USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 546 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 433 SER OG : rot 180:sc= 0.548 USER MOD Set 1.2: A 452 SER OG : rot -125:sc= 0.599 USER MOD Set 2.1: A 419 GLN : amide:sc= -0.961 K(o=-2.4,f=-0.21) USER MOD Set 2.2: A 423 GLN : amide:sc= -1.43 K(o=-2.4,f=-0.21) USER MOD Single : A 398 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.49) USER MOD Single : A 399 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00444) USER MOD Single : A 406 ASN : amide:sc= -0.0321 K(o=-0.032,f=-0.79) USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 414 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.1!) USER MOD Single : A 424 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 453 TYR OH : rot 32:sc= 0.572 USER MOD Single : A 455 ASN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 458 SER OG : rot 180:sc= 0.0421 USER MOD Single : A 460 GLN : amide:sc= -1.2 K(o=-1.2,f=-3.5!) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 466 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 467 ASN : amide:sc= 0.541 K(o=0.54,f=-0.037) USER MOD Single : A 470 GLN : amide:sc= 0.199 K(o=0.2,f=-2.2!) USER MOD Single : A 473 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 474 LYS NZ :NH3+ -113:sc= 0.0276 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 GLN : amide:sc= 0.551 K(o=0.55,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 398 0.920 6.428 7.490 1.00 4.14 N ATOM 57 CA GLN A 398 0.214 7.420 6.622 1.00 13.31 C ATOM 58 C GLN A 398 -0.009 8.751 7.380 1.00 73.51 C ATOM 59 O GLN A 398 -0.313 8.713 8.570 1.00 22.22 O ATOM 60 CB GLN A 398 -1.133 6.782 6.041 1.00 13.20 C ATOM 61 CG GLN A 398 -2.324 7.699 5.500 1.00 31.01 C ATOM 62 CD GLN A 398 -3.094 8.568 6.516 1.00 42.32 C ATOM 63 OE1 GLN A 398 -3.244 8.211 7.686 1.00 24.31 O ATOM 64 NE2 GLN A 398 -3.619 9.718 6.041 1.00 12.22 N ATOM 0 HA GLN A 398 0.838 7.666 5.763 1.00 13.31 H new ATOM 0 HB2 GLN A 398 -0.844 6.122 5.223 1.00 13.20 H new ATOM 0 HB3 GLN A 398 -1.550 6.152 6.827 1.00 13.20 H new ATOM 0 HG2 GLN A 398 -1.914 8.362 4.738 1.00 31.01 H new ATOM 0 HG3 GLN A 398 -3.045 7.050 5.003 1.00 31.01 H new ATOM 0 HE21 GLN A 398 -3.474 9.981 5.066 1.00 12.22 H new ATOM 0 HE22 GLN A 398 -4.161 10.324 6.657 1.00 12.22 H new ATOM 73 N LYS A 399 0.158 9.916 6.679 1.00 11.41 N ATOM 74 CA LYS A 399 -0.026 11.263 7.213 1.00 2.12 C ATOM 75 C LYS A 399 0.289 12.269 6.056 1.00 41.04 C ATOM 76 O LYS A 399 1.401 12.280 5.542 1.00 34.24 O ATOM 77 CB LYS A 399 0.729 11.574 8.593 1.00 72.34 C ATOM 78 CG LYS A 399 2.125 10.956 8.891 1.00 4.23 C ATOM 79 CD LYS A 399 3.184 11.516 8.000 1.00 63.01 C ATOM 80 CE LYS A 399 4.576 10.894 8.250 1.00 23.54 C ATOM 81 NZ LYS A 399 5.619 11.938 8.433 1.00 45.42 N ATOM 0 H LYS A 399 0.433 9.919 5.697 1.00 11.41 H new ATOM 0 HA LYS A 399 -1.063 11.374 7.530 1.00 2.12 H new ATOM 0 HB2 LYS A 399 0.836 12.656 8.663 1.00 72.34 H new ATOM 0 HB3 LYS A 399 0.063 11.266 9.399 1.00 72.34 H new ATOM 0 HG2 LYS A 399 2.390 11.143 9.932 1.00 4.23 H new ATOM 0 HG3 LYS A 399 2.078 9.875 8.763 1.00 4.23 H new ATOM 0 HD2 LYS A 399 2.900 11.352 6.960 1.00 63.01 H new ATOM 0 HD3 LYS A 399 3.242 12.594 8.148 1.00 63.01 H new ATOM 0 HE2 LYS A 399 4.537 10.259 9.135 1.00 23.54 H new ATOM 0 HE3 LYS A 399 4.845 10.254 7.410 1.00 23.54 H new ATOM 0 HZ1 LYS A 399 6.545 11.484 8.565 1.00 45.42 H new ATOM 0 HZ2 LYS A 399 5.649 12.549 7.592 1.00 45.42 H new ATOM 0 HZ3 LYS A 399 5.393 12.512 9.270 1.00 45.42 H new ATOM 95 N GLU A 400 -0.719 13.047 5.580 1.00 4.35 N ATOM 96 CA GLU A 400 -0.556 13.889 4.361 1.00 4.44 C ATOM 97 C GLU A 400 -0.421 15.401 4.701 1.00 52.20 C ATOM 98 O GLU A 400 -0.624 15.794 5.851 1.00 55.10 O ATOM 99 CB GLU A 400 -1.610 13.571 3.222 1.00 51.22 C ATOM 100 CG GLU A 400 -3.101 13.690 3.568 1.00 2.24 C ATOM 101 CD GLU A 400 -3.663 15.104 3.552 1.00 41.03 C ATOM 102 OE1 GLU A 400 -4.141 15.543 2.483 1.00 4.34 O ATOM 103 OE2 GLU A 400 -3.661 15.758 4.615 1.00 53.10 O ATOM 0 H GLU A 400 -1.640 13.110 6.013 1.00 4.35 H new ATOM 0 HA GLU A 400 0.399 13.603 3.920 1.00 4.44 H new ATOM 0 HB2 GLU A 400 -1.407 14.237 2.384 1.00 51.22 H new ATOM 0 HB3 GLU A 400 -1.428 12.555 2.873 1.00 51.22 H new ATOM 0 HG2 GLU A 400 -3.670 13.083 2.864 1.00 2.24 H new ATOM 0 HG3 GLU A 400 -3.262 13.264 4.558 1.00 2.24 H new ATOM 110 N GLY A 401 -0.019 16.227 3.712 1.00 44.12 N ATOM 111 CA GLY A 401 0.497 17.568 3.992 1.00 31.45 C ATOM 112 C GLY A 401 -0.411 18.684 3.472 1.00 2.31 C ATOM 113 O GLY A 401 -1.252 19.136 4.252 1.00 50.52 O ATOM 0 H GLY A 401 -0.044 15.984 2.722 1.00 44.12 H new ATOM 0 HA2 GLY A 401 0.624 17.684 5.068 1.00 31.45 H new ATOM 0 HA3 GLY A 401 1.484 17.672 3.541 1.00 31.45 H new ATOM 117 N PRO A 402 -0.293 19.228 2.203 1.00 11.14 N ATOM 118 CA PRO A 402 -1.237 20.247 1.775 1.00 2.22 C ATOM 119 C PRO A 402 -2.387 19.679 0.926 1.00 63.25 C ATOM 120 O PRO A 402 -2.342 18.525 0.470 1.00 10.34 O ATOM 121 CB PRO A 402 -0.312 21.172 0.981 1.00 30.31 C ATOM 122 CG PRO A 402 0.558 20.242 0.230 1.00 30.10 C ATOM 123 CD PRO A 402 0.740 19.016 1.115 1.00 10.12 C ATOM 0 HA PRO A 402 -1.769 20.737 2.591 1.00 2.22 H new ATOM 0 HB2 PRO A 402 -0.875 21.822 0.311 1.00 30.31 H new ATOM 0 HB3 PRO A 402 0.268 21.819 1.639 1.00 30.31 H new ATOM 0 HG2 PRO A 402 0.104 19.969 -0.723 1.00 30.10 H new ATOM 0 HG3 PRO A 402 1.519 20.705 0.005 1.00 30.10 H new ATOM 0 HD2 PRO A 402 0.564 18.091 0.565 1.00 10.12 H new ATOM 0 HD3 PRO A 402 1.749 18.958 1.522 1.00 10.12 H new ATOM 131 N GLU A 403 -3.444 20.477 0.774 1.00 53.53 N ATOM 132 CA GLU A 403 -4.492 20.206 -0.191 1.00 34.13 C ATOM 133 C GLU A 403 -3.853 20.143 -1.619 1.00 73.43 C ATOM 134 O GLU A 403 -3.246 21.112 -2.092 1.00 43.51 O ATOM 135 CB GLU A 403 -5.596 21.300 -0.024 1.00 32.14 C ATOM 136 CG GLU A 403 -5.501 22.605 -0.856 1.00 73.34 C ATOM 137 CD GLU A 403 -6.416 22.607 -2.061 1.00 70.42 C ATOM 138 OE1 GLU A 403 -7.614 22.910 -1.887 1.00 63.30 O ATOM 139 OE2 GLU A 403 -5.943 22.323 -3.182 1.00 3.10 O ATOM 0 H GLU A 403 -3.591 21.327 1.319 1.00 53.53 H new ATOM 0 HA GLU A 403 -4.975 19.242 -0.032 1.00 34.13 H new ATOM 0 HB2 GLU A 403 -6.555 20.835 -0.252 1.00 32.14 H new ATOM 0 HB3 GLU A 403 -5.621 21.583 1.028 1.00 32.14 H new ATOM 0 HG2 GLU A 403 -5.747 23.454 -0.219 1.00 73.34 H new ATOM 0 HG3 GLU A 403 -4.472 22.743 -1.188 1.00 73.34 H new ATOM 146 N GLY A 404 -3.849 18.957 -2.227 1.00 13.53 N ATOM 147 CA GLY A 404 -3.517 18.852 -3.616 1.00 23.00 C ATOM 148 C GLY A 404 -2.766 17.574 -4.025 1.00 52.40 C ATOM 149 O GLY A 404 -2.616 17.326 -5.227 1.00 41.34 O ATOM 0 H GLY A 404 -4.072 18.073 -1.770 1.00 13.53 H new ATOM 0 HA2 GLY A 404 -4.437 18.913 -4.197 1.00 23.00 H new ATOM 0 HA3 GLY A 404 -2.909 19.713 -3.892 1.00 23.00 H new ATOM 153 N ALA A 405 -2.261 16.760 -3.066 1.00 61.24 N ATOM 154 CA ALA A 405 -1.451 15.607 -3.454 1.00 14.32 C ATOM 155 C ALA A 405 -1.952 14.346 -2.714 1.00 4.22 C ATOM 156 O ALA A 405 -1.651 14.190 -1.536 1.00 44.54 O ATOM 157 CB ALA A 405 -0.003 15.931 -3.063 1.00 4.23 C ATOM 0 H ALA A 405 -2.398 16.881 -2.063 1.00 61.24 H new ATOM 0 HA ALA A 405 -1.521 15.410 -4.524 1.00 14.32 H new ATOM 0 HB1 ALA A 405 0.643 15.096 -3.334 1.00 4.23 H new ATOM 0 HB2 ALA A 405 0.324 16.828 -3.589 1.00 4.23 H new ATOM 0 HB3 ALA A 405 0.054 16.100 -1.988 1.00 4.23 H new ATOM 163 N ASN A 406 -2.636 13.417 -3.445 1.00 32.24 N ATOM 164 CA ASN A 406 -3.085 12.052 -2.927 1.00 0.12 C ATOM 165 C ASN A 406 -3.289 11.039 -4.092 1.00 14.24 C ATOM 166 O ASN A 406 -4.103 11.305 -4.977 1.00 64.52 O ATOM 167 CB ASN A 406 -4.425 12.252 -2.128 1.00 44.14 C ATOM 168 CG ASN A 406 -4.289 12.877 -0.751 1.00 34.42 C ATOM 169 OD1 ASN A 406 -3.358 12.572 -0.012 1.00 51.21 O ATOM 170 ND2 ASN A 406 -5.238 13.733 -0.382 1.00 31.22 N ATOM 0 H ASN A 406 -2.901 13.578 -4.417 1.00 32.24 H new ATOM 0 HA ASN A 406 -2.313 11.637 -2.278 1.00 0.12 H new ATOM 0 HB2 ASN A 406 -5.091 12.875 -2.724 1.00 44.14 H new ATOM 0 HB3 ASN A 406 -4.909 11.281 -2.019 1.00 44.14 H new ATOM 0 HD21 ASN A 406 -5.207 14.161 0.544 1.00 31.22 H new ATOM 0 HD22 ASN A 406 -5.996 13.962 -1.025 1.00 31.22 H new ATOM 177 N LEU A 407 -2.553 9.896 -4.121 1.00 34.32 N ATOM 178 CA LEU A 407 -2.743 8.851 -5.160 1.00 24.43 C ATOM 179 C LEU A 407 -3.116 7.428 -4.519 1.00 63.41 C ATOM 180 O LEU A 407 -2.272 6.893 -3.789 1.00 41.35 O ATOM 181 CB LEU A 407 -1.391 8.727 -5.897 1.00 65.35 C ATOM 182 CG LEU A 407 -0.997 9.774 -6.954 1.00 40.04 C ATOM 183 CD1 LEU A 407 -2.179 10.329 -7.742 1.00 34.53 C ATOM 184 CD2 LEU A 407 -0.175 10.895 -6.367 1.00 34.44 C ATOM 0 H LEU A 407 -1.826 9.677 -3.440 1.00 34.32 H new ATOM 0 HA LEU A 407 -3.563 9.132 -5.821 1.00 24.43 H new ATOM 0 HB2 LEU A 407 -0.607 8.719 -5.139 1.00 65.35 H new ATOM 0 HB3 LEU A 407 -1.374 7.752 -6.383 1.00 65.35 H new ATOM 0 HG LEU A 407 -0.377 9.230 -7.667 1.00 40.04 H new ATOM 0 HD11 LEU A 407 -1.822 11.060 -8.467 1.00 34.53 H new ATOM 0 HD12 LEU A 407 -2.682 9.515 -8.265 1.00 34.53 H new ATOM 0 HD13 LEU A 407 -2.879 10.808 -7.058 1.00 34.53 H new ATOM 0 HD21 LEU A 407 0.079 11.609 -7.151 1.00 34.44 H new ATOM 0 HD22 LEU A 407 -0.749 11.399 -5.589 1.00 34.44 H new ATOM 0 HD23 LEU A 407 0.740 10.488 -5.936 1.00 34.44 H new ATOM 196 N PHE A 408 -4.344 6.780 -4.749 1.00 74.13 N ATOM 197 CA PHE A 408 -4.573 5.359 -4.217 1.00 53.12 C ATOM 198 C PHE A 408 -4.668 4.291 -5.353 1.00 42.03 C ATOM 199 O PHE A 408 -4.958 4.624 -6.504 1.00 73.12 O ATOM 200 CB PHE A 408 -5.767 5.153 -3.207 1.00 64.34 C ATOM 201 CG PHE A 408 -5.749 6.045 -1.991 1.00 30.33 C ATOM 202 CD1 PHE A 408 -4.569 6.324 -1.315 1.00 75.02 C ATOM 203 CD2 PHE A 408 -6.921 6.620 -1.537 1.00 65.22 C ATOM 204 CE1 PHE A 408 -4.555 7.158 -0.224 1.00 15.45 C ATOM 205 CE2 PHE A 408 -6.914 7.448 -0.439 1.00 2.33 C ATOM 206 CZ PHE A 408 -5.730 7.716 0.208 1.00 33.25 C ATOM 0 H PHE A 408 -5.129 7.185 -5.258 1.00 74.13 H new ATOM 0 HA PHE A 408 -3.667 5.208 -3.630 1.00 53.12 H new ATOM 0 HB2 PHE A 408 -6.704 5.314 -3.741 1.00 64.34 H new ATOM 0 HB3 PHE A 408 -5.764 4.115 -2.875 1.00 64.34 H new ATOM 0 HD1 PHE A 408 -3.646 5.877 -1.653 1.00 75.02 H new ATOM 0 HD2 PHE A 408 -7.850 6.417 -2.049 1.00 65.22 H new ATOM 0 HE1 PHE A 408 -3.628 7.372 0.288 1.00 15.45 H new ATOM 0 HE2 PHE A 408 -7.836 7.887 -0.086 1.00 2.33 H new ATOM 0 HZ PHE A 408 -5.726 8.373 1.065 1.00 33.25 H new ATOM 216 N ILE A 409 -4.432 2.988 -4.999 1.00 45.12 N ATOM 217 CA ILE A 409 -4.131 1.904 -6.033 1.00 32.20 C ATOM 218 C ILE A 409 -5.285 0.806 -5.973 1.00 63.52 C ATOM 219 O ILE A 409 -5.440 0.182 -4.921 1.00 1.31 O ATOM 220 CB ILE A 409 -2.651 1.185 -5.878 1.00 51.45 C ATOM 221 CG1 ILE A 409 -1.357 2.108 -6.169 1.00 70.01 C ATOM 222 CG2 ILE A 409 -2.501 -0.072 -6.805 1.00 2.22 C ATOM 223 CD1 ILE A 409 -1.325 3.598 -5.823 1.00 23.44 C ATOM 0 H ILE A 409 -4.440 2.654 -4.035 1.00 45.12 H new ATOM 0 HA ILE A 409 -4.100 2.401 -7.003 1.00 32.20 H new ATOM 0 HB ILE A 409 -2.652 0.933 -4.817 1.00 51.45 H new ATOM 0 HG12 ILE A 409 -0.519 1.647 -5.646 1.00 70.01 H new ATOM 0 HG13 ILE A 409 -1.149 2.029 -7.236 1.00 70.01 H new ATOM 0 HG21 ILE A 409 -1.512 -0.510 -6.667 1.00 2.22 H new ATOM 0 HG22 ILE A 409 -3.263 -0.808 -6.546 1.00 2.22 H new ATOM 0 HG23 ILE A 409 -2.624 0.227 -7.846 1.00 2.22 H new ATOM 0 HD11 ILE A 409 -0.359 4.016 -6.105 1.00 23.44 H new ATOM 0 HD12 ILE A 409 -2.117 4.115 -6.366 1.00 23.44 H new ATOM 0 HD13 ILE A 409 -1.476 3.726 -4.751 1.00 23.44 H new ATOM 235 N TYR A 410 -6.132 0.583 -7.054 1.00 33.05 N ATOM 236 CA TYR A 410 -6.987 -0.644 -7.127 1.00 71.43 C ATOM 237 C TYR A 410 -6.243 -1.672 -8.010 1.00 31.30 C ATOM 238 O TYR A 410 -5.503 -1.238 -8.904 1.00 33.10 O ATOM 239 CB TYR A 410 -8.409 -0.380 -7.752 1.00 32.21 C ATOM 240 CG TYR A 410 -9.411 0.554 -7.046 1.00 30.14 C ATOM 241 CD1 TYR A 410 -9.318 0.961 -5.711 1.00 22.30 C ATOM 242 CD2 TYR A 410 -10.528 0.989 -7.763 1.00 54.10 C ATOM 243 CE1 TYR A 410 -10.292 1.760 -5.142 1.00 14.11 C ATOM 244 CE2 TYR A 410 -11.493 1.797 -7.187 1.00 34.31 C ATOM 245 CZ TYR A 410 -11.370 2.175 -5.880 1.00 75.41 C ATOM 246 OH TYR A 410 -12.327 2.970 -5.295 1.00 4.34 O ATOM 0 H TYR A 410 -6.229 1.217 -7.847 1.00 33.05 H new ATOM 0 HA TYR A 410 -7.153 -1.000 -6.110 1.00 71.43 H new ATOM 0 HB2 TYR A 410 -8.251 0.016 -8.755 1.00 32.21 H new ATOM 0 HB3 TYR A 410 -8.896 -1.349 -7.865 1.00 32.21 H new ATOM 0 HD1 TYR A 410 -8.473 0.647 -5.116 1.00 22.30 H new ATOM 0 HD2 TYR A 410 -10.642 0.687 -8.794 1.00 54.10 H new ATOM 0 HE1 TYR A 410 -10.203 2.060 -4.108 1.00 14.11 H new ATOM 0 HE2 TYR A 410 -12.341 2.128 -7.769 1.00 34.31 H new ATOM 0 HH TYR A 410 -13.025 3.179 -5.951 1.00 4.34 H new ATOM 256 N HIS A 411 -6.409 -3.022 -7.740 1.00 64.41 N ATOM 257 CA HIS A 411 -5.749 -4.106 -8.561 1.00 13.12 C ATOM 258 C HIS A 411 -4.202 -4.160 -8.395 1.00 52.21 C ATOM 259 O HIS A 411 -3.465 -3.826 -9.325 1.00 43.44 O ATOM 260 CB HIS A 411 -6.087 -3.985 -10.050 1.00 42.22 C ATOM 261 CG HIS A 411 -7.509 -4.248 -10.442 1.00 12.33 C ATOM 262 ND1 HIS A 411 -8.434 -4.922 -9.665 1.00 61.23 N ATOM 263 CD2 HIS A 411 -8.174 -3.849 -11.540 1.00 11.31 C ATOM 264 CE1 HIS A 411 -9.605 -4.917 -10.285 1.00 42.34 C ATOM 265 NE2 HIS A 411 -9.472 -4.269 -11.423 1.00 71.14 N ATOM 0 H HIS A 411 -6.983 -3.375 -6.975 1.00 64.41 H new ATOM 0 HA HIS A 411 -6.160 -5.036 -8.167 1.00 13.12 H new ATOM 0 HB2 HIS A 411 -5.824 -2.979 -10.378 1.00 42.22 H new ATOM 0 HB3 HIS A 411 -5.449 -4.676 -10.601 1.00 42.22 H new ATOM 0 HD2 HIS A 411 -7.758 -3.295 -12.368 1.00 11.31 H new ATOM 0 HE1 HIS A 411 -10.515 -5.368 -9.918 1.00 42.34 H new ATOM 0 HE2 HIS A 411 -10.213 -4.107 -12.105 1.00 71.14 H new ATOM 274 N LEU A 412 -3.717 -4.526 -7.200 1.00 34.33 N ATOM 275 CA LEU A 412 -2.283 -4.481 -6.889 1.00 32.22 C ATOM 276 C LEU A 412 -1.589 -5.771 -7.428 1.00 52.11 C ATOM 277 O LEU A 412 -2.029 -6.873 -7.067 1.00 43.20 O ATOM 278 CB LEU A 412 -2.059 -4.236 -5.336 1.00 31.32 C ATOM 279 CG LEU A 412 -0.727 -4.741 -4.689 1.00 72.41 C ATOM 280 CD1 LEU A 412 -0.159 -3.728 -3.705 1.00 52.35 C ATOM 281 CD2 LEU A 412 -0.889 -6.075 -3.934 1.00 54.14 C ATOM 0 H LEU A 412 -4.300 -4.857 -6.431 1.00 34.33 H new ATOM 0 HA LEU A 412 -1.813 -3.637 -7.394 1.00 32.22 H new ATOM 0 HB2 LEU A 412 -2.131 -3.163 -5.155 1.00 31.32 H new ATOM 0 HB3 LEU A 412 -2.886 -4.705 -4.803 1.00 31.32 H new ATOM 0 HG LEU A 412 -0.048 -4.884 -5.530 1.00 72.41 H new ATOM 0 HD11 LEU A 412 0.766 -4.115 -3.277 1.00 52.35 H new ATOM 0 HD12 LEU A 412 0.046 -2.792 -4.224 1.00 52.35 H new ATOM 0 HD13 LEU A 412 -0.881 -3.550 -2.908 1.00 52.35 H new ATOM 0 HD21 LEU A 412 0.070 -6.371 -3.509 1.00 54.14 H new ATOM 0 HD22 LEU A 412 -1.619 -5.954 -3.134 1.00 54.14 H new ATOM 0 HD23 LEU A 412 -1.233 -6.845 -4.625 1.00 54.14 H new ATOM 293 N PRO A 413 -0.568 -5.682 -8.366 1.00 4.41 N ATOM 294 CA PRO A 413 0.195 -6.865 -8.849 1.00 30.42 C ATOM 295 C PRO A 413 1.107 -7.608 -7.809 1.00 14.33 C ATOM 296 O PRO A 413 1.185 -7.233 -6.646 1.00 32.42 O ATOM 297 CB PRO A 413 0.930 -6.392 -10.077 1.00 54.01 C ATOM 298 CG PRO A 413 1.077 -4.942 -9.945 1.00 53.51 C ATOM 299 CD PRO A 413 -0.092 -4.446 -9.128 1.00 50.43 C ATOM 0 HA PRO A 413 -0.508 -7.669 -9.067 1.00 30.42 H new ATOM 0 HB2 PRO A 413 1.904 -6.874 -10.155 1.00 54.01 H new ATOM 0 HB3 PRO A 413 0.376 -6.644 -10.981 1.00 54.01 H new ATOM 0 HG2 PRO A 413 2.020 -4.694 -9.457 1.00 53.51 H new ATOM 0 HG3 PRO A 413 1.090 -4.466 -10.925 1.00 53.51 H new ATOM 0 HD2 PRO A 413 0.207 -3.649 -8.447 1.00 50.43 H new ATOM 0 HD3 PRO A 413 -0.880 -4.042 -9.764 1.00 50.43 H new ATOM 307 N GLN A 414 1.814 -8.649 -8.313 1.00 5.11 N ATOM 308 CA GLN A 414 2.170 -9.936 -7.681 1.00 31.00 C ATOM 309 C GLN A 414 2.371 -10.088 -6.119 1.00 73.02 C ATOM 310 O GLN A 414 1.514 -10.727 -5.511 1.00 41.33 O ATOM 311 CB GLN A 414 3.530 -10.268 -8.386 1.00 23.31 C ATOM 312 CG GLN A 414 4.436 -9.037 -8.778 1.00 34.54 C ATOM 313 CD GLN A 414 5.591 -8.756 -7.818 1.00 3.42 C ATOM 314 OE1 GLN A 414 6.110 -9.657 -7.173 1.00 60.32 O ATOM 315 NE2 GLN A 414 5.993 -7.488 -7.735 1.00 40.53 N ATOM 0 H GLN A 414 2.183 -8.600 -9.263 1.00 5.11 H new ATOM 0 HA GLN A 414 1.303 -10.584 -7.807 1.00 31.00 H new ATOM 0 HB2 GLN A 414 4.105 -10.920 -7.729 1.00 23.31 H new ATOM 0 HB3 GLN A 414 3.316 -10.836 -9.291 1.00 23.31 H new ATOM 0 HG2 GLN A 414 4.844 -9.208 -9.774 1.00 34.54 H new ATOM 0 HG3 GLN A 414 3.809 -8.148 -8.839 1.00 34.54 H new ATOM 0 HE21 GLN A 414 5.531 -6.769 -8.292 1.00 40.53 H new ATOM 0 HE22 GLN A 414 6.763 -7.237 -7.115 1.00 40.53 H new ATOM 324 N GLU A 415 3.404 -9.565 -5.438 1.00 73.35 N ATOM 325 CA GLU A 415 3.378 -9.503 -3.937 1.00 42.32 C ATOM 326 C GLU A 415 3.472 -8.050 -3.396 1.00 34.34 C ATOM 327 O GLU A 415 3.658 -7.871 -2.188 1.00 53.03 O ATOM 328 CB GLU A 415 4.384 -10.555 -3.287 1.00 42.01 C ATOM 329 CG GLU A 415 5.659 -10.035 -2.605 1.00 23.53 C ATOM 330 CD GLU A 415 6.919 -10.705 -3.099 1.00 30.53 C ATOM 331 OE1 GLU A 415 7.284 -10.499 -4.270 1.00 11.32 O ATOM 332 OE2 GLU A 415 7.557 -11.426 -2.302 1.00 11.31 O ATOM 0 H GLU A 415 4.248 -9.187 -5.869 1.00 73.35 H new ATOM 0 HA GLU A 415 2.394 -9.828 -3.600 1.00 42.32 H new ATOM 0 HB2 GLU A 415 3.827 -11.132 -2.549 1.00 42.01 H new ATOM 0 HB3 GLU A 415 4.688 -11.249 -4.071 1.00 42.01 H new ATOM 0 HG2 GLU A 415 5.739 -8.961 -2.771 1.00 23.53 H new ATOM 0 HG3 GLU A 415 5.574 -10.186 -1.529 1.00 23.53 H new ATOM 339 N PHE A 416 3.127 -7.039 -4.244 1.00 73.51 N ATOM 340 CA PHE A 416 3.816 -5.689 -4.216 1.00 40.34 C ATOM 341 C PHE A 416 3.775 -5.048 -2.795 1.00 62.22 C ATOM 342 O PHE A 416 2.742 -4.522 -2.369 1.00 3.14 O ATOM 343 CB PHE A 416 3.154 -4.665 -5.235 1.00 33.15 C ATOM 344 CG PHE A 416 3.964 -4.034 -6.337 1.00 3.35 C ATOM 345 CD1 PHE A 416 5.098 -4.578 -6.931 1.00 32.44 C ATOM 346 CD2 PHE A 416 3.494 -2.821 -6.811 1.00 24.33 C ATOM 347 CE1 PHE A 416 5.722 -3.925 -7.963 1.00 0.51 C ATOM 348 CE2 PHE A 416 4.123 -2.166 -7.846 1.00 64.24 C ATOM 349 CZ PHE A 416 5.239 -2.721 -8.425 1.00 21.33 C ATOM 0 H PHE A 416 2.392 -7.117 -4.947 1.00 73.51 H new ATOM 0 HA PHE A 416 4.850 -5.879 -4.506 1.00 40.34 H new ATOM 0 HB2 PHE A 416 2.318 -5.181 -5.708 1.00 33.15 H new ATOM 0 HB3 PHE A 416 2.733 -3.852 -4.643 1.00 33.15 H new ATOM 0 HD1 PHE A 416 5.489 -5.520 -6.577 1.00 32.44 H new ATOM 0 HD2 PHE A 416 2.617 -2.380 -6.360 1.00 24.33 H new ATOM 0 HE1 PHE A 416 6.600 -4.359 -8.418 1.00 0.51 H new ATOM 0 HE2 PHE A 416 3.741 -1.220 -8.201 1.00 64.24 H new ATOM 0 HZ PHE A 416 5.736 -2.215 -9.240 1.00 21.33 H new ATOM 359 N GLY A 417 4.921 -5.117 -2.069 1.00 21.32 N ATOM 360 CA GLY A 417 4.983 -4.693 -0.672 1.00 72.45 C ATOM 361 C GLY A 417 5.684 -3.324 -0.458 1.00 2.41 C ATOM 362 O GLY A 417 5.940 -2.621 -1.447 1.00 23.43 O ATOM 0 H GLY A 417 5.806 -5.464 -2.440 1.00 21.32 H new ATOM 0 HA2 GLY A 417 3.970 -4.637 -0.275 1.00 72.45 H new ATOM 0 HA3 GLY A 417 5.510 -5.453 -0.095 1.00 72.45 H new ATOM 366 N ASP A 418 5.942 -2.936 0.841 1.00 2.04 N ATOM 367 CA ASP A 418 6.610 -1.625 1.218 1.00 12.02 C ATOM 368 C ASP A 418 7.890 -1.329 0.381 1.00 53.41 C ATOM 369 O ASP A 418 7.962 -0.262 -0.241 1.00 22.22 O ATOM 370 CB ASP A 418 6.893 -1.474 2.780 1.00 35.13 C ATOM 371 CG ASP A 418 8.190 -0.754 3.125 1.00 55.23 C ATOM 372 OD1 ASP A 418 8.214 0.493 3.110 1.00 33.23 O ATOM 373 OD2 ASP A 418 9.175 -1.448 3.447 1.00 51.13 O ATOM 0 H ASP A 418 5.698 -3.511 1.647 1.00 2.04 H new ATOM 0 HA ASP A 418 5.873 -0.863 0.962 1.00 12.02 H new ATOM 0 HB2 ASP A 418 6.062 -0.935 3.236 1.00 35.13 H new ATOM 0 HB3 ASP A 418 6.914 -2.467 3.229 1.00 35.13 H new ATOM 378 N GLN A 419 8.884 -2.261 0.396 1.00 51.41 N ATOM 379 CA GLN A 419 10.103 -2.177 -0.455 1.00 72.23 C ATOM 380 C GLN A 419 9.828 -1.788 -1.913 1.00 72.11 C ATOM 381 O GLN A 419 10.402 -0.803 -2.386 1.00 63.21 O ATOM 382 CB GLN A 419 10.998 -3.458 -0.395 1.00 31.14 C ATOM 383 CG GLN A 419 10.398 -4.772 -0.974 1.00 13.43 C ATOM 384 CD GLN A 419 11.077 -5.270 -2.259 1.00 33.12 C ATOM 385 OE1 GLN A 419 11.135 -6.473 -2.497 1.00 70.40 O ATOM 386 NE2 GLN A 419 11.569 -4.371 -3.112 1.00 53.25 N ATOM 0 H GLN A 419 8.862 -3.086 0.995 1.00 51.41 H new ATOM 0 HA GLN A 419 10.664 -1.357 -0.006 1.00 72.23 H new ATOM 0 HB2 GLN A 419 11.926 -3.247 -0.927 1.00 31.14 H new ATOM 0 HB3 GLN A 419 11.262 -3.637 0.647 1.00 31.14 H new ATOM 0 HG2 GLN A 419 10.466 -5.552 -0.216 1.00 13.43 H new ATOM 0 HG3 GLN A 419 9.338 -4.615 -1.175 1.00 13.43 H new ATOM 0 HE21 GLN A 419 11.510 -3.376 -2.895 1.00 53.25 H new ATOM 0 HE22 GLN A 419 12.004 -4.678 -3.982 1.00 53.25 H new ATOM 395 N ASP A 420 8.939 -2.522 -2.614 1.00 42.12 N ATOM 396 CA ASP A 420 8.703 -2.302 -4.044 1.00 41.42 C ATOM 397 C ASP A 420 8.061 -0.946 -4.335 1.00 61.55 C ATOM 398 O ASP A 420 8.497 -0.262 -5.264 1.00 74.10 O ATOM 399 CB ASP A 420 7.832 -3.370 -4.626 1.00 31.31 C ATOM 400 CG ASP A 420 8.390 -3.883 -5.944 1.00 33.14 C ATOM 401 OD1 ASP A 420 8.631 -3.065 -6.861 1.00 50.20 O ATOM 402 OD2 ASP A 420 8.592 -5.109 -6.059 1.00 71.23 O ATOM 0 H ASP A 420 8.377 -3.270 -2.208 1.00 42.12 H new ATOM 0 HA ASP A 420 9.689 -2.329 -4.508 1.00 41.42 H new ATOM 0 HB2 ASP A 420 7.745 -4.196 -3.920 1.00 31.31 H new ATOM 0 HB3 ASP A 420 6.827 -2.977 -4.783 1.00 31.31 H new ATOM 407 N ILE A 421 7.039 -0.553 -3.528 1.00 1.34 N ATOM 408 CA ILE A 421 6.351 0.743 -3.702 1.00 13.20 C ATOM 409 C ILE A 421 7.315 1.961 -3.508 1.00 64.52 C ATOM 410 O ILE A 421 7.040 3.054 -4.005 1.00 63.10 O ATOM 411 CB ILE A 421 5.054 0.863 -2.728 1.00 64.01 C ATOM 412 CG1 ILE A 421 3.686 0.984 -3.507 1.00 23.10 C ATOM 413 CG2 ILE A 421 5.154 1.967 -1.656 1.00 22.30 C ATOM 414 CD1 ILE A 421 2.496 1.562 -2.747 1.00 74.43 C ATOM 0 H ILE A 421 6.680 -1.116 -2.757 1.00 1.34 H new ATOM 0 HA ILE A 421 6.002 0.774 -4.734 1.00 13.20 H new ATOM 0 HB ILE A 421 5.059 -0.091 -2.201 1.00 64.01 H new ATOM 0 HG12 ILE A 421 3.854 1.601 -4.390 1.00 23.10 H new ATOM 0 HG13 ILE A 421 3.410 -0.010 -3.860 1.00 23.10 H new ATOM 0 HG21 ILE A 421 4.245 1.973 -1.054 1.00 22.30 H new ATOM 0 HG22 ILE A 421 6.013 1.774 -1.014 1.00 22.30 H new ATOM 0 HG23 ILE A 421 5.274 2.936 -2.141 1.00 22.30 H new ATOM 0 HD11 ILE A 421 1.624 1.587 -3.401 1.00 74.43 H new ATOM 0 HD12 ILE A 421 2.281 0.938 -1.879 1.00 74.43 H new ATOM 0 HD13 ILE A 421 2.732 2.574 -2.417 1.00 74.43 H new ATOM 426 N LEU A 422 8.471 1.746 -2.858 1.00 35.31 N ATOM 427 CA LEU A 422 9.269 2.823 -2.387 1.00 75.15 C ATOM 428 C LEU A 422 10.251 3.224 -3.509 1.00 10.50 C ATOM 429 O LEU A 422 10.566 4.386 -3.676 1.00 2.24 O ATOM 430 CB LEU A 422 9.981 2.464 -1.023 1.00 61.31 C ATOM 431 CG LEU A 422 10.945 3.523 -0.425 1.00 64.00 C ATOM 432 CD1 LEU A 422 10.239 4.854 -0.072 1.00 3.13 C ATOM 433 CD2 LEU A 422 11.639 3.003 0.837 1.00 34.13 C ATOM 0 H LEU A 422 8.851 0.820 -2.660 1.00 35.31 H new ATOM 0 HA LEU A 422 8.645 3.686 -2.155 1.00 75.15 H new ATOM 0 HB2 LEU A 422 9.208 2.255 -0.283 1.00 61.31 H new ATOM 0 HB3 LEU A 422 10.542 1.540 -1.168 1.00 61.31 H new ATOM 0 HG LEU A 422 11.678 3.713 -1.209 1.00 64.00 H new ATOM 0 HD11 LEU A 422 10.966 5.553 0.342 1.00 3.13 H new ATOM 0 HD12 LEU A 422 9.796 5.281 -0.972 1.00 3.13 H new ATOM 0 HD13 LEU A 422 9.457 4.667 0.663 1.00 3.13 H new ATOM 0 HD21 LEU A 422 12.306 3.771 1.228 1.00 34.13 H new ATOM 0 HD22 LEU A 422 10.889 2.756 1.589 1.00 34.13 H new ATOM 0 HD23 LEU A 422 12.216 2.111 0.594 1.00 34.13 H new ATOM 445 N GLN A 423 10.695 2.207 -4.268 1.00 44.04 N ATOM 446 CA GLN A 423 11.646 2.383 -5.425 1.00 31.02 C ATOM 447 C GLN A 423 10.927 2.654 -6.766 1.00 34.51 C ATOM 448 O GLN A 423 11.230 3.638 -7.426 1.00 25.31 O ATOM 449 CB GLN A 423 12.544 1.131 -5.682 1.00 10.13 C ATOM 450 CG GLN A 423 13.404 0.603 -4.525 1.00 62.30 C ATOM 451 CD GLN A 423 13.307 -0.931 -4.335 1.00 60.22 C ATOM 452 OE1 GLN A 423 14.274 -1.534 -3.876 1.00 72.22 O ATOM 453 NE2 GLN A 423 12.179 -1.608 -4.688 1.00 30.43 N ATOM 0 H GLN A 423 10.418 1.238 -4.114 1.00 44.04 H new ATOM 0 HA GLN A 423 12.247 3.240 -5.119 1.00 31.02 H new ATOM 0 HB2 GLN A 423 11.896 0.319 -6.012 1.00 10.13 H new ATOM 0 HB3 GLN A 423 13.211 1.365 -6.512 1.00 10.13 H new ATOM 0 HG2 GLN A 423 14.445 0.874 -4.703 1.00 62.30 H new ATOM 0 HG3 GLN A 423 13.099 1.096 -3.602 1.00 62.30 H new ATOM 0 HE21 GLN A 423 11.379 -1.103 -5.069 1.00 30.43 H new ATOM 0 HE22 GLN A 423 12.134 -2.620 -4.572 1.00 30.43 H new ATOM 462 N MET A 424 10.029 1.736 -7.200 1.00 23.44 N ATOM 463 CA MET A 424 9.355 1.856 -8.546 1.00 44.31 C ATOM 464 C MET A 424 8.472 3.155 -8.662 1.00 50.53 C ATOM 465 O MET A 424 8.211 3.619 -9.773 1.00 73.55 O ATOM 466 CB MET A 424 8.528 0.540 -8.929 1.00 20.13 C ATOM 467 CG MET A 424 7.884 0.455 -10.364 1.00 1.53 C ATOM 468 SD MET A 424 9.104 0.355 -11.683 1.00 65.01 S ATOM 469 CE MET A 424 8.737 -1.275 -12.336 1.00 32.22 C ATOM 0 H MET A 424 9.749 0.916 -6.662 1.00 23.44 H new ATOM 0 HA MET A 424 10.155 1.953 -9.280 1.00 44.31 H new ATOM 0 HB2 MET A 424 9.192 -0.316 -8.811 1.00 20.13 H new ATOM 0 HB3 MET A 424 7.728 0.426 -8.198 1.00 20.13 H new ATOM 0 HG2 MET A 424 7.234 -0.418 -10.412 1.00 1.53 H new ATOM 0 HG3 MET A 424 7.255 1.330 -10.525 1.00 1.53 H new ATOM 0 HE1 MET A 424 9.409 -1.494 -13.166 1.00 32.22 H new ATOM 0 HE2 MET A 424 8.873 -2.020 -11.552 1.00 32.22 H new ATOM 0 HE3 MET A 424 7.705 -1.303 -12.687 1.00 32.22 H new ATOM 479 N PHE A 425 8.045 3.782 -7.523 1.00 63.12 N ATOM 480 CA PHE A 425 7.179 4.977 -7.564 1.00 62.40 C ATOM 481 C PHE A 425 8.024 6.255 -7.250 1.00 3.11 C ATOM 482 O PHE A 425 7.497 7.365 -7.200 1.00 44.31 O ATOM 483 CB PHE A 425 5.988 4.720 -6.610 1.00 63.54 C ATOM 484 CG PHE A 425 4.598 4.715 -7.229 1.00 12.11 C ATOM 485 CD1 PHE A 425 4.082 3.533 -7.746 1.00 4.34 C ATOM 486 CD2 PHE A 425 3.781 5.859 -7.261 1.00 3.02 C ATOM 487 CE1 PHE A 425 2.819 3.479 -8.283 1.00 53.32 C ATOM 488 CE2 PHE A 425 2.515 5.797 -7.793 1.00 51.22 C ATOM 489 CZ PHE A 425 2.033 4.614 -8.312 1.00 40.44 C ATOM 0 H PHE A 425 8.290 3.475 -6.582 1.00 63.12 H new ATOM 0 HA PHE A 425 6.761 5.162 -8.553 1.00 62.40 H new ATOM 0 HB2 PHE A 425 6.146 3.758 -6.122 1.00 63.54 H new ATOM 0 HB3 PHE A 425 6.009 5.480 -5.829 1.00 63.54 H new ATOM 0 HD1 PHE A 425 4.687 2.638 -7.725 1.00 4.34 H new ATOM 0 HD2 PHE A 425 4.151 6.793 -6.865 1.00 3.02 H new ATOM 0 HE1 PHE A 425 2.441 2.549 -8.682 1.00 53.32 H new ATOM 0 HE2 PHE A 425 1.894 6.680 -7.805 1.00 51.22 H new ATOM 0 HZ PHE A 425 1.042 4.575 -8.740 1.00 40.44 H new ATOM 499 N MET A 426 9.355 6.056 -7.024 1.00 64.24 N ATOM 500 CA MET A 426 10.310 7.085 -6.525 1.00 22.25 C ATOM 501 C MET A 426 10.745 8.195 -7.547 1.00 53.24 C ATOM 502 O MET A 426 10.715 9.361 -7.171 1.00 44.32 O ATOM 503 CB MET A 426 11.614 6.422 -6.056 1.00 33.53 C ATOM 504 CG MET A 426 12.174 6.992 -4.768 1.00 21.34 C ATOM 505 SD MET A 426 13.752 6.260 -4.302 1.00 50.05 S ATOM 506 CE MET A 426 14.049 7.098 -2.743 1.00 74.13 C ATOM 0 H MET A 426 9.802 5.154 -7.188 1.00 64.24 H new ATOM 0 HA MET A 426 9.744 7.570 -5.730 1.00 22.25 H new ATOM 0 HB2 MET A 426 11.437 5.355 -5.921 1.00 33.53 H new ATOM 0 HB3 MET A 426 12.363 6.524 -6.841 1.00 33.53 H new ATOM 0 HG2 MET A 426 12.298 8.069 -4.878 1.00 21.34 H new ATOM 0 HG3 MET A 426 11.455 6.834 -3.964 1.00 21.34 H new ATOM 0 HE1 MET A 426 14.993 6.756 -2.320 1.00 74.13 H new ATOM 0 HE2 MET A 426 14.096 8.174 -2.911 1.00 74.13 H new ATOM 0 HE3 MET A 426 13.238 6.874 -2.049 1.00 74.13 H new ATOM 516 N PRO A 427 11.224 7.854 -8.823 1.00 72.12 N ATOM 517 CA PRO A 427 12.072 8.755 -9.700 1.00 1.51 C ATOM 518 C PRO A 427 11.529 10.183 -10.117 1.00 22.32 C ATOM 519 O PRO A 427 12.222 10.884 -10.858 1.00 55.44 O ATOM 520 CB PRO A 427 12.312 7.839 -10.937 1.00 13.14 C ATOM 521 CG PRO A 427 11.112 6.983 -10.958 1.00 1.14 C ATOM 522 CD PRO A 427 11.034 6.558 -9.544 1.00 74.51 C ATOM 0 HA PRO A 427 12.947 9.083 -9.139 1.00 1.51 H new ATOM 0 HB2 PRO A 427 12.410 8.419 -11.855 1.00 13.14 H new ATOM 0 HB3 PRO A 427 13.224 7.252 -10.833 1.00 13.14 H new ATOM 0 HG2 PRO A 427 10.223 7.529 -11.273 1.00 1.14 H new ATOM 0 HG3 PRO A 427 11.223 6.137 -11.636 1.00 1.14 H new ATOM 0 HD2 PRO A 427 10.075 6.096 -9.308 1.00 74.51 H new ATOM 0 HD3 PRO A 427 11.808 5.833 -9.292 1.00 74.51 H new ATOM 530 N PHE A 428 10.331 10.617 -9.659 1.00 73.25 N ATOM 531 CA PHE A 428 9.868 12.038 -9.840 1.00 10.23 C ATOM 532 C PHE A 428 9.735 12.856 -8.494 1.00 71.11 C ATOM 533 O PHE A 428 9.072 13.897 -8.484 1.00 23.25 O ATOM 534 CB PHE A 428 8.538 12.192 -10.690 1.00 1.31 C ATOM 535 CG PHE A 428 8.200 11.104 -11.713 1.00 23.12 C ATOM 536 CD1 PHE A 428 8.702 11.162 -13.015 1.00 1.11 C ATOM 537 CD2 PHE A 428 7.313 10.073 -11.401 1.00 30.04 C ATOM 538 CE1 PHE A 428 8.338 10.212 -13.962 1.00 61.53 C ATOM 539 CE2 PHE A 428 6.957 9.117 -12.347 1.00 54.31 C ATOM 540 CZ PHE A 428 7.465 9.193 -13.625 1.00 75.23 C ATOM 0 H PHE A 428 9.666 10.022 -9.166 1.00 73.25 H new ATOM 0 HA PHE A 428 10.683 12.474 -10.417 1.00 10.23 H new ATOM 0 HB2 PHE A 428 7.704 12.263 -9.992 1.00 1.31 H new ATOM 0 HB3 PHE A 428 8.591 13.143 -11.221 1.00 1.31 H new ATOM 0 HD1 PHE A 428 9.382 11.955 -13.289 1.00 1.11 H new ATOM 0 HD2 PHE A 428 6.895 10.016 -10.407 1.00 30.04 H new ATOM 0 HE1 PHE A 428 8.738 10.269 -14.964 1.00 61.53 H new ATOM 0 HE2 PHE A 428 6.283 8.316 -12.080 1.00 54.31 H new ATOM 0 HZ PHE A 428 7.182 8.458 -14.364 1.00 75.23 H new ATOM 550 N GLY A 429 10.374 12.426 -7.374 1.00 35.33 N ATOM 551 CA GLY A 429 10.524 13.289 -6.179 1.00 74.34 C ATOM 552 C GLY A 429 9.973 12.668 -4.860 1.00 63.30 C ATOM 553 O GLY A 429 9.475 11.540 -4.899 1.00 22.03 O ATOM 0 H GLY A 429 10.788 11.499 -7.277 1.00 35.33 H new ATOM 0 HA2 GLY A 429 11.581 13.520 -6.043 1.00 74.34 H new ATOM 0 HA3 GLY A 429 10.012 14.234 -6.362 1.00 74.34 H new ATOM 557 N ASN A 430 10.027 13.398 -3.687 1.00 4.31 N ATOM 558 CA ASN A 430 10.074 12.717 -2.355 1.00 12.33 C ATOM 559 C ASN A 430 8.677 12.267 -1.817 1.00 51.25 C ATOM 560 O ASN A 430 7.670 12.963 -1.992 1.00 40.35 O ATOM 561 CB ASN A 430 10.848 13.558 -1.270 1.00 64.04 C ATOM 562 CG ASN A 430 10.128 14.783 -0.697 1.00 2.52 C ATOM 563 OD1 ASN A 430 9.324 15.433 -1.368 1.00 44.33 O ATOM 564 ND2 ASN A 430 10.456 15.118 0.564 1.00 54.14 N ATOM 0 H ASN A 430 10.038 14.417 -3.645 1.00 4.31 H new ATOM 0 HA ASN A 430 10.639 11.804 -2.541 1.00 12.33 H new ATOM 0 HB2 ASN A 430 11.099 12.894 -0.442 1.00 64.04 H new ATOM 0 HB3 ASN A 430 11.789 13.892 -1.708 1.00 64.04 H new ATOM 0 HD21 ASN A 430 10.034 15.938 1.000 1.00 54.14 H new ATOM 0 HD22 ASN A 430 11.126 14.552 1.084 1.00 54.14 H new ATOM 571 N VAL A 431 8.632 11.060 -1.201 1.00 22.01 N ATOM 572 CA VAL A 431 7.373 10.453 -0.702 1.00 10.20 C ATOM 573 C VAL A 431 7.320 10.375 0.872 1.00 61.13 C ATOM 574 O VAL A 431 8.341 10.053 1.495 1.00 0.40 O ATOM 575 CB VAL A 431 7.104 9.042 -1.400 1.00 52.42 C ATOM 576 CG1 VAL A 431 8.363 8.396 -1.919 1.00 2.10 C ATOM 577 CG2 VAL A 431 6.394 8.000 -0.515 1.00 3.35 C ATOM 0 H VAL A 431 9.458 10.485 -1.037 1.00 22.01 H new ATOM 0 HA VAL A 431 6.556 11.116 -0.986 1.00 10.20 H new ATOM 0 HB VAL A 431 6.438 9.314 -2.219 1.00 52.42 H new ATOM 0 HG11 VAL A 431 8.117 7.441 -2.382 1.00 2.10 H new ATOM 0 HG12 VAL A 431 8.829 9.048 -2.658 1.00 2.10 H new ATOM 0 HG13 VAL A 431 9.055 8.231 -1.093 1.00 2.10 H new ATOM 0 HG21 VAL A 431 6.257 7.077 -1.078 1.00 3.35 H new ATOM 0 HG22 VAL A 431 7.000 7.799 0.368 1.00 3.35 H new ATOM 0 HG23 VAL A 431 5.422 8.385 -0.208 1.00 3.35 H new ATOM 587 N ILE A 432 6.139 10.642 1.518 1.00 35.21 N ATOM 588 CA ILE A 432 6.078 10.678 3.017 1.00 33.14 C ATOM 589 C ILE A 432 5.453 9.390 3.696 1.00 45.22 C ATOM 590 O ILE A 432 5.595 9.246 4.910 1.00 13.40 O ATOM 591 CB ILE A 432 5.295 11.927 3.592 1.00 1.15 C ATOM 592 CG1 ILE A 432 5.211 13.061 2.587 1.00 0.53 C ATOM 593 CG2 ILE A 432 5.976 12.518 4.822 1.00 61.14 C ATOM 594 CD1 ILE A 432 4.527 14.358 3.075 1.00 41.20 C ATOM 0 H ILE A 432 5.253 10.828 1.048 1.00 35.21 H new ATOM 0 HA ILE A 432 7.135 10.737 3.275 1.00 33.14 H new ATOM 0 HB ILE A 432 4.305 11.541 3.837 1.00 1.15 H new ATOM 0 HG12 ILE A 432 6.222 13.308 2.264 1.00 0.53 H new ATOM 0 HG13 ILE A 432 4.675 12.701 1.709 1.00 0.53 H new ATOM 0 HG21 ILE A 432 5.402 13.372 5.180 1.00 61.14 H new ATOM 0 HG22 ILE A 432 6.030 11.763 5.606 1.00 61.14 H new ATOM 0 HG23 ILE A 432 6.983 12.842 4.560 1.00 61.14 H new ATOM 0 HD11 ILE A 432 4.527 15.094 2.271 1.00 41.20 H new ATOM 0 HD12 ILE A 432 3.500 14.140 3.367 1.00 41.20 H new ATOM 0 HD13 ILE A 432 5.071 14.756 3.931 1.00 41.20 H new ATOM 606 N SER A 433 4.723 8.486 2.970 1.00 53.44 N ATOM 607 CA SER A 433 4.106 7.277 3.567 1.00 34.00 C ATOM 608 C SER A 433 4.029 6.078 2.592 1.00 71.41 C ATOM 609 O SER A 433 3.631 6.246 1.441 1.00 15.24 O ATOM 610 CB SER A 433 2.698 7.604 4.050 1.00 51.12 C ATOM 611 OG SER A 433 2.263 8.900 3.683 1.00 4.22 O ATOM 0 H SER A 433 4.553 8.581 1.969 1.00 53.44 H new ATOM 0 HA SER A 433 4.751 6.982 4.395 1.00 34.00 H new ATOM 0 HB2 SER A 433 2.003 6.868 3.645 1.00 51.12 H new ATOM 0 HB3 SER A 433 2.664 7.512 5.136 1.00 51.12 H new ATOM 0 HG SER A 433 1.355 9.048 4.020 1.00 4.22 H new ATOM 617 N ALA A 434 4.426 4.878 3.072 1.00 35.11 N ATOM 618 CA ALA A 434 4.196 3.604 2.349 1.00 24.35 C ATOM 619 C ALA A 434 3.537 2.530 3.337 1.00 3.24 C ATOM 620 O ALA A 434 4.155 2.225 4.358 1.00 13.24 O ATOM 621 CB ALA A 434 5.539 3.081 1.758 1.00 32.34 C ATOM 0 H ALA A 434 4.910 4.764 3.962 1.00 35.11 H new ATOM 0 HA ALA A 434 3.506 3.772 1.522 1.00 24.35 H new ATOM 0 HB1 ALA A 434 5.363 2.145 1.228 1.00 32.34 H new ATOM 0 HB2 ALA A 434 5.944 3.819 1.066 1.00 32.34 H new ATOM 0 HB3 ALA A 434 6.251 2.912 2.566 1.00 32.34 H new ATOM 627 N LYS A 435 2.293 1.968 3.076 1.00 34.33 N ATOM 628 CA LYS A 435 1.675 0.905 3.961 1.00 62.51 C ATOM 629 C LYS A 435 0.717 -0.005 3.113 1.00 5.23 C ATOM 630 O LYS A 435 -0.160 0.525 2.414 1.00 51.32 O ATOM 631 CB LYS A 435 0.964 1.470 5.273 1.00 23.43 C ATOM 632 CG LYS A 435 -0.425 2.130 5.177 1.00 4.13 C ATOM 633 CD LYS A 435 -1.549 1.145 5.522 1.00 50.25 C ATOM 634 CE LYS A 435 -2.954 1.690 5.238 1.00 4.05 C ATOM 635 NZ LYS A 435 -3.349 2.811 6.143 1.00 73.14 N ATOM 0 H LYS A 435 1.714 2.230 2.278 1.00 34.33 H new ATOM 0 HA LYS A 435 2.497 0.301 4.344 1.00 62.51 H new ATOM 0 HB2 LYS A 435 0.881 0.643 5.978 1.00 23.43 H new ATOM 0 HB3 LYS A 435 1.639 2.201 5.718 1.00 23.43 H new ATOM 0 HG2 LYS A 435 -0.469 2.983 5.854 1.00 4.13 H new ATOM 0 HG3 LYS A 435 -0.576 2.515 4.168 1.00 4.13 H new ATOM 0 HD2 LYS A 435 -1.403 0.227 4.953 1.00 50.25 H new ATOM 0 HD3 LYS A 435 -1.478 0.881 6.577 1.00 50.25 H new ATOM 0 HE2 LYS A 435 -3.001 2.033 4.205 1.00 4.05 H new ATOM 0 HE3 LYS A 435 -3.677 0.880 5.338 1.00 4.05 H new ATOM 0 HZ1 LYS A 435 -4.307 3.133 5.899 1.00 73.14 H new ATOM 0 HZ2 LYS A 435 -3.335 2.482 7.130 1.00 73.14 H new ATOM 0 HZ3 LYS A 435 -2.680 3.599 6.032 1.00 73.14 H new ATOM 649 N VAL A 436 0.888 -1.370 3.110 1.00 13.41 N ATOM 650 CA VAL A 436 -0.129 -2.265 2.454 1.00 43.24 C ATOM 651 C VAL A 436 -0.967 -2.982 3.571 1.00 41.44 C ATOM 652 O VAL A 436 -0.610 -4.044 4.081 1.00 13.23 O ATOM 653 CB VAL A 436 0.575 -3.280 1.400 1.00 50.04 C ATOM 654 CG1 VAL A 436 -0.186 -4.577 1.054 1.00 60.02 C ATOM 655 CG2 VAL A 436 0.912 -2.639 0.043 1.00 21.40 C ATOM 0 H VAL A 436 1.680 -1.855 3.532 1.00 13.41 H new ATOM 0 HA VAL A 436 -0.823 -1.677 1.853 1.00 43.24 H new ATOM 0 HB VAL A 436 1.465 -3.533 1.975 1.00 50.04 H new ATOM 0 HG11 VAL A 436 0.396 -5.161 0.341 1.00 60.02 H new ATOM 0 HG12 VAL A 436 -0.341 -5.161 1.961 1.00 60.02 H new ATOM 0 HG13 VAL A 436 -1.152 -4.326 0.615 1.00 60.02 H new ATOM 0 HG21 VAL A 436 1.379 -3.381 -0.604 1.00 21.40 H new ATOM 0 HG22 VAL A 436 -0.003 -2.274 -0.424 1.00 21.40 H new ATOM 0 HG23 VAL A 436 1.599 -1.806 0.195 1.00 21.40 H new ATOM 665 N PHE A 437 -2.000 -2.243 4.053 1.00 34.25 N ATOM 666 CA PHE A 437 -3.205 -2.737 4.778 1.00 64.33 C ATOM 667 C PHE A 437 -4.529 -2.269 4.120 1.00 71.03 C ATOM 668 O PHE A 437 -4.537 -1.271 3.400 1.00 4.20 O ATOM 669 CB PHE A 437 -3.244 -2.352 6.277 1.00 32.05 C ATOM 670 CG PHE A 437 -2.526 -3.298 7.241 1.00 2.12 C ATOM 671 CD1 PHE A 437 -3.043 -4.567 7.558 1.00 74.13 C ATOM 672 CD2 PHE A 437 -1.349 -2.904 7.863 1.00 72.41 C ATOM 673 CE1 PHE A 437 -2.386 -5.403 8.460 1.00 44.23 C ATOM 674 CE2 PHE A 437 -0.702 -3.735 8.764 1.00 50.25 C ATOM 675 CZ PHE A 437 -1.220 -4.981 9.058 1.00 63.02 C ATOM 0 H PHE A 437 -2.017 -1.229 3.941 1.00 34.25 H new ATOM 0 HA PHE A 437 -3.118 -3.821 4.707 1.00 64.33 H new ATOM 0 HB2 PHE A 437 -2.809 -1.358 6.386 1.00 32.05 H new ATOM 0 HB3 PHE A 437 -4.287 -2.279 6.584 1.00 32.05 H new ATOM 0 HD1 PHE A 437 -3.961 -4.898 7.096 1.00 74.13 H new ATOM 0 HD2 PHE A 437 -0.930 -1.933 7.641 1.00 72.41 H new ATOM 0 HE1 PHE A 437 -2.790 -6.378 8.689 1.00 44.23 H new ATOM 0 HE2 PHE A 437 0.211 -3.407 9.238 1.00 50.25 H new ATOM 0 HZ PHE A 437 -0.709 -5.625 9.758 1.00 63.02 H new ATOM 866 N GLY A 449 -3.668 -0.029 -1.888 1.00 1.23 N ATOM 867 CA GLY A 449 -2.646 0.690 -1.039 1.00 22.33 C ATOM 868 C GLY A 449 -2.448 2.213 -1.200 1.00 42.32 C ATOM 869 O GLY A 449 -3.038 2.846 -2.072 1.00 53.02 O ATOM 0 HA2 GLY A 449 -2.901 0.504 0.004 1.00 22.33 H new ATOM 0 HA3 GLY A 449 -1.681 0.216 -1.220 1.00 22.33 H new ATOM 873 N PHE A 450 -1.572 2.773 -0.292 1.00 41.55 N ATOM 874 CA PHE A 450 -1.425 4.264 -0.081 1.00 32.41 C ATOM 875 C PHE A 450 -0.026 4.865 -0.560 1.00 1.23 C ATOM 876 O PHE A 450 1.000 4.456 -0.007 1.00 31.42 O ATOM 877 CB PHE A 450 -1.651 4.500 1.466 1.00 53.32 C ATOM 878 CG PHE A 450 -3.078 4.552 1.887 1.00 1.40 C ATOM 879 CD1 PHE A 450 -4.020 3.678 1.401 1.00 64.53 C ATOM 880 CD2 PHE A 450 -3.482 5.538 2.749 1.00 24.34 C ATOM 881 CE1 PHE A 450 -5.315 3.776 1.754 1.00 34.14 C ATOM 882 CE2 PHE A 450 -4.807 5.652 3.114 1.00 3.14 C ATOM 883 CZ PHE A 450 -5.729 4.767 2.609 1.00 71.44 C ATOM 0 H PHE A 450 -0.959 2.216 0.303 1.00 41.55 H new ATOM 0 HA PHE A 450 -2.153 4.790 -0.698 1.00 32.41 H new ATOM 0 HB2 PHE A 450 -1.153 3.703 2.018 1.00 53.32 H new ATOM 0 HB3 PHE A 450 -1.168 5.435 1.751 1.00 53.32 H new ATOM 0 HD1 PHE A 450 -3.715 2.896 0.721 1.00 64.53 H new ATOM 0 HD2 PHE A 450 -2.756 6.232 3.146 1.00 24.34 H new ATOM 0 HE1 PHE A 450 -6.033 3.071 1.362 1.00 34.14 H new ATOM 0 HE2 PHE A 450 -5.118 6.432 3.793 1.00 3.14 H new ATOM 0 HZ PHE A 450 -6.770 4.850 2.882 1.00 71.44 H new ATOM 893 N VAL A 451 0.043 5.819 -1.600 1.00 72.25 N ATOM 894 CA VAL A 451 1.321 6.605 -1.871 1.00 44.24 C ATOM 895 C VAL A 451 1.005 8.166 -1.813 1.00 33.41 C ATOM 896 O VAL A 451 0.210 8.648 -2.625 1.00 44.45 O ATOM 897 CB VAL A 451 1.963 6.312 -3.320 1.00 21.43 C ATOM 898 CG1 VAL A 451 3.489 6.383 -3.328 1.00 42.33 C ATOM 899 CG2 VAL A 451 1.503 5.019 -3.957 1.00 32.15 C ATOM 0 H VAL A 451 -0.733 6.043 -2.224 1.00 72.25 H new ATOM 0 HA VAL A 451 2.032 6.290 -1.107 1.00 44.24 H new ATOM 0 HB VAL A 451 1.578 7.126 -3.934 1.00 21.43 H new ATOM 0 HG11 VAL A 451 3.858 6.176 -4.333 1.00 42.33 H new ATOM 0 HG12 VAL A 451 3.808 7.379 -3.022 1.00 42.33 H new ATOM 0 HG13 VAL A 451 3.891 5.644 -2.635 1.00 42.33 H new ATOM 0 HG21 VAL A 451 1.983 4.901 -4.928 1.00 32.15 H new ATOM 0 HG22 VAL A 451 1.773 4.181 -3.315 1.00 32.15 H new ATOM 0 HG23 VAL A 451 0.421 5.043 -4.088 1.00 32.15 H new ATOM 909 N SER A 452 1.587 8.953 -0.852 1.00 54.54 N ATOM 910 CA SER A 452 1.413 10.423 -0.766 1.00 2.44 C ATOM 911 C SER A 452 2.720 11.187 -1.327 1.00 75.04 C ATOM 912 O SER A 452 3.827 10.697 -1.075 1.00 44.21 O ATOM 913 CB SER A 452 1.179 10.700 0.749 1.00 72.04 C ATOM 914 OG SER A 452 2.391 10.853 1.476 1.00 0.15 O ATOM 0 H SER A 452 2.188 8.575 -0.120 1.00 54.54 H new ATOM 0 HA SER A 452 0.583 10.787 -1.372 1.00 2.44 H new ATOM 0 HB2 SER A 452 0.578 11.603 0.860 1.00 72.04 H new ATOM 0 HB3 SER A 452 0.604 9.880 1.179 1.00 72.04 H new ATOM 0 HG SER A 452 2.403 10.225 2.228 1.00 0.15 H new ATOM 920 N TYR A 453 2.618 12.342 -2.107 1.00 42.33 N ATOM 921 CA TYR A 453 3.831 13.201 -2.455 1.00 12.23 C ATOM 922 C TYR A 453 3.766 14.625 -1.762 1.00 65.21 C ATOM 923 O TYR A 453 2.759 14.925 -1.117 1.00 64.44 O ATOM 924 CB TYR A 453 3.907 13.467 -3.989 1.00 54.24 C ATOM 925 CG TYR A 453 4.335 12.340 -4.930 1.00 31.21 C ATOM 926 CD1 TYR A 453 5.660 11.885 -5.027 1.00 33.31 C ATOM 927 CD2 TYR A 453 3.396 11.756 -5.766 1.00 45.55 C ATOM 928 CE1 TYR A 453 6.002 10.882 -5.919 1.00 34.20 C ATOM 929 CE2 TYR A 453 3.738 10.759 -6.653 1.00 63.31 C ATOM 930 CZ TYR A 453 5.041 10.324 -6.725 1.00 45.14 C ATOM 931 OH TYR A 453 5.384 9.329 -7.612 1.00 40.14 O ATOM 0 H TYR A 453 1.739 12.687 -2.493 1.00 42.33 H new ATOM 0 HA TYR A 453 4.699 12.643 -2.103 1.00 12.23 H new ATOM 0 HB2 TYR A 453 2.922 13.804 -4.311 1.00 54.24 H new ATOM 0 HB3 TYR A 453 4.595 14.299 -4.142 1.00 54.24 H new ATOM 0 HD1 TYR A 453 6.422 12.322 -4.398 1.00 33.31 H new ATOM 0 HD2 TYR A 453 2.370 12.091 -5.721 1.00 45.55 H new ATOM 0 HE1 TYR A 453 7.024 10.539 -5.980 1.00 34.20 H new ATOM 0 HE2 TYR A 453 2.985 10.320 -7.290 1.00 63.31 H new ATOM 0 HH TYR A 453 6.124 8.803 -7.243 1.00 40.14 H new ATOM 941 N ASP A 454 4.837 15.526 -1.892 1.00 53.23 N ATOM 942 CA ASP A 454 4.784 16.875 -1.215 1.00 14.44 C ATOM 943 C ASP A 454 4.124 18.070 -2.019 1.00 14.43 C ATOM 944 O ASP A 454 3.708 19.033 -1.366 1.00 24.22 O ATOM 945 CB ASP A 454 6.151 17.348 -0.544 1.00 22.43 C ATOM 946 CG ASP A 454 5.931 17.893 0.859 1.00 32.12 C ATOM 947 OD1 ASP A 454 5.698 19.116 1.000 1.00 5.43 O ATOM 948 OD2 ASP A 454 6.015 17.112 1.824 1.00 52.05 O ATOM 0 H ASP A 454 5.686 15.344 -2.427 1.00 53.23 H new ATOM 0 HA ASP A 454 4.077 16.641 -0.420 1.00 14.44 H new ATOM 0 HB2 ASP A 454 6.846 16.509 -0.504 1.00 22.43 H new ATOM 0 HB3 ASP A 454 6.614 18.116 -1.164 1.00 22.43 H new ATOM 953 N ASN A 455 3.978 18.070 -3.391 1.00 11.41 N ATOM 954 CA ASN A 455 3.357 19.265 -4.063 1.00 12.51 C ATOM 955 C ASN A 455 2.537 18.947 -5.354 1.00 30.21 C ATOM 956 O ASN A 455 2.953 18.060 -6.095 1.00 35.43 O ATOM 957 CB ASN A 455 4.347 20.444 -4.248 1.00 40.22 C ATOM 958 CG ASN A 455 5.626 20.208 -5.078 1.00 51.23 C ATOM 959 OD1 ASN A 455 6.031 21.091 -5.832 1.00 52.54 O ATOM 960 ND2 ASN A 455 6.310 19.069 -4.919 1.00 3.13 N ATOM 0 H ASN A 455 4.260 17.312 -4.013 1.00 11.41 H new ATOM 0 HA ASN A 455 2.605 19.604 -3.350 1.00 12.51 H new ATOM 0 HB2 ASN A 455 3.800 21.267 -4.708 1.00 40.22 H new ATOM 0 HB3 ASN A 455 4.652 20.779 -3.257 1.00 40.22 H new ATOM 0 HD21 ASN A 455 7.182 18.923 -5.427 1.00 3.13 H new ATOM 0 HD22 ASN A 455 5.959 18.347 -4.289 1.00 3.13 H new ATOM 967 N PRO A 456 1.299 19.622 -5.623 1.00 60.30 N ATOM 968 CA PRO A 456 0.407 19.289 -6.781 1.00 75.53 C ATOM 969 C PRO A 456 1.025 19.207 -8.257 1.00 4.53 C ATOM 970 O PRO A 456 0.310 18.797 -9.175 1.00 61.33 O ATOM 971 CB PRO A 456 -0.754 20.340 -6.696 1.00 65.33 C ATOM 972 CG PRO A 456 -0.391 21.304 -5.636 1.00 44.11 C ATOM 973 CD PRO A 456 0.523 20.553 -4.732 1.00 44.43 C ATOM 0 HA PRO A 456 0.109 18.247 -6.664 1.00 75.53 H new ATOM 0 HB2 PRO A 456 -0.884 20.849 -7.651 1.00 65.33 H new ATOM 0 HB3 PRO A 456 -1.700 19.851 -6.464 1.00 65.33 H new ATOM 0 HG2 PRO A 456 0.100 22.183 -6.053 1.00 44.11 H new ATOM 0 HG3 PRO A 456 -1.274 21.655 -5.102 1.00 44.11 H new ATOM 0 HD2 PRO A 456 1.189 21.230 -4.198 1.00 44.43 H new ATOM 0 HD3 PRO A 456 -0.038 19.999 -3.980 1.00 44.43 H new ATOM 981 N VAL A 457 2.329 19.581 -8.499 1.00 54.11 N ATOM 982 CA VAL A 457 3.019 19.363 -9.842 1.00 31.45 C ATOM 983 C VAL A 457 3.452 17.838 -10.010 1.00 63.13 C ATOM 984 O VAL A 457 3.385 17.299 -11.119 1.00 22.21 O ATOM 985 CB VAL A 457 4.269 20.357 -10.110 1.00 12.00 C ATOM 986 CG1 VAL A 457 4.996 20.111 -11.450 1.00 41.33 C ATOM 987 CG2 VAL A 457 3.904 21.857 -10.110 1.00 55.42 C ATOM 0 H VAL A 457 2.922 20.028 -7.800 1.00 54.11 H new ATOM 0 HA VAL A 457 2.280 19.613 -10.604 1.00 31.45 H new ATOM 0 HB VAL A 457 4.915 20.118 -9.265 1.00 12.00 H new ATOM 0 HG11 VAL A 457 5.820 20.818 -11.552 1.00 41.33 H new ATOM 0 HG12 VAL A 457 5.386 19.093 -11.471 1.00 41.33 H new ATOM 0 HG13 VAL A 457 4.296 20.248 -12.274 1.00 41.33 H new ATOM 0 HG21 VAL A 457 4.800 22.449 -10.297 1.00 55.42 H new ATOM 0 HG22 VAL A 457 3.170 22.053 -10.892 1.00 55.42 H new ATOM 0 HG23 VAL A 457 3.484 22.129 -9.142 1.00 55.42 H new ATOM 997 N SER A 458 3.857 17.116 -8.911 1.00 72.23 N ATOM 998 CA SER A 458 4.292 15.684 -9.022 1.00 32.31 C ATOM 999 C SER A 458 3.137 14.635 -9.256 1.00 12.33 C ATOM 1000 O SER A 458 3.420 13.512 -9.676 1.00 33.52 O ATOM 1001 CB SER A 458 5.249 15.287 -7.853 1.00 31.23 C ATOM 1002 OG SER A 458 5.121 16.145 -6.731 1.00 53.15 O ATOM 0 H SER A 458 3.890 17.493 -7.964 1.00 72.23 H new ATOM 0 HA SER A 458 4.857 15.635 -9.953 1.00 32.31 H new ATOM 0 HB2 SER A 458 5.039 14.262 -7.548 1.00 31.23 H new ATOM 0 HB3 SER A 458 6.279 15.309 -8.208 1.00 31.23 H new ATOM 0 HG SER A 458 5.737 15.856 -6.026 1.00 53.15 H new ATOM 1008 N ALA A 459 1.847 15.000 -9.020 1.00 21.54 N ATOM 1009 CA ALA A 459 0.683 14.097 -9.314 1.00 20.15 C ATOM 1010 C ALA A 459 0.326 13.992 -10.846 1.00 1.20 C ATOM 1011 O ALA A 459 -0.154 12.943 -11.277 1.00 42.52 O ATOM 1012 CB ALA A 459 -0.554 14.457 -8.466 1.00 75.45 C ATOM 0 H ALA A 459 1.581 15.904 -8.630 1.00 21.54 H new ATOM 0 HA ALA A 459 1.012 13.100 -9.020 1.00 20.15 H new ATOM 0 HB1 ALA A 459 -1.372 13.780 -8.710 1.00 75.45 H new ATOM 0 HB2 ALA A 459 -0.309 14.364 -7.408 1.00 75.45 H new ATOM 0 HB3 ALA A 459 -0.856 15.482 -8.680 1.00 75.45 H new ATOM 1018 N GLN A 460 0.608 15.048 -11.671 1.00 34.00 N ATOM 1019 CA GLN A 460 0.245 15.075 -13.119 1.00 32.14 C ATOM 1020 C GLN A 460 1.203 14.191 -13.960 1.00 53.51 C ATOM 1021 O GLN A 460 0.762 13.569 -14.931 1.00 73.41 O ATOM 1022 CB GLN A 460 0.194 16.539 -13.670 1.00 24.44 C ATOM 1023 CG GLN A 460 -0.649 17.542 -12.819 1.00 45.20 C ATOM 1024 CD GLN A 460 0.065 18.827 -12.554 1.00 14.41 C ATOM 1025 OE1 GLN A 460 1.280 18.882 -12.452 1.00 11.22 O ATOM 1026 NE2 GLN A 460 -0.699 19.874 -12.439 1.00 61.42 N ATOM 0 H GLN A 460 1.086 15.891 -11.353 1.00 34.00 H new ATOM 0 HA GLN A 460 -0.757 14.655 -13.210 1.00 32.14 H new ATOM 0 HB2 GLN A 460 1.213 16.918 -13.744 1.00 24.44 H new ATOM 0 HB3 GLN A 460 -0.212 16.515 -14.681 1.00 24.44 H new ATOM 0 HG2 GLN A 460 -1.584 17.753 -13.337 1.00 45.20 H new ATOM 0 HG3 GLN A 460 -0.909 17.075 -11.869 1.00 45.20 H new ATOM 0 HE21 GLN A 460 -1.710 19.780 -12.532 1.00 61.42 H new ATOM 0 HE22 GLN A 460 -0.286 20.789 -12.256 1.00 61.42 H new ATOM 1035 N ALA A 461 2.502 14.109 -13.590 1.00 73.31 N ATOM 1036 CA ALA A 461 3.441 13.220 -14.314 1.00 61.13 C ATOM 1037 C ALA A 461 3.235 11.708 -13.989 1.00 2.15 C ATOM 1038 O ALA A 461 3.369 10.887 -14.903 1.00 33.23 O ATOM 1039 CB ALA A 461 4.920 13.655 -14.156 1.00 43.52 C ATOM 0 H ALA A 461 2.915 14.631 -12.817 1.00 73.31 H new ATOM 0 HA ALA A 461 3.192 13.337 -15.369 1.00 61.13 H new ATOM 0 HB1 ALA A 461 5.562 12.968 -14.707 1.00 43.52 H new ATOM 0 HB2 ALA A 461 5.046 14.664 -14.549 1.00 43.52 H new ATOM 0 HB3 ALA A 461 5.193 13.640 -13.101 1.00 43.52 H new ATOM 1045 N ALA A 462 2.903 11.322 -12.719 1.00 33.32 N ATOM 1046 CA ALA A 462 2.648 9.900 -12.399 1.00 51.41 C ATOM 1047 C ALA A 462 1.343 9.302 -13.015 1.00 51.44 C ATOM 1048 O ALA A 462 1.362 8.129 -13.338 1.00 23.11 O ATOM 1049 CB ALA A 462 2.766 9.606 -10.885 1.00 33.22 C ATOM 0 H ALA A 462 2.810 11.961 -11.929 1.00 33.32 H new ATOM 0 HA ALA A 462 3.453 9.367 -12.904 1.00 51.41 H new ATOM 0 HB1 ALA A 462 2.570 8.549 -10.703 1.00 33.22 H new ATOM 0 HB2 ALA A 462 3.771 9.852 -10.544 1.00 33.22 H new ATOM 0 HB3 ALA A 462 2.040 10.209 -10.340 1.00 33.22 H new ATOM 1055 N ILE A 463 0.230 10.081 -13.225 1.00 11.22 N ATOM 1056 CA ILE A 463 -0.994 9.542 -13.861 1.00 51.41 C ATOM 1057 C ILE A 463 -0.697 9.092 -15.336 1.00 71.15 C ATOM 1058 O ILE A 463 -1.211 8.058 -15.722 1.00 34.11 O ATOM 1059 CB ILE A 463 -2.249 10.538 -13.687 1.00 23.22 C ATOM 1060 CG1 ILE A 463 -2.723 10.530 -12.160 1.00 1.11 C ATOM 1061 CG2 ILE A 463 -3.445 10.206 -14.630 1.00 10.32 C ATOM 1062 CD1 ILE A 463 -3.700 11.627 -11.662 1.00 54.24 C ATOM 0 H ILE A 463 0.168 11.065 -12.964 1.00 11.22 H new ATOM 0 HA ILE A 463 -1.302 8.637 -13.338 1.00 51.41 H new ATOM 0 HB ILE A 463 -1.910 11.533 -13.975 1.00 23.22 H new ATOM 0 HG12 ILE A 463 -3.189 9.564 -11.967 1.00 1.11 H new ATOM 0 HG13 ILE A 463 -1.829 10.582 -11.539 1.00 1.11 H new ATOM 0 HG21 ILE A 463 -4.253 10.917 -14.457 1.00 10.32 H new ATOM 0 HG22 ILE A 463 -3.119 10.272 -15.668 1.00 10.32 H new ATOM 0 HG23 ILE A 463 -3.801 9.196 -14.425 1.00 10.32 H new ATOM 0 HD11 ILE A 463 -3.915 11.470 -10.605 1.00 54.24 H new ATOM 0 HD12 ILE A 463 -3.245 12.608 -11.798 1.00 54.24 H new ATOM 0 HD13 ILE A 463 -4.627 11.575 -12.232 1.00 54.24 H new ATOM 1074 N GLN A 464 0.194 9.788 -16.128 1.00 22.14 N ATOM 1075 CA GLN A 464 0.622 9.241 -17.474 1.00 43.11 C ATOM 1076 C GLN A 464 1.398 7.867 -17.404 1.00 0.31 C ATOM 1077 O GLN A 464 0.956 6.902 -18.028 1.00 61.23 O ATOM 1078 CB GLN A 464 1.452 10.285 -18.315 1.00 54.14 C ATOM 1079 CG GLN A 464 0.690 11.104 -19.382 1.00 14.33 C ATOM 1080 CD GLN A 464 -0.552 11.886 -18.896 1.00 62.53 C ATOM 1081 OE1 GLN A 464 -1.671 11.375 -18.929 1.00 42.05 O ATOM 1082 NE2 GLN A 464 -0.349 13.143 -18.470 1.00 45.14 N ATOM 0 H GLN A 464 0.612 10.684 -15.876 1.00 22.14 H new ATOM 0 HA GLN A 464 -0.320 9.044 -17.986 1.00 43.11 H new ATOM 0 HB2 GLN A 464 1.915 10.985 -17.620 1.00 54.14 H new ATOM 0 HB3 GLN A 464 2.260 9.750 -18.814 1.00 54.14 H new ATOM 0 HG2 GLN A 464 1.386 11.814 -19.829 1.00 14.33 H new ATOM 0 HG3 GLN A 464 0.376 10.424 -20.174 1.00 14.33 H new ATOM 0 HE21 GLN A 464 0.594 13.531 -18.457 1.00 45.14 H new ATOM 0 HE22 GLN A 464 -1.138 13.710 -18.159 1.00 45.14 H new ATOM 1091 N ALA A 465 2.529 7.765 -16.657 1.00 52.11 N ATOM 1092 CA ALA A 465 3.388 6.509 -16.645 1.00 1.54 C ATOM 1093 C ALA A 465 2.853 5.338 -15.714 1.00 63.05 C ATOM 1094 O ALA A 465 3.457 4.267 -15.655 1.00 65.31 O ATOM 1095 CB ALA A 465 4.874 6.858 -16.337 1.00 44.01 C ATOM 0 H ALA A 465 2.879 8.513 -16.059 1.00 52.11 H new ATOM 0 HA ALA A 465 3.319 6.103 -17.654 1.00 1.54 H new ATOM 0 HB1 ALA A 465 5.469 5.945 -16.334 1.00 44.01 H new ATOM 0 HB2 ALA A 465 5.254 7.536 -17.101 1.00 44.01 H new ATOM 0 HB3 ALA A 465 4.940 7.338 -15.361 1.00 44.01 H new ATOM 1101 N MET A 466 1.720 5.566 -15.015 1.00 41.13 N ATOM 1102 CA MET A 466 1.094 4.623 -14.025 1.00 71.52 C ATOM 1103 C MET A 466 -0.350 4.226 -14.398 1.00 10.41 C ATOM 1104 O MET A 466 -0.875 3.286 -13.793 1.00 72.43 O ATOM 1105 CB MET A 466 1.136 5.117 -12.532 1.00 33.15 C ATOM 1106 CG MET A 466 2.472 4.904 -11.780 1.00 42.44 C ATOM 1107 SD MET A 466 3.881 5.808 -12.460 1.00 52.15 S ATOM 1108 CE MET A 466 5.228 5.115 -11.500 1.00 35.12 C ATOM 0 H MET A 466 1.190 6.432 -15.117 1.00 41.13 H new ATOM 0 HA MET A 466 1.730 3.740 -14.088 1.00 71.52 H new ATOM 0 HB2 MET A 466 0.900 6.181 -12.516 1.00 33.15 H new ATOM 0 HB3 MET A 466 0.347 4.607 -11.980 1.00 33.15 H new ATOM 0 HG2 MET A 466 2.337 5.199 -10.739 1.00 42.44 H new ATOM 0 HG3 MET A 466 2.707 3.840 -11.781 1.00 42.44 H new ATOM 0 HE1 MET A 466 6.167 5.575 -11.806 1.00 35.12 H new ATOM 0 HE2 MET A 466 5.057 5.309 -10.441 1.00 35.12 H new ATOM 0 HE3 MET A 466 5.279 4.039 -11.669 1.00 35.12 H new ATOM 1118 N ASN A 467 -1.036 4.899 -15.360 1.00 14.02 N ATOM 1119 CA ASN A 467 -2.247 4.288 -15.884 1.00 32.25 C ATOM 1120 C ASN A 467 -1.814 3.195 -16.938 1.00 62.44 C ATOM 1121 O ASN A 467 -0.933 3.478 -17.758 1.00 14.23 O ATOM 1122 CB ASN A 467 -3.333 5.302 -16.428 1.00 22.50 C ATOM 1123 CG ASN A 467 -2.955 6.327 -17.519 1.00 21.35 C ATOM 1124 OD1 ASN A 467 -3.529 7.413 -17.544 1.00 3.55 O ATOM 1125 ND2 ASN A 467 -2.050 6.023 -18.436 1.00 55.03 N ATOM 0 H ASN A 467 -0.780 5.804 -15.755 1.00 14.02 H new ATOM 0 HA ASN A 467 -2.781 3.820 -15.057 1.00 32.25 H new ATOM 0 HB2 ASN A 467 -4.164 4.711 -16.813 1.00 22.50 H new ATOM 0 HB3 ASN A 467 -3.710 5.863 -15.573 1.00 22.50 H new ATOM 0 HD21 ASN A 467 -1.824 6.693 -19.171 1.00 55.03 H new ATOM 0 HD22 ASN A 467 -1.579 5.119 -18.407 1.00 55.03 H new ATOM 1132 N GLY A 468 -2.364 1.952 -16.922 1.00 23.35 N ATOM 1133 CA GLY A 468 -1.934 0.934 -17.902 1.00 63.30 C ATOM 1134 C GLY A 468 -0.790 -0.043 -17.537 1.00 30.43 C ATOM 1135 O GLY A 468 -0.324 -0.709 -18.460 1.00 1.31 O ATOM 0 H GLY A 468 -3.080 1.643 -16.264 1.00 23.35 H new ATOM 0 HA2 GLY A 468 -2.808 0.333 -18.153 1.00 63.30 H new ATOM 0 HA3 GLY A 468 -1.637 1.460 -18.809 1.00 63.30 H new ATOM 1139 N PHE A 469 -0.319 -0.204 -16.272 1.00 4.11 N ATOM 1140 CA PHE A 469 0.992 -0.898 -16.098 1.00 23.25 C ATOM 1141 C PHE A 469 0.772 -2.453 -16.051 1.00 40.21 C ATOM 1142 O PHE A 469 0.178 -2.963 -15.098 1.00 31.20 O ATOM 1143 CB PHE A 469 1.801 -0.375 -14.847 1.00 61.31 C ATOM 1144 CG PHE A 469 3.329 -0.324 -15.020 1.00 71.12 C ATOM 1145 CD1 PHE A 469 4.099 -1.479 -15.062 1.00 22.41 C ATOM 1146 CD2 PHE A 469 4.001 0.900 -15.118 1.00 22.32 C ATOM 1147 CE1 PHE A 469 5.491 -1.418 -15.198 1.00 63.11 C ATOM 1148 CE2 PHE A 469 5.388 0.956 -15.247 1.00 11.31 C ATOM 1149 CZ PHE A 469 6.121 -0.200 -15.285 1.00 5.22 C ATOM 0 H PHE A 469 -0.781 0.108 -15.418 1.00 4.11 H new ATOM 0 HA PHE A 469 1.611 -0.661 -16.963 1.00 23.25 H new ATOM 0 HB2 PHE A 469 1.447 0.626 -14.600 1.00 61.31 H new ATOM 0 HB3 PHE A 469 1.571 -1.014 -13.994 1.00 61.31 H new ATOM 0 HD1 PHE A 469 3.615 -2.442 -14.988 1.00 22.41 H new ATOM 0 HD2 PHE A 469 3.434 1.819 -15.093 1.00 22.32 H new ATOM 0 HE1 PHE A 469 6.070 -2.329 -15.235 1.00 63.11 H new ATOM 0 HE2 PHE A 469 5.885 1.912 -15.317 1.00 11.31 H new ATOM 0 HZ PHE A 469 7.196 -0.154 -15.383 1.00 5.22 H new ATOM 1159 N GLN A 470 1.249 -3.196 -17.095 1.00 51.22 N ATOM 1160 CA GLN A 470 0.906 -4.630 -17.299 1.00 72.12 C ATOM 1161 C GLN A 470 2.113 -5.583 -16.890 1.00 72.02 C ATOM 1162 O GLN A 470 3.204 -5.451 -17.454 1.00 45.31 O ATOM 1163 CB GLN A 470 0.557 -4.724 -18.827 1.00 25.55 C ATOM 1164 CG GLN A 470 -0.016 -6.040 -19.434 1.00 24.22 C ATOM 1165 CD GLN A 470 -1.527 -6.020 -19.607 1.00 24.53 C ATOM 1166 OE1 GLN A 470 -2.028 -5.472 -20.588 1.00 54.21 O ATOM 1167 NE2 GLN A 470 -2.268 -6.689 -18.725 1.00 73.04 N ATOM 0 H GLN A 470 1.874 -2.819 -17.808 1.00 51.22 H new ATOM 0 HA GLN A 470 0.077 -4.959 -16.673 1.00 72.12 H new ATOM 0 HB2 GLN A 470 -0.162 -3.933 -19.041 1.00 25.55 H new ATOM 0 HB3 GLN A 470 1.466 -4.486 -19.379 1.00 25.55 H new ATOM 0 HG2 GLN A 470 0.451 -6.217 -20.403 1.00 24.22 H new ATOM 0 HG3 GLN A 470 0.257 -6.877 -18.791 1.00 24.22 H new ATOM 0 HE21 GLN A 470 -1.826 -7.134 -17.921 1.00 73.04 H new ATOM 0 HE22 GLN A 470 -3.278 -6.757 -18.854 1.00 73.04 H new ATOM 1176 N ILE A 471 1.923 -6.531 -15.896 1.00 21.11 N ATOM 1177 CA ILE A 471 3.032 -7.413 -15.336 1.00 55.43 C ATOM 1178 C ILE A 471 2.420 -8.836 -15.032 1.00 72.10 C ATOM 1179 O ILE A 471 1.840 -8.997 -13.950 1.00 61.03 O ATOM 1180 CB ILE A 471 3.651 -6.853 -13.954 1.00 41.13 C ATOM 1181 CG1 ILE A 471 3.591 -5.303 -13.934 1.00 50.40 C ATOM 1182 CG2 ILE A 471 5.101 -7.313 -13.701 1.00 2.02 C ATOM 1183 CD1 ILE A 471 4.148 -4.570 -12.703 1.00 1.44 C ATOM 0 H ILE A 471 1.014 -6.704 -15.466 1.00 21.11 H new ATOM 0 HA ILE A 471 3.830 -7.439 -16.078 1.00 55.43 H new ATOM 0 HB ILE A 471 3.040 -7.270 -13.154 1.00 41.13 H new ATOM 0 HG12 ILE A 471 4.127 -4.938 -14.810 1.00 50.40 H new ATOM 0 HG13 ILE A 471 2.548 -5.009 -14.053 1.00 50.40 H new ATOM 0 HG21 ILE A 471 5.454 -6.900 -12.756 1.00 2.02 H new ATOM 0 HG22 ILE A 471 5.135 -8.402 -13.657 1.00 2.02 H new ATOM 0 HG23 ILE A 471 5.740 -6.963 -14.511 1.00 2.02 H new ATOM 0 HD11 ILE A 471 4.035 -3.494 -12.838 1.00 1.44 H new ATOM 0 HD12 ILE A 471 3.601 -4.884 -11.814 1.00 1.44 H new ATOM 0 HD13 ILE A 471 5.204 -4.812 -12.583 1.00 1.44 H new ATOM 1195 N GLY A 472 2.488 -9.857 -15.961 1.00 22.24 N ATOM 1196 CA GLY A 472 1.845 -11.172 -15.703 1.00 14.15 C ATOM 1197 C GLY A 472 0.266 -11.111 -15.784 1.00 32.33 C ATOM 1198 O GLY A 472 -0.258 -10.545 -16.745 1.00 34.02 O ATOM 0 H GLY A 472 2.967 -9.786 -16.859 1.00 22.24 H new ATOM 0 HA2 GLY A 472 2.213 -11.899 -16.427 1.00 14.15 H new ATOM 0 HA3 GLY A 472 2.140 -11.528 -14.716 1.00 14.15 H new ATOM 1202 N MET A 473 -0.490 -11.668 -14.786 1.00 70.24 N ATOM 1203 CA MET A 473 -2.022 -11.728 -14.835 1.00 61.42 C ATOM 1204 C MET A 473 -2.774 -10.519 -14.162 1.00 70.30 C ATOM 1205 O MET A 473 -3.939 -10.673 -13.776 1.00 11.33 O ATOM 1206 CB MET A 473 -2.569 -13.108 -14.275 1.00 74.42 C ATOM 1207 CG MET A 473 -2.183 -13.548 -12.836 1.00 75.42 C ATOM 1208 SD MET A 473 -3.405 -14.643 -12.097 1.00 63.21 S ATOM 1209 CE MET A 473 -2.620 -14.986 -10.522 1.00 5.14 C ATOM 0 H MET A 473 -0.089 -12.080 -13.944 1.00 70.24 H new ATOM 0 HA MET A 473 -2.253 -11.646 -15.897 1.00 61.42 H new ATOM 0 HB2 MET A 473 -3.657 -13.075 -14.327 1.00 74.42 H new ATOM 0 HB3 MET A 473 -2.241 -13.892 -14.957 1.00 74.42 H new ATOM 0 HG2 MET A 473 -1.217 -14.052 -12.861 1.00 75.42 H new ATOM 0 HG3 MET A 473 -2.066 -12.664 -12.209 1.00 75.42 H new ATOM 0 HE1 MET A 473 -3.252 -15.655 -9.938 1.00 5.14 H new ATOM 0 HE2 MET A 473 -1.652 -15.458 -10.693 1.00 5.14 H new ATOM 0 HE3 MET A 473 -2.477 -14.054 -9.976 1.00 5.14 H new ATOM 1219 N LYS A 474 -2.163 -9.302 -14.075 1.00 43.31 N ATOM 1220 CA LYS A 474 -2.812 -8.146 -13.435 1.00 34.34 C ATOM 1221 C LYS A 474 -2.422 -6.830 -14.158 1.00 42.15 C ATOM 1222 O LYS A 474 -1.291 -6.719 -14.650 1.00 63.24 O ATOM 1223 CB LYS A 474 -2.486 -8.021 -11.919 1.00 23.22 C ATOM 1224 CG LYS A 474 -3.445 -8.871 -10.994 1.00 42.11 C ATOM 1225 CD LYS A 474 -3.705 -8.281 -9.591 1.00 61.22 C ATOM 1226 CE LYS A 474 -4.892 -8.934 -8.846 1.00 52.52 C ATOM 1227 NZ LYS A 474 -4.720 -8.828 -7.368 1.00 72.25 N ATOM 0 H LYS A 474 -1.230 -9.109 -14.440 1.00 43.31 H new ATOM 0 HA LYS A 474 -3.885 -8.317 -13.523 1.00 34.34 H new ATOM 0 HB2 LYS A 474 -1.457 -8.338 -11.750 1.00 23.22 H new ATOM 0 HB3 LYS A 474 -2.549 -6.973 -11.628 1.00 23.22 H new ATOM 0 HG2 LYS A 474 -4.402 -8.990 -11.503 1.00 42.11 H new ATOM 0 HG3 LYS A 474 -3.020 -9.868 -10.877 1.00 42.11 H new ATOM 0 HD2 LYS A 474 -2.804 -8.394 -8.988 1.00 61.22 H new ATOM 0 HD3 LYS A 474 -3.893 -7.212 -9.687 1.00 61.22 H new ATOM 0 HE2 LYS A 474 -5.823 -8.450 -9.143 1.00 52.52 H new ATOM 0 HE3 LYS A 474 -4.973 -9.983 -9.132 1.00 52.52 H new ATOM 0 HZ1 LYS A 474 -4.574 -9.776 -6.967 1.00 72.25 H new ATOM 0 HZ2 LYS A 474 -3.895 -8.232 -7.156 1.00 72.25 H new ATOM 0 HZ3 LYS A 474 -5.571 -8.402 -6.949 1.00 72.25 H new ATOM 1241 N ARG A 475 -3.332 -5.838 -14.233 1.00 75.41 N ATOM 1242 CA ARG A 475 -2.918 -4.440 -14.496 1.00 1.23 C ATOM 1243 C ARG A 475 -2.945 -3.599 -13.165 1.00 24.32 C ATOM 1244 O ARG A 475 -3.824 -3.825 -12.338 1.00 42.44 O ATOM 1245 CB ARG A 475 -3.848 -3.650 -15.499 1.00 71.44 C ATOM 1246 CG ARG A 475 -3.865 -4.057 -16.966 1.00 63.23 C ATOM 1247 CD ARG A 475 -3.328 -2.914 -17.869 1.00 63.22 C ATOM 1248 NE ARG A 475 -3.479 -3.211 -19.295 1.00 70.55 N ATOM 1249 CZ ARG A 475 -4.397 -2.667 -20.102 1.00 62.31 C ATOM 1250 NH1 ARG A 475 -5.300 -1.806 -19.631 1.00 70.20 N ATOM 1251 NH2 ARG A 475 -4.425 -3.007 -21.385 1.00 51.50 N ATOM 0 H ARG A 475 -4.337 -5.971 -14.119 1.00 75.41 H new ATOM 0 HA ARG A 475 -1.924 -4.542 -14.931 1.00 1.23 H new ATOM 0 HB2 ARG A 475 -4.870 -3.721 -15.126 1.00 71.44 H new ATOM 0 HB3 ARG A 475 -3.564 -2.599 -15.452 1.00 71.44 H new ATOM 0 HG2 ARG A 475 -3.257 -4.951 -17.106 1.00 63.23 H new ATOM 0 HG3 ARG A 475 -4.882 -4.313 -17.264 1.00 63.23 H new ATOM 0 HD2 ARG A 475 -3.858 -1.991 -17.635 1.00 63.22 H new ATOM 0 HD3 ARG A 475 -2.275 -2.743 -17.646 1.00 63.22 H new ATOM 0 HE ARG A 475 -2.833 -3.886 -19.705 1.00 70.55 H new ATOM 0 HH11 ARG A 475 -5.297 -1.554 -18.643 1.00 70.20 H new ATOM 0 HH12 ARG A 475 -5.993 -1.400 -20.259 1.00 70.20 H new ATOM 0 HH21 ARG A 475 -3.750 -3.679 -21.749 1.00 51.50 H new ATOM 0 HH22 ARG A 475 -5.122 -2.596 -22.006 1.00 51.50 H new ATOM 1265 N LEU A 476 -1.987 -2.656 -12.963 1.00 13.22 N ATOM 1266 CA LEU A 476 -2.166 -1.488 -12.034 1.00 73.31 C ATOM 1267 C LEU A 476 -3.321 -0.516 -12.563 1.00 73.42 C ATOM 1268 O LEU A 476 -3.342 -0.225 -13.768 1.00 73.31 O ATOM 1269 CB LEU A 476 -0.827 -0.660 -12.019 1.00 31.41 C ATOM 1270 CG LEU A 476 -0.518 0.287 -10.839 1.00 1.44 C ATOM 1271 CD1 LEU A 476 0.234 -0.409 -9.686 1.00 53.42 C ATOM 1272 CD2 LEU A 476 0.338 1.458 -11.301 1.00 23.51 C ATOM 0 H LEU A 476 -1.079 -2.675 -13.428 1.00 13.22 H new ATOM 0 HA LEU A 476 -2.427 -1.864 -11.045 1.00 73.31 H new ATOM 0 HB2 LEU A 476 -0.005 -1.372 -12.087 1.00 31.41 H new ATOM 0 HB3 LEU A 476 -0.806 -0.061 -12.929 1.00 31.41 H new ATOM 0 HG LEU A 476 -1.488 0.624 -10.474 1.00 1.44 H new ATOM 0 HD11 LEU A 476 0.421 0.309 -8.888 1.00 53.42 H new ATOM 0 HD12 LEU A 476 -0.370 -1.230 -9.301 1.00 53.42 H new ATOM 0 HD13 LEU A 476 1.183 -0.799 -10.054 1.00 53.42 H new ATOM 0 HD21 LEU A 476 0.545 2.114 -10.455 1.00 23.51 H new ATOM 0 HD22 LEU A 476 1.277 1.084 -11.708 1.00 23.51 H new ATOM 0 HD23 LEU A 476 -0.194 2.016 -12.071 1.00 23.51 H new ATOM 1284 N LYS A 477 -4.282 -0.020 -11.697 1.00 12.44 N ATOM 1285 CA LYS A 477 -5.255 1.085 -12.120 1.00 72.51 C ATOM 1286 C LYS A 477 -5.248 2.214 -11.010 1.00 62.42 C ATOM 1287 O LYS A 477 -5.654 1.941 -9.877 1.00 23.51 O ATOM 1288 CB LYS A 477 -6.731 0.568 -12.471 1.00 21.14 C ATOM 1289 CG LYS A 477 -7.881 1.582 -12.991 1.00 73.51 C ATOM 1290 CD LYS A 477 -7.444 2.827 -13.781 1.00 61.03 C ATOM 1291 CE LYS A 477 -8.667 3.639 -14.312 1.00 10.33 C ATOM 1292 NZ LYS A 477 -8.261 4.974 -14.832 1.00 2.34 N ATOM 0 H LYS A 477 -4.408 -0.347 -10.739 1.00 12.44 H new ATOM 0 HA LYS A 477 -4.904 1.498 -13.066 1.00 72.51 H new ATOM 0 HB2 LYS A 477 -6.623 -0.206 -13.231 1.00 21.14 H new ATOM 0 HB3 LYS A 477 -7.118 0.083 -11.575 1.00 21.14 H new ATOM 0 HG2 LYS A 477 -8.569 1.014 -13.617 1.00 73.51 H new ATOM 0 HG3 LYS A 477 -8.446 1.919 -12.122 1.00 73.51 H new ATOM 0 HD2 LYS A 477 -6.834 3.466 -13.143 1.00 61.03 H new ATOM 0 HD3 LYS A 477 -6.818 2.523 -14.620 1.00 61.03 H new ATOM 0 HE2 LYS A 477 -9.161 3.076 -15.103 1.00 10.33 H new ATOM 0 HE3 LYS A 477 -9.394 3.767 -13.510 1.00 10.33 H new ATOM 0 HZ1 LYS A 477 -9.101 5.483 -15.175 1.00 2.34 H new ATOM 0 HZ2 LYS A 477 -7.812 5.521 -14.070 1.00 2.34 H new ATOM 0 HZ3 LYS A 477 -7.587 4.851 -15.614 1.00 2.34 H new ATOM 1306 N VAL A 478 -4.768 3.468 -11.315 1.00 71.20 N ATOM 1307 CA VAL A 478 -4.571 4.535 -10.310 1.00 12.05 C ATOM 1308 C VAL A 478 -5.845 5.466 -10.206 1.00 30.11 C ATOM 1309 O VAL A 478 -6.416 5.811 -11.248 1.00 12.14 O ATOM 1310 CB VAL A 478 -3.236 5.364 -10.674 1.00 3.33 C ATOM 1311 CG1 VAL A 478 -3.303 6.888 -10.552 1.00 54.34 C ATOM 1312 CG2 VAL A 478 -2.027 4.911 -9.875 1.00 13.55 C ATOM 0 H VAL A 478 -4.513 3.749 -12.262 1.00 71.20 H new ATOM 0 HA VAL A 478 -4.440 4.088 -9.325 1.00 12.05 H new ATOM 0 HB VAL A 478 -3.140 5.130 -11.734 1.00 3.33 H new ATOM 0 HG11 VAL A 478 -2.339 7.318 -10.826 1.00 54.34 H new ATOM 0 HG12 VAL A 478 -4.075 7.273 -11.219 1.00 54.34 H new ATOM 0 HG13 VAL A 478 -3.543 7.161 -9.524 1.00 54.34 H new ATOM 0 HG21 VAL A 478 -1.158 5.504 -10.162 1.00 13.55 H new ATOM 0 HG22 VAL A 478 -2.223 5.045 -8.811 1.00 13.55 H new ATOM 0 HG23 VAL A 478 -1.831 3.858 -10.078 1.00 13.55 H new ATOM 1322 N GLN A 479 -6.323 5.841 -8.965 1.00 35.24 N ATOM 1323 CA GLN A 479 -7.420 6.814 -8.803 1.00 23.33 C ATOM 1324 C GLN A 479 -6.959 7.972 -7.855 1.00 72.25 C ATOM 1325 O GLN A 479 -6.015 7.768 -7.084 1.00 31.11 O ATOM 1326 CB GLN A 479 -8.722 6.101 -8.260 1.00 11.33 C ATOM 1327 CG GLN A 479 -8.470 4.960 -7.216 1.00 20.34 C ATOM 1328 CD GLN A 479 -8.508 5.386 -5.738 1.00 65.24 C ATOM 1329 OE1 GLN A 479 -8.261 6.534 -5.387 1.00 51.13 O ATOM 1330 NE2 GLN A 479 -8.765 4.424 -4.845 1.00 71.02 N ATOM 0 H GLN A 479 -5.956 5.477 -8.086 1.00 35.24 H new ATOM 0 HA GLN A 479 -7.668 7.243 -9.774 1.00 23.33 H new ATOM 0 HB2 GLN A 479 -9.366 6.853 -7.804 1.00 11.33 H new ATOM 0 HB3 GLN A 479 -9.268 5.684 -9.106 1.00 11.33 H new ATOM 0 HG2 GLN A 479 -9.217 4.181 -7.370 1.00 20.34 H new ATOM 0 HG3 GLN A 479 -7.497 4.514 -7.421 1.00 20.34 H new ATOM 0 HE21 GLN A 479 -8.968 3.476 -5.161 1.00 71.02 H new ATOM 0 HE22 GLN A 479 -8.758 4.639 -3.848 1.00 71.02 H new