USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 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 418 GLN : amide:sc= 0.764 K(o=2,f=-2.9) USER MOD Set 1.2: A 419 SER OG : rot 36:sc= 1.21 USER MOD Single : A 404 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 422 MET CE :methyl 159:sc= -1.21 (180deg=-1.94) USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 428 SER OG : rot 150:sc= -0.302 USER MOD Single : A 429 THR OG1 : rot 93:sc= 0.146 USER MOD Single : A 431 TYR OH : rot -129:sc= 1.28 USER MOD Single : A 432 THR OG1 : rot 77:sc= 0.589 USER MOD Single : A 433 GLN : amide:sc= 0.927 K(o=0.93,f=0) USER MOD Single : A 437 MET CE :methyl 161:sc= -1.07 (180deg=-2.03!) USER MOD Single : A 439 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 442 HIS :FLIP no HE2:sc= 0.379 F(o=-1.3,f=0.38) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 71:sc= 0.226 USER MOD Single : A 463 GLN :FLIP amide:sc= -0.0738 F(o=-0.87,f=-0.074) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 CYS SG : rot 65:sc= -0.536 USER MOD Single : A 475 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 403 0.601 2.777 -17.711 1.00 24.15 N ATOM 2 CA GLY A 403 0.272 4.044 -18.351 1.00 71.45 C ATOM 3 C GLY A 403 -0.823 3.880 -19.376 1.00 1.54 C ATOM 4 O GLY A 403 -1.884 3.358 -19.071 1.00 61.21 O ATOM 0 HA2 GLY A 403 -0.041 4.764 -17.595 1.00 71.45 H new ATOM 0 HA3 GLY A 403 1.162 4.452 -18.830 1.00 71.45 H new ATOM 10 N SER A 404 -0.553 4.280 -20.600 1.00 10.30 N ATOM 11 CA SER A 404 -1.534 4.243 -21.668 1.00 50.24 C ATOM 12 C SER A 404 -1.879 2.809 -22.117 1.00 62.35 C ATOM 13 O SER A 404 -2.937 2.576 -22.721 1.00 54.12 O ATOM 14 CB SER A 404 -1.033 5.090 -22.830 1.00 11.30 C ATOM 15 OG SER A 404 0.292 4.714 -23.179 1.00 51.21 O ATOM 0 H SER A 404 0.357 4.642 -20.886 1.00 10.30 H new ATOM 0 HA SER A 404 -2.467 4.659 -21.288 1.00 50.24 H new ATOM 0 HB2 SER A 404 -1.692 4.966 -23.690 1.00 11.30 H new ATOM 0 HB3 SER A 404 -1.059 6.145 -22.558 1.00 11.30 H new ATOM 0 HG SER A 404 0.602 5.265 -23.928 1.00 51.21 H new ATOM 21 N LYS A 405 -1.011 1.860 -21.792 1.00 20.14 N ATOM 22 CA LYS A 405 -1.207 0.460 -22.168 1.00 13.41 C ATOM 23 C LYS A 405 -2.366 -0.199 -21.424 1.00 62.11 C ATOM 24 O LYS A 405 -2.920 -1.183 -21.899 1.00 41.15 O ATOM 25 CB LYS A 405 0.063 -0.375 -21.994 1.00 40.24 C ATOM 26 CG LYS A 405 1.225 0.006 -22.892 1.00 3.11 C ATOM 27 CD LYS A 405 2.404 -0.924 -22.652 1.00 64.30 C ATOM 28 CE LYS A 405 3.588 -0.572 -23.528 1.00 42.22 C ATOM 29 NZ LYS A 405 4.723 -1.483 -23.301 1.00 22.14 N ATOM 0 H LYS A 405 -0.156 2.034 -21.264 1.00 20.14 H new ATOM 0 HA LYS A 405 -1.460 0.485 -23.228 1.00 13.41 H new ATOM 0 HB2 LYS A 405 0.388 -0.298 -20.956 1.00 40.24 H new ATOM 0 HB3 LYS A 405 -0.184 -1.421 -22.173 1.00 40.24 H new ATOM 0 HG2 LYS A 405 0.919 -0.046 -23.937 1.00 3.11 H new ATOM 0 HG3 LYS A 405 1.521 1.037 -22.698 1.00 3.11 H new ATOM 0 HD2 LYS A 405 2.700 -0.872 -21.604 1.00 64.30 H new ATOM 0 HD3 LYS A 405 2.101 -1.953 -22.847 1.00 64.30 H new ATOM 0 HE2 LYS A 405 3.291 -0.615 -24.576 1.00 42.22 H new ATOM 0 HE3 LYS A 405 3.898 0.453 -23.326 1.00 42.22 H new ATOM 0 HZ1 LYS A 405 5.515 -1.211 -23.918 1.00 22.14 H new ATOM 0 HZ2 LYS A 405 5.022 -1.424 -22.307 1.00 22.14 H new ATOM 0 HZ3 LYS A 405 4.434 -2.458 -23.518 1.00 22.14 H new ATOM 43 N ILE A 406 -2.744 0.334 -20.273 1.00 41.32 N ATOM 44 CA ILE A 406 -3.783 -0.310 -19.479 1.00 71.12 C ATOM 45 C ILE A 406 -5.186 0.133 -19.958 1.00 71.04 C ATOM 46 O ILE A 406 -6.187 -0.515 -19.666 1.00 65.01 O ATOM 47 CB ILE A 406 -3.607 -0.015 -17.945 1.00 11.32 C ATOM 48 CG1 ILE A 406 -4.550 -0.867 -17.089 1.00 63.15 C ATOM 49 CG2 ILE A 406 -3.826 1.457 -17.636 1.00 14.03 C ATOM 50 CD1 ILE A 406 -4.288 -2.353 -17.189 1.00 12.15 C ATOM 0 H ILE A 406 -2.359 1.190 -19.873 1.00 41.32 H new ATOM 0 HA ILE A 406 -3.687 -1.386 -19.622 1.00 71.12 H new ATOM 0 HB ILE A 406 -2.580 -0.280 -17.693 1.00 11.32 H new ATOM 0 HG12 ILE A 406 -4.457 -0.560 -16.047 1.00 63.15 H new ATOM 0 HG13 ILE A 406 -5.579 -0.668 -17.390 1.00 63.15 H new ATOM 0 HG21 ILE A 406 -3.697 1.628 -16.567 1.00 14.03 H new ATOM 0 HG22 ILE A 406 -3.103 2.056 -18.189 1.00 14.03 H new ATOM 0 HG23 ILE A 406 -4.836 1.744 -17.930 1.00 14.03 H new ATOM 0 HD11 ILE A 406 -4.994 -2.890 -16.556 1.00 12.15 H new ATOM 0 HD12 ILE A 406 -4.410 -2.675 -18.223 1.00 12.15 H new ATOM 0 HD13 ILE A 406 -3.271 -2.566 -16.860 1.00 12.15 H new ATOM 62 N GLU A 407 -5.232 1.200 -20.753 1.00 21.31 N ATOM 63 CA GLU A 407 -6.493 1.727 -21.273 1.00 43.42 C ATOM 64 C GLU A 407 -7.257 0.668 -22.098 1.00 75.25 C ATOM 65 O GLU A 407 -8.402 0.359 -21.781 1.00 4.45 O ATOM 66 CB GLU A 407 -6.275 3.001 -22.091 1.00 54.31 C ATOM 67 CG GLU A 407 -5.804 4.202 -21.303 1.00 71.04 C ATOM 68 CD GLU A 407 -6.838 4.674 -20.318 1.00 44.51 C ATOM 69 OE1 GLU A 407 -7.892 5.182 -20.756 1.00 71.25 O ATOM 70 OE2 GLU A 407 -6.606 4.580 -19.101 1.00 34.44 O ATOM 0 H GLU A 407 -4.407 1.719 -21.053 1.00 21.31 H new ATOM 0 HA GLU A 407 -7.109 1.984 -20.412 1.00 43.42 H new ATOM 0 HB2 GLU A 407 -5.545 2.791 -22.873 1.00 54.31 H new ATOM 0 HB3 GLU A 407 -7.210 3.258 -22.589 1.00 54.31 H new ATOM 0 HG2 GLU A 407 -4.887 3.949 -20.771 1.00 71.04 H new ATOM 0 HG3 GLU A 407 -5.561 5.013 -21.990 1.00 71.04 H new ATOM 77 N PRO A 408 -6.623 0.051 -23.156 1.00 61.54 N ATOM 78 CA PRO A 408 -7.276 -0.995 -23.965 1.00 23.43 C ATOM 79 C PRO A 408 -7.574 -2.285 -23.166 1.00 40.24 C ATOM 80 O PRO A 408 -8.122 -3.244 -23.706 1.00 31.22 O ATOM 81 CB PRO A 408 -6.254 -1.283 -25.071 1.00 75.20 C ATOM 82 CG PRO A 408 -4.954 -0.863 -24.490 1.00 61.41 C ATOM 83 CD PRO A 408 -5.261 0.339 -23.676 1.00 21.53 C ATOM 0 HA PRO A 408 -8.248 -0.663 -24.330 1.00 23.43 H new ATOM 0 HB2 PRO A 408 -6.246 -2.339 -25.340 1.00 75.20 H new ATOM 0 HB3 PRO A 408 -6.483 -0.725 -25.979 1.00 75.20 H new ATOM 0 HG2 PRO A 408 -4.523 -1.654 -23.877 1.00 61.41 H new ATOM 0 HG3 PRO A 408 -4.229 -0.635 -25.271 1.00 61.41 H new ATOM 0 HD2 PRO A 408 -4.541 0.475 -22.869 1.00 21.53 H new ATOM 0 HD3 PRO A 408 -5.242 1.249 -24.276 1.00 21.53 H new ATOM 91 N VAL A 409 -7.200 -2.300 -21.902 1.00 1.12 N ATOM 92 CA VAL A 409 -7.464 -3.425 -21.033 1.00 55.10 C ATOM 93 C VAL A 409 -8.718 -3.142 -20.193 1.00 62.41 C ATOM 94 O VAL A 409 -9.569 -4.008 -20.028 1.00 54.14 O ATOM 95 CB VAL A 409 -6.259 -3.712 -20.092 1.00 73.44 C ATOM 96 CG1 VAL A 409 -6.527 -4.920 -19.202 1.00 61.14 C ATOM 97 CG2 VAL A 409 -4.974 -3.907 -20.894 1.00 30.03 C ATOM 0 H VAL A 409 -6.704 -1.531 -21.450 1.00 1.12 H new ATOM 0 HA VAL A 409 -7.623 -4.305 -21.656 1.00 55.10 H new ATOM 0 HB VAL A 409 -6.130 -2.843 -19.447 1.00 73.44 H new ATOM 0 HG11 VAL A 409 -5.666 -5.094 -18.556 1.00 61.14 H new ATOM 0 HG12 VAL A 409 -7.408 -4.732 -18.589 1.00 61.14 H new ATOM 0 HG13 VAL A 409 -6.698 -5.799 -19.823 1.00 61.14 H new ATOM 0 HG21 VAL A 409 -4.147 -4.106 -20.213 1.00 30.03 H new ATOM 0 HG22 VAL A 409 -5.094 -4.750 -21.575 1.00 30.03 H new ATOM 0 HG23 VAL A 409 -4.763 -3.005 -21.467 1.00 30.03 H new ATOM 107 N VAL A 410 -8.840 -1.903 -19.717 1.00 3.12 N ATOM 108 CA VAL A 410 -9.955 -1.497 -18.845 1.00 41.00 C ATOM 109 C VAL A 410 -11.301 -1.567 -19.579 1.00 74.43 C ATOM 110 O VAL A 410 -12.292 -2.050 -19.025 1.00 60.35 O ATOM 111 CB VAL A 410 -9.740 -0.055 -18.277 1.00 3.01 C ATOM 112 CG1 VAL A 410 -10.909 0.378 -17.397 1.00 34.33 C ATOM 113 CG2 VAL A 410 -8.442 0.023 -17.489 1.00 73.53 C ATOM 0 H VAL A 410 -8.178 -1.154 -19.920 1.00 3.12 H new ATOM 0 HA VAL A 410 -9.976 -2.202 -18.014 1.00 41.00 H new ATOM 0 HB VAL A 410 -9.682 0.626 -19.126 1.00 3.01 H new ATOM 0 HG11 VAL A 410 -10.727 1.384 -17.019 1.00 34.33 H new ATOM 0 HG12 VAL A 410 -11.828 0.371 -17.983 1.00 34.33 H new ATOM 0 HG13 VAL A 410 -11.009 -0.312 -16.559 1.00 34.33 H new ATOM 0 HG21 VAL A 410 -8.311 1.034 -17.103 1.00 73.53 H new ATOM 0 HG22 VAL A 410 -8.478 -0.681 -16.658 1.00 73.53 H new ATOM 0 HG23 VAL A 410 -7.605 -0.227 -18.141 1.00 73.53 H new ATOM 123 N LEU A 411 -11.320 -1.106 -20.825 1.00 34.51 N ATOM 124 CA LEU A 411 -12.549 -1.120 -21.636 1.00 44.32 C ATOM 125 C LEU A 411 -13.220 -2.502 -21.743 1.00 63.34 C ATOM 126 O LEU A 411 -14.386 -2.630 -21.388 1.00 62.24 O ATOM 127 CB LEU A 411 -12.377 -0.475 -23.017 1.00 32.20 C ATOM 128 CG LEU A 411 -12.348 1.064 -23.077 1.00 53.23 C ATOM 129 CD1 LEU A 411 -11.195 1.660 -22.289 1.00 33.24 C ATOM 130 CD2 LEU A 411 -12.297 1.520 -24.507 1.00 15.13 C ATOM 0 H LEU A 411 -10.506 -0.718 -21.301 1.00 34.51 H new ATOM 0 HA LEU A 411 -13.237 -0.491 -21.072 1.00 44.32 H new ATOM 0 HB2 LEU A 411 -11.449 -0.847 -23.450 1.00 32.20 H new ATOM 0 HB3 LEU A 411 -13.189 -0.823 -23.656 1.00 32.20 H new ATOM 0 HG LEU A 411 -13.265 1.423 -22.610 1.00 53.23 H new ATOM 0 HD11 LEU A 411 -11.224 2.747 -22.367 1.00 33.24 H new ATOM 0 HD12 LEU A 411 -11.281 1.369 -21.242 1.00 33.24 H new ATOM 0 HD13 LEU A 411 -10.251 1.293 -22.692 1.00 33.24 H new ATOM 0 HD21 LEU A 411 -12.277 2.609 -24.541 1.00 15.13 H new ATOM 0 HD22 LEU A 411 -11.399 1.125 -24.983 1.00 15.13 H new ATOM 0 HD23 LEU A 411 -13.178 1.157 -25.036 1.00 15.13 H new ATOM 142 N PRO A 412 -12.511 -3.571 -22.226 1.00 64.32 N ATOM 143 CA PRO A 412 -13.106 -4.905 -22.319 1.00 24.42 C ATOM 144 C PRO A 412 -13.573 -5.425 -20.956 1.00 72.00 C ATOM 145 O PRO A 412 -14.604 -6.105 -20.858 1.00 51.10 O ATOM 146 CB PRO A 412 -11.970 -5.784 -22.853 1.00 60.34 C ATOM 147 CG PRO A 412 -11.053 -4.841 -23.525 1.00 24.42 C ATOM 148 CD PRO A 412 -11.132 -3.565 -22.746 1.00 62.14 C ATOM 0 HA PRO A 412 -13.992 -4.903 -22.954 1.00 24.42 H new ATOM 0 HB2 PRO A 412 -11.468 -6.317 -22.045 1.00 60.34 H new ATOM 0 HB3 PRO A 412 -12.344 -6.536 -23.548 1.00 60.34 H new ATOM 0 HG2 PRO A 412 -10.034 -5.229 -23.537 1.00 24.42 H new ATOM 0 HG3 PRO A 412 -11.346 -4.684 -24.563 1.00 24.42 H new ATOM 0 HD2 PRO A 412 -10.398 -3.539 -21.940 1.00 62.14 H new ATOM 0 HD3 PRO A 412 -10.944 -2.696 -23.377 1.00 62.14 H new ATOM 156 N LEU A 413 -12.817 -5.086 -19.906 1.00 14.41 N ATOM 157 CA LEU A 413 -13.136 -5.518 -18.557 1.00 61.45 C ATOM 158 C LEU A 413 -14.455 -4.936 -18.090 1.00 75.32 C ATOM 159 O LEU A 413 -15.269 -5.637 -17.491 1.00 64.22 O ATOM 160 CB LEU A 413 -12.030 -5.139 -17.580 1.00 41.03 C ATOM 161 CG LEU A 413 -10.653 -5.741 -17.849 1.00 65.13 C ATOM 162 CD1 LEU A 413 -9.700 -5.335 -16.766 1.00 60.24 C ATOM 163 CD2 LEU A 413 -10.715 -7.258 -17.958 1.00 63.54 C ATOM 0 H LEU A 413 -11.978 -4.511 -19.974 1.00 14.41 H new ATOM 0 HA LEU A 413 -13.224 -6.604 -18.581 1.00 61.45 H new ATOM 0 HB2 LEU A 413 -11.934 -4.053 -17.577 1.00 41.03 H new ATOM 0 HB3 LEU A 413 -12.343 -5.434 -16.578 1.00 41.03 H new ATOM 0 HG LEU A 413 -10.298 -5.358 -18.806 1.00 65.13 H new ATOM 0 HD11 LEU A 413 -8.719 -5.768 -16.963 1.00 60.24 H new ATOM 0 HD12 LEU A 413 -9.619 -4.248 -16.741 1.00 60.24 H new ATOM 0 HD13 LEU A 413 -10.068 -5.693 -15.805 1.00 60.24 H new ATOM 0 HD21 LEU A 413 -9.716 -7.650 -18.150 1.00 63.54 H new ATOM 0 HD22 LEU A 413 -11.096 -7.675 -17.025 1.00 63.54 H new ATOM 0 HD23 LEU A 413 -11.378 -7.537 -18.777 1.00 63.54 H new ATOM 175 N LEU A 414 -14.687 -3.674 -18.449 1.00 15.12 N ATOM 176 CA LEU A 414 -15.876 -2.924 -18.043 1.00 54.13 C ATOM 177 C LEU A 414 -17.155 -3.653 -18.410 1.00 51.02 C ATOM 178 O LEU A 414 -18.099 -3.692 -17.615 1.00 35.04 O ATOM 179 CB LEU A 414 -15.865 -1.534 -18.706 1.00 5.12 C ATOM 180 CG LEU A 414 -17.118 -0.661 -18.516 1.00 43.31 C ATOM 181 CD1 LEU A 414 -17.366 -0.352 -17.052 1.00 50.33 C ATOM 182 CD2 LEU A 414 -17.010 0.620 -19.328 1.00 72.12 C ATOM 0 H LEU A 414 -14.048 -3.137 -19.036 1.00 15.12 H new ATOM 0 HA LEU A 414 -15.849 -2.821 -16.958 1.00 54.13 H new ATOM 0 HB2 LEU A 414 -15.006 -0.983 -18.323 1.00 5.12 H new ATOM 0 HB3 LEU A 414 -15.705 -1.670 -19.776 1.00 5.12 H new ATOM 0 HG LEU A 414 -17.974 -1.229 -18.881 1.00 43.31 H new ATOM 0 HD11 LEU A 414 -18.259 0.266 -16.957 1.00 50.33 H new ATOM 0 HD12 LEU A 414 -17.509 -1.283 -16.503 1.00 50.33 H new ATOM 0 HD13 LEU A 414 -16.509 0.183 -16.643 1.00 50.33 H new ATOM 0 HD21 LEU A 414 -17.906 1.222 -19.179 1.00 72.12 H new ATOM 0 HD22 LEU A 414 -16.136 1.184 -19.003 1.00 72.12 H new ATOM 0 HD23 LEU A 414 -16.910 0.373 -20.385 1.00 72.12 H new ATOM 194 N TRP A 415 -17.177 -4.257 -19.582 1.00 74.12 N ATOM 195 CA TRP A 415 -18.358 -4.945 -20.058 1.00 13.12 C ATOM 196 C TRP A 415 -18.733 -6.134 -19.177 1.00 52.21 C ATOM 197 O TRP A 415 -19.908 -6.414 -18.979 1.00 33.30 O ATOM 198 CB TRP A 415 -18.217 -5.353 -21.521 1.00 13.24 C ATOM 199 CG TRP A 415 -18.017 -4.176 -22.427 1.00 32.21 C ATOM 200 CD1 TRP A 415 -16.883 -3.841 -23.101 1.00 54.31 C ATOM 201 CD2 TRP A 415 -18.978 -3.153 -22.726 1.00 2.15 C ATOM 202 NE1 TRP A 415 -17.083 -2.682 -23.807 1.00 42.23 N ATOM 203 CE2 TRP A 415 -18.356 -2.240 -23.594 1.00 15.11 C ATOM 204 CE3 TRP A 415 -20.305 -2.923 -22.347 1.00 11.32 C ATOM 205 CZ2 TRP A 415 -19.013 -1.115 -24.092 1.00 61.11 C ATOM 206 CZ3 TRP A 415 -20.953 -1.808 -22.838 1.00 24.35 C ATOM 207 CH2 TRP A 415 -20.306 -0.917 -23.702 1.00 63.01 C ATOM 0 H TRP A 415 -16.385 -4.284 -20.224 1.00 74.12 H new ATOM 0 HA TRP A 415 -19.182 -4.235 -19.992 1.00 13.12 H new ATOM 0 HB2 TRP A 415 -17.373 -6.035 -21.625 1.00 13.24 H new ATOM 0 HB3 TRP A 415 -19.108 -5.899 -21.830 1.00 13.24 H new ATOM 0 HD1 TRP A 415 -15.962 -4.404 -23.083 1.00 54.31 H new ATOM 0 HE1 TRP A 415 -16.390 -2.223 -24.398 1.00 42.23 H new ATOM 0 HE3 TRP A 415 -20.813 -3.606 -21.682 1.00 11.32 H new ATOM 0 HZ2 TRP A 415 -18.518 -0.427 -24.761 1.00 61.11 H new ATOM 0 HZ3 TRP A 415 -21.977 -1.620 -22.551 1.00 24.35 H new ATOM 0 HH2 TRP A 415 -20.842 -0.054 -24.068 1.00 63.01 H new ATOM 218 N PHE A 416 -17.745 -6.801 -18.615 1.00 20.12 N ATOM 219 CA PHE A 416 -18.013 -7.951 -17.769 1.00 62.42 C ATOM 220 C PHE A 416 -18.564 -7.519 -16.426 1.00 1.40 C ATOM 221 O PHE A 416 -19.486 -8.157 -15.879 1.00 41.43 O ATOM 222 CB PHE A 416 -16.783 -8.835 -17.587 1.00 3.21 C ATOM 223 CG PHE A 416 -16.286 -9.472 -18.855 1.00 44.22 C ATOM 224 CD1 PHE A 416 -16.878 -10.627 -19.338 1.00 32.50 C ATOM 225 CD2 PHE A 416 -15.226 -8.925 -19.554 1.00 75.24 C ATOM 226 CE1 PHE A 416 -16.423 -11.222 -20.498 1.00 65.25 C ATOM 227 CE2 PHE A 416 -14.766 -9.515 -20.715 1.00 60.51 C ATOM 228 CZ PHE A 416 -15.366 -10.664 -21.188 1.00 71.42 C ATOM 0 H PHE A 416 -16.757 -6.571 -18.726 1.00 20.12 H new ATOM 0 HA PHE A 416 -18.768 -8.550 -18.279 1.00 62.42 H new ATOM 0 HB2 PHE A 416 -15.980 -8.236 -17.156 1.00 3.21 H new ATOM 0 HB3 PHE A 416 -17.017 -9.620 -16.868 1.00 3.21 H new ATOM 0 HD1 PHE A 416 -17.705 -11.067 -18.801 1.00 32.50 H new ATOM 0 HD2 PHE A 416 -14.752 -8.026 -19.188 1.00 75.24 H new ATOM 0 HE1 PHE A 416 -16.893 -12.122 -20.865 1.00 65.25 H new ATOM 0 HE2 PHE A 416 -13.937 -9.077 -21.252 1.00 60.51 H new ATOM 0 HZ PHE A 416 -15.009 -11.126 -22.097 1.00 71.42 H new ATOM 238 N GLU A 417 -18.038 -6.421 -15.909 1.00 14.50 N ATOM 239 CA GLU A 417 -18.467 -5.917 -14.633 1.00 41.31 C ATOM 240 C GLU A 417 -19.820 -5.290 -14.716 1.00 32.22 C ATOM 241 O GLU A 417 -20.643 -5.470 -13.817 1.00 74.51 O ATOM 242 CB GLU A 417 -17.467 -4.949 -13.990 1.00 34.24 C ATOM 243 CG GLU A 417 -16.235 -5.601 -13.362 1.00 25.20 C ATOM 244 CD GLU A 417 -15.263 -6.196 -14.332 1.00 73.22 C ATOM 245 OE1 GLU A 417 -15.449 -7.356 -14.748 1.00 42.14 O ATOM 246 OE2 GLU A 417 -14.265 -5.526 -14.651 1.00 53.30 O ATOM 0 H GLU A 417 -17.312 -5.866 -16.362 1.00 14.50 H new ATOM 0 HA GLU A 417 -18.523 -6.789 -13.981 1.00 41.31 H new ATOM 0 HB2 GLU A 417 -17.135 -4.240 -14.748 1.00 34.24 H new ATOM 0 HB3 GLU A 417 -17.985 -4.375 -13.222 1.00 34.24 H new ATOM 0 HG2 GLU A 417 -15.714 -4.854 -12.763 1.00 25.20 H new ATOM 0 HG3 GLU A 417 -16.566 -6.383 -12.679 1.00 25.20 H new ATOM 253 N GLN A 418 -20.086 -4.588 -15.799 1.00 50.40 N ATOM 254 CA GLN A 418 -21.362 -3.935 -15.945 1.00 43.13 C ATOM 255 C GLN A 418 -22.484 -4.950 -16.175 1.00 41.45 C ATOM 256 O GLN A 418 -23.652 -4.659 -15.935 1.00 51.33 O ATOM 257 CB GLN A 418 -21.310 -2.765 -16.975 1.00 31.53 C ATOM 258 CG GLN A 418 -21.052 -3.121 -18.446 1.00 23.54 C ATOM 259 CD GLN A 418 -22.257 -3.679 -19.175 1.00 1.45 C ATOM 260 OE1 GLN A 418 -22.486 -4.869 -19.201 1.00 33.31 O ATOM 261 NE2 GLN A 418 -23.026 -2.815 -19.775 1.00 51.12 N ATOM 0 H GLN A 418 -19.442 -4.458 -16.579 1.00 50.40 H new ATOM 0 HA GLN A 418 -21.609 -3.448 -15.002 1.00 43.13 H new ATOM 0 HB2 GLN A 418 -22.257 -2.228 -16.921 1.00 31.53 H new ATOM 0 HB3 GLN A 418 -20.532 -2.072 -16.656 1.00 31.53 H new ATOM 0 HG2 GLN A 418 -20.708 -2.228 -18.968 1.00 23.54 H new ATOM 0 HG3 GLN A 418 -20.243 -3.850 -18.494 1.00 23.54 H new ATOM 0 HE21 GLN A 418 -22.805 -1.820 -19.734 1.00 51.12 H new ATOM 0 HE22 GLN A 418 -23.849 -3.134 -20.286 1.00 51.12 H new ATOM 270 N SER A 419 -22.111 -6.148 -16.614 1.00 35.43 N ATOM 271 CA SER A 419 -23.058 -7.236 -16.766 1.00 13.44 C ATOM 272 C SER A 419 -23.188 -8.009 -15.452 1.00 13.03 C ATOM 273 O SER A 419 -24.232 -8.585 -15.162 1.00 75.44 O ATOM 274 CB SER A 419 -22.606 -8.191 -17.879 1.00 12.44 C ATOM 275 OG SER A 419 -22.512 -7.527 -19.126 1.00 40.03 O ATOM 0 H SER A 419 -21.153 -6.386 -16.871 1.00 35.43 H new ATOM 0 HA SER A 419 -24.026 -6.812 -17.034 1.00 13.44 H new ATOM 0 HB2 SER A 419 -21.638 -8.621 -17.620 1.00 12.44 H new ATOM 0 HB3 SER A 419 -23.311 -9.018 -17.958 1.00 12.44 H new ATOM 0 HG SER A 419 -22.184 -6.614 -18.987 1.00 40.03 H new ATOM 281 N GLY A 420 -22.119 -7.995 -14.659 1.00 10.11 N ATOM 282 CA GLY A 420 -22.100 -8.758 -13.431 1.00 21.10 C ATOM 283 C GLY A 420 -21.898 -10.218 -13.742 1.00 25.24 C ATOM 284 O GLY A 420 -22.323 -11.089 -12.997 1.00 51.03 O ATOM 0 H GLY A 420 -21.267 -7.467 -14.849 1.00 10.11 H new ATOM 0 HA2 GLY A 420 -21.300 -8.401 -12.782 1.00 21.10 H new ATOM 0 HA3 GLY A 420 -23.036 -8.618 -12.890 1.00 21.10 H new ATOM 288 N ALA A 421 -21.187 -10.456 -14.838 1.00 33.10 N ATOM 289 CA ALA A 421 -20.984 -11.788 -15.413 1.00 71.31 C ATOM 290 C ALA A 421 -20.270 -12.762 -14.466 1.00 64.11 C ATOM 291 O ALA A 421 -20.417 -13.978 -14.583 1.00 74.34 O ATOM 292 CB ALA A 421 -20.231 -11.664 -16.729 1.00 33.21 C ATOM 0 H ALA A 421 -20.724 -9.716 -15.365 1.00 33.10 H new ATOM 0 HA ALA A 421 -21.971 -12.216 -15.587 1.00 71.31 H new ATOM 0 HB1 ALA A 421 -20.080 -12.655 -17.157 1.00 33.21 H new ATOM 0 HB2 ALA A 421 -20.809 -11.054 -17.423 1.00 33.21 H new ATOM 0 HB3 ALA A 421 -19.264 -11.194 -16.552 1.00 33.21 H new ATOM 298 N MET A 422 -19.504 -12.232 -13.538 1.00 31.22 N ATOM 299 CA MET A 422 -18.766 -13.068 -12.600 1.00 12.43 C ATOM 300 C MET A 422 -19.626 -13.442 -11.408 1.00 33.21 C ATOM 301 O MET A 422 -19.239 -14.285 -10.595 1.00 73.33 O ATOM 302 CB MET A 422 -17.483 -12.376 -12.098 1.00 3.42 C ATOM 303 CG MET A 422 -16.451 -12.024 -13.173 1.00 55.31 C ATOM 304 SD MET A 422 -17.029 -10.783 -14.361 1.00 51.43 S ATOM 305 CE MET A 422 -17.364 -9.399 -13.268 1.00 54.21 C ATOM 0 H MET A 422 -19.372 -11.229 -13.408 1.00 31.22 H new ATOM 0 HA MET A 422 -18.485 -13.970 -13.144 1.00 12.43 H new ATOM 0 HB2 MET A 422 -17.766 -11.460 -11.579 1.00 3.42 H new ATOM 0 HB3 MET A 422 -17.007 -13.025 -11.363 1.00 3.42 H new ATOM 0 HG2 MET A 422 -15.546 -11.657 -12.689 1.00 55.31 H new ATOM 0 HG3 MET A 422 -16.178 -12.931 -13.713 1.00 55.31 H new ATOM 0 HE1 MET A 422 -17.363 -8.473 -13.843 1.00 54.21 H new ATOM 0 HE2 MET A 422 -18.338 -9.534 -12.798 1.00 54.21 H new ATOM 0 HE3 MET A 422 -16.594 -9.349 -12.498 1.00 54.21 H new ATOM 315 N GLY A 423 -20.801 -12.829 -11.310 1.00 44.23 N ATOM 316 CA GLY A 423 -21.682 -13.102 -10.197 1.00 43.54 C ATOM 317 C GLY A 423 -21.147 -12.549 -8.890 1.00 32.54 C ATOM 318 O GLY A 423 -21.353 -13.145 -7.829 1.00 14.23 O ATOM 0 H GLY A 423 -21.156 -12.149 -11.982 1.00 44.23 H new ATOM 0 HA2 GLY A 423 -22.662 -12.669 -10.398 1.00 43.54 H new ATOM 0 HA3 GLY A 423 -21.822 -14.179 -10.103 1.00 43.54 H new ATOM 322 N GLY A 424 -20.444 -11.438 -8.963 1.00 74.51 N ATOM 323 CA GLY A 424 -19.860 -10.868 -7.780 1.00 14.44 C ATOM 324 C GLY A 424 -20.371 -9.476 -7.481 1.00 33.34 C ATOM 325 O GLY A 424 -21.445 -9.071 -7.964 1.00 71.13 O ATOM 0 H GLY A 424 -20.267 -10.920 -9.824 1.00 74.51 H new ATOM 0 HA2 GLY A 424 -20.069 -11.517 -6.929 1.00 14.44 H new ATOM 0 HA3 GLY A 424 -18.777 -10.834 -7.896 1.00 14.44 H new ATOM 329 N LYS A 425 -19.593 -8.737 -6.721 1.00 52.24 N ATOM 330 CA LYS A 425 -19.946 -7.394 -6.278 1.00 65.03 C ATOM 331 C LYS A 425 -20.000 -6.401 -7.430 1.00 44.31 C ATOM 332 O LYS A 425 -19.260 -6.544 -8.418 1.00 24.14 O ATOM 333 CB LYS A 425 -18.953 -6.923 -5.223 1.00 11.31 C ATOM 334 CG LYS A 425 -18.958 -7.792 -3.995 1.00 54.45 C ATOM 335 CD LYS A 425 -17.965 -7.330 -2.966 1.00 32.52 C ATOM 336 CE LYS A 425 -18.040 -8.217 -1.752 1.00 34.54 C ATOM 337 NZ LYS A 425 -17.091 -7.818 -0.708 1.00 4.52 N ATOM 0 H LYS A 425 -18.683 -9.051 -6.385 1.00 52.24 H new ATOM 0 HA LYS A 425 -20.947 -7.441 -5.849 1.00 65.03 H new ATOM 0 HB2 LYS A 425 -17.951 -6.912 -5.652 1.00 11.31 H new ATOM 0 HB3 LYS A 425 -19.189 -5.898 -4.939 1.00 11.31 H new ATOM 0 HG2 LYS A 425 -19.957 -7.794 -3.558 1.00 54.45 H new ATOM 0 HG3 LYS A 425 -18.732 -8.820 -4.279 1.00 54.45 H new ATOM 0 HD2 LYS A 425 -16.958 -7.353 -3.383 1.00 32.52 H new ATOM 0 HD3 LYS A 425 -18.171 -6.297 -2.686 1.00 32.52 H new ATOM 0 HE2 LYS A 425 -19.052 -8.191 -1.348 1.00 34.54 H new ATOM 0 HE3 LYS A 425 -17.841 -9.248 -2.046 1.00 34.54 H new ATOM 0 HZ1 LYS A 425 -17.181 -8.459 0.106 1.00 4.52 H new ATOM 0 HZ2 LYS A 425 -16.122 -7.868 -1.082 1.00 4.52 H new ATOM 0 HZ3 LYS A 425 -17.296 -6.844 -0.406 1.00 4.52 H new ATOM 351 N PRO A 426 -20.892 -5.394 -7.345 1.00 60.32 N ATOM 352 CA PRO A 426 -21.010 -4.367 -8.360 1.00 41.13 C ATOM 353 C PRO A 426 -19.782 -3.448 -8.408 1.00 51.34 C ATOM 354 O PRO A 426 -19.668 -2.465 -7.664 1.00 3.31 O ATOM 355 CB PRO A 426 -22.280 -3.593 -7.989 1.00 41.51 C ATOM 356 CG PRO A 426 -22.471 -3.851 -6.535 1.00 12.33 C ATOM 357 CD PRO A 426 -21.872 -5.202 -6.255 1.00 22.31 C ATOM 0 HA PRO A 426 -21.068 -4.800 -9.359 1.00 41.13 H new ATOM 0 HB2 PRO A 426 -22.167 -2.528 -8.190 1.00 41.51 H new ATOM 0 HB3 PRO A 426 -23.137 -3.938 -8.568 1.00 41.51 H new ATOM 0 HG2 PRO A 426 -21.984 -3.080 -5.938 1.00 12.33 H new ATOM 0 HG3 PRO A 426 -23.529 -3.835 -6.275 1.00 12.33 H new ATOM 0 HD2 PRO A 426 -21.391 -5.230 -5.277 1.00 22.31 H new ATOM 0 HD3 PRO A 426 -22.632 -5.984 -6.259 1.00 22.31 H new ATOM 365 N LEU A 427 -18.845 -3.829 -9.234 1.00 45.42 N ATOM 366 CA LEU A 427 -17.624 -3.087 -9.457 1.00 24.44 C ATOM 367 C LEU A 427 -17.890 -1.842 -10.288 1.00 25.53 C ATOM 368 O LEU A 427 -17.134 -0.872 -10.239 1.00 23.13 O ATOM 369 CB LEU A 427 -16.557 -3.981 -10.087 1.00 20.11 C ATOM 370 CG LEU A 427 -16.152 -5.217 -9.257 1.00 23.52 C ATOM 371 CD1 LEU A 427 -15.100 -6.033 -9.979 1.00 63.04 C ATOM 372 CD2 LEU A 427 -15.649 -4.810 -7.875 1.00 60.33 C ATOM 0 H LEU A 427 -18.907 -4.684 -9.786 1.00 45.42 H new ATOM 0 HA LEU A 427 -17.240 -2.753 -8.493 1.00 24.44 H new ATOM 0 HB2 LEU A 427 -16.918 -4.320 -11.058 1.00 20.11 H new ATOM 0 HB3 LEU A 427 -15.666 -3.380 -10.270 1.00 20.11 H new ATOM 0 HG LEU A 427 -17.041 -5.835 -9.130 1.00 23.52 H new ATOM 0 HD11 LEU A 427 -14.832 -6.898 -9.373 1.00 63.04 H new ATOM 0 HD12 LEU A 427 -15.495 -6.370 -10.938 1.00 63.04 H new ATOM 0 HD13 LEU A 427 -14.215 -5.419 -10.147 1.00 63.04 H new ATOM 0 HD21 LEU A 427 -15.371 -5.701 -7.312 1.00 60.33 H new ATOM 0 HD22 LEU A 427 -14.779 -4.161 -7.981 1.00 60.33 H new ATOM 0 HD23 LEU A 427 -16.437 -4.277 -7.344 1.00 60.33 H new ATOM 384 N SER A 428 -18.984 -1.886 -11.048 1.00 32.05 N ATOM 385 CA SER A 428 -19.411 -0.814 -11.943 1.00 53.05 C ATOM 386 C SER A 428 -19.486 0.542 -11.216 1.00 72.41 C ATOM 387 O SER A 428 -19.262 1.588 -11.828 1.00 43.31 O ATOM 388 CB SER A 428 -20.791 -1.174 -12.473 1.00 1.11 C ATOM 389 OG SER A 428 -20.787 -2.495 -12.982 1.00 64.55 O ATOM 0 H SER A 428 -19.613 -2.689 -11.058 1.00 32.05 H new ATOM 0 HA SER A 428 -18.685 -0.715 -12.750 1.00 53.05 H new ATOM 0 HB2 SER A 428 -21.530 -1.085 -11.676 1.00 1.11 H new ATOM 0 HB3 SER A 428 -21.082 -0.475 -13.257 1.00 1.11 H new ATOM 0 HG SER A 428 -21.677 -2.890 -12.873 1.00 64.55 H new ATOM 395 N THR A 429 -19.769 0.506 -9.908 1.00 73.44 N ATOM 396 CA THR A 429 -19.849 1.699 -9.083 1.00 53.53 C ATOM 397 C THR A 429 -18.540 2.513 -9.197 1.00 41.55 C ATOM 398 O THR A 429 -18.562 3.751 -9.302 1.00 55.42 O ATOM 399 CB THR A 429 -20.064 1.296 -7.609 1.00 42.25 C ATOM 400 OG1 THR A 429 -21.144 0.345 -7.535 1.00 13.35 O ATOM 401 CG2 THR A 429 -20.422 2.515 -6.766 1.00 31.04 C ATOM 0 H THR A 429 -19.948 -0.359 -9.398 1.00 73.44 H new ATOM 0 HA THR A 429 -20.685 2.308 -9.427 1.00 53.53 H new ATOM 0 HB THR A 429 -19.142 0.859 -7.226 1.00 42.25 H new ATOM 0 HG1 THR A 429 -20.782 -0.565 -7.570 1.00 13.35 H new ATOM 0 HG21 THR A 429 -20.570 2.210 -5.730 1.00 31.04 H new ATOM 0 HG22 THR A 429 -19.613 3.244 -6.818 1.00 31.04 H new ATOM 0 HG23 THR A 429 -21.340 2.964 -7.146 1.00 31.04 H new ATOM 409 N PHE A 430 -17.416 1.802 -9.216 1.00 10.31 N ATOM 410 CA PHE A 430 -16.114 2.419 -9.328 1.00 13.05 C ATOM 411 C PHE A 430 -15.890 2.942 -10.730 1.00 24.15 C ATOM 412 O PHE A 430 -15.493 4.076 -10.910 1.00 3.44 O ATOM 413 CB PHE A 430 -15.016 1.422 -8.971 1.00 2.24 C ATOM 414 CG PHE A 430 -15.121 0.915 -7.576 1.00 41.21 C ATOM 415 CD1 PHE A 430 -14.615 1.653 -6.528 1.00 62.04 C ATOM 416 CD2 PHE A 430 -15.730 -0.293 -7.310 1.00 62.43 C ATOM 417 CE1 PHE A 430 -14.715 1.200 -5.239 1.00 61.20 C ATOM 418 CE2 PHE A 430 -15.835 -0.757 -6.025 1.00 30.31 C ATOM 419 CZ PHE A 430 -15.326 -0.011 -4.981 1.00 63.25 C ATOM 0 H PHE A 430 -17.391 0.784 -9.154 1.00 10.31 H new ATOM 0 HA PHE A 430 -16.076 3.254 -8.629 1.00 13.05 H new ATOM 0 HB2 PHE A 430 -15.059 0.580 -9.662 1.00 2.24 H new ATOM 0 HB3 PHE A 430 -14.044 1.896 -9.107 1.00 2.24 H new ATOM 0 HD1 PHE A 430 -14.134 2.600 -6.725 1.00 62.04 H new ATOM 0 HD2 PHE A 430 -16.129 -0.880 -8.124 1.00 62.43 H new ATOM 0 HE1 PHE A 430 -14.317 1.789 -4.426 1.00 61.20 H new ATOM 0 HE2 PHE A 430 -16.315 -1.704 -5.829 1.00 30.31 H new ATOM 0 HZ PHE A 430 -15.405 -0.373 -3.967 1.00 63.25 H new ATOM 429 N TYR A 431 -16.180 2.109 -11.718 1.00 35.40 N ATOM 430 CA TYR A 431 -15.970 2.461 -13.128 1.00 32.41 C ATOM 431 C TYR A 431 -16.724 3.722 -13.547 1.00 13.24 C ATOM 432 O TYR A 431 -16.167 4.582 -14.230 1.00 65.01 O ATOM 433 CB TYR A 431 -16.351 1.310 -14.061 1.00 41.22 C ATOM 434 CG TYR A 431 -15.459 0.088 -13.995 1.00 21.04 C ATOM 435 CD1 TYR A 431 -14.300 0.022 -14.754 1.00 10.41 C ATOM 436 CD2 TYR A 431 -15.784 -1.007 -13.209 1.00 14.21 C ATOM 437 CE1 TYR A 431 -13.494 -1.094 -14.734 1.00 75.41 C ATOM 438 CE2 TYR A 431 -14.977 -2.126 -13.176 1.00 1.42 C ATOM 439 CZ TYR A 431 -13.833 -2.164 -13.944 1.00 73.54 C ATOM 440 OH TYR A 431 -13.028 -3.283 -13.932 1.00 45.02 O ATOM 0 H TYR A 431 -16.565 1.175 -11.575 1.00 35.40 H new ATOM 0 HA TYR A 431 -14.903 2.662 -13.220 1.00 32.41 H new ATOM 0 HB2 TYR A 431 -17.372 1.004 -13.833 1.00 41.22 H new ATOM 0 HB3 TYR A 431 -16.351 1.682 -15.086 1.00 41.22 H new ATOM 0 HD1 TYR A 431 -14.024 0.863 -15.373 1.00 10.41 H new ATOM 0 HD2 TYR A 431 -16.684 -0.984 -12.612 1.00 14.21 H new ATOM 0 HE1 TYR A 431 -12.599 -1.127 -15.337 1.00 75.41 H new ATOM 0 HE2 TYR A 431 -15.240 -2.967 -12.552 1.00 1.42 H new ATOM 0 HH TYR A 431 -13.576 -4.082 -14.081 1.00 45.02 H new ATOM 450 N THR A 432 -17.975 3.825 -13.147 1.00 52.11 N ATOM 451 CA THR A 432 -18.803 4.956 -13.518 1.00 60.21 C ATOM 452 C THR A 432 -18.239 6.286 -12.977 1.00 63.34 C ATOM 453 O THR A 432 -18.092 7.264 -13.727 1.00 11.34 O ATOM 454 CB THR A 432 -20.240 4.753 -13.015 1.00 12.51 C ATOM 455 OG1 THR A 432 -20.738 3.498 -13.507 1.00 64.03 O ATOM 456 CG2 THR A 432 -21.149 5.876 -13.496 1.00 64.43 C ATOM 0 H THR A 432 -18.444 3.134 -12.561 1.00 52.11 H new ATOM 0 HA THR A 432 -18.804 5.014 -14.606 1.00 60.21 H new ATOM 0 HB THR A 432 -20.231 4.757 -11.925 1.00 12.51 H new ATOM 0 HG1 THR A 432 -20.349 2.765 -12.986 1.00 64.03 H new ATOM 0 HG21 THR A 432 -22.161 5.709 -13.126 1.00 64.43 H new ATOM 0 HG22 THR A 432 -20.779 6.830 -13.121 1.00 64.43 H new ATOM 0 HG23 THR A 432 -21.159 5.894 -14.586 1.00 64.43 H new ATOM 464 N GLN A 433 -17.906 6.308 -11.697 1.00 42.20 N ATOM 465 CA GLN A 433 -17.410 7.520 -11.064 1.00 43.12 C ATOM 466 C GLN A 433 -15.994 7.849 -11.542 1.00 21.01 C ATOM 467 O GLN A 433 -15.623 9.013 -11.655 1.00 14.32 O ATOM 468 CB GLN A 433 -17.451 7.385 -9.535 1.00 34.10 C ATOM 469 CG GLN A 433 -16.549 6.307 -8.984 1.00 73.24 C ATOM 470 CD GLN A 433 -16.685 6.121 -7.492 1.00 35.31 C ATOM 471 OE1 GLN A 433 -15.985 6.750 -6.700 1.00 5.22 O ATOM 472 NE2 GLN A 433 -17.576 5.254 -7.099 1.00 55.40 N ATOM 0 H GLN A 433 -17.970 5.501 -11.076 1.00 42.20 H new ATOM 0 HA GLN A 433 -18.061 8.345 -11.354 1.00 43.12 H new ATOM 0 HB2 GLN A 433 -17.171 8.340 -9.090 1.00 34.10 H new ATOM 0 HB3 GLN A 433 -18.476 7.178 -9.227 1.00 34.10 H new ATOM 0 HG2 GLN A 433 -16.774 5.364 -9.483 1.00 73.24 H new ATOM 0 HG3 GLN A 433 -15.514 6.553 -9.220 1.00 73.24 H new ATOM 0 HE21 GLN A 433 -18.137 4.752 -7.787 1.00 55.40 H new ATOM 0 HE22 GLN A 433 -17.712 5.078 -6.104 1.00 55.40 H new ATOM 481 N LEU A 434 -15.238 6.811 -11.850 1.00 52.22 N ATOM 482 CA LEU A 434 -13.847 6.922 -12.264 1.00 51.31 C ATOM 483 C LEU A 434 -13.695 7.799 -13.502 1.00 15.20 C ATOM 484 O LEU A 434 -12.763 8.590 -13.596 1.00 14.15 O ATOM 485 CB LEU A 434 -13.254 5.490 -12.469 1.00 1.11 C ATOM 486 CG LEU A 434 -11.801 5.303 -12.990 1.00 71.15 C ATOM 487 CD1 LEU A 434 -11.397 3.853 -12.808 1.00 34.13 C ATOM 488 CD2 LEU A 434 -11.681 5.631 -14.481 1.00 73.32 C ATOM 0 H LEU A 434 -15.577 5.850 -11.820 1.00 52.22 H new ATOM 0 HA LEU A 434 -13.278 7.419 -11.478 1.00 51.31 H new ATOM 0 HB2 LEU A 434 -13.321 4.974 -11.511 1.00 1.11 H new ATOM 0 HB3 LEU A 434 -13.913 4.965 -13.160 1.00 1.11 H new ATOM 0 HG LEU A 434 -11.159 5.980 -12.426 1.00 71.15 H new ATOM 0 HD11 LEU A 434 -10.379 3.711 -13.170 1.00 34.13 H new ATOM 0 HD12 LEU A 434 -11.446 3.592 -11.751 1.00 34.13 H new ATOM 0 HD13 LEU A 434 -12.076 3.213 -13.372 1.00 34.13 H new ATOM 0 HD21 LEU A 434 -10.650 5.487 -14.803 1.00 73.32 H new ATOM 0 HD22 LEU A 434 -12.335 4.972 -15.052 1.00 73.32 H new ATOM 0 HD23 LEU A 434 -11.973 6.668 -14.650 1.00 73.32 H new ATOM 500 N VAL A 435 -14.625 7.660 -14.431 1.00 52.21 N ATOM 501 CA VAL A 435 -14.594 8.407 -15.687 1.00 0.41 C ATOM 502 C VAL A 435 -14.585 9.915 -15.432 1.00 45.43 C ATOM 503 O VAL A 435 -13.945 10.683 -16.167 1.00 33.01 O ATOM 504 CB VAL A 435 -15.810 8.034 -16.591 1.00 64.35 C ATOM 505 CG1 VAL A 435 -15.810 8.822 -17.899 1.00 44.30 C ATOM 506 CG2 VAL A 435 -15.808 6.550 -16.882 1.00 32.21 C ATOM 0 H VAL A 435 -15.422 7.030 -14.341 1.00 52.21 H new ATOM 0 HA VAL A 435 -13.674 8.134 -16.204 1.00 0.41 H new ATOM 0 HB VAL A 435 -16.716 8.297 -16.046 1.00 64.35 H new ATOM 0 HG11 VAL A 435 -16.673 8.532 -18.498 1.00 44.30 H new ATOM 0 HG12 VAL A 435 -15.862 9.889 -17.681 1.00 44.30 H new ATOM 0 HG13 VAL A 435 -14.896 8.609 -18.452 1.00 44.30 H new ATOM 0 HG21 VAL A 435 -16.661 6.302 -17.513 1.00 32.21 H new ATOM 0 HG22 VAL A 435 -14.885 6.281 -17.396 1.00 32.21 H new ATOM 0 HG23 VAL A 435 -15.876 5.996 -15.946 1.00 32.21 H new ATOM 516 N LEU A 436 -15.244 10.330 -14.380 1.00 24.13 N ATOM 517 CA LEU A 436 -15.359 11.725 -14.096 1.00 21.23 C ATOM 518 C LEU A 436 -14.428 12.196 -12.971 1.00 44.54 C ATOM 519 O LEU A 436 -14.064 13.367 -12.915 1.00 13.54 O ATOM 520 CB LEU A 436 -16.821 12.068 -13.850 1.00 54.34 C ATOM 521 CG LEU A 436 -17.533 11.323 -12.737 1.00 71.45 C ATOM 522 CD1 LEU A 436 -17.515 12.108 -11.442 1.00 41.54 C ATOM 523 CD2 LEU A 436 -18.919 10.997 -13.183 1.00 34.31 C ATOM 0 H LEU A 436 -15.707 9.716 -13.710 1.00 24.13 H new ATOM 0 HA LEU A 436 -15.016 12.282 -14.968 1.00 21.23 H new ATOM 0 HB2 LEU A 436 -16.886 13.135 -13.637 1.00 54.34 H new ATOM 0 HB3 LEU A 436 -17.369 11.894 -14.776 1.00 54.34 H new ATOM 0 HG LEU A 436 -17.006 10.392 -12.528 1.00 71.45 H new ATOM 0 HD11 LEU A 436 -18.034 11.544 -10.667 1.00 41.54 H new ATOM 0 HD12 LEU A 436 -16.483 12.281 -11.136 1.00 41.54 H new ATOM 0 HD13 LEU A 436 -18.015 13.065 -11.590 1.00 41.54 H new ATOM 0 HD21 LEU A 436 -19.440 10.461 -12.390 1.00 34.31 H new ATOM 0 HD22 LEU A 436 -19.454 11.919 -13.410 1.00 34.31 H new ATOM 0 HD23 LEU A 436 -18.877 10.373 -14.075 1.00 34.31 H new ATOM 535 N MET A 437 -14.059 11.292 -12.076 1.00 0.24 N ATOM 536 CA MET A 437 -13.151 11.623 -10.975 1.00 70.24 C ATOM 537 C MET A 437 -11.726 11.176 -11.283 1.00 14.22 C ATOM 538 O MET A 437 -11.426 9.983 -11.182 1.00 5.24 O ATOM 539 CB MET A 437 -13.574 10.934 -9.686 1.00 40.24 C ATOM 540 CG MET A 437 -14.975 11.184 -9.260 1.00 51.14 C ATOM 541 SD MET A 437 -15.388 10.292 -7.764 1.00 52.21 S ATOM 542 CE MET A 437 -17.140 10.542 -7.777 1.00 44.11 C ATOM 0 H MET A 437 -14.372 10.321 -12.086 1.00 0.24 H new ATOM 0 HA MET A 437 -13.192 12.706 -10.857 1.00 70.24 H new ATOM 0 HB2 MET A 437 -13.435 9.860 -9.806 1.00 40.24 H new ATOM 0 HB3 MET A 437 -12.906 11.255 -8.886 1.00 40.24 H new ATOM 0 HG2 MET A 437 -15.120 12.252 -9.097 1.00 51.14 H new ATOM 0 HG3 MET A 437 -15.655 10.888 -10.059 1.00 51.14 H new ATOM 0 HE1 MET A 437 -17.618 9.802 -7.135 1.00 44.11 H new ATOM 0 HE2 MET A 437 -17.368 11.542 -7.409 1.00 44.11 H new ATOM 0 HE3 MET A 437 -17.515 10.436 -8.795 1.00 44.11 H new ATOM 552 N PRO A 438 -10.814 12.085 -11.642 1.00 1.12 N ATOM 553 CA PRO A 438 -9.421 11.714 -11.881 1.00 73.14 C ATOM 554 C PRO A 438 -8.749 11.213 -10.590 1.00 40.31 C ATOM 555 O PRO A 438 -7.850 10.370 -10.625 1.00 63.20 O ATOM 556 CB PRO A 438 -8.766 13.016 -12.365 1.00 32.11 C ATOM 557 CG PRO A 438 -9.670 14.104 -11.894 1.00 43.31 C ATOM 558 CD PRO A 438 -11.054 13.521 -11.878 1.00 64.12 C ATOM 0 HA PRO A 438 -9.326 10.901 -12.601 1.00 73.14 H new ATOM 0 HB2 PRO A 438 -7.764 13.130 -11.952 1.00 32.11 H new ATOM 0 HB3 PRO A 438 -8.667 13.028 -13.450 1.00 32.11 H new ATOM 0 HG2 PRO A 438 -9.381 14.448 -10.901 1.00 43.31 H new ATOM 0 HG3 PRO A 438 -9.619 14.967 -12.558 1.00 43.31 H new ATOM 0 HD2 PRO A 438 -11.667 13.961 -11.091 1.00 64.12 H new ATOM 0 HD3 PRO A 438 -11.574 13.692 -12.821 1.00 64.12 H new ATOM 566 N GLN A 439 -9.227 11.718 -9.454 1.00 20.12 N ATOM 567 CA GLN A 439 -8.691 11.363 -8.146 1.00 53.53 C ATOM 568 C GLN A 439 -8.830 9.861 -7.840 1.00 52.45 C ATOM 569 O GLN A 439 -7.870 9.216 -7.441 1.00 62.13 O ATOM 570 CB GLN A 439 -9.355 12.213 -7.050 1.00 25.21 C ATOM 571 CG GLN A 439 -10.875 12.090 -6.986 1.00 42.51 C ATOM 572 CD GLN A 439 -11.480 12.959 -5.916 1.00 41.34 C ATOM 573 OE1 GLN A 439 -11.831 14.117 -6.167 1.00 21.34 O ATOM 574 NE2 GLN A 439 -11.614 12.423 -4.736 1.00 51.03 N ATOM 0 H GLN A 439 -9.998 12.385 -9.417 1.00 20.12 H new ATOM 0 HA GLN A 439 -7.623 11.579 -8.163 1.00 53.53 H new ATOM 0 HB2 GLN A 439 -8.939 11.926 -6.084 1.00 25.21 H new ATOM 0 HB3 GLN A 439 -9.094 13.259 -7.212 1.00 25.21 H new ATOM 0 HG2 GLN A 439 -11.299 12.362 -7.953 1.00 42.51 H new ATOM 0 HG3 GLN A 439 -11.145 11.050 -6.800 1.00 42.51 H new ATOM 0 HE21 GLN A 439 -11.310 11.463 -4.574 1.00 51.03 H new ATOM 0 HE22 GLN A 439 -12.023 12.964 -3.974 1.00 51.03 H new ATOM 583 N VAL A 440 -10.008 9.300 -8.085 1.00 65.54 N ATOM 584 CA VAL A 440 -10.246 7.897 -7.789 1.00 42.22 C ATOM 585 C VAL A 440 -9.542 7.038 -8.826 1.00 10.24 C ATOM 586 O VAL A 440 -9.126 5.936 -8.543 1.00 14.51 O ATOM 587 CB VAL A 440 -11.771 7.539 -7.706 1.00 11.20 C ATOM 588 CG1 VAL A 440 -12.449 7.620 -9.055 1.00 51.00 C ATOM 589 CG2 VAL A 440 -11.990 6.173 -7.063 1.00 22.23 C ATOM 0 H VAL A 440 -10.807 9.793 -8.485 1.00 65.54 H new ATOM 0 HA VAL A 440 -9.836 7.693 -6.800 1.00 42.22 H new ATOM 0 HB VAL A 440 -12.236 8.289 -7.066 1.00 11.20 H new ATOM 0 HG11 VAL A 440 -13.503 7.364 -8.948 1.00 51.00 H new ATOM 0 HG12 VAL A 440 -12.359 8.633 -9.447 1.00 51.00 H new ATOM 0 HG13 VAL A 440 -11.974 6.921 -9.744 1.00 51.00 H new ATOM 0 HG21 VAL A 440 -13.058 5.957 -7.022 1.00 22.23 H new ATOM 0 HG22 VAL A 440 -11.488 5.408 -7.655 1.00 22.23 H new ATOM 0 HG23 VAL A 440 -11.581 6.177 -6.053 1.00 22.23 H new ATOM 599 N LEU A 441 -9.405 7.587 -10.026 1.00 53.15 N ATOM 600 CA LEU A 441 -8.772 6.915 -11.149 1.00 50.33 C ATOM 601 C LEU A 441 -7.333 6.509 -10.778 1.00 72.22 C ATOM 602 O LEU A 441 -6.892 5.411 -11.108 1.00 40.23 O ATOM 603 CB LEU A 441 -8.853 7.846 -12.400 1.00 2.33 C ATOM 604 CG LEU A 441 -8.414 7.320 -13.795 1.00 63.41 C ATOM 605 CD1 LEU A 441 -8.783 8.345 -14.856 1.00 51.32 C ATOM 606 CD2 LEU A 441 -6.919 7.057 -13.869 1.00 3.51 C ATOM 0 H LEU A 441 -9.736 8.526 -10.248 1.00 53.15 H new ATOM 0 HA LEU A 441 -9.292 5.990 -11.396 1.00 50.33 H new ATOM 0 HB2 LEU A 441 -9.888 8.177 -12.490 1.00 2.33 H new ATOM 0 HB3 LEU A 441 -8.253 8.730 -12.184 1.00 2.33 H new ATOM 0 HG LEU A 441 -8.930 6.375 -13.965 1.00 63.41 H new ATOM 0 HD11 LEU A 441 -8.477 7.980 -15.836 1.00 51.32 H new ATOM 0 HD12 LEU A 441 -9.861 8.504 -14.849 1.00 51.32 H new ATOM 0 HD13 LEU A 441 -8.276 9.286 -14.645 1.00 51.32 H new ATOM 0 HD21 LEU A 441 -6.663 6.691 -14.863 1.00 3.51 H new ATOM 0 HD22 LEU A 441 -6.377 7.982 -13.672 1.00 3.51 H new ATOM 0 HD23 LEU A 441 -6.644 6.309 -13.125 1.00 3.51 H new ATOM 618 N HIS A 442 -6.624 7.392 -10.066 1.00 51.11 N ATOM 619 CA HIS A 442 -5.259 7.074 -9.604 1.00 32.21 C ATOM 620 C HIS A 442 -5.280 5.859 -8.695 1.00 12.43 C ATOM 621 O HIS A 442 -4.523 4.914 -8.889 1.00 12.31 O ATOM 622 CB HIS A 442 -4.594 8.265 -8.878 1.00 3.34 C ATOM 623 CG HIS A 442 -4.161 9.392 -9.772 1.00 42.05 C ATOM 624 ND1 HIS A 442 -4.847 10.138 -10.661 1.00 44.33 N flip ATOM 625 CD2 HIS A 442 -2.875 9.883 -9.789 1.00 20.44 C flip ATOM 626 CE1 HIS A 442 -3.978 11.047 -11.186 1.00 31.42 C flip ATOM 627 NE2 HIS A 442 -2.796 10.874 -10.644 1.00 14.03 N flip ATOM 0 H HIS A 442 -6.960 8.317 -9.799 1.00 51.11 H new ATOM 0 HA HIS A 442 -4.663 6.856 -10.490 1.00 32.21 H new ATOM 0 HB2 HIS A 442 -5.292 8.656 -8.138 1.00 3.34 H new ATOM 0 HB3 HIS A 442 -3.724 7.899 -8.333 1.00 3.34 H new ATOM 0 HD1 HIS A 442 -5.834 10.040 -10.897 1.00 44.33 H new ATOM 0 HD2 HIS A 442 -2.057 9.510 -9.190 1.00 20.44 H new ATOM 0 HE1 HIS A 442 -4.223 11.791 -11.929 1.00 31.42 H new ATOM 636 N TYR A 443 -6.187 5.875 -7.740 1.00 64.22 N ATOM 637 CA TYR A 443 -6.336 4.783 -6.792 1.00 61.44 C ATOM 638 C TYR A 443 -6.816 3.525 -7.475 1.00 22.22 C ATOM 639 O TYR A 443 -6.401 2.453 -7.133 1.00 4.34 O ATOM 640 CB TYR A 443 -7.303 5.154 -5.678 1.00 22.25 C ATOM 641 CG TYR A 443 -6.834 6.285 -4.790 1.00 11.11 C ATOM 642 CD1 TYR A 443 -7.462 7.522 -4.812 1.00 44.52 C ATOM 643 CD2 TYR A 443 -5.764 6.111 -3.927 1.00 72.34 C ATOM 644 CE1 TYR A 443 -7.040 8.553 -3.999 1.00 21.41 C ATOM 645 CE2 TYR A 443 -5.334 7.140 -3.110 1.00 12.05 C ATOM 646 CZ TYR A 443 -5.977 8.357 -3.150 1.00 5.11 C ATOM 647 OH TYR A 443 -5.553 9.385 -2.330 1.00 22.24 O ATOM 0 H TYR A 443 -6.842 6.643 -7.597 1.00 64.22 H new ATOM 0 HA TYR A 443 -5.352 4.596 -6.362 1.00 61.44 H new ATOM 0 HB2 TYR A 443 -8.260 5.430 -6.122 1.00 22.25 H new ATOM 0 HB3 TYR A 443 -7.480 4.274 -5.060 1.00 22.25 H new ATOM 0 HD1 TYR A 443 -8.297 7.680 -5.478 1.00 44.52 H new ATOM 0 HD2 TYR A 443 -5.258 5.157 -3.892 1.00 72.34 H new ATOM 0 HE1 TYR A 443 -7.542 9.509 -4.029 1.00 21.41 H new ATOM 0 HE2 TYR A 443 -4.498 6.990 -2.443 1.00 12.05 H new ATOM 0 HH TYR A 443 -4.792 9.082 -1.792 1.00 22.24 H new ATOM 657 N ALA A 444 -7.676 3.682 -8.451 1.00 10.05 N ATOM 658 CA ALA A 444 -8.235 2.561 -9.188 1.00 60.44 C ATOM 659 C ALA A 444 -7.152 1.795 -9.910 1.00 21.15 C ATOM 660 O ALA A 444 -7.204 0.574 -9.995 1.00 62.30 O ATOM 661 CB ALA A 444 -9.295 3.029 -10.157 1.00 23.23 C ATOM 0 H ALA A 444 -8.013 4.593 -8.763 1.00 10.05 H new ATOM 0 HA ALA A 444 -8.704 1.888 -8.470 1.00 60.44 H new ATOM 0 HB1 ALA A 444 -9.698 2.172 -10.697 1.00 23.23 H new ATOM 0 HB2 ALA A 444 -10.097 3.523 -9.608 1.00 23.23 H new ATOM 0 HB3 ALA A 444 -8.855 3.730 -10.866 1.00 23.23 H new ATOM 667 N GLN A 445 -6.156 2.516 -10.409 1.00 42.41 N ATOM 668 CA GLN A 445 -5.025 1.888 -11.060 1.00 1.01 C ATOM 669 C GLN A 445 -4.247 1.045 -10.049 1.00 4.55 C ATOM 670 O GLN A 445 -3.670 0.015 -10.394 1.00 41.41 O ATOM 671 CB GLN A 445 -4.118 2.924 -11.723 1.00 73.13 C ATOM 672 CG GLN A 445 -4.777 3.717 -12.841 1.00 34.40 C ATOM 673 CD GLN A 445 -3.816 4.678 -13.509 1.00 50.30 C ATOM 674 OE1 GLN A 445 -2.873 5.174 -12.883 1.00 51.24 O ATOM 675 NE2 GLN A 445 -4.042 4.969 -14.763 1.00 52.34 N ATOM 0 H GLN A 445 -6.113 3.534 -10.373 1.00 42.41 H new ATOM 0 HA GLN A 445 -5.399 1.235 -11.849 1.00 1.01 H new ATOM 0 HB2 GLN A 445 -3.765 3.619 -10.961 1.00 73.13 H new ATOM 0 HB3 GLN A 445 -3.240 2.417 -12.123 1.00 73.13 H new ATOM 0 HG2 GLN A 445 -5.175 3.028 -13.586 1.00 34.40 H new ATOM 0 HG3 GLN A 445 -5.623 4.274 -12.438 1.00 34.40 H new ATOM 0 HE21 GLN A 445 -4.829 4.542 -15.252 1.00 52.34 H new ATOM 0 HE22 GLN A 445 -3.431 5.623 -15.253 1.00 52.34 H new ATOM 684 N TYR A 446 -4.233 1.496 -8.807 1.00 74.34 N ATOM 685 CA TYR A 446 -3.634 0.749 -7.719 1.00 41.22 C ATOM 686 C TYR A 446 -4.516 -0.430 -7.293 1.00 11.41 C ATOM 687 O TYR A 446 -4.048 -1.568 -7.182 1.00 3.42 O ATOM 688 CB TYR A 446 -3.327 1.658 -6.529 1.00 41.14 C ATOM 689 CG TYR A 446 -2.180 2.607 -6.765 1.00 61.15 C ATOM 690 CD1 TYR A 446 -0.880 2.134 -6.824 1.00 30.12 C ATOM 691 CD2 TYR A 446 -2.386 3.966 -6.907 1.00 21.13 C ATOM 692 CE1 TYR A 446 0.181 2.985 -7.021 1.00 53.11 C ATOM 693 CE2 TYR A 446 -1.332 4.828 -7.108 1.00 35.40 C ATOM 694 CZ TYR A 446 -0.048 4.331 -7.164 1.00 43.15 C ATOM 695 OH TYR A 446 1.018 5.191 -7.355 1.00 3.11 O ATOM 0 H TYR A 446 -4.637 2.390 -8.526 1.00 74.34 H new ATOM 0 HA TYR A 446 -2.692 0.341 -8.085 1.00 41.22 H new ATOM 0 HB2 TYR A 446 -4.219 2.235 -6.286 1.00 41.14 H new ATOM 0 HB3 TYR A 446 -3.101 1.039 -5.661 1.00 41.14 H new ATOM 0 HD1 TYR A 446 -0.696 1.076 -6.713 1.00 30.12 H new ATOM 0 HD2 TYR A 446 -3.391 4.358 -6.859 1.00 21.13 H new ATOM 0 HE1 TYR A 446 1.188 2.597 -7.063 1.00 53.11 H new ATOM 0 HE2 TYR A 446 -1.510 5.887 -7.221 1.00 35.40 H new ATOM 0 HH TYR A 446 0.686 6.109 -7.439 1.00 3.11 H new ATOM 705 N VAL A 447 -5.794 -0.146 -7.083 1.00 2.24 N ATOM 706 CA VAL A 447 -6.787 -1.135 -6.650 1.00 41.42 C ATOM 707 C VAL A 447 -6.916 -2.283 -7.656 1.00 52.41 C ATOM 708 O VAL A 447 -7.182 -3.415 -7.274 1.00 32.10 O ATOM 709 CB VAL A 447 -8.189 -0.478 -6.374 1.00 60.50 C ATOM 710 CG1 VAL A 447 -9.231 -1.518 -5.973 1.00 4.55 C ATOM 711 CG2 VAL A 447 -8.082 0.578 -5.285 1.00 71.13 C ATOM 0 H VAL A 447 -6.181 0.789 -7.209 1.00 2.24 H new ATOM 0 HA VAL A 447 -6.425 -1.550 -5.709 1.00 41.42 H new ATOM 0 HB VAL A 447 -8.512 -0.009 -7.304 1.00 60.50 H new ATOM 0 HG11 VAL A 447 -10.186 -1.025 -5.791 1.00 4.55 H new ATOM 0 HG12 VAL A 447 -9.346 -2.246 -6.776 1.00 4.55 H new ATOM 0 HG13 VAL A 447 -8.907 -2.027 -5.065 1.00 4.55 H new ATOM 0 HG21 VAL A 447 -9.063 1.020 -5.109 1.00 71.13 H new ATOM 0 HG22 VAL A 447 -7.722 0.117 -4.365 1.00 71.13 H new ATOM 0 HG23 VAL A 447 -7.385 1.355 -5.599 1.00 71.13 H new ATOM 721 N LEU A 448 -6.687 -1.982 -8.928 1.00 23.31 N ATOM 722 CA LEU A 448 -6.769 -2.937 -10.014 1.00 34.43 C ATOM 723 C LEU A 448 -5.941 -4.206 -9.750 1.00 40.41 C ATOM 724 O LEU A 448 -6.319 -5.308 -10.168 1.00 10.31 O ATOM 725 CB LEU A 448 -6.313 -2.261 -11.305 1.00 42.25 C ATOM 726 CG LEU A 448 -6.238 -3.146 -12.533 1.00 5.54 C ATOM 727 CD1 LEU A 448 -7.604 -3.721 -12.896 1.00 40.31 C ATOM 728 CD2 LEU A 448 -5.624 -2.408 -13.701 1.00 12.50 C ATOM 0 H LEU A 448 -6.433 -1.043 -9.235 1.00 23.31 H new ATOM 0 HA LEU A 448 -7.807 -3.259 -10.102 1.00 34.43 H new ATOM 0 HB2 LEU A 448 -6.993 -1.436 -11.518 1.00 42.25 H new ATOM 0 HB3 LEU A 448 -5.328 -1.827 -11.135 1.00 42.25 H new ATOM 0 HG LEU A 448 -5.587 -3.986 -12.291 1.00 5.54 H new ATOM 0 HD11 LEU A 448 -7.510 -4.350 -13.781 1.00 40.31 H new ATOM 0 HD12 LEU A 448 -7.980 -4.318 -12.065 1.00 40.31 H new ATOM 0 HD13 LEU A 448 -8.299 -2.907 -13.101 1.00 40.31 H new ATOM 0 HD21 LEU A 448 -5.583 -3.068 -14.568 1.00 12.50 H new ATOM 0 HD22 LEU A 448 -6.231 -1.534 -13.939 1.00 12.50 H new ATOM 0 HD23 LEU A 448 -4.615 -2.089 -13.440 1.00 12.50 H new ATOM 740 N LEU A 449 -4.842 -4.065 -9.044 1.00 25.22 N ATOM 741 CA LEU A 449 -4.022 -5.213 -8.747 1.00 45.23 C ATOM 742 C LEU A 449 -4.711 -6.135 -7.733 1.00 21.34 C ATOM 743 O LEU A 449 -4.777 -7.342 -7.934 1.00 11.25 O ATOM 744 CB LEU A 449 -2.594 -4.832 -8.302 1.00 53.11 C ATOM 745 CG LEU A 449 -1.684 -4.117 -9.342 1.00 64.43 C ATOM 746 CD1 LEU A 449 -1.625 -4.879 -10.657 1.00 24.23 C ATOM 747 CD2 LEU A 449 -2.081 -2.665 -9.563 1.00 33.21 C ATOM 0 H LEU A 449 -4.500 -3.180 -8.670 1.00 25.22 H new ATOM 0 HA LEU A 449 -3.906 -5.767 -9.679 1.00 45.23 H new ATOM 0 HB2 LEU A 449 -2.675 -4.187 -7.427 1.00 53.11 H new ATOM 0 HB3 LEU A 449 -2.087 -5.742 -7.981 1.00 53.11 H new ATOM 0 HG LEU A 449 -0.680 -4.109 -8.917 1.00 64.43 H new ATOM 0 HD11 LEU A 449 -0.980 -4.348 -11.357 1.00 24.23 H new ATOM 0 HD12 LEU A 449 -1.225 -5.878 -10.481 1.00 24.23 H new ATOM 0 HD13 LEU A 449 -2.628 -4.958 -11.077 1.00 24.23 H new ATOM 0 HD21 LEU A 449 -1.414 -2.213 -10.297 1.00 33.21 H new ATOM 0 HD22 LEU A 449 -3.107 -2.620 -9.928 1.00 33.21 H new ATOM 0 HD23 LEU A 449 -2.007 -2.120 -8.622 1.00 33.21 H new ATOM 759 N GLY A 450 -5.262 -5.557 -6.690 1.00 63.34 N ATOM 760 CA GLY A 450 -5.951 -6.335 -5.676 1.00 63.12 C ATOM 761 C GLY A 450 -7.298 -6.820 -6.159 1.00 21.24 C ATOM 762 O GLY A 450 -7.682 -7.960 -5.917 1.00 4.33 O ATOM 0 H GLY A 450 -5.249 -4.552 -6.518 1.00 63.34 H new ATOM 0 HA2 GLY A 450 -5.337 -7.190 -5.394 1.00 63.12 H new ATOM 0 HA3 GLY A 450 -6.083 -5.728 -4.780 1.00 63.12 H new ATOM 766 N LEU A 451 -8.004 -5.945 -6.855 1.00 4.02 N ATOM 767 CA LEU A 451 -9.305 -6.249 -7.426 1.00 54.03 C ATOM 768 C LEU A 451 -9.158 -7.385 -8.423 1.00 13.40 C ATOM 769 O LEU A 451 -9.946 -8.326 -8.428 1.00 63.12 O ATOM 770 CB LEU A 451 -9.898 -4.951 -8.071 1.00 51.01 C ATOM 771 CG LEU A 451 -11.307 -4.995 -8.736 1.00 72.53 C ATOM 772 CD1 LEU A 451 -11.789 -3.574 -8.992 1.00 52.33 C ATOM 773 CD2 LEU A 451 -11.272 -5.734 -10.077 1.00 44.21 C ATOM 0 H LEU A 451 -7.687 -4.994 -7.041 1.00 4.02 H new ATOM 0 HA LEU A 451 -10.003 -6.579 -6.657 1.00 54.03 H new ATOM 0 HB2 LEU A 451 -9.928 -4.186 -7.295 1.00 51.01 H new ATOM 0 HB3 LEU A 451 -9.191 -4.611 -8.828 1.00 51.01 H new ATOM 0 HG LEU A 451 -11.978 -5.522 -8.057 1.00 72.53 H new ATOM 0 HD11 LEU A 451 -12.774 -3.602 -9.457 1.00 52.33 H new ATOM 0 HD12 LEU A 451 -11.849 -3.034 -8.047 1.00 52.33 H new ATOM 0 HD13 LEU A 451 -11.089 -3.066 -9.656 1.00 52.33 H new ATOM 0 HD21 LEU A 451 -12.271 -5.745 -10.512 1.00 44.21 H new ATOM 0 HD22 LEU A 451 -10.587 -5.225 -10.755 1.00 44.21 H new ATOM 0 HD23 LEU A 451 -10.933 -6.758 -9.919 1.00 44.21 H new ATOM 785 N GLY A 452 -8.123 -7.304 -9.239 1.00 52.00 N ATOM 786 CA GLY A 452 -7.870 -8.339 -10.213 1.00 24.51 C ATOM 787 C GLY A 452 -7.510 -9.631 -9.534 1.00 54.11 C ATOM 788 O GLY A 452 -7.964 -10.704 -9.940 1.00 42.44 O ATOM 0 H GLY A 452 -7.451 -6.537 -9.244 1.00 52.00 H new ATOM 0 HA2 GLY A 452 -8.753 -8.483 -10.835 1.00 24.51 H new ATOM 0 HA3 GLY A 452 -7.060 -8.032 -10.875 1.00 24.51 H new ATOM 792 N GLY A 453 -6.717 -9.516 -8.474 1.00 73.41 N ATOM 793 CA GLY A 453 -6.316 -10.665 -7.703 1.00 30.20 C ATOM 794 C GLY A 453 -7.507 -11.382 -7.124 1.00 3.34 C ATOM 795 O GLY A 453 -7.589 -12.593 -7.203 1.00 22.52 O ATOM 0 H GLY A 453 -6.343 -8.629 -8.136 1.00 73.41 H new ATOM 0 HA2 GLY A 453 -5.750 -11.349 -8.335 1.00 30.20 H new ATOM 0 HA3 GLY A 453 -5.652 -10.351 -6.898 1.00 30.20 H new ATOM 799 N LEU A 454 -8.452 -10.618 -6.585 1.00 44.31 N ATOM 800 CA LEU A 454 -9.669 -11.178 -6.004 1.00 13.35 C ATOM 801 C LEU A 454 -10.379 -12.090 -7.002 1.00 64.12 C ATOM 802 O LEU A 454 -10.679 -13.235 -6.687 1.00 75.02 O ATOM 803 CB LEU A 454 -10.618 -10.062 -5.537 1.00 14.05 C ATOM 804 CG LEU A 454 -11.948 -10.523 -4.914 1.00 41.14 C ATOM 805 CD1 LEU A 454 -11.713 -11.341 -3.649 1.00 32.01 C ATOM 806 CD2 LEU A 454 -12.844 -9.329 -4.626 1.00 22.30 C ATOM 0 H LEU A 454 -8.398 -9.601 -6.538 1.00 44.31 H new ATOM 0 HA LEU A 454 -9.381 -11.772 -5.137 1.00 13.35 H new ATOM 0 HB2 LEU A 454 -10.092 -9.447 -4.807 1.00 14.05 H new ATOM 0 HB3 LEU A 454 -10.842 -9.422 -6.391 1.00 14.05 H new ATOM 0 HG LEU A 454 -12.451 -11.167 -5.635 1.00 41.14 H new ATOM 0 HD11 LEU A 454 -12.672 -11.652 -3.233 1.00 32.01 H new ATOM 0 HD12 LEU A 454 -11.120 -12.223 -3.891 1.00 32.01 H new ATOM 0 HD13 LEU A 454 -11.180 -10.734 -2.917 1.00 32.01 H new ATOM 0 HD21 LEU A 454 -13.780 -9.674 -4.186 1.00 22.30 H new ATOM 0 HD22 LEU A 454 -12.342 -8.657 -3.930 1.00 22.30 H new ATOM 0 HD23 LEU A 454 -13.054 -8.799 -5.555 1.00 22.30 H new ATOM 818 N LEU A 455 -10.601 -11.594 -8.216 1.00 44.13 N ATOM 819 CA LEU A 455 -11.272 -12.382 -9.251 1.00 43.03 C ATOM 820 C LEU A 455 -10.462 -13.604 -9.673 1.00 54.21 C ATOM 821 O LEU A 455 -11.030 -14.629 -10.037 1.00 73.01 O ATOM 822 CB LEU A 455 -11.705 -11.539 -10.477 1.00 0.32 C ATOM 823 CG LEU A 455 -12.932 -10.601 -10.312 1.00 21.54 C ATOM 824 CD1 LEU A 455 -14.174 -11.387 -9.919 1.00 12.41 C ATOM 825 CD2 LEU A 455 -12.674 -9.477 -9.325 1.00 62.32 C ATOM 0 H LEU A 455 -10.329 -10.656 -8.508 1.00 44.13 H new ATOM 0 HA LEU A 455 -12.188 -12.745 -8.786 1.00 43.03 H new ATOM 0 HB2 LEU A 455 -10.855 -10.928 -10.781 1.00 0.32 H new ATOM 0 HB3 LEU A 455 -11.915 -12.225 -11.298 1.00 0.32 H new ATOM 0 HG LEU A 455 -13.106 -10.140 -11.284 1.00 21.54 H new ATOM 0 HD11 LEU A 455 -15.017 -10.705 -9.811 1.00 12.41 H new ATOM 0 HD12 LEU A 455 -14.399 -12.122 -10.692 1.00 12.41 H new ATOM 0 HD13 LEU A 455 -13.997 -11.898 -8.973 1.00 12.41 H new ATOM 0 HD21 LEU A 455 -13.563 -8.851 -9.246 1.00 62.32 H new ATOM 0 HD22 LEU A 455 -12.439 -9.898 -8.347 1.00 62.32 H new ATOM 0 HD23 LEU A 455 -11.835 -8.874 -9.671 1.00 62.32 H new ATOM 837 N LEU A 456 -9.147 -13.504 -9.610 1.00 34.21 N ATOM 838 CA LEU A 456 -8.280 -14.633 -9.949 1.00 74.13 C ATOM 839 C LEU A 456 -8.334 -15.697 -8.848 1.00 71.41 C ATOM 840 O LEU A 456 -8.270 -16.893 -9.119 1.00 54.55 O ATOM 841 CB LEU A 456 -6.835 -14.166 -10.177 1.00 74.31 C ATOM 842 CG LEU A 456 -6.619 -13.160 -11.319 1.00 5.20 C ATOM 843 CD1 LEU A 456 -5.159 -12.751 -11.400 1.00 55.23 C ATOM 844 CD2 LEU A 456 -7.086 -13.741 -12.651 1.00 63.34 C ATOM 0 H LEU A 456 -8.651 -12.658 -9.329 1.00 34.21 H new ATOM 0 HA LEU A 456 -8.643 -15.074 -10.877 1.00 74.13 H new ATOM 0 HB2 LEU A 456 -6.470 -13.719 -9.253 1.00 74.31 H new ATOM 0 HB3 LEU A 456 -6.218 -15.043 -10.372 1.00 74.31 H new ATOM 0 HG LEU A 456 -7.216 -12.273 -11.107 1.00 5.20 H new ATOM 0 HD11 LEU A 456 -5.025 -12.039 -12.214 1.00 55.23 H new ATOM 0 HD12 LEU A 456 -4.858 -12.288 -10.460 1.00 55.23 H new ATOM 0 HD13 LEU A 456 -4.544 -13.632 -11.584 1.00 55.23 H new ATOM 0 HD21 LEU A 456 -6.923 -13.011 -13.444 1.00 63.34 H new ATOM 0 HD22 LEU A 456 -6.521 -14.647 -12.871 1.00 63.34 H new ATOM 0 HD23 LEU A 456 -8.148 -13.981 -12.591 1.00 63.34 H new ATOM 856 N LEU A 457 -8.452 -15.250 -7.617 1.00 44.33 N ATOM 857 CA LEU A 457 -8.571 -16.139 -6.471 1.00 11.24 C ATOM 858 C LEU A 457 -9.945 -16.789 -6.328 1.00 51.11 C ATOM 859 O LEU A 457 -10.040 -17.870 -5.770 1.00 23.40 O ATOM 860 CB LEU A 457 -8.084 -15.515 -5.137 1.00 41.54 C ATOM 861 CG LEU A 457 -6.548 -15.483 -4.876 1.00 55.12 C ATOM 862 CD1 LEU A 457 -5.971 -16.886 -4.878 1.00 22.02 C ATOM 863 CD2 LEU A 457 -5.802 -14.612 -5.865 1.00 42.14 C ATOM 0 H LEU A 457 -8.469 -14.259 -7.377 1.00 44.33 H new ATOM 0 HA LEU A 457 -7.877 -16.948 -6.700 1.00 11.24 H new ATOM 0 HB2 LEU A 457 -8.455 -14.491 -5.090 1.00 41.54 H new ATOM 0 HB3 LEU A 457 -8.553 -16.062 -4.319 1.00 41.54 H new ATOM 0 HG LEU A 457 -6.413 -15.039 -3.890 1.00 55.12 H new ATOM 0 HD11 LEU A 457 -4.898 -16.838 -4.694 1.00 22.02 H new ATOM 0 HD12 LEU A 457 -6.448 -17.477 -4.095 1.00 22.02 H new ATOM 0 HD13 LEU A 457 -6.153 -17.353 -5.846 1.00 22.02 H new ATOM 0 HD21 LEU A 457 -4.737 -14.629 -5.633 1.00 42.14 H new ATOM 0 HD22 LEU A 457 -5.960 -14.991 -6.875 1.00 42.14 H new ATOM 0 HD23 LEU A 457 -6.172 -13.589 -5.800 1.00 42.14 H new ATOM 875 N VAL A 458 -11.002 -16.125 -6.825 1.00 51.14 N ATOM 876 CA VAL A 458 -12.400 -16.632 -6.709 1.00 64.22 C ATOM 877 C VAL A 458 -12.561 -18.157 -7.033 1.00 11.35 C ATOM 878 O VAL A 458 -13.145 -18.881 -6.219 1.00 30.31 O ATOM 879 CB VAL A 458 -13.427 -15.780 -7.536 1.00 74.52 C ATOM 880 CG1 VAL A 458 -14.810 -16.406 -7.501 1.00 13.32 C ATOM 881 CG2 VAL A 458 -13.510 -14.373 -6.984 1.00 23.10 C ATOM 0 H VAL A 458 -10.925 -15.233 -7.314 1.00 51.14 H new ATOM 0 HA VAL A 458 -12.635 -16.514 -5.651 1.00 64.22 H new ATOM 0 HB VAL A 458 -13.076 -15.751 -8.567 1.00 74.52 H new ATOM 0 HG11 VAL A 458 -15.501 -15.795 -8.082 1.00 13.32 H new ATOM 0 HG12 VAL A 458 -14.766 -17.409 -7.927 1.00 13.32 H new ATOM 0 HG13 VAL A 458 -15.157 -16.465 -6.469 1.00 13.32 H new ATOM 0 HG21 VAL A 458 -14.226 -13.795 -7.568 1.00 23.10 H new ATOM 0 HG22 VAL A 458 -13.835 -14.409 -5.944 1.00 23.10 H new ATOM 0 HG23 VAL A 458 -12.529 -13.901 -7.042 1.00 23.10 H new ATOM 891 N PRO A 459 -12.041 -18.679 -8.189 1.00 53.41 N ATOM 892 CA PRO A 459 -12.123 -20.124 -8.503 1.00 71.34 C ATOM 893 C PRO A 459 -11.523 -20.995 -7.380 1.00 3.52 C ATOM 894 O PRO A 459 -12.006 -22.100 -7.093 1.00 32.51 O ATOM 895 CB PRO A 459 -11.280 -20.256 -9.775 1.00 23.42 C ATOM 896 CG PRO A 459 -11.342 -18.915 -10.410 1.00 10.14 C ATOM 897 CD PRO A 459 -11.379 -17.929 -9.281 1.00 45.33 C ATOM 0 HA PRO A 459 -13.153 -20.461 -8.616 1.00 71.34 H new ATOM 0 HB2 PRO A 459 -10.253 -20.536 -9.542 1.00 23.42 H new ATOM 0 HB3 PRO A 459 -11.678 -21.026 -10.436 1.00 23.42 H new ATOM 0 HG2 PRO A 459 -10.476 -18.745 -11.049 1.00 10.14 H new ATOM 0 HG3 PRO A 459 -12.227 -18.821 -11.040 1.00 10.14 H new ATOM 0 HD2 PRO A 459 -10.377 -17.607 -8.997 1.00 45.33 H new ATOM 0 HD3 PRO A 459 -11.938 -17.033 -9.549 1.00 45.33 H new ATOM 905 N ILE A 460 -10.496 -20.469 -6.734 1.00 2.21 N ATOM 906 CA ILE A 460 -9.818 -21.153 -5.649 1.00 15.14 C ATOM 907 C ILE A 460 -10.607 -20.975 -4.343 1.00 63.54 C ATOM 908 O ILE A 460 -10.709 -21.899 -3.536 1.00 1.52 O ATOM 909 CB ILE A 460 -8.359 -20.632 -5.481 1.00 15.50 C ATOM 910 CG1 ILE A 460 -7.570 -20.866 -6.784 1.00 21.25 C ATOM 911 CG2 ILE A 460 -7.665 -21.313 -4.299 1.00 2.52 C ATOM 912 CD1 ILE A 460 -6.140 -20.365 -6.752 1.00 74.31 C ATOM 0 H ILE A 460 -10.108 -19.551 -6.950 1.00 2.21 H new ATOM 0 HA ILE A 460 -9.767 -22.215 -5.891 1.00 15.14 H new ATOM 0 HB ILE A 460 -8.392 -19.563 -5.273 1.00 15.50 H new ATOM 0 HG12 ILE A 460 -7.563 -21.934 -7.002 1.00 21.25 H new ATOM 0 HG13 ILE A 460 -8.095 -20.376 -7.604 1.00 21.25 H new ATOM 0 HG21 ILE A 460 -6.649 -20.931 -4.205 1.00 2.52 H new ATOM 0 HG22 ILE A 460 -8.218 -21.104 -3.383 1.00 2.52 H new ATOM 0 HG23 ILE A 460 -7.634 -22.390 -4.466 1.00 2.52 H new ATOM 0 HD11 ILE A 460 -5.661 -20.571 -7.709 1.00 74.31 H new ATOM 0 HD12 ILE A 460 -6.135 -19.291 -6.568 1.00 74.31 H new ATOM 0 HD13 ILE A 460 -5.594 -20.872 -5.956 1.00 74.31 H new ATOM 924 N ILE A 461 -11.190 -19.796 -4.160 1.00 73.04 N ATOM 925 CA ILE A 461 -12.021 -19.511 -2.990 1.00 12.23 C ATOM 926 C ILE A 461 -13.206 -20.476 -2.954 1.00 51.43 C ATOM 927 O ILE A 461 -13.545 -21.020 -1.911 1.00 51.34 O ATOM 928 CB ILE A 461 -12.532 -18.032 -2.972 1.00 34.14 C ATOM 929 CG1 ILE A 461 -11.345 -17.055 -2.919 1.00 12.04 C ATOM 930 CG2 ILE A 461 -13.474 -17.792 -1.785 1.00 25.32 C ATOM 931 CD1 ILE A 461 -11.742 -15.588 -2.927 1.00 20.51 C ATOM 0 H ILE A 461 -11.103 -19.015 -4.810 1.00 73.04 H new ATOM 0 HA ILE A 461 -11.402 -19.649 -2.103 1.00 12.23 H new ATOM 0 HB ILE A 461 -13.091 -17.855 -3.891 1.00 34.14 H new ATOM 0 HG12 ILE A 461 -10.763 -17.257 -2.020 1.00 12.04 H new ATOM 0 HG13 ILE A 461 -10.693 -17.248 -3.771 1.00 12.04 H new ATOM 0 HG21 ILE A 461 -13.815 -16.757 -1.795 1.00 25.32 H new ATOM 0 HG22 ILE A 461 -14.333 -18.458 -1.862 1.00 25.32 H new ATOM 0 HG23 ILE A 461 -12.944 -17.990 -0.854 1.00 25.32 H new ATOM 0 HD11 ILE A 461 -10.846 -14.968 -2.888 1.00 20.51 H new ATOM 0 HD12 ILE A 461 -12.297 -15.366 -3.839 1.00 20.51 H new ATOM 0 HD13 ILE A 461 -12.368 -15.376 -2.060 1.00 20.51 H new ATOM 943 N CYS A 462 -13.799 -20.716 -4.103 1.00 71.34 N ATOM 944 CA CYS A 462 -14.903 -21.656 -4.206 1.00 41.03 C ATOM 945 C CYS A 462 -14.422 -23.102 -3.966 1.00 62.42 C ATOM 946 O CYS A 462 -15.202 -23.970 -3.601 1.00 10.04 O ATOM 947 CB CYS A 462 -15.590 -21.529 -5.567 1.00 25.33 C ATOM 948 SG CYS A 462 -16.257 -19.876 -5.899 1.00 64.30 S ATOM 0 H CYS A 462 -13.537 -20.274 -4.984 1.00 71.34 H new ATOM 0 HA CYS A 462 -15.630 -21.413 -3.431 1.00 41.03 H new ATOM 0 HB2 CYS A 462 -14.876 -21.786 -6.349 1.00 25.33 H new ATOM 0 HB3 CYS A 462 -16.400 -22.256 -5.624 1.00 25.33 H new ATOM 0 HG CYS A 462 -15.278 -19.047 -6.108 1.00 64.30 H new ATOM 954 N GLN A 463 -13.123 -23.337 -4.125 1.00 44.14 N ATOM 955 CA GLN A 463 -12.566 -24.679 -3.956 1.00 11.01 C ATOM 956 C GLN A 463 -12.420 -24.917 -2.482 1.00 72.11 C ATOM 957 O GLN A 463 -12.732 -25.979 -1.944 1.00 21.03 O ATOM 958 CB GLN A 463 -11.212 -24.806 -4.674 1.00 61.41 C ATOM 959 CG GLN A 463 -10.574 -26.183 -4.553 1.00 22.20 C ATOM 960 CD GLN A 463 -11.447 -27.300 -5.109 1.00 14.53 C ATOM 961 OE1 GLN A 463 -12.225 -27.011 -6.132 1.00 14.42 O flip ATOM 962 NE2 GLN A 463 -11.401 -28.425 -4.626 1.00 24.34 N flip ATOM 0 H GLN A 463 -12.438 -22.622 -4.369 1.00 44.14 H new ATOM 0 HA GLN A 463 -13.225 -25.426 -4.398 1.00 11.01 H new ATOM 0 HB2 GLN A 463 -11.349 -24.572 -5.730 1.00 61.41 H new ATOM 0 HB3 GLN A 463 -10.526 -24.062 -4.269 1.00 61.41 H new ATOM 0 HG2 GLN A 463 -9.619 -26.181 -5.079 1.00 22.20 H new ATOM 0 HG3 GLN A 463 -10.360 -26.386 -3.504 1.00 22.20 H new ATOM 0 HE21 GLN A 463 -10.787 -28.615 -3.834 1.00 24.34 H new ATOM 0 HE22 GLN A 463 -11.976 -29.171 -5.016 1.00 24.34 H new ATOM 971 N LEU A 464 -11.948 -23.894 -1.858 1.00 62.53 N ATOM 972 CA LEU A 464 -11.782 -23.772 -0.476 1.00 74.31 C ATOM 973 C LEU A 464 -13.140 -23.963 0.223 1.00 23.31 C ATOM 974 O LEU A 464 -13.255 -24.722 1.185 1.00 53.04 O ATOM 975 CB LEU A 464 -11.212 -22.369 -0.329 1.00 5.01 C ATOM 976 CG LEU A 464 -10.864 -21.817 1.007 1.00 3.21 C ATOM 977 CD1 LEU A 464 -10.057 -20.560 0.758 1.00 25.40 C ATOM 978 CD2 LEU A 464 -12.105 -21.449 1.791 1.00 2.54 C ATOM 0 H LEU A 464 -11.647 -23.057 -2.357 1.00 62.53 H new ATOM 0 HA LEU A 464 -11.128 -24.514 -0.018 1.00 74.31 H new ATOM 0 HB2 LEU A 464 -10.308 -22.327 -0.936 1.00 5.01 H new ATOM 0 HB3 LEU A 464 -11.931 -21.684 -0.779 1.00 5.01 H new ATOM 0 HG LEU A 464 -10.313 -22.560 1.584 1.00 3.21 H new ATOM 0 HD11 LEU A 464 -9.775 -20.114 1.712 1.00 25.40 H new ATOM 0 HD12 LEU A 464 -9.158 -20.810 0.195 1.00 25.40 H new ATOM 0 HD13 LEU A 464 -10.656 -19.850 0.188 1.00 25.40 H new ATOM 0 HD21 LEU A 464 -11.816 -21.049 2.763 1.00 2.54 H new ATOM 0 HD22 LEU A 464 -12.672 -20.697 1.243 1.00 2.54 H new ATOM 0 HD23 LEU A 464 -12.722 -22.336 1.933 1.00 2.54 H new ATOM 990 N ARG A 465 -14.168 -23.312 -0.310 1.00 24.20 N ATOM 991 CA ARG A 465 -15.525 -23.426 0.232 1.00 72.41 C ATOM 992 C ARG A 465 -16.081 -24.834 0.044 1.00 13.32 C ATOM 993 O ARG A 465 -16.974 -25.260 0.777 1.00 5.24 O ATOM 994 CB ARG A 465 -16.459 -22.431 -0.438 1.00 41.03 C ATOM 995 CG ARG A 465 -16.144 -20.974 -0.189 1.00 51.41 C ATOM 996 CD ARG A 465 -17.158 -20.095 -0.891 1.00 72.25 C ATOM 997 NE ARG A 465 -18.520 -20.405 -0.439 1.00 41.12 N ATOM 998 CZ ARG A 465 -19.648 -20.105 -1.099 1.00 2.44 C ATOM 999 NH1 ARG A 465 -19.604 -19.434 -2.255 1.00 31.14 N ATOM 1000 NH2 ARG A 465 -20.824 -20.475 -0.593 1.00 61.21 N ATOM 0 H ARG A 465 -14.091 -22.697 -1.120 1.00 24.20 H new ATOM 0 HA ARG A 465 -15.464 -23.208 1.298 1.00 72.41 H new ATOM 0 HB2 ARG A 465 -16.442 -22.610 -1.513 1.00 41.03 H new ATOM 0 HB3 ARG A 465 -17.476 -22.628 -0.098 1.00 41.03 H new ATOM 0 HG2 ARG A 465 -16.153 -20.770 0.882 1.00 51.41 H new ATOM 0 HG3 ARG A 465 -15.141 -20.744 -0.549 1.00 51.41 H new ATOM 0 HD2 ARG A 465 -16.935 -19.046 -0.694 1.00 72.25 H new ATOM 0 HD3 ARG A 465 -17.086 -20.239 -1.969 1.00 72.25 H new ATOM 0 HE ARG A 465 -18.616 -20.890 0.453 1.00 41.12 H new ATOM 0 HH11 ARG A 465 -18.706 -19.145 -2.643 1.00 31.14 H new ATOM 0 HH12 ARG A 465 -20.468 -19.211 -2.749 1.00 31.14 H new ATOM 0 HH21 ARG A 465 -20.862 -20.983 0.291 1.00 61.21 H new ATOM 0 HH22 ARG A 465 -21.686 -20.250 -1.089 1.00 61.21 H new ATOM 1014 N SER A 466 -15.538 -25.548 -0.924 1.00 24.11 N ATOM 1015 CA SER A 466 -15.937 -26.904 -1.200 1.00 1.20 C ATOM 1016 C SER A 466 -15.364 -27.819 -0.121 1.00 1.25 C ATOM 1017 O SER A 466 -15.981 -28.824 0.264 1.00 14.50 O ATOM 1018 CB SER A 466 -15.441 -27.322 -2.598 1.00 43.31 C ATOM 1019 OG SER A 466 -15.908 -28.613 -2.969 1.00 61.12 O ATOM 0 H SER A 466 -14.805 -25.197 -1.540 1.00 24.11 H new ATOM 0 HA SER A 466 -17.024 -26.983 -1.190 1.00 1.20 H new ATOM 0 HB2 SER A 466 -15.775 -26.591 -3.334 1.00 43.31 H new ATOM 0 HB3 SER A 466 -14.351 -27.313 -2.613 1.00 43.31 H new ATOM 0 HG SER A 466 -15.572 -28.838 -3.862 1.00 61.12 H new ATOM 1025 N GLN A 467 -14.191 -27.447 0.389 1.00 54.02 N ATOM 1026 CA GLN A 467 -13.544 -28.198 1.446 1.00 1.25 C ATOM 1027 C GLN A 467 -14.258 -27.972 2.760 1.00 53.11 C ATOM 1028 O GLN A 467 -14.467 -28.905 3.528 1.00 55.32 O ATOM 1029 CB GLN A 467 -12.064 -27.837 1.580 1.00 4.12 C ATOM 1030 CG GLN A 467 -11.237 -28.114 0.345 1.00 53.33 C ATOM 1031 CD GLN A 467 -9.764 -27.889 0.586 1.00 10.22 C ATOM 1032 OE1 GLN A 467 -9.313 -26.687 0.395 1.00 43.41 O flip ATOM 1033 NE2 GLN A 467 -9.043 -28.803 0.971 1.00 22.12 N flip ATOM 0 H GLN A 467 -13.673 -26.624 0.080 1.00 54.02 H new ATOM 0 HA GLN A 467 -13.601 -29.254 1.181 1.00 1.25 H new ATOM 0 HB2 GLN A 467 -11.982 -26.778 1.827 1.00 4.12 H new ATOM 0 HB3 GLN A 467 -11.642 -28.393 2.417 1.00 4.12 H new ATOM 0 HG2 GLN A 467 -11.398 -29.143 0.024 1.00 53.33 H new ATOM 0 HG3 GLN A 467 -11.573 -27.470 -0.468 1.00 53.33 H new ATOM 0 HE21 GLN A 467 -9.432 -29.735 1.110 1.00 22.12 H new ATOM 0 HE22 GLN A 467 -8.054 -28.631 1.152 1.00 22.12 H new ATOM 1042 N GLU A 468 -14.655 -26.735 3.006 1.00 20.05 N ATOM 1043 CA GLU A 468 -15.392 -26.403 4.222 1.00 54.32 C ATOM 1044 C GLU A 468 -16.818 -26.930 4.125 1.00 60.23 C ATOM 1045 O GLU A 468 -17.480 -27.152 5.140 1.00 70.44 O ATOM 1046 CB GLU A 468 -15.441 -24.900 4.438 1.00 0.22 C ATOM 1047 CG GLU A 468 -14.090 -24.221 4.482 1.00 23.02 C ATOM 1048 CD GLU A 468 -14.216 -22.763 4.809 1.00 4.31 C ATOM 1049 OE1 GLU A 468 -14.813 -22.015 4.016 1.00 3.41 O ATOM 1050 OE2 GLU A 468 -13.717 -22.334 5.878 1.00 51.50 O ATOM 0 H GLU A 468 -14.482 -25.944 2.385 1.00 20.05 H new ATOM 0 HA GLU A 468 -14.875 -26.867 5.062 1.00 54.32 H new ATOM 0 HB2 GLU A 468 -16.032 -24.451 3.639 1.00 0.22 H new ATOM 0 HB3 GLU A 468 -15.964 -24.698 5.373 1.00 0.22 H new ATOM 0 HG2 GLU A 468 -13.461 -24.709 5.227 1.00 23.02 H new ATOM 0 HG3 GLU A 468 -13.592 -24.337 3.519 1.00 23.02 H new ATOM 1057 N LYS A 469 -17.260 -27.144 2.890 1.00 54.30 N ATOM 1058 CA LYS A 469 -18.600 -27.598 2.548 1.00 22.55 C ATOM 1059 C LYS A 469 -19.656 -26.570 2.886 1.00 52.30 C ATOM 1060 O LYS A 469 -19.988 -26.342 4.057 1.00 34.12 O ATOM 1061 CB LYS A 469 -18.950 -28.955 3.153 1.00 2.01 C ATOM 1062 CG LYS A 469 -18.054 -30.072 2.728 1.00 61.52 C ATOM 1063 CD LYS A 469 -18.568 -31.370 3.267 1.00 70.41 C ATOM 1064 CE LYS A 469 -17.681 -32.500 2.869 1.00 54.24 C ATOM 1065 NZ LYS A 469 -18.240 -33.803 3.294 1.00 22.13 N ATOM 0 H LYS A 469 -16.671 -27.000 2.070 1.00 54.30 H new ATOM 0 HA LYS A 469 -18.591 -27.728 1.466 1.00 22.55 H new ATOM 0 HB2 LYS A 469 -18.918 -28.873 4.239 1.00 2.01 H new ATOM 0 HB3 LYS A 469 -19.976 -29.206 2.882 1.00 2.01 H new ATOM 0 HG2 LYS A 469 -18.003 -30.115 1.640 1.00 61.52 H new ATOM 0 HG3 LYS A 469 -17.041 -29.894 3.088 1.00 61.52 H new ATOM 0 HD2 LYS A 469 -18.631 -31.317 4.354 1.00 70.41 H new ATOM 0 HD3 LYS A 469 -19.578 -31.548 2.897 1.00 70.41 H new ATOM 0 HE2 LYS A 469 -17.547 -32.496 1.787 1.00 54.24 H new ATOM 0 HE3 LYS A 469 -16.695 -32.364 3.313 1.00 54.24 H new ATOM 0 HZ1 LYS A 469 -17.599 -34.568 3.002 1.00 22.13 H new ATOM 0 HZ2 LYS A 469 -18.344 -33.815 4.329 1.00 22.13 H new ATOM 0 HZ3 LYS A 469 -19.170 -33.943 2.851 1.00 22.13 H new ATOM 1079 N CYS A 470 -20.193 -25.969 1.875 1.00 45.30 N ATOM 1080 CA CYS A 470 -21.218 -25.000 2.055 1.00 11.21 C ATOM 1081 C CYS A 470 -22.488 -25.561 1.471 1.00 34.13 C ATOM 1082 O CYS A 470 -22.450 -26.405 0.561 1.00 30.52 O ATOM 1083 CB CYS A 470 -20.844 -23.703 1.333 1.00 41.40 C ATOM 1084 SG CYS A 470 -19.250 -23.009 1.829 1.00 22.44 S ATOM 0 H CYS A 470 -19.932 -26.137 0.903 1.00 45.30 H new ATOM 0 HA CYS A 470 -21.349 -24.778 3.114 1.00 11.21 H new ATOM 0 HB2 CYS A 470 -20.827 -23.890 0.259 1.00 41.40 H new ATOM 0 HB3 CYS A 470 -21.622 -22.962 1.515 1.00 41.40 H new ATOM 0 HG CYS A 470 -18.296 -23.823 1.485 1.00 22.44 H new ATOM 1090 N PHE A 471 -23.592 -25.129 1.977 1.00 43.23 N ATOM 1091 CA PHE A 471 -24.850 -25.609 1.512 1.00 71.14 C ATOM 1092 C PHE A 471 -25.647 -24.463 0.958 1.00 4.32 C ATOM 1093 O PHE A 471 -25.510 -23.334 1.424 1.00 31.44 O ATOM 1094 CB PHE A 471 -25.585 -26.362 2.626 1.00 32.24 C ATOM 1095 CG PHE A 471 -24.833 -27.592 3.087 1.00 65.13 C ATOM 1096 CD1 PHE A 471 -24.094 -27.580 4.257 1.00 21.43 C ATOM 1097 CD2 PHE A 471 -24.849 -28.750 2.328 1.00 52.41 C ATOM 1098 CE1 PHE A 471 -23.393 -28.698 4.662 1.00 53.04 C ATOM 1099 CE2 PHE A 471 -24.153 -29.873 2.728 1.00 62.55 C ATOM 1100 CZ PHE A 471 -23.422 -29.846 3.895 1.00 53.44 C ATOM 0 H PHE A 471 -23.649 -24.435 2.722 1.00 43.23 H new ATOM 0 HA PHE A 471 -24.700 -26.326 0.705 1.00 71.14 H new ATOM 0 HB2 PHE A 471 -25.736 -25.694 3.474 1.00 32.24 H new ATOM 0 HB3 PHE A 471 -26.573 -26.656 2.271 1.00 32.24 H new ATOM 0 HD1 PHE A 471 -24.065 -26.685 4.861 1.00 21.43 H new ATOM 0 HD2 PHE A 471 -25.415 -28.775 1.409 1.00 52.41 H new ATOM 0 HE1 PHE A 471 -22.822 -28.675 5.578 1.00 53.04 H new ATOM 0 HE2 PHE A 471 -24.182 -30.770 2.128 1.00 62.55 H new ATOM 0 HZ PHE A 471 -22.873 -30.721 4.210 1.00 53.44 H new ATOM 1110 N LEU A 472 -26.470 -24.755 -0.021 1.00 55.44 N ATOM 1111 CA LEU A 472 -27.227 -23.747 -0.752 1.00 71.11 C ATOM 1112 C LEU A 472 -28.190 -23.000 0.163 1.00 51.42 C ATOM 1113 O LEU A 472 -28.438 -21.810 -0.016 1.00 3.10 O ATOM 1114 CB LEU A 472 -27.992 -24.411 -1.908 1.00 12.55 C ATOM 1115 CG LEU A 472 -28.802 -23.486 -2.822 1.00 64.23 C ATOM 1116 CD1 LEU A 472 -27.896 -22.492 -3.521 1.00 74.11 C ATOM 1117 CD2 LEU A 472 -29.578 -24.297 -3.840 1.00 51.03 C ATOM 0 H LEU A 472 -26.640 -25.708 -0.342 1.00 55.44 H new ATOM 0 HA LEU A 472 -26.524 -23.017 -1.155 1.00 71.11 H new ATOM 0 HB2 LEU A 472 -27.274 -24.953 -2.523 1.00 12.55 H new ATOM 0 HB3 LEU A 472 -28.672 -25.151 -1.485 1.00 12.55 H new ATOM 0 HG LEU A 472 -29.508 -22.930 -2.205 1.00 64.23 H new ATOM 0 HD11 LEU A 472 -28.493 -21.846 -4.165 1.00 74.11 H new ATOM 0 HD12 LEU A 472 -27.379 -21.886 -2.777 1.00 74.11 H new ATOM 0 HD13 LEU A 472 -27.164 -23.029 -4.124 1.00 74.11 H new ATOM 0 HD21 LEU A 472 -30.148 -23.625 -4.482 1.00 51.03 H new ATOM 0 HD22 LEU A 472 -28.884 -24.878 -4.448 1.00 51.03 H new ATOM 0 HD23 LEU A 472 -30.261 -24.972 -3.324 1.00 51.03 H new ATOM 1129 N PHE A 473 -28.711 -23.690 1.146 1.00 72.22 N ATOM 1130 CA PHE A 473 -29.656 -23.090 2.065 1.00 54.34 C ATOM 1131 C PHE A 473 -29.010 -22.828 3.412 1.00 23.12 C ATOM 1132 O PHE A 473 -29.690 -22.454 4.368 1.00 64.52 O ATOM 1133 CB PHE A 473 -30.893 -23.979 2.210 1.00 45.53 C ATOM 1134 CG PHE A 473 -31.591 -24.207 0.908 1.00 13.35 C ATOM 1135 CD1 PHE A 473 -31.275 -25.301 0.125 1.00 2.21 C ATOM 1136 CD2 PHE A 473 -32.542 -23.320 0.459 1.00 31.22 C ATOM 1137 CE1 PHE A 473 -31.894 -25.502 -1.083 1.00 1.55 C ATOM 1138 CE2 PHE A 473 -33.170 -23.517 -0.747 1.00 31.42 C ATOM 1139 CZ PHE A 473 -32.844 -24.607 -1.519 1.00 44.20 C ATOM 0 H PHE A 473 -28.499 -24.670 1.334 1.00 72.22 H new ATOM 0 HA PHE A 473 -29.971 -22.129 1.658 1.00 54.34 H new ATOM 0 HB2 PHE A 473 -30.599 -24.939 2.633 1.00 45.53 H new ATOM 0 HB3 PHE A 473 -31.586 -23.519 2.914 1.00 45.53 H new ATOM 0 HD1 PHE A 473 -30.532 -26.006 0.468 1.00 2.21 H new ATOM 0 HD2 PHE A 473 -32.797 -22.460 1.061 1.00 31.22 H new ATOM 0 HE1 PHE A 473 -31.637 -26.358 -1.689 1.00 1.55 H new ATOM 0 HE2 PHE A 473 -33.918 -22.817 -1.088 1.00 31.42 H new ATOM 0 HZ PHE A 473 -33.334 -24.761 -2.469 1.00 44.20 H new ATOM 1149 N TRP A 474 -27.683 -22.990 3.456 1.00 21.50 N ATOM 1150 CA TRP A 474 -26.872 -22.806 4.662 1.00 21.03 C ATOM 1151 C TRP A 474 -27.329 -23.650 5.843 1.00 20.42 C ATOM 1152 O TRP A 474 -28.195 -23.243 6.637 1.00 44.02 O ATOM 1153 CB TRP A 474 -26.708 -21.330 5.043 1.00 35.24 C ATOM 1154 CG TRP A 474 -25.943 -20.545 4.027 1.00 14.11 C ATOM 1155 CD1 TRP A 474 -26.450 -19.800 3.002 1.00 73.01 C ATOM 1156 CD2 TRP A 474 -24.519 -20.448 3.928 1.00 14.11 C ATOM 1157 NE1 TRP A 474 -25.426 -19.234 2.283 1.00 65.14 N ATOM 1158 CE2 TRP A 474 -24.231 -19.622 2.830 1.00 50.21 C ATOM 1159 CE3 TRP A 474 -23.460 -20.981 4.669 1.00 60.10 C ATOM 1160 CZ2 TRP A 474 -22.931 -19.310 2.456 1.00 53.02 C ATOM 1161 CZ3 TRP A 474 -22.168 -20.672 4.294 1.00 52.12 C ATOM 1162 CH2 TRP A 474 -21.915 -19.844 3.197 1.00 40.41 C ATOM 0 H TRP A 474 -27.134 -23.257 2.639 1.00 21.50 H new ATOM 0 HA TRP A 474 -25.883 -23.180 4.396 1.00 21.03 H new ATOM 0 HB2 TRP A 474 -27.693 -20.883 5.173 1.00 35.24 H new ATOM 0 HB3 TRP A 474 -26.198 -21.263 6.004 1.00 35.24 H new ATOM 0 HD1 TRP A 474 -27.501 -19.674 2.788 1.00 73.01 H new ATOM 0 HE1 TRP A 474 -25.537 -18.624 1.473 1.00 65.14 H new ATOM 0 HE3 TRP A 474 -23.649 -21.622 5.518 1.00 60.10 H new ATOM 0 HZ2 TRP A 474 -22.730 -18.669 1.610 1.00 53.02 H new ATOM 0 HZ3 TRP A 474 -21.340 -21.076 4.857 1.00 52.12 H new ATOM 0 HH2 TRP A 474 -20.893 -19.621 2.929 1.00 40.41 H new ATOM 1173 N SER A 475 -26.769 -24.818 5.944 1.00 52.01 N ATOM 1174 CA SER A 475 -27.083 -25.707 7.006 1.00 71.25 C ATOM 1175 C SER A 475 -26.219 -25.330 8.195 1.00 1.31 C ATOM 1176 O SER A 475 -26.744 -24.729 9.154 1.00 38.47 O ATOM 1177 CB SER A 475 -26.849 -27.167 6.579 1.00 72.11 C ATOM 1178 OG SER A 475 -27.317 -28.087 7.562 1.00 63.35 O ATOM 1179 OXT SER A 475 -24.977 -25.560 8.141 1.00 38.47 O ATOM 0 H SER A 475 -26.078 -25.177 5.285 1.00 52.01 H new ATOM 0 HA SER A 475 -28.136 -25.624 7.276 1.00 71.25 H new ATOM 0 HB2 SER A 475 -27.358 -27.355 5.634 1.00 72.11 H new ATOM 0 HB3 SER A 475 -25.785 -27.329 6.406 1.00 72.11 H new ATOM 0 HG SER A 475 -27.154 -29.004 7.256 1.00 63.35 H new TER 1185 SER A 475