926 HG SER A 509 18.305 26.265 29.683 1.00 0.00 H ATOM 927 H SER A 509 16.427 25.416 25.879 1.00 0.00 H ATOM 928 N PHE A 510 18.306 23.525 27.906 1.00 24.27 N ATOM 929 CA PHE A 510 18.899 22.349 28.540 1.00 22.94 C ATOM 930 C PHE A 510 20.194 21.946 27.824 1.00 23.66 C ATOM 931 O PHE A 510 21.201 21.715 28.471 1.00 22.92 O ATOM 932 CB PHE A 510 17.877 21.196 28.542 1.00 24.51 C ATOM 933 CG PHE A 510 18.389 19.883 29.076 1.00 26.67 C ATOM 934 CD1 PHE A 510 18.347 19.602 30.430 1.00 30.87 C ATOM 935 CD2 PHE A 510 18.838 18.894 28.211 1.00 29.36 C ATOM 936 CE1 PHE A 510 18.822 18.381 30.917 1.00 32.02 C ATOM 937 CE2 PHE A 510 19.282 17.667 28.700 1.00 32.08 C ATOM 938 CZ PHE A 510 19.297 17.426 30.052 1.00 30.45 C ATOM 939 H PHE A 510 17.348 23.441 27.511 1.00 0.00 H ATOM 940 N LEU A 511 20.173 21.896 26.491 1.00 19.80 N ATOM 941 CA LEU A 511 21.362 21.547 25.709 1.00 18.74 C ATOM 942 C LEU A 511 22.433 22.635 25.752 1.00 22.32 C ATOM 943 O LEU A 511 23.615 22.308 25.664 1.00 22.20 O ATOM 944 CB LEU A 511 20.978 21.310 24.249 1.00 18.41 C ATOM 945 CG LEU A 511 20.073 20.123 23.958 1.00 22.93 C ATOM 946 CD1 LEU A 511 19.660 20.150 22.507 1.00 22.71 C ATOM 947 CD2 LEU A 511 20.767 18.806 24.283 1.00 24.59 C ATOM 948 H LEU A 511 19.286 22.111 25.992 1.00 0.00 H ATOM 949 N GLN A 512 22.039 23.925 25.795 1.00 18.77 N ATOM 950 CA GLN A 512 23.020 25.029 25.845 1.00 19.58 C ATOM 951 C GLN A 512 23.762 24.988 27.167 1.00 26.03 C ATOM 952 O GLN A 512 24.990 25.029 27.198 1.00 26.93 O ATOM 953 CB GLN A 512 22.322 26.394 25.708 1.00 20.83 C ATOM 954 CG GLN A 512 21.822 26.675 24.277 1.00 30.75 C ATOM 955 CD GLN A 512 20.733 27.719 24.218 1.00 41.32 C ATOM 956 OE1 GLN A 512 20.419 28.382 25.207 1.00 38.67 O ATOM 957 NE2 GLN A 512 20.123 27.889 23.052 1.00 32.33 N ATOM 958 HE22 GLN A 512 20.405 27.318 22.230 1.00 0.00 H ATOM 959 HE21 GLN A 512 19.363 28.593 22.960 1.00 0.00 H ATOM 960 H GLN A 512 21.023 24.147 25.793 1.00 0.00 H ATOM 961 N VAL A 513 23.003 24.894 28.261 1.00 24.17 N ATOM 962 CA VAL A 513 23.550 24.831 29.617 1.00 25.17 C ATOM 963 C VAL A 513 24.477 23.613 29.781 1.00 28.45 C ATOM 964 O VAL A 513 25.539 23.727 30.394 1.00 27.82 O ATOM 965 CB VAL A 513 22.392 24.843 30.654 1.00 30.00 C ATOM 966 CG1 VAL A 513 22.855 24.373 32.038 1.00 30.50 C ATOM 967 CG2 VAL A 513 21.781 26.238 30.745 1.00 30.24 C ATOM 968 H VAL A 513 21.970 24.864 28.144 1.00 0.00 H ATOM 969 N ARG A 514 24.090 22.468 29.209 1.00 25.61 N ATOM 970 CA ARG A 514 24.859 21.219 29.317 1.00 25.56 C ATOM 971 C ARG A 514 25.704 20.907 28.070 1.00 28.82 C ATOM 972 O ARG A 514 26.061 19.746 27.859 1.00 27.54 O ATOM 973 CB ARG A 514 23.893 20.061 29.621 1.00 23.74 C ATOM 974 CG ARG A 514 23.149 20.253 30.948 1.00 33.02 C ATOM 975 CD ARG A 514 22.662 18.938 31.517 1.00 45.10 C ATOM 976 NE ARG A 514 23.776 18.045 31.851 1.00 55.14 N ATOM 977 CZ ARG A 514 23.650 16.766 32.194 1.00 68.52 C ATOM 978 NH1 ARG A 514 22.449 16.203 32.266 1.00 54.56 N ATOM 979 NH2 ARG A 514 24.726 16.036 32.463 1.00 57.97 N ATOM 980 HE ARG A 514 24.737 18.441 31.817 1.00 0.00 H ATOM 981 HH12 ARG A 514 22.359 15.202 32.535 1.00 0.00 H ATOM 982 HH11 ARG A 514 21.599 16.763 32.053 1.00 0.00 H ATOM 983 HH22 ARG A 514 24.623 15.036 32.731 1.00 0.00 H ATOM 984 HH21 ARG A 514 25.672 16.464 32.406 1.00 0.00 H ATOM 985 H ARG A 514 23.205 22.460 28.663 1.00 0.00 H ATOM 986 N LYS A 515 26.099 21.938 27.301 1.00 26.94 N ATOM 987 CA LYS A 515 26.899 21.775 26.076 1.00 27.80 C ATOM 988 C LYS A 515 28.164 20.939 26.281 1.00 32.53 C ATOM 989 O LYS A 515 28.502 20.134 25.415 1.00 32.63 O ATOM 990 CB LYS A 515 27.289 23.154 25.507 1.00 30.77 C ATOM 991 CG LYS A 515 28.150 23.084 24.251 1.00 33.39 C ATOM 992 CD LYS A 515 28.172 24.393 23.501 1.00 36.07 C ATOM 993 CE LYS A 515 29.054 24.304 22.276 1.00 36.62 C ATOM 994 NZ LYS A 515 29.254 25.637 21.666 1.00 29.94 N ATOM 995 HZ1 LYS A 515 28.333 26.030 21.386 1.00 0.00 H ATOM 996 HZ2 LYS A 515 29.706 26.269 22.357 1.00 0.00 H ATOM 997 HZ3 LYS A 515 29.863 25.546 20.828 1.00 0.00 H ATOM 998 H LYS A 515 25.825 22.900 27.587 1.00 0.00 H ATOM 999 N TYR A 516 28.851 21.134 27.417 1.00 29.14 N ATOM 1000 CA TYR A 516 30.105 20.447 27.730 1.00 28.68 C ATOM 1001 C TYR A 516 29.986 19.316 28.749 1.00 34.26 C ATOM 1002 O TYR A 516 31.006 18.741 29.103 1.00 34.41 O ATOM 1003 CB TYR A 516 31.145 21.481 28.187 1.00 28.61 C ATOM 1004 CG TYR A 516 31.324 22.564 27.148 1.00 28.44 C ATOM 1005 CD1 TYR A 516 32.080 22.335 26.003 1.00 29.50 C ATOM 1006 CD2 TYR A 516 30.620 23.757 27.232 1.00 28.52 C ATOM 1007 CE1 TYR A 516 32.172 23.289 24.994 1.00 30.27 C ATOM 1008 CE2 TYR A 516 30.705 24.720 26.229 1.00 29.51 C ATOM 1009 CZ TYR A 516 31.511 24.497 25.126 1.00 37.32 C ATOM 1010 OH TYR A 516 31.626 25.441 24.130 1.00 39.74 O ATOM 1011 HH TYR A 516 32.241 25.107 23.430 1.00 0.00 H ATOM 1012 H TYR A 516 28.472 21.809 28.112 1.00 0.00 H ATOM 1013 N SER A 517 28.767 18.989 29.218 1.00 31.99 N ATOM 1014 CA SER A 517 28.540 17.894 30.165 1.00 32.57 C ATOM 1015 C SER A 517 27.725 16.727 29.560 1.00 36.95 C ATOM 1016 O SER A 517 27.911 15.601 30.010 1.00 38.47 O ATOM 1017 CB SER A 517 27.865 18.414 31.428 1.00 37.06 C ATOM 1018 OG SER A 517 26.627 19.030 31.122 1.00 43.58 O ATOM 1019 HG SER A 517 26.208 19.359 31.957 1.00 0.00 H ATOM 1020 H SER A 517 27.947 19.540 28.893 1.00 0.00 H ATOM 1021 N LEU A 518 26.861 16.961 28.549 1.00 33.13 N ATOM 1022 CA LEU A 518 26.085 15.869 27.941 1.00 32.67 C ATOM 1023 C LEU A 518 26.924 15.062 26.959 1.00 37.02 C ATOM 1024 O LEU A 518 27.480 15.610 26.004 1.00 36.52 O ATOM 1025 CB LEU A 518 24.832 16.382 27.210 1.00 32.49 C ATOM 1026 CG LEU A 518 23.612 16.645 28.077 1.00 36.98 C ATOM 1027 CD1 LEU A 518 22.642 17.583 27.368 1.00 36.92 C ATOM 1028 CD2 LEU A 518 22.908 15.347 28.443 1.00 38.59 C ATOM 1029 H LEU A 518 26.742 17.931 28.194 1.00 0.00 H ATOM 1030 N ASP A 519 26.969 13.749 27.167 1.00 33.98 N ATOM 1031 CA ASP A 519 27.676 12.840 26.270 1.00 33.71 C ATOM 1032 C ASP A 519 26.905 12.694 24.944 1.00 35.90 C ATOM 1033 O ASP A 519 25.703 12.970 24.870 1.00 34.26 O ATOM 1034 CB ASP A 519 27.893 11.462 26.930 1.00 36.26 C ATOM 1035 CG ASP A 519 26.619 10.778 27.397 1.00 54.64 C ATOM 1036 OD1 ASP A 519 25.750 11.469 27.976 1.00 56.86 O ATOM 1037 OD2 ASP A 519 26.507 9.552 27.216 1.00 63.60 O ATOM 1038 H ASP A 519 26.483 13.356 27.998 1.00 0.00 H ATOM 1039 N LEU A 520 27.611 12.269 23.903 1.00 32.40 N ATOM 1040 CA LEU A 520 27.021 12.069 22.578 1.00 32.86 C ATOM 1041 C LEU A 520 25.885 11.007 22.604 1.00 34.72 C ATOM 1042 O LEU A 520 24.903 11.173 21.885 1.00 32.52 O ATOM 1043 CB LEU A 520 28.129 11.676 21.591 1.00 33.10 C ATOM 1044 CG LEU A 520 27.716 11.294 20.189 1.00 38.30 C ATOM 1045 CD1 LEU A 520 26.928 12.417 19.497 1.00 38.55 C ATOM 1046 CD2 LEU A 520 28.926 10.923 19.392 1.00 40.95 C ATOM 1047 H LEU A 520 28.623 12.070 24.034 1.00 0.00 H ATOM 1048 N ALA A 521 26.002 9.948 23.449 1.00 30.69 N ATOM 1049 CA ALA A 521 24.943 8.927 23.555 1.00 29.76 C ATOM 1050 C ALA A 521 23.621 9.546 24.032 1.00 30.52 C ATOM 1051 O ALA A 521 22.563 9.137 23.560 1.00 29.33 O ATOM 1052 CB ALA A 521 25.359 7.805 24.499 1.00 30.61 C ATOM 1053 H ALA A 521 26.857 9.856 24.034 1.00 0.00 H ATOM 1054 N SER A 522 23.672 10.537 24.946 1.00 25.82 N ATOM 1055 CA SER A 522 22.446 11.218 25.399 1.00 25.22 C ATOM 1056 C SER A 522 21.814 12.029 24.256 1.00 26.01 C ATOM 1057 O SER A 522 20.599 12.059 24.140 1.00 24.28 O ATOM 1058 CB SER A 522 22.721 12.128 26.591 1.00 28.07 C ATOM 1059 OG SER A 522 23.083 11.364 27.728 1.00 32.94 O ATOM 1060 HG SER A 522 23.900 10.842 27.527 1.00 0.00 H ATOM 1061 H SER A 522 24.591 10.825 25.337 1.00 0.00 H ATOM 1062 N LEU A 523 22.625 12.671 23.411 1.00 22.93 N ATOM 1063 CA LEU A 523 22.094 13.454 22.284 1.00 22.37 C ATOM 1064 C LEU A 523 21.422 12.530 21.262 1.00 25.50 C ATOM 1065 O LEU A 523 20.337 12.849 20.764 1.00 24.44 O ATOM 1066 CB LEU A 523 23.209 14.278 21.612 1.00 22.49 C ATOM 1067 CG LEU A 523 23.937 15.289 22.504 1.00 26.85 C ATOM 1068 CD1 LEU A 523 25.050 15.989 21.728 1.00 26.62 C ATOM 1069 CD2 LEU A 523 22.972 16.303 23.101 1.00 29.33 C ATOM 1070 H LEU A 523 23.654 12.616 23.553 1.00 0.00 H ATOM 1071 N ILE A 524 22.043 11.371 20.980 1.00 23.19 N ATOM 1072 CA ILE A 524 21.484 10.382 20.047 1.00 22.78 C ATOM 1073 C ILE A 524 20.210 9.795 20.664 1.00 24.92 C ATOM 1074 O ILE A 524 19.231 9.590 19.950 1.00 24.24 O ATOM 1075 CB ILE A 524 22.510 9.270 19.695 1.00 25.53 C ATOM 1076 CG1 ILE A 524 23.742 9.853 18.966 1.00 25.93 C ATOM 1077 CG2 ILE A 524 21.857 8.185 18.819 1.00 25.04 C ATOM 1078 CD1 ILE A 524 24.979 8.988 19.116 1.00 33.88 C ATOM 1079 H ILE A 524 22.953 11.167 21.439 1.00 0.00 H ATOM 1080 N LEU A 525 20.227 9.518 21.985 1.00 20.36 N ATOM 1081 CA LEU A 525 19.047 9.011 22.685 1.00 19.51 C ATOM 1082 C LEU A 525 17.874 9.969 22.488 1.00 21.55 C ATOM 1083 O LEU A 525 16.774 9.512 22.210 1.00 19.73 O ATOM 1084 CB LEU A 525 19.331 8.828 24.194 1.00 20.00 C ATOM 1085 CG LEU A 525 18.127 8.414 25.075 1.00 23.87 C ATOM 1086 CD1 LEU A 525 17.639 7.006 24.720 1.00 23.75 C ATOM 1087 CD2 LEU A 525 18.490 8.480 26.555 1.00 25.29 C ATOM 1088 H LEU A 525 21.105 9.670 22.521 1.00 0.00 H ATOM 1089 N TYR A 526 18.104 11.295 22.608 1.00 19.11 N ATOM 1090 CA TYR A 526 17.019 12.276 22.440 1.00 18.17 C ATOM 1091 C TYR A 526 16.474 12.249 21.031 1.00 22.34 C ATOM 1092 O TYR A 526 15.252 12.249 20.867 1.00 22.54 O ATOM 1093 CB TYR A 526 17.469 13.699 22.793 1.00 19.28 C ATOM 1094 CG TYR A 526 18.047 13.882 24.179 1.00 21.07 C ATOM 1095 CD1 TYR A 526 17.706 13.021 25.226 1.00 22.62 C ATOM 1096 CD2 TYR A 526 18.958 14.896 24.442 1.00 21.43 C ATOM 1097 CE1 TYR A 526 18.241 13.188 26.502 1.00 22.93 C ATOM 1098 CE2 TYR A 526 19.491 15.078 25.714 1.00 22.42 C ATOM 1099 CZ TYR A 526 19.125 14.229 26.743 1.00 28.88 C ATOM 1100 OH TYR A 526 19.690 14.424 27.975 1.00 31.26 O ATOM 1101 HH TYR A 526 19.339 13.749 28.608 1.00 0.00 H ATOM 1102 H TYR A 526 19.065 11.629 22.823 1.00 0.00 H ATOM 1103 N ALA A 527 17.353 12.160 20.014 1.00 18.41 N ATOM 1104 CA ALA A 527 16.882 12.070 18.621 1.00 18.61 C ATOM 1105 C ALA A 527 16.043 10.798 18.445 1.00 23.75 C ATOM 1106 O ALA A 527 14.957 10.858 17.861 1.00 23.65 O ATOM 1107 CB ALA A 527 18.062 12.043 17.658 1.00 18.84 C ATOM 1108 H ALA A 527 18.374 12.155 20.214 1.00 0.00 H ATOM 1109 N TYR A 528 16.539 9.659 18.967 1.00 21.83 N ATOM 1110 CA TYR A 528 15.831 8.377 18.880 1.00 22.99 C ATOM 1111 C TYR A 528 14.454 8.447 19.551 1.00 25.32 C ATOM 1112 O TYR A 528 13.476 8.046 18.934 1.00 22.75 O ATOM 1113 CB TYR A 528 16.657 7.224 19.498 1.00 23.96 C ATOM 1114 CG TYR A 528 15.856 5.944 19.626 1.00 25.71 C ATOM 1115 CD1 TYR A 528 15.515 5.200 18.502 1.00 28.15 C ATOM 1116 CD2 TYR A 528 15.309 5.562 20.847 1.00 25.89 C ATOM 1117 CE1 TYR A 528 14.722 4.058 18.601 1.00 29.26 C ATOM 1118 CE2 TYR A 528 14.508 4.427 20.960 1.00 26.72 C ATOM 1119 CZ TYR A 528 14.209 3.680 19.831 1.00 34.68 C ATOM 1120 OH TYR A 528 13.428 2.551 19.919 1.00 37.58 O ATOM 1121 HH TYR A 528 12.538 2.794 20.279 1.00 0.00 H ATOM 1122 H TYR A 528 17.459 9.690 19.450 1.00 0.00 H ATOM 1123 N GLN A 529 14.380 8.942 20.794 1.00 23.18 N ATOM 1124 CA GLN A 529 13.102 9.048 21.510 1.00 23.36 C ATOM 1125 C GLN A 529 12.092 9.893 20.722 1.00 25.31 C ATOM 1126 O GLN A 529 10.937 9.497 20.611 1.00 23.08 O ATOM 1127 CB GLN A 529 13.298 9.614 22.925 1.00 24.10 C ATOM 1128 CG GLN A 529 13.952 8.608 23.878 1.00 24.46 C ATOM 1129 CD GLN A 529 14.316 9.208 25.209 1.00 33.90 C ATOM 1130 OE1 GLN A 529 14.353 10.427 25.377 1.00 31.70 O ATOM 1131 NE2 GLN A 529 14.596 8.363 26.195 1.00 22.33 N ATOM 1132 HE22 GLN A 529 14.558 7.337 26.027 1.00 0.00 H ATOM 1133 HE21 GLN A 529 14.854 8.727 27.134 1.00 0.00 H ATOM 1134 H GLN A 529 15.251 9.260 21.265 1.00 0.00 H ATOM 1135 N LEU A 530 12.533 11.001 20.120 1.00 22.23 N ATOM 1136 CA LEU A 530 11.641 11.837 19.319 1.00 22.01 C ATOM 1137 C LEU A 530 11.163 11.102 18.059 1.00 24.70 C ATOM 1138 O LEU A 530 9.986 11.214 17.714 1.00 23.17 O ATOM 1139 CB LEU A 530 12.326 13.158 18.936 1.00 22.50 C ATOM 1140 CG LEU A 530 12.622 14.106 20.088 1.00 26.83 C ATOM 1141 CD1 LEU A 530 13.564 15.207 19.637 1.00 25.77 C ATOM 1142 CD2 LEU A 530 11.354 14.709 20.640 1.00 30.01 C ATOM 1143 H LEU A 530 13.531 11.274 20.223 1.00 0.00 H ATOM 1144 N SER A 531 12.039 10.298 17.419 1.00 20.79 N ATOM 1145 CA SER A 531 11.643 9.509 16.249 1.00 20.57 C ATOM 1146 C SER A 531 10.542 8.475 16.610 1.00 23.73 C ATOM 1147 O SER A 531 9.684 8.215 15.772 1.00 22.00 O ATOM 1148 CB SER A 531 12.849 8.824 15.594 1.00 21.75 C ATOM 1149 OG SER A 531 13.273 7.654 16.277 1.00 23.32 O ATOM 1150 HG SER A 531 13.531 7.889 17.203 1.00 0.00 H ATOM 1151 H SER A 531 13.018 10.237 17.765 1.00 0.00 H ATOM 1152 N THR A 532 10.548 7.923 17.855 1.00 22.93 N ATOM 1153 CA THR A 532 9.511 6.960 18.295 1.00 21.83 C ATOM 1154 C THR A 532 8.157 7.673 18.431 1.00 25.03 C ATOM 1155 O THR A 532 7.132 7.117 18.040 1.00 23.10 O ATOM 1156 CB THR A 532 9.863 6.204 19.603 1.00 24.99 C ATOM 1157 OG1 THR A 532 9.810 7.067 20.739 1.00 21.39 O ATOM 1158 CG2 THR A 532 11.199 5.465 19.547 1.00 23.80 C ATOM 1159 HG1 THR A 532 10.458 7.806 20.621 1.00 0.00 H ATOM 1160 H THR A 532 11.305 8.186 18.518 1.00 0.00 H ATOM 1161 N ALA A 533 8.159 8.906 18.974 1.00 22.48 N ATOM 1162 CA ALA A 533 6.941 9.711 19.105 1.00 21.38 C ATOM 1163 C ALA A 533 6.407 10.102 17.715 1.00 25.43 C ATOM 1164 O ALA A 533 5.195 10.100 17.506 1.00 24.30 O ATOM 1165 CB ALA A 533 7.224 10.965 19.919 1.00 21.37 C ATOM 1166 H ALA A 533 9.059 9.302 19.313 1.00 0.00 H ATOM 1167 N LEU A 534 7.300 10.438 16.769 1.00 21.95 N ATOM 1168 CA LEU A 534 6.873 10.827 15.422 1.00 21.87 C ATOM 1169 C LEU A 534 6.418 9.631 14.592 1.00 26.06 C ATOM 1170 O LEU A 534 5.460 9.769 13.829 1.00 26.35 O ATOM 1171 CB LEU A 534 7.963 11.631 14.717 1.00 21.77 C ATOM 1172 CG LEU A 534 8.333 12.948 15.427 1.00 25.44 C ATOM 1173 CD1 LEU A 534 9.648 13.501 14.902 1.00 26.05 C ATOM 1174 CD2 LEU A 534 7.246 13.998 15.270 1.00 23.58 C ATOM 1175 H LEU A 534 8.315 10.422 16.997 1.00 0.00 H ATOM 1176 N ALA A 535 7.047 8.452 14.763 1.00 22.33 N ATOM 1177 CA ALA A 535 6.596 7.235 14.071 1.00 22.40 C ATOM 1178 C ALA A 535 5.207 6.871 14.609 1.00 24.37 C ATOM 1179 O ALA A 535 4.336 6.485 13.844 1.00 22.81 O ATOM 1180 CB ALA A 535 7.566 6.088 14.321 1.00 23.33 C ATOM 1181 H ALA A 535 7.869 8.401 15.398 1.00 0.00 H ATOM 1182 N TYR A 536 4.996 7.059 15.927 1.00 21.43 N ATOM 1183 CA TYR A 536 3.708 6.816 16.558 1.00 21.73 C ATOM 1184 C TYR A 536 2.648 7.772 15.974 1.00 25.17 C ATOM 1185 O TYR A 536 1.600 7.299 15.547 1.00 24.21 O ATOM 1186 CB TYR A 536 3.821 6.932 18.101 1.00 22.77 C ATOM 1187 CG TYR A 536 2.493 7.058 18.808 1.00 25.43 C ATOM 1188 CD1 TYR A 536 1.711 5.938 19.072 1.00 27.58 C ATOM 1189 CD2 TYR A 536 2.001 8.303 19.188 1.00 26.13 C ATOM 1190 CE1 TYR A 536 0.481 6.052 19.718 1.00 29.16 C ATOM 1191 CE2 TYR A 536 0.761 8.433 19.801 1.00 26.80 C ATOM 1192 CZ TYR A 536 0.003 7.308 20.067 1.00 33.21 C ATOM 1193 OH TYR A 536 -1.199 7.472 20.717 1.00 29.52 O ATOM 1194 HH TYR A 536 -1.630 6.589 20.840 1.00 0.00 H ATOM 1195 H TYR A 536 5.786 7.391 16.516 1.00 0.00 H ATOM 1196 N LEU A 537 2.932 9.087 15.895 1.00 20.89 N ATOM 1197 CA LEU A 537 1.967 10.058 15.339 1.00 20.21 C ATOM 1198 C LEU A 537 1.641 9.780 13.870 1.00 26.06 C ATOM 1199 O LEU A 537 0.485 9.936 13.451 1.00 26.06 O ATOM 1200 CB LEU A 537 2.485 11.504 15.502 1.00 19.75 C ATOM 1201 CG LEU A 537 2.485 12.045 16.943 1.00 23.73 C ATOM 1202 CD1 LEU A 537 3.322 13.325 17.046 1.00 23.42 C ATOM 1203 CD2 LEU A 537 1.067 12.292 17.448 1.00 24.61 C ATOM 1204 H LEU A 537 3.854 9.427 16.234 1.00 0.00 H ATOM 1205 N GLU A 538 2.630 9.317 13.101 1.00 23.54 N ATOM 1206 CA GLU A 538 2.389 8.942 11.715 1.00 24.72 C ATOM 1207 C GLU A 538 1.442 7.730 11.661 1.00 28.30 C ATOM 1208 O GLU A 538 0.551 7.707 10.809 1.00 26.92 O ATOM 1209 CB GLU A 538 3.706 8.630 11.001 1.00 26.77 C ATOM 1210 CG GLU A 538 3.538 8.423 9.502 1.00 38.42 C ATOM 1211 CD GLU A 538 4.727 7.793 8.813 1.00 57.60 C ATOM 1212 OE1 GLU A 538 5.674 7.371 9.512 1.00 50.94 O ATOM 1213 OE2 GLU A 538 4.715 7.727 7.564 1.00 51.01 O ATOM 1214 H GLU A 538 3.587 9.223 13.498 1.00 0.00 H ATOM 1215 N SER A 539 1.581 6.764 12.597 1.00 25.84 N ATOM 1216 CA SER A 539 0.683 5.599 12.644 1.00 26.44 C ATOM 1217 C SER A 539 -0.761 6.027 12.999 1.00 30.86 C ATOM 1218 O SER A 539 -1.700 5.301 12.683 1.00 30.41 O ATOM 1219 CB SER A 539 1.196 4.532 13.614 1.00 29.64 C ATOM 1220 OG SER A 539 0.805 4.774 14.957 1.00 35.62 O ATOM 1221 HG SER A 539 1.164 5.648 15.252 1.00 0.00 H ATOM 1222 H SER A 539 2.342 6.846 13.301 1.00 0.00 H ATOM 1223 N LYS A 540 -0.927 7.206 13.646 1.00 27.82 N ATOM 1224 CA LYS A 540 -2.230 7.794 13.961 1.00 27.44 C ATOM 1225 C LYS A 540 -2.688 8.801 12.877 1.00 31.82 C ATOM 1226 O LYS A 540 -3.728 9.437 13.054 1.00 30.80 O ATOM 1227 CB LYS A 540 -2.188 8.468 15.348 1.00 29.12 C ATOM 1228 CG LYS A 540 -1.773 7.526 16.499 1.00 36.06 C ATOM 1229 CD LYS A 540 -2.734 6.349 16.714 1.00 48.47 C ATOM 1230 CE LYS A 540 -2.177 5.297 17.638 1.00 64.53 C ATOM 1231 NZ LYS A 540 -2.989 4.051 17.598 1.00 73.95 N ATOM 1232 HZ1 LYS A 540 -3.964 4.264 17.891 1.00 0.00 H ATOM 1233 HZ2 LYS A 540 -2.992 3.671 16.630 1.00 0.00 H ATOM 1234 HZ3 LYS A 540 -2.577 3.349 18.246 1.00 0.00 H ATOM 1235 H LYS A 540 -0.075 7.726 13.937 1.00 0.00 H ATOM 1236 N ARG A 541 -1.940 8.908 11.739 1.00 28.63 N ATOM 1237 CA ARG A 541 -2.240 9.794 10.614 1.00 28.15 C ATOM 1238 C ARG A 541 -2.269 11.281 11.043 1.00 30.43 C ATOM 1239 O ARG A 541 -3.071 12.060 10.526 1.00 30.01 O ATOM 1240 CB ARG A 541 -3.557 9.370 9.940 1.00 29.09 C ATOM 1241 CG ARG A 541 -3.696 7.856 9.696 1.00 40.09 C ATOM 1242 CD ARG A 541 -5.091 7.485 9.226 1.00 47.41 C ATOM 1243 NE ARG A 541 -5.306 7.882 7.833 1.00 55.59 N ATOM 1244 CZ ARG A 541 -6.441 8.358 7.311 1.00 72.65 C ATOM 1245 NH1 ARG A 541 -7.520 8.526 8.074 1.00 66.86 N ATOM 1246 NH2 ARG A 541 -6.502 8.680 6.025 1.00 51.57 N ATOM 1247 HE ARG A 541 -4.497 7.784 7.187 1.00 0.00 H ATOM 1248 HH12 ARG A 541 -8.398 8.897 7.658 1.00 0.00 H ATOM 1249 HH11 ARG A 541 -7.484 8.286 9.085 1.00 0.00 H ATOM 1250 HH22 ARG A 541 -7.387 9.050 5.623 1.00 0.00 H ATOM 1251 HH21 ARG A 541 -5.665 8.562 5.419 1.00 0.00 H ATOM 1252 H ARG A 541 -1.090 8.313 11.667 1.00 0.00 H ATOM 1253 N PHE A 542 -1.379 11.668 11.980 1.00 24.71 N ATOM 1254 CA PHE A 542 -1.300 13.036 12.476 1.00 23.89 C ATOM 1255 C PHE A 542 -0.040 13.686 11.897 1.00 26.86 C ATOM 1256 O PHE A 542 1.063 13.163 12.076 1.00 25.81 O ATOM 1257 CB PHE A 542 -1.286 13.062 14.022 1.00 25.19 C ATOM 1258 CG PHE A 542 -1.295 14.456 14.608 1.00 26.68 C ATOM 1259 CD1 PHE A 542 -2.472 15.181 14.697 1.00 29.60 C ATOM 1260 CD2 PHE A 542 -0.109 15.082 14.971 1.00 29.14 C ATOM 1261 CE1 PHE A 542 -2.472 16.486 15.198 1.00 30.81 C ATOM 1262 CE2 PHE A 542 -0.111 16.387 15.467 1.00 31.38 C ATOM 1263 CZ PHE A 542 -1.290 17.088 15.557 1.00 29.61 C ATOM 1264 H PHE A 542 -0.721 10.960 12.365 1.00 0.00 H ATOM 1265 N VAL A 543 -0.219 14.807 11.175 1.00 22.67 N ATOM 1266 CA VAL A 543 0.872 15.584 10.585 1.00 22.09 C ATOM 1267 C VAL A 543 1.110 16.749 11.543 1.00 25.13 C ATOM 1268 O VAL A 543 0.219 17.571 11.735 1.00 24.06 O ATOM 1269 CB VAL A 543 0.502 16.046 9.153 1.00 25.66 C ATOM 1270 CG1 VAL A 543 1.612 16.904 8.550 1.00 25.28 C ATOM 1271 CG2 VAL A 543 0.206 14.840 8.268 1.00 25.18 C ATOM 1272 H VAL A 543 -1.192 15.142 11.027 1.00 0.00 H ATOM 1273 N HIS A 544 2.281 16.785 12.187 1.00 22.97 N ATOM 1274 CA HIS A 544 2.584 17.779 13.218 1.00 23.24 C ATOM 1275 C HIS A 544 2.769 19.209 12.704 1.00 26.52 C ATOM 1276 O HIS A 544 2.185 20.124 13.280 1.00 25.13 O ATOM 1277 CB HIS A 544 3.807 17.327 14.021 1.00 24.28 C ATOM 1278 CG HIS A 544 4.002 18.064 15.304 1.00 27.95 C ATOM 1279 ND1 HIS A 544 4.540 19.340 15.327 1.00 29.48 N ATOM 1280 CD2 HIS A 544 3.798 17.650 16.577 1.00 29.88 C ATOM 1281 CE1 HIS A 544 4.621 19.671 16.607 1.00 29.26 C ATOM 1282 NE2 HIS A 544 4.190 18.684 17.392 1.00 29.70 N ATOM 1283 H HIS A 544 3.005 16.079 11.946 1.00 0.00 H ATOM 1284 N ARG A 545 3.628 19.409 11.686 1.00 24.25 N ATOM 1285 CA ARG A 545 3.954 20.716 11.077 1.00 24.40 C ATOM 1286 C ARG A 545 4.863 21.641 11.896 1.00 27.73 C ATOM 1287 O ARG A 545 5.250 22.680 11.364 1.00 27.00 O ATOM 1288 CB ARG A 545 2.703 21.537 10.698 1.00 23.44 C ATOM 1289 CG ARG A 545 1.651 20.811 9.888 1.00 31.30 C ATOM 1290 CD ARG A 545 0.653 21.823 9.382 1.00 36.62 C ATOM 1291 NE ARG A 545 -0.335 21.242 8.481 1.00 45.38 N ATOM 1292 CZ ARG A 545 -1.209 21.945 7.762 1.00 56.03 C ATOM 1293 NH1 ARG A 545 -1.221 23.274 7.825 1.00 42.75 N ATOM 1294 NH2 ARG A 545 -2.071 21.326 6.965 1.00 44.47 N ATOM 1295 HE ARG A 545 -0.359 20.206 8.393 1.00 0.00 H ATOM 1296 HH12 ARG A 545 -1.907 23.815 7.260 1.00 0.00 H ATOM 1297 HH11 ARG A 545 -0.545 23.772 8.439 1.00 0.00 H ATOM 1298 HH22 ARG A 545 -2.751 21.879 6.406 1.00 0.00 H ATOM 1299 HH21 ARG A 545 -2.066 20.288 6.900 1.00 0.00 H ATOM 1300 H ARG A 545 4.103 18.571 11.294 1.00 0.00 H ATOM 1301 N ASP A 546 5.184 21.326 13.162 1.00 25.06 N ATOM 1302 CA ASP A 546 5.995 22.222 13.987 1.00 25.44 C ATOM 1303 C ASP A 546 7.094 21.457 14.719 1.00 26.82 C ATOM 1304 O ASP A 546 7.266 21.631 15.924 1.00 26.25 O ATOM 1305 CB ASP A 546 5.085 22.988 14.975 1.00 28.33 C ATOM 1306 CG ASP A 546 4.257 24.063 14.308 1.00 41.24 C ATOM 1307 OD1 ASP A 546 4.820 25.139 14.000 1.00 42.10 O ATOM 1308 OD2 ASP A 546 3.044 23.834 14.100 1.00 45.89 O ATOM 1309 H ASP A 546 4.849 20.427 13.564 1.00 0.00 H ATOM 1310 N ILE A 547 7.831 20.597 13.999 1.00 21.83 N ATOM 1311 CA ILE A 547 8.912 19.827 14.614 1.00 21.23 C ATOM 1312 C ILE A 547 10.146 20.720 14.671 1.00 23.57 C ATOM 1313 O ILE A 547 10.676 21.118 13.643 1.00 23.58 O ATOM 1314 CB ILE A 547 9.182 18.483 13.882 1.00 24.27 C ATOM 1315 CG1 ILE A 547 7.896 17.616 13.781 1.00 25.39 C ATOM 1316 CG2 ILE A 547 10.324 17.707 14.558 1.00 22.95 C ATOM 1317 CD1 ILE A 547 7.243 17.340 15.091 1.00 35.43 C ATOM 1318 H ILE A 547 7.630 20.476 12.986 1.00 0.00 H ATOM 1319 N ALA A 548 10.588 21.044 15.883 1.00 19.08 N ATOM 1320 CA ALA A 548 11.711 21.941 16.097 1.00 18.45 C ATOM 1321 C ALA A 548 12.146 21.790 17.541 1.00 22.53 C ATOM 1322 O ALA A 548 11.313 21.429 18.384 1.00 20.33 O ATOM 1323 CB ALA A 548 11.273 23.383 15.832 1.00 18.90 C ATOM 1324 H ALA A 548 10.110 20.638 16.713 1.00 0.00 H ATOM 1325 N ALA A 549 13.424 22.056 17.838 1.00 19.66 N ATOM 1326 CA ALA A 549 13.948 21.917 19.204 1.00 19.28 C ATOM 1327 C ALA A 549 13.191 22.789 20.238 1.00 23.74 C ATOM 1328 O ALA A 549 13.055 22.372 21.384 1.00 22.80 O ATOM 1329 CB ALA A 549 15.438 22.234 19.229 1.00 19.84 C ATOM 1330 H ALA A 549 14.064 22.370 17.081 1.00 0.00 H ATOM 1331 N ARG A 550 12.681 23.974 19.838 1.00 21.67 N ATOM 1332 CA ARG A 550 11.908 24.839 20.744 1.00 22.44 C ATOM 1333 C ARG A 550 10.616 24.166 21.284 1.00 25.64 C ATOM 1334 O ARG A 550 10.123 24.541 22.350 1.00 25.11 O ATOM 1335 CB ARG A 550 11.580 26.203 20.102 1.00 26.26 C ATOM 1336 CG ARG A 550 10.698 26.158 18.850 1.00 38.29 C ATOM 1337 CD ARG A 550 9.831 27.397 18.701 1.00 53.11 C ATOM 1338 NE ARG A 550 8.713 27.388 19.650 1.00 66.99 N ATOM 1339 CZ ARG A 550 7.618 28.147 19.568 1.00 80.44 C ATOM 1340 NH1 ARG A 550 7.467 29.011 18.566 1.00 67.92 N ATOM 1341 NH2 ARG A 550 6.659 28.039 20.482 1.00 62.23 N ATOM 1342 HE ARG A 550 8.779 26.734 20.456 1.00 0.00 H ATOM 1343 HH12 ARG A 550 6.610 29.598 18.510 1.00 0.00 H ATOM 1344 HH11 ARG A 550 8.206 29.099 17.839 1.00 0.00 H ATOM 1345 HH22 ARG A 550 5.807 28.632 20.415 1.00 0.00 H ATOM 1346 HH21 ARG A 550 6.760 27.361 21.264 1.00 0.00 H ATOM 1347 H ARG A 550 12.840 24.285 18.858 1.00 0.00 H ATOM 1348 N ASN A 551 10.090 23.175 20.563 1.00 21.52 N ATOM 1349 CA ASN A 551 8.874 22.462 20.961 1.00 21.51 C ATOM 1350 C ASN A 551 9.123 21.127 21.672 1.00 24.75 C ATOM 1351 O ASN A 551 8.168 20.390 21.931 1.00 24.67 O ATOM 1352 CB ASN A 551 7.994 22.278 19.712 1.00 19.23 C ATOM 1353 CG ASN A 551 7.606 23.592 19.055 1.00 31.59 C ATOM 1354 OD1 ASN A 551 7.523 23.727 17.822 1.00 25.28 O ATOM 1355 ND2 ASN A 551 7.344 24.604 19.835 1.00 18.95 N ATOM 1356 HD22 ASN A 551 7.412 24.496 20.867 1.00 0.00 H ATOM 1357 HD21 ASN A 551 7.067 25.519 19.425 1.00 0.00 H ATOM 1358 H ASN A 551 10.564 22.896 19.680 1.00 0.00 H ATOM 1359 N VAL A 552 10.375 20.853 22.069 1.00 20.94 N ATOM 1360 CA VAL A 552 10.728 19.616 22.770 1.00 19.24 C ATOM 1361 C VAL A 552 11.014 19.969 24.228 1.00 21.80 C ATOM 1362 O VAL A 552 11.670 20.976 24.497 1.00 19.56 O ATOM 1363 CB VAL A 552 11.937 18.929 22.091 1.00 22.40 C ATOM 1364 CG1 VAL A 552 12.329 17.661 22.836 1.00 21.83 C ATOM 1365 CG2 VAL A 552 11.625 18.613 20.625 1.00 22.34 C ATOM 1366 H VAL A 552 11.125 21.546 21.871 1.00 0.00 H ATOM 1367 N LEU A 553 10.514 19.153 25.160 1.00 19.04 N ATOM 1368 CA LEU A 553 10.711 19.381 26.598 1.00 19.54 C ATOM 1369 C LEU A 553 11.549 18.260 27.188 1.00 23.64 C ATOM 1370 O LEU A 553 11.607 17.175 26.620 1.00 22.46 O ATOM 1371 CB LEU A 553 9.364 19.468 27.323 1.00 19.54 C ATOM 1372 CG LEU A 553 8.358 20.474 26.729 1.00 23.45 C ATOM 1373 CD1 LEU A 553 6.989 20.259 27.323 1.00 22.70 C ATOM 1374 CD2 LEU A 553 8.825 21.910 26.960 1.00 24.54 C ATOM 1375 H LEU A 553 9.964 18.324 24.856 1.00 0.00 H ATOM 1376 N VAL A 554 12.169 18.516 28.352 1.00 21.90 N ATOM 1377 CA VAL A 554 13.034 17.556 29.010 1.00 21.40 C ATOM 1378 C VAL A 554 12.366 17.106 30.300 1.00 26.12 C ATOM 1379 O VAL A 554 12.203 17.907 31.223 1.00 24.61 O ATOM 1380 CB VAL A 554 14.430 18.175 29.251 1.00 24.59 C ATOM 1381 CG1 VAL A 554 15.408 17.115 29.765 1.00 23.30 C ATOM 1382 CG2 VAL A 554 14.958 18.827 27.970 1.00 24.46 C ATOM 1383 H VAL A 554 12.022 19.443 28.801 1.00 0.00 H ATOM 1384 N SER A 555 11.947 15.833 30.341 1.00 22.44 N ATOM 1385 CA SER A 555 11.296 15.233 31.509 1.00 22.51 C ATOM 1386 C SER A 555 12.362 14.846 32.544 1.00 28.29 C ATOM 1387 O SER A 555 12.153 15.006 33.737 1.00 28.58 O ATOM 1388 CB SER A 555 10.504 14.003 31.074 1.00 24.38 C ATOM 1389 OG SER A 555 9.649 13.522 32.093 1.00 39.82 O ATOM 1390 HG SER A 555 9.003 14.230 32.341 1.00 0.00 H ATOM 1391 H SER A 555 12.092 15.240 29.499 1.00 0.00 H ATOM 1392 N SER A 556 13.501 14.330 32.080 1.00 26.33 N ATOM 1393 CA SER A 556 14.627 13.943 32.927 1.00 26.63 C ATOM 1394 C SER A 556 15.884 13.884 32.053 1.00 31.42 C ATOM 1395 O SER A 556 15.782 14.102 30.844 1.00 30.13 O ATOM 1396 CB SER A 556 14.361 12.577 33.572 1.00 30.26 C ATOM 1397 OG SER A 556 14.408 11.521 32.625 1.00 34.30 O ATOM 1398 HG SER A 556 15.304 11.495 32.205 1.00 0.00 H ATOM 1399 H SER A 556 13.593 14.195 31.053 1.00 0.00 H ATOM 1400 N ASN A 557 17.052 13.565 32.647 1.00 29.89 N ATOM 1401 CA ASN A 557 18.320 13.455 31.905 1.00 30.27 C ATOM 1402 C ASN A 557 18.258 12.416 30.781 1.00 34.10 C ATOM 1403 O ASN A 557 18.970 12.585 29.796 1.00 33.61 O ATOM 1404 CB ASN A 557 19.501 13.086 32.840 1.00 30.78 C ATOM 1405 CG ASN A 557 20.014 14.146 33.796 1.00 57.88 C ATOM 1406 OD1 ASN A 557 20.629 13.808 34.815 1.00 60.53 O ATOM 1407 ND2 ASN A 557 19.848 15.440 33.532 1.00 43.33 N ATOM 1408 HD22 ASN A 557 19.333 15.735 32.678 1.00 0.00 H ATOM 1409 HD21 ASN A 557 20.234 16.157 34.180 1.00 0.00 H ATOM 1410 H ASN A 557 17.058 13.389 33.672 1.00 0.00 H ATOM 1411 N ASP A 558 17.451 11.347 30.929 1.00 31.05 N ATOM 1412 CA ASP A 558 17.324 10.290 29.916 1.00 31.87 C ATOM 1413 C ASP A 558 15.921 10.256 29.266 1.00 33.55 C ATOM 1414 O ASP A 558 15.543 9.213 28.732 1.00 33.12 O ATOM 1415 CB ASP A 558 17.684 8.905 30.526 1.00 34.41 C ATOM 1416 CG ASP A 558 16.706 8.363 31.555 1.00 51.06 C ATOM 1417 OD1 ASP A 558 15.952 9.170 32.144 1.00 51.63 O ATOM 1418 OD2 ASP A 558 16.703 7.129 31.777 1.00 61.60 O ATOM 1419 H ASP A 558 16.891 11.266 31.802 1.00 0.00 H ATOM 1420 N CYS A 559 15.160 11.380 29.280 1.00 28.68 N ATOM 1421 CA CYS A 559 13.816 11.399 28.684 1.00 27.76 C ATOM 1422 C CYS A 559 13.410 12.782 28.160 1.00 27.50 C ATOM 1423 O CYS A 559 13.303 13.728 28.935 1.00 26.35 O ATOM 1424 CB CYS A 559 12.777 10.857 29.662 1.00 28.21 C ATOM 1425 SG CYS A 559 11.102 10.737 28.971 1.00 32.28 S ATOM 1426 H CYS A 559 15.535 12.244 29.721 1.00 0.00 H ATOM 1427 N VAL A 560 13.136 12.874 26.852 1.00 22.06 N ATOM 1428 CA VAL A 560 12.635 14.094 26.222 1.00 21.56 C ATOM 1429 C VAL A 560 11.251 13.762 25.683 1.00 25.61 C ATOM 1430 O VAL A 560 10.967 12.593 25.404 1.00 25.12 O ATOM 1431 CB VAL A 560 13.553 14.678 25.110 1.00 24.96 C ATOM 1432 CG1 VAL A 560 14.896 15.135 25.688 1.00 23.94 C ATOM 1433 CG2 VAL A 560 13.754 13.698 23.943 1.00 24.46 C ATOM 1434 H VAL A 560 13.287 12.036 26.255 1.00 0.00 H ATOM 1435 N LYS A 561 10.390 14.777 25.551 1.00 22.31 N ATOM 1436 CA LYS A 561 9.035 14.594 25.025 1.00 21.79 C ATOM 1437 C LYS A 561 8.649 15.728 24.105 1.00 24.14 C ATOM 1438 O LYS A 561 9.074 16.866 24.298 1.00 22.06 O ATOM 1439 CB LYS A 561 7.986 14.538 26.159 1.00 23.53 C ATOM 1440 CG LYS A 561 8.366 13.638 27.329 1.00 27.57 C ATOM 1441 CD LYS A 561 7.157 13.114 28.093 1.00 26.32 C ATOM 1442 CE LYS A 561 7.607 12.242 29.257 1.00 27.50 C ATOM 1443 NZ LYS A 561 6.519 11.388 29.804 1.00 34.43 N ATOM 1444 HZ1 LYS A 561 5.744 11.992 30.144 1.00 0.00 H ATOM 1445 HZ2 LYS A 561 6.166 10.757 29.056 1.00 0.00 H ATOM 1446 HZ3 LYS A 561 6.889 10.820 30.592 1.00 0.00 H ATOM 1447 H LYS A 561 10.694 15.731 25.832 1.00 0.00 H ATOM 1448 N LEU A 562 7.767 15.425 23.154 1.00 22.21 N ATOM 1449 CA LEU A 562 7.174 16.437 22.277 1.00 22.67 C ATOM 1450 C LEU A 562 6.272 17.254 23.214 1.00 22.68 C ATOM 1451 O LEU A 562 5.521 16.665 23.981 1.00 20.77 O ATOM 1452 CB LEU A 562 6.280 15.765 21.189 1.00 23.54 C ATOM 1453 CG LEU A 562 6.673 15.815 19.702 1.00 30.55 C ATOM 1454 CD1 LEU A 562 8.164 16.028 19.483 1.00 30.13 C ATOM 1455 CD2 LEU A 562 6.199 14.567 18.990 1.00 30.18 C ATOM 1456 H LEU A 562 7.489 14.431 23.029 1.00 0.00 H ATOM 1457 N GLY A 563 6.359 18.574 23.152 1.00 19.64 N ATOM 1458 CA GLY A 563 5.532 19.455 23.965 1.00 19.86 C ATOM 1459 C GLY A 563 4.089 19.513 23.489 1.00 24.28 C ATOM 1460 O GLY A 563 3.714 18.839 22.525 1.00 24.18 O ATOM 1461 H GLY A 563 7.046 18.999 22.496 1.00 0.00 H ATOM 1462 N ASP A 564 3.272 20.343 24.149 1.00 19.38 N ATOM 1463 CA ASP A 564 1.859 20.499 23.795 1.00 19.48 C ATOM 1464 C ASP A 564 1.733 20.972 22.343 1.00 23.13 C ATOM 1465 O ASP A 564 2.513 21.817 21.918 1.00 22.85 O ATOM 1466 CB ASP A 564 1.170 21.477 24.752 1.00 20.17 C ATOM 1467 CG ASP A 564 -0.273 21.687 24.377 1.00 25.68 C ATOM 1468 OD1 ASP A 564 -1.056 20.732 24.495 1.00 25.96 O ATOM 1469 OD2 ASP A 564 -0.605 22.786 23.899 1.00 25.04 O ATOM 1470 H ASP A 564 3.654 20.897 24.942 1.00 0.00 H ATOM 1471 N PHE A 565 0.819 20.383 21.563 1.00 21.57 N ATOM 1472 CA PHE A 565 0.703 20.737 20.138 1.00 21.09 C ATOM 1473 C PHE A 565 0.147 22.141 19.936 1.00 25.92 C ATOM 1474 O PHE A 565 0.585 22.805 19.013 1.00 25.38 O ATOM 1475 CB PHE A 565 -0.071 19.675 19.342 1.00 22.17 C ATOM 1476 CG PHE A 565 0.537 18.280 19.349 1.00 22.96 C ATOM 1477 CD1 PHE A 565 1.829 18.057 19.827 1.00 24.87 C ATOM 1478 CD2 PHE A 565 -0.206 17.182 18.941 1.00 24.50 C ATOM 1479 CE1 PHE A 565 2.367 16.773 19.849 1.00 25.13 C ATOM 1480 CE2 PHE A 565 0.351 15.903 18.946 1.00 25.99 C ATOM 1481 CZ PHE A 565 1.627 15.709 19.402 1.00 23.62 C ATOM 1482 H PHE A 565 0.183 19.667 21.968 1.00 0.00 H ATOM 1483 N GLY A 566 -0.666 22.636 20.866 1.00 23.18 N ATOM 1484 CA GLY A 566 -1.139 24.013 20.838 1.00 22.72 C ATOM 1485 C GLY A 566 -0.023 25.007 21.112 1.00 27.19 C ATOM 1486 O GLY A 566 0.122 25.998 20.391 1.00 27.27 O ATOM 1487 H GLY A 566 -0.975 22.016 21.642 1.00 0.00 H ATOM 1488 N LEU A 567 0.816 24.722 22.126 1.00 23.74 N ATOM 1489 CA LEU A 567 1.954 25.584 22.447 1.00 23.74 C ATOM 1490 C LEU A 567 3.039 25.478 21.368 1.00 29.10 C ATOM 1491 O LEU A 567 3.823 26.410 21.210 1.00 27.95 O ATOM 1492 CB LEU A 567 2.538 25.243 23.827 1.00 22.96 C ATOM 1493 CG LEU A 567 1.576 25.402 25.016 1.00 26.21 C ATOM 1494 CD1 LEU A 567 2.232 24.937 26.310 1.00 25.05 C ATOM 1495 CD2 LEU A 567 1.120 26.850 25.166 1.00 27.32 C ATOM 1496 H LEU A 567 0.651 23.868 22.695 1.00 0.00 H ATOM 1497 N SER A 568 3.068 24.372 20.604 1.00 27.21 N ATOM 1498 CA SER A 568 4.065 24.205 19.546 1.00 27.08 C ATOM 1499 C SER A 568 3.835 25.069 18.280 1.00 31.72 C ATOM 1500 O SER A 568 4.781 25.245 17.510 1.00 30.73 O ATOM 1501 CB SER A 568 4.202 22.732 19.166 1.00 28.73 C ATOM 1502 OG SER A 568 4.699 21.993 20.271 1.00 28.23 O ATOM 1503 HG SER A 568 4.785 21.040 20.017 1.00 0.00 H ATOM 1504 H SER A 568 2.368 23.620 20.768 1.00 0.00 H ATOM 1505 N ARG A 569 2.619 25.622 18.066 1.00 29.14 N ATOM 1506 CA ARG A 569 2.341 26.467 16.883 1.00 47.27 C ATOM 1507 C ARG A 569 2.990 27.850 17.026 1.00 76.38 C ATOM 1508 O ARG A 569 3.274 28.297 18.136 1.00 42.98 O ATOM 1509 CB ARG A 569 0.823 26.627 16.613 1.00 47.19 C ATOM 1510 CG ARG A 569 0.193 25.502 15.778 1.00 55.20 C ATOM 1511 CD ARG A 569 -0.088 24.303 16.641 1.00 64.10 C ATOM 1512 NE ARG A 569 -0.622 23.136 15.928 1.00 71.17 N ATOM 1513 CZ ARG A 569 0.092 22.116 15.443 1.00 84.92 C ATOM 1514 NH1 ARG A 569 1.420 22.111 15.543 1.00 67.26 N ATOM 1515 NH2 ARG A 569 -0.516 21.101 14.838 1.00 71.38 N ATOM 1516 HE ARG A 569 -1.652 23.100 15.787 1.00 0.00 H ATOM 1517 HH12 ARG A 569 1.967 21.313 15.162 1.00 0.00 H ATOM 1518 HH11 ARG A 569 1.910 22.905 16.002 1.00 0.00 H ATOM 1519 HH22 ARG A 569 0.044 20.309 14.462 1.00 0.00 H ATOM 1520 HH21 ARG A 569 -1.551 21.099 14.741 1.00 0.00 H ATOM 1521 H ARG A 569 1.857 25.448 18.753 1.00 0.00 H TER 1522 ARG A 569 ATOM 1523 N LEU A 584 5.798 32.293 10.335 1.00 41.14 N ATOM 1524 CA LEU A 584 5.988 30.926 9.850 1.00 40.15 C ATOM 1525 C LEU A 584 7.416 30.465 10.169 1.00 39.76 C ATOM 1526 O LEU A 584 8.350 31.245 9.987 1.00 39.66 O ATOM 1527 CB LEU A 584 5.734 30.868 8.314 1.00 40.25 C ATOM 1528 CG LEU A 584 4.527 30.050 7.763 1.00 44.97 C ATOM 1529 CD1 LEU A 584 3.417 29.832 8.797 1.00 45.01 C ATOM 1530 CD2 LEU A 584 3.970 30.698 6.502 1.00 46.72 C ATOM 1531 HN3 LEU A 584 6.480 32.924 9.867 1.00 0.00 H ATOM 1532 HN2 LEU A 584 5.950 32.319 11.364 1.00 0.00 H ATOM 1533 HN1 LEU A 584 4.830 32.605 10.118 1.00 0.00 H ATOM 1534 N PRO A 585 7.623 29.199 10.590 1.00 32.64 N ATOM 1535 CA PRO A 585 8.987 28.736 10.883 1.00 31.26 C ATOM 1536 C PRO A 585 9.675 28.274 9.595 1.00 31.44 C ATOM 1537 O PRO A 585 9.991 27.096 9.438 1.00 29.43 O ATOM 1538 CB PRO A 585 8.731 27.592 11.864 1.00 33.08 C ATOM 1539 CG PRO A 585 7.468 26.971 11.347 1.00 37.93 C ATOM 1540 CD PRO A 585 6.634 28.127 10.839 1.00 33.52 C ATOM 1541 N ILE A 586 9.934 29.221 8.687 1.00 26.92 N ATOM 1542 CA ILE A 586 10.517 28.966 7.360 1.00 26.72 C ATOM 1543 C ILE A 586 11.826 28.169 7.445 1.00 28.29 C ATOM 1544 O ILE A 586 12.034 27.261 6.642 1.00 26.54 O ATOM 1545 CB ILE A 586 10.721 30.314 6.577 1.00 30.04 C ATOM 1546 CG1 ILE A 586 9.372 31.066 6.335 1.00 30.56 C ATOM 1547 CG2 ILE A 586 11.437 30.088 5.239 1.00 30.74 C ATOM 1548 CD1 ILE A 586 8.317 30.322 5.467 1.00 30.05 C ATOM 1549 H ILE A 586 9.708 30.205 8.936 1.00 0.00 H ATOM 1550 N LYS A 587 12.683 28.484 8.432 1.00 24.52 N ATOM 1551 CA LYS A 587 13.994 27.835 8.584 1.00 22.78 C ATOM 1552 C LYS A 587 13.919 26.343 8.934 1.00 24.69 C ATOM 1553 O LYS A 587 14.911 25.647 8.766 1.00 23.76 O ATOM 1554 CB LYS A 587 14.862 28.603 9.583 1.00 23.44 C ATOM 1555 CG LYS A 587 15.291 29.951 9.031 1.00 24.77 C ATOM 1556 CD LYS A 587 15.877 30.856 10.090 1.00 28.83 C ATOM 1557 CE LYS A 587 16.301 32.188 9.519 1.00 32.87 C ATOM 1558 NZ LYS A 587 17.225 32.919 10.424 1.00 30.10 N ATOM 1559 HZ1 LYS A 587 16.752 33.093 11.334 1.00 0.00 H ATOM 1560 HZ2 LYS A 587 18.080 32.347 10.580 1.00 0.00 H ATOM 1561 HZ3 LYS A 587 17.488 33.827 9.989 1.00 0.00 H ATOM 1562 H LYS A 587 12.407 29.217 9.116 1.00 0.00 H ATOM 1563 N TRP A 588 12.754 25.852 9.381 1.00 22.61 N ATOM 1564 CA TRP A 588 12.516 24.445 9.707 1.00 21.83 C ATOM 1565 C TRP A 588 11.686 23.729 8.646 1.00 24.38 C ATOM 1566 O TRP A 588 11.660 22.504 8.651 1.00 23.51 O ATOM 1567 CB TRP A 588 11.761 24.355 11.048 1.00 20.36 C ATOM 1568 CG TRP A 588 12.606 24.690 12.234 1.00 21.19 C ATOM 1569 CD1 TRP A 588 13.261 23.810 13.037 1.00 23.95 C ATOM 1570 CD2 TRP A 588 12.908 25.998 12.740 1.00 21.08 C ATOM 1571 NE1 TRP A 588 13.940 24.480 14.019 1.00 23.45 N ATOM 1572 CE2 TRP A 588 13.769 25.827 13.844 1.00 24.81 C ATOM 1573 CE3 TRP A 588 12.563 27.300 12.349 1.00 22.45 C ATOM 1574 CZ2 TRP A 588 14.256 26.906 14.590 1.00 24.48 C ATOM 1575 CZ3 TRP A 588 13.085 28.372 13.064 1.00 24.16 C ATOM 1576 CH2 TRP A 588 13.907 28.169 14.179 1.00 24.65 C ATOM 1577 HE1 TRP A 588 14.497 24.036 14.777 1.00 0.00 H ATOM 1578 H TRP A 588 11.964 26.517 9.505 1.00 0.00 H ATOM 1579 N MET A 589 11.021 24.463 7.745 1.00 20.77 N ATOM 1580 CA MET A 589 10.067 23.883 6.806 1.00 21.21 C ATOM 1581 C MET A 589 10.653 23.243 5.549 1.00 26.35 C ATOM 1582 O MET A 589 11.670 23.672 5.022 1.00 25.93 O ATOM 1583 CB MET A 589 9.016 24.936 6.404 1.00 22.89 C ATOM 1584 CG MET A 589 8.008 25.228 7.508 1.00 25.89 C ATOM 1585 SD MET A 589 7.169 26.825 7.278 1.00 29.47 S ATOM 1586 CE MET A 589 6.211 26.470 5.789 1.00 26.35 C ATOM 1587 H MET A 589 11.192 25.488 7.713 1.00 0.00 H ATOM 1588 N ALA A 590 9.948 22.230 5.047 1.00 24.47 N ATOM 1589 CA ALA A 590 10.308 21.534 3.811 1.00 25.21 C ATOM 1590 C ALA A 590 10.057 22.465 2.624 1.00 27.90 C ATOM 1591 O ALA A 590 9.175 23.322 2.720 1.00 27.38 O ATOM 1592 CB ALA A 590 9.453 20.278 3.663 1.00 26.26 C ATOM 1593 H ALA A 590 9.099 21.918 5.560 1.00 0.00 H ATOM 1594 N PRO A 591 10.782 22.327 1.493 1.00 24.83 N ATOM 1595 CA PRO A 591 10.523 23.225 0.351 1.00 24.06 C ATOM 1596 C PRO A 591 9.064 23.235 -0.131 1.00 26.64 C ATOM 1597 O PRO A 591 8.533 24.311 -0.398 1.00 25.75 O ATOM 1598 CB PRO A 591 11.487 22.742 -0.742 1.00 26.23 C ATOM 1599 CG PRO A 591 12.209 21.586 -0.202 1.00 30.52 C ATOM 1600 CD PRO A 591 11.883 21.381 1.225 1.00 25.70 C ATOM 1601 N GLU A 592 8.410 22.057 -0.219 1.00 23.06 N ATOM 1602 CA GLU A 592 7.007 21.982 -0.659 1.00 23.36 C ATOM 1603 C GLU A 592 6.044 22.635 0.338 1.00 26.39 C ATOM 1604 O GLU A 592 4.982 23.091 -0.072 1.00 26.44 O ATOM 1605 CB GLU A 592 6.565 20.545 -1.018 1.00 24.74 C ATOM 1606 CG GLU A 592 6.450 19.548 0.127 1.00 29.51 C ATOM 1607 CD GLU A 592 7.747 18.992 0.683 1.00 38.92 C ATOM 1608 OE1 GLU A 592 8.830 19.334 0.153 1.00 27.10 O ATOM 1609 OE2 GLU A 592 7.681 18.198 1.648 1.00 24.42 O ATOM 1610 H GLU A 592 8.910 21.180 0.030 1.00 0.00 H ATOM 1611 N SER A 593 6.398 22.676 1.638 1.00 22.05 N ATOM 1612 CA SER A 593 5.571 23.363 2.638 1.00 21.49 C ATOM 1613 C SER A 593 5.699 24.891 2.439 1.00 26.40 C ATOM 1614 O SER A 593 4.702 25.610 2.482 1.00 25.08 O ATOM 1615 CB SER A 593 6.018 22.989 4.050 1.00 24.53 C ATOM 1616 OG SER A 593 5.891 21.597 4.297 1.00 28.34 O ATOM 1617 HG SER A 593 6.190 21.398 5.220 1.00 0.00 H ATOM 1618 H SER A 593 7.277 22.210 1.940 1.00 0.00 H ATOM 1619 N ILE A 594 6.918 25.376 2.152 1.00 25.23 N ATOM 1620 CA ILE A 594 7.142 26.809 1.923 1.00 25.18 C ATOM 1621 C ILE A 594 6.526 27.225 0.578 1.00 29.46 C ATOM 1622 O ILE A 594 5.785 28.206 0.516 1.00 29.98 O ATOM 1623 CB ILE A 594 8.659 27.163 1.956 1.00 28.04 C ATOM 1624 CG1 ILE A 594 9.304 26.802 3.310 1.00 27.85 C ATOM 1625 CG2 ILE A 594 8.848 28.663 1.650 1.00 29.84 C ATOM 1626 CD1 ILE A 594 10.822 26.623 3.243 1.00 28.76 C ATOM 1627 H ILE A 594 7.723 24.721 2.090 1.00 0.00 H ATOM 1628 N ASN A 595 6.859 26.492 -0.493 1.00 26.22 N ATOM 1629 CA ASN A 595 6.405 26.817 -1.851 1.00 26.33 C ATOM 1630 C ASN A 595 4.913 26.671 -2.077 1.00 31.27 C ATOM 1631 O ASN A 595 4.308 27.567 -2.665 1.00 30.86 O ATOM 1632 CB ASN A 595 7.130 25.953 -2.897 1.00 26.37 C ATOM 1633 CG ASN A 595 8.617 26.211 -3.023 1.00 41.63 C ATOM 1634 OD1 ASN A 595 9.094 27.333 -2.878 1.00 35.19 O ATOM 1635 ND2 ASN A 595 9.389 25.176 -3.318 1.00 29.20 N ATOM 1636 HD22 ASN A 595 8.970 24.232 -3.438 1.00 0.00 H ATOM 1637 HD21 ASN A 595 10.415 25.307 -3.430 1.00 0.00 H ATOM 1638 H ASN A 595 7.465 25.658 -0.357 1.00 0.00 H ATOM 1639 N PHE A 596 4.325 25.525 -1.676 1.00 27.89 N ATOM 1640 CA PHE A 596 2.923 25.221 -1.980 1.00 27.31 C ATOM 1641 C PHE A 596 2.046 24.860 -0.790 1.00 31.24 C ATOM 1642 O PHE A 596 0.936 24.375 -1.017 1.00 31.02 O ATOM 1643 CB PHE A 596 2.883 24.089 -3.019 1.00 28.65 C ATOM 1644 CG PHE A 596 3.843 24.319 -4.162 1.00 29.42 C ATOM 1645 CD1 PHE A 596 3.690 25.406 -5.008 1.00 31.92 C ATOM 1646 CD2 PHE A 596 4.954 23.502 -4.332 1.00 30.29 C ATOM 1647 CE1 PHE A 596 4.615 25.662 -6.016 1.00 32.71 C ATOM 1648 CE2 PHE A 596 5.864 23.744 -5.360 1.00 33.12 C ATOM 1649 CZ PHE A 596 5.695 24.826 -6.190 1.00 31.96 C ATOM 1650 H PHE A 596 4.884 24.835 -1.134 1.00 0.00 H ATOM 1651 N ARG A 597 2.501 25.105 0.463 1.00 27.91 N ATOM 1652 CA ARG A 597 1.724 24.787 1.668 1.00 28.03 C ATOM 1653 C ARG A 597 1.323 23.299 1.735 1.00 30.05 C ATOM 1654 O ARG A 597 0.253 22.974 2.248 1.00 28.65 O ATOM 1655 CB ARG A 597 0.481 25.708 1.796 1.00 30.19 C ATOM 1656 CG ARG A 597 0.794 27.210 1.841 1.00 42.91 C ATOM 1657 CD ARG A 597 1.526 27.638 3.106 1.00 58.93 C ATOM 1658 NE ARG A 597 0.731 27.388 4.313 1.00 70.22 N ATOM 1659 CZ ARG A 597 1.195 27.425 5.561 1.00 84.54 C ATOM 1660 NH1 ARG A 597 2.476 27.691 5.798 1.00 75.35 N ATOM 1661 NH2 ARG A 597 0.383 27.183 6.584 1.00 69.27 N ATOM 1662 HE ARG A 597 -0.276 27.164 4.184 1.00 0.00 H ATOM 1663 HH12 ARG A 597 2.829 27.718 6.776 1.00 0.00 H ATOM 1664 HH11 ARG A 597 3.125 27.872 5.006 1.00 0.00 H ATOM 1665 HH22 ARG A 597 0.749 27.213 7.557 1.00 0.00 H ATOM 1666 HH21 ARG A 597 -0.619 26.964 6.412 1.00 0.00 H ATOM 1667 H ARG A 597 3.440 25.537 0.576 1.00 0.00 H ATOM 1668 N ARG A 598 2.181 22.399 1.217 1.00 25.75 N ATOM 1669 CA ARG A 598 1.925 20.963 1.287 1.00 25.25 C ATOM 1670 C ARG A 598 2.515 20.460 2.590 1.00 26.36 C ATOM 1671 O ARG A 598 3.694 20.711 2.871 1.00 24.98 O ATOM 1672 CB ARG A 598 2.539 20.215 0.103 1.00 29.19 C ATOM 1673 CG ARG A 598 1.889 18.840 -0.105 1.00 39.68 C ATOM 1674 CD ARG A 598 2.743 17.973 -0.986 1.00 44.57 C ATOM 1675 NE ARG A 598 2.898 18.562 -2.318 1.00 46.62 N ATOM 1676 CZ ARG A 598 3.857 18.257 -3.192 1.00 57.27 C ATOM 1677 NH1 ARG A 598 3.902 18.863 -4.372 1.00 41.78 N ATOM 1678 NH2 ARG A 598 4.785 17.349 -2.891 1.00 42.89 N ATOM 1679 HE ARG A 598 2.201 19.278 -2.606 1.00 0.00 H ATOM 1680 HH12 ARG A 598 4.652 18.623 -5.052 1.00 0.00 H ATOM 1681 HH11 ARG A 598 3.188 19.578 -4.617 1.00 0.00 H ATOM 1682 HH22 ARG A 598 5.529 17.118 -3.580 1.00 0.00 H ATOM 1683 HH21 ARG A 598 4.765 16.871 -1.967 1.00 0.00 H ATOM 1684 H ARG A 598 3.049 22.736 0.755 1.00 0.00 H ATOM 1685 N PHE A 599 1.693 19.769 3.390 1.00 21.88 N ATOM 1686 CA PHE A 599 2.073 19.245 4.697 1.00 22.01 C ATOM 1687 C PHE A 599 1.750 17.763 4.791 1.00 26.84 C ATOM 1688 O PHE A 599 0.591 17.387 4.737 1.00 25.85 O ATOM 1689 CB PHE A 599 1.335 20.012 5.793 1.00 23.74 C ATOM 1690 CG PHE A 599 1.802 21.443 5.889 1.00 25.27 C ATOM 1691 CD1 PHE A 599 2.974 21.762 6.558 1.00 28.50 C ATOM 1692 CD2 PHE A 599 1.073 22.469 5.308 1.00 27.49 C ATOM 1693 CE1 PHE A 599 3.399 23.085 6.654 1.00 30.04 C ATOM 1694 CE2 PHE A 599 1.514 23.787 5.381 1.00 30.71 C ATOM 1695 CZ PHE A 599 2.671 24.088 6.055 1.00 28.82 C ATOM 1696 H PHE A 599 0.723 19.595 3.059 1.00 0.00 H ATOM 1697 N THR A 600 2.774 16.918 4.850 1.00 23.88 N ATOM 1698 CA THR A 600 2.601 15.465 4.937 1.00 23.01 C ATOM 1699 C THR A 600 3.620 14.917 5.929 1.00 24.86 C ATOM 1700 O THR A 600 4.401 15.685 6.497 1.00 22.24 O ATOM 1701 CB THR A 600 2.835 14.830 3.551 1.00 24.70 C ATOM 1702 OG1 THR A 600 4.232 14.887 3.241 1.00 21.09 O ATOM 1703 CG2 THR A 600 1.988 15.464 2.452 1.00 21.51 C ATOM 1704 HG1 THR A 600 4.528 15.832 3.230 1.00 0.00 H ATOM 1705 H THR A 600 3.740 17.304 4.834 1.00 0.00 H ATOM 1706 N SER A 601 3.654 13.588 6.101 1.00 21.93 N ATOM 1707 CA SER A 601 4.630 12.969 6.995 1.00 22.19 C ATOM 1708 C SER A 601 6.038 13.200 6.436 1.00 24.47 C ATOM 1709 O SER A 601 6.966 13.356 7.209 1.00 22.61 O ATOM 1710 CB SER A 601 4.351 11.474 7.148 1.00 25.99 C ATOM 1711 OG SER A 601 4.275 10.833 5.888 1.00 33.72 O ATOM 1712 HG SER A 601 5.134 10.946 5.409 1.00 0.00 H ATOM 1713 H SER A 601 2.975 12.988 5.590 1.00 0.00 H ATOM 1714 N ALA A 602 6.184 13.263 5.093 1.00 20.58 N ATOM 1715 CA ALA A 602 7.472 13.520 4.445 1.00 20.18 C ATOM 1716 C ALA A 602 7.976 14.933 4.759 1.00 23.34 C ATOM 1717 O ALA A 602 9.184 15.121 4.896 1.00 22.57 O ATOM 1718 CB ALA A 602 7.353 13.328 2.930 1.00 20.56 C ATOM 1719 H ALA A 602 5.345 13.123 4.494 1.00 0.00 H ATOM 1720 N SER A 603 7.079 15.929 4.859 1.00 19.58 N ATOM 1721 CA SER A 603 7.516 17.281 5.220 1.00 19.28 C ATOM 1722 C SER A 603 7.924 17.297 6.725 1.00 22.43 C ATOM 1723 O SER A 603 8.903 17.948 7.059 1.00 21.95 O ATOM 1724 CB SER A 603 6.443 18.323 4.902 1.00 22.75 C ATOM 1725 OG SER A 603 5.233 18.174 5.629 1.00 28.69 O ATOM 1726 HG SER A 603 5.421 18.244 6.598 1.00 0.00 H ATOM 1727 H SER A 603 6.072 15.740 4.680 1.00 0.00 H ATOM 1728 N ASP A 604 7.245 16.503 7.599 1.00 18.25 N ATOM 1729 CA ASP A 604 7.620 16.403 9.028 1.00 18.30 C ATOM 1730 C ASP A 604 9.005 15.736 9.142 1.00 22.53 C ATOM 1731 O ASP A 604 9.746 16.055 10.060 1.00 23.04 O ATOM 1732 CB ASP A 604 6.592 15.572 9.832 1.00 19.76 C ATOM 1733 CG ASP A 604 5.284 16.252 10.207 1.00 25.55 C ATOM 1734 OD1 ASP A 604 5.209 17.511 10.129 1.00 24.30 O ATOM 1735 OD2 ASP A 604 4.353 15.538 10.623 1.00 24.55 O ATOM 1736 H ASP A 604 6.437 15.949 7.251 1.00 0.00 H ATOM 1737 N VAL A 605 9.343 14.792 8.231 1.00 20.75 N ATOM 1738 CA VAL A 605 10.679 14.164 8.209 1.00 20.25 C ATOM 1739 C VAL A 605 11.750 15.249 7.957 1.00 25.05 C ATOM 1740 O VAL A 605 12.755 15.254 8.659 1.00 25.31 O ATOM 1741 CB VAL A 605 10.770 13.008 7.182 1.00 23.23 C ATOM 1742 CG1 VAL A 605 12.229 12.674 6.834 1.00 22.34 C ATOM 1743 CG2 VAL A 605 10.034 11.776 7.706 1.00 22.87 C ATOM 1744 H VAL A 605 8.638 14.500 7.524 1.00 0.00 H ATOM 1745 N TRP A 606 11.532 16.164 6.991 1.00 21.65 N ATOM 1746 CA TRP A 606 12.473 17.268 6.745 1.00 21.97 C ATOM 1747 C TRP A 606 12.671 18.059 8.040 1.00 23.18 C ATOM 1748 O TRP A 606 13.802 18.305 8.433 1.00 21.16 O ATOM 1749 CB TRP A 606 11.971 18.199 5.617 1.00 20.95 C ATOM 1750 CG TRP A 606 12.849 19.389 5.341 1.00 21.84 C ATOM 1751 CD1 TRP A 606 12.973 20.516 6.102 1.00 24.56 C ATOM 1752 CD2 TRP A 606 13.653 19.607 4.172 1.00 21.71 C ATOM 1753 NE1 TRP A 606 13.868 21.383 5.524 1.00 24.26 N ATOM 1754 CE2 TRP A 606 14.257 20.875 4.311 1.00 25.45 C ATOM 1755 CE3 TRP A 606 13.843 18.898 2.974 1.00 23.13 C ATOM 1756 CZ2 TRP A 606 15.112 21.405 3.341 1.00 24.71 C ATOM 1757 CZ3 TRP A 606 14.714 19.410 2.029 1.00 24.55 C ATOM 1758 CH2 TRP A 606 15.334 20.650 2.215 1.00 25.13 C ATOM 1759 HE1 TRP A 606 14.197 22.278 5.939 1.00 0.00 H ATOM 1760 H TRP A 606 10.677 16.087 6.405 1.00 0.00 H ATOM 1761 N MET A 607 11.567 18.448 8.691 1.00 18.89 N ATOM 1762 CA MET A 607 11.589 19.218 9.947 1.00 18.51 C ATOM 1763 C MET A 607 12.323 18.453 11.043 1.00 22.18 C ATOM 1764 O MET A 607 13.138 19.037 11.758 1.00 22.08 O ATOM 1765 CB MET A 607 10.159 19.516 10.435 1.00 20.50 C ATOM 1766 CG MET A 607 9.293 20.247 9.459 1.00 23.67 C ATOM 1767 SD MET A 607 7.852 20.950 10.270 1.00 27.80 S ATOM 1768 CE MET A 607 8.554 22.521 10.877 1.00 24.27 C ATOM 1769 H MET A 607 10.643 18.192 8.288 1.00 0.00 H ATOM 1770 N PHE A 608 12.070 17.139 11.157 1.00 18.66 N ATOM 1771 CA PHE A 608 12.767 16.297 12.133 1.00 18.16 C ATOM 1772 C PHE A 608 14.289 16.293 11.865 1.00 22.02 C ATOM 1773 O PHE A 608 15.068 16.344 12.809 1.00 20.69 O ATOM 1774 CB PHE A 608 12.190 14.867 12.144 1.00 19.51 C ATOM 1775 CG PHE A 608 12.922 13.934 13.074 1.00 20.99 C ATOM 1776 CD1 PHE A 608 12.983 14.193 14.438 1.00 24.52 C ATOM 1777 CD2 PHE A 608 13.603 12.835 12.581 1.00 23.00 C ATOM 1778 CE1 PHE A 608 13.703 13.357 15.289 1.00 24.81 C ATOM 1779 CE2 PHE A 608 14.331 12.008 13.430 1.00 26.36 C ATOM 1780 CZ PHE A 608 14.353 12.257 14.784 1.00 23.84 C ATOM 1781 H PHE A 608 11.358 16.706 10.534 1.00 0.00 H ATOM 1782 N GLY A 609 14.695 16.295 10.593 1.00 17.96 N ATOM 1783 CA GLY A 609 16.102 16.387 10.229 1.00 17.28 C ATOM 1784 C GLY A 609 16.720 17.661 10.772 1.00 20.74 C ATOM 1785 O GLY A 609 17.811 17.637 11.347 1.00 19.36 O ATOM 1786 H GLY A 609 13.983 16.229 9.838 1.00 0.00 H ATOM 1787 N VAL A 610 15.977 18.783 10.656 1.00 17.88 N ATOM 1788 CA VAL A 610 16.428 20.077 11.190 1.00 16.98 C ATOM 1789 C VAL A 610 16.489 19.970 12.717 1.00 20.59 C ATOM 1790 O VAL A 610 17.432 20.473 13.323 1.00 21.34 O ATOM 1791 CB VAL A 610 15.520 21.256 10.719 1.00 19.53 C ATOM 1792 CG1 VAL A 610 15.969 22.583 11.333 1.00 19.11 C ATOM 1793 CG2 VAL A 610 15.498 21.365 9.187 1.00 18.93 C ATOM 1794 H VAL A 610 15.057 18.730 10.174 1.00 0.00 H ATOM 1795 N CYS A 611 15.492 19.333 13.339 1.00 17.93 N ATOM 1796 CA CYS A 611 15.446 19.181 14.810 1.00 18.48 C ATOM 1797 C CYS A 611 16.638 18.351 15.295 1.00 23.39 C ATOM 1798 O CYS A 611 17.255 18.711 16.296 1.00 23.43 O ATOM 1799 CB CYS A 611 14.113 18.579 15.257 1.00 19.00 C ATOM 1800 SG CYS A 611 13.938 18.416 17.056 1.00 23.79 S ATOM 1801 H CYS A 611 14.721 18.930 12.769 1.00 0.00 H ATOM 1802 N MET A 612 17.004 17.278 14.559 1.00 21.18 N ATOM 1803 CA MET A 612 18.174 16.464 14.907 1.00 20.31 C ATOM 1804 C MET A 612 19.438 17.303 14.827 1.00 23.38 C ATOM 1805 O MET A 612 20.285 17.208 15.708 1.00 21.55 O ATOM 1806 CB MET A 612 18.311 15.243 13.993 1.00 21.94 C ATOM 1807 CG MET A 612 17.306 14.159 14.284 1.00 24.90 C ATOM 1808 SD MET A 612 17.851 12.607 13.558 1.00 28.30 S ATOM 1809 CE MET A 612 17.570 12.922 11.800 1.00 23.68 C ATOM 1810 H MET A 612 16.441 17.022 13.723 1.00 0.00 H ATOM 1811 N TRP A 613 19.565 18.126 13.775 1.00 21.99 N ATOM 1812 CA TRP A 613 20.711 19.033 13.607 1.00 21.12 C ATOM 1813 C TRP A 613 20.807 19.984 14.821 1.00 23.84 C ATOM 1814 O TRP A 613 21.895 20.126 15.395 1.00 22.27 O ATOM 1815 CB TRP A 613 20.574 19.822 12.288 1.00 19.69 C ATOM 1816 CG TRP A 613 21.722 20.733 11.985 1.00 20.22 C ATOM 1817 CD1 TRP A 613 22.830 20.439 11.247 1.00 22.88 C ATOM 1818 CD2 TRP A 613 21.836 22.116 12.352 1.00 19.94 C ATOM 1819 NE1 TRP A 613 23.658 21.538 11.180 1.00 22.48 N ATOM 1820 CE2 TRP A 613 23.065 22.586 11.837 1.00 23.42 C ATOM 1821 CE3 TRP A 613 21.039 22.992 13.111 1.00 20.93 C ATOM 1822 CZ2 TRP A 613 23.495 23.911 12.007 1.00 22.55 C ATOM 1823 CZ3 TRP A 613 21.490 24.288 13.326 1.00 22.36 C ATOM 1824 CH2 TRP A 613 22.693 24.741 12.764 1.00 22.67 C ATOM 1825 HE1 TRP A 613 24.584 21.568 10.707 1.00 0.00 H ATOM 1826 H TRP A 613 18.822 18.123 13.048 1.00 0.00 H ATOM 1827 N GLU A 614 19.663 20.550 15.269 1.00 19.56 N ATOM 1828 CA GLU A 614 19.649 21.464 16.423 1.00 19.91 C ATOM 1829 C GLU A 614 20.137 20.794 17.692 1.00 23.53 C ATOM 1830 O GLU A 614 20.834 21.444 18.466 1.00 22.41 O ATOM 1831 CB GLU A 614 18.257 22.032 16.689 1.00 21.03 C ATOM 1832 CG GLU A 614 17.786 23.055 15.687 1.00 22.24 C ATOM 1833 CD GLU A 614 16.389 23.525 16.019 1.00 29.21 C ATOM 1834 OE1 GLU A 614 15.434 22.756 15.772 1.00 22.95 O ATOM 1835 OE2 GLU A 614 16.238 24.653 16.538 1.00 26.51 O ATOM 1836 H GLU A 614 18.768 20.333 14.785 1.00 0.00 H ATOM 1837 N ILE A 615 19.780 19.500 17.903 1.00 20.20 N ATOM 1838 CA ILE A 615 20.195 18.738 19.087 1.00 19.83 C ATOM 1839 C ILE A 615 21.713 18.566 19.064 1.00 22.87 C ATOM 1840 O ILE A 615 22.372 18.878 20.054 1.00 23.30 O ATOM 1841 CB ILE A 615 19.467 17.353 19.199 1.00 22.30 C ATOM 1842 CG1 ILE A 615 17.965 17.554 19.462 1.00 22.87 C ATOM 1843 CG2 ILE A 615 20.071 16.495 20.343 1.00 22.07 C ATOM 1844 CD1 ILE A 615 17.060 16.318 19.166 1.00 25.93 C ATOM 1845 H ILE A 615 19.185 19.028 17.193 1.00 0.00 H ATOM 1846 N LEU A 616 22.265 18.080 17.929 1.00 18.46 N ATOM 1847 CA LEU A 616 23.705 17.849 17.801 1.00 19.40 C ATOM 1848 C LEU A 616 24.510 19.167 17.809 1.00 24.27 C ATOM 1849 O LEU A 616 25.697 19.151 18.130 1.00 24.39 O ATOM 1850 CB LEU A 616 24.037 16.955 16.577 1.00 19.45 C ATOM 1851 CG LEU A 616 23.864 15.420 16.799 1.00 24.02 C ATOM 1852 CD1 LEU A 616 24.969 14.844 17.697 1.00 23.95 C ATOM 1853 CD2 LEU A 616 22.497 15.062 17.412 1.00 23.70 C ATOM 1854 H LEU A 616 21.647 17.863 17.121 1.00 0.00 H ATOM 1855 N MET A 617 23.846 20.307 17.543 1.00 20.83 N ATOM 1856 CA MET A 617 24.451 21.638 17.640 1.00 21.40 C ATOM 1857 C MET A 617 24.295 22.252 19.046 1.00 26.20 C ATOM 1858 O MET A 617 24.682 23.407 19.244 1.00 26.30 O ATOM 1859 CB MET A 617 23.836 22.579 16.593 1.00 23.21 C ATOM 1860 CG MET A 617 24.280 22.277 15.206 1.00 25.94 C ATOM 1861 SD MET A 617 25.996 22.744 14.914 1.00 30.35 S ATOM 1862 CE MET A 617 25.880 24.562 14.850 1.00 26.84 C ATOM 1863 H MET A 617 22.850 20.240 17.253 1.00 0.00 H ATOM 1864 N HIS A 618 23.727 21.503 20.007 1.00 22.05 N ATOM 1865 CA HIS A 618 23.515 21.944 21.394 1.00 22.27 C ATOM 1866 C HIS A 618 22.561 23.136 21.530 1.00 26.40 C ATOM 1867 O HIS A 618 22.824 24.057 22.312 1.00 26.12 O ATOM 1868 CB HIS A 618 24.857 22.232 22.092 1.00 22.99 C ATOM 1869 CG HIS A 618 25.893 21.196 21.809 1.00 26.30 C ATOM 1870 ND1 HIS A 618 25.821 19.942 22.363 1.00 28.27 N ATOM 1871 CD2 HIS A 618 26.948 21.243 20.969 1.00 28.73 C ATOM 1872 CE1 HIS A 618 26.872 19.282 21.908 1.00 28.38 C ATOM 1873 NE2 HIS A 618 27.576 20.024 21.053 1.00 28.73 N ATOM 1874 H HIS A 618 23.416 20.544 19.752 1.00 0.00 H ATOM 1875 N GLY A 619 21.457 23.096 20.794 1.00 22.58 N ATOM 1876 CA GLY A 619 20.432 24.136 20.861 1.00 23.03 C ATOM 1877 C GLY A 619 20.701 25.422 20.096 1.00 28.80 C ATOM 1878 O GLY A 619 20.147 26.463 20.450 1.00 29.14 O ATOM 1879 H GLY A 619 21.316 22.295 20.146 1.00 0.00 H ATOM 1880 N VAL A 620 21.496 25.363 19.020 1.00 25.80 N ATOM 1881 CA VAL A 620 21.746 26.515 18.157 1.00 25.55 C ATOM 1882 C VAL A 620 20.667 26.445 17.056 1.00 28.02 C ATOM 1883 O VAL A 620 20.366 25.353 16.569 1.00 26.64 O ATOM 1884 CB VAL A 620 23.187 26.495 17.580 1.00 29.74 C ATOM 1885 CG1 VAL A 620 23.372 27.530 16.466 1.00 30.05 C ATOM 1886 CG2 VAL A 620 24.218 26.714 18.686 1.00 29.29 C ATOM 1887 H VAL A 620 21.955 24.459 18.789 1.00 0.00 H ATOM 1888 N LYS A 621 20.062 27.589 16.696 1.00 24.38 N ATOM 1889 CA LYS A 621 19.008 27.627 15.674 1.00 23.94 C ATOM 1890 C LYS A 621 19.590 27.478 14.268 1.00 27.69 C ATOM 1891 O LYS A 621 20.704 27.931 14.014 1.00 28.45 O ATOM 1892 CB LYS A 621 18.222 28.953 15.739 1.00 26.95 C ATOM 1893 CG LYS A 621 17.391 29.132 16.999 1.00 35.34 C ATOM 1894 CD LYS A 621 16.716 30.504 17.012 1.00 38.46 C ATOM 1895 CE LYS A 621 16.053 30.825 18.325 1.00 47.88 C ATOM 1896 NZ LYS A 621 15.435 32.181 18.314 1.00 49.78 N ATOM 1897 HZ1 LYS A 621 16.170 32.894 18.135 1.00 0.00 H ATOM 1898 HZ2 LYS A 621 14.716 32.227 17.564 1.00 0.00 H ATOM 1899 HZ3 LYS A 621 14.989 32.365 19.235 1.00 0.00 H ATOM 1900 H LYS A 621 20.349 28.476 17.156 1.00 0.00 H ATOM 1901 N PRO A 622 18.848 26.871 13.325 1.00 24.16 N ATOM 1902 CA PRO A 622 19.356 26.761 11.946 1.00 23.80 C ATOM 1903 C PRO A 622 19.323 28.101 11.220 1.00 28.90 C ATOM 1904 O PRO A 622 18.511 28.956 11.567 1.00 28.01 O ATOM 1905 CB PRO A 622 18.377 25.778 11.305 1.00 25.05 C ATOM 1906 CG PRO A 622 17.082 26.060 12.027 1.00 28.41 C ATOM 1907 CD PRO A 622 17.497 26.284 13.446 1.00 24.38 C ATOM 1908 N PHE A 623 20.199 28.267 10.214 1.00 26.69 N ATOM 1909 CA PHE A 623 20.292 29.452 9.359 1.00 27.41 C ATOM 1910 C PHE A 623 20.362 30.783 10.137 1.00 33.23 C ATOM 1911 O PHE A 623 19.660 31.742 9.790 1.00 32.09 O ATOM 1912 CB PHE A 623 19.128 29.469 8.350 1.00 29.15 C ATOM 1913 CG PHE A 623 19.018 28.249 7.471 1.00 30.88 C ATOM 1914 CD1 PHE A 623 19.843 28.094 6.365 1.00 35.27 C ATOM 1915 CD2 PHE A 623 18.044 27.291 7.704 1.00 31.95 C ATOM 1916 CE1 PHE A 623 19.725 26.975 5.539 1.00 36.78 C ATOM 1917 CE2 PHE A 623 17.937 26.168 6.887 1.00 35.09 C ATOM 1918 CZ PHE A 623 18.776 26.016 5.810 1.00 34.49 C ATOM 1919 H PHE A 623 20.865 27.490 10.028 1.00 0.00 H ATOM 1920 N GLN A 624 21.205 30.846 11.187 1.00 31.97 N ATOM 1921 CA GLN A 624 21.365 32.088 11.958 1.00 32.87 C ATOM 1922 C GLN A 624 21.978 33.170 11.066 1.00 38.19 C ATOM 1923 O GLN A 624 22.863 32.869 10.267 1.00 37.86 O ATOM 1924 CB GLN A 624 22.243 31.872 13.208 1.00 34.06 C ATOM 1925 CG GLN A 624 21.503 31.188 14.346 1.00 39.74 C ATOM 1926 CD GLN A 624 20.647 32.152 15.122 1.00 52.92 C ATOM 1927 OE1 GLN A 624 19.464 32.332 14.827 1.00 44.12 O ATOM 1928 NE2 GLN A 624 21.223 32.807 16.126 1.00 47.66 N ATOM 1929 HE22 GLN A 624 22.223 32.635 16.353 1.00 0.00 H ATOM 1930 HE21 GLN A 624 20.673 33.491 16.684 1.00 0.00 H ATOM 1931 H GLN A 624 21.751 30.003 11.456 1.00 0.00 H ATOM 1932 N GLY A 625 21.443 34.388 11.153 1.00 36.31 N ATOM 1933 CA GLY A 625 21.908 35.520 10.356 1.00 36.11 C ATOM 1934 C GLY A 625 21.456 35.547 8.904 1.00 40.10 C ATOM 1935 O GLY A 625 21.884 36.432 8.161 1.00 39.79 O ATOM 1936 H GLY A 625 20.659 34.539 11.819 1.00 0.00 H ATOM 1937 N VAL A 626 20.575 34.605 8.482 1.00 35.83 N ATOM 1938 CA VAL A 626 20.059 34.520 7.109 1.00 35.02 C ATOM 1939 C VAL A 626 18.584 34.936 7.140 1.00 37.11 C ATOM 1940 O VAL A 626 17.864 34.519 8.044 1.00 35.35 O ATOM 1941 CB VAL A 626 20.205 33.072 6.562 1.00 39.13 C ATOM 1942 CG1 VAL A 626 19.756 32.978 5.104 1.00 39.03 C ATOM 1943 CG2 VAL A 626 21.637 32.557 6.718 1.00 38.85 C ATOM 1944 H VAL A 626 20.245 33.901 9.172 1.00 0.00 H ATOM 1945 N LYS A 627 18.128 35.736 6.155 1.00 33.68 N ATOM 1946 CA LYS A 627 16.721 36.167 6.097 1.00 33.55 C ATOM 1947 C LYS A 627 15.822 34.998 5.670 1.00 36.99 C ATOM 1948 O LYS A 627 16.256 34.169 4.879 1.00 37.28 O ATOM 1949 CB LYS A 627 16.547 37.333 5.107 1.00 35.83 C ATOM 1950 CG LYS A 627 17.313 38.601 5.475 1.00 51.93 C ATOM 1951 CD LYS A 627 16.744 39.845 4.774 1.00 66.32 C ATOM 1952 CE LYS A 627 16.706 39.732 3.262 1.00 84.14 C ATOM 1953 NZ LYS A 627 16.281 41.006 2.620 1.00 96.23 N ATOM 1954 HZ1 LYS A 627 15.329 41.259 2.952 1.00 0.00 H ATOM 1955 HZ2 LYS A 627 16.950 41.761 2.874 1.00 0.00 H ATOM 1956 HZ3 LYS A 627 16.269 40.885 1.587 1.00 0.00 H ATOM 1957 H LYS A 627 18.787 36.057 5.417 1.00 0.00 H ATOM 1958 N ASN A 628 14.581 34.934 6.187 1.00 33.95 N ATOM 1959 CA ASN A 628 13.611 33.874 5.852 1.00 33.82 C ATOM 1960 C ASN A 628 13.378 33.742 4.343 1.00 39.77 C ATOM 1961 O ASN A 628 13.259 32.624 3.849 1.00 39.32 O ATOM 1962 CB ASN A 628 12.256 34.123 6.532 1.00 32.25 C ATOM 1963 CG ASN A 628 12.193 33.748 7.986 1.00 48.66 C ATOM 1964 OD1 ASN A 628 13.020 32.995 8.504 1.00 40.95 O ATOM 1965 ND2 ASN A 628 11.180 34.238 8.678 1.00 40.04 N ATOM 1966 HD22 ASN A 628 10.495 34.872 8.219 1.00 0.00 H ATOM 1967 HD21 ASN A 628 11.068 33.990 9.682 1.00 0.00 H ATOM 1968 H ASN A 628 14.290 35.672 6.859 1.00 0.00 H ATOM 1969 N ASN A 629 13.316 34.874 3.620 1.00 37.29 N ATOM 1970 CA ASN A 629 13.099 34.876 2.170 1.00 37.61 C ATOM 1971 C ASN A 629 14.255 34.237 1.381 1.00 42.14 C ATOM 1972 O ASN A 629 14.017 33.791 0.263 1.00 42.83 O ATOM 1973 CB ASN A 629 12.860 36.310 1.652 1.00 37.51 C ATOM 1974 CG ASN A 629 11.562 36.942 2.109 1.00 61.83 C ATOM 1975 OD1 ASN A 629 10.605 36.264 2.505 1.00 50.41 O ATOM 1976 ND2 ASN A 629 11.495 38.266 2.064 1.00 59.19 N ATOM 1977 HD22 ASN A 629 12.311 38.817 1.728 1.00 0.00 H ATOM 1978 HD21 ASN A 629 10.627 38.753 2.365 1.00 0.00 H ATOM 1979 H ASN A 629 13.426 35.785 4.109 1.00 0.00 H ATOM 1980 N ASP A 630 15.488 34.207 1.937 1.00 37.50 N ATOM 1981 CA ASP A 630 16.670 33.642 1.273 1.00 36.99 C ATOM 1982 C ASP A 630 16.962 32.161 1.619 1.00 41.15 C ATOM 1983 O ASP A 630 17.917 31.593 1.076 1.00 39.93 O ATOM 1984 CB ASP A 630 17.904 34.504 1.596 1.00 39.07 C ATOM 1985 CG ASP A 630 17.778 35.945 1.130 1.00 52.33 C ATOM 1986 OD1 ASP A 630 17.197 36.171 0.044 1.00 53.04 O ATOM 1987 OD2 ASP A 630 18.270 36.842 1.843 1.00 59.29 O ATOM 1988 H ASP A 630 15.606 34.607 2.890 1.00 0.00 H ATOM 1989 N VAL A 631 16.165 31.549 2.522 1.00 37.49 N ATOM 1990 CA VAL A 631 16.322 30.145 2.932 1.00 37.31 C ATOM 1991 C VAL A 631 16.002 29.229 1.758 1.00 39.37 C ATOM 1992 O VAL A 631 16.725 28.261 1.502 1.00 37.58 O ATOM 1993 CB VAL A 631 15.414 29.815 4.164 1.00 41.48 C ATOM 1994 CG1 VAL A 631 15.280 28.303 4.389 1.00 41.27 C ATOM 1995 CG2 VAL A 631 15.933 30.502 5.424 1.00 41.22 C ATOM 1996 H VAL A 631 15.396 32.102 2.952 1.00 0.00 H ATOM 1997 N ILE A 632 14.952 29.591 1.019 1.00 36.24 N ATOM 1998 CA ILE A 632 14.415 28.832 -0.102 1.00 37.32 C ATOM 1999 C ILE A 632 15.471 28.773 -1.208 1.00 37.64 C ATOM 2000 O ILE A 632 15.722 27.698 -1.757 1.00 36.07 O ATOM 2001 CB ILE A 632 13.078 29.475 -0.597 1.00 41.51 C ATOM 2002 CG1 ILE A 632 12.014 29.496 0.544 1.00 42.73 C ATOM 2003 CG2 ILE A 632 12.529 28.736 -1.815 1.00 43.24 C ATOM 2004 CD1 ILE A 632 12.070 30.725 1.575 1.00 37.03 C ATOM 2005 H ILE A 632 14.480 30.485 1.262 1.00 0.00 H ATOM 2006 N GLY A 633 16.082 29.924 -1.492 1.00 32.68 N ATOM 2007 CA GLY A 633 17.119 30.046 -2.509 1.00 31.36 C ATOM 2008 C GLY A 633 18.342 29.203 -2.214 1.00 32.73 C ATOM 2009 O GLY A 633 18.845 28.540 -3.118 1.00 31.99 O ATOM 2010 H GLY A 633 15.805 30.775 -0.962 1.00 0.00 H ATOM 2011 N ARG A 634 18.810 29.190 -0.946 1.00 28.60 N ATOM 2012 CA ARG A 634 19.985 28.396 -0.546 1.00 28.32 C ATOM 2013 C ARG A 634 19.699 26.897 -0.679 1.00 30.03 C ATOM 2014 O ARG A 634 20.512 26.181 -1.254 1.00 28.18 O ATOM 2015 CB ARG A 634 20.437 28.729 0.894 1.00 29.30 C ATOM 2016 CG ARG A 634 21.180 30.059 1.023 1.00 36.97 C ATOM 2017 CD ARG A 634 21.891 30.143 2.359 1.00 52.31 C ATOM 2018 NE ARG A 634 22.451 31.467 2.624 1.00 61.60 N ATOM 2019 CZ ARG A 634 23.245 31.765 3.652 1.00 75.60 C ATOM 2020 NH1 ARG A 634 23.595 30.827 4.529 1.00 59.51 N ATOM 2021 NH2 ARG A 634 23.701 33.003 3.809 1.00 65.68 N ATOM 2022 HE ARG A 634 22.212 32.233 1.962 1.00 0.00 H ATOM 2023 HH12 ARG A 634 24.215 31.068 5.328 1.00 0.00 H ATOM 2024 HH11 ARG A 634 23.248 29.853 4.415 1.00 0.00 H ATOM 2025 HH22 ARG A 634 24.320 33.231 4.613 1.00 0.00 H ATOM 2026 HH21 ARG A 634 23.439 33.744 3.128 1.00 0.00 H ATOM 2027 H ARG A 634 18.323 29.761 -0.226 1.00 0.00 H ATOM 2028 N ILE A 635 18.527 26.441 -0.197 1.00 27.98 N ATOM 2029 CA ILE A 635 18.102 25.031 -0.304 1.00 27.68 C ATOM 2030 C ILE A 635 18.042 24.600 -1.784 1.00 29.48 C ATOM 2031 O ILE A 635 18.539 23.526 -2.119 1.00 27.00 O ATOM 2032 CB ILE A 635 16.740 24.798 0.419 1.00 30.10 C ATOM 2033 CG1 ILE A 635 16.927 24.849 1.942 1.00 30.65 C ATOM 2034 CG2 ILE A 635 16.092 23.463 -0.003 1.00 29.82 C ATOM 2035 CD1 ILE A 635 15.653 25.188 2.714 1.00 44.10 C ATOM 2036 H ILE A 635 17.890 27.115 0.274 1.00 0.00 H ATOM 2037 N GLU A 636 17.443 25.437 -2.653 1.00 26.48 N ATOM 2038 CA GLU A 636 17.338 25.141 -4.091 1.00 27.07 C ATOM 2039 C GLU A 636 18.696 25.128 -4.807 1.00 30.58 C ATOM 2040 O GLU A 636 18.841 24.414 -5.802 1.00 30.15 O ATOM 2041 CB GLU A 636 16.356 26.095 -4.781 1.00 28.87 C ATOM 2042 CG GLU A 636 14.915 25.789 -4.412 1.00 36.72 C ATOM 2043 CD GLU A 636 13.876 26.816 -4.823 1.00 55.14 C ATOM 2044 OE1 GLU A 636 12.681 26.448 -4.857 1.00 51.45 O ATOM 2045 OE2 GLU A 636 14.243 27.984 -5.094 1.00 49.93 O ATOM 2046 H GLU A 636 17.040 26.326 -2.294 1.00 0.00 H ATOM 2047 N ASN A 637 19.710 25.837 -4.259 1.00 26.79 N ATOM 2048 CA ASN A 637 21.086 25.818 -4.776 1.00 25.96 C ATOM 2049 C ASN A 637 21.892 24.604 -4.270 1.00 28.15 C ATOM 2050 O ASN A 637 23.093 24.535 -4.543 1.00 28.28 O ATOM 2051 CB ASN A 637 21.832 27.119 -4.402 1.00 23.31 C ATOM 2052 CG ASN A 637 21.351 28.389 -5.047 1.00 39.80 C ATOM 2053 OD1 ASN A 637 21.736 29.482 -4.633 1.00 40.96 O ATOM 2054 ND2 ASN A 637 20.524 28.323 -6.069 1.00 28.09 N ATOM 2055 HD22 ASN A 637 20.200 27.398 -6.417 1.00 0.00 H ATOM 2056 HD21 ASN A 637 20.194 29.196 -6.529 1.00 0.00 H ATOM 2057 H ASN A 637 19.505 26.427 -3.427 1.00 0.00 H ATOM 2058 N GLY A 638 21.243 23.675 -3.559 1.00 23.47 N ATOM 2059 CA GLY A 638 21.876 22.484 -3.018 1.00 23.25 C ATOM 2060 C GLY A 638 22.548 22.680 -1.670 1.00 27.76 C ATOM 2061 O GLY A 638 23.123 21.726 -1.139 1.00 26.81 O ATOM 2062 H GLY A 638 20.227 23.813 -3.383 1.00 0.00 H ATOM 2063 N GLU A 639 22.493 23.896 -1.085 1.00 24.44 N ATOM 2064 CA GLU A 639 23.137 24.125 0.210 1.00 25.07 C ATOM 2065 C GLU A 639 22.351 23.455 1.318 1.00 27.19 C ATOM 2066 O GLU A 639 21.122 23.351 1.244 1.00 23.65 O ATOM 2067 CB GLU A 639 23.298 25.621 0.525 1.00 27.18 C ATOM 2068 CG GLU A 639 24.162 26.374 -0.474 1.00 36.12 C ATOM 2069 CD GLU A 639 24.372 27.834 -0.124 1.00 63.38 C ATOM 2070 OE1 GLU A 639 24.640 28.129 1.063 1.00 65.24 O ATOM 2071 OE2 GLU A 639 24.279 28.685 -1.038 1.00 63.96 O ATOM 2072 H GLU A 639 21.990 24.674 -1.557 1.00 0.00 H ATOM 2073 N ARG A 640 23.063 22.963 2.335 1.00 24.68 N ATOM 2074 CA ARG A 640 22.428 22.292 3.463 1.00 24.24 C ATOM 2075 C ARG A 640 23.107 22.718 4.738 1.00 27.65 C ATOM 2076 O ARG A 640 24.247 23.176 4.704 1.00 26.88 O ATOM 2077 CB ARG A 640 22.493 20.754 3.285 1.00 24.15 C ATOM 2078 CG ARG A 640 21.646 20.198 2.115 1.00 25.44 C ATOM 2079 CD ARG A 640 20.147 20.321 2.356 1.00 27.55 C ATOM 2080 NE ARG A 640 19.342 19.721 1.283 1.00 25.43 N ATOM 2081 CZ ARG A 640 19.050 20.285 0.111 1.00 35.92 C ATOM 2082 NH1 ARG A 640 19.513 21.495 -0.191 1.00 20.86 N ATOM 2083 NH2 ARG A 640 18.303 19.637 -0.775 1.00 27.00 N ATOM 2084 HE ARG A 640 18.965 18.767 1.454 1.00 0.00 H ATOM 2085 HH12 ARG A 640 19.280 21.927 -1.108 1.00 0.00 H ATOM 2086 HH11 ARG A 640 20.108 22.009 0.490 1.00 0.00 H ATOM 2087 HH22 ARG A 640 18.077 20.080 -1.688 1.00 0.00 H ATOM 2088 HH21 ARG A 640 17.944 18.686 -0.556 1.00 0.00 H ATOM 2089 H ARG A 640 24.098 23.061 2.322 1.00 0.00 H ATOM 2090 N LEU A 641 22.403 22.592 5.875 1.00 24.32 N ATOM 2091 CA LEU A 641 22.987 22.913 7.180 1.00 22.90 C ATOM 2092 C LEU A 641 24.241 22.028 7.330 1.00 28.38 C ATOM 2093 O LEU A 641 24.179 20.854 6.963 1.00 28.18 O ATOM 2094 CB LEU A 641 21.991 22.610 8.305 1.00 22.59 C ATOM 2095 CG LEU A 641 20.765 23.521 8.388 1.00 27.23 C ATOM 2096 CD1 LEU A 641 19.659 22.879 9.213 1.00 27.51 C ATOM 2097 CD2 LEU A 641 21.132 24.888 8.959 1.00 30.04 C ATOM 2098 H LEU A 641 21.419 22.258 5.828 1.00 0.00 H ATOM 2099 N PRO A 642 25.393 22.560 7.787 1.00 26.57 N ATOM 2100 CA PRO A 642 26.621 21.743 7.809 1.00 26.35 C ATOM 2101 C PRO A 642 26.691 20.682 8.897 1.00 28.29 C ATOM 2102 O PRO A 642 25.876 20.680 9.812 1.00 26.95 O ATOM 2103 CB PRO A 642 27.730 22.792 7.988 1.00 28.07 C ATOM 2104 CG PRO A 642 27.078 23.886 8.753 1.00 32.98 C ATOM 2105 CD PRO A 642 25.657 23.942 8.242 1.00 28.49 C ATOM 2106 N MET A 643 27.709 19.798 8.816 1.00 25.18 N ATOM 2107 CA MET A 643 27.889 18.742 9.816 1.00 25.55 C ATOM 2108 C MET A 643 28.183 19.381 11.174 1.00 27.58 C ATOM 2109 O MET A 643 29.174 20.103 11.269 1.00 27.19 O ATOM 2110 CB MET A 643 29.038 17.782 9.431 1.00 28.29 C ATOM 2111 CG MET A 643 29.244 16.668 10.463 1.00 32.61 C ATOM 2112 SD MET A 643 30.075 15.209 9.801 1.00 38.44 S ATOM 2113 CE MET A 643 31.636 15.925 9.369 1.00 35.66 C ATOM 2114 H MET A 643 28.381 19.868 8.025 1.00 0.00 H ATOM 2115 N PRO A 644 27.379 19.152 12.241 1.00 23.21 N ATOM 2116 CA PRO A 644 27.722 19.763 13.537 1.00 22.51 C ATOM 2117 C PRO A 644 29.081 19.313 14.096 1.00 28.05 C ATOM 2118 O PRO A 644 29.421 18.135 13.973 1.00 27.77 O ATOM 2119 CB PRO A 644 26.580 19.304 14.457 1.00 24.26 C ATOM 2120 CG PRO A 644 25.446 18.966 13.525 1.00 28.45 C ATOM 2121 CD PRO A 644 26.135 18.360 12.339 1.00 24.09 C ATOM 2122 N PRO A 645 29.863 20.202 14.751 1.00 26.29 N ATOM 2123 CA PRO A 645 31.142 19.753 15.350 1.00 26.17 C ATOM 2124 C PRO A 645 30.989 18.500 16.217 1.00 30.93 C ATOM 2125 O PRO A 645 30.047 18.412 17.003 1.00 31.20 O ATOM 2126 CB PRO A 645 31.580 20.954 16.196 1.00 27.32 C ATOM 2127 CG PRO A 645 30.941 22.131 15.541 1.00 32.20 C ATOM 2128 CD PRO A 645 29.637 21.645 14.972 1.00 28.01 C ATOM 2129 N ASN A 646 31.870 17.508 16.017 1.00 28.67 N ATOM 2130 CA ASN A 646 31.871 16.246 16.768 1.00 29.26 C ATOM 2131 C ASN A 646 30.622 15.371 16.543 1.00 33.38 C ATOM 2132 O ASN A 646 30.346 14.507 17.369 1.00 33.55 O ATOM 2133 CB ASN A 646 32.087 16.506 18.282 1.00 29.56 C ATOM 2134 CG ASN A 646 33.109 17.575 18.582 1.00 46.86 C ATOM 2135 OD1 ASN A 646 32.810 18.617 19.188 1.00 40.34 O ATOM 2136 ND2 ASN A 646 34.329 17.356 18.135 1.00 34.01 N ATOM 2137 HD22 ASN A 646 34.547 16.473 17.631 1.00 0.00 H ATOM 2138 HD21 ASN A 646 35.073 18.066 18.286 1.00 0.00 H ATOM 2139 H ASN A 646 32.597 17.641 15.285 1.00 0.00 H ATOM 2140 N CYS A 647 29.878 15.563 15.438 1.00 29.95 N ATOM 2141 CA CYS A 647 28.705 14.728 15.145 1.00 27.89 C ATOM 2142 C CYS A 647 29.218 13.524 14.366 1.00 32.19 C ATOM 2143 O CYS A 647 30.002 13.730 13.436 1.00 32.27 O ATOM 2144 CB CYS A 647 27.670 15.506 14.336 1.00 26.87 C ATOM 2145 SG CYS A 647 26.253 14.519 13.790 1.00 30.06 S ATOM 2146 H CYS A 647 30.140 16.321 14.775 1.00 0.00 H ATOM 2147 N PRO A 648 28.803 12.272 14.663 1.00 29.28 N ATOM 2148 CA PRO A 648 29.293 11.153 13.847 1.00 29.38 C ATOM 2149 C PRO A 648 28.845 11.291 12.388 1.00 32.88 C ATOM 2150 O PRO A 648 27.661 11.578 12.164 1.00 32.63 O ATOM 2151 CB PRO A 648 28.663 9.901 14.490 1.00 31.17 C ATOM 2152 CG PRO A 648 27.999 10.329 15.684 1.00 35.54 C ATOM 2153 CD PRO A 648 27.859 11.819 15.700 1.00 31.02 C ATOM 2154 N PRO A 649 29.735 11.073 11.390 1.00 28.93 N ATOM 2155 CA PRO A 649 29.301 11.176 9.986 1.00 27.97 C ATOM 2156 C PRO A 649 28.065 10.334 9.634 1.00 30.78 C ATOM 2157 O PRO A 649 27.260 10.785 8.827 1.00 29.65 O ATOM 2158 CB PRO A 649 30.546 10.746 9.199 1.00 29.63 C ATOM 2159 CG PRO A 649 31.673 11.037 10.086 1.00 33.94 C ATOM 2160 CD PRO A 649 31.183 10.793 11.479 1.00 29.96 C ATOM 2161 N THR A 650 27.881 9.150 10.255 1.00 27.68 N ATOM 2162 CA THR A 650 26.685 8.332 9.990 1.00 28.06 C ATOM 2163 C THR A 650 25.380 9.063 10.412 1.00 30.29 C ATOM 2164 O THR A 650 24.355 8.922 9.744 1.00 29.55 O ATOM 2165 CB THR A 650 26.769 6.989 10.711 1.00 33.51 C ATOM 2166 OG1 THR A 650 27.006 7.238 12.104 1.00 35.53 O ATOM 2167 CG2 THR A 650 27.835 6.071 10.113 1.00 30.65 C ATOM 2168 HG1 THR A 650 27.063 6.376 12.587 1.00 0.00 H ATOM 2169 H THR A 650 28.594 8.810 10.931 1.00 0.00 H ATOM 2170 N LEU A 651 25.424 9.818 11.516 1.00 26.20 N ATOM 2171 CA LEU A 651 24.258 10.551 12.013 1.00 26.57 C ATOM 2172 C LEU A 651 23.978 11.788 11.154 1.00 29.47 C ATOM 2173 O LEU A 651 22.818 12.056 10.838 1.00 28.23 O ATOM 2174 CB LEU A 651 24.459 10.945 13.482 1.00 26.65 C ATOM 2175 CG LEU A 651 23.326 11.721 14.145 1.00 30.93 C ATOM 2176 CD1 LEU A 651 21.986 10.995 14.018 1.00 31.66 C ATOM 2177 CD2 LEU A 651 23.656 11.973 15.583 1.00 32.26 C ATOM 2178 H LEU A 651 26.320 9.887 12.040 1.00 0.00 H ATOM 2179 N TYR A 652 25.030 12.534 10.757 1.00 25.81 N ATOM 2180 CA TYR A 652 24.844 13.678 9.857 1.00 24.70 C ATOM 2181 C TYR A 652 24.338 13.173 8.499 1.00 26.93 C ATOM 2182 O TYR A 652 23.441 13.787 7.921 1.00 24.70 O ATOM 2183 CB TYR A 652 26.143 14.483 9.671 1.00 24.80 C ATOM 2184 CG TYR A 652 25.968 15.636 8.707 1.00 24.45 C ATOM 2185 CD1 TYR A 652 25.012 16.624 8.937 1.00 25.39 C ATOM 2186 CD2 TYR A 652 26.682 15.687 7.516 1.00 24.20 C ATOM 2187 CE1 TYR A 652 24.830 17.677 8.042 1.00 23.76 C ATOM 2188 CE2 TYR A 652 26.509 16.731 6.613 1.00 24.35 C ATOM 2189 CZ TYR A 652 25.570 17.716 6.871 1.00 28.87 C ATOM 2190 OH TYR A 652 25.404 18.730 5.959 1.00 25.66 O ATOM 2191 HH TYR A 652 24.704 19.351 6.281 1.00 0.00 H ATOM 2192 H TYR A 652 25.985 12.295 11.093 1.00 0.00 H ATOM 2193 N SER A 653 24.846 12.015 8.030 1.00 23.83 N ATOM 2194 CA SER A 653 24.385 11.421 6.770 1.00 24.62 C ATOM 2195 C SER A 653 22.878 11.124 6.848 1.00 28.82 C ATOM 2196 O SER A 653 22.158 11.384 5.881 1.00 27.59 O ATOM 2197 CB SER A 653 25.181 10.159 6.443 1.00 29.06 C ATOM 2198 OG SER A 653 24.791 9.599 5.204 1.00 37.93 O ATOM 2199 HG SER A 653 23.831 9.361 5.238 1.00 0.00 H ATOM 2200 H SER A 653 25.585 11.529 8.577 1.00 0.00 H ATOM 2201 N LEU A 654 22.382 10.683 8.024 1.00 25.97 N ATOM 2202 CA LEU A 654 20.947 10.455 8.217 1.00 25.48 C ATOM 2203 C LEU A 654 20.181 11.785 8.125 1.00 25.53 C ATOM 2204 O LEU A 654 19.138 11.840 7.465 1.00 23.73 O ATOM 2205 CB LEU A 654 20.675 9.767 9.566 1.00 26.33 C ATOM 2206 CG LEU A 654 19.274 9.191 9.770 1.00 31.74 C ATOM 2207 CD1 LEU A 654 18.942 8.137 8.709 1.00 31.77 C ATOM 2208 CD2 LEU A 654 19.130 8.623 11.174 1.00 32.66 C ATOM 2209 H LEU A 654 23.035 10.500 8.813 1.00 0.00 H ATOM 2210 N MET A 655 20.717 12.867 8.718 1.00 20.36 N ATOM 2211 CA MET A 655 20.055 14.184 8.630 1.00 19.47 C ATOM 2212 C MET A 655 19.931 14.608 7.165 1.00 24.52 C ATOM 2213 O MET A 655 18.868 15.066 6.764 1.00 24.75 O ATOM 2214 CB MET A 655 20.832 15.282 9.375 1.00 21.23 C ATOM 2215 CG MET A 655 20.913 15.110 10.879 1.00 24.17 C ATOM 2216 SD MET A 655 22.112 16.289 11.554 1.00 27.30 S ATOM 2217 CE MET A 655 22.402 15.557 13.191 1.00 24.26 C ATOM 2218 H MET A 655 21.609 12.775 9.245 1.00 0.00 H ATOM 2219 N THR A 656 21.002 14.443 6.362 1.00 21.49 N ATOM 2220 CA THR A 656 20.966 14.844 4.946 1.00 21.46 C ATOM 2221 C THR A 656 19.933 14.060 4.119 1.00 24.56 C ATOM 2222 O THR A 656 19.419 14.610 3.146 1.00 24.05 O ATOM 2223 CB THR A 656 22.363 14.808 4.295 1.00 27.66 C ATOM 2224 OG1 THR A 656 22.865 13.468 4.197 1.00 25.63 O ATOM 2225 CG2 THR A 656 23.361 15.722 5.012 1.00 24.62 C ATOM 2226 HG1 THR A 656 22.931 13.075 5.103 1.00 0.00 H ATOM 2227 H THR A 656 21.871 14.024 6.751 1.00 0.00 H ATOM 2228 N LYS A 657 19.613 12.805 4.500 1.00 21.31 N ATOM 2229 CA LYS A 657 18.591 12.015 3.802 1.00 20.96 C ATOM 2230 C LYS A 657 17.207 12.613 4.059 1.00 23.50 C ATOM 2231 O LYS A 657 16.364 12.567 3.162 1.00 22.05 O ATOM 2232 CB LYS A 657 18.641 10.528 4.205 1.00 23.26 C ATOM 2233 CG LYS A 657 19.847 9.801 3.626 1.00 37.98 C ATOM 2234 CD LYS A 657 20.002 8.405 4.198 1.00 58.08 C ATOM 2235 CE LYS A 657 18.938 7.422 3.759 1.00 76.83 C ATOM 2236 NZ LYS A 657 19.189 6.063 4.317 1.00 87.10 N ATOM 2237 HZ1 LYS A 657 20.113 5.719 3.986 1.00 0.00 H ATOM 2238 HZ2 LYS A 657 19.187 6.110 5.356 1.00 0.00 H ATOM 2239 HZ3 LYS A 657 18.442 5.415 3.997 1.00 0.00 H ATOM 2240 H LYS A 657 20.106 12.385 5.314 1.00 0.00 H ATOM 2241 N CYS A 658 16.985 13.206 5.261 1.00 21.97 N ATOM 2242 CA CYS A 658 15.736 13.910 5.595 1.00 22.00 C ATOM 2243 C CYS A 658 15.589 15.143 4.718 1.00 26.25 C ATOM 2244 O CYS A 658 14.461 15.581 4.501 1.00 25.87 O ATOM 2245 CB CYS A 658 15.691 14.314 7.068 1.00 22.22 C ATOM 2246 SG CYS A 658 15.810 12.939 8.234 1.00 26.02 S ATOM 2247 H CYS A 658 17.734 13.160 5.981 1.00 0.00 H ATOM 2248 N TRP A 659 16.724 15.758 4.287 1.00 22.86 N ATOM 2249 CA TRP A 659 16.714 16.956 3.462 1.00 21.86 C ATOM 2250 C TRP A 659 16.806 16.696 1.943 1.00 25.59 C ATOM 2251 O TRP A 659 17.341 17.541 1.213 1.00 24.95 O ATOM 2252 CB TRP A 659 17.797 17.945 3.909 1.00 19.76 C ATOM 2253 CG TRP A 659 17.782 18.226 5.377 1.00 20.68 C ATOM 2254 CD1 TRP A 659 16.687 18.398 6.173 1.00 23.48 C ATOM 2255 CD2 TRP A 659 18.923 18.401 6.215 1.00 20.37 C ATOM 2256 NE1 TRP A 659 17.078 18.652 7.463 1.00 22.90 N ATOM 2257 CE2 TRP A 659 18.449 18.679 7.515 1.00 24.31 C ATOM 2258 CE3 TRP A 659 20.309 18.430 5.977 1.00 20.86 C ATOM 2259 CZ2 TRP A 659 19.315 18.933 8.588 1.00 23.07 C ATOM 2260 CZ3 TRP A 659 21.161 18.655 7.039 1.00 21.59 C ATOM 2261 CH2 TRP A 659 20.667 18.893 8.331 1.00 22.14 C ATOM 2262 HE1 TRP A 659 16.439 18.800 8.270 1.00 0.00 H ATOM 2263 H TRP A 659 17.642 15.352 4.560 1.00 0.00 H ATOM 2264 N ALA A 660 16.239 15.581 1.448 1.00 22.55 N ATOM 2265 CA ALA A 660 16.160 15.367 0.003 1.00 22.79 C ATOM 2266 C ALA A 660 15.090 16.351 -0.476 1.00 26.84 C ATOM 2267 O ALA A 660 14.048 16.461 0.179 1.00 23.91 O ATOM 2268 CB ALA A 660 15.720 13.944 -0.317 1.00 23.62 C ATOM 2269 H ALA A 660 15.854 14.866 2.097 1.00 0.00 H ATOM 2270 N TYR A 661 15.346 17.080 -1.582 1.00 25.42 N ATOM 2271 CA TYR A 661 14.382 18.050 -2.116 1.00 26.15 C ATOM 2272 C TYR A 661 13.053 17.378 -2.458 1.00 30.12 C ATOM 2273 O TYR A 661 11.987 17.935 -2.176 1.00 28.09 O ATOM 2274 CB TYR A 661 14.935 18.765 -3.363 1.00 27.71 C ATOM 2275 CG TYR A 661 14.143 20.002 -3.724 1.00 29.20 C ATOM 2276 CD1 TYR A 661 14.447 21.236 -3.163 1.00 31.23 C ATOM 2277 CD2 TYR A 661 13.077 19.937 -4.615 1.00 29.93 C ATOM 2278 CE1 TYR A 661 13.707 22.378 -3.473 1.00 32.74 C ATOM 2279 CE2 TYR A 661 12.320 21.070 -4.925 1.00 30.90 C ATOM 2280 CZ TYR A 661 12.643 22.291 -4.359 1.00 36.83 C ATOM 2281 OH TYR A 661 11.897 23.410 -4.680 1.00 37.66 O ATOM 2282 HH TYR A 661 12.256 24.195 -4.195 1.00 0.00 H ATOM 2283 H TYR A 661 16.254 16.951 -2.071 1.00 0.00 H ATOM 2284 N ASP A 662 13.131 16.182 -3.067 1.00 27.91 N ATOM 2285 CA ASP A 662 11.970 15.393 -3.463 1.00 27.71 C ATOM 2286 C ASP A 662 11.435 14.690 -2.205 1.00 29.71 C ATOM 2287 O ASP A 662 12.161 13.875 -1.636 1.00 28.38 O ATOM 2288 CB ASP A 662 12.379 14.364 -4.539 1.00 29.74 C ATOM 2289 CG ASP A 662 11.238 13.565 -5.153 1.00 37.87 C ATOM 2290 OD1 ASP A 662 10.105 13.635 -4.626 1.00 37.48 O ATOM 2291 OD2 ASP A 662 11.481 12.865 -6.152 1.00 43.64 O ATOM 2292 H ASP A 662 14.076 15.796 -3.268 1.00 0.00 H ATOM 2293 N PRO A 663 10.172 14.939 -1.781 1.00 26.85 N ATOM 2294 CA PRO A 663 9.662 14.265 -0.563 1.00 26.61 C ATOM 2295 C PRO A 663 9.653 12.738 -0.604 1.00 31.10 C ATOM 2296 O PRO A 663 9.872 12.113 0.429 1.00 30.28 O ATOM 2297 CB PRO A 663 8.236 14.820 -0.396 1.00 28.27 C ATOM 2298 CG PRO A 663 8.120 15.957 -1.320 1.00 32.91 C ATOM 2299 CD PRO A 663 9.165 15.846 -2.371 1.00 28.29 C ATOM 2300 N SER A 664 9.415 12.142 -1.776 1.00 28.75 N ATOM 2301 CA SER A 664 9.369 10.680 -1.931 1.00 29.40 C ATOM 2302 C SER A 664 10.737 10.006 -1.735 1.00 32.74 C ATOM 2303 O SER A 664 10.765 8.798 -1.503 1.00 33.08 O ATOM 2304 CB SER A 664 8.808 10.313 -3.302 1.00 32.83 C ATOM 2305 OG SER A 664 9.616 10.855 -4.335 1.00 39.41 O ATOM 2306 HG SER A 664 9.639 11.841 -4.251 1.00 0.00 H ATOM 2307 H SER A 664 9.256 12.737 -2.614 1.00 0.00 H ATOM 2308 N ARG A 665 11.858 10.764 -1.843 1.00 28.42 N ATOM 2309 CA ARG A 665 13.213 10.233 -1.631 1.00 28.09 C ATOM 2310 C ARG A 665 13.637 10.308 -0.151 1.00 31.02 C ATOM 2311 O ARG A 665 14.718 9.831 0.180 1.00 30.71 O ATOM 2312 CB ARG A 665 14.237 10.975 -2.513 1.00 28.18 C ATOM 2313 CG ARG A 665 14.062 10.707 -4.009 1.00 45.87 C ATOM 2314 CD ARG A 665 15.289 10.075 -4.649 1.00 69.79 C ATOM 2315 NE ARG A 665 16.400 11.022 -4.777 1.00 88.67 N ATOM 2316 CZ ARG A 665 17.576 10.745 -5.338 1.00108.79 C ATOM 2317 NH1 ARG A 665 17.820 9.532 -5.830 1.00100.37 N ATOM 2318 NH2 ARG A 665 18.521 11.676 -5.409 1.00 97.71 N ATOM 2319 HE ARG A 665 16.260 11.982 -4.402 1.00 0.00 H ATOM 2320 HH12 ARG A 665 18.741 9.323 -6.266 1.00 0.00 H ATOM 2321 HH11 ARG A 665 17.090 8.793 -5.778 1.00 0.00 H ATOM 2322 HH22 ARG A 665 19.437 11.454 -5.848 1.00 0.00 H ATOM 2323 HH21 ARG A 665 18.344 12.626 -5.026 1.00 0.00 H ATOM 2324 H ARG A 665 11.753 11.769 -2.088 1.00 0.00 H ATOM 2325 N ARG A 666 12.815 10.914 0.734 1.00 26.47 N ATOM 2326 CA ARG A 666 13.138 11.014 2.161 1.00 24.85 C ATOM 2327 C ARG A 666 12.809 9.699 2.858 1.00 27.31 C ATOM 2328 O ARG A 666 11.883 9.006 2.447 1.00 25.72 O ATOM 2329 CB ARG A 666 12.345 12.154 2.832 1.00 22.28 C ATOM 2330 CG ARG A 666 12.726 13.529 2.304 1.00 21.98 C ATOM 2331 CD ARG A 666 11.812 14.625 2.785 1.00 25.46 C ATOM 2332 NE ARG A 666 11.917 15.776 1.893 1.00 27.02 N ATOM 2333 CZ ARG A 666 10.999 16.726 1.752 1.00 35.33 C ATOM 2334 NH1 ARG A 666 9.890 16.704 2.485 1.00 19.61 N ATOM 2335 NH2 ARG A 666 11.178 17.701 0.872 1.00 21.62 N ATOM 2336 HE ARG A 666 12.782 15.859 1.321 1.00 0.00 H ATOM 2337 HH12 ARG A 666 9.175 17.451 2.370 1.00 0.00 H ATOM 2338 HH11 ARG A 666 9.737 15.940 3.174 1.00 0.00 H ATOM 2339 HH22 ARG A 666 10.457 18.443 0.764 1.00 0.00 H ATOM 2340 HH21 ARG A 666 12.039 17.724 0.289 1.00 0.00 H ATOM 2341 H ARG A 666 11.923 11.324 0.391 1.00 0.00 H ATOM 2342 N PRO A 667 13.529 9.352 3.942 1.00 24.87 N ATOM 2343 CA PRO A 667 13.202 8.123 4.668 1.00 25.05 C ATOM 2344 C PRO A 667 11.886 8.271 5.425 1.00 27.97 C ATOM 2345 O PRO A 667 11.408 9.386 5.652 1.00 26.77 O ATOM 2346 CB PRO A 667 14.377 7.971 5.640 1.00 27.02 C ATOM 2347 CG PRO A 667 14.838 9.354 5.883 1.00 30.66 C ATOM 2348 CD PRO A 667 14.642 10.078 4.585 1.00 25.92 C ATOM 2349 N ARG A 668 11.306 7.145 5.805 1.00 23.86 N ATOM 2350 CA ARG A 668 10.076 7.118 6.587 1.00 23.61 C ATOM 2351 C ARG A 668 10.471 7.199 8.058 1.00 25.52 C ATOM 2352 O ARG A 668 11.621 6.906 8.382 1.00 24.51 O ATOM 2353 CB ARG A 668 9.297 5.821 6.304 1.00 27.40 C ATOM 2354 CG ARG A 668 8.763 5.719 4.869 1.00 39.25 C ATOM 2355 CD ARG A 668 7.308 6.153 4.755 1.00 56.72 C ATOM 2356 NE ARG A 668 6.408 5.235 5.458 1.00 76.54 N ATOM 2357 CZ ARG A 668 5.090 5.388 5.569 1.00 99.74 C ATOM 2358 NH1 ARG A 668 4.366 4.498 6.238 1.00 93.17 N ATOM 2359 NH2 ARG A 668 4.484 6.438 5.020 1.00 91.27 N ATOM 2360 HE ARG A 668 6.832 4.398 5.906 1.00 0.00 H ATOM 2361 HH12 ARG A 668 3.337 4.622 6.322 1.00 0.00 H ATOM 2362 HH11 ARG A 668 4.828 3.677 6.678 1.00 0.00 H ATOM 2363 HH22 ARG A 668 3.454 6.550 5.111 1.00 0.00 H ATOM 2364 HH21 ARG A 668 5.040 7.146 4.500 1.00 0.00 H ATOM 2365 H ARG A 668 11.745 6.242 5.535 1.00 0.00 H ATOM 2366 N PHE A 669 9.545 7.586 8.957 1.00 21.55 N ATOM 2367 CA PHE A 669 9.875 7.654 10.386 1.00 21.45 C ATOM 2368 C PHE A 669 10.295 6.289 10.946 1.00 27.37 C ATOM 2369 O PHE A 669 11.208 6.242 11.762 1.00 26.65 O ATOM 2370 CB PHE A 669 8.745 8.294 11.216 1.00 22.14 C ATOM 2371 CG PHE A 669 8.755 9.811 11.150 1.00 22.41 C ATOM 2372 CD1 PHE A 669 9.791 10.539 11.724 1.00 23.68 C ATOM 2373 CD2 PHE A 669 7.705 10.507 10.562 1.00 22.54 C ATOM 2374 CE1 PHE A 669 9.804 11.926 11.667 1.00 23.83 C ATOM 2375 CE2 PHE A 669 7.711 11.902 10.527 1.00 24.76 C ATOM 2376 CZ PHE A 669 8.763 12.601 11.085 1.00 22.98 C ATOM 2377 H PHE A 669 8.589 7.839 8.636 1.00 0.00 H ATOM 2378 N THR A 670 9.685 5.184 10.478 1.00 25.68 N ATOM 2379 CA THR A 670 10.076 3.847 10.932 1.00 26.17 C ATOM 2380 C THR A 670 11.533 3.514 10.550 1.00 30.65 C ATOM 2381 O THR A 670 12.221 2.849 11.325 1.00 30.64 O ATOM 2382 CB THR A 670 9.117 2.787 10.393 1.00 35.54 C ATOM 2383 OG1 THR A 670 9.013 2.939 8.980 1.00 38.82 O ATOM 2384 CG2 THR A 670 7.750 2.874 11.042 1.00 32.46 C ATOM 2385 HG1 THR A 670 8.667 3.843 8.771 1.00 0.00 H ATOM 2386 H THR A 670 8.920 5.281 9.780 1.00 0.00 H ATOM 2387 N GLU A 671 12.003 4.004 9.383 1.00 27.12 N ATOM 2388 CA GLU A 671 13.379 3.792 8.925 1.00 26.74 C ATOM 2389 C GLU A 671 14.329 4.653 9.765 1.00 29.19 C ATOM 2390 O GLU A 671 15.361 4.154 10.193 1.00 27.96 O ATOM 2391 CB GLU A 671 13.519 4.113 7.426 1.00 27.97 C ATOM 2392 CG GLU A 671 12.662 3.223 6.536 1.00 38.12 C ATOM 2393 CD GLU A 671 12.689 3.573 5.059 1.00 61.28 C ATOM 2394 OE1 GLU A 671 12.450 4.753 4.716 1.00 38.59 O ATOM 2395 OE2 GLU A 671 12.933 2.658 4.241 1.00 63.05 O ATOM 2396 H GLU A 671 11.359 4.557 8.782 1.00 0.00 H ATOM 2397 N LEU A 672 13.965 5.929 10.039 1.00 25.19 N ATOM 2398 CA LEU A 672 14.766 6.816 10.899 1.00 25.53 C ATOM 2399 C LEU A 672 14.884 6.245 12.309 1.00 27.86 C ATOM 2400 O LEU A 672 15.962 6.289 12.899 1.00 26.20 O ATOM 2401 CB LEU A 672 14.141 8.224 10.991 1.00 26.02 C ATOM 2402 CG LEU A 672 14.292 9.080 9.762 1.00 30.20 C ATOM 2403 CD1 LEU A 672 13.248 10.176 9.744 1.00 30.04 C ATOM 2404 CD2 LEU A 672 15.679 9.675 9.689 1.00 32.47 C ATOM 2405 H LEU A 672 13.085 6.297 9.625 1.00 0.00 H ATOM 2406 N LYS A 673 13.777 5.685 12.831 1.00 26.11 N ATOM 2407 CA LYS A 673 13.722 5.037 14.152 1.00 25.94 C ATOM 2408 C LYS A 673 14.680 3.839 14.212 1.00 29.35 C ATOM 2409 O LYS A 673 15.425 3.719 15.183 1.00 29.17 O ATOM 2410 CB LYS A 673 12.270 4.604 14.457 1.00 29.17 C ATOM 2411 CG LYS A 673 12.038 3.861 15.769 1.00 35.97 C ATOM 2412 CD LYS A 673 10.552 3.542 15.929 1.00 37.49 C ATOM 2413 CE LYS A 673 10.281 2.466 16.949 1.00 48.77 C ATOM 2414 NZ LYS A 673 8.818 2.249 17.131 1.00 56.67 N ATOM 2415 HZ1 LYS A 673 8.375 3.132 17.455 1.00 0.00 H ATOM 2416 HZ2 LYS A 673 8.396 1.961 16.225 1.00 0.00 H ATOM 2417 HZ3 LYS A 673 8.665 1.503 17.839 1.00 0.00 H ATOM 2418 H LYS A 673 12.905 5.712 12.265 1.00 0.00 H ATOM 2419 N ALA A 674 14.706 2.997 13.165 1.00 26.82 N ATOM 2420 CA ALA A 674 15.598 1.822 13.115 1.00 27.46 C ATOM 2421 C ALA A 674 17.065 2.272 13.010 1.00 30.46 C ATOM 2422 O ALA A 674 17.924 1.736 13.703 1.00 29.56 O ATOM 2423 CB ALA A 674 15.244 0.933 11.924 1.00 28.39 C ATOM 2424 H ALA A 674 14.074 3.180 12.360 1.00 0.00 H ATOM 2425 N GLN A 675 17.343 3.249 12.138 1.00 27.29 N ATOM 2426 CA GLN A 675 18.705 3.763 11.941 1.00 26.44 C ATOM 2427 C GLN A 675 19.249 4.476 13.174 1.00 27.06 C ATOM 2428 O GLN A 675 20.422 4.300 13.498 1.00 25.31 O ATOM 2429 CB GLN A 675 18.784 4.682 10.708 1.00 27.18 C ATOM 2430 CG GLN A 675 18.736 3.902 9.395 1.00 45.35 C ATOM 2431 CD GLN A 675 19.324 4.669 8.240 1.00 68.72 C ATOM 2432 OE1 GLN A 675 18.623 5.021 7.292 1.00 63.14 O ATOM 2433 NE2 GLN A 675 20.629 4.929 8.282 1.00 67.80 N ATOM 2434 HE22 GLN A 675 21.195 4.618 9.097 1.00 0.00 H ATOM 2435 HE21 GLN A 675 21.082 5.443 7.500 1.00 0.00 H ATOM 2436 H GLN A 675 16.567 3.659 11.580 1.00 0.00 H ATOM 2437 N LEU A 676 18.414 5.280 13.860 1.00 23.85 N ATOM 2438 CA LEU A 676 18.845 5.960 15.085 1.00 22.84 C ATOM 2439 C LEU A 676 19.129 4.970 16.205 1.00 28.48 C ATOM 2440 O LEU A 676 20.027 5.215 17.010 1.00 27.90 O ATOM 2441 CB LEU A 676 17.827 7.018 15.543 1.00 22.01 C ATOM 2442 CG LEU A 676 17.827 8.294 14.720 1.00 24.40 C ATOM 2443 CD1 LEU A 676 16.542 9.087 14.946 1.00 23.23 C ATOM 2444 CD2 LEU A 676 19.052 9.159 15.048 1.00 25.64 C ATOM 2445 H LEU A 676 17.444 5.421 13.513 1.00 0.00 H ATOM 2446 N SER A 677 18.392 3.843 16.247 1.00 27.10 N ATOM 2447 CA SER A 677 18.627 2.804 17.242 1.00 28.05 C ATOM 2448 C SER A 677 20.000 2.145 16.976 1.00 31.25 C ATOM 2449 O SER A 677 20.749 1.926 17.916 1.00 29.97 O ATOM 2450 CB SER A 677 17.514 1.758 17.212 1.00 32.57 C ATOM 2451 OG SER A 677 17.738 0.751 18.184 1.00 42.80 O ATOM 2452 HG SER A 677 17.764 1.163 19.084 1.00 0.00 H ATOM 2453 H SER A 677 17.633 3.710 15.549 1.00 0.00 H ATOM 2454 N THR A 678 20.337 1.876 15.698 1.00 28.63 N ATOM 2455 CA THR A 678 21.631 1.290 15.314 1.00 28.36 C ATOM 2456 C THR A 678 22.772 2.240 15.715 1.00 31.70 C ATOM 2457 O THR A 678 23.752 1.787 16.294 1.00 31.11 O ATOM 2458 CB THR A 678 21.637 0.986 13.799 1.00 35.52 C ATOM 2459 OG1 THR A 678 20.615 0.033 13.526 1.00 34.30 O ATOM 2460 CG2 THR A 678 22.982 0.445 13.289 1.00 33.16 C ATOM 2461 HG1 THR A 678 20.792 -0.795 14.038 1.00 0.00 H ATOM 2462 H THR A 678 19.650 2.093 14.948 1.00 0.00 H ATOM 2463 N ILE A 679 22.629 3.552 15.427 1.00 27.91 N ATOM 2464 CA ILE A 679 23.641 4.559 15.777 1.00 28.09 C ATOM 2465 C ILE A 679 23.788 4.664 17.312 1.00 32.99 C ATOM 2466 O ILE A 679 24.912 4.766 17.804 1.00 32.43 O ATOM 2467 CB ILE A 679 23.310 5.931 15.107 1.00 30.89 C ATOM 2468 CG1 ILE A 679 23.474 5.829 13.566 1.00 30.66 C ATOM 2469 CG2 ILE A 679 24.205 7.050 15.643 1.00 30.95 C ATOM 2470 CD1 ILE A 679 22.671 6.821 12.790 1.00 31.01 C ATOM 2471 H ILE A 679 21.766 3.863 14.937 1.00 0.00 H ATOM 2472 N LEU A 680 22.660 4.622 18.056 1.00 29.65 N ATOM 2473 CA LEU A 680 22.663 4.685 19.523 1.00 29.38 C ATOM 2474 C LEU A 680 23.398 3.490 20.107 1.00 34.68 C ATOM 2475 O LEU A 680 24.282 3.673 20.939 1.00 34.07 O ATOM 2476 CB LEU A 680 21.216 4.713 20.068 1.00 29.29 C ATOM 2477 CG LEU A 680 21.050 4.828 21.600 1.00 32.80 C ATOM 2478 CD1 LEU A 680 21.800 6.024 22.158 1.00 32.16 C ATOM 2479 CD2 LEU A 680 19.582 4.907 21.971 1.00 34.25 C ATOM 2480 H LEU A 680 21.746 4.541 17.566 1.00 0.00 H ATOM 2481 N GLU A 681 23.036 2.267 19.675 1.00 33.51 N ATOM 2482 CA GLU A 681 23.686 1.040 20.154 1.00 34.38 C ATOM 2483 C GLU A 681 25.168 0.973 19.779 1.00 40.40 C ATOM 2484 O GLU A 681 25.967 0.432 20.548 1.00 40.54 O ATOM 2485 CB GLU A 681 22.951 -0.215 19.643 1.00 36.16 C ATOM 2486 CG GLU A 681 21.544 -0.394 20.202 1.00 49.10 C ATOM 2487 CD GLU A 681 21.430 -0.397 21.715 1.00 76.35 C ATOM 2488 OE1 GLU A 681 22.064 -1.266 22.357 1.00 82.13 O ATOM 2489 OE2 GLU A 681 20.709 0.472 22.258 1.00 66.11 O ATOM 2490 H GLU A 681 22.269 2.188 18.977 1.00 0.00 H ATOM 2491 N GLU A 682 25.542 1.528 18.618 1.00 38.36 N ATOM 2492 CA GLU A 682 26.945 1.572 18.187 1.00 39.01 C ATOM 2493 C GLU A 682 27.719 2.509 19.132 1.00 44.56 C ATOM 2494 O GLU A 682 28.817 2.160 19.566 1.00 43.48 O ATOM 2495 CB GLU A 682 27.058 2.053 16.728 1.00 40.43 C ATOM 2496 CG GLU A 682 28.321 1.598 16.015 1.00 60.20 C ATOM 2497 CD GLU A 682 28.431 2.048 14.568 1.00 94.16 C ATOM 2498 OE1 GLU A 682 27.383 2.346 13.946 1.00 91.79 O ATOM 2499 OE2 GLU A 682 29.571 2.094 14.051 1.00 93.70 O ATOM 2500 H GLU A 682 24.814 1.942 18.001 1.00 0.00 H ATOM 2501 N GLU A 683 27.114 3.666 19.501 1.00 42.36 N ATOM 2502 CA GLU A 683 27.739 4.615 20.427 1.00 43.55 C ATOM 2503 C GLU A 683 27.831 4.029 21.842 1.00 49.52 C ATOM 2504 O GLU A 683 28.868 4.183 22.485 1.00 49.19 O ATOM 2505 CB GLU A 683 26.983 5.964 20.432 1.00 45.09 C ATOM 2506 CG GLU A 683 27.578 7.030 21.346 1.00 56.37 C ATOM 2507 CD GLU A 683 29.017 7.425 21.077 1.00 73.01 C ATOM 2508 OE1 GLU A 683 29.694 7.862 22.034 1.00 64.06 O ATOM 2509 OE2 GLU A 683 29.469 7.307 19.915 1.00 65.88 O ATOM 2510 H GLU A 683 26.175 3.887 19.114 1.00 0.00 H ATOM 2511 N LYS A 684 26.768 3.351 22.317 1.00 47.87 N ATOM 2512 CA LYS A 684 26.769 2.720 23.645 1.00 49.00 C ATOM 2513 C LYS A 684 27.790 1.568 23.729 1.00 56.55 C ATOM 2514 O LYS A 684 28.388 1.370 24.787 1.00 55.87 O ATOM 2515 CB LYS A 684 25.362 2.224 24.034 1.00 51.17 C ATOM 2516 CG LYS A 684 24.395 3.351 24.386 1.00 63.34 C ATOM 2517 CD LYS A 684 23.014 2.831 24.775 1.00 71.55 C ATOM 2518 CE LYS A 684 22.882 2.602 26.260 1.00 79.01 C ATOM 2519 NZ LYS A 684 21.628 1.875 26.600 1.00 88.15 N ATOM 2520 HZ1 LYS A 684 20.809 2.431 26.281 1.00 0.00 H ATOM 2521 HZ2 LYS A 684 21.626 0.950 26.126 1.00 0.00 H ATOM 2522 HZ3 LYS A 684 21.576 1.738 27.630 1.00 0.00 H ATOM 2523 H LYS A 684 25.917 3.271 21.724 1.00 0.00 H ATOM 2524 N ALA A 685 28.005 0.831 22.620 1.00 56.15 N ATOM 2525 CA ALA A 685 28.986 -0.260 22.569 1.00 57.43 C ATOM 2526 C ALA A 685 30.430 0.264 22.680 1.00 64.54 C ATOM 2527 O ALA A 685 31.292 -0.457 23.191 1.00 63.83 O ATOM 2528 CB ALA A 685 28.824 -1.063 21.285 1.00 58.24 C ATOM 2529 H ALA A 685 27.453 1.045 21.765 1.00 0.00 H ATOM 2530 N GLN A 686 30.694 1.505 22.203 1.00 63.82 N ATOM 2531 CA GLN A 686 32.024 2.127 22.302 1.00 65.33 C ATOM 2532 C GLN A 686 32.391 2.457 23.761 1.00 69.89 C ATOM 2533 O GLN A 686 33.580 2.509 24.077 1.00 69.89 O ATOM 2534 CB GLN A 686 32.154 3.379 21.400 1.00 67.31 C ATOM 2535 CG GLN A 686 32.864 3.118 20.065 1.00 95.19 C ATOM 2536 CD GLN A 686 32.047 2.297 19.094 1.00121.50 C ATOM 2537 OE1 GLN A 686 31.369 2.837 18.212 1.00117.66 O ATOM 2538 NE2 GLN A 686 32.119 0.975 19.195 1.00118.14 N ATOM 2539 HE22 GLN A 686 32.695 0.541 19.944 1.00 0.00 H ATOM 2540 HE21 GLN A 686 31.599 0.373 18.525 1.00 0.00 H ATOM 2541 H GLN A 686 29.926 2.039 21.749 1.00 0.00 H ATOM 2542 N GLN A 687 31.385 2.654 24.642 1.00 66.30 N ATOM 2543 CA GLN A 687 31.602 2.902 26.071 1.00 66.20 C ATOM 2544 C GLN A 687 31.695 1.553 26.812 1.00 70.01 C ATOM 2545 O GLN A 687 32.492 1.438 27.735 1.00 69.99 O ATOM 2546 CB GLN A 687 30.482 3.776 26.662 1.00 67.89 C ATOM 2547 CG GLN A 687 30.220 5.088 25.900 1.00 84.93 C ATOM 2548 CD GLN A 687 31.433 5.979 25.776 1.00102.83 C ATOM 2549 OE1 GLN A 687 31.950 6.215 24.677 1.00 97.73 O ATOM 2550 NE2 GLN A 687 31.908 6.504 26.897 1.00 93.74 N ATOM 2551 HE22 GLN A 687 31.452 6.287 27.806 1.00 0.00 H ATOM 2552 HE21 GLN A 687 32.736 7.132 26.867 1.00 0.00 H ATOM 2553 H GLN A 687 30.407 2.628 24.288 1.00 0.00 H ATOM 2554 N GLU A 688 30.898 0.540 26.393 1.00 66.11 N ATOM 2555 CA GLU A 688 30.898 -0.826 26.943 1.00 86.46 C ATOM 2556 C GLU A 688 29.988 -1.719 26.091 1.00121.83 C ATOM 2557 O GLU A 688 30.471 -2.509 25.283 1.00 88.01 O ATOM 2558 CB GLU A 688 30.408 -0.863 28.415 1.00 87.65 C ATOM 2559 CG GLU A 688 31.436 -0.793 29.549 1.00 96.26 C ATOM 2560 CD GLU A 688 32.788 -1.482 29.436 1.00113.68 C ATOM 2561 OE1 GLU A 688 33.531 -1.218 28.464 1.00105.82 O ATOM 2562 OE2 GLU A 688 33.133 -2.241 30.370 1.00105.58 O ATOM 2563 H GLU A 688 30.232 0.744 25.620 1.00 0.00 H TER 2564 GLU A 688 HETATM 2565 O HOH 1 -1.860 26.954 23.128 1.00 31.20 O HETATM 2566 O HOH 2 6.965 5.161 8.924 1.00 39.99 O HETATM 2567 O HOH 3 -3.432 21.092 25.615 1.00 23.41 O HETATM 2568 O HOH 4 -2.168 27.552 19.822 1.00 33.62 O HETATM 2569 O HOH 5 18.099 25.116 18.373 1.00 19.82 O HETATM 2570 O HOH 6 2.535 8.486 6.251 1.00 31.07 O HETATM 2571 O HOH 7 9.766 15.827 34.573 1.00 24.97 O HETATM 2572 O HOH 8 -1.643 17.689 6.149 1.00 26.60 O HETATM 2573 O HOH 9 15.201 32.529 -1.758 1.00 31.51 O HETATM 2574 O HOH 10 13.533 25.574 5.064 1.00 30.61 O HETATM 2575 O HOH 11 9.125 9.880 1.688 1.00 36.62 O HETATM 2576 O HOH 12 7.293 14.748 32.609 1.00 31.77 O HETATM 2577 O HOH 13 23.032 19.284 -2.238 1.00 28.55 O HETATM 2578 O HOH 14 4.388 12.859 10.690 1.00 30.61 O HETATM 2579 O HOH 15 10.900 28.458 -4.878 1.00 35.58 O HETATM 2580 O HOH 16 -2.131 23.658 3.281 1.00 33.94 O HETATM 2581 O HOH 17 33.633 -4.686 29.374 1.00 47.03 O HETATM 2582 O HOH 18 26.825 23.942 4.736 1.00 41.81 O HETATM 2583 O HOH 19 -5.457 26.212 18.361 1.00 45.57 O HETATM 2584 O HOH 20 8.620 29.900 -2.223 1.00 44.86 O HETATM 2585 O HOH 21 24.807 25.871 22.525 1.00 32.68 O HETATM 2586 O HOH 22 23.752 6.793 8.201 1.00 29.57 O HETATM 2587 O HOH 23 -2.827 5.371 21.191 1.00 35.99 O HETATM 2588 O HOH 24 5.441 16.474 1.414 1.00 28.04 O HETATM 2589 O HOH 25 22.753 28.670 12.408 1.00 31.42 O HETATM 2590 O HOH 26 24.323 19.731 24.607 1.00 27.23 O HETATM 2591 O HOH 27 -7.503 24.448 18.685 1.00 41.89 O HETATM 2592 O HOH 28 27.018 24.679 18.743 1.00 39.65 O HETATM 2593 O HOH 29 7.193 4.422 17.769 1.00 32.95 O HETATM 2594 O HOH 30 15.683 23.665 30.125 1.00 25.31 O HETATM 2595 O HOH 31 19.052 32.638 -1.152 1.00 42.35 O HETATM 2596 O HOH 32 7.324 8.461 7.525 1.00 31.46 O HETATM 2597 O HOH 33 5.511 19.308 8.076 1.00 32.06 O HETATM 2598 O HOH 34 -6.384 27.318 41.920 1.00 58.19 O HETATM 2599 O HOH 35 3.524 15.696 35.516 1.00 35.70 O HETATM 2600 O HOH 36 26.241 20.781 33.158 1.00 37.31 O HETATM 2601 O HOH 37 -7.513 30.991 31.967 1.00 33.41 O HETATM 2602 O HOH 38 18.292 1.584 20.706 1.00 51.38 O HETATM 2603 O HOH 39 17.747 -0.937 14.140 1.00 37.67 O HETATM 2604 O HOH 40 -0.342 13.015 24.690 1.00 26.64 O HETATM 2605 O HOH 41 -13.835 22.555 17.868 1.00 39.90 O HETATM 2606 O HOH 42 17.078 10.827 1.086 1.00 44.69 O HETATM 2607 O HOH 43 17.166 13.530 35.363 1.00 28.02 O HETATM 2608 O HOH 44 27.484 5.401 14.052 1.00 37.17 O HETATM 2609 O HOH 45 28.036 20.490 17.764 1.00 30.65 O HETATM 2610 O HOH 46 -14.099 22.110 37.647 1.00 32.47 O HETATM 2611 O HOH 47 9.924 19.815 -2.291 1.00 26.97 O HETATM 2612 O HOH 48 -1.838 29.223 27.503 1.00 26.01 O HETATM 2613 O HOH 49 5.459 18.742 -6.602 1.00 31.62 O HETATM 2614 O HOH 50 21.006 28.857 27.825 1.00 60.57 O HETATM 2615 O HOH 51 -5.998 12.225 33.877 1.00 53.89 O HETATM 2616 O HOH 52 7.241 21.525 6.668 1.00 34.73 O HETATM 2617 O HOH 53 -12.559 33.442 18.123 1.00 56.70 O HETATM 2618 O HOH 54 19.808 36.461 4.067 1.00 39.28 O HETATM 2619 O HOH 55 7.896 8.677 29.540 1.00 44.38 O HETATM 2620 O HOH 56 10.229 26.996 23.543 1.00 45.10 O HETATM 2621 O HOH 57 -6.374 21.552 18.468 1.00 45.44 O HETATM 2622 O HOH 58 28.577 9.063 24.219 1.00 36.53 O HETATM 2623 O HOH 59 11.868 2.165 22.129 1.00 53.54 O HETATM 2624 O HOH 60 25.108 18.141 3.307 1.00 29.67 O HETATM 2625 O HOH 61 5.231 22.744 40.294 1.00 34.58 O HETATM 2626 O HOH 62 24.403 -0.866 16.192 1.00 54.31 O HETATM 2627 O HOH 63 -7.198 33.902 25.350 1.00 31.95 O HETATM 2628 O HOH 64 9.849 33.909 3.673 1.00 39.45 O HETATM 2629 O HOH 65 25.099 26.129 -5.502 1.00 22.47 O HETATM 2630 O HOH 66 -20.654 26.066 29.148 1.00 44.46 O HETATM 2631 O HOH 67 17.859 31.517 12.764 1.00 28.59 O HETATM 2632 O HOH 68 13.792 25.359 17.555 1.00 18.79 O HETATM 2633 O HOH 69 4.758 5.050 11.544 1.00 33.53 O HETATM 2634 O HOH 70 26.775 26.404 20.774 1.00 43.12 O HETATM 2635 O HOH 71 4.133 11.240 28.453 1.00 24.54 O HETATM 2636 O HOH 72 32.505 14.779 13.014 1.00 38.84 O HETATM 2637 O HOH 73 -18.240 33.177 29.991 1.00 41.95 O HETATM 2638 O HOH 74 14.284 27.946 28.920 1.00 47.53 O HETATM 2639 O HOH 75 0.863 31.918 41.216 1.00 51.09 O HETATM 2640 O HOH 76 -4.719 11.782 14.110 1.00 50.33 O HETATM 2641 O HOH 77 -7.574 40.147 26.950 1.00 57.93 O HETATM 2642 O HOH 78 -1.966 18.662 10.453 1.00 45.68 O HETATM 2643 O HOH 79 17.800 13.001 -3.099 1.00 38.88 O HETATM 2644 O HOH 80 11.675 33.493 -1.166 1.00 49.73 O HETATM 2645 O HOH 81 -18.196 23.986 31.483 1.00 43.15 O HETATM 2646 O HOH 82 -5.017 8.389 18.541 1.00 59.47 O HETATM 2647 O HOH 83 26.078 26.522 25.144 1.00 44.36 O HETATM 2648 O HOH 84 -6.292 39.411 23.958 1.00 49.99 O HETATM 2649 O HOH 85 5.105 19.269 20.046 1.00 23.22 O HETATM 2650 O HOH 86 6.755 9.807 5.228 1.00 32.10 O HETATM 2651 O HOH 87 9.244 10.569 4.403 1.00 26.31 O HETATM 2652 O HOH 88 0.276 28.651 21.155 1.00 51.28 O HETATM 2653 O HOH 89 1.269 10.962 25.486 1.00 25.18 O HETATM 2654 O HOH 90 18.208 20.790 -3.287 1.00 31.48 O HETATM 2655 O HOH 91 13.524 24.059 23.525 1.00 25.59 O HETATM 2656 O HOH 92 -3.021 12.770 26.682 1.00 27.62 O HETATM 2657 O HOH 93 5.534 15.541 40.406 1.00 53.40 O HETATM 2658 O HOH 94 19.803 21.677 5.610 1.00 22.65 O HETATM 2659 O HOH 95 14.887 23.918 6.596 1.00 26.10 O HETATM 2660 O HOH 96 20.521 0.656 10.820 1.00 53.62 O HETATM 2661 O HOH 97 -13.705 22.469 21.988 1.00 36.30 O HETATM 2662 O HOH 98 20.849 29.882 18.059 1.00 35.62 O HETATM 2663 O HOH 99 6.894 16.827 -4.630 1.00 45.94 O HETATM 2664 O HOH 100 -9.729 16.044 40.352 1.00 43.83 O HETATM 2665 O HOH 101 11.949 5.236 25.712 1.00 45.52 O HETATM 2666 O HOH 102 32.752 -2.627 22.220 1.00 65.69 O HETATM 2667 O HOH 103 3.569 13.811 13.119 1.00 37.90 O HETATM 2668 O HOH 104 -14.452 29.179 17.551 1.00 51.59 O HETATM 2669 O HOH 105 25.903 27.909 -3.181 1.00 34.59 O HETATM 2670 O HOH 106 27.349 5.691 16.779 1.00 48.52 O HETATM 2671 O HOH 107 4.616 13.618 45.585 1.00 46.06 O HETATM 2672 O HOH 108 2.037 11.837 9.799 1.00 34.75 O HETATM 2673 O HOH 109 -12.097 37.301 29.904 1.00 57.00 O HETATM 2674 O HOH 110 30.169 19.186 20.351 1.00 52.59 O HETATM 2675 O HOH 111 4.672 15.364 -0.894 1.00 27.80 O HETATM 2676 O HOH 112 20.869 22.931 -7.083 1.00 43.29 O HETATM 2677 O HOH 113 14.098 28.760 33.731 1.00 50.85 O HETATM 2678 O HOH 114 28.115 22.733 29.810 1.00 31.35 O HETATM 2679 O HOH 115 9.176 29.382 27.654 1.00 37.28 O HETATM 2680 O HOH 116 17.908 16.776 -2.752 1.00 27.79 O HETATM 2681 O HOH 117 12.962 37.383 4.891 1.00 46.32 O HETATM 2682 O HOH 118 6.635 26.862 16.096 1.00 62.65 O HETATM 2683 O HOH 119 11.592 0.792 13.185 1.00 38.71 O HETATM 2684 O HOH 120 26.405 25.782 32.163 1.00 49.52 O HETATM 2685 O HOH 121 27.658 17.096 17.916 1.00 34.30 O HETATM 2686 O HOH 122 26.541 18.144 24.847 1.00 27.51 O HETATM 2687 O HOH 123 9.434 36.304 7.777 1.00 57.50 O HETATM 2688 O HOH 124 20.535 16.801 1.699 1.00 28.93 O HETATM 2689 O HOH 125 -2.567 20.805 22.071 1.00 28.56 O HETATM 2690 O HOH 126 -5.884 32.177 35.169 1.00 40.07 O HETATM 2691 O HOH 127 20.996 -2.654 14.454 1.00 54.43 O HETATM 2692 O HOH 128 -3.924 3.436 25.099 1.00 57.69 O HETATM 2693 O HOH 129 -16.660 30.865 36.327 1.00 54.19 O HETATM 2694 O HOH 130 29.653 22.933 11.503 1.00 37.37 O HETATM 2695 O HOH 131 15.456 7.408 -1.203 1.00 47.36 O HETATM 2696 O HOH 132 13.595 25.699 30.200 1.00 36.19 O HETATM 2697 O HOH 133 6.230 27.560 40.937 1.00 36.16 O HETATM 2698 O HOH 134 -1.928 33.469 33.815 1.00 49.86 O HETATM 2699 O HOH 135 -3.038 10.095 27.211 1.00 43.58 O HETATM 2700 O HOH 136 21.904 3.429 11.148 1.00 31.80 O HETATM 2701 O HOH 137 -0.419 21.861 -1.591 1.00 29.09 O HETATM 2702 O HOH 138 12.099 30.766 10.167 1.00 27.16 O HETATM 2703 O HOH 139 0.110 8.531 8.031 1.00 43.97 O HETATM 2704 O HOH 140 4.919 28.303 23.245 1.00 45.19 O HETATM 2705 O HOH 141 -4.985 6.634 22.221 1.00 44.23 O HETATM 2706 O HOH 142 -2.878 11.363 31.979 1.00 50.10 O HETATM 2707 O HOH 143 -1.914 35.073 30.836 1.00 52.28 O HETATM 2708 O HOH 144 -14.253 27.252 38.170 1.00 48.71 O HETATM 2709 O HOH 145 30.589 19.610 23.384 1.00 49.74 O HETATM 2710 O HOH 146 8.943 22.256 -3.493 1.00 33.65 O HETATM 2711 O HOH 147 4.453 29.347 2.919 1.00 40.01 O HETATM 2712 O HOH 148 6.074 33.993 37.251 1.00 45.54 O HETATM 2713 O HOH 149 31.974 19.130 11.659 1.00 34.68 O HETATM 2714 O HOH 150 -4.289 22.479 46.121 1.00 45.56 O HETATM 2715 O HOH 151 -11.404 31.843 30.680 1.00 31.73 O HETATM 2716 O HOH 152 22.446 12.335 1.437 1.00 51.13 O HETATM 2717 O HOH 153 7.040 3.717 20.375 1.00 36.75 O HETATM 2718 O HOH 154 -7.402 34.840 22.791 1.00 46.86 O HETATM 2719 O HOH 155 -6.737 13.300 37.501 1.00 46.57 O HETATM 2720 O HOH 156 18.677 -1.728 16.729 1.00 39.37 O HETATM 2721 O HOH 157 2.452 12.293 42.284 1.00 48.28 O HETATM 2722 O HOH 158 4.240 11.914 2.666 1.00 58.06 O HETATM 2723 O HOH 159 -8.561 14.153 35.559 1.00 54.84 O HETATM 2724 O HOH 160 7.967 10.078 32.149 1.00 41.19 O HETATM 2725 O HOH 161 23.157 27.557 9.949 1.00 41.76 O HETATM 2726 O HOH 162 31.102 15.693 28.887 1.00 68.65 O HETATM 2727 O HOH 163 -3.012 16.040 10.987 1.00 38.09 O HETATM 2728 O HOH 164 13.676 37.500 7.585 1.00 41.71 O HETATM 2729 O HOH 165 15.616 14.670 -4.060 1.00 30.58 O HETATM 2730 O HOH 166 6.977 30.147 25.734 1.00 36.72 O HETATM 2731 O HOH 167 -2.004 29.097 24.789 1.00 29.55 O HETATM 2732 O HOH 168 30.697 12.350 24.160 1.00 40.27 O HETATM 2733 O HOH 169 5.058 13.129 42.171 1.00 52.83 O HETATM 2734 O HOH 170 25.999 23.898 1.984 1.00 28.76 O HETATM 2735 O HOH 171 30.080 7.693 12.110 1.00 49.61 O HETATM 2736 O HOH 172 -18.989 22.918 18.444 1.00 42.33 O HETATM 2737 O HOH 173 7.037 14.127 -5.033 1.00 50.30 O HETATM 2738 O HOH 174 33.891 17.781 29.905 1.00 63.48 O HETATM 2739 O HOH 175 -4.631 10.415 49.001 1.00 60.49 O HETATM 2740 O HOH 176 -3.744 6.240 5.627 1.00 43.60 O HETATM 2741 O HOH 177 -0.583 17.835 46.667 1.00 42.98 O HETATM 2742 O HOH 178 -19.369 35.885 29.110 1.00 77.59 O HETATM 2743 O HOH 179 14.991 27.329 25.461 1.00 26.06 O HETATM 2744 O HOH 180 -8.264 13.974 48.731 1.00 49.40 O HETATM 2745 O HOH 181 20.347 4.805 26.314 1.00 50.76 O HETATM 2746 O HOH 182 21.415 34.690 2.253 1.00 70.45 O HETATM 2747 O HOH 183 13.257 29.028 20.568 1.00 42.04 O HETATM 2748 O HOH 184 8.088 32.911 30.998 1.00 44.30 O HETATM 2749 O HOH 185 23.527 27.229 3.996 1.00 52.12 O HETATM 2750 O HOH 186 26.294 30.925 0.745 1.00 60.73 O HETATM 2751 O HOH 187 28.611 16.947 20.481 1.00 50.15 O HETATM 2752 O HOH 188 18.235 24.413 31.246 1.00 34.13 O HETATM 2753 O HOH 189 17.268 34.122 -2.571 1.00 48.17 O HETATM 2754 O HOH 190 3.982 31.119 16.528 1.00 67.71 O HETATM 2755 O HOH 191 10.104 30.954 19.141 1.00 56.86 O HETATM 2756 O HOH 192 17.149 28.992 25.257 1.00 39.15 O HETATM 2757 O HOH 193 8.127 24.785 14.356 1.00 49.05 O HETATM 2758 O HOH 194 35.349 18.739 15.255 1.00 55.80 O HETATM 2759 O HOH 195 2.280 15.165 48.742 1.00 41.76 O HETATM 2760 O HOH 196 18.855 2.961 24.995 1.00 49.93 O HETATM 2761 O HOH 197 22.236 7.577 6.149 1.00 48.50 O HETATM 2762 O HOH 198 4.321 25.382 9.503 1.00 60.77 O HETATM 2763 O HOH 199 22.240 6.735 26.004 1.00 40.47 O HETATM 2764 O HOH 200 -6.909 33.803 32.588 1.00 51.78 O HETATM 2765 O HOH 201 -12.490 37.545 22.490 1.00 47.97 O HETATM 2766 O HOH 202 28.562 7.703 7.074 1.00 45.55 O HETATM 2767 O HOH 203 17.257 22.247 6.233 1.00 36.56 O HETATM 2768 O HOH 204 23.850 28.367 28.482 1.00 43.28 O HETATM 2769 O HOH 205 -13.075 38.750 25.954 1.00 47.26 O HETATM 2770 O HOH 206 9.757 4.661 23.442 1.00 65.18 O HETATM 2771 O HOH 207 19.431 13.115 -0.151 1.00 60.46 O HETATM 2772 O HOH 208 4.697 25.126 41.469 1.00 40.90 O HETATM 2773 O HOH 209 -15.851 20.598 39.082 1.00 54.99 O HETATM 2774 O HOH 210 8.751 28.013 -6.498 1.00 45.34 O HETATM 2775 O HOH 211 5.966 28.954 -5.675 1.00 45.32 O HETATM 2776 O HOH 212 -3.700 21.520 18.982 1.00 44.83 O HETATM 2777 O HOH 213 31.900 21.279 21.658 1.00 67.24 O HETATM 2778 O HOH 214 18.160 -0.716 10.781 1.00 55.07 O HETATM 2779 O HOH 215 13.307 26.978 23.338 1.00 38.28 O HETATM 2780 O HOH 216 4.774 3.258 16.198 1.00 49.62 O HETATM 2781 O HOH 217 12.270 7.283 29.206 1.00 50.18 O HETATM 2782 O HOH 218 5.144 2.816 13.082 1.00 58.49 O HETATM 2783 O HOH 219 -11.487 8.744 31.083 1.00 58.13 O HETATM 2784 O HOH 220 15.513 6.043 2.767 1.00 57.99 O HETATM 2785 O HOH 221 3.468 31.819 21.329 1.00 59.96 O HETATM 2786 O HOH 222 -18.692 21.856 34.422 1.00 51.56 O HETATM 2787 O HOH 223 14.199 31.893 -4.269 1.00 41.61 O HETATM 2788 O HOH 224 19.859 15.638 -1.088 1.00 38.37 O HETATM 2789 O HOH 225 9.151 25.182 -7.220 1.00 47.45 O HETATM 2790 O HOH 226 26.866 5.622 26.886 1.00 56.76 O HETATM 2791 O HOH 227 2.598 3.973 9.962 1.00 53.91 O HETATM 2792 O HOH 228 31.394 17.452 24.856 1.00 49.52 O HETATM 2793 O HOH 229 10.445 17.392 -6.105 1.00 46.95 O HETATM 2794 O HOH 230 -8.676 9.762 32.607 1.00 62.31 O HETATM 2795 O HOH 231 8.766 18.821 -4.523 1.00 42.33 O HETATM 2796 O HOH 232 11.593 31.062 -4.513 1.00 48.42 O HETATM 2797 O HOH 233 0.487 2.413 10.666 1.00 48.68 O HETATM 2798 O HOH 234 15.216 31.846 14.125 1.00 35.48 O HETATM 2799 O HOH 235 -4.554 19.680 15.414 1.00 55.72 O HETATM 2800 O HOH 236 13.667 28.059 17.887 1.00 35.51 O HETATM 2801 O HOH 237 5.810 31.717 3.024 1.00 51.15 O HETATM 2802 O HOH 238 24.342 27.339 -7.829 1.00 27.04 O HETATM 2803 O HOH 239 14.372 0.124 8.656 1.00 50.81 O HETATM 2804 O HOH 240 -12.750 21.795 15.065 1.00 51.49 O HETATM 2805 O HOH 241 10.115 26.640 14.849 1.00 43.03 O HETATM 2806 O HOH 242 -6.441 32.873 37.776 1.00 56.81 O HETATM 2807 O HOH 243 18.626 2.418 1.572 1.00 64.31 O HETATM 2808 O HOH 244 -3.629 11.565 35.086 1.00 58.48 O HETATM 2809 O HOH 245 -15.991 21.826 41.599 1.00 49.62 O HETATM 2810 O HOH 246 31.612 12.994 26.665 1.00 63.68 O HETATM 2811 O HOH 247 33.954 13.899 10.760 1.00 44.41 O HETATM 2812 O HOH 248 25.357 29.422 13.936 1.00 52.37 O HETATM 2813 O HOH 249 2.202 13.319 35.123 1.00 42.97 O HETATM 2814 O HOH 250 32.347 14.625 22.113 1.00 50.73 O HETATM 2815 O HOH 251 8.091 20.406 -6.654 1.00 46.13 O HETATM 2816 O HOH 252 16.333 3.170 23.969 1.00 52.80 O HETATM 2817 O HOH 253 20.022 21.591 33.362 1.00 55.63 O HETATM 2818 O HOH 254 0.186 35.838 9.797 1.00 54.95 O HETATM 2819 O HOH 255 0.189 11.687 35.938 1.00 49.45 O HETATM 2820 O HOH 256 13.051 -1.561 -1.420 1.00 60.90 O HETATM 2821 C5 H A 82 5.258 22.849 29.052 1.00 0.23 C HETATM 2822 C6 H A 82 4.472 21.702 29.310 1.00 0.11 C HETATM 2823 C7 H A 82 5.027 20.836 30.241 1.00 0.04 C HETATM 2824 N8 H A 82 6.184 21.064 30.876 1.00 -0.22 N HETATM 2825 C3 H A 82 6.816 22.202 30.548 1.00 0.23 C HETATM 2826 N2 H A 82 7.931 22.489 31.281 1.00 -0.23 N HETATM 2827 C33 H A 82 8.708 23.666 31.362 1.00 0.11 C HETATM 2828 C32 H A 82 9.267 24.007 32.616 1.00 0.12 C HETATM 2829 C31 H A 82 10.011 25.170 32.761 1.00 -0.02 C HETATM 2830 C30 H A 82 10.227 25.999 31.662 1.00 0.03 C HETATM 2831 C29 H A 82 9.678 25.660 30.425 1.00 -0.06 C HETATM 2832 C34 H A 82 8.933 24.506 30.271 1.00 -0.04 C HETATM 2833 H26 H A 82 8.523 24.253 29.300 1.00 0.05 H HETATM 2834 H24 H A 82 9.838 26.311 29.573 1.00 0.06 H HETATM 2835 C37 H A 82 11.085 27.215 31.832 1.00 0.20 C HETATM 2836 N27 H A 82 10.719 28.331 31.178 1.00 -0.28 N HETATM 2837 C25 H A 82 11.450 29.594 31.305 1.00 0.05 C HETATM 2838 C24 H A 82 10.709 30.542 32.228 1.00 0.01 C HETATM 2839 C23 H A 82 11.442 31.878 32.336 1.00 -0.03 C HETATM 2840 N22 H A 82 11.593 32.487 30.980 1.00 0.23 N HETATM 2841 C28 H A 82 12.199 33.846 31.057 1.00 -0.04 C HETATM 2842 H9 H A 82 12.295 34.263 30.044 1.00 0.08 H HETATM 2843 H10 H A 82 13.194 33.778 31.521 1.00 0.08 H HETATM 2844 H11 H A 82 11.556 34.501 31.663 1.00 0.08 H HETATM 2845 C1 H A 82 12.383 31.583 30.089 1.00 -0.03 C HETATM 2846 C26 H A 82 11.673 30.237 29.947 1.00 0.01 C HETATM 2847 H7 H A 82 12.290 29.568 29.329 1.00 0.03 H HETATM 2848 H8 H A 82 10.700 30.393 29.459 1.00 0.03 H HETATM 2849 H12 H A 82 12.485 32.047 29.097 1.00 0.08 H HETATM 2850 H13 H A 82 13.381 31.424 30.524 1.00 0.08 H HETATM 2851 H19 H A 82 10.672 32.586 30.581 1.00 0.20 H HETATM 2852 H20 H A 82 12.437 31.713 32.775 1.00 0.08 H HETATM 2853 H21 H A 82 10.866 32.559 32.979 1.00 0.08 H HETATM 2854 H5 H A 82 9.698 30.716 31.830 1.00 0.03 H HETATM 2855 H6 H A 82 10.636 30.089 33.228 1.00 0.03 H HETATM 2856 H22 H A 82 12.434 29.379 31.748 1.00 0.06 H HETATM 2857 H23 H A 82 9.917 28.298 30.582 1.00 0.18 H HETATM 2858 O38 H A 82 12.072 27.182 32.564 1.00 -0.39 O HETATM 2859 H25 H A 82 10.424 25.433 33.728 1.00 0.06 H HETATM 2860 O35 H A 82 9.037 23.090 33.606 1.00 -0.32 O HETATM 2861 C36 H A 82 9.643 23.301 34.888 1.00 0.06 C HETATM 2862 H27 H A 82 9.362 22.482 35.566 1.00 0.06 H HETATM 2863 H28 H A 82 9.295 24.258 35.305 1.00 0.06 H HETATM 2864 H29 H A 82 10.737 23.326 34.777 1.00 0.06 H HETATM 2865 H14 H A 82 8.262 21.716 31.876 1.00 0.23 H HETATM 2866 N4 H A 82 6.405 23.113 29.647 1.00 -0.19 N HETATM 2867 H1 H A 82 4.493 19.921 30.468 1.00 0.11 H HETATM 2868 C9 H A 82 3.159 21.387 28.652 1.00 0.37 C HETATM 2869 F10 H A 82 2.572 20.324 29.161 1.00 -0.24 F HETATM 2870 F11 H A 82 2.278 22.378 28.774 1.00 -0.24 F HETATM 2871 F12 H A 82 3.290 21.148 27.344 1.00 -0.24 F HETATM 2872 O13 H A 82 4.832 23.621 28.005 1.00 -0.21 O HETATM 2873 C15 H A 82 5.659 24.594 27.440 1.00 0.15 C HETATM 2874 C20 H A 82 5.971 24.422 26.077 1.00 0.07 C HETATM 2875 C19 H A 82 6.812 25.349 25.459 1.00 -0.03 C HETATM 2876 C14 H A 82 7.030 25.017 24.004 1.00 -0.00 C HETATM 2877 C21 H A 82 6.198 23.746 23.767 1.00 0.03 C HETATM 2878 C39 H A 82 5.569 23.388 25.096 1.00 0.13 C HETATM 2879 O40 H A 82 4.858 22.422 25.303 1.00 -0.39 O HETATM 2880 H3 H A 82 6.846 22.927 23.421 1.00 0.05 H HETATM 2881 H4 H A 82 5.417 23.938 23.017 1.00 0.05 H HETATM 2882 H15 H A 82 6.677 25.837 23.362 1.00 0.05 H HETATM 2883 H16 H A 82 8.095 24.827 23.805 1.00 0.05 H HETATM 2884 C18 H A 82 7.328 26.415 26.191 1.00 -0.06 C HETATM 2885 C17 H A 82 7.006 26.574 27.531 1.00 -0.07 C HETATM 2886 C16 H A 82 6.160 25.672 28.161 1.00 -0.02 C HETATM 2887 H17 H A 82 5.893 25.806 29.203 1.00 0.05 H HETATM 2888 H2 H A 82 7.417 27.407 28.089 1.00 0.06 H HETATM 2889 H18 H A 82 7.988 27.128 25.709 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1523 1524 1531 1532 1533 CONECT 1531 1523 CONECT 1532 1523 CONECT 1533 1523 CONECT 2821 2822 2866 2872 CONECT 2822 2821 2823 2868 CONECT 2823 2822 2824 2867 CONECT 2824 2823 2825 CONECT 2825 2824 2826 2866 CONECT 2826 2825 2827 2865 CONECT 2827 2826 2828 2832 CONECT 2828 2827 2829 2860 CONECT 2829 2828 2830 2859 CONECT 2830 2829 2831 2835 CONECT 2831 2830 2832 2834 CONECT 2832 2827 2831 2833 CONECT 2833 2832 CONECT 2834 2831 CONECT 2835 2830 2836 2858 CONECT 2836 2835 2837 2857 CONECT 2837 2836 2838 2846 2856 CONECT 2838 2837 2839 2854 2855 CONECT 2839 2838 2840 2852 2853 CONECT 2840 2839 2841 2845 2851 CONECT 2841 2840 2842 2843 2844 CONECT 2842 2841 CONECT 2843 2841 CONECT 2844 2841 CONECT 2845 2840 2846 2849 2850 CONECT 2846 2837 2845 2847 2848 CONECT 2847 2846 CONECT 2848 2846 CONECT 2849 2845 CONECT 2850 2845 CONECT 2851 2840 CONECT 2852 2839 CONECT 2853 2839 CONECT 2854 2838 CONECT 2855 2838 CONECT 2856 2837 CONECT 2857 2836 CONECT 2858 2835 CONECT 2859 2829 CONECT 2860 2828 2861 CONECT 2861 2860 2862 2863 2864 CONECT 2862 2861 CONECT 2863 2861 CONECT 2864 2861 CONECT 2865 2826 CONECT 2866 2821 2825 CONECT 2867 2823 CONECT 2868 2822 2869 2870 2871 CONECT 2869 2868 CONECT 2870 2868 CONECT 2871 2868 CONECT 2872 2821 2873 CONECT 2873 2872 2874 2886 CONECT 2874 2873 2875 2878 CONECT 2875 2874 2876 2884 CONECT 2876 2875 2877 2882 2883 CONECT 2877 2876 2878 2880 2881 CONECT 2878 2874 2877 2879 CONECT 2879 2878 CONECT 2880 2877 CONECT 2881 2877 CONECT 2882 2876 CONECT 2883 2876 CONECT 2884 2875 2885 2889 CONECT 2885 2884 2886 2888 CONECT 2886 2873 2885 2887 CONECT 2887 2886 CONECT 2888 2885 CONECT 2889 2884 MASTER 0 0 0 0 0 0 0 0 2887 2 77 21 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 6i8z
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2etm
RCSB PDB
PDBbind
281aa, >2ETM_1|Chains... at 98%
2jkk
RCSB PDB
PDBbind
276aa, >2JKK_1|Chain... at 98%
2jkm
RCSB PDB
PDBbind
276aa, >2JKM_1|Chain... at 99%
2jko
RCSB PDB
PDBbind
276aa, >2JKO_1|Chain... at 98%
2jkq
RCSB PDB
PDBbind
276aa, >2JKQ_1|Chain... at 99%
3bz3
RCSB PDB
PDBbind
276aa, >3BZ3_1|Chain... at 98%
4brx
RCSB PDB
PDBbind
276aa, >4BRX_1|Chain... at 98%
4c7t
RCSB PDB
PDBbind
276aa, >4C7T_1|Chain... at 98%
4ebv
RCSB PDB
PDBbind
304aa, >4EBV_1|Chain... *
4ebw
RCSB PDB
PDBbind
304aa, >4EBW_1|Chain... at 100%
4gu6
RCSB PDB
PDBbind
282aa, >4GU6_1|Chains... at 97%
4gu9
RCSB PDB
PDBbind
279aa, >4GU9_1|Chains... at 98%
4i4e
RCSB PDB
PDBbind
281aa, >4I4E_1|Chain... at 100%
4i4f
RCSB PDB
PDBbind
281aa, >4I4F_1|Chain... at 100%
4k8a
RCSB PDB
PDBbind
279aa, >4K8A_1|Chains... at 98%
4k9y
RCSB PDB
PDBbind
279aa, >4K9Y_1|Chain... at 98%
4kab
RCSB PDB
PDBbind
279aa, >4KAB_1|Chains... at 98%
4kao
RCSB PDB
PDBbind
282aa, >4KAO_1|Chains... at 97%
4q9s
RCSB PDB
PDBbind
281aa, >4Q9S_1|Chain... at 100%
6gcx
RCSB PDB
PDBbind
276aa, >6GCX_1|Chain... at 98%
6gcw
RCSB PDB
PDBbind
276aa, >6GCW_1|Chains... at 98%
6gcr
RCSB PDB
PDBbind
276aa, >6GCR_1|Chain... 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
6i8z
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PTK2
Ligand Name
H82
EC.Number
E.C.-.-.-.-
Resolution
1.99(Å)
Affinity (Kd/Ki/IC50)
IC50=15.8nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 2508-2520
Ligand Properties
Formula
C
2
8
H
2
9
F
3
N
5
O
4
Molecular Weight
556.556
Exact Mass
556.217
No. of atoms
69
No. of bonds
73
Polar Surface Area
106.88
LOGP Value
4.41 (
Computed with XLOGP3
)
5.61 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
COc1cc(ccc1Nc1ncc(c(n1)Oc1cccc2c1C(=O)CC2)C(F)(F)F)C(=O)N[C@@H]1CC[N@H+](CC1)C
InChI String
InChI=1S/C28H28F3N5O4/c1-36-12-10-18(11-13-36)33-25(38)17-6-8-20(23(14-17)39-2)34-27-32-15-19(28(29,30)31)26(35-27)40-22-5-3-4-16-7-9-21(37)24(16)22/h3-6,8,14-15,18H,7,9-13H2,1-2H3,(H,33,38)(H,32,34,35)/p+1
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):
Q05397
Entrez Gene ID
NCBI Entrez Gene ID:
5747
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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