USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 436 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 464 CYS SG : rot 124:sc= -1.85! USER MOD Set 1.2: A 467 CYS SG : rot 74:sc= 1.05 USER MOD Set 1.3: A 475 CYS SG : rot 126:sc= 0.497 USER MOD Set 1.4: A 479 HIS : no HD1:sc= -6.68! C(o=-7!,f=-11!) USER MOD Set 2.1: A 436 CYS SG : rot 142:sc= -1.29! USER MOD Set 2.2: A 439 CYS SG : rot -42:sc= 1.15 USER MOD Set 2.3: A 441 THR OG1 : rot -99:sc= 1.25 USER MOD Set 2.4: A 454 CYS SG : rot -171:sc= -0.418 USER MOD Set 2.5: A 459 CYS SG : rot 159:sc= 1.25 USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 432 SER OG : rot 180:sc= 0 USER MOD Single : A 433 THR OG1 : rot 180:sc= 0.0509 USER MOD Single : A 434 LYS NZ :NH3+ -166:sc= -4.41! (180deg=-4.79!) USER MOD Single : A 438 LYS NZ :NH3+ 143:sc= -0.572 (180deg=-2.23!) USER MOD Single : A 443 THR OG1 : rot 180:sc= 0 USER MOD Single : A 449 CYS SG : rot 3:sc= -1.47! USER MOD Single : A 450 MET CE :methyl 135:sc= -0.194 (180deg=-1.3) USER MOD Single : A 451 HIS : no HD1:sc= 0.513 K(o=0.51,f=-3.2!) USER MOD Single : A 452 MET CE :methyl 155:sc= -1.95 (180deg=-3.16!) USER MOD Single : A 455 THR OG1 : rot 9:sc= 1.02 USER MOD Single : A 468 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 469 THR OG1 : rot 69:sc= 0.789 USER MOD Single : A 472 THR OG1 : rot 180:sc= 0 USER MOD Single : A 476 MET CE :methyl -161:sc= -0.0848 (180deg=-0.549) USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 418 6.410 -12.572 -4.171 1.00 0.00 N ATOM 32 CA GLU A 418 7.791 -13.016 -4.072 1.00 0.00 C ATOM 33 C GLU A 418 8.476 -12.885 -5.429 1.00 0.00 C ATOM 34 O GLU A 418 7.834 -13.030 -6.474 1.00 0.00 O ATOM 35 CB GLU A 418 7.848 -14.469 -3.595 1.00 0.00 C ATOM 36 CG GLU A 418 7.020 -14.744 -2.345 1.00 0.00 C ATOM 37 CD GLU A 418 7.479 -13.952 -1.135 1.00 0.00 C ATOM 38 OE1 GLU A 418 7.044 -12.794 -0.975 1.00 0.00 O ATOM 39 OE2 GLU A 418 8.257 -14.492 -0.329 1.00 0.00 O ATOM 0 HA GLU A 418 8.311 -12.390 -3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 418 7.501 -15.118 -4.399 1.00 0.00 H new ATOM 0 HB3 GLU A 418 8.886 -14.735 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.976 -14.508 -2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 418 7.067 -15.808 -2.113 1.00 0.00 H new ATOM 46 N ALA A 419 9.761 -12.607 -5.415 1.00 0.00 N ATOM 47 CA ALA A 419 10.503 -12.425 -6.646 1.00 0.00 C ATOM 48 C ALA A 419 11.923 -12.948 -6.509 1.00 0.00 C ATOM 49 O ALA A 419 12.243 -13.656 -5.559 1.00 0.00 O ATOM 50 CB ALA A 419 10.511 -10.955 -7.034 1.00 0.00 C ATOM 0 H ALA A 419 10.315 -12.502 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 419 10.011 -12.997 -7.433 1.00 0.00 H new ATOM 0 HB1 ALA A 419 11.071 -10.826 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 419 9.487 -10.611 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 419 10.981 -10.372 -6.242 1.00 0.00 H new ATOM 56 N ARG A 420 12.758 -12.600 -7.467 1.00 0.00 N ATOM 57 CA ARG A 420 14.144 -13.022 -7.476 1.00 0.00 C ATOM 58 C ARG A 420 14.993 -12.092 -6.606 1.00 0.00 C ATOM 59 O ARG A 420 14.886 -10.861 -6.705 1.00 0.00 O ATOM 60 CB ARG A 420 14.669 -13.024 -8.917 1.00 0.00 C ATOM 61 CG ARG A 420 16.063 -13.609 -9.084 1.00 0.00 C ATOM 62 CD ARG A 420 16.100 -15.085 -8.722 1.00 0.00 C ATOM 63 NE ARG A 420 15.139 -15.874 -9.499 1.00 0.00 N ATOM 64 CZ ARG A 420 14.891 -17.170 -9.294 1.00 0.00 C ATOM 65 NH1 ARG A 420 15.553 -17.834 -8.352 1.00 0.00 N ATOM 66 NH2 ARG A 420 13.987 -17.800 -10.037 1.00 0.00 N ATOM 0 H ARG A 420 12.495 -12.017 -8.261 1.00 0.00 H new ATOM 0 HA ARG A 420 14.211 -14.030 -7.066 1.00 0.00 H new ATOM 0 HB2 ARG A 420 13.976 -13.588 -9.541 1.00 0.00 H new ATOM 0 HB3 ARG A 420 14.672 -12.000 -9.290 1.00 0.00 H new ATOM 0 HG2 ARG A 420 16.391 -13.479 -10.115 1.00 0.00 H new ATOM 0 HG3 ARG A 420 16.765 -13.062 -8.455 1.00 0.00 H new ATOM 0 HD2 ARG A 420 17.105 -15.473 -8.890 1.00 0.00 H new ATOM 0 HD3 ARG A 420 15.887 -15.201 -7.659 1.00 0.00 H new ATOM 0 HE ARG A 420 14.627 -15.402 -10.244 1.00 0.00 H new ATOM 0 HH11 ARG A 420 16.251 -17.354 -7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 420 15.363 -18.824 -8.196 1.00 0.00 H new ATOM 0 HH21 ARG A 420 13.482 -17.294 -10.764 1.00 0.00 H new ATOM 0 HH22 ARG A 420 13.798 -18.790 -9.880 1.00 0.00 H new ATOM 80 N TRP A 421 15.814 -12.675 -5.749 1.00 0.00 N ATOM 81 CA TRP A 421 16.690 -11.901 -4.880 1.00 0.00 C ATOM 82 C TRP A 421 18.072 -12.537 -4.759 1.00 0.00 C ATOM 83 O TRP A 421 18.523 -12.890 -3.663 1.00 0.00 O ATOM 84 CB TRP A 421 16.054 -11.673 -3.492 1.00 0.00 C ATOM 85 CG TRP A 421 15.306 -12.856 -2.955 1.00 0.00 C ATOM 86 CD1 TRP A 421 15.827 -14.061 -2.591 1.00 0.00 C ATOM 87 CD2 TRP A 421 13.899 -12.937 -2.712 1.00 0.00 C ATOM 88 NE1 TRP A 421 14.827 -14.893 -2.149 1.00 0.00 N ATOM 89 CE2 TRP A 421 13.634 -14.223 -2.210 1.00 0.00 C ATOM 90 CE3 TRP A 421 12.837 -12.043 -2.872 1.00 0.00 C ATOM 91 CZ2 TRP A 421 12.351 -14.639 -1.869 1.00 0.00 C ATOM 92 CZ3 TRP A 421 11.565 -12.457 -2.533 1.00 0.00 C ATOM 93 CH2 TRP A 421 11.331 -13.744 -2.036 1.00 0.00 C ATOM 0 H TRP A 421 15.894 -13.685 -5.635 1.00 0.00 H new ATOM 0 HA TRP A 421 16.822 -10.924 -5.346 1.00 0.00 H new ATOM 0 HB2 TRP A 421 16.839 -11.403 -2.786 1.00 0.00 H new ATOM 0 HB3 TRP A 421 15.373 -10.824 -3.552 1.00 0.00 H new ATOM 0 HD1 TRP A 421 16.873 -14.324 -2.642 1.00 0.00 H new ATOM 0 HE1 TRP A 421 14.953 -15.853 -1.828 1.00 0.00 H new ATOM 0 HE3 TRP A 421 13.008 -11.047 -3.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 421 12.167 -15.632 -1.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 421 10.736 -11.776 -2.653 1.00 0.00 H new ATOM 0 HH2 TRP A 421 10.324 -14.036 -1.779 1.00 0.00 H new ATOM 104 N ASP A 422 18.738 -12.683 -5.892 1.00 0.00 N ATOM 105 CA ASP A 422 20.085 -13.236 -5.928 1.00 0.00 C ATOM 106 C ASP A 422 21.068 -12.197 -5.421 1.00 0.00 C ATOM 107 O ASP A 422 21.199 -11.120 -6.002 1.00 0.00 O ATOM 108 CB ASP A 422 20.452 -13.673 -7.350 1.00 0.00 C ATOM 109 CG ASP A 422 21.842 -14.271 -7.436 1.00 0.00 C ATOM 110 OD1 ASP A 422 22.091 -15.311 -6.790 1.00 0.00 O ATOM 111 OD2 ASP A 422 22.693 -13.718 -8.165 1.00 0.00 O ATOM 0 H ASP A 422 18.366 -12.425 -6.806 1.00 0.00 H new ATOM 0 HA ASP A 422 20.127 -14.115 -5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 422 19.724 -14.404 -7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 422 20.388 -12.814 -8.018 1.00 0.00 H new ATOM 116 N GLU A 423 21.737 -12.511 -4.334 1.00 0.00 N ATOM 117 CA GLU A 423 22.635 -11.567 -3.700 1.00 0.00 C ATOM 118 C GLU A 423 24.089 -11.877 -4.006 1.00 0.00 C ATOM 119 O GLU A 423 24.710 -12.713 -3.352 1.00 0.00 O ATOM 120 CB GLU A 423 22.398 -11.554 -2.198 1.00 0.00 C ATOM 121 CG GLU A 423 20.981 -11.170 -1.818 1.00 0.00 C ATOM 122 CD GLU A 423 20.730 -11.264 -0.335 1.00 0.00 C ATOM 123 OE1 GLU A 423 21.199 -10.375 0.408 1.00 0.00 O ATOM 124 OE2 GLU A 423 20.058 -12.227 0.096 1.00 0.00 O ATOM 0 H GLU A 423 21.677 -13.416 -3.868 1.00 0.00 H new ATOM 0 HA GLU A 423 22.422 -10.578 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 423 22.620 -12.541 -1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 423 23.094 -10.855 -1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 423 20.783 -10.151 -2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 423 20.280 -11.819 -2.343 1.00 0.00 H new ATOM 131 N ALA A 424 24.619 -11.214 -5.009 1.00 0.00 N ATOM 132 CA ALA A 424 26.003 -11.384 -5.394 1.00 0.00 C ATOM 133 C ALA A 424 26.573 -10.077 -5.916 1.00 0.00 C ATOM 134 O ALA A 424 26.592 -9.830 -7.125 1.00 0.00 O ATOM 135 CB ALA A 424 26.143 -12.482 -6.433 1.00 0.00 C ATOM 0 H ALA A 424 24.105 -10.543 -5.580 1.00 0.00 H new ATOM 0 HA ALA A 424 26.570 -11.679 -4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 424 27.192 -12.592 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 424 25.775 -13.422 -6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 424 25.562 -12.222 -7.318 1.00 0.00 H new ATOM 141 N SER A 425 26.998 -9.231 -5.003 1.00 0.00 N ATOM 142 CA SER A 425 27.572 -7.949 -5.359 1.00 0.00 C ATOM 143 C SER A 425 29.053 -7.935 -5.025 1.00 0.00 C ATOM 144 O SER A 425 29.431 -7.691 -3.882 1.00 0.00 O ATOM 145 CB SER A 425 26.859 -6.821 -4.607 1.00 0.00 C ATOM 146 OG SER A 425 25.453 -6.875 -4.808 1.00 0.00 O ATOM 0 H SER A 425 26.957 -9.409 -4.000 1.00 0.00 H new ATOM 0 HA SER A 425 27.444 -7.793 -6.430 1.00 0.00 H new ATOM 0 HB2 SER A 425 27.079 -6.895 -3.542 1.00 0.00 H new ATOM 0 HB3 SER A 425 27.240 -5.858 -4.945 1.00 0.00 H new ATOM 0 HG SER A 425 25.024 -6.145 -4.315 1.00 0.00 H new ATOM 152 N ASN A 426 29.888 -8.220 -6.011 1.00 0.00 N ATOM 153 CA ASN A 426 31.326 -8.263 -5.791 1.00 0.00 C ATOM 154 C ASN A 426 32.089 -8.269 -7.104 1.00 0.00 C ATOM 155 O ASN A 426 31.771 -9.037 -8.017 1.00 0.00 O ATOM 156 CB ASN A 426 31.711 -9.503 -4.961 1.00 0.00 C ATOM 157 CG ASN A 426 33.218 -9.676 -4.814 1.00 0.00 C ATOM 158 OD1 ASN A 426 33.861 -10.342 -5.630 1.00 0.00 O ATOM 159 ND2 ASN A 426 33.789 -9.092 -3.776 1.00 0.00 N ATOM 0 H ASN A 426 29.598 -8.424 -6.967 1.00 0.00 H new ATOM 0 HA ASN A 426 31.598 -7.363 -5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 426 31.261 -9.425 -3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 426 31.293 -10.393 -5.432 1.00 0.00 H new ATOM 0 HD21 ASN A 426 34.794 -9.184 -3.628 1.00 0.00 H new ATOM 0 HD22 ASN A 426 33.225 -8.549 -3.122 1.00 0.00 H new ATOM 166 N VAL A 427 33.071 -7.394 -7.200 1.00 0.00 N ATOM 167 CA VAL A 427 33.961 -7.351 -8.346 1.00 0.00 C ATOM 168 C VAL A 427 35.347 -7.830 -7.917 1.00 0.00 C ATOM 169 O VAL A 427 35.766 -7.587 -6.787 1.00 0.00 O ATOM 170 CB VAL A 427 34.059 -5.926 -8.962 1.00 0.00 C ATOM 171 CG1 VAL A 427 32.720 -5.509 -9.553 1.00 0.00 C ATOM 172 CG2 VAL A 427 34.521 -4.911 -7.925 1.00 0.00 C ATOM 0 H VAL A 427 33.275 -6.693 -6.487 1.00 0.00 H new ATOM 0 HA VAL A 427 33.553 -8.006 -9.116 1.00 0.00 H new ATOM 0 HB VAL A 427 34.800 -5.954 -9.760 1.00 0.00 H new ATOM 0 HG11 VAL A 427 32.806 -4.510 -9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 427 32.432 -6.213 -10.333 1.00 0.00 H new ATOM 0 HG13 VAL A 427 31.962 -5.505 -8.770 1.00 0.00 H new ATOM 0 HG21 VAL A 427 34.580 -3.924 -8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 427 33.810 -4.885 -7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 427 35.504 -5.196 -7.549 1.00 0.00 H new ATOM 237 N VAL A 431 37.460 -1.393 -10.706 1.00 0.00 N ATOM 238 CA VAL A 431 36.488 -0.907 -11.667 1.00 0.00 C ATOM 239 C VAL A 431 37.165 0.039 -12.674 1.00 0.00 C ATOM 240 O VAL A 431 38.067 0.809 -12.311 1.00 0.00 O ATOM 241 CB VAL A 431 35.287 -0.213 -10.956 1.00 0.00 C ATOM 242 CG1 VAL A 431 35.709 1.044 -10.241 1.00 0.00 C ATOM 243 CG2 VAL A 431 34.150 0.062 -11.925 1.00 0.00 C ATOM 0 HA VAL A 431 36.088 -1.761 -12.214 1.00 0.00 H new ATOM 0 HB VAL A 431 34.919 -0.908 -10.201 1.00 0.00 H new ATOM 0 HG11 VAL A 431 34.843 1.497 -9.759 1.00 0.00 H new ATOM 0 HG12 VAL A 431 36.457 0.800 -9.487 1.00 0.00 H new ATOM 0 HG13 VAL A 431 36.133 1.746 -10.959 1.00 0.00 H new ATOM 0 HG21 VAL A 431 33.330 0.546 -11.395 1.00 0.00 H new ATOM 0 HG22 VAL A 431 34.502 0.715 -12.723 1.00 0.00 H new ATOM 0 HG23 VAL A 431 33.801 -0.878 -12.353 1.00 0.00 H new ATOM 253 N SER A 432 36.753 -0.041 -13.928 1.00 0.00 N ATOM 254 CA SER A 432 37.375 0.736 -14.989 1.00 0.00 C ATOM 255 C SER A 432 37.209 2.236 -14.767 1.00 0.00 C ATOM 256 O SER A 432 38.176 2.984 -14.824 1.00 0.00 O ATOM 257 CB SER A 432 36.824 0.317 -16.348 1.00 0.00 C ATOM 258 OG SER A 432 36.970 -1.084 -16.533 1.00 0.00 O ATOM 0 H SER A 432 35.987 -0.639 -14.238 1.00 0.00 H new ATOM 0 HA SER A 432 38.445 0.528 -14.970 1.00 0.00 H new ATOM 0 HB2 SER A 432 35.772 0.592 -16.421 1.00 0.00 H new ATOM 0 HB3 SER A 432 37.349 0.851 -17.140 1.00 0.00 H new ATOM 0 HG SER A 432 36.610 -1.338 -17.409 1.00 0.00 H new ATOM 264 N THR A 433 36.013 2.675 -14.476 1.00 0.00 N ATOM 265 CA THR A 433 35.798 4.082 -14.249 1.00 0.00 C ATOM 266 C THR A 433 36.107 4.428 -12.806 1.00 0.00 C ATOM 267 O THR A 433 35.714 3.719 -11.884 1.00 0.00 O ATOM 268 CB THR A 433 34.372 4.495 -14.596 1.00 0.00 C ATOM 269 OG1 THR A 433 33.640 3.350 -15.046 1.00 0.00 O ATOM 270 CG2 THR A 433 34.384 5.543 -15.692 1.00 0.00 C ATOM 0 H THR A 433 35.182 2.089 -14.391 1.00 0.00 H new ATOM 0 HA THR A 433 36.472 4.634 -14.905 1.00 0.00 H new ATOM 0 HB THR A 433 33.898 4.912 -13.707 1.00 0.00 H new ATOM 0 HG1 THR A 433 32.723 3.614 -15.268 1.00 0.00 H new ATOM 0 HG21 THR A 433 33.360 5.830 -15.932 1.00 0.00 H new ATOM 0 HG22 THR A 433 34.937 6.419 -15.352 1.00 0.00 H new ATOM 0 HG23 THR A 433 34.864 5.134 -16.581 1.00 0.00 H new ATOM 278 N LYS A 434 36.836 5.493 -12.621 1.00 0.00 N ATOM 279 CA LYS A 434 37.265 5.911 -11.306 1.00 0.00 C ATOM 280 C LYS A 434 36.530 7.179 -10.912 1.00 0.00 C ATOM 281 O LYS A 434 36.334 8.061 -11.736 1.00 0.00 O ATOM 282 CB LYS A 434 38.785 6.138 -11.311 1.00 0.00 C ATOM 283 CG LYS A 434 39.582 4.965 -11.904 1.00 0.00 C ATOM 284 CD LYS A 434 40.196 4.054 -10.840 1.00 0.00 C ATOM 285 CE LYS A 434 39.161 3.473 -9.898 1.00 0.00 C ATOM 286 NZ LYS A 434 38.053 2.828 -10.609 1.00 0.00 N ATOM 0 H LYS A 434 37.153 6.100 -13.377 1.00 0.00 H new ATOM 0 HA LYS A 434 37.033 5.136 -10.576 1.00 0.00 H new ATOM 0 HB2 LYS A 434 39.007 7.041 -11.880 1.00 0.00 H new ATOM 0 HB3 LYS A 434 39.121 6.314 -10.289 1.00 0.00 H new ATOM 0 HG2 LYS A 434 38.926 4.375 -12.543 1.00 0.00 H new ATOM 0 HG3 LYS A 434 40.376 5.358 -12.539 1.00 0.00 H new ATOM 0 HD2 LYS A 434 40.732 3.241 -11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 434 40.929 4.618 -10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 434 39.639 2.746 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 434 38.768 4.266 -9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 37.268 2.660 -9.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 37.730 3.445 -11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 38.374 1.921 -11.003 1.00 0.00 H new ATOM 300 N PRO A 435 36.084 7.271 -9.665 1.00 0.00 N ATOM 301 CA PRO A 435 35.348 8.433 -9.190 1.00 0.00 C ATOM 302 C PRO A 435 36.255 9.627 -8.899 1.00 0.00 C ATOM 303 O PRO A 435 37.339 9.477 -8.321 1.00 0.00 O ATOM 304 CB PRO A 435 34.695 7.931 -7.903 1.00 0.00 C ATOM 305 CG PRO A 435 35.624 6.881 -7.396 1.00 0.00 C ATOM 306 CD PRO A 435 36.253 6.251 -8.612 1.00 0.00 C ATOM 0 HA PRO A 435 34.640 8.797 -9.934 1.00 0.00 H new ATOM 0 HB2 PRO A 435 34.574 8.737 -7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 435 33.702 7.523 -8.095 1.00 0.00 H new ATOM 0 HG2 PRO A 435 36.384 7.315 -6.746 1.00 0.00 H new ATOM 0 HG3 PRO A 435 35.087 6.138 -6.807 1.00 0.00 H new ATOM 0 HD2 PRO A 435 37.305 6.020 -8.444 1.00 0.00 H new ATOM 0 HD3 PRO A 435 35.760 5.316 -8.878 1.00 0.00 H new ATOM 314 N CYS A 436 35.808 10.807 -9.322 1.00 0.00 N ATOM 315 CA CYS A 436 36.512 12.051 -9.049 1.00 0.00 C ATOM 316 C CYS A 436 36.605 12.257 -7.539 1.00 0.00 C ATOM 317 O CYS A 436 35.677 11.919 -6.810 1.00 0.00 O ATOM 318 CB CYS A 436 35.746 13.217 -9.710 1.00 0.00 C ATOM 319 SG CYS A 436 36.389 14.897 -9.356 1.00 0.00 S ATOM 0 H CYS A 436 34.950 10.925 -9.862 1.00 0.00 H new ATOM 0 HA CYS A 436 37.521 12.012 -9.459 1.00 0.00 H new ATOM 0 HB2 CYS A 436 35.753 13.066 -10.789 1.00 0.00 H new ATOM 0 HB3 CYS A 436 34.705 13.172 -9.389 1.00 0.00 H new ATOM 0 HG CYS A 436 36.290 15.633 -10.423 1.00 0.00 H new ATOM 324 N PRO A 437 37.706 12.828 -7.044 1.00 0.00 N ATOM 325 CA PRO A 437 37.888 13.049 -5.616 1.00 0.00 C ATOM 326 C PRO A 437 37.080 14.245 -5.148 1.00 0.00 C ATOM 327 O PRO A 437 37.092 14.607 -3.972 1.00 0.00 O ATOM 328 CB PRO A 437 39.382 13.345 -5.508 1.00 0.00 C ATOM 329 CG PRO A 437 39.708 14.006 -6.797 1.00 0.00 C ATOM 330 CD PRO A 437 38.847 13.335 -7.830 1.00 0.00 C ATOM 0 HA PRO A 437 37.562 12.207 -5.006 1.00 0.00 H new ATOM 0 HB2 PRO A 437 39.601 13.994 -4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 437 39.961 12.432 -5.369 1.00 0.00 H new ATOM 0 HG2 PRO A 437 39.502 15.075 -6.751 1.00 0.00 H new ATOM 0 HG3 PRO A 437 40.765 13.895 -7.037 1.00 0.00 H new ATOM 0 HD2 PRO A 437 38.525 14.035 -8.601 1.00 0.00 H new ATOM 0 HD3 PRO A 437 39.379 12.528 -8.334 1.00 0.00 H new ATOM 338 N LYS A 438 36.388 14.866 -6.088 1.00 0.00 N ATOM 339 CA LYS A 438 35.606 16.041 -5.805 1.00 0.00 C ATOM 340 C LYS A 438 34.110 15.755 -5.961 1.00 0.00 C ATOM 341 O LYS A 438 33.344 15.884 -5.006 1.00 0.00 O ATOM 342 CB LYS A 438 36.020 17.183 -6.736 1.00 0.00 C ATOM 343 CG LYS A 438 37.525 17.412 -6.821 1.00 0.00 C ATOM 344 CD LYS A 438 38.169 17.670 -5.461 1.00 0.00 C ATOM 345 CE LYS A 438 38.021 19.126 -5.001 1.00 0.00 C ATOM 346 NZ LYS A 438 36.622 19.492 -4.654 1.00 0.00 N ATOM 0 H LYS A 438 36.357 14.566 -7.062 1.00 0.00 H new ATOM 0 HA LYS A 438 35.792 16.334 -4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 438 35.639 16.976 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 438 35.543 18.103 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 438 37.994 16.541 -7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 438 37.721 18.261 -7.476 1.00 0.00 H new ATOM 0 HD2 LYS A 438 37.717 17.011 -4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 438 39.228 17.415 -5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 438 38.659 19.293 -4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 438 38.378 19.788 -5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 438 36.624 20.137 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 438 36.175 19.963 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 438 36.087 18.633 -4.415 1.00 0.00 H new ATOM 360 N CYS A 439 33.701 15.359 -7.162 1.00 0.00 N ATOM 361 CA CYS A 439 32.289 15.102 -7.438 1.00 0.00 C ATOM 362 C CYS A 439 31.975 13.609 -7.471 1.00 0.00 C ATOM 363 O CYS A 439 30.807 13.213 -7.414 1.00 0.00 O ATOM 364 CB CYS A 439 31.887 15.755 -8.755 1.00 0.00 C ATOM 365 SG CYS A 439 32.941 15.299 -10.158 1.00 0.00 S ATOM 0 H CYS A 439 34.322 15.209 -7.957 1.00 0.00 H new ATOM 0 HA CYS A 439 31.709 15.539 -6.625 1.00 0.00 H new ATOM 0 HB2 CYS A 439 30.857 15.482 -8.984 1.00 0.00 H new ATOM 0 HB3 CYS A 439 31.910 16.838 -8.633 1.00 0.00 H new ATOM 0 HG CYS A 439 34.186 15.305 -9.785 1.00 0.00 H new ATOM 370 N ARG A 440 33.017 12.798 -7.572 1.00 0.00 N ATOM 371 CA ARG A 440 32.892 11.338 -7.620 1.00 0.00 C ATOM 372 C ARG A 440 32.169 10.841 -8.866 1.00 0.00 C ATOM 373 O ARG A 440 31.602 9.751 -8.864 1.00 0.00 O ATOM 374 CB ARG A 440 32.244 10.778 -6.355 1.00 0.00 C ATOM 375 CG ARG A 440 33.193 10.724 -5.180 1.00 0.00 C ATOM 376 CD ARG A 440 32.647 9.862 -4.067 1.00 0.00 C ATOM 377 NE ARG A 440 33.667 9.584 -3.057 1.00 0.00 N ATOM 378 CZ ARG A 440 34.373 8.449 -2.997 1.00 0.00 C ATOM 379 NH1 ARG A 440 34.109 7.451 -3.834 1.00 0.00 N ATOM 380 NH2 ARG A 440 35.322 8.303 -2.084 1.00 0.00 N ATOM 0 H ARG A 440 33.980 13.130 -7.624 1.00 0.00 H new ATOM 0 HA ARG A 440 33.912 10.958 -7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 440 31.383 11.393 -6.092 1.00 0.00 H new ATOM 0 HB3 ARG A 440 31.869 9.775 -6.559 1.00 0.00 H new ATOM 0 HG2 ARG A 440 34.156 10.332 -5.507 1.00 0.00 H new ATOM 0 HG3 ARG A 440 33.370 11.733 -4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 440 31.798 10.362 -3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 440 32.277 8.924 -4.480 1.00 0.00 H new ATOM 0 HE ARG A 440 33.852 10.300 -2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 440 33.366 7.549 -4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 440 34.650 6.588 -3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 440 35.516 9.057 -1.425 1.00 0.00 H new ATOM 0 HH22 ARG A 440 35.859 7.437 -2.040 1.00 0.00 H new ATOM 394 N THR A 441 32.216 11.618 -9.932 1.00 0.00 N ATOM 395 CA THR A 441 31.610 11.204 -11.181 1.00 0.00 C ATOM 396 C THR A 441 32.478 10.148 -11.864 1.00 0.00 C ATOM 397 O THR A 441 33.688 10.068 -11.607 1.00 0.00 O ATOM 398 CB THR A 441 31.391 12.397 -12.130 1.00 0.00 C ATOM 399 OG1 THR A 441 32.560 13.223 -12.162 1.00 0.00 O ATOM 400 CG2 THR A 441 30.189 13.217 -11.691 1.00 0.00 C ATOM 0 H THR A 441 32.665 12.534 -9.957 1.00 0.00 H new ATOM 0 HA THR A 441 30.634 10.777 -10.949 1.00 0.00 H new ATOM 0 HB THR A 441 31.201 12.009 -13.131 1.00 0.00 H new ATOM 0 HG1 THR A 441 32.430 13.997 -11.576 1.00 0.00 H new ATOM 0 HG21 THR A 441 30.051 14.055 -12.374 1.00 0.00 H new ATOM 0 HG22 THR A 441 29.297 12.590 -11.701 1.00 0.00 H new ATOM 0 HG23 THR A 441 30.355 13.595 -10.682 1.00 0.00 H new ATOM 408 N PRO A 442 31.875 9.305 -12.721 1.00 0.00 N ATOM 409 CA PRO A 442 32.600 8.248 -13.431 1.00 0.00 C ATOM 410 C PRO A 442 33.644 8.801 -14.406 1.00 0.00 C ATOM 411 O PRO A 442 33.323 9.194 -15.536 1.00 0.00 O ATOM 412 CB PRO A 442 31.496 7.497 -14.190 1.00 0.00 C ATOM 413 CG PRO A 442 30.374 8.470 -14.294 1.00 0.00 C ATOM 414 CD PRO A 442 30.437 9.306 -13.053 1.00 0.00 C ATOM 0 HA PRO A 442 33.165 7.618 -12.745 1.00 0.00 H new ATOM 0 HB2 PRO A 442 31.838 7.182 -15.176 1.00 0.00 H new ATOM 0 HB3 PRO A 442 31.191 6.597 -13.656 1.00 0.00 H new ATOM 0 HG2 PRO A 442 30.475 9.088 -15.186 1.00 0.00 H new ATOM 0 HG3 PRO A 442 29.416 7.955 -14.369 1.00 0.00 H new ATOM 0 HD2 PRO A 442 30.064 10.315 -13.228 1.00 0.00 H new ATOM 0 HD3 PRO A 442 29.837 8.880 -12.249 1.00 0.00 H new ATOM 422 N THR A 443 34.880 8.835 -13.961 1.00 0.00 N ATOM 423 CA THR A 443 35.978 9.305 -14.773 1.00 0.00 C ATOM 424 C THR A 443 36.699 8.124 -15.404 1.00 0.00 C ATOM 425 O THR A 443 37.057 7.164 -14.717 1.00 0.00 O ATOM 426 CB THR A 443 36.973 10.123 -13.923 1.00 0.00 C ATOM 427 OG1 THR A 443 36.290 11.235 -13.332 1.00 0.00 O ATOM 428 CG2 THR A 443 38.130 10.630 -14.770 1.00 0.00 C ATOM 0 H THR A 443 35.152 8.537 -13.024 1.00 0.00 H new ATOM 0 HA THR A 443 35.576 9.947 -15.557 1.00 0.00 H new ATOM 0 HB THR A 443 37.377 9.475 -13.145 1.00 0.00 H new ATOM 0 HG1 THR A 443 36.920 11.755 -12.790 1.00 0.00 H new ATOM 0 HG21 THR A 443 38.815 11.203 -14.145 1.00 0.00 H new ATOM 0 HG22 THR A 443 38.659 9.783 -15.207 1.00 0.00 H new ATOM 0 HG23 THR A 443 37.746 11.268 -15.566 1.00 0.00 H new ATOM 436 N GLU A 444 36.883 8.178 -16.710 1.00 0.00 N ATOM 437 CA GLU A 444 37.556 7.109 -17.421 1.00 0.00 C ATOM 438 C GLU A 444 39.013 7.026 -17.018 1.00 0.00 C ATOM 439 O GLU A 444 39.691 8.043 -16.873 1.00 0.00 O ATOM 440 CB GLU A 444 37.440 7.299 -18.925 1.00 0.00 C ATOM 441 CG GLU A 444 36.025 7.168 -19.451 1.00 0.00 C ATOM 442 CD GLU A 444 35.431 5.795 -19.217 1.00 0.00 C ATOM 443 OE1 GLU A 444 36.161 4.789 -19.356 1.00 0.00 O ATOM 444 OE2 GLU A 444 34.233 5.715 -18.890 1.00 0.00 O ATOM 0 H GLU A 444 36.575 8.951 -17.300 1.00 0.00 H new ATOM 0 HA GLU A 444 37.067 6.173 -17.151 1.00 0.00 H new ATOM 0 HB2 GLU A 444 37.826 8.284 -19.188 1.00 0.00 H new ATOM 0 HB3 GLU A 444 38.073 6.565 -19.424 1.00 0.00 H new ATOM 0 HG2 GLU A 444 35.394 7.917 -18.972 1.00 0.00 H new ATOM 0 HG3 GLU A 444 36.019 7.383 -20.520 1.00 0.00 H new ATOM 451 N ARG A 445 39.482 5.816 -16.837 1.00 0.00 N ATOM 452 CA ARG A 445 40.857 5.588 -16.436 1.00 0.00 C ATOM 453 C ARG A 445 41.773 5.483 -17.650 1.00 0.00 C ATOM 454 O ARG A 445 41.319 5.628 -18.788 1.00 0.00 O ATOM 455 CB ARG A 445 41.000 4.347 -15.535 1.00 0.00 C ATOM 456 CG ARG A 445 40.763 3.021 -16.233 1.00 0.00 C ATOM 457 CD ARG A 445 41.120 1.841 -15.328 1.00 0.00 C ATOM 458 NE ARG A 445 42.563 1.775 -15.050 1.00 0.00 N ATOM 459 CZ ARG A 445 43.494 1.397 -15.940 1.00 0.00 C ATOM 460 NH1 ARG A 445 43.139 1.015 -17.161 1.00 0.00 N ATOM 461 NH2 ARG A 445 44.775 1.384 -15.595 1.00 0.00 N ATOM 0 H ARG A 445 38.932 4.966 -16.961 1.00 0.00 H new ATOM 0 HA ARG A 445 41.164 6.453 -15.848 1.00 0.00 H new ATOM 0 HB2 ARG A 445 42.002 4.341 -15.106 1.00 0.00 H new ATOM 0 HB3 ARG A 445 40.298 4.435 -14.706 1.00 0.00 H new ATOM 0 HG2 ARG A 445 39.718 2.948 -16.533 1.00 0.00 H new ATOM 0 HG3 ARG A 445 41.360 2.976 -17.144 1.00 0.00 H new ATOM 0 HD2 ARG A 445 40.574 1.927 -14.389 1.00 0.00 H new ATOM 0 HD3 ARG A 445 40.799 0.912 -15.800 1.00 0.00 H new ATOM 0 HE ARG A 445 42.878 2.035 -14.115 1.00 0.00 H new ATOM 0 HH11 ARG A 445 42.154 1.008 -17.427 1.00 0.00 H new ATOM 0 HH12 ARG A 445 43.851 0.729 -17.833 1.00 0.00 H new ATOM 0 HH21 ARG A 445 45.052 1.661 -14.653 1.00 0.00 H new ATOM 0 HH22 ARG A 445 45.482 1.097 -16.271 1.00 0.00 H new ATOM 475 N ASP A 446 43.059 5.247 -17.366 1.00 0.00 N ATOM 476 CA ASP A 446 44.156 5.146 -18.352 1.00 0.00 C ATOM 477 C ASP A 446 43.690 4.723 -19.738 1.00 0.00 C ATOM 478 O ASP A 446 43.337 3.565 -19.969 1.00 0.00 O ATOM 479 CB ASP A 446 45.210 4.151 -17.843 1.00 0.00 C ATOM 480 CG ASP A 446 46.414 4.019 -18.757 1.00 0.00 C ATOM 481 OD1 ASP A 446 46.317 3.330 -19.794 1.00 0.00 O ATOM 482 OD2 ASP A 446 47.469 4.585 -18.433 1.00 0.00 O ATOM 0 H ASP A 446 43.383 5.115 -16.408 1.00 0.00 H new ATOM 0 HA ASP A 446 44.578 6.146 -18.454 1.00 0.00 H new ATOM 0 HB2 ASP A 446 45.547 4.466 -16.855 1.00 0.00 H new ATOM 0 HB3 ASP A 446 44.746 3.172 -17.724 1.00 0.00 H new ATOM 487 N GLY A 447 43.666 5.682 -20.638 1.00 0.00 N ATOM 488 CA GLY A 447 43.321 5.421 -22.012 1.00 0.00 C ATOM 489 C GLY A 447 44.393 5.951 -22.925 1.00 0.00 C ATOM 490 O GLY A 447 44.241 5.976 -24.148 1.00 0.00 O ATOM 0 H GLY A 447 43.884 6.658 -20.436 1.00 0.00 H new ATOM 0 HA2 GLY A 447 43.198 4.349 -22.167 1.00 0.00 H new ATOM 0 HA3 GLY A 447 42.366 5.889 -22.250 1.00 0.00 H new ATOM 494 N GLY A 448 45.491 6.365 -22.316 1.00 0.00 N ATOM 495 CA GLY A 448 46.597 6.914 -23.049 1.00 0.00 C ATOM 496 C GLY A 448 47.687 7.412 -22.129 1.00 0.00 C ATOM 497 O GLY A 448 48.874 7.283 -22.428 1.00 0.00 O ATOM 0 H GLY A 448 45.632 6.327 -21.306 1.00 0.00 H new ATOM 0 HA2 GLY A 448 47.004 6.154 -23.717 1.00 0.00 H new ATOM 0 HA3 GLY A 448 46.247 7.734 -23.675 1.00 0.00 H new ATOM 501 N CYS A 449 47.289 7.979 -21.002 1.00 0.00 N ATOM 502 CA CYS A 449 48.236 8.501 -20.041 1.00 0.00 C ATOM 503 C CYS A 449 47.770 8.258 -18.606 1.00 0.00 C ATOM 504 O CYS A 449 46.586 8.025 -18.357 1.00 0.00 O ATOM 505 CB CYS A 449 48.453 9.993 -20.276 1.00 0.00 C ATOM 506 SG CYS A 449 49.196 10.399 -21.876 1.00 0.00 S ATOM 0 H CYS A 449 46.311 8.088 -20.733 1.00 0.00 H new ATOM 0 HA CYS A 449 49.179 7.973 -20.180 1.00 0.00 H new ATOM 0 HB2 CYS A 449 47.494 10.504 -20.195 1.00 0.00 H new ATOM 0 HB3 CYS A 449 49.091 10.384 -19.483 1.00 0.00 H new ATOM 0 HG CYS A 449 49.364 9.310 -22.565 1.00 0.00 H new ATOM 512 N MET A 450 48.716 8.328 -17.673 1.00 0.00 N ATOM 513 CA MET A 450 48.445 8.128 -16.249 1.00 0.00 C ATOM 514 C MET A 450 47.730 9.346 -15.651 1.00 0.00 C ATOM 515 O MET A 450 47.080 9.252 -14.623 1.00 0.00 O ATOM 516 CB MET A 450 49.766 7.842 -15.506 1.00 0.00 C ATOM 517 CG MET A 450 49.609 7.613 -14.014 1.00 0.00 C ATOM 518 SD MET A 450 51.050 6.845 -13.246 1.00 0.00 S ATOM 519 CE MET A 450 52.223 8.184 -13.313 1.00 0.00 C ATOM 0 H MET A 450 49.695 8.525 -17.882 1.00 0.00 H new ATOM 0 HA MET A 450 47.783 7.270 -16.132 1.00 0.00 H new ATOM 0 HB2 MET A 450 50.235 6.963 -15.949 1.00 0.00 H new ATOM 0 HB3 MET A 450 50.446 8.679 -15.663 1.00 0.00 H new ATOM 0 HG2 MET A 450 49.414 8.568 -13.527 1.00 0.00 H new ATOM 0 HG3 MET A 450 48.736 6.983 -13.841 1.00 0.00 H new ATOM 0 HE1 MET A 450 52.736 8.267 -12.355 1.00 0.00 H new ATOM 0 HE2 MET A 450 52.952 7.990 -14.100 1.00 0.00 H new ATOM 0 HE3 MET A 450 51.699 9.116 -13.526 1.00 0.00 H new ATOM 529 N HIS A 451 47.836 10.468 -16.319 1.00 0.00 N ATOM 530 CA HIS A 451 47.207 11.702 -15.863 1.00 0.00 C ATOM 531 C HIS A 451 45.688 11.614 -16.067 1.00 0.00 C ATOM 532 O HIS A 451 45.198 11.725 -17.197 1.00 0.00 O ATOM 533 CB HIS A 451 47.789 12.890 -16.645 1.00 0.00 C ATOM 534 CG HIS A 451 47.487 14.245 -16.067 1.00 0.00 C ATOM 535 ND1 HIS A 451 48.481 15.022 -15.527 1.00 0.00 N ATOM 536 CD2 HIS A 451 46.316 14.929 -16.014 1.00 0.00 C ATOM 537 CE1 HIS A 451 47.900 16.154 -15.166 1.00 0.00 C ATOM 538 NE2 HIS A 451 46.590 16.144 -15.441 1.00 0.00 N ATOM 0 H HIS A 451 48.356 10.561 -17.191 1.00 0.00 H new ATOM 0 HA HIS A 451 47.407 11.847 -14.801 1.00 0.00 H new ATOM 0 HB2 HIS A 451 48.871 12.771 -16.704 1.00 0.00 H new ATOM 0 HB3 HIS A 451 47.408 12.855 -17.666 1.00 0.00 H new ATOM 0 HD2 HIS A 451 45.353 14.582 -16.358 1.00 0.00 H new ATOM 0 HE1 HIS A 451 48.418 16.983 -14.707 1.00 0.00 H new ATOM 0 HE2 HIS A 451 45.924 16.895 -15.259 1.00 0.00 H new ATOM 546 N MET A 452 44.950 11.391 -14.983 1.00 0.00 N ATOM 547 CA MET A 452 43.502 11.266 -15.072 1.00 0.00 C ATOM 548 C MET A 452 42.840 12.622 -14.886 1.00 0.00 C ATOM 549 O MET A 452 43.234 13.406 -14.018 1.00 0.00 O ATOM 550 CB MET A 452 42.962 10.266 -14.039 1.00 0.00 C ATOM 551 CG MET A 452 41.857 9.369 -14.590 1.00 0.00 C ATOM 552 SD MET A 452 40.933 8.486 -13.310 1.00 0.00 S ATOM 553 CE MET A 452 42.233 7.569 -12.499 1.00 0.00 C ATOM 0 H MET A 452 45.329 11.294 -14.041 1.00 0.00 H new ATOM 0 HA MET A 452 43.261 10.887 -16.065 1.00 0.00 H new ATOM 0 HB2 MET A 452 43.783 9.643 -13.683 1.00 0.00 H new ATOM 0 HB3 MET A 452 42.580 10.814 -13.178 1.00 0.00 H new ATOM 0 HG2 MET A 452 41.164 9.977 -15.172 1.00 0.00 H new ATOM 0 HG3 MET A 452 42.297 8.643 -15.274 1.00 0.00 H new ATOM 0 HE1 MET A 452 41.937 7.347 -11.474 1.00 0.00 H new ATOM 0 HE2 MET A 452 42.410 6.637 -13.036 1.00 0.00 H new ATOM 0 HE3 MET A 452 43.147 8.163 -12.492 1.00 0.00 H new ATOM 563 N VAL A 453 41.840 12.898 -15.702 1.00 0.00 N ATOM 564 CA VAL A 453 41.157 14.181 -15.669 1.00 0.00 C ATOM 565 C VAL A 453 39.663 13.993 -15.519 1.00 0.00 C ATOM 566 O VAL A 453 39.062 13.204 -16.250 1.00 0.00 O ATOM 567 CB VAL A 453 41.404 14.975 -16.969 1.00 0.00 C ATOM 568 CG1 VAL A 453 40.747 16.346 -16.900 1.00 0.00 C ATOM 569 CG2 VAL A 453 42.890 15.093 -17.264 1.00 0.00 C ATOM 0 H VAL A 453 41.480 12.248 -16.400 1.00 0.00 H new ATOM 0 HA VAL A 453 41.555 14.729 -14.815 1.00 0.00 H new ATOM 0 HB VAL A 453 40.946 14.425 -17.791 1.00 0.00 H new ATOM 0 HG11 VAL A 453 40.935 16.887 -17.828 1.00 0.00 H new ATOM 0 HG12 VAL A 453 39.672 16.228 -16.760 1.00 0.00 H new ATOM 0 HG13 VAL A 453 41.162 16.907 -16.063 1.00 0.00 H new ATOM 0 HG21 VAL A 453 43.034 15.657 -18.185 1.00 0.00 H new ATOM 0 HG22 VAL A 453 43.384 15.609 -16.441 1.00 0.00 H new ATOM 0 HG23 VAL A 453 43.319 14.097 -17.377 1.00 0.00 H new ATOM 579 N CYS A 454 39.065 14.718 -14.578 1.00 0.00 N ATOM 580 CA CYS A 454 37.632 14.687 -14.413 1.00 0.00 C ATOM 581 C CYS A 454 36.983 15.252 -15.659 1.00 0.00 C ATOM 582 O CYS A 454 37.275 16.381 -16.071 1.00 0.00 O ATOM 583 CB CYS A 454 37.201 15.489 -13.185 1.00 0.00 C ATOM 584 SG CYS A 454 35.404 15.514 -12.901 1.00 0.00 S ATOM 0 H CYS A 454 39.556 15.329 -13.925 1.00 0.00 H new ATOM 0 HA CYS A 454 37.315 13.655 -14.263 1.00 0.00 H new ATOM 0 HB2 CYS A 454 37.691 15.074 -12.304 1.00 0.00 H new ATOM 0 HB3 CYS A 454 37.554 16.514 -13.293 1.00 0.00 H new ATOM 0 HG CYS A 454 35.125 16.367 -11.960 1.00 0.00 H new ATOM 589 N THR A 455 36.130 14.477 -16.253 1.00 0.00 N ATOM 590 CA THR A 455 35.481 14.863 -17.478 1.00 0.00 C ATOM 591 C THR A 455 34.075 15.422 -17.216 1.00 0.00 C ATOM 592 O THR A 455 33.303 15.676 -18.148 1.00 0.00 O ATOM 593 CB THR A 455 35.475 13.672 -18.496 1.00 0.00 C ATOM 594 OG1 THR A 455 34.424 13.789 -19.466 1.00 0.00 O ATOM 595 CG2 THR A 455 35.382 12.342 -17.775 1.00 0.00 C ATOM 0 H THR A 455 35.860 13.557 -15.906 1.00 0.00 H new ATOM 0 HA THR A 455 36.052 15.673 -17.932 1.00 0.00 H new ATOM 0 HB THR A 455 36.422 13.715 -19.035 1.00 0.00 H new ATOM 0 HG1 THR A 455 34.005 14.672 -19.390 1.00 0.00 H new ATOM 0 HG21 THR A 455 35.380 11.532 -18.504 1.00 0.00 H new ATOM 0 HG22 THR A 455 36.238 12.228 -17.109 1.00 0.00 H new ATOM 0 HG23 THR A 455 34.462 12.308 -17.192 1.00 0.00 H new ATOM 603 N ARG A 456 33.760 15.660 -15.949 1.00 0.00 N ATOM 604 CA ARG A 456 32.475 16.231 -15.595 1.00 0.00 C ATOM 605 C ARG A 456 32.468 17.723 -15.885 1.00 0.00 C ATOM 606 O ARG A 456 33.424 18.435 -15.546 1.00 0.00 O ATOM 607 CB ARG A 456 32.161 16.002 -14.119 1.00 0.00 C ATOM 608 CG ARG A 456 30.863 16.658 -13.668 1.00 0.00 C ATOM 609 CD ARG A 456 30.772 16.718 -12.161 1.00 0.00 C ATOM 610 NE ARG A 456 29.602 17.467 -11.705 1.00 0.00 N ATOM 611 CZ ARG A 456 29.641 18.423 -10.772 1.00 0.00 C ATOM 612 NH1 ARG A 456 30.794 18.748 -10.188 1.00 0.00 N ATOM 613 NH2 ARG A 456 28.525 19.050 -10.420 1.00 0.00 N ATOM 0 H ARG A 456 34.374 15.467 -15.158 1.00 0.00 H new ATOM 0 HA ARG A 456 31.712 15.737 -16.196 1.00 0.00 H new ATOM 0 HB2 ARG A 456 32.103 14.930 -13.930 1.00 0.00 H new ATOM 0 HB3 ARG A 456 32.983 16.388 -13.516 1.00 0.00 H new ATOM 0 HG2 ARG A 456 30.801 17.666 -14.078 1.00 0.00 H new ATOM 0 HG3 ARG A 456 30.014 16.100 -14.064 1.00 0.00 H new ATOM 0 HD2 ARG A 456 30.730 15.705 -11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 456 31.675 17.181 -11.763 1.00 0.00 H new ATOM 0 HE ARG A 456 28.699 17.246 -12.125 1.00 0.00 H new ATOM 0 HH11 ARG A 456 31.653 18.266 -10.452 1.00 0.00 H new ATOM 0 HH12 ARG A 456 30.817 19.479 -9.477 1.00 0.00 H new ATOM 0 HH21 ARG A 456 27.640 18.802 -10.861 1.00 0.00 H new ATOM 0 HH22 ARG A 456 28.553 19.780 -9.708 1.00 0.00 H new ATOM 627 N ALA A 457 31.408 18.191 -16.516 1.00 0.00 N ATOM 628 CA ALA A 457 31.267 19.601 -16.811 1.00 0.00 C ATOM 629 C ALA A 457 31.113 20.383 -15.521 1.00 0.00 C ATOM 630 O ALA A 457 30.379 19.971 -14.620 1.00 0.00 O ATOM 631 CB ALA A 457 30.076 19.835 -17.720 1.00 0.00 C ATOM 0 H ALA A 457 30.631 17.612 -16.834 1.00 0.00 H new ATOM 0 HA ALA A 457 32.163 19.946 -17.327 1.00 0.00 H new ATOM 0 HB1 ALA A 457 29.984 20.900 -17.932 1.00 0.00 H new ATOM 0 HB2 ALA A 457 30.218 19.290 -18.653 1.00 0.00 H new ATOM 0 HB3 ALA A 457 29.169 19.483 -17.229 1.00 0.00 H new ATOM 637 N GLY A 458 31.819 21.486 -15.419 1.00 0.00 N ATOM 638 CA GLY A 458 31.761 22.284 -14.221 1.00 0.00 C ATOM 639 C GLY A 458 32.834 21.888 -13.233 1.00 0.00 C ATOM 640 O GLY A 458 33.097 22.606 -12.269 1.00 0.00 O ATOM 0 H GLY A 458 32.435 21.847 -16.147 1.00 0.00 H new ATOM 0 HA2 GLY A 458 31.875 23.337 -14.479 1.00 0.00 H new ATOM 0 HA3 GLY A 458 30.781 22.174 -13.757 1.00 0.00 H new ATOM 644 N CYS A 459 33.455 20.737 -13.469 1.00 0.00 N ATOM 645 CA CYS A 459 34.509 20.259 -12.607 1.00 0.00 C ATOM 646 C CYS A 459 35.853 20.436 -13.295 1.00 0.00 C ATOM 647 O CYS A 459 36.627 21.325 -12.930 1.00 0.00 O ATOM 648 CB CYS A 459 34.285 18.783 -12.243 1.00 0.00 C ATOM 649 SG CYS A 459 35.002 18.284 -10.639 1.00 0.00 S ATOM 0 H CYS A 459 33.240 20.123 -14.254 1.00 0.00 H new ATOM 0 HA CYS A 459 34.500 20.841 -11.685 1.00 0.00 H new ATOM 0 HB2 CYS A 459 33.213 18.584 -12.226 1.00 0.00 H new ATOM 0 HB3 CYS A 459 34.712 18.159 -13.028 1.00 0.00 H new ATOM 0 HG CYS A 459 34.405 17.211 -10.212 1.00 0.00 H new ATOM 654 N GLY A 460 36.114 19.598 -14.309 1.00 0.00 N ATOM 655 CA GLY A 460 37.376 19.661 -15.051 1.00 0.00 C ATOM 656 C GLY A 460 38.580 19.571 -14.137 1.00 0.00 C ATOM 657 O GLY A 460 39.632 20.167 -14.404 1.00 0.00 O ATOM 0 H GLY A 460 35.471 18.874 -14.630 1.00 0.00 H new ATOM 0 HA2 GLY A 460 37.410 18.848 -15.776 1.00 0.00 H new ATOM 0 HA3 GLY A 460 37.418 20.593 -15.615 1.00 0.00 H new ATOM 661 N PHE A 461 38.426 18.824 -13.066 1.00 0.00 N ATOM 662 CA PHE A 461 39.449 18.701 -12.057 1.00 0.00 C ATOM 663 C PHE A 461 40.490 17.660 -12.448 1.00 0.00 C ATOM 664 O PHE A 461 40.155 16.551 -12.845 1.00 0.00 O ATOM 665 CB PHE A 461 38.800 18.328 -10.723 1.00 0.00 C ATOM 666 CG PHE A 461 39.728 18.390 -9.552 1.00 0.00 C ATOM 667 CD1 PHE A 461 40.073 19.608 -8.995 1.00 0.00 C ATOM 668 CD2 PHE A 461 40.246 17.231 -8.996 1.00 0.00 C ATOM 669 CE1 PHE A 461 40.915 19.673 -7.910 1.00 0.00 C ATOM 670 CE2 PHE A 461 41.091 17.291 -7.912 1.00 0.00 C ATOM 671 CZ PHE A 461 41.427 18.513 -7.368 1.00 0.00 C ATOM 0 H PHE A 461 37.583 18.283 -12.872 1.00 0.00 H new ATOM 0 HA PHE A 461 39.961 19.658 -11.961 1.00 0.00 H new ATOM 0 HB2 PHE A 461 37.959 18.997 -10.541 1.00 0.00 H new ATOM 0 HB3 PHE A 461 38.395 17.319 -10.798 1.00 0.00 H new ATOM 0 HD1 PHE A 461 39.676 20.519 -9.418 1.00 0.00 H new ATOM 0 HD2 PHE A 461 39.984 16.272 -9.418 1.00 0.00 H new ATOM 0 HE1 PHE A 461 41.175 20.630 -7.483 1.00 0.00 H new ATOM 0 HE2 PHE A 461 41.491 16.382 -7.487 1.00 0.00 H new ATOM 0 HZ PHE A 461 42.091 18.561 -6.518 1.00 0.00 H new ATOM 681 N GLU A 462 41.746 18.029 -12.343 1.00 0.00 N ATOM 682 CA GLU A 462 42.828 17.116 -12.635 1.00 0.00 C ATOM 683 C GLU A 462 43.452 16.652 -11.337 1.00 0.00 C ATOM 684 O GLU A 462 43.700 17.455 -10.440 1.00 0.00 O ATOM 685 CB GLU A 462 43.868 17.784 -13.527 1.00 0.00 C ATOM 686 CG GLU A 462 43.316 18.210 -14.873 1.00 0.00 C ATOM 687 CD GLU A 462 44.300 19.009 -15.680 1.00 0.00 C ATOM 688 OE1 GLU A 462 45.281 18.429 -16.178 1.00 0.00 O ATOM 689 OE2 GLU A 462 44.089 20.229 -15.828 1.00 0.00 O ATOM 0 H GLU A 462 42.045 18.961 -12.056 1.00 0.00 H new ATOM 0 HA GLU A 462 42.436 16.252 -13.172 1.00 0.00 H new ATOM 0 HB2 GLU A 462 44.270 18.657 -13.014 1.00 0.00 H new ATOM 0 HB3 GLU A 462 44.699 17.096 -13.684 1.00 0.00 H new ATOM 0 HG2 GLU A 462 43.024 17.324 -15.438 1.00 0.00 H new ATOM 0 HG3 GLU A 462 42.414 18.802 -14.720 1.00 0.00 H new ATOM 696 N TRP A 463 43.680 15.365 -11.229 1.00 0.00 N ATOM 697 CA TRP A 463 44.220 14.787 -10.018 1.00 0.00 C ATOM 698 C TRP A 463 45.253 13.730 -10.338 1.00 0.00 C ATOM 699 O TRP A 463 45.220 13.121 -11.412 1.00 0.00 O ATOM 700 CB TRP A 463 43.091 14.223 -9.127 1.00 0.00 C ATOM 701 CG TRP A 463 41.973 13.525 -9.874 1.00 0.00 C ATOM 702 CD1 TRP A 463 41.054 14.105 -10.710 1.00 0.00 C ATOM 703 CD2 TRP A 463 41.630 12.134 -9.817 1.00 0.00 C ATOM 704 NE1 TRP A 463 40.183 13.162 -11.184 1.00 0.00 N ATOM 705 CE2 TRP A 463 40.509 11.946 -10.652 1.00 0.00 C ATOM 706 CE3 TRP A 463 42.162 11.028 -9.149 1.00 0.00 C ATOM 707 CZ2 TRP A 463 39.914 10.704 -10.833 1.00 0.00 C ATOM 708 CZ3 TRP A 463 41.566 9.794 -9.331 1.00 0.00 C ATOM 709 CH2 TRP A 463 40.454 9.642 -10.166 1.00 0.00 C ATOM 0 H TRP A 463 43.498 14.691 -11.972 1.00 0.00 H new ATOM 0 HA TRP A 463 44.720 15.576 -9.457 1.00 0.00 H new ATOM 0 HB2 TRP A 463 43.526 13.521 -8.416 1.00 0.00 H new ATOM 0 HB3 TRP A 463 42.664 15.041 -8.546 1.00 0.00 H new ATOM 0 HD1 TRP A 463 41.022 15.155 -10.959 1.00 0.00 H new ATOM 0 HE1 TRP A 463 39.414 13.338 -11.830 1.00 0.00 H new ATOM 0 HE3 TRP A 463 43.021 11.135 -8.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 39.056 10.583 -11.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 41.966 8.931 -8.819 1.00 0.00 H new ATOM 0 HH2 TRP A 463 40.013 8.663 -10.286 1.00 0.00 H new ATOM 720 N CYS A 464 46.180 13.514 -9.414 1.00 0.00 N ATOM 721 CA CYS A 464 47.240 12.573 -9.646 1.00 0.00 C ATOM 722 C CYS A 464 46.766 11.133 -9.474 1.00 0.00 C ATOM 723 O CYS A 464 46.214 10.749 -8.438 1.00 0.00 O ATOM 724 CB CYS A 464 48.469 12.889 -8.785 1.00 0.00 C ATOM 725 SG CYS A 464 48.167 13.016 -6.999 1.00 0.00 S ATOM 0 H CYS A 464 46.210 13.979 -8.507 1.00 0.00 H new ATOM 0 HA CYS A 464 47.548 12.676 -10.687 1.00 0.00 H new ATOM 0 HB2 CYS A 464 49.217 12.115 -8.954 1.00 0.00 H new ATOM 0 HB3 CYS A 464 48.900 13.829 -9.130 1.00 0.00 H new ATOM 0 HG CYS A 464 48.940 12.183 -6.368 1.00 0.00 H new ATOM 730 N TRP A 465 46.993 10.363 -10.517 1.00 0.00 N ATOM 731 CA TRP A 465 46.596 8.963 -10.617 1.00 0.00 C ATOM 732 C TRP A 465 46.953 8.148 -9.375 1.00 0.00 C ATOM 733 O TRP A 465 46.079 7.596 -8.709 1.00 0.00 O ATOM 734 CB TRP A 465 47.289 8.367 -11.840 1.00 0.00 C ATOM 735 CG TRP A 465 47.036 6.917 -12.073 1.00 0.00 C ATOM 736 CD1 TRP A 465 47.667 5.864 -11.476 1.00 0.00 C ATOM 737 CD2 TRP A 465 46.121 6.363 -13.004 1.00 0.00 C ATOM 738 NE1 TRP A 465 47.163 4.688 -11.956 1.00 0.00 N ATOM 739 CE2 TRP A 465 46.213 4.967 -12.901 1.00 0.00 C ATOM 740 CE3 TRP A 465 45.219 6.917 -13.908 1.00 0.00 C ATOM 741 CZ2 TRP A 465 45.438 4.118 -13.667 1.00 0.00 C ATOM 742 CZ3 TRP A 465 44.452 6.075 -14.670 1.00 0.00 C ATOM 743 CH2 TRP A 465 44.563 4.685 -14.544 1.00 0.00 C ATOM 0 H TRP A 465 47.475 10.700 -11.350 1.00 0.00 H new ATOM 0 HA TRP A 465 45.511 8.922 -10.708 1.00 0.00 H new ATOM 0 HB2 TRP A 465 46.971 8.921 -12.723 1.00 0.00 H new ATOM 0 HB3 TRP A 465 48.363 8.520 -11.738 1.00 0.00 H new ATOM 0 HD1 TRP A 465 48.448 5.948 -10.735 1.00 0.00 H new ATOM 0 HE1 TRP A 465 47.448 3.755 -11.659 1.00 0.00 H new ATOM 0 HE3 TRP A 465 45.126 7.988 -14.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 465 45.522 3.045 -13.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 465 43.751 6.490 -15.379 1.00 0.00 H new ATOM 0 HH2 TRP A 465 43.941 4.048 -15.156 1.00 0.00 H new ATOM 754 N VAL A 466 48.240 8.077 -9.090 1.00 0.00 N ATOM 755 CA VAL A 466 48.765 7.260 -7.996 1.00 0.00 C ATOM 756 C VAL A 466 48.104 7.570 -6.640 1.00 0.00 C ATOM 757 O VAL A 466 47.772 6.654 -5.888 1.00 0.00 O ATOM 758 CB VAL A 466 50.291 7.419 -7.872 1.00 0.00 C ATOM 759 CG1 VAL A 466 50.873 6.382 -6.932 1.00 0.00 C ATOM 760 CG2 VAL A 466 50.947 7.341 -9.242 1.00 0.00 C ATOM 0 H VAL A 466 48.958 8.583 -9.608 1.00 0.00 H new ATOM 0 HA VAL A 466 48.522 6.228 -8.251 1.00 0.00 H new ATOM 0 HB VAL A 466 50.497 8.402 -7.449 1.00 0.00 H new ATOM 0 HG11 VAL A 466 51.952 6.518 -6.863 1.00 0.00 H new ATOM 0 HG12 VAL A 466 50.429 6.497 -5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 466 50.657 5.384 -7.313 1.00 0.00 H new ATOM 0 HG21 VAL A 466 52.026 7.455 -9.136 1.00 0.00 H new ATOM 0 HG22 VAL A 466 50.727 6.375 -9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 466 50.559 8.137 -9.877 1.00 0.00 H new ATOM 770 N CYS A 467 47.911 8.847 -6.333 1.00 0.00 N ATOM 771 CA CYS A 467 47.307 9.220 -5.060 1.00 0.00 C ATOM 772 C CYS A 467 45.787 9.049 -5.086 1.00 0.00 C ATOM 773 O CYS A 467 45.161 8.883 -4.036 1.00 0.00 O ATOM 774 CB CYS A 467 47.687 10.651 -4.676 1.00 0.00 C ATOM 775 SG CYS A 467 49.479 10.900 -4.413 1.00 0.00 S ATOM 0 H CYS A 467 48.159 9.631 -6.937 1.00 0.00 H new ATOM 0 HA CYS A 467 47.700 8.545 -4.300 1.00 0.00 H new ATOM 0 HB2 CYS A 467 47.348 11.329 -5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 467 47.155 10.925 -3.765 1.00 0.00 H new ATOM 0 HG CYS A 467 50.090 10.898 -5.560 1.00 0.00 H new ATOM 780 N GLN A 468 45.200 9.117 -6.287 1.00 0.00 N ATOM 781 CA GLN A 468 43.750 8.926 -6.480 1.00 0.00 C ATOM 782 C GLN A 468 42.949 10.006 -5.729 1.00 0.00 C ATOM 783 O GLN A 468 41.751 9.863 -5.471 1.00 0.00 O ATOM 784 CB GLN A 468 43.332 7.511 -6.023 1.00 0.00 C ATOM 785 CG GLN A 468 41.914 7.109 -6.417 1.00 0.00 C ATOM 786 CD GLN A 468 41.507 5.770 -5.841 1.00 0.00 C ATOM 787 OE1 GLN A 468 41.699 4.723 -6.465 1.00 0.00 O ATOM 788 NE2 GLN A 468 40.944 5.791 -4.649 1.00 0.00 N ATOM 0 H GLN A 468 45.710 9.305 -7.150 1.00 0.00 H new ATOM 0 HA GLN A 468 43.527 9.025 -7.542 1.00 0.00 H new ATOM 0 HB2 GLN A 468 44.031 6.787 -6.442 1.00 0.00 H new ATOM 0 HB3 GLN A 468 43.424 7.452 -4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 468 41.216 7.874 -6.077 1.00 0.00 H new ATOM 0 HG3 GLN A 468 41.840 7.070 -7.504 1.00 0.00 H new ATOM 0 HE21 GLN A 468 40.804 6.679 -4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 468 40.649 4.919 -4.209 1.00 0.00 H new ATOM 797 N THR A 469 43.618 11.089 -5.407 1.00 0.00 N ATOM 798 CA THR A 469 43.016 12.180 -4.676 1.00 0.00 C ATOM 799 C THR A 469 43.499 13.489 -5.288 1.00 0.00 C ATOM 800 O THR A 469 44.307 13.464 -6.214 1.00 0.00 O ATOM 801 CB THR A 469 43.427 12.114 -3.179 1.00 0.00 C ATOM 802 OG1 THR A 469 43.458 10.742 -2.753 1.00 0.00 O ATOM 803 CG2 THR A 469 42.441 12.877 -2.300 1.00 0.00 C ATOM 0 H THR A 469 44.598 11.239 -5.646 1.00 0.00 H new ATOM 0 HA THR A 469 41.930 12.113 -4.737 1.00 0.00 H new ATOM 0 HB THR A 469 44.412 12.570 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 469 44.204 10.281 -3.190 1.00 0.00 H new ATOM 0 HG21 THR A 469 42.756 12.812 -1.259 1.00 0.00 H new ATOM 0 HG22 THR A 469 42.414 13.923 -2.606 1.00 0.00 H new ATOM 0 HG23 THR A 469 41.447 12.442 -2.406 1.00 0.00 H new ATOM 811 N GLU A 470 42.995 14.625 -4.802 1.00 0.00 N ATOM 812 CA GLU A 470 43.455 15.909 -5.297 1.00 0.00 C ATOM 813 C GLU A 470 44.955 16.021 -5.109 1.00 0.00 C ATOM 814 O GLU A 470 45.483 15.748 -4.026 1.00 0.00 O ATOM 815 CB GLU A 470 42.737 17.064 -4.600 1.00 0.00 C ATOM 816 CG GLU A 470 42.850 17.043 -3.097 1.00 0.00 C ATOM 817 CD GLU A 470 42.067 18.158 -2.446 1.00 0.00 C ATOM 818 OE1 GLU A 470 40.827 18.137 -2.518 1.00 0.00 O ATOM 819 OE2 GLU A 470 42.690 19.061 -1.852 1.00 0.00 O ATOM 0 H GLU A 470 42.279 14.676 -4.077 1.00 0.00 H new ATOM 0 HA GLU A 470 43.221 15.973 -6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 470 43.142 18.006 -4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 470 41.682 17.040 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 470 42.492 16.084 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 470 43.899 17.125 -2.813 1.00 0.00 H new ATOM 826 N TRP A 471 45.628 16.392 -6.163 1.00 0.00 N ATOM 827 CA TRP A 471 47.067 16.471 -6.151 1.00 0.00 C ATOM 828 C TRP A 471 47.553 17.510 -5.145 1.00 0.00 C ATOM 829 O TRP A 471 47.070 18.644 -5.114 1.00 0.00 O ATOM 830 CB TRP A 471 47.625 16.732 -7.577 1.00 0.00 C ATOM 831 CG TRP A 471 47.639 18.178 -8.041 1.00 0.00 C ATOM 832 CD1 TRP A 471 48.744 18.895 -8.395 1.00 0.00 C ATOM 833 CD2 TRP A 471 46.518 19.069 -8.211 1.00 0.00 C ATOM 834 NE1 TRP A 471 48.389 20.166 -8.769 1.00 0.00 N ATOM 835 CE2 TRP A 471 47.035 20.301 -8.664 1.00 0.00 C ATOM 836 CE3 TRP A 471 45.138 18.953 -8.024 1.00 0.00 C ATOM 837 CZ2 TRP A 471 46.222 21.398 -8.931 1.00 0.00 C ATOM 838 CZ3 TRP A 471 44.337 20.047 -8.291 1.00 0.00 C ATOM 839 CH2 TRP A 471 44.880 21.252 -8.740 1.00 0.00 C ATOM 0 H TRP A 471 45.199 16.648 -7.052 1.00 0.00 H new ATOM 0 HA TRP A 471 47.457 15.506 -5.827 1.00 0.00 H new ATOM 0 HB2 TRP A 471 48.645 16.349 -7.621 1.00 0.00 H new ATOM 0 HB3 TRP A 471 47.036 16.151 -8.286 1.00 0.00 H new ATOM 0 HD1 TRP A 471 49.755 18.516 -8.383 1.00 0.00 H new ATOM 0 HE1 TRP A 471 49.034 20.894 -9.076 1.00 0.00 H new ATOM 0 HE3 TRP A 471 44.706 18.026 -7.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 471 46.639 22.332 -9.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 471 43.269 19.968 -8.149 1.00 0.00 H new ATOM 0 HH2 TRP A 471 44.224 22.086 -8.940 1.00 0.00 H new ATOM 850 N THR A 472 48.491 17.108 -4.305 1.00 0.00 N ATOM 851 CA THR A 472 49.049 17.990 -3.294 1.00 0.00 C ATOM 852 C THR A 472 50.038 18.967 -3.941 1.00 0.00 C ATOM 853 O THR A 472 50.607 19.838 -3.282 1.00 0.00 O ATOM 854 CB THR A 472 49.771 17.162 -2.204 1.00 0.00 C ATOM 855 OG1 THR A 472 48.967 16.024 -1.860 1.00 0.00 O ATOM 856 CG2 THR A 472 50.013 17.994 -0.951 1.00 0.00 C ATOM 0 H THR A 472 48.885 16.167 -4.304 1.00 0.00 H new ATOM 0 HA THR A 472 48.238 18.553 -2.833 1.00 0.00 H new ATOM 0 HB THR A 472 50.734 16.842 -2.601 1.00 0.00 H new ATOM 0 HG1 THR A 472 49.423 15.497 -1.171 1.00 0.00 H new ATOM 0 HG21 THR A 472 50.522 17.386 -0.203 1.00 0.00 H new ATOM 0 HG22 THR A 472 50.632 18.856 -1.200 1.00 0.00 H new ATOM 0 HG23 THR A 472 49.058 18.337 -0.552 1.00 0.00 H new ATOM 864 N ARG A 473 50.235 18.785 -5.251 1.00 0.00 N ATOM 865 CA ARG A 473 51.144 19.593 -6.069 1.00 0.00 C ATOM 866 C ARG A 473 52.603 19.224 -5.801 1.00 0.00 C ATOM 867 O ARG A 473 53.446 19.330 -6.678 1.00 0.00 O ATOM 868 CB ARG A 473 50.888 21.100 -5.899 1.00 0.00 C ATOM 869 CG ARG A 473 51.627 21.956 -6.909 1.00 0.00 C ATOM 870 CD ARG A 473 51.139 23.393 -6.895 1.00 0.00 C ATOM 871 NE ARG A 473 51.780 24.183 -7.949 1.00 0.00 N ATOM 872 CZ ARG A 473 51.121 24.893 -8.874 1.00 0.00 C ATOM 873 NH1 ARG A 473 49.792 24.941 -8.870 1.00 0.00 N ATOM 874 NH2 ARG A 473 51.797 25.557 -9.799 1.00 0.00 N ATOM 0 H ARG A 473 49.757 18.057 -5.782 1.00 0.00 H new ATOM 0 HA ARG A 473 50.936 19.361 -7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 473 49.818 21.291 -5.986 1.00 0.00 H new ATOM 0 HB3 ARG A 473 51.185 21.400 -4.894 1.00 0.00 H new ATOM 0 HG2 ARG A 473 52.695 21.933 -6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 473 51.495 21.537 -7.907 1.00 0.00 H new ATOM 0 HD2 ARG A 473 50.057 23.413 -7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 473 51.348 23.841 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 473 52.799 24.193 -7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 473 49.266 24.434 -8.158 1.00 0.00 H new ATOM 0 HH12 ARG A 473 49.299 25.484 -9.579 1.00 0.00 H new ATOM 0 HH21 ARG A 473 52.817 25.527 -9.806 1.00 0.00 H new ATOM 0 HH22 ARG A 473 51.298 26.099 -10.505 1.00 0.00 H new ATOM 888 N ASP A 474 52.886 18.762 -4.593 1.00 0.00 N ATOM 889 CA ASP A 474 54.219 18.281 -4.247 1.00 0.00 C ATOM 890 C ASP A 474 54.572 17.079 -5.102 1.00 0.00 C ATOM 891 O ASP A 474 55.736 16.853 -5.430 1.00 0.00 O ATOM 892 CB ASP A 474 54.290 17.887 -2.767 1.00 0.00 C ATOM 893 CG ASP A 474 54.408 19.073 -1.844 1.00 0.00 C ATOM 894 OD1 ASP A 474 55.548 19.485 -1.548 1.00 0.00 O ATOM 895 OD2 ASP A 474 53.365 19.603 -1.407 1.00 0.00 O ATOM 0 H ASP A 474 52.209 18.709 -3.832 1.00 0.00 H new ATOM 0 HA ASP A 474 54.930 19.087 -4.431 1.00 0.00 H new ATOM 0 HB2 ASP A 474 53.398 17.318 -2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 474 55.145 17.228 -2.613 1.00 0.00 H new ATOM 900 N CYS A 475 53.548 16.321 -5.467 1.00 0.00 N ATOM 901 CA CYS A 475 53.708 15.124 -6.261 1.00 0.00 C ATOM 902 C CYS A 475 53.375 15.364 -7.739 1.00 0.00 C ATOM 903 O CYS A 475 53.204 14.413 -8.511 1.00 0.00 O ATOM 904 CB CYS A 475 52.840 14.020 -5.678 1.00 0.00 C ATOM 905 SG CYS A 475 51.093 14.489 -5.403 1.00 0.00 S ATOM 0 H CYS A 475 52.581 16.525 -5.217 1.00 0.00 H new ATOM 0 HA CYS A 475 54.755 14.823 -6.225 1.00 0.00 H new ATOM 0 HB2 CYS A 475 52.871 13.160 -6.347 1.00 0.00 H new ATOM 0 HB3 CYS A 475 53.270 13.701 -4.729 1.00 0.00 H new ATOM 0 HG CYS A 475 50.315 13.632 -5.995 1.00 0.00 H new ATOM 910 N MET A 476 53.302 16.631 -8.139 1.00 0.00 N ATOM 911 CA MET A 476 53.010 16.957 -9.529 1.00 0.00 C ATOM 912 C MET A 476 54.209 16.610 -10.397 1.00 0.00 C ATOM 913 O MET A 476 55.347 16.590 -9.920 1.00 0.00 O ATOM 914 CB MET A 476 52.639 18.442 -9.702 1.00 0.00 C ATOM 915 CG MET A 476 53.822 19.397 -9.648 1.00 0.00 C ATOM 916 SD MET A 476 53.337 21.126 -9.849 1.00 0.00 S ATOM 917 CE MET A 476 52.660 21.111 -11.509 1.00 0.00 C ATOM 0 H MET A 476 53.439 17.437 -7.529 1.00 0.00 H new ATOM 0 HA MET A 476 52.148 16.367 -9.841 1.00 0.00 H new ATOM 0 HB2 MET A 476 52.130 18.568 -10.658 1.00 0.00 H new ATOM 0 HB3 MET A 476 51.928 18.719 -8.923 1.00 0.00 H new ATOM 0 HG2 MET A 476 54.336 19.277 -8.694 1.00 0.00 H new ATOM 0 HG3 MET A 476 54.534 19.131 -10.430 1.00 0.00 H new ATOM 0 HE1 MET A 476 52.633 22.128 -11.900 1.00 0.00 H new ATOM 0 HE2 MET A 476 53.286 20.492 -12.152 1.00 0.00 H new ATOM 0 HE3 MET A 476 51.649 20.704 -11.486 1.00 0.00 H new ATOM 927 N GLY A 477 53.961 16.319 -11.652 1.00 0.00 N ATOM 928 CA GLY A 477 55.034 15.950 -12.547 1.00 0.00 C ATOM 929 C GLY A 477 55.359 14.477 -12.457 1.00 0.00 C ATOM 930 O GLY A 477 55.524 13.807 -13.469 1.00 0.00 O ATOM 0 H GLY A 477 53.033 16.330 -12.075 1.00 0.00 H new ATOM 0 HA2 GLY A 477 54.755 16.199 -13.571 1.00 0.00 H new ATOM 0 HA3 GLY A 477 55.923 16.534 -12.308 1.00 0.00 H new ATOM 934 N ALA A 478 55.433 13.971 -11.236 1.00 0.00 N ATOM 935 CA ALA A 478 55.736 12.570 -10.999 1.00 0.00 C ATOM 936 C ALA A 478 54.559 11.684 -11.384 1.00 0.00 C ATOM 937 O ALA A 478 54.731 10.649 -12.026 1.00 0.00 O ATOM 938 CB ALA A 478 56.109 12.351 -9.539 1.00 0.00 C ATOM 0 H ALA A 478 55.286 14.517 -10.387 1.00 0.00 H new ATOM 0 HA ALA A 478 56.585 12.295 -11.625 1.00 0.00 H new ATOM 0 HB1 ALA A 478 56.334 11.297 -9.375 1.00 0.00 H new ATOM 0 HB2 ALA A 478 56.985 12.951 -9.293 1.00 0.00 H new ATOM 0 HB3 ALA A 478 55.276 12.648 -8.902 1.00 0.00 H new ATOM 944 N HIS A 479 53.360 12.097 -11.000 1.00 0.00 N ATOM 945 CA HIS A 479 52.160 11.319 -11.298 1.00 0.00 C ATOM 946 C HIS A 479 51.537 11.741 -12.619 1.00 0.00 C ATOM 947 O HIS A 479 50.489 11.225 -13.006 1.00 0.00 O ATOM 948 CB HIS A 479 51.115 11.489 -10.212 1.00 0.00 C ATOM 949 CG HIS A 479 51.569 11.193 -8.821 1.00 0.00 C ATOM 950 ND1 HIS A 479 52.131 10.013 -8.419 1.00 0.00 N ATOM 951 CD2 HIS A 479 51.469 11.947 -7.717 1.00 0.00 C ATOM 952 CE1 HIS A 479 52.332 10.081 -7.100 1.00 0.00 C ATOM 953 NE2 HIS A 479 51.941 11.246 -6.624 1.00 0.00 N ATOM 0 H HIS A 479 53.189 12.960 -10.484 1.00 0.00 H new ATOM 0 HA HIS A 479 52.473 10.277 -11.356 1.00 0.00 H new ATOM 0 HB2 HIS A 479 50.749 12.515 -10.244 1.00 0.00 H new ATOM 0 HB3 HIS A 479 50.269 10.842 -10.443 1.00 0.00 H new ATOM 0 HD2 HIS A 479 51.078 12.953 -7.687 1.00 0.00 H new ATOM 0 HE1 HIS A 479 52.758 9.288 -6.504 1.00 0.00 H new ATOM 0 HE2 HIS A 479 51.979 11.563 -5.655 1.00 0.00 H new ATOM 961 N TRP A 480 52.166 12.686 -13.291 1.00 0.00 N ATOM 962 CA TRP A 480 51.654 13.199 -14.554 1.00 0.00 C ATOM 963 C TRP A 480 51.914 12.209 -15.690 1.00 0.00 C ATOM 964 O TRP A 480 52.198 11.033 -15.450 1.00 0.00 O ATOM 965 CB TRP A 480 52.304 14.546 -14.885 1.00 0.00 C ATOM 966 CG TRP A 480 51.800 15.744 -14.102 1.00 0.00 C ATOM 967 CD1 TRP A 480 52.181 17.038 -14.314 1.00 0.00 C ATOM 968 CD2 TRP A 480 50.834 15.789 -13.012 1.00 0.00 C ATOM 969 NE1 TRP A 480 51.544 17.874 -13.439 1.00 0.00 N ATOM 970 CE2 TRP A 480 50.713 17.145 -12.635 1.00 0.00 C ATOM 971 CE3 TRP A 480 50.062 14.834 -12.314 1.00 0.00 C ATOM 972 CZ2 TRP A 480 49.871 17.566 -11.615 1.00 0.00 C ATOM 973 CZ3 TRP A 480 49.230 15.267 -11.307 1.00 0.00 C ATOM 974 CH2 TRP A 480 49.139 16.617 -10.967 1.00 0.00 C ATOM 0 H TRP A 480 53.037 13.118 -12.984 1.00 0.00 H new ATOM 0 HA TRP A 480 50.578 13.336 -14.450 1.00 0.00 H new ATOM 0 HB2 TRP A 480 53.378 14.457 -14.722 1.00 0.00 H new ATOM 0 HB3 TRP A 480 52.158 14.745 -15.947 1.00 0.00 H new ATOM 0 HD1 TRP A 480 52.886 17.357 -15.067 1.00 0.00 H new ATOM 0 HE1 TRP A 480 51.670 18.885 -13.393 1.00 0.00 H new ATOM 0 HE3 TRP A 480 50.123 13.785 -12.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 480 49.799 18.609 -11.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 480 48.634 14.546 -10.768 1.00 0.00 H new ATOM 0 HH2 TRP A 480 48.473 16.917 -10.172 1.00 0.00 H new ATOM 985 N PHE A 481 51.809 12.701 -16.921 1.00 0.00 N ATOM 986 CA PHE A 481 52.039 11.896 -18.116 1.00 0.00 C ATOM 987 C PHE A 481 53.386 11.176 -18.028 1.00 0.00 C ATOM 988 O PHE A 481 54.440 11.817 -17.969 1.00 0.00 O ATOM 989 CB PHE A 481 52.020 12.796 -19.365 1.00 0.00 C ATOM 990 CG PHE A 481 50.819 13.706 -19.457 1.00 0.00 C ATOM 991 CD1 PHE A 481 50.843 14.971 -18.882 1.00 0.00 C ATOM 992 CD2 PHE A 481 49.674 13.303 -20.120 1.00 0.00 C ATOM 993 CE1 PHE A 481 49.747 15.809 -18.970 1.00 0.00 C ATOM 994 CE2 PHE A 481 48.575 14.136 -20.210 1.00 0.00 C ATOM 995 CZ PHE A 481 48.612 15.392 -19.634 1.00 0.00 C ATOM 0 H PHE A 481 51.562 13.671 -17.118 1.00 0.00 H new ATOM 0 HA PHE A 481 51.245 11.152 -18.189 1.00 0.00 H new ATOM 0 HB2 PHE A 481 52.924 13.405 -19.373 1.00 0.00 H new ATOM 0 HB3 PHE A 481 52.052 12.165 -20.253 1.00 0.00 H new ATOM 0 HD1 PHE A 481 51.728 15.303 -18.360 1.00 0.00 H new ATOM 0 HD2 PHE A 481 49.638 12.324 -20.574 1.00 0.00 H new ATOM 0 HE1 PHE A 481 49.779 16.790 -18.519 1.00 0.00 H new ATOM 0 HE2 PHE A 481 47.688 13.806 -20.730 1.00 0.00 H new ATOM 0 HZ PHE A 481 47.755 16.045 -19.704 1.00 0.00 H new ATOM 1005 N GLY A 482 53.343 9.860 -17.986 1.00 0.00 N ATOM 1006 CA GLY A 482 54.550 9.079 -17.906 1.00 0.00 C ATOM 1007 C GLY A 482 54.285 7.673 -17.425 1.00 0.00 C ATOM 1008 O GLY A 482 53.177 7.154 -17.673 1.00 0.00 O ATOM 1009 OXT GLY A 482 55.188 7.073 -16.806 1.00 0.00 O ATOM 0 H GLY A 482 52.482 9.313 -18.006 1.00 0.00 H new ATOM 0 HA2 GLY A 482 55.024 9.043 -18.887 1.00 0.00 H new ATOM 0 HA3 GLY A 482 55.253 9.567 -17.230 1.00 0.00 H new