USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 497 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 1 ALA N :NH3+ -156:sc= 1.13 (180deg=-0.519) USER MOD Set 1.2: A 56 HIS : no HE2:sc= 0.19 K(o=1.3,f=-9.5!) USER MOD Set 2.1: A 8 CYS SG : rot -9:sc= 0.0735 USER MOD Set 2.2: A 31 GLN : amide:sc= -0.587 K(o=0.77,f=2.3) USER MOD Set 2.3: A 33 TYR OH : rot 49:sc= 1.29 USER MOD Set 3.1: A 20 CYS SG : rot 170:sc= -0.133 USER MOD Set 3.2: A 24 CYS SG : rot 136:sc= 0.244 USER MOD Single : A 2 TYR OH : rot 89:sc= 1.29 USER MOD Single : A 5 THR OG1 : rot -63:sc= 1.16 USER MOD Single : A 16 CYS SG : rot -9:sc= -0.21 USER MOD Single : A 26 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-0.75) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 150:sc= 0.274 USER MOD Single : A 42 CYS SG : rot 160:sc= -0.239 USER MOD Single : A 45 CYS SG : rot -2:sc= 0.0827 USER MOD Single : A 49 CYS SG : rot 110:sc= -0.411 USER MOD Single : A 52 SER OG : rot -37:sc= 1.07 USER MOD Single : A 55 TYR OH : rot 66:sc= 1.08 USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= 1.93! (180deg=1.32!) USER MOD Single : A 66 SER OG : rot 93:sc= 1.2 USER MOD Single : A 67 TYR OH : rot -163:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= 0.616 K(o=0.62,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= 1.26 (180deg=1.07) USER MOD Single : A 71 ASN : amide:sc= -2.19! C(o=-2.2!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.750 -4.520 8.959 1.00 0.00 N ATOM 2 CA ALA A 1 -0.906 -3.636 8.139 1.00 0.00 C ATOM 3 C ALA A 1 -1.732 -3.197 6.944 1.00 0.00 C ATOM 4 O ALA A 1 -2.543 -3.990 6.464 1.00 0.00 O ATOM 5 CB ALA A 1 0.371 -4.325 7.674 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.407 -4.515 9.941 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.733 -4.182 8.934 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.707 -5.488 8.582 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.593 -2.781 8.738 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.960 -3.632 7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.952 -4.637 8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.115 -5.199 7.075 1.00 0.00 H new ATOM 12 N TYR A 2 -1.540 -1.963 6.485 1.00 0.00 N ATOM 13 CA TYR A 2 -2.227 -1.409 5.335 1.00 0.00 C ATOM 14 C TYR A 2 -1.423 -1.728 4.081 1.00 0.00 C ATOM 15 O TYR A 2 -0.196 -1.646 4.099 1.00 0.00 O ATOM 16 CB TYR A 2 -2.408 0.091 5.532 1.00 0.00 C ATOM 17 CG TYR A 2 -3.509 0.442 6.509 1.00 0.00 C ATOM 18 CD1 TYR A 2 -3.230 0.549 7.883 1.00 0.00 C ATOM 19 CD2 TYR A 2 -4.810 0.696 6.037 1.00 0.00 C ATOM 20 CE1 TYR A 2 -4.204 1.057 8.759 1.00 0.00 C ATOM 21 CE2 TYR A 2 -5.790 1.179 6.918 1.00 0.00 C ATOM 22 CZ TYR A 2 -5.459 1.438 8.259 1.00 0.00 C ATOM 23 OH TYR A 2 -6.274 2.226 9.009 1.00 0.00 O ATOM 0 H TYR A 2 -0.886 -1.310 6.917 1.00 0.00 H new ATOM 0 HA TYR A 2 -3.218 -1.850 5.223 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.470 0.519 5.885 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -2.627 0.552 4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -2.268 0.241 8.265 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.054 0.520 5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -3.988 1.154 9.813 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -6.796 1.351 6.566 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.083 3.168 8.820 1.00 0.00 H new ATOM 33 N VAL A 3 -2.110 -2.154 3.022 1.00 0.00 N ATOM 34 CA VAL A 3 -1.476 -2.758 1.860 1.00 0.00 C ATOM 35 C VAL A 3 -2.083 -2.189 0.583 1.00 0.00 C ATOM 36 O VAL A 3 -3.201 -1.676 0.566 1.00 0.00 O ATOM 37 CB VAL A 3 -1.591 -4.292 1.939 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.397 -4.944 1.231 1.00 0.00 C ATOM 39 CG2 VAL A 3 -1.673 -4.828 3.379 1.00 0.00 C ATOM 0 H VAL A 3 -3.125 -2.088 2.949 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.413 -2.515 1.846 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.527 -4.552 1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.486 -6.029 1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.383 -4.639 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.528 -4.629 1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.752 -5.915 3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.775 -4.540 3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.550 -4.410 3.874 1.00 0.00 H new ATOM 49 N ILE A 4 -1.303 -2.245 -0.492 1.00 0.00 N ATOM 50 CA ILE A 4 -1.695 -1.720 -1.783 1.00 0.00 C ATOM 51 C ILE A 4 -2.865 -2.539 -2.339 1.00 0.00 C ATOM 52 O ILE A 4 -3.039 -3.699 -1.964 1.00 0.00 O ATOM 53 CB ILE A 4 -0.446 -1.778 -2.697 1.00 0.00 C ATOM 54 CG1 ILE A 4 -0.331 -0.572 -3.637 1.00 0.00 C ATOM 55 CG2 ILE A 4 -0.406 -3.057 -3.521 1.00 0.00 C ATOM 56 CD1 ILE A 4 0.140 0.675 -2.888 1.00 0.00 C ATOM 0 H ILE A 4 -0.372 -2.662 -0.485 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.041 -0.689 -1.715 1.00 0.00 H new ATOM 0 HB ILE A 4 0.405 -1.758 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.368 -0.801 -4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.298 -0.376 -4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.485 -3.058 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.381 -3.919 -2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.293 -3.111 -4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.211 1.512 -3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.573 0.917 -2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.118 0.486 -2.446 1.00 0.00 H new ATOM 68 N THR A 5 -3.618 -1.981 -3.289 1.00 0.00 N ATOM 69 CA THR A 5 -4.470 -2.770 -4.158 1.00 0.00 C ATOM 70 C THR A 5 -4.454 -2.186 -5.567 1.00 0.00 C ATOM 71 O THR A 5 -3.988 -1.066 -5.789 1.00 0.00 O ATOM 72 CB THR A 5 -5.912 -2.830 -3.637 1.00 0.00 C ATOM 73 OG1 THR A 5 -6.462 -1.537 -3.526 1.00 0.00 O ATOM 74 CG2 THR A 5 -6.065 -3.564 -2.310 1.00 0.00 C ATOM 0 H THR A 5 -3.649 -0.978 -3.471 1.00 0.00 H new ATOM 0 HA THR A 5 -4.078 -3.787 -4.175 1.00 0.00 H new ATOM 0 HB THR A 5 -6.460 -3.409 -4.381 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.951 -1.019 -2.869 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.113 -3.562 -2.012 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.722 -4.593 -2.421 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.469 -3.063 -1.547 1.00 0.00 H new ATOM 82 N GLU A 6 -5.022 -2.972 -6.486 1.00 0.00 N ATOM 83 CA GLU A 6 -5.355 -2.646 -7.861 1.00 0.00 C ATOM 84 C GLU A 6 -5.432 -1.140 -8.177 1.00 0.00 C ATOM 85 O GLU A 6 -4.594 -0.668 -8.942 1.00 0.00 O ATOM 86 CB GLU A 6 -6.591 -3.454 -8.249 1.00 0.00 C ATOM 87 CG GLU A 6 -7.011 -3.355 -9.719 1.00 0.00 C ATOM 88 CD GLU A 6 -6.130 -4.180 -10.656 1.00 0.00 C ATOM 89 OE1 GLU A 6 -5.235 -4.890 -10.145 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.375 -4.086 -11.876 1.00 0.00 O ATOM 0 H GLU A 6 -5.279 -3.933 -6.260 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.525 -2.941 -8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.407 -4.502 -8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.426 -3.128 -7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.045 -3.687 -9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.981 -2.310 -10.029 1.00 0.00 H new ATOM 97 N PRO A 7 -6.387 -0.366 -7.624 1.00 0.00 N ATOM 98 CA PRO A 7 -6.610 1.025 -8.008 1.00 0.00 C ATOM 99 C PRO A 7 -5.381 1.942 -7.984 1.00 0.00 C ATOM 100 O PRO A 7 -5.386 2.942 -8.697 1.00 0.00 O ATOM 101 CB PRO A 7 -7.733 1.555 -7.105 1.00 0.00 C ATOM 102 CG PRO A 7 -7.847 0.520 -5.987 1.00 0.00 C ATOM 103 CD PRO A 7 -7.424 -0.766 -6.686 1.00 0.00 C ATOM 0 HA PRO A 7 -6.881 1.037 -9.064 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.492 2.542 -6.709 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -8.670 1.652 -7.653 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.196 0.758 -5.146 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.862 0.455 -5.596 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.047 -1.497 -5.971 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.265 -1.229 -7.202 1.00 0.00 H new ATOM 111 N CYS A 8 -4.342 1.648 -7.192 1.00 0.00 N ATOM 112 CA CYS A 8 -3.131 2.462 -7.238 1.00 0.00 C ATOM 113 C CYS A 8 -2.421 2.313 -8.595 1.00 0.00 C ATOM 114 O CYS A 8 -1.864 3.290 -9.101 1.00 0.00 O ATOM 115 CB CYS A 8 -2.219 2.108 -6.091 1.00 0.00 C ATOM 116 SG CYS A 8 -0.572 2.870 -6.181 1.00 0.00 S ATOM 0 H CYS A 8 -4.318 0.873 -6.530 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.410 3.510 -7.132 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.695 2.409 -5.158 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.104 1.025 -6.055 1.00 0.00 H new ATOM 0 HG CYS A 8 -0.424 3.449 -7.336 1.00 0.00 H new ATOM 121 N ILE A 9 -2.424 1.104 -9.184 1.00 0.00 N ATOM 122 CA ILE A 9 -1.665 0.783 -10.387 1.00 0.00 C ATOM 123 C ILE A 9 -1.826 1.884 -11.429 1.00 0.00 C ATOM 124 O ILE A 9 -2.939 2.220 -11.829 1.00 0.00 O ATOM 125 CB ILE A 9 -2.034 -0.598 -10.943 1.00 0.00 C ATOM 126 CG1 ILE A 9 -1.543 -1.652 -9.942 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.362 -0.823 -12.313 1.00 0.00 C ATOM 128 CD1 ILE A 9 -2.005 -3.071 -10.234 1.00 0.00 C ATOM 0 H ILE A 9 -2.965 0.317 -8.826 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.610 0.732 -10.118 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.113 -0.671 -11.080 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.453 -1.636 -9.924 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.883 -1.372 -8.945 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.634 -1.807 -12.694 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.697 -0.058 -13.013 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.279 -0.763 -12.201 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.610 -3.746 -9.475 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.094 -3.109 -10.221 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.643 -3.377 -11.215 1.00 0.00 H new ATOM 140 N GLY A 10 -0.697 2.451 -11.843 1.00 0.00 N ATOM 141 CA GLY A 10 -0.624 3.593 -12.721 1.00 0.00 C ATOM 142 C GLY A 10 0.010 4.771 -11.992 1.00 0.00 C ATOM 143 O GLY A 10 0.947 5.369 -12.522 1.00 0.00 O ATOM 0 H GLY A 10 0.221 2.108 -11.560 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.038 3.345 -13.606 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.623 3.862 -13.065 1.00 0.00 H new ATOM 216 N CYS A 16 2.459 8.253 -1.534 1.00 0.00 N ATOM 217 CA CYS A 16 2.250 7.865 -0.137 1.00 0.00 C ATOM 218 C CYS A 16 3.590 7.555 0.571 1.00 0.00 C ATOM 219 O CYS A 16 3.709 6.592 1.323 1.00 0.00 O ATOM 220 CB CYS A 16 1.274 6.706 -0.084 1.00 0.00 C ATOM 221 SG CYS A 16 1.568 5.337 -1.244 1.00 0.00 S ATOM 0 HA CYS A 16 1.815 8.700 0.413 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.281 6.302 0.928 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.272 7.096 -0.265 1.00 0.00 H new ATOM 0 HG CYS A 16 2.490 5.679 -2.094 1.00 0.00 H new ATOM 226 N VAL A 17 4.603 8.401 0.373 1.00 0.00 N ATOM 227 CA VAL A 17 5.934 8.311 0.972 1.00 0.00 C ATOM 228 C VAL A 17 6.117 9.555 1.849 1.00 0.00 C ATOM 229 O VAL A 17 5.316 10.484 1.729 1.00 0.00 O ATOM 230 CB VAL A 17 6.968 8.181 -0.167 1.00 0.00 C ATOM 231 CG1 VAL A 17 7.066 9.439 -1.045 1.00 0.00 C ATOM 232 CG2 VAL A 17 8.363 7.781 0.326 1.00 0.00 C ATOM 0 H VAL A 17 4.511 9.209 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 17 6.068 7.437 1.609 1.00 0.00 H new ATOM 0 HB VAL A 17 6.583 7.369 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.810 9.281 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.097 9.640 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.360 10.290 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.042 7.707 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.733 8.534 1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.308 6.817 0.831 1.00 0.00 H new ATOM 242 N GLU A 18 7.087 9.577 2.772 1.00 0.00 N ATOM 243 CA GLU A 18 7.394 10.666 3.705 1.00 0.00 C ATOM 244 C GLU A 18 6.357 10.766 4.828 1.00 0.00 C ATOM 245 O GLU A 18 6.699 10.986 5.989 1.00 0.00 O ATOM 246 CB GLU A 18 7.623 12.003 2.982 1.00 0.00 C ATOM 247 CG GLU A 18 9.111 12.288 2.730 1.00 0.00 C ATOM 248 CD GLU A 18 9.341 13.663 2.109 1.00 0.00 C ATOM 249 OE1 GLU A 18 8.433 14.130 1.388 1.00 0.00 O ATOM 250 OE2 GLU A 18 10.421 14.230 2.376 1.00 0.00 O ATOM 0 H GLU A 18 7.717 8.784 2.894 1.00 0.00 H new ATOM 0 HA GLU A 18 8.341 10.419 4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.092 11.993 2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.197 12.811 3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.656 12.222 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.519 11.521 2.071 1.00 0.00 H new ATOM 257 N VAL A 19 5.078 10.609 4.492 1.00 0.00 N ATOM 258 CA VAL A 19 3.986 10.667 5.450 1.00 0.00 C ATOM 259 C VAL A 19 4.038 9.487 6.427 1.00 0.00 C ATOM 260 O VAL A 19 3.593 9.611 7.567 1.00 0.00 O ATOM 261 CB VAL A 19 2.630 10.766 4.728 1.00 0.00 C ATOM 262 CG1 VAL A 19 2.585 12.006 3.823 1.00 0.00 C ATOM 263 CG2 VAL A 19 2.284 9.519 3.901 1.00 0.00 C ATOM 0 H VAL A 19 4.772 10.436 3.535 1.00 0.00 H new ATOM 0 HA VAL A 19 4.102 11.572 6.046 1.00 0.00 H new ATOM 0 HB VAL A 19 1.881 10.848 5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.618 12.056 3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.728 12.902 4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.377 11.941 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.316 9.658 3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.048 9.364 3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.242 8.648 4.556 1.00 0.00 H new ATOM 273 N CYS A 20 4.544 8.332 5.980 1.00 0.00 N ATOM 274 CA CYS A 20 4.533 7.108 6.763 1.00 0.00 C ATOM 275 C CYS A 20 5.610 7.157 7.855 1.00 0.00 C ATOM 276 O CYS A 20 6.792 7.256 7.529 1.00 0.00 O ATOM 277 CB CYS A 20 4.715 5.931 5.840 1.00 0.00 C ATOM 278 SG CYS A 20 4.973 4.304 6.602 1.00 0.00 S ATOM 0 H CYS A 20 4.973 8.228 5.060 1.00 0.00 H new ATOM 0 HA CYS A 20 3.575 7.000 7.271 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.836 5.867 5.199 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.567 6.139 5.193 1.00 0.00 H new ATOM 0 HG CYS A 20 4.898 3.381 5.690 1.00 0.00 H new ATOM 283 N PRO A 21 5.238 7.056 9.146 1.00 0.00 N ATOM 284 CA PRO A 21 6.170 7.081 10.268 1.00 0.00 C ATOM 285 C PRO A 21 7.404 6.190 10.104 1.00 0.00 C ATOM 286 O PRO A 21 8.455 6.503 10.660 1.00 0.00 O ATOM 287 CB PRO A 21 5.351 6.637 11.483 1.00 0.00 C ATOM 288 CG PRO A 21 3.953 7.146 11.156 1.00 0.00 C ATOM 289 CD PRO A 21 3.871 6.951 9.644 1.00 0.00 C ATOM 0 HA PRO A 21 6.585 8.085 10.361 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.368 5.554 11.608 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.733 7.070 12.408 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.183 6.580 11.680 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.827 8.192 11.437 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.441 5.980 9.399 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.231 7.707 9.188 1.00 0.00 H new ATOM 297 N VAL A 22 7.264 5.064 9.396 1.00 0.00 N ATOM 298 CA VAL A 22 8.315 4.069 9.230 1.00 0.00 C ATOM 299 C VAL A 22 8.825 4.017 7.777 1.00 0.00 C ATOM 300 O VAL A 22 9.667 3.176 7.475 1.00 0.00 O ATOM 301 CB VAL A 22 7.781 2.724 9.773 1.00 0.00 C ATOM 302 CG1 VAL A 22 6.639 2.140 8.928 1.00 0.00 C ATOM 303 CG2 VAL A 22 8.883 1.680 9.982 1.00 0.00 C ATOM 0 H VAL A 22 6.398 4.819 8.915 1.00 0.00 H new ATOM 0 HA VAL A 22 9.202 4.335 9.806 1.00 0.00 H new ATOM 0 HB VAL A 22 7.370 2.969 10.752 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.310 1.196 9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.805 2.841 8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.991 1.967 7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.444 0.759 10.364 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.379 1.479 9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.612 2.059 10.698 1.00 0.00 H new ATOM 313 N ASP A 23 8.328 4.902 6.894 1.00 0.00 N ATOM 314 CA ASP A 23 8.544 4.911 5.442 1.00 0.00 C ATOM 315 C ASP A 23 8.880 3.530 4.864 1.00 0.00 C ATOM 316 O ASP A 23 9.945 3.301 4.290 1.00 0.00 O ATOM 317 CB ASP A 23 9.488 6.043 5.007 1.00 0.00 C ATOM 318 CG ASP A 23 8.847 7.173 4.202 1.00 0.00 C ATOM 319 OD1 ASP A 23 7.852 6.950 3.477 1.00 0.00 O ATOM 320 OD2 ASP A 23 9.407 8.282 4.274 1.00 0.00 O ATOM 0 H ASP A 23 7.731 5.672 7.195 1.00 0.00 H new ATOM 0 HA ASP A 23 7.585 5.148 4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.945 6.472 5.899 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.293 5.611 4.413 1.00 0.00 H new ATOM 325 N CYS A 24 7.929 2.603 4.990 1.00 0.00 N ATOM 326 CA CYS A 24 8.057 1.253 4.446 1.00 0.00 C ATOM 327 C CYS A 24 7.399 1.130 3.070 1.00 0.00 C ATOM 328 O CYS A 24 7.068 0.028 2.630 1.00 0.00 O ATOM 329 CB CYS A 24 7.519 0.217 5.432 1.00 0.00 C ATOM 330 SG CYS A 24 5.713 0.274 5.539 1.00 0.00 S ATOM 0 H CYS A 24 7.047 2.769 5.474 1.00 0.00 H new ATOM 0 HA CYS A 24 9.118 1.051 4.302 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.834 -0.779 5.122 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.948 0.395 6.418 1.00 0.00 H new ATOM 0 HG CYS A 24 5.239 -0.937 5.529 1.00 0.00 H new ATOM 336 N ILE A 25 7.226 2.264 2.382 1.00 0.00 N ATOM 337 CA ILE A 25 6.718 2.332 1.026 1.00 0.00 C ATOM 338 C ILE A 25 7.921 2.248 0.097 1.00 0.00 C ATOM 339 O ILE A 25 8.833 3.067 0.194 1.00 0.00 O ATOM 340 CB ILE A 25 5.895 3.618 0.812 1.00 0.00 C ATOM 341 CG1 ILE A 25 4.653 3.606 1.716 1.00 0.00 C ATOM 342 CG2 ILE A 25 5.414 3.724 -0.644 1.00 0.00 C ATOM 343 CD1 ILE A 25 4.880 4.183 3.108 1.00 0.00 C ATOM 0 H ILE A 25 7.445 3.180 2.773 1.00 0.00 H new ATOM 0 HA ILE A 25 6.035 1.509 0.816 1.00 0.00 H new ATOM 0 HB ILE A 25 6.538 4.464 1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.858 4.170 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.301 2.579 1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.836 4.639 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.276 3.744 -1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.789 2.864 -0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.952 4.135 3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.650 3.606 3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.201 5.221 3.024 1.00 0.00 H new ATOM 355 N HIS A 26 7.947 1.236 -0.768 1.00 0.00 N ATOM 356 CA HIS A 26 9.068 0.942 -1.630 1.00 0.00 C ATOM 357 C HIS A 26 8.554 0.624 -3.028 1.00 0.00 C ATOM 358 O HIS A 26 7.473 0.064 -3.178 1.00 0.00 O ATOM 359 CB HIS A 26 9.766 -0.272 -1.049 1.00 0.00 C ATOM 360 CG HIS A 26 10.268 -0.080 0.359 1.00 0.00 C ATOM 361 ND1 HIS A 26 11.060 0.956 0.799 1.00 0.00 N ATOM 362 CD2 HIS A 26 9.919 -0.830 1.449 1.00 0.00 C ATOM 363 CE1 HIS A 26 11.206 0.814 2.127 1.00 0.00 C ATOM 364 NE2 HIS A 26 10.539 -0.266 2.567 1.00 0.00 N ATOM 0 H HIS A 26 7.167 0.589 -0.884 1.00 0.00 H new ATOM 0 HA HIS A 26 9.753 1.787 -1.695 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.077 -1.116 -1.065 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.607 -0.535 -1.690 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.280 -1.701 1.446 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.781 1.478 2.755 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.494 -0.607 3.527 1.00 0.00 H new ATOM 372 N GLU A 27 9.307 0.994 -4.054 1.00 0.00 N ATOM 373 CA GLU A 27 8.843 0.961 -5.422 1.00 0.00 C ATOM 374 C GLU A 27 8.770 -0.471 -5.953 1.00 0.00 C ATOM 375 O GLU A 27 9.549 -1.328 -5.533 1.00 0.00 O ATOM 376 CB GLU A 27 9.763 1.808 -6.322 1.00 0.00 C ATOM 377 CG GLU A 27 10.243 3.140 -5.728 1.00 0.00 C ATOM 378 CD GLU A 27 11.569 3.034 -4.976 1.00 0.00 C ATOM 379 OE1 GLU A 27 11.559 2.419 -3.886 1.00 0.00 O ATOM 380 OE2 GLU A 27 12.568 3.559 -5.510 1.00 0.00 O ATOM 0 H GLU A 27 10.266 1.328 -3.953 1.00 0.00 H new ATOM 0 HA GLU A 27 7.837 1.381 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.638 1.211 -6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.236 2.017 -7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.348 3.869 -6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.480 3.521 -5.049 1.00 0.00 H new ATOM 387 N GLY A 28 7.879 -0.722 -6.917 1.00 0.00 N ATOM 388 CA GLY A 28 7.981 -1.907 -7.762 1.00 0.00 C ATOM 389 C GLY A 28 7.840 -1.551 -9.235 1.00 0.00 C ATOM 390 O GLY A 28 8.360 -0.528 -9.672 1.00 0.00 O ATOM 0 H GLY A 28 7.083 -0.120 -7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.941 -2.394 -7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.207 -2.623 -7.483 1.00 0.00 H new ATOM 394 N GLU A 29 7.187 -2.425 -10.003 1.00 0.00 N ATOM 395 CA GLU A 29 7.192 -2.414 -11.449 1.00 0.00 C ATOM 396 C GLU A 29 6.690 -1.075 -11.990 1.00 0.00 C ATOM 397 O GLU A 29 7.411 -0.356 -12.677 1.00 0.00 O ATOM 398 CB GLU A 29 6.322 -3.582 -11.941 1.00 0.00 C ATOM 399 CG GLU A 29 6.819 -4.962 -11.475 1.00 0.00 C ATOM 400 CD GLU A 29 6.179 -5.451 -10.181 1.00 0.00 C ATOM 401 OE1 GLU A 29 5.723 -4.595 -9.391 1.00 0.00 O ATOM 402 OE2 GLU A 29 6.135 -6.685 -9.988 1.00 0.00 O ATOM 0 H GLU A 29 6.624 -3.181 -9.613 1.00 0.00 H new ATOM 0 HA GLU A 29 8.210 -2.537 -11.819 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.301 -3.436 -11.590 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.290 -3.566 -13.030 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.624 -5.691 -12.262 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.900 -4.920 -11.340 1.00 0.00 H new ATOM 409 N ASP A 30 5.425 -0.782 -11.690 1.00 0.00 N ATOM 410 CA ASP A 30 4.729 0.427 -12.091 1.00 0.00 C ATOM 411 C ASP A 30 4.487 1.334 -10.881 1.00 0.00 C ATOM 412 O ASP A 30 4.832 2.518 -10.890 1.00 0.00 O ATOM 413 CB ASP A 30 3.395 0.026 -12.723 1.00 0.00 C ATOM 414 CG ASP A 30 2.540 1.265 -12.878 1.00 0.00 C ATOM 415 OD1 ASP A 30 2.804 2.044 -13.819 1.00 0.00 O ATOM 416 OD2 ASP A 30 1.758 1.539 -11.948 1.00 0.00 O ATOM 0 H ASP A 30 4.839 -1.409 -11.139 1.00 0.00 H new ATOM 0 HA ASP A 30 5.334 0.980 -12.809 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.562 -0.442 -13.693 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.886 -0.708 -12.098 1.00 0.00 H new ATOM 421 N GLN A 31 3.806 0.779 -9.883 1.00 0.00 N ATOM 422 CA GLN A 31 3.377 1.473 -8.680 1.00 0.00 C ATOM 423 C GLN A 31 4.386 1.228 -7.559 1.00 0.00 C ATOM 424 O GLN A 31 5.358 0.481 -7.721 1.00 0.00 O ATOM 425 CB GLN A 31 1.968 0.994 -8.283 1.00 0.00 C ATOM 426 CG GLN A 31 1.849 -0.538 -8.335 1.00 0.00 C ATOM 427 CD GLN A 31 0.789 -1.126 -7.404 1.00 0.00 C ATOM 428 OE1 GLN A 31 0.925 -2.250 -6.929 1.00 0.00 O ATOM 429 NE2 GLN A 31 -0.286 -0.396 -7.149 1.00 0.00 N ATOM 0 H GLN A 31 3.529 -0.203 -9.893 1.00 0.00 H new ATOM 0 HA GLN A 31 3.331 2.546 -8.865 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.736 1.342 -7.277 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.231 1.439 -8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.621 -0.837 -9.358 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.816 -0.973 -8.084 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.378 0.535 -7.554 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.022 -0.765 -6.547 1.00 0.00 H new ATOM 438 N TYR A 32 4.125 1.832 -6.400 1.00 0.00 N ATOM 439 CA TYR A 32 4.809 1.461 -5.179 1.00 0.00 C ATOM 440 C TYR A 32 4.081 0.296 -4.519 1.00 0.00 C ATOM 441 O TYR A 32 2.939 -0.018 -4.845 1.00 0.00 O ATOM 442 CB TYR A 32 4.895 2.641 -4.202 1.00 0.00 C ATOM 443 CG TYR A 32 5.262 3.979 -4.809 1.00 0.00 C ATOM 444 CD1 TYR A 32 6.599 4.409 -4.859 1.00 0.00 C ATOM 445 CD2 TYR A 32 4.238 4.857 -5.200 1.00 0.00 C ATOM 446 CE1 TYR A 32 6.907 5.709 -5.307 1.00 0.00 C ATOM 447 CE2 TYR A 32 4.537 6.173 -5.574 1.00 0.00 C ATOM 448 CZ TYR A 32 5.871 6.604 -5.637 1.00 0.00 C ATOM 449 OH TYR A 32 6.156 7.885 -6.012 1.00 0.00 O ATOM 0 H TYR A 32 3.442 2.581 -6.289 1.00 0.00 H new ATOM 0 HA TYR A 32 5.826 1.164 -5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.932 2.743 -3.701 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.630 2.399 -3.434 1.00 0.00 H new ATOM 0 HD1 TYR A 32 7.392 3.742 -4.554 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.214 4.515 -5.212 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.938 6.019 -5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.738 6.859 -5.815 1.00 0.00 H new ATOM 0 HH TYR A 32 5.322 8.363 -6.205 1.00 0.00 H new ATOM 459 N TYR A 33 4.776 -0.316 -3.568 1.00 0.00 N ATOM 460 CA TYR A 33 4.285 -1.334 -2.657 1.00 0.00 C ATOM 461 C TYR A 33 4.636 -0.867 -1.242 1.00 0.00 C ATOM 462 O TYR A 33 5.354 0.117 -1.065 1.00 0.00 O ATOM 463 CB TYR A 33 4.958 -2.679 -2.961 1.00 0.00 C ATOM 464 CG TYR A 33 4.686 -3.196 -4.362 1.00 0.00 C ATOM 465 CD1 TYR A 33 5.248 -2.551 -5.478 1.00 0.00 C ATOM 466 CD2 TYR A 33 3.706 -4.183 -4.561 1.00 0.00 C ATOM 467 CE1 TYR A 33 4.744 -2.799 -6.764 1.00 0.00 C ATOM 468 CE2 TYR A 33 3.217 -4.449 -5.849 1.00 0.00 C ATOM 469 CZ TYR A 33 3.752 -3.771 -6.956 1.00 0.00 C ATOM 470 OH TYR A 33 3.436 -4.188 -8.212 1.00 0.00 O ATOM 0 H TYR A 33 5.759 -0.098 -3.405 1.00 0.00 H new ATOM 0 HA TYR A 33 3.209 -1.473 -2.762 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.034 -2.575 -2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.615 -3.418 -2.238 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.070 -1.863 -5.345 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.327 -4.740 -3.717 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.121 -2.240 -7.608 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.430 -5.175 -5.989 1.00 0.00 H new ATOM 0 HH TYR A 33 4.257 -4.406 -8.701 1.00 0.00 H new ATOM 480 N ILE A 34 4.141 -1.585 -0.239 1.00 0.00 N ATOM 481 CA ILE A 34 4.300 -1.273 1.179 1.00 0.00 C ATOM 482 C ILE A 34 4.771 -2.559 1.838 1.00 0.00 C ATOM 483 O ILE A 34 4.179 -3.594 1.549 1.00 0.00 O ATOM 484 CB ILE A 34 2.938 -0.861 1.792 1.00 0.00 C ATOM 485 CG1 ILE A 34 2.315 0.314 1.012 1.00 0.00 C ATOM 486 CG2 ILE A 34 3.084 -0.525 3.293 1.00 0.00 C ATOM 487 CD1 ILE A 34 0.889 0.671 1.436 1.00 0.00 C ATOM 0 H ILE A 34 3.597 -2.433 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 34 5.001 -0.452 1.325 1.00 0.00 H new ATOM 0 HB ILE A 34 2.260 -1.710 1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.948 1.192 1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.314 0.069 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.113 -0.239 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.457 -1.399 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.785 0.301 3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.530 1.507 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.238 -0.190 1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.882 0.951 2.489 1.00 0.00 H new ATOM 499 N ASP A 35 5.780 -2.546 2.715 1.00 0.00 N ATOM 500 CA ASP A 35 6.035 -3.722 3.535 1.00 0.00 C ATOM 501 C ASP A 35 4.938 -3.838 4.599 1.00 0.00 C ATOM 502 O ASP A 35 4.882 -2.985 5.492 1.00 0.00 O ATOM 503 CB ASP A 35 7.422 -3.716 4.178 1.00 0.00 C ATOM 504 CG ASP A 35 7.618 -5.020 4.939 1.00 0.00 C ATOM 505 OD1 ASP A 35 6.859 -5.221 5.913 1.00 0.00 O ATOM 506 OD2 ASP A 35 8.475 -5.818 4.511 1.00 0.00 O ATOM 0 H ASP A 35 6.411 -1.760 2.869 1.00 0.00 H new ATOM 0 HA ASP A 35 6.016 -4.594 2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.191 -3.606 3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.521 -2.867 4.854 1.00 0.00 H new ATOM 511 N PRO A 36 4.063 -4.862 4.543 1.00 0.00 N ATOM 512 CA PRO A 36 2.927 -4.943 5.431 1.00 0.00 C ATOM 513 C PRO A 36 3.225 -5.918 6.580 1.00 0.00 C ATOM 514 O PRO A 36 2.320 -6.585 7.087 1.00 0.00 O ATOM 515 CB PRO A 36 1.818 -5.454 4.517 1.00 0.00 C ATOM 516 CG PRO A 36 2.559 -6.511 3.697 1.00 0.00 C ATOM 517 CD PRO A 36 4.006 -5.993 3.619 1.00 0.00 C ATOM 0 HA PRO A 36 2.665 -4.000 5.912 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.987 -5.880 5.079 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.407 -4.663 3.890 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.513 -7.489 4.176 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.123 -6.621 2.704 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.717 -6.769 3.903 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.259 -5.685 2.605 1.00 0.00 H new ATOM 525 N ASP A 37 4.498 -6.046 6.958 1.00 0.00 N ATOM 526 CA ASP A 37 4.949 -6.619 8.218 1.00 0.00 C ATOM 527 C ASP A 37 5.518 -5.491 9.088 1.00 0.00 C ATOM 528 O ASP A 37 5.239 -5.418 10.281 1.00 0.00 O ATOM 529 CB ASP A 37 5.986 -7.714 7.931 1.00 0.00 C ATOM 530 CG ASP A 37 5.986 -8.786 9.006 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.089 -9.658 8.896 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.865 -8.744 9.887 1.00 0.00 O ATOM 0 H ASP A 37 5.271 -5.739 6.367 1.00 0.00 H new ATOM 0 HA ASP A 37 4.126 -7.084 8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.775 -8.170 6.963 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.978 -7.267 7.864 1.00 0.00 H new ATOM 537 N VAL A 38 6.267 -4.572 8.469 1.00 0.00 N ATOM 538 CA VAL A 38 6.820 -3.390 9.093 1.00 0.00 C ATOM 539 C VAL A 38 5.708 -2.402 9.436 1.00 0.00 C ATOM 540 O VAL A 38 5.753 -1.795 10.504 1.00 0.00 O ATOM 541 CB VAL A 38 7.852 -2.766 8.138 1.00 0.00 C ATOM 542 CG1 VAL A 38 8.218 -1.346 8.572 1.00 0.00 C ATOM 543 CG2 VAL A 38 9.112 -3.639 8.061 1.00 0.00 C ATOM 0 H VAL A 38 6.508 -4.645 7.480 1.00 0.00 H new ATOM 0 HA VAL A 38 7.316 -3.656 10.026 1.00 0.00 H new ATOM 0 HB VAL A 38 7.401 -2.713 7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.949 -0.931 7.878 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.323 -0.724 8.572 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.643 -1.370 9.575 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.831 -3.182 7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.556 -3.726 9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.846 -4.630 7.695 1.00 0.00 H new ATOM 553 N CYS A 39 4.755 -2.176 8.520 1.00 0.00 N ATOM 554 CA CYS A 39 3.689 -1.206 8.762 1.00 0.00 C ATOM 555 C CYS A 39 3.001 -1.469 10.115 1.00 0.00 C ATOM 556 O CYS A 39 2.444 -2.542 10.341 1.00 0.00 O ATOM 557 CB CYS A 39 2.682 -1.251 7.648 1.00 0.00 C ATOM 558 SG CYS A 39 1.185 -0.259 7.985 1.00 0.00 S ATOM 0 H CYS A 39 4.704 -2.648 7.617 1.00 0.00 H new ATOM 0 HA CYS A 39 4.135 -0.212 8.795 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.149 -0.891 6.731 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.391 -2.287 7.472 1.00 0.00 H new ATOM 0 HG CYS A 39 0.696 0.183 6.865 1.00 0.00 H new ATOM 563 N ILE A 40 3.025 -0.476 11.009 1.00 0.00 N ATOM 564 CA ILE A 40 2.554 -0.599 12.386 1.00 0.00 C ATOM 565 C ILE A 40 1.063 -0.251 12.521 1.00 0.00 C ATOM 566 O ILE A 40 0.625 0.165 13.591 1.00 0.00 O ATOM 567 CB ILE A 40 3.444 0.217 13.352 1.00 0.00 C ATOM 568 CG1 ILE A 40 3.494 1.732 13.088 1.00 0.00 C ATOM 569 CG2 ILE A 40 4.845 -0.390 13.488 1.00 0.00 C ATOM 570 CD1 ILE A 40 4.592 2.230 12.139 1.00 0.00 C ATOM 0 H ILE A 40 3.380 0.454 10.788 1.00 0.00 H new ATOM 0 HA ILE A 40 2.644 -1.646 12.674 1.00 0.00 H new ATOM 0 HB ILE A 40 2.939 0.134 14.315 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.530 2.039 12.683 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.615 2.240 14.045 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.438 0.214 14.175 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.765 -1.406 13.874 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.329 -0.409 12.512 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.520 3.313 12.036 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.569 1.968 12.544 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.467 1.764 11.162 1.00 0.00 H new ATOM 582 N ASP A 41 0.287 -0.410 11.442 1.00 0.00 N ATOM 583 CA ASP A 41 -1.154 -0.139 11.401 1.00 0.00 C ATOM 584 C ASP A 41 -1.483 1.240 11.978 1.00 0.00 C ATOM 585 O ASP A 41 -2.450 1.420 12.714 1.00 0.00 O ATOM 586 CB ASP A 41 -1.956 -1.271 12.072 1.00 0.00 C ATOM 587 CG ASP A 41 -2.137 -2.445 11.138 1.00 0.00 C ATOM 588 OD1 ASP A 41 -2.624 -2.295 10.000 1.00 0.00 O ATOM 589 OD2 ASP A 41 -1.745 -3.591 11.420 1.00 0.00 O ATOM 0 H ASP A 41 0.655 -0.740 10.550 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.461 -0.116 10.355 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.441 -1.598 12.975 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.932 -0.895 12.380 1.00 0.00 H new ATOM 594 N CYS A 42 -0.654 2.223 11.627 1.00 0.00 N ATOM 595 CA CYS A 42 -0.704 3.538 12.237 1.00 0.00 C ATOM 596 C CYS A 42 -2.008 4.284 11.916 1.00 0.00 C ATOM 597 O CYS A 42 -2.579 4.938 12.786 1.00 0.00 O ATOM 598 CB CYS A 42 0.523 4.322 11.853 1.00 0.00 C ATOM 599 SG CYS A 42 0.484 5.150 10.246 1.00 0.00 S ATOM 0 H CYS A 42 0.067 2.124 10.913 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.705 3.416 13.320 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.700 5.076 12.620 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.378 3.646 11.867 1.00 0.00 H new ATOM 0 HG CYS A 42 1.373 6.099 10.225 1.00 0.00 H new ATOM 604 N GLY A 43 -2.473 4.177 10.667 1.00 0.00 N ATOM 605 CA GLY A 43 -3.567 4.971 10.139 1.00 0.00 C ATOM 606 C GLY A 43 -3.108 6.407 9.877 1.00 0.00 C ATOM 607 O GLY A 43 -3.105 7.240 10.782 1.00 0.00 O ATOM 0 H GLY A 43 -2.086 3.521 9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.934 4.526 9.214 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.398 4.971 10.845 1.00 0.00 H new ATOM 611 N ALA A 44 -2.723 6.705 8.634 1.00 0.00 N ATOM 612 CA ALA A 44 -2.299 8.028 8.199 1.00 0.00 C ATOM 613 C ALA A 44 -2.305 8.082 6.673 1.00 0.00 C ATOM 614 O ALA A 44 -2.987 8.910 6.074 1.00 0.00 O ATOM 615 CB ALA A 44 -0.907 8.360 8.754 1.00 0.00 C ATOM 0 H ALA A 44 -2.699 6.011 7.887 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.994 8.774 8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.608 9.353 8.417 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.935 8.339 9.843 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.187 7.624 8.396 1.00 0.00 H new ATOM 621 N CYS A 45 -1.535 7.191 6.048 1.00 0.00 N ATOM 622 CA CYS A 45 -1.370 7.108 4.604 1.00 0.00 C ATOM 623 C CYS A 45 -2.724 7.083 3.871 1.00 0.00 C ATOM 624 O CYS A 45 -2.890 7.760 2.851 1.00 0.00 O ATOM 625 CB CYS A 45 -0.454 5.950 4.269 1.00 0.00 C ATOM 626 SG CYS A 45 -0.923 4.322 4.927 1.00 0.00 S ATOM 0 H CYS A 45 -0.994 6.488 6.551 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.886 8.013 4.236 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.387 5.872 3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.545 6.190 4.634 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.004 4.437 5.640 1.00 0.00 H new ATOM 631 N GLU A 46 -3.730 6.392 4.420 1.00 0.00 N ATOM 632 CA GLU A 46 -5.053 6.328 3.806 1.00 0.00 C ATOM 633 C GLU A 46 -5.660 7.716 3.578 1.00 0.00 C ATOM 634 O GLU A 46 -6.420 7.908 2.632 1.00 0.00 O ATOM 635 CB GLU A 46 -6.039 5.498 4.638 1.00 0.00 C ATOM 636 CG GLU A 46 -5.431 4.259 5.302 1.00 0.00 C ATOM 637 CD GLU A 46 -4.959 4.591 6.705 1.00 0.00 C ATOM 638 OE1 GLU A 46 -3.827 5.112 6.810 1.00 0.00 O ATOM 639 OE2 GLU A 46 -5.758 4.376 7.642 1.00 0.00 O ATOM 0 H GLU A 46 -3.648 5.869 5.292 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.896 5.844 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.467 6.135 5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.861 5.183 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.170 3.459 5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.595 3.893 4.707 1.00 0.00 H new ATOM 646 N ALA A 47 -5.373 8.680 4.463 1.00 0.00 N ATOM 647 CA ALA A 47 -5.962 10.010 4.361 1.00 0.00 C ATOM 648 C ALA A 47 -5.520 10.714 3.079 1.00 0.00 C ATOM 649 O ALA A 47 -6.308 11.455 2.497 1.00 0.00 O ATOM 650 CB ALA A 47 -5.645 10.859 5.598 1.00 0.00 C ATOM 0 H ALA A 47 -4.739 8.559 5.252 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.044 9.887 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.099 11.844 5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.045 10.371 6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.565 10.966 5.699 1.00 0.00 H new ATOM 656 N VAL A 48 -4.268 10.516 2.653 1.00 0.00 N ATOM 657 CA VAL A 48 -3.774 11.150 1.438 1.00 0.00 C ATOM 658 C VAL A 48 -4.105 10.302 0.208 1.00 0.00 C ATOM 659 O VAL A 48 -4.374 10.862 -0.855 1.00 0.00 O ATOM 660 CB VAL A 48 -2.282 11.519 1.540 1.00 0.00 C ATOM 661 CG1 VAL A 48 -2.055 12.493 2.705 1.00 0.00 C ATOM 662 CG2 VAL A 48 -1.342 10.319 1.695 1.00 0.00 C ATOM 0 H VAL A 48 -3.587 9.926 3.131 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.297 12.099 1.316 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.033 11.985 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.997 12.746 2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.636 13.400 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.371 12.025 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.312 10.670 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.597 9.772 2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.448 9.660 0.833 1.00 0.00 H new ATOM 672 N CYS A 49 -4.085 8.970 0.332 1.00 0.00 N ATOM 673 CA CYS A 49 -4.260 8.102 -0.824 1.00 0.00 C ATOM 674 C CYS A 49 -5.622 8.327 -1.513 1.00 0.00 C ATOM 675 O CYS A 49 -6.663 8.181 -0.864 1.00 0.00 O ATOM 676 CB CYS A 49 -4.114 6.658 -0.431 1.00 0.00 C ATOM 677 SG CYS A 49 -4.152 5.566 -1.858 1.00 0.00 S ATOM 0 H CYS A 49 -3.950 8.479 1.216 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.478 8.359 -1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.175 6.521 0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.916 6.386 0.255 1.00 0.00 H new ATOM 0 HG CYS A 49 -2.969 5.062 -2.050 1.00 0.00 H new ATOM 682 N PRO A 50 -5.661 8.676 -2.813 1.00 0.00 N ATOM 683 CA PRO A 50 -6.913 8.888 -3.517 1.00 0.00 C ATOM 684 C PRO A 50 -7.825 7.662 -3.402 1.00 0.00 C ATOM 685 O PRO A 50 -7.477 6.567 -3.840 1.00 0.00 O ATOM 686 CB PRO A 50 -6.569 9.230 -4.972 1.00 0.00 C ATOM 687 CG PRO A 50 -5.042 9.177 -5.080 1.00 0.00 C ATOM 688 CD PRO A 50 -4.514 8.925 -3.668 1.00 0.00 C ATOM 0 HA PRO A 50 -7.473 9.712 -3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.032 8.520 -5.658 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.943 10.219 -5.237 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.729 8.383 -5.758 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.649 10.112 -5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.836 8.072 -3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.948 9.786 -3.311 1.00 0.00 H new ATOM 696 N VAL A 51 -9.002 7.853 -2.795 1.00 0.00 N ATOM 697 CA VAL A 51 -10.015 6.820 -2.600 1.00 0.00 C ATOM 698 C VAL A 51 -9.480 5.664 -1.731 1.00 0.00 C ATOM 699 O VAL A 51 -10.049 4.570 -1.720 1.00 0.00 O ATOM 700 CB VAL A 51 -10.603 6.362 -3.957 1.00 0.00 C ATOM 701 CG1 VAL A 51 -12.001 5.742 -3.793 1.00 0.00 C ATOM 702 CG2 VAL A 51 -10.753 7.528 -4.951 1.00 0.00 C ATOM 0 H VAL A 51 -9.280 8.758 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.847 7.245 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.894 5.627 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.379 5.434 -4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.939 4.874 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.677 6.478 -3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.169 7.157 -5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.420 8.281 -4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.776 7.973 -5.139 1.00 0.00 H new ATOM 712 N SER A 52 -8.411 5.906 -0.960 1.00 0.00 N ATOM 713 CA SER A 52 -7.783 4.904 -0.115 1.00 0.00 C ATOM 714 C SER A 52 -7.483 3.637 -0.918 1.00 0.00 C ATOM 715 O SER A 52 -7.883 2.550 -0.520 1.00 0.00 O ATOM 716 CB SER A 52 -8.655 4.639 1.115 1.00 0.00 C ATOM 717 OG SER A 52 -7.999 3.837 2.079 1.00 0.00 O ATOM 0 H SER A 52 -7.959 6.819 -0.911 1.00 0.00 H new ATOM 0 HA SER A 52 -6.824 5.275 0.246 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.937 5.589 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.577 4.148 0.804 1.00 0.00 H new ATOM 0 HG SER A 52 -7.462 3.154 1.626 1.00 0.00 H new ATOM 723 N ALA A 53 -6.772 3.757 -2.041 1.00 0.00 N ATOM 724 CA ALA A 53 -6.288 2.582 -2.767 1.00 0.00 C ATOM 725 C ALA A 53 -5.457 1.683 -1.840 1.00 0.00 C ATOM 726 O ALA A 53 -5.465 0.459 -1.973 1.00 0.00 O ATOM 727 CB ALA A 53 -5.490 2.999 -4.005 1.00 0.00 C ATOM 0 H ALA A 53 -6.520 4.650 -2.465 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.148 2.006 -3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.140 2.110 -4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.127 3.584 -4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.634 3.601 -3.700 1.00 0.00 H new ATOM 733 N ILE A 54 -4.766 2.292 -0.875 1.00 0.00 N ATOM 734 CA ILE A 54 -4.244 1.596 0.286 1.00 0.00 C ATOM 735 C ILE A 54 -5.428 1.051 1.090 1.00 0.00 C ATOM 736 O ILE A 54 -6.207 1.829 1.636 1.00 0.00 O ATOM 737 CB ILE A 54 -3.396 2.562 1.134 1.00 0.00 C ATOM 738 CG1 ILE A 54 -2.171 3.028 0.339 1.00 0.00 C ATOM 739 CG2 ILE A 54 -2.980 1.877 2.439 1.00 0.00 C ATOM 740 CD1 ILE A 54 -1.361 4.118 1.049 1.00 0.00 C ATOM 0 H ILE A 54 -4.555 3.290 -0.884 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.603 0.769 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.990 3.442 1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.524 2.172 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.498 3.403 -0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.380 2.564 3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.870 1.591 3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.393 0.987 2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.509 4.400 0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.993 4.990 1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.004 3.740 2.007 1.00 0.00 H new ATOM 752 N TYR A 55 -5.555 -0.274 1.182 1.00 0.00 N ATOM 753 CA TYR A 55 -6.585 -0.934 1.963 1.00 0.00 C ATOM 754 C TYR A 55 -5.956 -1.922 2.937 1.00 0.00 C ATOM 755 O TYR A 55 -4.895 -2.489 2.686 1.00 0.00 O ATOM 756 CB TYR A 55 -7.585 -1.619 1.036 1.00 0.00 C ATOM 757 CG TYR A 55 -8.535 -0.705 0.274 1.00 0.00 C ATOM 758 CD1 TYR A 55 -9.356 0.212 0.961 1.00 0.00 C ATOM 759 CD2 TYR A 55 -8.674 -0.840 -1.119 1.00 0.00 C ATOM 760 CE1 TYR A 55 -10.251 1.033 0.251 1.00 0.00 C ATOM 761 CE2 TYR A 55 -9.540 0.005 -1.833 1.00 0.00 C ATOM 762 CZ TYR A 55 -10.270 0.993 -1.154 1.00 0.00 C ATOM 763 OH TYR A 55 -10.956 1.935 -1.863 1.00 0.00 O ATOM 0 H TYR A 55 -4.930 -0.924 0.705 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.126 -0.190 2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.028 -2.214 0.312 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.180 -2.314 1.629 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.298 0.285 2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.111 -1.598 -1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.921 1.692 0.784 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.644 -0.105 -2.902 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.541 2.812 -1.729 1.00 0.00 H new ATOM 773 N HIS A 56 -6.609 -2.115 4.081 1.00 0.00 N ATOM 774 CA HIS A 56 -6.152 -3.066 5.072 1.00 0.00 C ATOM 775 C HIS A 56 -6.492 -4.480 4.602 1.00 0.00 C ATOM 776 O HIS A 56 -7.509 -4.677 3.936 1.00 0.00 O ATOM 777 CB HIS A 56 -6.817 -2.733 6.413 1.00 0.00 C ATOM 778 CG HIS A 56 -6.203 -3.484 7.569 1.00 0.00 C ATOM 779 ND1 HIS A 56 -6.730 -4.584 8.211 1.00 0.00 N ATOM 780 CD2 HIS A 56 -4.933 -3.305 8.041 1.00 0.00 C ATOM 781 CE1 HIS A 56 -5.773 -5.075 9.018 1.00 0.00 C ATOM 782 NE2 HIS A 56 -4.645 -4.349 8.927 1.00 0.00 N ATOM 0 H HIS A 56 -7.462 -1.618 4.339 1.00 0.00 H new ATOM 0 HA HIS A 56 -5.071 -3.009 5.203 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.737 -1.662 6.597 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.880 -2.968 6.355 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -7.672 -4.957 8.095 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.267 -2.497 7.776 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.894 -5.939 9.655 1.00 0.00 H new ATOM 790 N GLU A 57 -5.680 -5.474 4.980 1.00 0.00 N ATOM 791 CA GLU A 57 -5.895 -6.869 4.595 1.00 0.00 C ATOM 792 C GLU A 57 -7.316 -7.358 4.939 1.00 0.00 C ATOM 793 O GLU A 57 -7.863 -8.257 4.303 1.00 0.00 O ATOM 794 CB GLU A 57 -4.794 -7.746 5.215 1.00 0.00 C ATOM 795 CG GLU A 57 -4.957 -9.266 5.038 1.00 0.00 C ATOM 796 CD GLU A 57 -4.955 -9.771 3.594 1.00 0.00 C ATOM 797 OE1 GLU A 57 -5.597 -9.125 2.737 1.00 0.00 O ATOM 798 OE2 GLU A 57 -4.372 -10.851 3.370 1.00 0.00 O ATOM 0 H GLU A 57 -4.855 -5.331 5.562 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.823 -6.950 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.837 -7.451 4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.743 -7.529 6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.152 -9.764 5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.892 -9.569 5.508 1.00 0.00 H new ATOM 805 N ASP A 58 -7.949 -6.748 5.937 1.00 0.00 N ATOM 806 CA ASP A 58 -9.323 -7.046 6.306 1.00 0.00 C ATOM 807 C ASP A 58 -10.268 -6.671 5.161 1.00 0.00 C ATOM 808 O ASP A 58 -11.073 -7.479 4.705 1.00 0.00 O ATOM 809 CB ASP A 58 -9.666 -6.278 7.584 1.00 0.00 C ATOM 810 CG ASP A 58 -11.089 -6.587 8.017 1.00 0.00 C ATOM 811 OD1 ASP A 58 -11.276 -7.675 8.598 1.00 0.00 O ATOM 812 OD2 ASP A 58 -11.953 -5.723 7.761 1.00 0.00 O ATOM 0 H ASP A 58 -7.516 -6.028 6.515 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.440 -8.114 6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.970 -6.549 8.378 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.554 -5.207 7.414 1.00 0.00 H new ATOM 817 N PHE A 59 -10.127 -5.440 4.665 1.00 0.00 N ATOM 818 CA PHE A 59 -10.925 -4.866 3.614 1.00 0.00 C ATOM 819 C PHE A 59 -10.592 -5.507 2.272 1.00 0.00 C ATOM 820 O PHE A 59 -11.456 -5.629 1.408 1.00 0.00 O ATOM 821 CB PHE A 59 -10.566 -3.382 3.554 1.00 0.00 C ATOM 822 CG PHE A 59 -10.829 -2.514 4.772 1.00 0.00 C ATOM 823 CD1 PHE A 59 -11.521 -2.995 5.900 1.00 0.00 C ATOM 824 CD2 PHE A 59 -10.391 -1.177 4.746 1.00 0.00 C ATOM 825 CE1 PHE A 59 -11.722 -2.160 7.012 1.00 0.00 C ATOM 826 CE2 PHE A 59 -10.616 -0.334 5.846 1.00 0.00 C ATOM 827 CZ PHE A 59 -11.274 -0.828 6.986 1.00 0.00 C ATOM 0 H PHE A 59 -9.415 -4.797 5.012 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.985 -5.026 3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.504 -3.309 3.320 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -11.108 -2.945 2.715 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.898 -4.007 5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -9.879 -0.797 3.875 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -12.222 -2.543 7.889 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -10.284 0.693 5.816 1.00 0.00 H new ATOM 0 HZ PHE A 59 -11.435 -0.186 7.839 1.00 0.00 H new ATOM 837 N VAL A 60 -9.312 -5.831 2.068 1.00 0.00 N ATOM 838 CA VAL A 60 -8.819 -6.259 0.764 1.00 0.00 C ATOM 839 C VAL A 60 -9.631 -7.445 0.229 1.00 0.00 C ATOM 840 O VAL A 60 -9.760 -8.452 0.930 1.00 0.00 O ATOM 841 CB VAL A 60 -7.321 -6.572 0.871 1.00 0.00 C ATOM 842 CG1 VAL A 60 -6.765 -7.503 -0.210 1.00 0.00 C ATOM 843 CG2 VAL A 60 -6.600 -5.239 0.714 1.00 0.00 C ATOM 0 H VAL A 60 -8.598 -5.803 2.796 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.947 -5.454 0.040 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.169 -7.082 1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.699 -7.659 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.283 -8.461 -0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.916 -7.052 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.524 -5.397 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.843 -4.806 -0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.917 -4.559 1.504 1.00 0.00 H new ATOM 853 N PRO A 61 -10.154 -7.364 -1.005 1.00 0.00 N ATOM 854 CA PRO A 61 -10.916 -8.451 -1.591 1.00 0.00 C ATOM 855 C PRO A 61 -10.049 -9.700 -1.743 1.00 0.00 C ATOM 856 O PRO A 61 -8.833 -9.602 -1.896 1.00 0.00 O ATOM 857 CB PRO A 61 -11.425 -7.962 -2.949 1.00 0.00 C ATOM 858 CG PRO A 61 -10.692 -6.647 -3.220 1.00 0.00 C ATOM 859 CD PRO A 61 -10.025 -6.233 -1.905 1.00 0.00 C ATOM 0 HA PRO A 61 -11.753 -8.728 -0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.218 -8.693 -3.730 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.504 -7.811 -2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.949 -6.774 -4.007 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.388 -5.879 -3.559 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.976 -5.981 -2.064 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.506 -5.348 -1.488 1.00 0.00 H new ATOM 867 N GLU A 62 -10.691 -10.871 -1.721 1.00 0.00 N ATOM 868 CA GLU A 62 -10.038 -12.168 -1.806 1.00 0.00 C ATOM 869 C GLU A 62 -9.038 -12.216 -2.962 1.00 0.00 C ATOM 870 O GLU A 62 -7.902 -12.632 -2.764 1.00 0.00 O ATOM 871 CB GLU A 62 -11.111 -13.260 -1.888 1.00 0.00 C ATOM 872 CG GLU A 62 -10.537 -14.660 -1.643 1.00 0.00 C ATOM 873 CD GLU A 62 -11.644 -15.707 -1.621 1.00 0.00 C ATOM 874 OE1 GLU A 62 -12.447 -15.696 -2.578 1.00 0.00 O ATOM 875 OE2 GLU A 62 -11.676 -16.480 -0.640 1.00 0.00 O ATOM 0 H GLU A 62 -11.706 -10.939 -1.641 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.446 -12.345 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.891 -13.056 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.582 -13.230 -2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.817 -14.903 -2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.998 -14.675 -0.696 1.00 0.00 H new ATOM 882 N GLU A 63 -9.437 -11.711 -4.134 1.00 0.00 N ATOM 883 CA GLU A 63 -8.564 -11.552 -5.295 1.00 0.00 C ATOM 884 C GLU A 63 -7.206 -10.980 -4.844 1.00 0.00 C ATOM 885 O GLU A 63 -6.137 -11.571 -5.013 1.00 0.00 O ATOM 886 CB GLU A 63 -9.287 -10.664 -6.323 1.00 0.00 C ATOM 887 CG GLU A 63 -9.005 -10.959 -7.807 1.00 0.00 C ATOM 888 CD GLU A 63 -7.607 -10.580 -8.272 1.00 0.00 C ATOM 889 OE1 GLU A 63 -6.654 -11.247 -7.825 1.00 0.00 O ATOM 890 OE2 GLU A 63 -7.517 -9.610 -9.057 1.00 0.00 O ATOM 0 H GLU A 63 -10.393 -11.397 -4.302 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.352 -12.509 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.360 -10.754 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.019 -9.626 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.158 -12.023 -7.988 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.734 -10.424 -8.415 1.00 0.00 H new ATOM 897 N TRP A 64 -7.264 -9.839 -4.160 1.00 0.00 N ATOM 898 CA TRP A 64 -6.104 -9.026 -3.852 1.00 0.00 C ATOM 899 C TRP A 64 -5.347 -9.495 -2.609 1.00 0.00 C ATOM 900 O TRP A 64 -4.268 -8.968 -2.343 1.00 0.00 O ATOM 901 CB TRP A 64 -6.498 -7.540 -3.975 1.00 0.00 C ATOM 902 CG TRP A 64 -6.983 -7.183 -5.366 1.00 0.00 C ATOM 903 CD1 TRP A 64 -6.701 -7.906 -6.475 1.00 0.00 C ATOM 904 CD2 TRP A 64 -7.902 -6.137 -5.828 1.00 0.00 C ATOM 905 NE1 TRP A 64 -7.447 -7.471 -7.535 1.00 0.00 N ATOM 906 CE2 TRP A 64 -8.217 -6.389 -7.200 1.00 0.00 C ATOM 907 CE3 TRP A 64 -8.533 -5.019 -5.238 1.00 0.00 C ATOM 908 CZ2 TRP A 64 -9.139 -5.626 -7.925 1.00 0.00 C ATOM 909 CZ3 TRP A 64 -9.421 -4.209 -5.976 1.00 0.00 C ATOM 910 CH2 TRP A 64 -9.756 -4.535 -7.301 1.00 0.00 C ATOM 0 H TRP A 64 -8.137 -9.452 -3.801 1.00 0.00 H new ATOM 0 HA TRP A 64 -5.312 -9.162 -4.588 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -7.281 -7.314 -3.251 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.640 -6.917 -3.722 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.986 -8.714 -6.517 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.432 -7.899 -8.461 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.332 -4.781 -4.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.371 -5.875 -8.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -9.848 -3.329 -5.518 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -10.487 -3.946 -7.836 1.00 0.00 H new ATOM 921 N LYS A 65 -5.750 -10.609 -1.976 1.00 0.00 N ATOM 922 CA LYS A 65 -4.779 -11.400 -1.211 1.00 0.00 C ATOM 923 C LYS A 65 -3.528 -11.663 -2.056 1.00 0.00 C ATOM 924 O LYS A 65 -2.421 -11.706 -1.514 1.00 0.00 O ATOM 925 CB LYS A 65 -5.377 -12.727 -0.729 1.00 0.00 C ATOM 926 CG LYS A 65 -6.143 -12.608 0.593 1.00 0.00 C ATOM 927 CD LYS A 65 -6.980 -11.333 0.704 1.00 0.00 C ATOM 928 CE LYS A 65 -7.689 -11.289 2.055 1.00 0.00 C ATOM 929 NZ LYS A 65 -8.059 -9.905 2.386 1.00 0.00 N ATOM 0 H LYS A 65 -6.704 -10.970 -1.977 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.505 -10.821 -0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.049 -13.113 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.575 -13.456 -0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.797 -13.473 0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.432 -12.639 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.341 -10.458 0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.713 -11.298 -0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.581 -11.915 2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.038 -11.695 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.337 -9.850 3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.246 -9.279 2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.856 -9.606 1.789 1.00 0.00 H new ATOM 943 N SER A 66 -3.685 -11.831 -3.375 1.00 0.00 N ATOM 944 CA SER A 66 -2.561 -11.956 -4.290 1.00 0.00 C ATOM 945 C SER A 66 -1.579 -10.790 -4.124 1.00 0.00 C ATOM 946 O SER A 66 -0.384 -11.003 -3.913 1.00 0.00 O ATOM 947 CB SER A 66 -3.081 -12.050 -5.730 1.00 0.00 C ATOM 948 OG SER A 66 -4.036 -13.086 -5.822 1.00 0.00 O ATOM 0 H SER A 66 -4.596 -11.883 -3.830 1.00 0.00 H new ATOM 0 HA SER A 66 -2.013 -12.869 -4.056 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.528 -11.102 -6.028 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.254 -12.242 -6.414 1.00 0.00 H new ATOM 0 HG SER A 66 -4.933 -12.717 -5.684 1.00 0.00 H new ATOM 954 N TYR A 67 -2.069 -9.548 -4.193 1.00 0.00 N ATOM 955 CA TYR A 67 -1.209 -8.383 -4.035 1.00 0.00 C ATOM 956 C TYR A 67 -0.629 -8.328 -2.637 1.00 0.00 C ATOM 957 O TYR A 67 0.525 -7.944 -2.481 1.00 0.00 O ATOM 958 CB TYR A 67 -1.967 -7.072 -4.268 1.00 0.00 C ATOM 959 CG TYR A 67 -2.211 -6.723 -5.724 1.00 0.00 C ATOM 960 CD1 TYR A 67 -1.131 -6.598 -6.617 1.00 0.00 C ATOM 961 CD2 TYR A 67 -3.521 -6.529 -6.193 1.00 0.00 C ATOM 962 CE1 TYR A 67 -1.369 -6.376 -7.985 1.00 0.00 C ATOM 963 CE2 TYR A 67 -3.759 -6.286 -7.556 1.00 0.00 C ATOM 964 CZ TYR A 67 -2.685 -6.225 -8.457 1.00 0.00 C ATOM 965 OH TYR A 67 -2.905 -6.036 -9.786 1.00 0.00 O ATOM 0 H TYR A 67 -3.052 -9.330 -4.356 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.420 -8.487 -4.780 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.928 -7.130 -3.758 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.408 -6.259 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.118 -6.673 -6.251 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.350 -6.567 -5.502 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.540 -6.321 -8.674 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.769 -6.146 -7.911 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.810 -5.685 -9.921 1.00 0.00 H new ATOM 975 N ILE A 68 -1.405 -8.640 -1.605 1.00 0.00 N ATOM 976 CA ILE A 68 -0.884 -8.514 -0.264 1.00 0.00 C ATOM 977 C ILE A 68 0.286 -9.483 -0.081 1.00 0.00 C ATOM 978 O ILE A 68 1.355 -9.104 0.406 1.00 0.00 O ATOM 979 CB ILE A 68 -2.043 -8.734 0.714 1.00 0.00 C ATOM 980 CG1 ILE A 68 -2.938 -7.492 0.846 1.00 0.00 C ATOM 981 CG2 ILE A 68 -1.540 -9.125 2.104 1.00 0.00 C ATOM 982 CD1 ILE A 68 -3.091 -6.577 -0.380 1.00 0.00 C ATOM 0 H ILE A 68 -2.367 -8.972 -1.673 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.479 -7.521 -0.068 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.632 -9.550 0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.933 -7.827 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.551 -6.888 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.390 -9.273 2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.967 -10.050 2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.904 -8.332 2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.751 -5.745 -0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.114 -6.191 -0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.517 -7.145 -1.207 1.00 0.00 H new ATOM 994 N GLN A 69 0.109 -10.724 -0.538 1.00 0.00 N ATOM 995 CA GLN A 69 1.194 -11.673 -0.621 1.00 0.00 C ATOM 996 C GLN A 69 2.338 -11.102 -1.457 1.00 0.00 C ATOM 997 O GLN A 69 3.479 -11.233 -1.041 1.00 0.00 O ATOM 998 CB GLN A 69 0.657 -12.996 -1.161 1.00 0.00 C ATOM 999 CG GLN A 69 -0.028 -13.761 -0.026 1.00 0.00 C ATOM 1000 CD GLN A 69 -0.907 -14.886 -0.552 1.00 0.00 C ATOM 1001 OE1 GLN A 69 -0.596 -16.062 -0.396 1.00 0.00 O ATOM 1002 NE2 GLN A 69 -2.017 -14.518 -1.177 1.00 0.00 N ATOM 0 H GLN A 69 -0.789 -11.087 -0.857 1.00 0.00 H new ATOM 0 HA GLN A 69 1.610 -11.866 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.050 -12.812 -1.970 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.471 -13.590 -1.577 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.728 -14.173 0.643 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.633 -13.072 0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.237 -13.528 -1.285 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.651 -15.225 -1.550 1.00 0.00 H new ATOM 1011 N LYS A 70 2.066 -10.442 -2.587 1.00 0.00 N ATOM 1012 CA LYS A 70 3.100 -9.798 -3.394 1.00 0.00 C ATOM 1013 C LYS A 70 3.905 -8.767 -2.596 1.00 0.00 C ATOM 1014 O LYS A 70 5.130 -8.828 -2.589 1.00 0.00 O ATOM 1015 CB LYS A 70 2.479 -9.158 -4.647 1.00 0.00 C ATOM 1016 CG LYS A 70 3.509 -8.790 -5.725 1.00 0.00 C ATOM 1017 CD LYS A 70 2.780 -8.091 -6.885 1.00 0.00 C ATOM 1018 CE LYS A 70 3.719 -7.369 -7.860 1.00 0.00 C ATOM 1019 NZ LYS A 70 4.544 -8.293 -8.656 1.00 0.00 N ATOM 0 H LYS A 70 1.124 -10.341 -2.965 1.00 0.00 H new ATOM 0 HA LYS A 70 3.801 -10.573 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.750 -9.847 -5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.935 -8.260 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.273 -8.134 -5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.018 -9.685 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.199 -8.831 -7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.072 -7.370 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.127 -6.748 -8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.371 -6.700 -7.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.352 -7.777 -9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.893 -9.060 -8.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.971 -8.696 -9.425 1.00 0.00 H new ATOM 1033 N ASN A 71 3.242 -7.812 -1.938 1.00 0.00 N ATOM 1034 CA ASN A 71 3.886 -6.843 -1.066 1.00 0.00 C ATOM 1035 C ASN A 71 4.768 -7.542 -0.044 1.00 0.00 C ATOM 1036 O ASN A 71 5.900 -7.128 0.176 1.00 0.00 O ATOM 1037 CB ASN A 71 2.823 -6.011 -0.342 1.00 0.00 C ATOM 1038 CG ASN A 71 2.216 -4.923 -1.211 1.00 0.00 C ATOM 1039 OD1 ASN A 71 2.446 -3.735 -1.008 1.00 0.00 O ATOM 1040 ND2 ASN A 71 1.428 -5.313 -2.202 1.00 0.00 N ATOM 0 H ASN A 71 2.231 -7.694 -2.001 1.00 0.00 H new ATOM 0 HA ASN A 71 4.509 -6.190 -1.677 1.00 0.00 H new ATOM 0 HB2 ASN A 71 2.030 -6.672 0.007 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.269 -5.554 0.541 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.998 -4.620 -2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.251 -6.306 -2.352 1.00 0.00 H new ATOM 1047 N ARG A 72 4.275 -8.616 0.571 1.00 0.00 N ATOM 1048 CA ARG A 72 5.123 -9.427 1.419 1.00 0.00 C ATOM 1049 C ARG A 72 6.322 -9.960 0.632 1.00 0.00 C ATOM 1050 O ARG A 72 7.464 -9.761 1.037 1.00 0.00 O ATOM 1051 CB ARG A 72 4.271 -10.525 2.074 1.00 0.00 C ATOM 1052 CG ARG A 72 3.987 -10.088 3.514 1.00 0.00 C ATOM 1053 CD ARG A 72 2.830 -10.817 4.205 1.00 0.00 C ATOM 1054 NE ARG A 72 2.454 -10.099 5.440 1.00 0.00 N ATOM 1055 CZ ARG A 72 3.188 -10.043 6.564 1.00 0.00 C ATOM 1056 NH1 ARG A 72 4.223 -10.863 6.749 1.00 0.00 N ATOM 1057 NH2 ARG A 72 2.923 -9.155 7.520 1.00 0.00 N ATOM 0 H ARG A 72 3.309 -8.935 0.496 1.00 0.00 H new ATOM 0 HA ARG A 72 5.549 -8.827 2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.340 -10.667 1.525 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.798 -11.479 2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.891 -10.234 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.774 -9.019 3.516 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.974 -10.878 3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.122 -11.840 4.443 1.00 0.00 H new ATOM 0 HE ARG A 72 1.562 -9.604 5.439 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.468 -11.546 6.032 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.770 -10.808 7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.150 -8.500 7.407 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.493 -9.130 8.365 1.00 0.00 H new ATOM 1071 N ASP A 73 6.073 -10.619 -0.504 1.00 0.00 N ATOM 1072 CA ASP A 73 7.092 -11.282 -1.301 1.00 0.00 C ATOM 1073 C ASP A 73 8.224 -10.343 -1.651 1.00 0.00 C ATOM 1074 O ASP A 73 9.396 -10.714 -1.593 1.00 0.00 O ATOM 1075 CB ASP A 73 6.493 -11.858 -2.584 1.00 0.00 C ATOM 1076 CG ASP A 73 7.249 -13.121 -2.955 1.00 0.00 C ATOM 1077 OD1 ASP A 73 7.160 -14.094 -2.174 1.00 0.00 O ATOM 1078 OD2 ASP A 73 8.042 -13.056 -3.917 1.00 0.00 O ATOM 0 H ASP A 73 5.136 -10.704 -0.897 1.00 0.00 H new ATOM 0 HA ASP A 73 7.491 -12.095 -0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.436 -12.080 -2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.558 -11.129 -3.391 1.00 0.00 H new ATOM 1083 N PHE A 74 7.846 -9.126 -2.019 1.00 0.00 N ATOM 1084 CA PHE A 74 8.756 -8.046 -2.352 1.00 0.00 C ATOM 1085 C PHE A 74 9.912 -7.963 -1.352 1.00 0.00 C ATOM 1086 O PHE A 74 11.066 -7.841 -1.759 1.00 0.00 O ATOM 1087 CB PHE A 74 7.961 -6.737 -2.439 1.00 0.00 C ATOM 1088 CG PHE A 74 7.728 -6.263 -3.854 1.00 0.00 C ATOM 1089 CD1 PHE A 74 7.141 -7.127 -4.798 1.00 0.00 C ATOM 1090 CD2 PHE A 74 8.244 -5.023 -4.265 1.00 0.00 C ATOM 1091 CE1 PHE A 74 7.104 -6.761 -6.155 1.00 0.00 C ATOM 1092 CE2 PHE A 74 8.198 -4.659 -5.617 1.00 0.00 C ATOM 1093 CZ PHE A 74 7.616 -5.519 -6.564 1.00 0.00 C ATOM 0 H PHE A 74 6.865 -8.858 -2.095 1.00 0.00 H new ATOM 0 HA PHE A 74 9.214 -8.238 -3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.998 -6.874 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.493 -5.961 -1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.720 -8.069 -4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.676 -4.350 -3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.681 -7.436 -6.884 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.612 -3.713 -5.933 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.563 -5.226 -7.602 1.00 0.00 H new ATOM 1103 N PHE A 75 9.608 -8.080 -0.058 1.00 0.00 N ATOM 1104 CA PHE A 75 10.580 -7.939 1.016 1.00 0.00 C ATOM 1105 C PHE A 75 10.809 -9.269 1.738 1.00 0.00 C ATOM 1106 O PHE A 75 11.244 -9.284 2.886 1.00 0.00 O ATOM 1107 CB PHE A 75 10.070 -6.858 1.970 1.00 0.00 C ATOM 1108 CG PHE A 75 9.554 -5.622 1.256 1.00 0.00 C ATOM 1109 CD1 PHE A 75 10.414 -4.856 0.447 1.00 0.00 C ATOM 1110 CD2 PHE A 75 8.169 -5.393 1.210 1.00 0.00 C ATOM 1111 CE1 PHE A 75 9.881 -3.894 -0.431 1.00 0.00 C ATOM 1112 CE2 PHE A 75 7.636 -4.431 0.338 1.00 0.00 C ATOM 1113 CZ PHE A 75 8.490 -3.697 -0.498 1.00 0.00 C ATOM 0 H PHE A 75 8.664 -8.278 0.273 1.00 0.00 H new ATOM 0 HA PHE A 75 11.548 -7.645 0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.272 -7.273 2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 75 10.876 -6.569 2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.482 -5.006 0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.510 -5.961 1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.540 -3.307 -1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.571 -4.256 0.311 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.079 -2.980 -1.194 1.00 0.00 H new