USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 667 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 417 SER OG : rot -81:sc= 0.767 USER MOD Set 1.2: A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 416 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 ASN : amide:sc= -0.131 K(o=-0.13,f=-3.6) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 441 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 THR OG1 : rot -53:sc= -0.319 USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot -33:sc= 0.086 USER MOD Single : A 449 GLN :FLIP amide:sc= -1.39 F(o=-2.9!,f=-1.4) USER MOD Single : A 452 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 457 THR OG1 : rot 88:sc= 0.187 USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 SER OG : rot 180:sc= 0 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 471 ASN : amide:sc= -2.48 X(o=-2.5,f=-2.1) USER MOD Single : A 472 GLN :FLIP amide:sc= -0.0928 F(o=-0.75,f=-0.093) USER MOD Single : A 474 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.044) USER MOD Single : A 475 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.071) USER MOD Single : A 479 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 480 SER OG : rot 180:sc= 0 USER MOD Single : A 481 SER OG : rot 180:sc= 0 USER MOD Single : A 482 SER OG : rot 180:sc= 0 USER MOD Single : A 485 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 492 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.035) USER MOD Single : A 493 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.048) USER MOD Single : A 494 HIS : no HD1:sc= -0.208 K(o=-0.21,f=-0.91) USER MOD Single : A 495 HIS : no HD1:sc= -0.0303 X(o=-0.03,f=-0.0036) USER MOD Single : A 496 HIS : no HD1:sc= -0.0862 X(o=-0.086,f=-0.53) USER MOD Single : A 497 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 414 -18.189 1.030 -8.796 1.00 62.11 N ATOM 2 CA GLU A 414 -17.882 1.206 -7.381 1.00 73.11 C ATOM 3 C GLU A 414 -16.893 2.351 -7.177 1.00 54.33 C ATOM 4 O GLU A 414 -15.737 2.265 -7.587 1.00 3.52 O ATOM 5 CB GLU A 414 -17.310 -0.088 -6.796 1.00 4.41 C ATOM 6 CG GLU A 414 -18.229 -0.758 -5.789 1.00 23.24 C ATOM 7 CD GLU A 414 -18.786 -2.074 -6.293 1.00 23.40 C ATOM 8 OE1 GLU A 414 -19.066 -2.174 -7.506 1.00 12.31 O ATOM 9 OE2 GLU A 414 -18.941 -3.006 -5.476 1.00 14.44 O ATOM 0 HA GLU A 414 -18.808 1.453 -6.862 1.00 73.11 H new ATOM 0 HB2 GLU A 414 -17.105 -0.785 -7.609 1.00 4.41 H new ATOM 0 HB3 GLU A 414 -16.356 0.131 -6.316 1.00 4.41 H new ATOM 0 HG2 GLU A 414 -17.682 -0.931 -4.862 1.00 23.24 H new ATOM 0 HG3 GLU A 414 -19.054 -0.086 -5.552 1.00 23.24 H new ATOM 16 N ALA A 415 -17.360 3.420 -6.541 1.00 31.43 N ATOM 17 CA ALA A 415 -16.517 4.581 -6.281 1.00 11.11 C ATOM 18 C ALA A 415 -15.567 4.320 -5.117 1.00 45.21 C ATOM 19 O ALA A 415 -14.704 5.143 -4.811 1.00 53.31 O ATOM 20 CB ALA A 415 -17.378 5.804 -5.998 1.00 25.35 C ATOM 0 H ALA A 415 -18.316 3.507 -6.197 1.00 31.43 H new ATOM 0 HA ALA A 415 -15.916 4.770 -7.171 1.00 11.11 H new ATOM 0 HB1 ALA A 415 -16.736 6.664 -5.805 1.00 25.35 H new ATOM 0 HB2 ALA A 415 -18.012 6.010 -6.860 1.00 25.35 H new ATOM 0 HB3 ALA A 415 -18.003 5.615 -5.125 1.00 25.35 H new ATOM 26 N SER A 416 -15.731 3.170 -4.472 1.00 25.20 N ATOM 27 CA SER A 416 -14.889 2.802 -3.339 1.00 12.52 C ATOM 28 C SER A 416 -13.588 2.162 -3.814 1.00 55.21 C ATOM 29 O SER A 416 -12.591 2.146 -3.092 1.00 32.11 O ATOM 30 CB SER A 416 -15.636 1.841 -2.413 1.00 10.44 C ATOM 31 OG SER A 416 -17.034 1.901 -2.636 1.00 71.45 O ATOM 0 H SER A 416 -16.439 2.477 -4.714 1.00 25.20 H new ATOM 0 HA SER A 416 -14.646 3.710 -2.788 1.00 12.52 H new ATOM 0 HB2 SER A 416 -15.282 0.823 -2.578 1.00 10.44 H new ATOM 0 HB3 SER A 416 -15.419 2.090 -1.374 1.00 10.44 H new ATOM 0 HG SER A 416 -17.489 1.276 -2.033 1.00 71.45 H new ATOM 37 N SER A 417 -13.607 1.632 -5.033 1.00 14.24 N ATOM 38 CA SER A 417 -12.431 0.987 -5.604 1.00 32.42 C ATOM 39 C SER A 417 -11.298 1.990 -5.793 1.00 31.00 C ATOM 40 O SER A 417 -10.121 1.626 -5.781 1.00 12.02 O ATOM 41 CB SER A 417 -12.781 0.336 -6.944 1.00 5.31 C ATOM 42 OG SER A 417 -13.021 1.317 -7.939 1.00 32.24 O ATOM 0 H SER A 417 -14.424 1.637 -5.644 1.00 14.24 H new ATOM 0 HA SER A 417 -12.097 0.216 -4.910 1.00 32.42 H new ATOM 0 HB2 SER A 417 -11.966 -0.315 -7.260 1.00 5.31 H new ATOM 0 HB3 SER A 417 -13.664 -0.292 -6.827 1.00 5.31 H new ATOM 0 HG SER A 417 -13.935 1.658 -7.848 1.00 32.24 H new ATOM 48 N THR A 418 -11.661 3.257 -5.968 1.00 21.54 N ATOM 49 CA THR A 418 -10.676 4.314 -6.160 1.00 63.13 C ATOM 50 C THR A 418 -10.144 4.820 -4.823 1.00 45.55 C ATOM 51 O THR A 418 -9.059 5.397 -4.756 1.00 72.30 O ATOM 52 CB THR A 418 -11.270 5.499 -6.945 1.00 64.32 C ATOM 53 OG1 THR A 418 -12.213 5.023 -7.911 1.00 60.34 O ATOM 54 CG2 THR A 418 -10.173 6.288 -7.645 1.00 52.43 C ATOM 0 H THR A 418 -12.630 3.576 -5.981 1.00 21.54 H new ATOM 0 HA THR A 418 -9.856 3.882 -6.734 1.00 63.13 H new ATOM 0 HB THR A 418 -11.776 6.158 -6.239 1.00 64.32 H new ATOM 0 HG1 THR A 418 -12.587 5.782 -8.405 1.00 60.34 H new ATOM 0 HG21 THR A 418 -10.616 7.120 -8.193 1.00 52.43 H new ATOM 0 HG22 THR A 418 -9.473 6.674 -6.904 1.00 52.43 H new ATOM 0 HG23 THR A 418 -9.643 5.637 -8.340 1.00 52.43 H new ATOM 62 N ALA A 419 -10.914 4.600 -3.764 1.00 74.15 N ATOM 63 CA ALA A 419 -10.518 5.031 -2.429 1.00 32.50 C ATOM 64 C ALA A 419 -9.155 4.462 -2.049 1.00 45.43 C ATOM 65 O ALA A 419 -8.398 5.084 -1.303 1.00 2.50 O ATOM 66 CB ALA A 419 -11.568 4.616 -1.408 1.00 65.41 C ATOM 0 H ALA A 419 -11.816 4.126 -3.804 1.00 74.15 H new ATOM 0 HA ALA A 419 -10.440 6.118 -2.434 1.00 32.50 H new ATOM 0 HB1 ALA A 419 -11.260 4.944 -0.415 1.00 65.41 H new ATOM 0 HB2 ALA A 419 -12.523 5.075 -1.662 1.00 65.41 H new ATOM 0 HB3 ALA A 419 -11.674 3.531 -1.415 1.00 65.41 H new ATOM 72 N ILE A 420 -8.848 3.278 -2.568 1.00 74.11 N ATOM 73 CA ILE A 420 -7.575 2.626 -2.283 1.00 0.44 C ATOM 74 C ILE A 420 -6.431 3.311 -3.023 1.00 33.24 C ATOM 75 O ILE A 420 -5.272 3.215 -2.617 1.00 43.24 O ATOM 76 CB ILE A 420 -7.606 1.137 -2.673 1.00 43.03 C ATOM 77 CG1 ILE A 420 -8.705 0.406 -1.899 1.00 24.20 C ATOM 78 CG2 ILE A 420 -6.251 0.494 -2.415 1.00 74.12 C ATOM 79 CD1 ILE A 420 -10.045 0.414 -2.600 1.00 21.23 C ATOM 0 H ILE A 420 -9.463 2.751 -3.188 1.00 74.11 H new ATOM 0 HA ILE A 420 -7.411 2.708 -1.209 1.00 0.44 H new ATOM 0 HB ILE A 420 -7.826 1.060 -3.738 1.00 43.03 H new ATOM 0 HG12 ILE A 420 -8.397 -0.626 -1.734 1.00 24.20 H new ATOM 0 HG13 ILE A 420 -8.815 0.867 -0.917 1.00 24.20 H new ATOM 0 HG21 ILE A 420 -6.288 -0.559 -2.696 1.00 74.12 H new ATOM 0 HG22 ILE A 420 -5.489 1.001 -3.008 1.00 74.12 H new ATOM 0 HG23 ILE A 420 -6.004 0.579 -1.357 1.00 74.12 H new ATOM 0 HD11 ILE A 420 -10.776 -0.122 -1.994 1.00 21.23 H new ATOM 0 HD12 ILE A 420 -10.376 1.443 -2.741 1.00 21.23 H new ATOM 0 HD13 ILE A 420 -9.951 -0.073 -3.570 1.00 21.23 H new ATOM 91 N ARG A 421 -6.763 4.003 -4.107 1.00 33.20 N ATOM 92 CA ARG A 421 -5.763 4.703 -4.903 1.00 13.54 C ATOM 93 C ARG A 421 -4.905 5.607 -4.023 1.00 2.10 C ATOM 94 O ARG A 421 -3.715 5.791 -4.279 1.00 5.02 O ATOM 95 CB ARG A 421 -6.440 5.532 -5.996 1.00 43.24 C ATOM 96 CG ARG A 421 -5.463 6.162 -6.975 1.00 4.45 C ATOM 97 CD ARG A 421 -5.685 7.663 -7.095 1.00 64.42 C ATOM 98 NE ARG A 421 -6.710 7.986 -8.082 1.00 1.54 N ATOM 99 CZ ARG A 421 -7.327 9.162 -8.143 1.00 2.21 C ATOM 100 NH1 ARG A 421 -7.021 10.120 -7.278 1.00 23.12 N ATOM 101 NH2 ARG A 421 -8.250 9.382 -9.070 1.00 64.52 N ATOM 0 H ARG A 421 -7.718 4.094 -4.455 1.00 33.20 H new ATOM 0 HA ARG A 421 -5.118 3.958 -5.368 1.00 13.54 H new ATOM 0 HB2 ARG A 421 -7.133 4.896 -6.546 1.00 43.24 H new ATOM 0 HB3 ARG A 421 -7.032 6.319 -5.529 1.00 43.24 H new ATOM 0 HG2 ARG A 421 -4.442 5.969 -6.647 1.00 4.45 H new ATOM 0 HG3 ARG A 421 -5.576 5.697 -7.954 1.00 4.45 H new ATOM 0 HD2 ARG A 421 -5.976 8.065 -6.125 1.00 64.42 H new ATOM 0 HD3 ARG A 421 -4.749 8.147 -7.373 1.00 64.42 H new ATOM 0 HE ARG A 421 -6.967 7.271 -8.762 1.00 1.54 H new ATOM 0 HH11 ARG A 421 -6.311 9.955 -6.564 1.00 23.12 H new ATOM 0 HH12 ARG A 421 -7.496 11.022 -7.327 1.00 23.12 H new ATOM 0 HH21 ARG A 421 -8.487 8.648 -9.738 1.00 64.52 H new ATOM 0 HH22 ARG A 421 -8.722 10.285 -9.115 1.00 64.52 H new ATOM 115 N ALA A 422 -5.517 6.170 -2.985 1.00 60.32 N ATOM 116 CA ALA A 422 -4.808 7.052 -2.067 1.00 15.12 C ATOM 117 C ALA A 422 -4.134 6.258 -0.953 1.00 3.24 C ATOM 118 O ALA A 422 -3.154 6.712 -0.360 1.00 61.44 O ATOM 119 CB ALA A 422 -5.765 8.081 -1.481 1.00 22.41 C ATOM 0 H ALA A 422 -6.502 6.030 -2.760 1.00 60.32 H new ATOM 0 HA ALA A 422 -4.031 7.572 -2.627 1.00 15.12 H new ATOM 0 HB1 ALA A 422 -5.223 8.734 -0.797 1.00 22.41 H new ATOM 0 HB2 ALA A 422 -6.196 8.677 -2.286 1.00 22.41 H new ATOM 0 HB3 ALA A 422 -6.562 7.570 -0.940 1.00 22.41 H new ATOM 125 N LEU A 423 -4.664 5.074 -0.672 1.00 52.21 N ATOM 126 CA LEU A 423 -4.114 4.217 0.372 1.00 52.14 C ATOM 127 C LEU A 423 -2.662 3.857 0.072 1.00 51.32 C ATOM 128 O LEU A 423 -1.792 3.969 0.935 1.00 35.22 O ATOM 129 CB LEU A 423 -4.950 2.943 0.507 1.00 21.13 C ATOM 130 CG LEU A 423 -5.806 2.833 1.769 1.00 12.42 C ATOM 131 CD1 LEU A 423 -4.939 2.511 2.976 1.00 23.12 C ATOM 132 CD2 LEU A 423 -6.586 4.119 1.999 1.00 54.54 C ATOM 0 H LEU A 423 -5.475 4.685 -1.153 1.00 52.21 H new ATOM 0 HA LEU A 423 -4.146 4.766 1.313 1.00 52.14 H new ATOM 0 HB2 LEU A 423 -5.606 2.869 -0.360 1.00 21.13 H new ATOM 0 HB3 LEU A 423 -4.278 2.086 0.472 1.00 21.13 H new ATOM 0 HG LEU A 423 -6.518 2.019 1.631 1.00 12.42 H new ATOM 0 HD11 LEU A 423 -5.566 2.437 3.865 1.00 23.12 H new ATOM 0 HD12 LEU A 423 -4.426 1.563 2.813 1.00 23.12 H new ATOM 0 HD13 LEU A 423 -4.203 3.302 3.117 1.00 23.12 H new ATOM 0 HD21 LEU A 423 -7.189 4.022 2.902 1.00 54.54 H new ATOM 0 HD22 LEU A 423 -5.891 4.950 2.115 1.00 54.54 H new ATOM 0 HD23 LEU A 423 -7.237 4.307 1.146 1.00 54.54 H new ATOM 144 N VAL A 424 -2.408 3.425 -1.159 1.00 42.41 N ATOM 145 CA VAL A 424 -1.061 3.051 -1.576 1.00 11.23 C ATOM 146 C VAL A 424 -0.120 4.249 -1.526 1.00 65.41 C ATOM 147 O VAL A 424 1.102 4.093 -1.533 1.00 45.11 O ATOM 148 CB VAL A 424 -1.056 2.466 -3.000 1.00 40.53 C ATOM 149 CG1 VAL A 424 0.345 2.016 -3.387 1.00 41.40 C ATOM 150 CG2 VAL A 424 -2.044 1.314 -3.106 1.00 64.21 C ATOM 0 H VAL A 424 -3.117 3.325 -1.885 1.00 42.41 H new ATOM 0 HA VAL A 424 -0.713 2.289 -0.879 1.00 11.23 H new ATOM 0 HB VAL A 424 -1.366 3.245 -3.696 1.00 40.53 H new ATOM 0 HG11 VAL A 424 0.329 1.605 -4.397 1.00 41.40 H new ATOM 0 HG12 VAL A 424 1.023 2.868 -3.353 1.00 41.40 H new ATOM 0 HG13 VAL A 424 0.687 1.251 -2.690 1.00 41.40 H new ATOM 0 HG21 VAL A 424 -2.027 0.912 -4.119 1.00 64.21 H new ATOM 0 HG22 VAL A 424 -1.767 0.531 -2.401 1.00 64.21 H new ATOM 0 HG23 VAL A 424 -3.047 1.672 -2.874 1.00 64.21 H new ATOM 160 N LYS A 425 -0.694 5.445 -1.475 1.00 44.21 N ATOM 161 CA LYS A 425 0.094 6.671 -1.423 1.00 11.21 C ATOM 162 C LYS A 425 0.592 6.937 -0.006 1.00 43.31 C ATOM 163 O LYS A 425 1.595 7.624 0.192 1.00 52.50 O ATOM 164 CB LYS A 425 -0.739 7.858 -1.913 1.00 33.04 C ATOM 165 CG LYS A 425 -0.033 8.709 -2.954 1.00 11.22 C ATOM 166 CD LYS A 425 -0.456 8.330 -4.363 1.00 64.44 C ATOM 167 CE LYS A 425 -1.852 8.839 -4.682 1.00 54.44 C ATOM 168 NZ LYS A 425 -1.821 10.184 -5.321 1.00 23.42 N ATOM 0 H LYS A 425 -1.703 5.592 -1.469 1.00 44.21 H new ATOM 0 HA LYS A 425 0.958 6.547 -2.076 1.00 11.21 H new ATOM 0 HB2 LYS A 425 -1.674 7.486 -2.333 1.00 33.04 H new ATOM 0 HB3 LYS A 425 -1.000 8.485 -1.060 1.00 33.04 H new ATOM 0 HG2 LYS A 425 -0.255 9.761 -2.777 1.00 11.22 H new ATOM 0 HG3 LYS A 425 1.046 8.590 -2.852 1.00 11.22 H new ATOM 0 HD2 LYS A 425 0.255 8.741 -5.080 1.00 64.44 H new ATOM 0 HD3 LYS A 425 -0.429 7.246 -4.473 1.00 64.44 H new ATOM 0 HE2 LYS A 425 -2.353 8.134 -5.345 1.00 54.44 H new ATOM 0 HE3 LYS A 425 -2.439 8.886 -3.765 1.00 54.44 H new ATOM 0 HZ1 LYS A 425 -2.793 10.495 -5.522 1.00 23.42 H new ATOM 0 HZ2 LYS A 425 -1.366 10.863 -4.678 1.00 23.42 H new ATOM 0 HZ3 LYS A 425 -1.282 10.134 -6.209 1.00 23.42 H new ATOM 182 N LYS A 426 -0.112 6.389 0.977 1.00 74.34 N ATOM 183 CA LYS A 426 0.260 6.563 2.376 1.00 0.11 C ATOM 184 C LYS A 426 1.475 5.710 2.727 1.00 72.02 C ATOM 185 O LYS A 426 2.332 6.124 3.507 1.00 25.25 O ATOM 186 CB LYS A 426 -0.914 6.197 3.287 1.00 31.11 C ATOM 187 CG LYS A 426 -1.341 7.324 4.211 1.00 10.31 C ATOM 188 CD LYS A 426 -2.746 7.807 3.889 1.00 72.52 C ATOM 189 CE LYS A 426 -2.836 9.324 3.926 1.00 12.41 C ATOM 190 NZ LYS A 426 -4.100 9.819 3.312 1.00 22.11 N ATOM 0 H LYS A 426 -0.945 5.819 0.831 1.00 74.34 H new ATOM 0 HA LYS A 426 0.518 7.611 2.529 1.00 0.11 H new ATOM 0 HB2 LYS A 426 -1.763 5.902 2.671 1.00 31.11 H new ATOM 0 HB3 LYS A 426 -0.640 5.330 3.888 1.00 31.11 H new ATOM 0 HG2 LYS A 426 -1.301 6.983 5.245 1.00 10.31 H new ATOM 0 HG3 LYS A 426 -0.640 8.154 4.122 1.00 10.31 H new ATOM 0 HD2 LYS A 426 -3.038 7.448 2.902 1.00 72.52 H new ATOM 0 HD3 LYS A 426 -3.451 7.382 4.604 1.00 72.52 H new ATOM 0 HE2 LYS A 426 -2.775 9.666 4.959 1.00 12.41 H new ATOM 0 HE3 LYS A 426 -1.984 9.752 3.398 1.00 12.41 H new ATOM 0 HZ1 LYS A 426 -4.124 10.858 3.356 1.00 22.11 H new ATOM 0 HZ2 LYS A 426 -4.146 9.514 2.319 1.00 22.11 H new ATOM 0 HZ3 LYS A 426 -4.913 9.431 3.832 1.00 22.11 H new ATOM 204 N LEU A 427 1.542 4.518 2.144 1.00 65.53 N ATOM 205 CA LEU A 427 2.654 3.607 2.394 1.00 23.22 C ATOM 206 C LEU A 427 3.982 4.249 2.006 1.00 21.44 C ATOM 207 O LEU A 427 5.011 3.995 2.633 1.00 22.42 O ATOM 208 CB LEU A 427 2.457 2.305 1.614 1.00 24.43 C ATOM 209 CG LEU A 427 1.391 1.354 2.156 1.00 74.13 C ATOM 210 CD1 LEU A 427 1.592 1.118 3.645 1.00 51.24 C ATOM 211 CD2 LEU A 427 -0.002 1.903 1.884 1.00 34.20 C ATOM 0 H LEU A 427 0.841 4.160 1.496 1.00 65.53 H new ATOM 0 HA LEU A 427 2.677 3.385 3.461 1.00 23.22 H new ATOM 0 HB2 LEU A 427 2.202 2.557 0.585 1.00 24.43 H new ATOM 0 HB3 LEU A 427 3.409 1.774 1.586 1.00 24.43 H new ATOM 0 HG LEU A 427 1.490 0.398 1.642 1.00 74.13 H new ATOM 0 HD11 LEU A 427 0.823 0.438 4.013 1.00 51.24 H new ATOM 0 HD12 LEU A 427 2.575 0.679 3.814 1.00 51.24 H new ATOM 0 HD13 LEU A 427 1.522 2.067 4.177 1.00 51.24 H new ATOM 0 HD21 LEU A 427 -0.748 1.213 2.277 1.00 34.20 H new ATOM 0 HD22 LEU A 427 -0.113 2.872 2.370 1.00 34.20 H new ATOM 0 HD23 LEU A 427 -0.144 2.018 0.809 1.00 34.20 H new ATOM 223 N ILE A 428 3.951 5.083 0.973 1.00 42.35 N ATOM 224 CA ILE A 428 5.152 5.765 0.505 1.00 33.32 C ATOM 225 C ILE A 428 5.177 7.216 0.971 1.00 65.14 C ATOM 226 O ILE A 428 6.209 7.882 0.902 1.00 5.51 O ATOM 227 CB ILE A 428 5.258 5.728 -1.031 1.00 14.21 C ATOM 228 CG1 ILE A 428 4.979 4.316 -1.550 1.00 55.44 C ATOM 229 CG2 ILE A 428 6.632 6.201 -1.479 1.00 21.14 C ATOM 230 CD1 ILE A 428 5.052 4.200 -3.056 1.00 4.31 C ATOM 0 H ILE A 428 3.107 5.303 0.444 1.00 42.35 H new ATOM 0 HA ILE A 428 6.003 5.235 0.932 1.00 33.32 H new ATOM 0 HB ILE A 428 4.510 6.402 -1.448 1.00 14.21 H new ATOM 0 HG12 ILE A 428 5.696 3.626 -1.105 1.00 55.44 H new ATOM 0 HG13 ILE A 428 3.989 4.005 -1.217 1.00 55.44 H new ATOM 0 HG21 ILE A 428 6.691 6.169 -2.567 1.00 21.14 H new ATOM 0 HG22 ILE A 428 6.794 7.223 -1.137 1.00 21.14 H new ATOM 0 HG23 ILE A 428 7.397 5.550 -1.055 1.00 21.14 H new ATOM 0 HD11 ILE A 428 4.844 3.172 -3.352 1.00 4.31 H new ATOM 0 HD12 ILE A 428 4.316 4.864 -3.508 1.00 4.31 H new ATOM 0 HD13 ILE A 428 6.050 4.480 -3.395 1.00 4.31 H new ATOM 242 N ALA A 429 4.034 7.699 1.448 1.00 65.12 N ATOM 243 CA ALA A 429 3.927 9.071 1.929 1.00 75.24 C ATOM 244 C ALA A 429 4.944 9.347 3.030 1.00 21.35 C ATOM 245 O ALA A 429 5.315 10.496 3.270 1.00 30.34 O ATOM 246 CB ALA A 429 2.517 9.344 2.431 1.00 53.53 C ATOM 0 H ALA A 429 3.170 7.161 1.512 1.00 65.12 H new ATOM 0 HA ALA A 429 4.142 9.740 1.096 1.00 75.24 H new ATOM 0 HB1 ALA A 429 2.450 10.372 2.787 1.00 53.53 H new ATOM 0 HB2 ALA A 429 1.806 9.195 1.618 1.00 53.53 H new ATOM 0 HB3 ALA A 429 2.283 8.661 3.248 1.00 53.53 H new ATOM 252 N ALA A 430 5.392 8.288 3.696 1.00 64.21 N ATOM 253 CA ALA A 430 6.369 8.418 4.771 1.00 62.20 C ATOM 254 C ALA A 430 7.519 7.432 4.590 1.00 41.41 C ATOM 255 O ALA A 430 7.777 6.601 5.458 1.00 72.20 O ATOM 256 CB ALA A 430 5.699 8.208 6.121 1.00 44.52 C ATOM 0 H ALA A 430 5.094 7.330 3.510 1.00 64.21 H new ATOM 0 HA ALA A 430 6.781 9.427 4.735 1.00 62.20 H new ATOM 0 HB1 ALA A 430 6.440 8.308 6.914 1.00 44.52 H new ATOM 0 HB2 ALA A 430 4.917 8.954 6.259 1.00 44.52 H new ATOM 0 HB3 ALA A 430 5.260 7.211 6.158 1.00 44.52 H new ATOM 262 N GLU A 431 8.205 7.533 3.456 1.00 51.15 N ATOM 263 CA GLU A 431 9.326 6.649 3.162 1.00 62.53 C ATOM 264 C GLU A 431 10.275 7.291 2.153 1.00 61.11 C ATOM 265 O GLU A 431 9.894 8.199 1.417 1.00 73.34 O ATOM 266 CB GLU A 431 8.820 5.309 2.621 1.00 2.12 C ATOM 267 CG GLU A 431 9.119 5.096 1.147 1.00 52.41 C ATOM 268 CD GLU A 431 8.561 3.788 0.622 1.00 21.21 C ATOM 269 OE1 GLU A 431 8.806 2.741 1.259 1.00 3.33 O ATOM 270 OE2 GLU A 431 7.881 3.808 -0.425 1.00 3.14 O ATOM 0 H GLU A 431 8.004 8.217 2.727 1.00 51.15 H new ATOM 0 HA GLU A 431 9.872 6.476 4.090 1.00 62.53 H new ATOM 0 HB2 GLU A 431 9.273 4.501 3.195 1.00 2.12 H new ATOM 0 HB3 GLU A 431 7.743 5.247 2.777 1.00 2.12 H new ATOM 0 HG2 GLU A 431 8.700 5.922 0.572 1.00 52.41 H new ATOM 0 HG3 GLU A 431 10.198 5.115 0.993 1.00 52.41 H new ATOM 277 N ASN A 432 11.515 6.811 2.128 1.00 12.33 N ATOM 278 CA ASN A 432 12.520 7.338 1.212 1.00 10.32 C ATOM 279 C ASN A 432 12.849 6.322 0.122 1.00 41.41 C ATOM 280 O ASN A 432 13.816 5.565 0.215 1.00 12.21 O ATOM 281 CB ASN A 432 13.792 7.712 1.977 1.00 10.51 C ATOM 282 CG ASN A 432 14.687 8.648 1.188 1.00 54.12 C ATOM 283 OD1 ASN A 432 14.427 8.934 0.019 1.00 63.44 O ATOM 284 ND2 ASN A 432 15.746 9.129 1.826 1.00 65.11 N ATOM 0 H ASN A 432 11.847 6.059 2.731 1.00 12.33 H new ATOM 0 HA ASN A 432 12.112 8.232 0.740 1.00 10.32 H new ATOM 0 HB2 ASN A 432 13.519 8.184 2.921 1.00 10.51 H new ATOM 0 HB3 ASN A 432 14.345 6.805 2.222 1.00 10.51 H new ATOM 0 HD21 ASN A 432 16.385 9.764 1.347 1.00 65.11 H new ATOM 0 HD22 ASN A 432 15.921 8.864 2.795 1.00 65.11 H new ATOM 291 N PRO A 433 12.027 6.304 -0.937 1.00 51.34 N ATOM 292 CA PRO A 433 12.210 5.386 -2.066 1.00 1.12 C ATOM 293 C PRO A 433 13.438 5.734 -2.901 1.00 55.11 C ATOM 294 O PRO A 433 13.740 5.062 -3.887 1.00 75.30 O ATOM 295 CB PRO A 433 10.933 5.576 -2.888 1.00 52.33 C ATOM 296 CG PRO A 433 10.463 6.949 -2.549 1.00 61.35 C ATOM 297 CD PRO A 433 10.854 7.177 -1.115 1.00 32.12 C ATOM 0 HA PRO A 433 12.372 4.360 -1.736 1.00 1.12 H new ATOM 0 HB2 PRO A 433 11.131 5.478 -3.955 1.00 52.33 H new ATOM 0 HB3 PRO A 433 10.183 4.827 -2.633 1.00 52.33 H new ATOM 0 HG2 PRO A 433 10.922 7.691 -3.202 1.00 61.35 H new ATOM 0 HG3 PRO A 433 9.384 7.035 -2.678 1.00 61.35 H new ATOM 0 HD2 PRO A 433 11.099 8.222 -0.927 1.00 32.12 H new ATOM 0 HD3 PRO A 433 10.048 6.911 -0.432 1.00 32.12 H new ATOM 305 N ALA A 434 14.141 6.787 -2.501 1.00 22.34 N ATOM 306 CA ALA A 434 15.337 7.222 -3.211 1.00 60.32 C ATOM 307 C ALA A 434 16.315 6.066 -3.397 1.00 42.43 C ATOM 308 O ALA A 434 16.552 5.613 -4.518 1.00 0.34 O ATOM 309 CB ALA A 434 16.006 8.368 -2.467 1.00 61.44 C ATOM 0 H ALA A 434 13.903 7.355 -1.688 1.00 22.34 H new ATOM 0 HA ALA A 434 15.036 7.572 -4.198 1.00 60.32 H new ATOM 0 HB1 ALA A 434 16.898 8.682 -3.009 1.00 61.44 H new ATOM 0 HB2 ALA A 434 15.313 9.206 -2.391 1.00 61.44 H new ATOM 0 HB3 ALA A 434 16.287 8.038 -1.467 1.00 61.44 H new ATOM 315 N LYS A 435 16.883 5.594 -2.294 1.00 33.33 N ATOM 316 CA LYS A 435 17.835 4.491 -2.334 1.00 32.22 C ATOM 317 C LYS A 435 17.124 3.167 -2.589 1.00 55.34 C ATOM 318 O LYS A 435 17.358 2.491 -3.591 1.00 64.41 O ATOM 319 CB LYS A 435 18.617 4.417 -1.020 1.00 34.42 C ATOM 320 CG LYS A 435 20.018 4.995 -1.112 1.00 14.31 C ATOM 321 CD LYS A 435 21.027 3.947 -1.553 1.00 13.23 C ATOM 322 CE LYS A 435 21.776 4.386 -2.801 1.00 72.24 C ATOM 323 NZ LYS A 435 23.191 3.922 -2.790 1.00 75.14 N ATOM 0 H LYS A 435 16.700 5.959 -1.359 1.00 33.33 H new ATOM 0 HA LYS A 435 18.530 4.674 -3.154 1.00 32.22 H new ATOM 0 HB2 LYS A 435 18.063 4.950 -0.247 1.00 34.42 H new ATOM 0 HB3 LYS A 435 18.683 3.376 -0.704 1.00 34.42 H new ATOM 0 HG2 LYS A 435 20.024 5.826 -1.817 1.00 14.31 H new ATOM 0 HG3 LYS A 435 20.311 5.398 -0.142 1.00 14.31 H new ATOM 0 HD2 LYS A 435 21.737 3.762 -0.747 1.00 13.23 H new ATOM 0 HD3 LYS A 435 20.514 3.005 -1.748 1.00 13.23 H new ATOM 0 HE2 LYS A 435 21.272 3.994 -3.684 1.00 72.24 H new ATOM 0 HE3 LYS A 435 21.751 5.473 -2.876 1.00 72.24 H new ATOM 0 HZ1 LYS A 435 23.668 4.241 -3.657 1.00 75.14 H new ATOM 0 HZ2 LYS A 435 23.679 4.317 -1.961 1.00 75.14 H new ATOM 0 HZ3 LYS A 435 23.215 2.883 -2.744 1.00 75.14 H new ATOM 337 N PRO A 436 16.230 2.786 -1.665 1.00 34.45 N ATOM 338 CA PRO A 436 15.463 1.539 -1.769 1.00 4.24 C ATOM 339 C PRO A 436 14.430 1.588 -2.889 1.00 42.15 C ATOM 340 O PRO A 436 14.234 2.626 -3.523 1.00 52.35 O ATOM 341 CB PRO A 436 14.772 1.433 -0.407 1.00 4.31 C ATOM 342 CG PRO A 436 14.678 2.838 0.081 1.00 52.55 C ATOM 343 CD PRO A 436 15.898 3.541 -0.445 1.00 2.12 C ATOM 0 HA PRO A 436 16.099 0.686 -2.006 1.00 4.24 H new ATOM 0 HB2 PRO A 436 13.785 0.979 -0.498 1.00 4.31 H new ATOM 0 HB3 PRO A 436 15.346 0.813 0.281 1.00 4.31 H new ATOM 0 HG2 PRO A 436 13.767 3.316 -0.279 1.00 52.55 H new ATOM 0 HG3 PRO A 436 14.647 2.872 1.170 1.00 52.55 H new ATOM 0 HD2 PRO A 436 15.694 4.589 -0.664 1.00 2.12 H new ATOM 0 HD3 PRO A 436 16.716 3.519 0.275 1.00 2.12 H new ATOM 351 N LEU A 437 13.771 0.459 -3.128 1.00 63.15 N ATOM 352 CA LEU A 437 12.756 0.372 -4.173 1.00 21.35 C ATOM 353 C LEU A 437 11.831 -0.817 -3.936 1.00 32.32 C ATOM 354 O LEU A 437 11.202 -1.322 -4.866 1.00 34.54 O ATOM 355 CB LEU A 437 13.419 0.251 -5.546 1.00 22.41 C ATOM 356 CG LEU A 437 13.893 1.559 -6.180 1.00 50.42 C ATOM 357 CD1 LEU A 437 15.396 1.720 -6.014 1.00 14.11 C ATOM 358 CD2 LEU A 437 13.509 1.608 -7.652 1.00 54.41 C ATOM 0 H LEU A 437 13.921 -0.408 -2.613 1.00 63.15 H new ATOM 0 HA LEU A 437 12.160 1.284 -4.143 1.00 21.35 H new ATOM 0 HB2 LEU A 437 14.276 -0.417 -5.456 1.00 22.41 H new ATOM 0 HB3 LEU A 437 12.714 -0.225 -6.227 1.00 22.41 H new ATOM 0 HG LEU A 437 13.402 2.387 -5.669 1.00 50.42 H new ATOM 0 HD11 LEU A 437 15.714 2.657 -6.472 1.00 14.11 H new ATOM 0 HD12 LEU A 437 15.646 1.731 -4.953 1.00 14.11 H new ATOM 0 HD13 LEU A 437 15.907 0.888 -6.498 1.00 14.11 H new ATOM 0 HD21 LEU A 437 13.854 2.546 -8.087 1.00 54.41 H new ATOM 0 HD22 LEU A 437 13.972 0.772 -8.177 1.00 54.41 H new ATOM 0 HD23 LEU A 437 12.425 1.541 -7.748 1.00 54.41 H new ATOM 370 N SER A 438 11.752 -1.258 -2.684 1.00 51.22 N ATOM 371 CA SER A 438 10.905 -2.389 -2.324 1.00 2.12 C ATOM 372 C SER A 438 9.871 -1.982 -1.279 1.00 72.14 C ATOM 373 O SER A 438 9.966 -0.912 -0.680 1.00 1.34 O ATOM 374 CB SER A 438 11.757 -3.543 -1.792 1.00 41.10 C ATOM 375 OG SER A 438 11.640 -4.687 -2.620 1.00 44.45 O ATOM 0 H SER A 438 12.264 -0.849 -1.902 1.00 51.22 H new ATOM 0 HA SER A 438 10.380 -2.718 -3.221 1.00 2.12 H new ATOM 0 HB2 SER A 438 12.801 -3.234 -1.739 1.00 41.10 H new ATOM 0 HB3 SER A 438 11.446 -3.791 -0.777 1.00 41.10 H new ATOM 0 HG SER A 438 12.195 -5.410 -2.260 1.00 44.45 H new ATOM 381 N ASP A 439 8.883 -2.846 -1.066 1.00 4.41 N ATOM 382 CA ASP A 439 7.830 -2.577 -0.092 1.00 62.34 C ATOM 383 C ASP A 439 8.080 -3.345 1.202 1.00 43.12 C ATOM 384 O ASP A 439 7.340 -4.270 1.539 1.00 73.01 O ATOM 385 CB ASP A 439 6.465 -2.955 -0.670 1.00 71.40 C ATOM 386 CG ASP A 439 6.496 -4.275 -1.415 1.00 64.32 C ATOM 387 OD1 ASP A 439 6.938 -5.281 -0.822 1.00 24.41 O ATOM 388 OD2 ASP A 439 6.080 -4.302 -2.592 1.00 53.01 O ATOM 0 H ASP A 439 8.789 -3.737 -1.554 1.00 4.41 H new ATOM 0 HA ASP A 439 7.838 -1.510 0.133 1.00 62.34 H new ATOM 0 HB2 ASP A 439 5.736 -3.014 0.138 1.00 71.40 H new ATOM 0 HB3 ASP A 439 6.129 -2.168 -1.345 1.00 71.40 H new ATOM 393 N SER A 440 9.126 -2.956 1.923 1.00 65.50 N ATOM 394 CA SER A 440 9.477 -3.611 3.177 1.00 14.33 C ATOM 395 C SER A 440 9.196 -2.695 4.365 1.00 2.31 C ATOM 396 O SER A 440 8.611 -3.115 5.364 1.00 5.21 O ATOM 397 CB SER A 440 10.951 -4.019 3.171 1.00 21.24 C ATOM 398 OG SER A 440 11.095 -5.417 3.349 1.00 50.34 O ATOM 0 H SER A 440 9.746 -2.190 1.660 1.00 65.50 H new ATOM 0 HA SER A 440 8.861 -4.505 3.275 1.00 14.33 H new ATOM 0 HB2 SER A 440 11.410 -3.720 2.229 1.00 21.24 H new ATOM 0 HB3 SER A 440 11.480 -3.492 3.965 1.00 21.24 H new ATOM 0 HG SER A 440 12.046 -5.652 3.340 1.00 50.34 H new ATOM 404 N LYS A 441 9.616 -1.440 4.248 1.00 71.21 N ATOM 405 CA LYS A 441 9.410 -0.462 5.310 1.00 4.32 C ATOM 406 C LYS A 441 7.926 -0.163 5.493 1.00 14.33 C ATOM 407 O LYS A 441 7.398 -0.247 6.603 1.00 35.31 O ATOM 408 CB LYS A 441 10.166 0.832 4.994 1.00 71.55 C ATOM 409 CG LYS A 441 11.262 1.154 5.994 1.00 24.20 C ATOM 410 CD LYS A 441 12.610 0.627 5.533 1.00 24.43 C ATOM 411 CE LYS A 441 13.122 -0.473 6.452 1.00 5.30 C ATOM 412 NZ LYS A 441 14.431 -1.016 5.991 1.00 13.51 N ATOM 0 H LYS A 441 10.101 -1.076 3.428 1.00 71.21 H new ATOM 0 HA LYS A 441 9.796 -0.884 6.238 1.00 4.32 H new ATOM 0 HB2 LYS A 441 10.605 0.753 3.999 1.00 71.55 H new ATOM 0 HB3 LYS A 441 9.457 1.660 4.965 1.00 71.55 H new ATOM 0 HG2 LYS A 441 11.321 2.233 6.135 1.00 24.20 H new ATOM 0 HG3 LYS A 441 11.012 0.719 6.962 1.00 24.20 H new ATOM 0 HD2 LYS A 441 12.523 0.243 4.517 1.00 24.43 H new ATOM 0 HD3 LYS A 441 13.331 1.444 5.505 1.00 24.43 H new ATOM 0 HE2 LYS A 441 13.227 -0.081 7.464 1.00 5.30 H new ATOM 0 HE3 LYS A 441 12.390 -1.279 6.497 1.00 5.30 H new ATOM 0 HZ1 LYS A 441 14.746 -1.763 6.643 1.00 13.51 H new ATOM 0 HZ2 LYS A 441 14.325 -1.413 5.035 1.00 13.51 H new ATOM 0 HZ3 LYS A 441 15.137 -0.252 5.973 1.00 13.51 H new ATOM 426 N LEU A 442 7.257 0.185 4.399 1.00 12.22 N ATOM 427 CA LEU A 442 5.832 0.494 4.441 1.00 44.44 C ATOM 428 C LEU A 442 5.049 -0.628 5.115 1.00 1.01 C ATOM 429 O LEU A 442 4.079 -0.380 5.831 1.00 5.54 O ATOM 430 CB LEU A 442 5.300 0.724 3.024 1.00 74.02 C ATOM 431 CG LEU A 442 5.900 -0.160 1.930 1.00 42.11 C ATOM 432 CD1 LEU A 442 4.801 -0.828 1.119 1.00 4.20 C ATOM 433 CD2 LEU A 442 6.812 0.657 1.025 1.00 13.43 C ATOM 0 H LEU A 442 7.678 0.260 3.473 1.00 12.22 H new ATOM 0 HA LEU A 442 5.700 1.404 5.026 1.00 44.44 H new ATOM 0 HB2 LEU A 442 4.221 0.573 3.034 1.00 74.02 H new ATOM 0 HB3 LEU A 442 5.474 1.766 2.757 1.00 74.02 H new ATOM 0 HG LEU A 442 6.496 -0.939 2.406 1.00 42.11 H new ATOM 0 HD11 LEU A 442 5.248 -1.453 0.346 1.00 4.20 H new ATOM 0 HD12 LEU A 442 4.189 -1.446 1.776 1.00 4.20 H new ATOM 0 HD13 LEU A 442 4.177 -0.065 0.653 1.00 4.20 H new ATOM 0 HD21 LEU A 442 7.230 0.012 0.252 1.00 13.43 H new ATOM 0 HD22 LEU A 442 6.239 1.458 0.558 1.00 13.43 H new ATOM 0 HD23 LEU A 442 7.621 1.087 1.616 1.00 13.43 H new ATOM 445 N THR A 443 5.480 -1.865 4.883 1.00 5.35 N ATOM 446 CA THR A 443 4.821 -3.024 5.469 1.00 73.41 C ATOM 447 C THR A 443 5.633 -3.591 6.628 1.00 0.24 C ATOM 448 O THR A 443 5.426 -4.730 7.045 1.00 73.03 O ATOM 449 CB THR A 443 4.600 -4.132 4.423 1.00 72.34 C ATOM 450 OG1 THR A 443 3.730 -5.140 4.951 1.00 24.41 O ATOM 451 CG2 THR A 443 5.923 -4.763 4.014 1.00 44.54 C ATOM 0 H THR A 443 6.282 -2.088 4.294 1.00 5.35 H new ATOM 0 HA THR A 443 3.854 -2.684 5.839 1.00 73.41 H new ATOM 0 HB THR A 443 4.142 -3.681 3.543 1.00 72.34 H new ATOM 0 HG1 THR A 443 4.078 -5.454 5.812 1.00 24.41 H new ATOM 0 HG21 THR A 443 5.741 -5.543 3.274 1.00 44.54 H new ATOM 0 HG22 THR A 443 6.573 -4.000 3.585 1.00 44.54 H new ATOM 0 HG23 THR A 443 6.404 -5.199 4.890 1.00 44.54 H new ATOM 459 N SER A 444 6.557 -2.788 7.146 1.00 4.50 N ATOM 460 CA SER A 444 7.402 -3.210 8.256 1.00 63.32 C ATOM 461 C SER A 444 6.630 -3.177 9.571 1.00 21.12 C ATOM 462 O SER A 444 6.591 -4.165 10.307 1.00 5.54 O ATOM 463 CB SER A 444 8.638 -2.313 8.354 1.00 2.20 C ATOM 464 OG SER A 444 9.420 -2.645 9.488 1.00 62.53 O ATOM 0 H SER A 444 6.739 -1.841 6.814 1.00 4.50 H new ATOM 0 HA SER A 444 7.720 -4.235 8.068 1.00 63.32 H new ATOM 0 HB2 SER A 444 9.239 -2.417 7.451 1.00 2.20 H new ATOM 0 HB3 SER A 444 8.330 -1.269 8.414 1.00 2.20 H new ATOM 0 HG SER A 444 10.204 -2.059 9.527 1.00 62.53 H new ATOM 470 N LEU A 445 6.015 -2.035 9.860 1.00 64.45 N ATOM 471 CA LEU A 445 5.242 -1.871 11.086 1.00 63.03 C ATOM 472 C LEU A 445 4.108 -2.889 11.155 1.00 25.12 C ATOM 473 O LEU A 445 3.721 -3.330 12.238 1.00 33.23 O ATOM 474 CB LEU A 445 4.675 -0.453 11.169 1.00 65.43 C ATOM 475 CG LEU A 445 5.379 0.495 12.142 1.00 13.31 C ATOM 476 CD1 LEU A 445 5.216 1.939 11.691 1.00 33.44 C ATOM 477 CD2 LEU A 445 4.836 0.310 13.552 1.00 22.10 C ATOM 0 H LEU A 445 6.037 -1.209 9.262 1.00 64.45 H new ATOM 0 HA LEU A 445 5.909 -2.039 11.932 1.00 63.03 H new ATOM 0 HB2 LEU A 445 4.709 -0.011 10.173 1.00 65.43 H new ATOM 0 HB3 LEU A 445 3.625 -0.519 11.453 1.00 65.43 H new ATOM 0 HG LEU A 445 6.442 0.256 12.149 1.00 13.31 H new ATOM 0 HD11 LEU A 445 5.723 2.599 12.395 1.00 33.44 H new ATOM 0 HD12 LEU A 445 5.652 2.062 10.700 1.00 33.44 H new ATOM 0 HD13 LEU A 445 4.156 2.192 11.655 1.00 33.44 H new ATOM 0 HD21 LEU A 445 5.348 0.992 14.231 1.00 22.10 H new ATOM 0 HD22 LEU A 445 3.767 0.523 13.561 1.00 22.10 H new ATOM 0 HD23 LEU A 445 5.004 -0.717 13.875 1.00 22.10 H new ATOM 489 N LEU A 446 3.582 -3.260 9.993 1.00 20.21 N ATOM 490 CA LEU A 446 2.493 -4.228 9.922 1.00 71.15 C ATOM 491 C LEU A 446 3.025 -5.654 10.029 1.00 62.32 C ATOM 492 O LEU A 446 2.286 -6.579 10.364 1.00 30.40 O ATOM 493 CB LEU A 446 1.718 -4.059 8.614 1.00 5.12 C ATOM 494 CG LEU A 446 0.504 -3.131 8.669 1.00 24.13 C ATOM 495 CD1 LEU A 446 -0.152 -3.027 7.301 1.00 75.34 C ATOM 496 CD2 LEU A 446 -0.495 -3.622 9.706 1.00 54.42 C ATOM 0 H LEU A 446 3.891 -2.906 9.088 1.00 20.21 H new ATOM 0 HA LEU A 446 1.822 -4.045 10.761 1.00 71.15 H new ATOM 0 HB2 LEU A 446 2.404 -3.683 7.855 1.00 5.12 H new ATOM 0 HB3 LEU A 446 1.384 -5.042 8.283 1.00 5.12 H new ATOM 0 HG LEU A 446 0.843 -2.137 8.962 1.00 24.13 H new ATOM 0 HD11 LEU A 446 -1.014 -2.362 7.360 1.00 75.34 H new ATOM 0 HD12 LEU A 446 0.565 -2.628 6.583 1.00 75.34 H new ATOM 0 HD13 LEU A 446 -0.478 -4.016 6.978 1.00 75.34 H new ATOM 0 HD21 LEU A 446 -1.353 -2.950 9.732 1.00 54.42 H new ATOM 0 HD22 LEU A 446 -0.829 -4.626 9.443 1.00 54.42 H new ATOM 0 HD23 LEU A 446 -0.021 -3.643 10.687 1.00 54.42 H new ATOM 508 N SER A 447 4.312 -5.824 9.744 1.00 44.44 N ATOM 509 CA SER A 447 4.943 -7.137 9.806 1.00 11.34 C ATOM 510 C SER A 447 5.443 -7.431 11.217 1.00 74.31 C ATOM 511 O SER A 447 5.744 -8.577 11.553 1.00 51.50 O ATOM 512 CB SER A 447 6.105 -7.215 8.814 1.00 73.34 C ATOM 513 OG SER A 447 6.631 -8.530 8.748 1.00 32.14 O ATOM 0 H SER A 447 4.939 -5.068 9.468 1.00 44.44 H new ATOM 0 HA SER A 447 4.197 -7.886 9.539 1.00 11.34 H new ATOM 0 HB2 SER A 447 5.765 -6.906 7.826 1.00 73.34 H new ATOM 0 HB3 SER A 447 6.890 -6.520 9.113 1.00 73.34 H new ATOM 0 HG SER A 447 6.550 -8.959 9.625 1.00 32.14 H new ATOM 519 N GLU A 448 5.530 -6.390 12.039 1.00 42.53 N ATOM 520 CA GLU A 448 5.994 -6.537 13.412 1.00 12.24 C ATOM 521 C GLU A 448 4.996 -7.342 14.241 1.00 62.03 C ATOM 522 O GLU A 448 5.303 -7.774 15.352 1.00 50.41 O ATOM 523 CB GLU A 448 6.213 -5.164 14.051 1.00 4.40 C ATOM 524 CG GLU A 448 7.428 -4.429 13.510 1.00 3.53 C ATOM 525 CD GLU A 448 8.604 -4.465 14.466 1.00 64.34 C ATOM 526 OE1 GLU A 448 8.382 -4.342 15.687 1.00 21.14 O ATOM 527 OE2 GLU A 448 9.749 -4.619 13.989 1.00 2.32 O ATOM 0 H GLU A 448 5.285 -5.435 11.777 1.00 42.53 H new ATOM 0 HA GLU A 448 6.942 -7.075 13.391 1.00 12.24 H new ATOM 0 HB2 GLU A 448 5.326 -4.551 13.889 1.00 4.40 H new ATOM 0 HB3 GLU A 448 6.323 -5.287 15.128 1.00 4.40 H new ATOM 0 HG2 GLU A 448 7.723 -4.873 12.559 1.00 3.53 H new ATOM 0 HG3 GLU A 448 7.160 -3.392 13.308 1.00 3.53 H new ATOM 534 N GLN A 449 3.802 -7.537 13.691 1.00 61.10 N ATOM 535 CA GLN A 449 2.760 -8.289 14.380 1.00 54.31 C ATOM 536 C GLN A 449 2.376 -9.536 13.590 1.00 31.23 C ATOM 537 O GLN A 449 2.243 -10.622 14.154 1.00 75.05 O ATOM 538 CB GLN A 449 1.526 -7.409 14.596 1.00 74.42 C ATOM 539 CG GLN A 449 1.393 -6.287 13.579 1.00 72.23 C ATOM 540 CD GLN A 449 0.143 -5.455 13.788 1.00 21.22 C ATOM 541 OE1 GLN A 449 -0.123 -4.544 12.861 1.00 75.33 O flip ATOM 542 NE2 GLN A 449 -0.574 -5.628 14.774 1.00 41.43 N flip ATOM 0 H GLN A 449 3.532 -7.186 12.772 1.00 61.10 H new ATOM 0 HA GLN A 449 3.151 -8.600 15.349 1.00 54.31 H new ATOM 0 HB2 GLN A 449 0.633 -8.033 14.555 1.00 74.42 H new ATOM 0 HB3 GLN A 449 1.568 -6.978 15.596 1.00 74.42 H new ATOM 0 HG2 GLN A 449 2.269 -5.641 13.640 1.00 72.23 H new ATOM 0 HG3 GLN A 449 1.379 -6.711 12.575 1.00 72.23 H new ATOM 0 HE21 GLN A 449 -0.331 -6.340 15.462 1.00 41.43 H new ATOM 0 HE22 GLN A 449 -1.411 -5.059 14.902 1.00 41.43 H new ATOM 551 N GLY A 450 2.200 -9.373 12.283 1.00 22.31 N ATOM 552 CA GLY A 450 1.834 -10.496 11.438 1.00 1.53 C ATOM 553 C GLY A 450 1.012 -10.072 10.237 1.00 2.53 C ATOM 554 O GLY A 450 0.846 -10.840 9.289 1.00 2.32 O ATOM 0 H GLY A 450 2.304 -8.484 11.794 1.00 22.31 H new ATOM 0 HA2 GLY A 450 2.738 -11.000 11.096 1.00 1.53 H new ATOM 0 HA3 GLY A 450 1.268 -11.220 12.025 1.00 1.53 H new ATOM 558 N ILE A 451 0.494 -8.848 10.278 1.00 61.04 N ATOM 559 CA ILE A 451 -0.315 -8.326 9.185 1.00 51.54 C ATOM 560 C ILE A 451 0.410 -8.461 7.850 1.00 4.52 C ATOM 561 O ILE A 451 0.066 -9.309 7.028 1.00 75.41 O ATOM 562 CB ILE A 451 -0.680 -6.846 9.411 1.00 70.31 C ATOM 563 CG1 ILE A 451 -1.349 -6.666 10.775 1.00 73.43 C ATOM 564 CG2 ILE A 451 -1.590 -6.348 8.298 1.00 20.51 C ATOM 565 CD1 ILE A 451 -2.589 -7.513 10.956 1.00 54.45 C ATOM 0 H ILE A 451 0.621 -8.201 11.056 1.00 61.04 H new ATOM 0 HA ILE A 451 -1.230 -8.918 9.160 1.00 51.54 H new ATOM 0 HB ILE A 451 0.236 -6.255 9.396 1.00 70.31 H new ATOM 0 HG12 ILE A 451 -0.632 -6.914 11.558 1.00 73.43 H new ATOM 0 HG13 ILE A 451 -1.613 -5.617 10.905 1.00 73.43 H new ATOM 0 HG21 ILE A 451 -1.839 -5.301 8.472 1.00 20.51 H new ATOM 0 HG22 ILE A 451 -1.080 -6.445 7.340 1.00 20.51 H new ATOM 0 HG23 ILE A 451 -2.505 -6.941 8.283 1.00 20.51 H new ATOM 0 HD11 ILE A 451 -3.010 -7.334 11.945 1.00 54.45 H new ATOM 0 HD12 ILE A 451 -3.324 -7.249 10.195 1.00 54.45 H new ATOM 0 HD13 ILE A 451 -2.327 -8.567 10.858 1.00 54.45 H new ATOM 577 N MET A 452 1.415 -7.618 7.642 1.00 2.01 N ATOM 578 CA MET A 452 2.192 -7.644 6.408 1.00 41.24 C ATOM 579 C MET A 452 1.299 -7.956 5.210 1.00 24.03 C ATOM 580 O MET A 452 1.346 -9.054 4.656 1.00 65.22 O ATOM 581 CB MET A 452 3.311 -8.683 6.507 1.00 41.10 C ATOM 582 CG MET A 452 2.841 -10.037 7.012 1.00 23.22 C ATOM 583 SD MET A 452 4.132 -11.294 6.932 1.00 54.02 S ATOM 584 CE MET A 452 3.534 -12.307 5.582 1.00 70.01 C ATOM 0 H MET A 452 1.711 -6.908 8.312 1.00 2.01 H new ATOM 0 HA MET A 452 2.633 -6.657 6.264 1.00 41.24 H new ATOM 0 HB2 MET A 452 3.766 -8.809 5.525 1.00 41.10 H new ATOM 0 HB3 MET A 452 4.088 -8.306 7.172 1.00 41.10 H new ATOM 0 HG2 MET A 452 2.499 -9.938 8.042 1.00 23.22 H new ATOM 0 HG3 MET A 452 1.984 -10.363 6.422 1.00 23.22 H new ATOM 0 HE1 MET A 452 4.227 -13.130 5.410 1.00 70.01 H new ATOM 0 HE2 MET A 452 2.552 -12.706 5.834 1.00 70.01 H new ATOM 0 HE3 MET A 452 3.458 -11.702 4.679 1.00 70.01 H new ATOM 594 N VAL A 453 0.485 -6.982 4.816 1.00 10.42 N ATOM 595 CA VAL A 453 -0.419 -7.151 3.685 1.00 64.24 C ATOM 596 C VAL A 453 -0.013 -6.256 2.519 1.00 73.02 C ATOM 597 O VAL A 453 0.005 -6.690 1.367 1.00 53.20 O ATOM 598 CB VAL A 453 -1.875 -6.836 4.076 1.00 62.13 C ATOM 599 CG1 VAL A 453 -2.498 -8.016 4.807 1.00 52.35 C ATOM 600 CG2 VAL A 453 -1.937 -5.578 4.928 1.00 52.12 C ATOM 0 H VAL A 453 0.433 -6.067 5.264 1.00 10.42 H new ATOM 0 HA VAL A 453 -0.351 -8.195 3.380 1.00 64.24 H new ATOM 0 HB VAL A 453 -2.448 -6.659 3.166 1.00 62.13 H new ATOM 0 HG11 VAL A 453 -3.527 -7.776 5.076 1.00 52.35 H new ATOM 0 HG12 VAL A 453 -2.488 -8.892 4.159 1.00 52.35 H new ATOM 0 HG13 VAL A 453 -1.927 -8.227 5.711 1.00 52.35 H new ATOM 0 HG21 VAL A 453 -2.973 -5.370 5.195 1.00 52.12 H new ATOM 0 HG22 VAL A 453 -1.351 -5.724 5.835 1.00 52.12 H new ATOM 0 HG23 VAL A 453 -1.532 -4.737 4.365 1.00 52.12 H new ATOM 610 N ALA A 454 0.314 -5.006 2.826 1.00 41.42 N ATOM 611 CA ALA A 454 0.722 -4.050 1.804 1.00 45.03 C ATOM 612 C ALA A 454 1.802 -4.639 0.902 1.00 14.42 C ATOM 613 O ALA A 454 1.927 -4.258 -0.262 1.00 54.13 O ATOM 614 CB ALA A 454 1.214 -2.764 2.451 1.00 64.33 C ATOM 0 H ALA A 454 0.304 -4.631 3.775 1.00 41.42 H new ATOM 0 HA ALA A 454 -0.146 -3.823 1.186 1.00 45.03 H new ATOM 0 HB1 ALA A 454 1.515 -2.059 1.676 1.00 64.33 H new ATOM 0 HB2 ALA A 454 0.413 -2.327 3.047 1.00 64.33 H new ATOM 0 HB3 ALA A 454 2.067 -2.983 3.094 1.00 64.33 H new ATOM 620 N ARG A 455 2.580 -5.567 1.448 1.00 2.32 N ATOM 621 CA ARG A 455 3.651 -6.207 0.693 1.00 41.31 C ATOM 622 C ARG A 455 3.132 -6.743 -0.638 1.00 41.33 C ATOM 623 O ARG A 455 3.523 -6.268 -1.705 1.00 72.03 O ATOM 624 CB ARG A 455 4.270 -7.344 1.507 1.00 41.42 C ATOM 625 CG ARG A 455 5.663 -7.737 1.043 1.00 34.35 C ATOM 626 CD ARG A 455 5.779 -9.240 0.841 1.00 51.44 C ATOM 627 NE ARG A 455 5.429 -9.637 -0.520 1.00 42.21 N ATOM 628 CZ ARG A 455 6.192 -9.387 -1.578 1.00 42.13 C ATOM 629 NH1 ARG A 455 7.343 -8.744 -1.433 1.00 52.32 N ATOM 630 NH2 ARG A 455 5.805 -9.781 -2.785 1.00 4.53 N ATOM 0 H ARG A 455 2.489 -5.893 2.410 1.00 2.32 H new ATOM 0 HA ARG A 455 4.416 -5.458 0.490 1.00 41.31 H new ATOM 0 HB2 ARG A 455 4.316 -7.046 2.555 1.00 41.42 H new ATOM 0 HB3 ARG A 455 3.618 -8.216 1.451 1.00 41.42 H new ATOM 0 HG2 ARG A 455 5.895 -7.224 0.110 1.00 34.35 H new ATOM 0 HG3 ARG A 455 6.398 -7.410 1.778 1.00 34.35 H new ATOM 0 HD2 ARG A 455 6.798 -9.558 1.061 1.00 51.44 H new ATOM 0 HD3 ARG A 455 5.126 -9.752 1.548 1.00 51.44 H new ATOM 0 HE ARG A 455 4.550 -10.134 -0.666 1.00 42.21 H new ATOM 0 HH11 ARG A 455 7.644 -8.440 -0.507 1.00 52.32 H new ATOM 0 HH12 ARG A 455 7.927 -8.553 -2.247 1.00 52.32 H new ATOM 0 HH21 ARG A 455 4.921 -10.276 -2.901 1.00 4.53 H new ATOM 0 HH22 ARG A 455 6.392 -9.588 -3.597 1.00 4.53 H new ATOM 644 N ARG A 456 2.251 -7.735 -0.567 1.00 63.03 N ATOM 645 CA ARG A 456 1.680 -8.338 -1.766 1.00 43.12 C ATOM 646 C ARG A 456 0.457 -7.556 -2.237 1.00 70.44 C ATOM 647 O ARG A 456 0.101 -7.590 -3.416 1.00 32.23 O ATOM 648 CB ARG A 456 1.296 -9.794 -1.497 1.00 64.11 C ATOM 649 CG ARG A 456 -0.085 -9.958 -0.885 1.00 2.53 C ATOM 650 CD ARG A 456 -1.151 -10.137 -1.954 1.00 2.41 C ATOM 651 NE ARG A 456 -1.559 -11.533 -2.092 1.00 1.55 N ATOM 652 CZ ARG A 456 -2.342 -11.977 -3.068 1.00 73.13 C ATOM 653 NH1 ARG A 456 -2.798 -11.140 -3.989 1.00 40.23 N ATOM 654 NH2 ARG A 456 -2.669 -13.262 -3.125 1.00 2.22 N ATOM 0 H ARG A 456 1.917 -8.139 0.308 1.00 63.03 H new ATOM 0 HA ARG A 456 2.434 -8.308 -2.552 1.00 43.12 H new ATOM 0 HB2 ARG A 456 1.337 -10.350 -2.433 1.00 64.11 H new ATOM 0 HB3 ARG A 456 2.035 -10.238 -0.830 1.00 64.11 H new ATOM 0 HG2 ARG A 456 -0.088 -10.820 -0.218 1.00 2.53 H new ATOM 0 HG3 ARG A 456 -0.321 -9.084 -0.277 1.00 2.53 H new ATOM 0 HD2 ARG A 456 -2.020 -9.528 -1.705 1.00 2.41 H new ATOM 0 HD3 ARG A 456 -0.771 -9.774 -2.909 1.00 2.41 H new ATOM 0 HE ARG A 456 -1.224 -12.204 -1.400 1.00 1.55 H new ATOM 0 HH11 ARG A 456 -2.548 -10.152 -3.949 1.00 40.23 H new ATOM 0 HH12 ARG A 456 -3.399 -11.484 -4.738 1.00 40.23 H new ATOM 0 HH21 ARG A 456 -2.319 -13.909 -2.419 1.00 2.22 H new ATOM 0 HH22 ARG A 456 -3.271 -13.602 -3.875 1.00 2.22 H new ATOM 668 N THR A 457 -0.184 -6.854 -1.308 1.00 71.33 N ATOM 669 CA THR A 457 -1.368 -6.067 -1.627 1.00 52.51 C ATOM 670 C THR A 457 -1.015 -4.876 -2.511 1.00 25.13 C ATOM 671 O THR A 457 -1.478 -4.774 -3.647 1.00 64.22 O ATOM 672 CB THR A 457 -2.064 -5.555 -0.351 1.00 73.35 C ATOM 673 OG1 THR A 457 -2.714 -6.641 0.320 1.00 3.24 O ATOM 674 CG2 THR A 457 -3.082 -4.476 -0.685 1.00 50.45 C ATOM 0 H THR A 457 0.097 -6.815 -0.328 1.00 71.33 H new ATOM 0 HA THR A 457 -2.050 -6.726 -2.164 1.00 52.51 H new ATOM 0 HB THR A 457 -1.306 -5.125 0.303 1.00 73.35 H new ATOM 0 HG1 THR A 457 -2.083 -7.071 0.934 1.00 3.24 H new ATOM 0 HG21 THR A 457 -3.560 -4.130 0.232 1.00 50.45 H new ATOM 0 HG22 THR A 457 -2.579 -3.639 -1.170 1.00 50.45 H new ATOM 0 HG23 THR A 457 -3.837 -4.884 -1.357 1.00 50.45 H new ATOM 682 N VAL A 458 -0.190 -3.977 -1.983 1.00 51.23 N ATOM 683 CA VAL A 458 0.227 -2.793 -2.725 1.00 63.43 C ATOM 684 C VAL A 458 0.754 -3.168 -4.106 1.00 25.02 C ATOM 685 O VAL A 458 0.337 -2.601 -5.115 1.00 61.42 O ATOM 686 CB VAL A 458 1.317 -2.011 -1.967 1.00 72.12 C ATOM 687 CG1 VAL A 458 1.755 -0.794 -2.769 1.00 61.41 C ATOM 688 CG2 VAL A 458 0.816 -1.600 -0.591 1.00 22.41 C ATOM 0 H VAL A 458 0.203 -4.046 -1.044 1.00 51.23 H new ATOM 0 HA VAL A 458 -0.654 -2.161 -2.834 1.00 63.43 H new ATOM 0 HB VAL A 458 2.182 -2.661 -1.835 1.00 72.12 H new ATOM 0 HG11 VAL A 458 2.525 -0.254 -2.219 1.00 61.41 H new ATOM 0 HG12 VAL A 458 2.155 -1.116 -3.730 1.00 61.41 H new ATOM 0 HG13 VAL A 458 0.899 -0.139 -2.933 1.00 61.41 H new ATOM 0 HG21 VAL A 458 1.598 -1.049 -0.069 1.00 22.41 H new ATOM 0 HG22 VAL A 458 -0.065 -0.967 -0.699 1.00 22.41 H new ATOM 0 HG23 VAL A 458 0.555 -2.490 -0.018 1.00 22.41 H new ATOM 698 N ALA A 459 1.672 -4.127 -4.142 1.00 60.34 N ATOM 699 CA ALA A 459 2.254 -4.580 -5.400 1.00 21.54 C ATOM 700 C ALA A 459 1.170 -4.940 -6.410 1.00 35.04 C ATOM 701 O ALA A 459 1.268 -4.604 -7.589 1.00 4.32 O ATOM 702 CB ALA A 459 3.170 -5.772 -5.159 1.00 23.22 C ATOM 0 H ALA A 459 2.029 -4.606 -3.315 1.00 60.34 H new ATOM 0 HA ALA A 459 2.842 -3.761 -5.815 1.00 21.54 H new ATOM 0 HB1 ALA A 459 3.598 -6.100 -6.107 1.00 23.22 H new ATOM 0 HB2 ALA A 459 3.972 -5.483 -4.480 1.00 23.22 H new ATOM 0 HB3 ALA A 459 2.597 -6.588 -4.718 1.00 23.22 H new ATOM 708 N LYS A 460 0.134 -5.627 -5.938 1.00 31.25 N ATOM 709 CA LYS A 460 -0.971 -6.033 -6.798 1.00 5.22 C ATOM 710 C LYS A 460 -1.708 -4.815 -7.347 1.00 63.04 C ATOM 711 O LYS A 460 -2.278 -4.863 -8.438 1.00 14.02 O ATOM 712 CB LYS A 460 -1.943 -6.927 -6.026 1.00 54.30 C ATOM 713 CG LYS A 460 -1.985 -8.358 -6.531 1.00 15.00 C ATOM 714 CD LYS A 460 -2.651 -8.450 -7.893 1.00 72.32 C ATOM 715 CE LYS A 460 -3.540 -9.681 -7.997 1.00 64.43 C ATOM 716 NZ LYS A 460 -4.706 -9.449 -8.893 1.00 44.24 N ATOM 0 H LYS A 460 0.037 -5.914 -4.964 1.00 31.25 H new ATOM 0 HA LYS A 460 -0.560 -6.595 -7.637 1.00 5.22 H new ATOM 0 HB2 LYS A 460 -1.662 -6.930 -4.973 1.00 54.30 H new ATOM 0 HB3 LYS A 460 -2.944 -6.499 -6.088 1.00 54.30 H new ATOM 0 HG2 LYS A 460 -0.971 -8.752 -6.594 1.00 15.00 H new ATOM 0 HG3 LYS A 460 -2.526 -8.981 -5.818 1.00 15.00 H new ATOM 0 HD2 LYS A 460 -3.246 -7.554 -8.069 1.00 72.32 H new ATOM 0 HD3 LYS A 460 -1.888 -8.484 -8.671 1.00 72.32 H new ATOM 0 HE2 LYS A 460 -2.955 -10.521 -8.372 1.00 64.43 H new ATOM 0 HE3 LYS A 460 -3.894 -9.958 -7.004 1.00 64.43 H new ATOM 0 HZ1 LYS A 460 -5.287 -10.311 -8.937 1.00 44.24 H new ATOM 0 HZ2 LYS A 460 -5.279 -8.664 -8.521 1.00 44.24 H new ATOM 0 HZ3 LYS A 460 -4.368 -9.210 -9.847 1.00 44.24 H new ATOM 730 N TYR A 461 -1.692 -3.727 -6.586 1.00 42.43 N ATOM 731 CA TYR A 461 -2.360 -2.498 -6.997 1.00 30.41 C ATOM 732 C TYR A 461 -1.516 -1.731 -8.011 1.00 32.54 C ATOM 733 O TYR A 461 -2.047 -1.044 -8.883 1.00 23.15 O ATOM 734 CB TYR A 461 -2.642 -1.615 -5.780 1.00 34.04 C ATOM 735 CG TYR A 461 -3.974 -1.898 -5.122 1.00 0.13 C ATOM 736 CD1 TYR A 461 -5.143 -1.313 -5.595 1.00 31.41 C ATOM 737 CD2 TYR A 461 -4.065 -2.750 -4.028 1.00 41.20 C ATOM 738 CE1 TYR A 461 -6.361 -1.568 -4.997 1.00 54.43 C ATOM 739 CE2 TYR A 461 -5.280 -3.011 -3.425 1.00 34.43 C ATOM 740 CZ TYR A 461 -6.425 -2.418 -3.913 1.00 13.32 C ATOM 741 OH TYR A 461 -7.638 -2.675 -3.314 1.00 65.43 O ATOM 0 H TYR A 461 -1.224 -3.671 -5.681 1.00 42.43 H new ATOM 0 HA TYR A 461 -3.305 -2.769 -7.469 1.00 30.41 H new ATOM 0 HB2 TYR A 461 -1.847 -1.756 -5.047 1.00 34.04 H new ATOM 0 HB3 TYR A 461 -2.612 -0.569 -6.086 1.00 34.04 H new ATOM 0 HD1 TYR A 461 -5.098 -0.648 -6.445 1.00 31.41 H new ATOM 0 HD2 TYR A 461 -3.170 -3.216 -3.643 1.00 41.20 H new ATOM 0 HE1 TYR A 461 -7.259 -1.104 -5.376 1.00 54.43 H new ATOM 0 HE2 TYR A 461 -5.333 -3.676 -2.576 1.00 34.43 H new ATOM 0 HH TYR A 461 -7.509 -3.294 -2.566 1.00 65.43 H new ATOM 751 N ARG A 462 -0.199 -1.855 -7.887 1.00 60.13 N ATOM 752 CA ARG A 462 0.720 -1.174 -8.792 1.00 75.14 C ATOM 753 C ARG A 462 0.365 -1.463 -10.247 1.00 42.34 C ATOM 754 O ARG A 462 0.333 -0.557 -11.079 1.00 62.04 O ATOM 755 CB ARG A 462 2.160 -1.609 -8.511 1.00 43.12 C ATOM 756 CG ARG A 462 3.156 -1.118 -9.549 1.00 65.23 C ATOM 757 CD ARG A 462 3.230 0.401 -9.578 1.00 62.33 C ATOM 758 NE ARG A 462 4.604 0.884 -9.467 1.00 41.53 N ATOM 759 CZ ARG A 462 5.264 0.963 -8.317 1.00 64.14 C ATOM 760 NH1 ARG A 462 4.681 0.591 -7.187 1.00 13.54 N ATOM 761 NH2 ARG A 462 6.512 1.414 -8.298 1.00 34.31 N ATOM 0 H ARG A 462 0.256 -2.420 -7.170 1.00 60.13 H new ATOM 0 HA ARG A 462 0.631 -0.101 -8.621 1.00 75.14 H new ATOM 0 HB2 ARG A 462 2.458 -1.239 -7.530 1.00 43.12 H new ATOM 0 HB3 ARG A 462 2.200 -2.697 -8.467 1.00 43.12 H new ATOM 0 HG2 ARG A 462 4.142 -1.527 -9.330 1.00 65.23 H new ATOM 0 HG3 ARG A 462 2.869 -1.488 -10.533 1.00 65.23 H new ATOM 0 HD2 ARG A 462 2.791 0.768 -10.506 1.00 62.33 H new ATOM 0 HD3 ARG A 462 2.635 0.809 -8.761 1.00 62.33 H new ATOM 0 HE ARG A 462 5.083 1.177 -10.319 1.00 41.53 H new ATOM 0 HH11 ARG A 462 3.722 0.243 -7.198 1.00 13.54 H new ATOM 0 HH12 ARG A 462 5.191 0.653 -6.306 1.00 13.54 H new ATOM 0 HH21 ARG A 462 6.964 1.700 -9.166 1.00 34.31 H new ATOM 0 HH22 ARG A 462 7.019 1.475 -7.415 1.00 34.31 H new ATOM 775 N GLU A 463 0.097 -2.730 -10.546 1.00 63.32 N ATOM 776 CA GLU A 463 -0.254 -3.138 -11.902 1.00 31.35 C ATOM 777 C GLU A 463 -1.568 -2.495 -12.338 1.00 64.44 C ATOM 778 O GLU A 463 -1.808 -2.298 -13.529 1.00 42.43 O ATOM 779 CB GLU A 463 -0.366 -4.662 -11.987 1.00 3.15 C ATOM 780 CG GLU A 463 0.846 -5.393 -11.432 1.00 42.33 C ATOM 781 CD GLU A 463 0.720 -6.899 -11.545 1.00 51.20 C ATOM 782 OE1 GLU A 463 1.001 -7.438 -12.636 1.00 52.21 O ATOM 783 OE2 GLU A 463 0.340 -7.540 -10.542 1.00 4.03 O ATOM 0 H GLU A 463 0.116 -3.492 -9.868 1.00 63.32 H new ATOM 0 HA GLU A 463 0.537 -2.802 -12.573 1.00 31.35 H new ATOM 0 HB2 GLU A 463 -1.254 -4.984 -11.443 1.00 3.15 H new ATOM 0 HB3 GLU A 463 -0.508 -4.950 -13.029 1.00 3.15 H new ATOM 0 HG2 GLU A 463 1.739 -5.066 -11.965 1.00 42.33 H new ATOM 0 HG3 GLU A 463 0.982 -5.121 -10.385 1.00 42.33 H new ATOM 790 N SER A 464 -2.414 -2.172 -11.366 1.00 40.01 N ATOM 791 CA SER A 464 -3.705 -1.556 -11.650 1.00 33.33 C ATOM 792 C SER A 464 -3.536 -0.085 -12.018 1.00 31.24 C ATOM 793 O SER A 464 -3.879 0.334 -13.124 1.00 73.13 O ATOM 794 CB SER A 464 -4.634 -1.688 -10.440 1.00 65.35 C ATOM 795 OG SER A 464 -5.773 -2.469 -10.756 1.00 1.54 O ATOM 0 H SER A 464 -2.229 -2.326 -10.375 1.00 40.01 H new ATOM 0 HA SER A 464 -4.149 -2.076 -12.499 1.00 33.33 H new ATOM 0 HB2 SER A 464 -4.094 -2.145 -9.611 1.00 65.35 H new ATOM 0 HB3 SER A 464 -4.948 -0.698 -10.109 1.00 65.35 H new ATOM 0 HG SER A 464 -6.350 -2.540 -9.967 1.00 1.54 H new ATOM 801 N LEU A 465 -3.005 0.694 -11.082 1.00 11.51 N ATOM 802 CA LEU A 465 -2.791 2.120 -11.306 1.00 25.41 C ATOM 803 C LEU A 465 -2.011 2.356 -12.596 1.00 2.53 C ATOM 804 O LEU A 465 -2.415 3.158 -13.438 1.00 12.50 O ATOM 805 CB LEU A 465 -2.039 2.735 -10.123 1.00 55.13 C ATOM 806 CG LEU A 465 -2.614 2.439 -8.737 1.00 21.32 C ATOM 807 CD1 LEU A 465 -1.615 1.650 -7.904 1.00 30.44 C ATOM 808 CD2 LEU A 465 -2.997 3.731 -8.032 1.00 11.04 C ATOM 0 H LEU A 465 -2.715 0.363 -10.162 1.00 11.51 H new ATOM 0 HA LEU A 465 -3.766 2.599 -11.398 1.00 25.41 H new ATOM 0 HB2 LEU A 465 -1.008 2.382 -10.150 1.00 55.13 H new ATOM 0 HB3 LEU A 465 -2.009 3.816 -10.259 1.00 55.13 H new ATOM 0 HG LEU A 465 -3.513 1.835 -8.858 1.00 21.32 H new ATOM 0 HD11 LEU A 465 -2.040 1.448 -6.921 1.00 30.44 H new ATOM 0 HD12 LEU A 465 -1.390 0.707 -8.403 1.00 30.44 H new ATOM 0 HD13 LEU A 465 -0.698 2.229 -7.791 1.00 30.44 H new ATOM 0 HD21 LEU A 465 -3.404 3.501 -7.047 1.00 11.04 H new ATOM 0 HD22 LEU A 465 -2.114 4.361 -7.922 1.00 11.04 H new ATOM 0 HD23 LEU A 465 -3.747 4.258 -8.621 1.00 11.04 H new ATOM 820 N SER A 466 -0.893 1.653 -12.743 1.00 42.31 N ATOM 821 CA SER A 466 -0.057 1.788 -13.930 1.00 1.12 C ATOM 822 C SER A 466 0.481 3.210 -14.058 1.00 22.05 C ATOM 823 O SER A 466 0.381 3.831 -15.116 1.00 54.30 O ATOM 824 CB SER A 466 -0.850 1.416 -15.184 1.00 64.04 C ATOM 825 OG SER A 466 0.007 0.941 -16.208 1.00 21.54 O ATOM 0 H SER A 466 -0.545 0.985 -12.056 1.00 42.31 H new ATOM 0 HA SER A 466 0.788 1.107 -13.828 1.00 1.12 H new ATOM 0 HB2 SER A 466 -1.587 0.651 -14.938 1.00 64.04 H new ATOM 0 HB3 SER A 466 -1.401 2.286 -15.541 1.00 64.04 H new ATOM 0 HG SER A 466 -0.525 0.709 -16.998 1.00 21.54 H new ATOM 831 N ILE A 467 1.051 3.719 -12.970 1.00 44.32 N ATOM 832 CA ILE A 467 1.605 5.068 -12.960 1.00 63.14 C ATOM 833 C ILE A 467 3.114 5.043 -13.177 1.00 41.11 C ATOM 834 O ILE A 467 3.777 4.022 -12.991 1.00 2.52 O ATOM 835 CB ILE A 467 1.299 5.791 -11.636 1.00 25.42 C ATOM 836 CG1 ILE A 467 2.515 5.737 -10.708 1.00 71.20 C ATOM 837 CG2 ILE A 467 0.084 5.173 -10.962 1.00 12.24 C ATOM 838 CD1 ILE A 467 2.891 4.333 -10.286 1.00 45.43 C ATOM 0 H ILE A 467 1.141 3.219 -12.086 1.00 44.32 H new ATOM 0 HA ILE A 467 1.132 5.611 -13.778 1.00 63.14 H new ATOM 0 HB ILE A 467 1.076 6.836 -11.853 1.00 25.42 H new ATOM 0 HG12 ILE A 467 3.366 6.197 -11.210 1.00 71.20 H new ATOM 0 HG13 ILE A 467 2.310 6.333 -9.818 1.00 71.20 H new ATOM 0 HG21 ILE A 467 -0.119 5.696 -10.027 1.00 12.24 H new ATOM 0 HG22 ILE A 467 -0.780 5.259 -11.621 1.00 12.24 H new ATOM 0 HG23 ILE A 467 0.279 4.121 -10.754 1.00 12.24 H new ATOM 0 HD11 ILE A 467 3.761 4.371 -9.630 1.00 45.43 H new ATOM 0 HD12 ILE A 467 2.056 3.877 -9.755 1.00 45.43 H new ATOM 0 HD13 ILE A 467 3.128 3.739 -11.169 1.00 45.43 H new ATOM 850 N PRO A 468 3.673 6.195 -13.579 1.00 64.21 N ATOM 851 CA PRO A 468 5.111 6.332 -13.828 1.00 22.04 C ATOM 852 C PRO A 468 5.930 6.270 -12.544 1.00 35.24 C ATOM 853 O PRO A 468 5.452 6.598 -11.458 1.00 3.14 O ATOM 854 CB PRO A 468 5.229 7.716 -14.471 1.00 33.14 C ATOM 855 CG PRO A 468 4.042 8.467 -13.975 1.00 33.12 C ATOM 856 CD PRO A 468 2.944 7.451 -13.822 1.00 14.42 C ATOM 0 HA PRO A 468 5.496 5.524 -14.450 1.00 22.04 H new ATOM 0 HB2 PRO A 468 6.158 8.208 -14.183 1.00 33.14 H new ATOM 0 HB3 PRO A 468 5.228 7.648 -15.559 1.00 33.14 H new ATOM 0 HG2 PRO A 468 4.258 8.955 -13.024 1.00 33.12 H new ATOM 0 HG3 PRO A 468 3.754 9.250 -14.677 1.00 33.12 H new ATOM 0 HD2 PRO A 468 2.281 7.698 -12.993 1.00 14.42 H new ATOM 0 HD3 PRO A 468 2.325 7.390 -14.717 1.00 14.42 H new ATOM 864 N PRO A 469 7.194 5.839 -12.667 1.00 72.34 N ATOM 865 CA PRO A 469 8.107 5.724 -11.526 1.00 32.22 C ATOM 866 C PRO A 469 8.521 7.084 -10.976 1.00 1.25 C ATOM 867 O PRO A 469 8.247 8.119 -11.584 1.00 21.55 O ATOM 868 CB PRO A 469 9.316 4.992 -12.111 1.00 64.54 C ATOM 869 CG PRO A 469 9.284 5.309 -13.566 1.00 62.14 C ATOM 870 CD PRO A 469 7.830 5.430 -13.931 1.00 34.12 C ATOM 0 HA PRO A 469 7.645 5.207 -10.685 1.00 32.22 H new ATOM 0 HB2 PRO A 469 10.244 5.332 -11.652 1.00 64.54 H new ATOM 0 HB3 PRO A 469 9.250 3.918 -11.938 1.00 64.54 H new ATOM 0 HG2 PRO A 469 9.817 6.236 -13.775 1.00 62.14 H new ATOM 0 HG3 PRO A 469 9.768 4.524 -14.147 1.00 62.14 H new ATOM 0 HD2 PRO A 469 7.673 6.169 -14.717 1.00 34.12 H new ATOM 0 HD3 PRO A 469 7.427 4.485 -14.296 1.00 34.12 H new ATOM 878 N SER A 470 9.183 7.075 -9.823 1.00 41.33 N ATOM 879 CA SER A 470 9.633 8.309 -9.190 1.00 44.40 C ATOM 880 C SER A 470 10.374 8.014 -7.891 1.00 22.35 C ATOM 881 O SER A 470 10.289 8.775 -6.928 1.00 33.02 O ATOM 882 CB SER A 470 8.442 9.229 -8.913 1.00 13.12 C ATOM 883 OG SER A 470 8.723 10.561 -9.306 1.00 73.23 O ATOM 0 H SER A 470 9.419 6.227 -9.308 1.00 41.33 H new ATOM 0 HA SER A 470 10.319 8.810 -9.874 1.00 44.40 H new ATOM 0 HB2 SER A 470 7.566 8.866 -9.450 1.00 13.12 H new ATOM 0 HB3 SER A 470 8.199 9.204 -7.851 1.00 13.12 H new ATOM 0 HG SER A 470 7.946 11.128 -9.120 1.00 73.23 H new ATOM 889 N ASN A 471 11.103 6.903 -7.872 1.00 32.31 N ATOM 890 CA ASN A 471 11.861 6.505 -6.691 1.00 32.15 C ATOM 891 C ASN A 471 12.848 7.596 -6.284 1.00 71.34 C ATOM 892 O ASN A 471 12.773 8.133 -5.181 1.00 21.13 O ATOM 893 CB ASN A 471 12.608 5.197 -6.954 1.00 64.24 C ATOM 894 CG ASN A 471 11.755 4.181 -7.689 1.00 12.53 C ATOM 895 OD1 ASN A 471 11.052 3.382 -7.071 1.00 35.15 O ATOM 896 ND2 ASN A 471 11.813 4.208 -9.016 1.00 15.43 N ATOM 0 H ASN A 471 11.185 6.262 -8.661 1.00 32.31 H new ATOM 0 HA ASN A 471 11.157 6.354 -5.873 1.00 32.15 H new ATOM 0 HB2 ASN A 471 13.504 5.405 -7.538 1.00 64.24 H new ATOM 0 HB3 ASN A 471 12.937 4.773 -6.005 1.00 64.24 H new ATOM 0 HD21 ASN A 471 11.261 3.549 -9.564 1.00 15.43 H new ATOM 0 HD22 ASN A 471 12.410 4.888 -9.487 1.00 15.43 H new ATOM 903 N GLN A 472 13.771 7.915 -7.185 1.00 63.04 N ATOM 904 CA GLN A 472 14.773 8.941 -6.921 1.00 50.22 C ATOM 905 C GLN A 472 14.112 10.269 -6.570 1.00 40.50 C ATOM 906 O GLN A 472 14.707 11.110 -5.894 1.00 52.41 O ATOM 907 CB GLN A 472 15.687 9.117 -8.136 1.00 55.51 C ATOM 908 CG GLN A 472 14.933 9.390 -9.428 1.00 11.03 C ATOM 909 CD GLN A 472 15.823 9.296 -10.652 1.00 73.14 C ATOM 910 OE1 GLN A 472 16.439 10.412 -11.024 1.00 31.44 O flip ATOM 911 NE2 GLN A 472 15.954 8.232 -11.259 1.00 2.30 N flip ATOM 0 H GLN A 472 13.846 7.478 -8.104 1.00 63.04 H new ATOM 0 HA GLN A 472 15.372 8.618 -6.069 1.00 50.22 H new ATOM 0 HB2 GLN A 472 16.376 9.940 -7.946 1.00 55.51 H new ATOM 0 HB3 GLN A 472 16.291 8.218 -8.260 1.00 55.51 H new ATOM 0 HG2 GLN A 472 14.113 8.678 -9.524 1.00 11.03 H new ATOM 0 HG3 GLN A 472 14.488 10.384 -9.382 1.00 11.03 H new ATOM 0 HE21 GLN A 472 15.462 7.398 -10.938 1.00 2.30 H new ATOM 0 HE22 GLN A 472 16.555 8.185 -12.082 1.00 2.30 H new ATOM 920 N ARG A 473 12.880 10.453 -7.033 1.00 71.30 N ATOM 921 CA ARG A 473 12.139 11.680 -6.769 1.00 34.22 C ATOM 922 C ARG A 473 12.849 12.886 -7.378 1.00 31.21 C ATOM 923 O ARG A 473 12.929 13.949 -6.762 1.00 72.31 O ATOM 924 CB ARG A 473 11.967 11.883 -5.262 1.00 20.50 C ATOM 925 CG ARG A 473 10.622 12.478 -4.877 1.00 24.25 C ATOM 926 CD ARG A 473 9.721 11.442 -4.224 1.00 73.12 C ATOM 927 NE ARG A 473 8.395 11.977 -3.929 1.00 1.40 N ATOM 928 CZ ARG A 473 7.442 12.124 -4.842 1.00 52.14 C ATOM 929 NH1 ARG A 473 7.667 11.775 -6.102 1.00 13.34 N ATOM 930 NH2 ARG A 473 6.260 12.619 -4.496 1.00 44.15 N ATOM 0 H ARG A 473 12.374 9.767 -7.593 1.00 71.30 H new ATOM 0 HA ARG A 473 11.156 11.588 -7.231 1.00 34.22 H new ATOM 0 HB2 ARG A 473 12.088 10.924 -4.759 1.00 20.50 H new ATOM 0 HB3 ARG A 473 12.761 12.536 -4.899 1.00 20.50 H new ATOM 0 HG2 ARG A 473 10.775 13.312 -4.192 1.00 24.25 H new ATOM 0 HG3 ARG A 473 10.133 12.879 -5.765 1.00 24.25 H new ATOM 0 HD2 ARG A 473 9.625 10.579 -4.882 1.00 73.12 H new ATOM 0 HD3 ARG A 473 10.183 11.090 -3.302 1.00 73.12 H new ATOM 0 HE ARG A 473 8.189 12.253 -2.969 1.00 1.40 H new ATOM 0 HH11 ARG A 473 8.574 11.393 -6.371 1.00 13.34 H new ATOM 0 HH12 ARG A 473 6.933 11.889 -6.801 1.00 13.34 H new ATOM 0 HH21 ARG A 473 6.083 12.887 -3.528 1.00 44.15 H new ATOM 0 HH22 ARG A 473 5.529 12.731 -5.198 1.00 44.15 H new ATOM 944 N LYS A 474 13.364 12.712 -8.589 1.00 44.05 N ATOM 945 CA LYS A 474 14.067 13.784 -9.284 1.00 25.13 C ATOM 946 C LYS A 474 14.147 13.503 -10.780 1.00 41.13 C ATOM 947 O LYS A 474 13.648 12.484 -11.257 1.00 70.32 O ATOM 948 CB LYS A 474 15.475 13.954 -8.710 1.00 24.30 C ATOM 949 CG LYS A 474 15.944 15.398 -8.661 1.00 14.30 C ATOM 950 CD LYS A 474 16.299 15.821 -7.246 1.00 24.03 C ATOM 951 CE LYS A 474 16.794 17.259 -7.202 1.00 60.21 C ATOM 952 NZ LYS A 474 18.142 17.401 -7.819 1.00 32.01 N ATOM 0 H LYS A 474 13.308 11.837 -9.111 1.00 44.05 H new ATOM 0 HA LYS A 474 13.507 14.707 -9.136 1.00 25.13 H new ATOM 0 HB2 LYS A 474 15.500 13.539 -7.702 1.00 24.30 H new ATOM 0 HB3 LYS A 474 16.175 13.374 -9.311 1.00 24.30 H new ATOM 0 HG2 LYS A 474 16.813 15.521 -9.307 1.00 14.30 H new ATOM 0 HG3 LYS A 474 15.162 16.049 -9.051 1.00 14.30 H new ATOM 0 HD2 LYS A 474 15.425 15.716 -6.604 1.00 24.03 H new ATOM 0 HD3 LYS A 474 17.068 15.158 -6.849 1.00 24.03 H new ATOM 0 HE2 LYS A 474 16.086 17.903 -7.724 1.00 60.21 H new ATOM 0 HE3 LYS A 474 16.831 17.599 -6.167 1.00 60.21 H new ATOM 0 HZ1 LYS A 474 18.487 18.372 -7.679 1.00 32.01 H new ATOM 0 HZ2 LYS A 474 18.801 16.732 -7.372 1.00 32.01 H new ATOM 0 HZ3 LYS A 474 18.081 17.199 -8.837 1.00 32.01 H new ATOM 966 N GLN A 475 14.780 14.412 -11.516 1.00 51.54 N ATOM 967 CA GLN A 475 14.925 14.260 -12.959 1.00 12.04 C ATOM 968 C GLN A 475 16.133 13.392 -13.295 1.00 61.01 C ATOM 969 O GLN A 475 16.805 12.871 -12.404 1.00 11.32 O ATOM 970 CB GLN A 475 15.065 15.629 -13.626 1.00 12.02 C ATOM 971 CG GLN A 475 13.761 16.410 -13.691 1.00 22.11 C ATOM 972 CD GLN A 475 12.749 15.776 -14.625 1.00 4.45 C ATOM 973 OE1 GLN A 475 11.628 15.464 -14.224 1.00 42.41 O ATOM 974 NE2 GLN A 475 13.139 15.585 -15.880 1.00 4.45 N ATOM 0 H GLN A 475 15.200 15.261 -11.137 1.00 51.54 H new ATOM 0 HA GLN A 475 14.029 13.769 -13.339 1.00 12.04 H new ATOM 0 HB2 GLN A 475 15.804 16.216 -13.080 1.00 12.02 H new ATOM 0 HB3 GLN A 475 15.449 15.494 -14.637 1.00 12.02 H new ATOM 0 HG2 GLN A 475 13.333 16.480 -12.691 1.00 22.11 H new ATOM 0 HG3 GLN A 475 13.967 17.428 -14.021 1.00 22.11 H new ATOM 0 HE21 GLN A 475 14.078 15.859 -16.170 1.00 4.45 H new ATOM 0 HE22 GLN A 475 12.500 15.165 -16.554 1.00 4.45 H new ATOM 983 N LEU A 476 16.405 13.240 -14.587 1.00 13.25 N ATOM 984 CA LEU A 476 17.532 12.435 -15.042 1.00 70.24 C ATOM 985 C LEU A 476 18.822 12.863 -14.350 1.00 32.03 C ATOM 986 O LEU A 476 19.328 13.961 -14.581 1.00 61.40 O ATOM 987 CB LEU A 476 17.691 12.553 -16.559 1.00 54.51 C ATOM 988 CG LEU A 476 17.883 11.241 -17.319 1.00 64.55 C ATOM 989 CD1 LEU A 476 16.566 10.771 -17.917 1.00 23.24 C ATOM 990 CD2 LEU A 476 18.937 11.404 -18.405 1.00 22.51 C ATOM 0 H LEU A 476 15.860 13.664 -15.338 1.00 13.25 H new ATOM 0 HA LEU A 476 17.330 11.395 -14.784 1.00 70.24 H new ATOM 0 HB2 LEU A 476 16.810 13.055 -16.958 1.00 54.51 H new ATOM 0 HB3 LEU A 476 18.546 13.197 -16.765 1.00 54.51 H new ATOM 0 HG LEU A 476 18.228 10.483 -16.616 1.00 64.55 H new ATOM 0 HD11 LEU A 476 16.723 9.836 -18.454 1.00 23.24 H new ATOM 0 HD12 LEU A 476 15.840 10.614 -17.119 1.00 23.24 H new ATOM 0 HD13 LEU A 476 16.189 11.526 -18.607 1.00 23.24 H new ATOM 0 HD21 LEU A 476 19.061 10.460 -18.936 1.00 22.51 H new ATOM 0 HD22 LEU A 476 18.621 12.176 -19.106 1.00 22.51 H new ATOM 0 HD23 LEU A 476 19.885 11.692 -17.951 1.00 22.51 H new ATOM 1002 N VAL A 477 19.351 11.987 -13.501 1.00 34.25 N ATOM 1003 CA VAL A 477 20.584 12.273 -12.777 1.00 31.11 C ATOM 1004 C VAL A 477 21.783 12.286 -13.719 1.00 23.43 C ATOM 1005 O VAL A 477 21.637 12.120 -14.928 1.00 70.34 O ATOM 1006 CB VAL A 477 20.833 11.241 -11.661 1.00 53.34 C ATOM 1007 CG1 VAL A 477 19.768 11.356 -10.580 1.00 64.21 C ATOM 1008 CG2 VAL A 477 20.869 9.833 -12.237 1.00 5.01 C ATOM 0 H VAL A 477 18.945 11.074 -13.298 1.00 34.25 H new ATOM 0 HA VAL A 477 20.466 13.260 -12.329 1.00 31.11 H new ATOM 0 HB VAL A 477 21.802 11.449 -11.207 1.00 53.34 H new ATOM 0 HG11 VAL A 477 19.960 10.619 -9.800 1.00 64.21 H new ATOM 0 HG12 VAL A 477 19.794 12.357 -10.148 1.00 64.21 H new ATOM 0 HG13 VAL A 477 18.786 11.175 -11.016 1.00 64.21 H new ATOM 0 HG21 VAL A 477 21.046 9.116 -11.435 1.00 5.01 H new ATOM 0 HG22 VAL A 477 19.916 9.612 -12.718 1.00 5.01 H new ATOM 0 HG23 VAL A 477 21.671 9.761 -12.972 1.00 5.01 H new ATOM 1018 N ALA A 478 22.970 12.486 -13.153 1.00 74.32 N ATOM 1019 CA ALA A 478 24.195 12.518 -13.941 1.00 65.22 C ATOM 1020 C ALA A 478 25.299 11.703 -13.275 1.00 13.14 C ATOM 1021 O ALA A 478 25.053 10.979 -12.311 1.00 13.45 O ATOM 1022 CB ALA A 478 24.651 13.955 -14.151 1.00 1.01 C ATOM 0 H ALA A 478 23.108 12.628 -12.152 1.00 74.32 H new ATOM 0 HA ALA A 478 23.984 12.070 -14.912 1.00 65.22 H new ATOM 0 HB1 ALA A 478 25.567 13.963 -14.741 1.00 1.01 H new ATOM 0 HB2 ALA A 478 23.875 14.510 -14.678 1.00 1.01 H new ATOM 0 HB3 ALA A 478 24.838 14.422 -13.184 1.00 1.01 H new ATOM 1028 N ASN A 479 26.515 11.825 -13.796 1.00 2.51 N ATOM 1029 CA ASN A 479 27.656 11.099 -13.251 1.00 74.12 C ATOM 1030 C ASN A 479 28.471 11.987 -12.315 1.00 55.13 C ATOM 1031 O ASN A 479 29.117 11.500 -11.388 1.00 30.42 O ATOM 1032 CB ASN A 479 28.546 10.581 -14.384 1.00 13.21 C ATOM 1033 CG ASN A 479 28.555 9.067 -14.466 1.00 72.14 C ATOM 1034 OD1 ASN A 479 29.318 8.401 -13.767 1.00 64.02 O ATOM 1035 ND2 ASN A 479 27.703 8.516 -15.324 1.00 72.41 N ATOM 0 H ASN A 479 26.736 12.420 -14.595 1.00 2.51 H new ATOM 0 HA ASN A 479 27.276 10.252 -12.679 1.00 74.12 H new ATOM 0 HB2 ASN A 479 28.198 10.991 -15.332 1.00 13.21 H new ATOM 0 HB3 ASN A 479 29.564 10.940 -14.236 1.00 13.21 H new ATOM 0 HD21 ASN A 479 27.663 7.502 -15.423 1.00 72.41 H new ATOM 0 HD22 ASN A 479 27.089 9.107 -15.884 1.00 72.41 H new ATOM 1042 N SER A 480 28.433 13.291 -12.565 1.00 2.52 N ATOM 1043 CA SER A 480 29.170 14.248 -11.747 1.00 41.45 C ATOM 1044 C SER A 480 28.777 14.123 -10.279 1.00 32.44 C ATOM 1045 O SER A 480 29.563 14.437 -9.385 1.00 62.40 O ATOM 1046 CB SER A 480 28.913 15.674 -12.236 1.00 13.12 C ATOM 1047 OG SER A 480 29.814 16.589 -11.638 1.00 62.30 O ATOM 0 H SER A 480 27.900 13.710 -13.327 1.00 2.52 H new ATOM 0 HA SER A 480 30.233 14.026 -11.841 1.00 41.45 H new ATOM 0 HB2 SER A 480 29.016 15.714 -13.320 1.00 13.12 H new ATOM 0 HB3 SER A 480 27.888 15.963 -12.002 1.00 13.12 H new ATOM 0 HG SER A 480 29.630 17.493 -11.968 1.00 62.30 H new ATOM 1053 N SER A 481 27.554 13.661 -10.037 1.00 62.30 N ATOM 1054 CA SER A 481 27.054 13.498 -8.677 1.00 50.13 C ATOM 1055 C SER A 481 28.022 12.669 -7.838 1.00 13.45 C ATOM 1056 O SER A 481 28.120 12.849 -6.625 1.00 1.15 O ATOM 1057 CB SER A 481 25.677 12.831 -8.695 1.00 15.22 C ATOM 1058 OG SER A 481 25.779 11.441 -8.433 1.00 24.25 O ATOM 0 H SER A 481 26.892 13.393 -10.765 1.00 62.30 H new ATOM 0 HA SER A 481 26.966 14.487 -8.227 1.00 50.13 H new ATOM 0 HB2 SER A 481 25.033 13.298 -7.950 1.00 15.22 H new ATOM 0 HB3 SER A 481 25.206 12.988 -9.666 1.00 15.22 H new ATOM 0 HG SER A 481 24.885 11.039 -8.448 1.00 24.25 H new ATOM 1064 N SER A 482 28.735 11.759 -8.494 1.00 42.44 N ATOM 1065 CA SER A 482 29.692 10.899 -7.810 1.00 23.40 C ATOM 1066 C SER A 482 30.898 11.703 -7.331 1.00 63.45 C ATOM 1067 O SER A 482 31.270 11.647 -6.159 1.00 31.22 O ATOM 1068 CB SER A 482 30.152 9.772 -8.737 1.00 73.10 C ATOM 1069 OG SER A 482 31.267 9.086 -8.193 1.00 13.44 O ATOM 0 H SER A 482 28.667 11.599 -9.499 1.00 42.44 H new ATOM 0 HA SER A 482 29.197 10.465 -6.941 1.00 23.40 H new ATOM 0 HB2 SER A 482 29.333 9.071 -8.897 1.00 73.10 H new ATOM 0 HB3 SER A 482 30.414 10.183 -9.712 1.00 73.10 H new ATOM 0 HG SER A 482 31.540 8.370 -8.804 1.00 13.44 H new ATOM 1075 N VAL A 483 31.506 12.450 -8.247 1.00 53.44 N ATOM 1076 CA VAL A 483 32.668 13.266 -7.920 1.00 63.23 C ATOM 1077 C VAL A 483 32.271 14.483 -7.094 1.00 54.31 C ATOM 1078 O VAL A 483 31.178 15.026 -7.255 1.00 44.45 O ATOM 1079 CB VAL A 483 33.398 13.738 -9.192 1.00 51.53 C ATOM 1080 CG1 VAL A 483 32.489 14.624 -10.031 1.00 24.24 C ATOM 1081 CG2 VAL A 483 34.682 14.468 -8.829 1.00 2.12 C ATOM 0 H VAL A 483 31.212 12.507 -9.222 1.00 53.44 H new ATOM 0 HA VAL A 483 33.341 12.638 -7.335 1.00 63.23 H new ATOM 0 HB VAL A 483 33.661 12.863 -9.786 1.00 51.53 H new ATOM 0 HG11 VAL A 483 33.021 14.948 -10.925 1.00 24.24 H new ATOM 0 HG12 VAL A 483 31.601 14.063 -10.321 1.00 24.24 H new ATOM 0 HG13 VAL A 483 32.193 15.497 -9.449 1.00 24.24 H new ATOM 0 HG21 VAL A 483 35.185 14.794 -9.739 1.00 2.12 H new ATOM 0 HG22 VAL A 483 34.445 15.336 -8.214 1.00 2.12 H new ATOM 0 HG23 VAL A 483 35.337 13.797 -8.273 1.00 2.12 H new ATOM 1091 N ASP A 484 33.165 14.908 -6.208 1.00 75.03 N ATOM 1092 CA ASP A 484 32.909 16.063 -5.356 1.00 35.15 C ATOM 1093 C ASP A 484 31.599 15.894 -4.591 1.00 4.42 C ATOM 1094 O ASP A 484 30.666 16.680 -4.756 1.00 50.12 O ATOM 1095 CB ASP A 484 32.863 17.342 -6.194 1.00 73.20 C ATOM 1096 CG ASP A 484 34.243 17.814 -6.604 1.00 42.43 C ATOM 1097 OD1 ASP A 484 35.113 17.950 -5.718 1.00 34.20 O ATOM 1098 OD2 ASP A 484 34.455 18.049 -7.812 1.00 21.22 O ATOM 0 H ASP A 484 34.074 14.469 -6.061 1.00 75.03 H new ATOM 0 HA ASP A 484 33.723 16.139 -4.635 1.00 35.15 H new ATOM 0 HB2 ASP A 484 32.262 17.167 -7.086 1.00 73.20 H new ATOM 0 HB3 ASP A 484 32.367 18.128 -5.625 1.00 73.20 H new ATOM 1103 N LYS A 485 31.538 14.863 -3.755 1.00 12.53 N ATOM 1104 CA LYS A 485 30.343 14.590 -2.964 1.00 72.12 C ATOM 1105 C LYS A 485 29.940 15.814 -2.148 1.00 15.11 C ATOM 1106 O LYS A 485 30.763 16.686 -1.869 1.00 32.30 O ATOM 1107 CB LYS A 485 30.585 13.401 -2.032 1.00 53.14 C ATOM 1108 CG LYS A 485 29.688 12.209 -2.322 1.00 70.01 C ATOM 1109 CD LYS A 485 30.449 10.899 -2.215 1.00 64.23 C ATOM 1110 CE LYS A 485 30.631 10.475 -0.766 1.00 1.43 C ATOM 1111 NZ LYS A 485 31.283 9.141 -0.655 1.00 50.31 N ATOM 0 H LYS A 485 32.301 14.203 -3.608 1.00 12.53 H new ATOM 0 HA LYS A 485 29.531 14.348 -3.650 1.00 72.12 H new ATOM 0 HB2 LYS A 485 31.626 13.090 -2.116 1.00 53.14 H new ATOM 0 HB3 LYS A 485 30.429 13.720 -1.001 1.00 53.14 H new ATOM 0 HG2 LYS A 485 28.852 12.203 -1.623 1.00 70.01 H new ATOM 0 HG3 LYS A 485 29.266 12.305 -3.322 1.00 70.01 H new ATOM 0 HD2 LYS A 485 29.913 10.121 -2.758 1.00 64.23 H new ATOM 0 HD3 LYS A 485 31.425 11.004 -2.689 1.00 64.23 H new ATOM 0 HE2 LYS A 485 31.233 11.218 -0.243 1.00 1.43 H new ATOM 0 HE3 LYS A 485 29.660 10.447 -0.271 1.00 1.43 H new ATOM 0 HZ1 LYS A 485 31.389 8.889 0.348 1.00 50.31 H new ATOM 0 HZ2 LYS A 485 30.696 8.427 -1.132 1.00 50.31 H new ATOM 0 HZ3 LYS A 485 32.220 9.174 -1.104 1.00 50.31 H new ATOM 1125 N LEU A 486 28.668 15.872 -1.767 1.00 3.42 N ATOM 1126 CA LEU A 486 28.155 16.989 -0.981 1.00 54.33 C ATOM 1127 C LEU A 486 27.816 16.546 0.438 1.00 61.03 C ATOM 1128 O LEU A 486 27.019 17.184 1.125 1.00 5.55 O ATOM 1129 CB LEU A 486 26.915 17.583 -1.652 1.00 53.03 C ATOM 1130 CG LEU A 486 26.657 19.068 -1.394 1.00 34.44 C ATOM 1131 CD1 LEU A 486 27.626 19.925 -2.193 1.00 52.32 C ATOM 1132 CD2 LEU A 486 25.218 19.427 -1.733 1.00 31.14 C ATOM 0 H LEU A 486 27.973 15.159 -1.990 1.00 3.42 H new ATOM 0 HA LEU A 486 28.932 17.751 -0.928 1.00 54.33 H new ATOM 0 HB2 LEU A 486 27.001 17.432 -2.728 1.00 53.03 H new ATOM 0 HB3 LEU A 486 26.042 17.020 -1.320 1.00 53.03 H new ATOM 0 HG LEU A 486 26.819 19.266 -0.334 1.00 34.44 H new ATOM 0 HD11 LEU A 486 27.427 20.979 -1.997 1.00 52.32 H new ATOM 0 HD12 LEU A 486 28.649 19.688 -1.900 1.00 52.32 H new ATOM 0 HD13 LEU A 486 27.498 19.724 -3.257 1.00 52.32 H new ATOM 0 HD21 LEU A 486 25.053 20.488 -1.543 1.00 31.14 H new ATOM 0 HD22 LEU A 486 25.028 19.213 -2.785 1.00 31.14 H new ATOM 0 HD23 LEU A 486 24.541 18.838 -1.114 1.00 31.14 H new ATOM 1144 N ALA A 487 28.428 15.449 0.872 1.00 34.20 N ATOM 1145 CA ALA A 487 28.194 14.922 2.211 1.00 24.03 C ATOM 1146 C ALA A 487 28.813 15.827 3.272 1.00 43.43 C ATOM 1147 O ALA A 487 28.417 15.794 4.436 1.00 24.12 O ATOM 1148 CB ALA A 487 28.752 13.511 2.328 1.00 2.32 C ATOM 0 H ALA A 487 29.090 14.908 0.316 1.00 34.20 H new ATOM 0 HA ALA A 487 27.118 14.890 2.380 1.00 24.03 H new ATOM 0 HB1 ALA A 487 28.570 13.130 3.333 1.00 2.32 H new ATOM 0 HB2 ALA A 487 28.261 12.864 1.601 1.00 2.32 H new ATOM 0 HB3 ALA A 487 29.825 13.527 2.134 1.00 2.32 H new ATOM 1154 N ALA A 488 29.786 16.634 2.861 1.00 54.14 N ATOM 1155 CA ALA A 488 30.459 17.548 3.776 1.00 54.42 C ATOM 1156 C ALA A 488 29.513 18.649 4.243 1.00 30.34 C ATOM 1157 O ALA A 488 29.678 19.200 5.332 1.00 55.40 O ATOM 1158 CB ALA A 488 31.687 18.151 3.111 1.00 11.22 C ATOM 0 H ALA A 488 30.126 16.673 1.900 1.00 54.14 H new ATOM 0 HA ALA A 488 30.776 16.981 4.651 1.00 54.42 H new ATOM 0 HB1 ALA A 488 32.180 18.831 3.806 1.00 11.22 H new ATOM 0 HB2 ALA A 488 32.377 17.355 2.832 1.00 11.22 H new ATOM 0 HB3 ALA A 488 31.385 18.699 2.219 1.00 11.22 H new ATOM 1164 N ALA A 489 28.523 18.965 3.415 1.00 1.22 N ATOM 1165 CA ALA A 489 27.552 20.000 3.745 1.00 14.44 C ATOM 1166 C ALA A 489 26.709 19.597 4.950 1.00 15.42 C ATOM 1167 O ALA A 489 26.247 20.449 5.711 1.00 31.32 O ATOM 1168 CB ALA A 489 26.658 20.287 2.547 1.00 64.03 C ATOM 0 H ALA A 489 28.372 18.519 2.510 1.00 1.22 H new ATOM 0 HA ALA A 489 28.099 20.907 4.003 1.00 14.44 H new ATOM 0 HB1 ALA A 489 25.938 21.062 2.808 1.00 64.03 H new ATOM 0 HB2 ALA A 489 27.269 20.626 1.710 1.00 64.03 H new ATOM 0 HB3 ALA A 489 26.127 19.378 2.264 1.00 64.03 H new ATOM 1174 N LEU A 490 26.510 18.294 5.118 1.00 23.44 N ATOM 1175 CA LEU A 490 25.722 17.778 6.232 1.00 1.41 C ATOM 1176 C LEU A 490 26.348 18.164 7.568 1.00 12.43 C ATOM 1177 O LEU A 490 25.645 18.360 8.560 1.00 63.14 O ATOM 1178 CB LEU A 490 25.600 16.257 6.134 1.00 31.40 C ATOM 1179 CG LEU A 490 24.606 15.727 5.099 1.00 25.43 C ATOM 1180 CD1 LEU A 490 25.064 14.381 4.559 1.00 4.14 C ATOM 1181 CD2 LEU A 490 23.215 15.617 5.704 1.00 42.11 C ATOM 0 H LEU A 490 26.883 17.576 4.497 1.00 23.44 H new ATOM 0 HA LEU A 490 24.728 18.221 6.177 1.00 1.41 H new ATOM 0 HB2 LEU A 490 26.584 15.848 5.905 1.00 31.40 H new ATOM 0 HB3 LEU A 490 25.314 15.872 7.113 1.00 31.40 H new ATOM 0 HG LEU A 490 24.564 16.432 4.269 1.00 25.43 H new ATOM 0 HD11 LEU A 490 24.344 14.020 3.824 1.00 4.14 H new ATOM 0 HD12 LEU A 490 26.040 14.491 4.087 1.00 4.14 H new ATOM 0 HD13 LEU A 490 25.136 13.666 5.378 1.00 4.14 H new ATOM 0 HD21 LEU A 490 22.521 15.238 4.954 1.00 42.11 H new ATOM 0 HD22 LEU A 490 23.240 14.933 6.553 1.00 42.11 H new ATOM 0 HD23 LEU A 490 22.886 16.600 6.040 1.00 42.11 H new ATOM 1193 N GLU A 491 27.673 18.275 7.586 1.00 40.40 N ATOM 1194 CA GLU A 491 28.393 18.640 8.800 1.00 13.44 C ATOM 1195 C GLU A 491 28.817 20.105 8.761 1.00 65.13 C ATOM 1196 O GLU A 491 29.773 20.504 9.426 1.00 25.24 O ATOM 1197 CB GLU A 491 29.621 17.746 8.979 1.00 61.30 C ATOM 1198 CG GLU A 491 29.970 17.477 10.433 1.00 62.40 C ATOM 1199 CD GLU A 491 30.563 16.097 10.645 1.00 61.43 C ATOM 1200 OE1 GLU A 491 31.305 15.629 9.756 1.00 74.44 O ATOM 1201 OE2 GLU A 491 30.284 15.487 11.698 1.00 64.44 O ATOM 0 H GLU A 491 28.269 18.117 6.773 1.00 40.40 H new ATOM 0 HA GLU A 491 27.722 18.497 9.647 1.00 13.44 H new ATOM 0 HB2 GLU A 491 29.445 16.796 8.474 1.00 61.30 H new ATOM 0 HB3 GLU A 491 30.475 18.214 8.489 1.00 61.30 H new ATOM 0 HG2 GLU A 491 30.679 18.230 10.778 1.00 62.40 H new ATOM 0 HG3 GLU A 491 29.073 17.581 11.043 1.00 62.40 H new ATOM 1208 N HIS A 492 28.100 20.903 7.976 1.00 40.11 N ATOM 1209 CA HIS A 492 28.402 22.324 7.850 1.00 44.33 C ATOM 1210 C HIS A 492 27.125 23.135 7.651 1.00 10.02 C ATOM 1211 O HIS A 492 26.041 22.575 7.488 1.00 35.05 O ATOM 1212 CB HIS A 492 29.358 22.562 6.680 1.00 31.20 C ATOM 1213 CG HIS A 492 30.636 23.235 7.078 1.00 53.35 C ATOM 1214 ND1 HIS A 492 31.850 22.952 6.489 1.00 53.13 N ATOM 1215 CD2 HIS A 492 30.883 24.183 8.011 1.00 42.33 C ATOM 1216 CE1 HIS A 492 32.790 23.696 7.044 1.00 42.45 C ATOM 1217 NE2 HIS A 492 32.229 24.454 7.970 1.00 73.34 N ATOM 0 H HIS A 492 27.306 20.590 7.418 1.00 40.11 H new ATOM 0 HA HIS A 492 28.880 22.652 8.773 1.00 44.33 H new ATOM 0 HB2 HIS A 492 29.591 21.606 6.212 1.00 31.20 H new ATOM 0 HB3 HIS A 492 28.855 23.171 5.929 1.00 31.20 H new ATOM 0 HD2 HIS A 492 30.157 24.641 8.666 1.00 42.33 H new ATOM 0 HE1 HIS A 492 33.838 23.686 6.785 1.00 42.45 H new ATOM 0 HE2 HIS A 492 32.716 25.130 8.558 1.00 73.34 H new ATOM 1225 N HIS A 493 27.261 24.457 7.667 1.00 1.53 N ATOM 1226 CA HIS A 493 26.118 25.346 7.490 1.00 41.43 C ATOM 1227 C HIS A 493 25.540 25.214 6.084 1.00 62.43 C ATOM 1228 O HIS A 493 26.004 24.398 5.286 1.00 53.45 O ATOM 1229 CB HIS A 493 26.526 26.796 7.750 1.00 23.31 C ATOM 1230 CG HIS A 493 25.612 27.516 8.693 1.00 75.22 C ATOM 1231 ND1 HIS A 493 26.024 28.565 9.488 1.00 54.33 N ATOM 1232 CD2 HIS A 493 24.299 27.334 8.964 1.00 52.55 C ATOM 1233 CE1 HIS A 493 25.004 28.995 10.209 1.00 5.41 C ATOM 1234 NE2 HIS A 493 23.944 28.265 9.909 1.00 4.31 N ATOM 0 H HIS A 493 28.151 24.936 7.801 1.00 1.53 H new ATOM 0 HA HIS A 493 25.351 25.058 8.209 1.00 41.43 H new ATOM 0 HB2 HIS A 493 27.538 26.813 8.154 1.00 23.31 H new ATOM 0 HB3 HIS A 493 26.552 27.333 6.802 1.00 23.31 H new ATOM 0 HD2 HIS A 493 23.650 26.594 8.519 1.00 52.55 H new ATOM 0 HE1 HIS A 493 25.032 29.805 10.922 1.00 5.41 H new ATOM 0 HE2 HIS A 493 23.014 28.375 10.313 1.00 4.31 H new ATOM 1242 N HIS A 494 24.525 26.019 5.787 1.00 21.43 N ATOM 1243 CA HIS A 494 23.884 25.992 4.478 1.00 22.30 C ATOM 1244 C HIS A 494 24.721 26.744 3.447 1.00 53.10 C ATOM 1245 O HIS A 494 25.721 27.376 3.787 1.00 42.50 O ATOM 1246 CB HIS A 494 22.484 26.602 4.559 1.00 60.33 C ATOM 1247 CG HIS A 494 22.487 28.074 4.831 1.00 24.51 C ATOM 1248 ND1 HIS A 494 22.689 29.020 3.848 1.00 10.31 N ATOM 1249 CD2 HIS A 494 22.310 28.762 5.983 1.00 33.21 C ATOM 1250 CE1 HIS A 494 22.638 30.227 4.385 1.00 73.12 C ATOM 1251 NE2 HIS A 494 22.408 30.098 5.679 1.00 75.22 N ATOM 0 H HIS A 494 24.129 26.699 6.436 1.00 21.43 H new ATOM 0 HA HIS A 494 23.801 24.952 4.163 1.00 22.30 H new ATOM 0 HB2 HIS A 494 21.961 26.415 3.621 1.00 60.33 H new ATOM 0 HB3 HIS A 494 21.921 26.097 5.344 1.00 60.33 H new ATOM 0 HD2 HIS A 494 22.126 28.339 6.960 1.00 33.21 H new ATOM 0 HE1 HIS A 494 22.763 31.160 3.855 1.00 73.12 H new ATOM 0 HE2 HIS A 494 22.318 30.866 6.345 1.00 75.22 H new ATOM 1259 N HIS A 495 24.305 26.671 2.187 1.00 75.43 N ATOM 1260 CA HIS A 495 25.016 27.344 1.107 1.00 63.22 C ATOM 1261 C HIS A 495 24.314 27.120 -0.229 1.00 62.25 C ATOM 1262 O HIS A 495 23.353 26.354 -0.316 1.00 41.52 O ATOM 1263 CB HIS A 495 26.459 26.844 1.028 1.00 3.34 C ATOM 1264 CG HIS A 495 27.462 27.940 0.830 1.00 70.50 C ATOM 1265 ND1 HIS A 495 28.359 27.959 -0.216 1.00 41.45 N ATOM 1266 CD2 HIS A 495 27.705 29.057 1.554 1.00 60.23 C ATOM 1267 CE1 HIS A 495 29.112 29.041 -0.128 1.00 71.04 C ATOM 1268 NE2 HIS A 495 28.736 29.724 0.937 1.00 14.34 N ATOM 0 H HIS A 495 23.479 26.152 1.889 1.00 75.43 H new ATOM 0 HA HIS A 495 25.021 28.413 1.320 1.00 63.22 H new ATOM 0 HB2 HIS A 495 26.699 26.304 1.944 1.00 3.34 H new ATOM 0 HB3 HIS A 495 26.544 26.132 0.207 1.00 3.34 H new ATOM 0 HD2 HIS A 495 27.186 29.366 2.449 1.00 60.23 H new ATOM 0 HE1 HIS A 495 29.901 29.319 -0.811 1.00 71.04 H new ATOM 0 HE2 HIS A 495 29.144 30.604 1.251 1.00 14.34 H new ATOM 1276 N HIS A 496 24.800 27.792 -1.268 1.00 53.21 N ATOM 1277 CA HIS A 496 24.219 27.665 -2.600 1.00 12.12 C ATOM 1278 C HIS A 496 25.166 26.926 -3.540 1.00 23.44 C ATOM 1279 O HIS A 496 26.387 27.018 -3.405 1.00 30.45 O ATOM 1280 CB HIS A 496 23.892 29.046 -3.170 1.00 51.32 C ATOM 1281 CG HIS A 496 25.048 29.997 -3.137 1.00 72.30 C ATOM 1282 ND1 HIS A 496 26.094 29.940 -4.033 1.00 64.14 N ATOM 1283 CD2 HIS A 496 25.319 31.033 -2.311 1.00 30.34 C ATOM 1284 CE1 HIS A 496 26.960 30.900 -3.758 1.00 51.01 C ATOM 1285 NE2 HIS A 496 26.512 31.578 -2.717 1.00 4.10 N ATOM 0 H HIS A 496 25.594 28.430 -1.213 1.00 53.21 H new ATOM 0 HA HIS A 496 23.299 27.087 -2.513 1.00 12.12 H new ATOM 0 HB2 HIS A 496 23.554 28.934 -4.200 1.00 51.32 H new ATOM 0 HB3 HIS A 496 23.063 29.475 -2.607 1.00 51.32 H new ATOM 0 HD2 HIS A 496 24.710 31.369 -1.485 1.00 30.34 H new ATOM 0 HE1 HIS A 496 27.877 31.096 -4.293 1.00 51.01 H new ATOM 0 HE2 HIS A 496 26.977 32.377 -2.285 1.00 4.10 H new ATOM 1293 N HIS A 497 24.598 26.192 -4.490 1.00 31.11 N ATOM 1294 CA HIS A 497 25.393 25.436 -5.451 1.00 44.33 C ATOM 1295 C HIS A 497 26.275 26.368 -6.279 1.00 54.40 C ATOM 1296 O HIS A 497 27.500 26.251 -6.265 1.00 44.34 O ATOM 1297 CB HIS A 497 24.482 24.626 -6.374 1.00 32.10 C ATOM 1298 CG HIS A 497 24.042 23.321 -5.785 1.00 13.33 C ATOM 1299 ND1 HIS A 497 24.307 22.103 -6.372 1.00 71.34 N ATOM 1300 CD2 HIS A 497 23.352 23.049 -4.652 1.00 45.30 C ATOM 1301 CE1 HIS A 497 23.798 21.137 -5.628 1.00 74.23 C ATOM 1302 NE2 HIS A 497 23.213 21.685 -4.578 1.00 30.41 N ATOM 0 H HIS A 497 23.590 26.104 -4.616 1.00 31.11 H new ATOM 0 HA HIS A 497 26.036 24.753 -4.896 1.00 44.33 H new ATOM 0 HB2 HIS A 497 23.602 25.221 -6.616 1.00 32.10 H new ATOM 0 HB3 HIS A 497 25.005 24.435 -7.311 1.00 32.10 H new ATOM 0 HD2 HIS A 497 22.980 23.770 -3.939 1.00 45.30 H new ATOM 0 HE1 HIS A 497 23.851 20.080 -5.842 1.00 74.23 H new ATOM 0 HE2 HIS A 497 22.736 21.177 -3.833 1.00 30.41 H new TER 1310 HIS A 497