USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 346 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 Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 165:sc= -0.703 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 157:sc= -5.12! (180deg=-6.05!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.873 K(o=-0.87,f=-4.9!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.303 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 38 ASN : amide:sc= -0.938 K(o=-0.94,f=-3.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.194) USER MOD Single : A 47 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.31) USER MOD Single : A 50 GLN : amide:sc= -6.45 K(o=-6.4,f=-9.9!) USER MOD Single : A 57 TYR OH : rot -5:sc= 0.93 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 14 N LEU A 8 -2.537 9.529 -1.891 1.00 0.00 N ATOM 15 CA LEU A 8 -2.530 8.254 -2.600 1.00 0.00 C ATOM 16 C LEU A 8 -1.102 7.806 -2.899 1.00 0.00 C ATOM 17 O LEU A 8 -0.202 8.631 -3.056 1.00 0.00 O ATOM 18 CB LEU A 8 -3.330 8.360 -3.903 1.00 0.00 C ATOM 19 CG LEU A 8 -3.189 9.683 -4.660 1.00 0.00 C ATOM 20 CD1 LEU A 8 -3.962 10.790 -3.960 1.00 0.00 C ATOM 21 CD2 LEU A 8 -1.722 10.065 -4.806 1.00 0.00 C ATOM 0 HA LEU A 8 -2.999 7.509 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.023 7.549 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.384 8.203 -3.675 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.610 9.550 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.848 11.721 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.018 10.523 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.575 10.921 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.644 11.008 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.275 10.175 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.196 9.286 -5.358 1.00 0.00 H new ATOM 32 N VAL A 9 -0.899 6.490 -2.971 1.00 0.00 N ATOM 33 CA VAL A 9 0.421 5.932 -3.250 1.00 0.00 C ATOM 34 C VAL A 9 0.457 5.256 -4.627 1.00 0.00 C ATOM 35 O VAL A 9 0.671 5.924 -5.639 1.00 0.00 O ATOM 36 CB VAL A 9 0.850 4.937 -2.148 1.00 0.00 C ATOM 37 CG1 VAL A 9 2.210 4.329 -2.463 1.00 0.00 C ATOM 38 CG2 VAL A 9 0.873 5.626 -0.793 1.00 0.00 C ATOM 0 H VAL A 9 -1.632 5.793 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 9 1.131 6.759 -3.258 1.00 0.00 H new ATOM 0 HB VAL A 9 0.119 4.129 -2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.489 3.632 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.160 3.798 -3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.956 5.121 -2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.177 4.912 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.581 6.455 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.122 6.006 -0.561 1.00 0.00 H new ATOM 48 N LEU A 10 0.249 3.936 -4.668 1.00 0.00 N ATOM 49 CA LEU A 10 0.261 3.193 -5.929 1.00 0.00 C ATOM 50 C LEU A 10 0.332 1.689 -5.675 1.00 0.00 C ATOM 51 O LEU A 10 -0.499 0.925 -6.167 1.00 0.00 O ATOM 52 CB LEU A 10 1.451 3.616 -6.800 1.00 0.00 C ATOM 53 CG LEU A 10 1.087 4.361 -8.083 1.00 0.00 C ATOM 54 CD1 LEU A 10 2.342 4.738 -8.853 1.00 0.00 C ATOM 55 CD2 LEU A 10 0.166 3.514 -8.948 1.00 0.00 C ATOM 0 H LEU A 10 0.071 3.362 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.667 3.423 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.109 4.250 -6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.021 2.726 -7.065 1.00 0.00 H new ATOM 0 HG LEU A 10 0.560 5.276 -7.813 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.064 5.268 -9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.968 5.382 -8.235 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.895 3.835 -9.113 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.083 4.060 -9.858 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.668 2.583 -9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.748 3.291 -8.397 1.00 0.00 H new ATOM 66 N ALA A 11 1.339 1.272 -4.910 1.00 0.00 N ATOM 67 CA ALA A 11 1.539 -0.138 -4.592 1.00 0.00 C ATOM 68 C ALA A 11 1.862 -0.940 -5.849 1.00 0.00 C ATOM 69 O ALA A 11 1.330 -2.032 -6.055 1.00 0.00 O ATOM 70 CB ALA A 11 0.309 -0.705 -3.901 1.00 0.00 C ATOM 0 H ALA A 11 2.032 1.896 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 11 2.388 -0.216 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.474 -1.757 -3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.125 -0.156 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.555 -0.609 -4.559 1.00 0.00 H new ATOM 76 N LEU A 12 2.736 -0.388 -6.688 1.00 0.00 N ATOM 77 CA LEU A 12 3.131 -1.053 -7.928 1.00 0.00 C ATOM 78 C LEU A 12 3.705 -2.438 -7.649 1.00 0.00 C ATOM 79 O LEU A 12 4.191 -2.711 -6.552 1.00 0.00 O ATOM 80 CB LEU A 12 4.151 -0.208 -8.710 1.00 0.00 C ATOM 81 CG LEU A 12 5.274 0.447 -7.893 1.00 0.00 C ATOM 82 CD1 LEU A 12 4.858 1.832 -7.417 1.00 0.00 C ATOM 83 CD2 LEU A 12 5.688 -0.428 -6.716 1.00 0.00 C ATOM 0 H LEU A 12 3.183 0.515 -6.533 1.00 0.00 H new ATOM 0 HA LEU A 12 2.234 -1.165 -8.538 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.608 -0.843 -9.469 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.610 0.578 -9.236 1.00 0.00 H new ATOM 0 HG LEU A 12 6.140 0.555 -8.546 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.669 2.277 -6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.637 2.462 -8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.970 1.750 -6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.485 0.065 -6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.831 -0.586 -6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.045 -1.389 -7.085 1.00 0.00 H new ATOM 94 N TYR A 13 3.637 -3.311 -8.652 1.00 0.00 N ATOM 95 CA TYR A 13 4.145 -4.678 -8.531 1.00 0.00 C ATOM 96 C TYR A 13 3.181 -5.575 -7.751 1.00 0.00 C ATOM 97 O TYR A 13 3.410 -6.778 -7.639 1.00 0.00 O ATOM 98 CB TYR A 13 5.523 -4.686 -7.859 1.00 0.00 C ATOM 99 CG TYR A 13 6.535 -5.566 -8.560 1.00 0.00 C ATOM 100 CD1 TYR A 13 6.161 -6.786 -9.112 1.00 0.00 C ATOM 101 CD2 TYR A 13 7.864 -5.178 -8.667 1.00 0.00 C ATOM 102 CE1 TYR A 13 7.084 -7.592 -9.751 1.00 0.00 C ATOM 103 CE2 TYR A 13 8.792 -5.978 -9.306 1.00 0.00 C ATOM 104 CZ TYR A 13 8.398 -7.184 -9.844 1.00 0.00 C ATOM 105 OH TYR A 13 9.318 -7.985 -10.481 1.00 0.00 O ATOM 0 H TYR A 13 3.233 -3.095 -9.563 1.00 0.00 H new ATOM 0 HA TYR A 13 4.236 -5.078 -9.541 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.905 -3.666 -7.822 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.413 -5.023 -6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.133 -7.109 -9.040 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.178 -4.235 -8.244 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.778 -8.537 -10.175 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.821 -5.660 -9.383 1.00 0.00 H new ATOM 0 HH TYR A 13 10.197 -7.553 -10.461 1.00 0.00 H new ATOM 114 N ASP A 14 2.106 -4.990 -7.214 1.00 0.00 N ATOM 115 CA ASP A 14 1.112 -5.743 -6.451 1.00 0.00 C ATOM 116 C ASP A 14 1.770 -6.730 -5.487 1.00 0.00 C ATOM 117 O ASP A 14 2.122 -7.846 -5.868 1.00 0.00 O ATOM 118 CB ASP A 14 0.165 -6.483 -7.397 1.00 0.00 C ATOM 119 CG ASP A 14 0.877 -7.510 -8.253 1.00 0.00 C ATOM 120 OD1 ASP A 14 1.421 -7.127 -9.310 1.00 0.00 O ATOM 121 OD2 ASP A 14 0.893 -8.698 -7.867 1.00 0.00 O ATOM 0 H ASP A 14 1.904 -3.994 -7.295 1.00 0.00 H new ATOM 0 HA ASP A 14 0.541 -5.029 -5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.611 -6.978 -6.813 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.334 -5.761 -8.043 1.00 0.00 H new ATOM 125 N TYR A 15 1.930 -6.310 -4.235 1.00 0.00 N ATOM 126 CA TYR A 15 2.546 -7.156 -3.220 1.00 0.00 C ATOM 127 C TYR A 15 1.591 -8.256 -2.770 1.00 0.00 C ATOM 128 O TYR A 15 0.537 -7.981 -2.197 1.00 0.00 O ATOM 129 CB TYR A 15 2.986 -6.324 -2.016 1.00 0.00 C ATOM 130 CG TYR A 15 4.070 -6.987 -1.196 1.00 0.00 C ATOM 131 CD1 TYR A 15 3.756 -7.953 -0.248 1.00 0.00 C ATOM 132 CD2 TYR A 15 5.407 -6.649 -1.373 1.00 0.00 C ATOM 133 CE1 TYR A 15 4.744 -8.565 0.501 1.00 0.00 C ATOM 134 CE2 TYR A 15 6.399 -7.259 -0.629 1.00 0.00 C ATOM 135 CZ TYR A 15 6.063 -8.214 0.306 1.00 0.00 C ATOM 136 OH TYR A 15 7.048 -8.824 1.048 1.00 0.00 O ATOM 0 H TYR A 15 1.642 -5.390 -3.900 1.00 0.00 H new ATOM 0 HA TYR A 15 3.425 -7.622 -3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.344 -5.355 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.122 -6.134 -1.379 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.724 -8.230 -0.094 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.674 -5.899 -2.103 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.484 -9.314 1.235 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.434 -6.988 -0.780 1.00 0.00 H new ATOM 0 HH TYR A 15 7.921 -8.652 0.637 1.00 0.00 H new ATOM 145 N GLN A 16 1.970 -9.502 -3.033 1.00 0.00 N ATOM 146 CA GLN A 16 1.153 -10.647 -2.655 1.00 0.00 C ATOM 147 C GLN A 16 1.487 -11.103 -1.236 1.00 0.00 C ATOM 148 O GLN A 16 2.144 -10.386 -0.484 1.00 0.00 O ATOM 149 CB GLN A 16 1.364 -11.798 -3.645 1.00 0.00 C ATOM 150 CG GLN A 16 2.749 -12.422 -3.570 1.00 0.00 C ATOM 151 CD GLN A 16 3.243 -12.907 -4.919 1.00 0.00 C ATOM 152 OE1 GLN A 16 4.122 -12.297 -5.526 1.00 0.00 O ATOM 153 NE2 GLN A 16 2.678 -14.010 -5.394 1.00 0.00 N ATOM 0 H GLN A 16 2.840 -9.744 -3.508 1.00 0.00 H new ATOM 0 HA GLN A 16 0.106 -10.346 -2.682 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.617 -12.569 -3.457 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.195 -11.431 -4.657 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.452 -11.691 -3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.729 -13.259 -2.872 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.952 -14.484 -4.856 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.970 -14.384 -6.297 1.00 0.00 H new ATOM 160 N GLU A 17 1.029 -12.297 -0.878 1.00 0.00 N ATOM 161 CA GLU A 17 1.280 -12.844 0.451 1.00 0.00 C ATOM 162 C GLU A 17 2.409 -13.870 0.413 1.00 0.00 C ATOM 163 O GLU A 17 2.254 -14.956 -0.149 1.00 0.00 O ATOM 164 CB GLU A 17 0.007 -13.482 1.008 1.00 0.00 C ATOM 165 CG GLU A 17 -0.442 -14.718 0.242 1.00 0.00 C ATOM 166 CD GLU A 17 -1.945 -14.775 0.062 1.00 0.00 C ATOM 167 OE1 GLU A 17 -2.641 -15.212 1.004 1.00 0.00 O ATOM 168 OE2 GLU A 17 -2.430 -14.386 -1.021 1.00 0.00 O ATOM 0 H GLU A 17 0.482 -12.905 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 17 1.583 -12.026 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.172 -13.752 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.795 -12.744 0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.038 -14.730 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.109 -15.611 0.771 1.00 0.00 H new ATOM 233 N GLU A 22 -1.905 -12.014 4.212 1.00 0.00 N ATOM 234 CA GLU A 22 -2.747 -12.128 3.028 1.00 0.00 C ATOM 235 C GLU A 22 -3.117 -10.749 2.487 1.00 0.00 C ATOM 236 O GLU A 22 -4.201 -10.238 2.758 1.00 0.00 O ATOM 237 CB GLU A 22 -4.016 -12.917 3.354 1.00 0.00 C ATOM 238 CG GLU A 22 -3.744 -14.316 3.883 1.00 0.00 C ATOM 239 CD GLU A 22 -3.806 -14.389 5.396 1.00 0.00 C ATOM 240 OE1 GLU A 22 -2.811 -14.009 6.050 1.00 0.00 O ATOM 241 OE2 GLU A 22 -4.848 -14.827 5.928 1.00 0.00 O ATOM 0 HA GLU A 22 -2.183 -12.659 2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.597 -12.365 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.629 -12.990 2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.471 -15.008 3.459 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.760 -14.643 3.547 1.00 0.00 H new ATOM 246 N VAL A 23 -2.208 -10.154 1.721 1.00 0.00 N ATOM 247 CA VAL A 23 -2.446 -8.836 1.145 1.00 0.00 C ATOM 248 C VAL A 23 -2.039 -8.789 -0.324 1.00 0.00 C ATOM 249 O VAL A 23 -0.971 -9.272 -0.699 1.00 0.00 O ATOM 250 CB VAL A 23 -1.681 -7.744 1.915 1.00 0.00 C ATOM 251 CG1 VAL A 23 -2.190 -7.642 3.343 1.00 0.00 C ATOM 252 CG2 VAL A 23 -0.186 -8.022 1.892 1.00 0.00 C ATOM 0 H VAL A 23 -1.303 -10.562 1.486 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.517 -8.647 1.224 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.856 -6.787 1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.638 -6.865 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.251 -7.391 3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.047 -8.597 3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.338 -7.240 2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.012 -8.987 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.165 -8.039 0.860 1.00 0.00 H new ATOM 262 N THR A 24 -2.901 -8.202 -1.151 1.00 0.00 N ATOM 263 CA THR A 24 -2.639 -8.085 -2.584 1.00 0.00 C ATOM 264 C THR A 24 -2.871 -6.655 -3.061 1.00 0.00 C ATOM 265 O THR A 24 -3.643 -5.909 -2.458 1.00 0.00 O ATOM 266 CB THR A 24 -3.530 -9.048 -3.368 1.00 0.00 C ATOM 267 OG1 THR A 24 -3.475 -10.349 -2.810 1.00 0.00 O ATOM 268 CG2 THR A 24 -3.150 -9.161 -4.829 1.00 0.00 C ATOM 0 H THR A 24 -3.789 -7.799 -0.853 1.00 0.00 H new ATOM 0 HA THR A 24 -1.595 -8.345 -2.761 1.00 0.00 H new ATOM 0 HB THR A 24 -4.535 -8.630 -3.301 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.053 -10.950 -3.324 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.822 -9.860 -5.327 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.229 -8.182 -5.302 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.125 -9.522 -4.911 1.00 0.00 H new ATOM 276 N MET A 25 -2.200 -6.277 -4.143 1.00 0.00 N ATOM 277 CA MET A 25 -2.338 -4.934 -4.693 1.00 0.00 C ATOM 278 C MET A 25 -2.122 -4.938 -6.206 1.00 0.00 C ATOM 279 O MET A 25 -1.251 -4.239 -6.723 1.00 0.00 O ATOM 280 CB MET A 25 -1.352 -3.980 -4.014 1.00 0.00 C ATOM 281 CG MET A 25 -1.250 -4.184 -2.510 1.00 0.00 C ATOM 282 SD MET A 25 -0.277 -2.904 -1.696 1.00 0.00 S ATOM 283 CE MET A 25 1.371 -3.319 -2.261 1.00 0.00 C ATOM 0 H MET A 25 -1.557 -6.880 -4.656 1.00 0.00 H new ATOM 0 HA MET A 25 -3.353 -4.587 -4.498 1.00 0.00 H new ATOM 0 HB2 MET A 25 -0.366 -4.112 -4.459 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.656 -2.953 -4.214 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.252 -4.200 -2.081 1.00 0.00 H new ATOM 0 HG3 MET A 25 -0.802 -5.157 -2.310 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.009 -2.437 -2.201 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.783 -4.108 -1.632 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.325 -3.665 -3.294 1.00 0.00 H new ATOM 291 N LYS A 26 -2.928 -5.735 -6.907 1.00 0.00 N ATOM 292 CA LYS A 26 -2.843 -5.853 -8.365 1.00 0.00 C ATOM 293 C LYS A 26 -2.599 -4.499 -9.034 1.00 0.00 C ATOM 294 O LYS A 26 -3.399 -3.573 -8.897 1.00 0.00 O ATOM 295 CB LYS A 26 -4.125 -6.479 -8.916 1.00 0.00 C ATOM 296 CG LYS A 26 -3.883 -7.458 -10.052 1.00 0.00 C ATOM 297 CD LYS A 26 -3.110 -8.679 -9.579 1.00 0.00 C ATOM 298 CE LYS A 26 -4.040 -9.842 -9.273 1.00 0.00 C ATOM 299 NZ LYS A 26 -3.288 -11.104 -9.029 1.00 0.00 N ATOM 0 H LYS A 26 -3.654 -6.314 -6.485 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.992 -6.495 -8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.645 -6.994 -8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.786 -5.686 -9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.838 -7.771 -10.474 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.330 -6.962 -10.850 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.393 -8.976 -10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.537 -8.425 -8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.643 -9.604 -8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.729 -9.985 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.958 -11.873 -8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.732 -11.345 -9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.649 -10.976 -8.219 1.00 0.00 H new ATOM 309 N LYS A 27 -1.492 -4.401 -9.767 1.00 0.00 N ATOM 310 CA LYS A 27 -1.137 -3.170 -10.469 1.00 0.00 C ATOM 311 C LYS A 27 -1.122 -1.973 -9.523 1.00 0.00 C ATOM 312 O LYS A 27 -1.493 -2.085 -8.354 1.00 0.00 O ATOM 313 CB LYS A 27 -2.120 -2.914 -11.615 1.00 0.00 C ATOM 314 CG LYS A 27 -1.643 -3.453 -12.954 1.00 0.00 C ATOM 315 CD LYS A 27 -1.412 -4.953 -12.902 1.00 0.00 C ATOM 316 CE LYS A 27 -0.426 -5.402 -13.969 1.00 0.00 C ATOM 317 NZ LYS A 27 -0.497 -6.869 -14.208 1.00 0.00 N ATOM 0 H LYS A 27 -0.824 -5.162 -9.890 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.133 -3.295 -10.873 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.079 -3.370 -11.369 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.291 -1.841 -11.704 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.381 -3.224 -13.723 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.719 -2.952 -13.240 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.036 -5.230 -11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.360 -5.473 -13.039 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.632 -4.872 -14.899 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.585 -5.132 -13.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.190 -7.135 -14.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.276 -7.375 -13.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.455 -7.124 -14.523 1.00 0.00 H new ATOM 327 N GLY A 28 -0.693 -0.825 -10.039 1.00 0.00 N ATOM 328 CA GLY A 28 -0.640 0.381 -9.233 1.00 0.00 C ATOM 329 C GLY A 28 -1.985 1.076 -9.151 1.00 0.00 C ATOM 330 O GLY A 28 -2.128 2.219 -9.583 1.00 0.00 O ATOM 0 H GLY A 28 -0.381 -0.709 -11.003 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.301 0.129 -8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.096 1.066 -9.655 1.00 0.00 H new ATOM 334 N ASP A 29 -2.974 0.383 -8.596 1.00 0.00 N ATOM 335 CA ASP A 29 -4.313 0.943 -8.458 1.00 0.00 C ATOM 336 C ASP A 29 -4.517 1.527 -7.064 1.00 0.00 C ATOM 337 O ASP A 29 -5.632 1.545 -6.543 1.00 0.00 O ATOM 338 CB ASP A 29 -5.368 -0.132 -8.732 1.00 0.00 C ATOM 339 CG ASP A 29 -5.466 -0.482 -10.205 1.00 0.00 C ATOM 340 OD1 ASP A 29 -4.410 -0.609 -10.856 1.00 0.00 O ATOM 341 OD2 ASP A 29 -6.603 -0.628 -10.705 1.00 0.00 O ATOM 0 H ASP A 29 -2.874 -0.566 -8.235 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.422 1.745 -9.188 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.125 -1.029 -8.163 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.338 0.216 -8.378 1.00 0.00 H new ATOM 345 N ILE A 30 -3.429 2.003 -6.464 1.00 0.00 N ATOM 346 CA ILE A 30 -3.474 2.590 -5.128 1.00 0.00 C ATOM 347 C ILE A 30 -4.161 1.654 -4.137 1.00 0.00 C ATOM 348 O ILE A 30 -4.610 0.569 -4.505 1.00 0.00 O ATOM 349 CB ILE A 30 -4.192 3.958 -5.112 1.00 0.00 C ATOM 350 CG1 ILE A 30 -4.226 4.580 -6.512 1.00 0.00 C ATOM 351 CG2 ILE A 30 -3.500 4.895 -4.133 1.00 0.00 C ATOM 352 CD1 ILE A 30 -2.860 4.700 -7.154 1.00 0.00 C ATOM 0 H ILE A 30 -2.500 1.993 -6.885 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.437 2.742 -4.828 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.222 3.802 -4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.868 3.976 -7.153 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.678 5.570 -6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.012 5.857 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.529 4.462 -3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.463 5.037 -4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.961 5.148 -8.142 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.221 5.328 -6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.414 3.710 -7.248 1.00 0.00 H new ATOM 363 N LEU A 31 -4.223 2.072 -2.876 1.00 0.00 N ATOM 364 CA LEU A 31 -4.837 1.254 -1.839 1.00 0.00 C ATOM 365 C LEU A 31 -5.134 2.064 -0.574 1.00 0.00 C ATOM 366 O LEU A 31 -5.325 1.494 0.500 1.00 0.00 O ATOM 367 CB LEU A 31 -3.925 0.070 -1.498 1.00 0.00 C ATOM 368 CG LEU A 31 -2.460 0.420 -1.192 1.00 0.00 C ATOM 369 CD1 LEU A 31 -1.779 1.047 -2.399 1.00 0.00 C ATOM 370 CD2 LEU A 31 -2.367 1.345 0.008 1.00 0.00 C ATOM 0 H LEU A 31 -3.858 2.967 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.787 0.887 -2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.343 -0.449 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.945 -0.631 -2.332 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.940 -0.509 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.744 1.283 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.801 0.347 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.303 1.961 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.321 1.580 0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.912 2.266 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.801 0.855 0.880 1.00 0.00 H new ATOM 381 N THR A 32 -5.175 3.391 -0.702 1.00 0.00 N ATOM 382 CA THR A 32 -5.452 4.265 0.440 1.00 0.00 C ATOM 383 C THR A 32 -4.529 3.948 1.613 1.00 0.00 C ATOM 384 O THR A 32 -3.709 3.036 1.541 1.00 0.00 O ATOM 385 CB THR A 32 -6.910 4.121 0.872 1.00 0.00 C ATOM 386 OG1 THR A 32 -7.735 3.810 -0.237 1.00 0.00 O ATOM 387 CG2 THR A 32 -7.464 5.369 1.519 1.00 0.00 C ATOM 0 H THR A 32 -5.021 3.883 -1.582 1.00 0.00 H new ATOM 0 HA THR A 32 -5.268 5.293 0.129 1.00 0.00 H new ATOM 0 HB THR A 32 -6.916 3.315 1.605 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.664 3.720 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.503 5.201 1.803 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.879 5.608 2.407 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.410 6.199 0.814 1.00 0.00 H new ATOM 395 N LEU A 33 -4.663 4.705 2.698 1.00 0.00 N ATOM 396 CA LEU A 33 -3.832 4.491 3.879 1.00 0.00 C ATOM 397 C LEU A 33 -4.182 5.483 4.984 1.00 0.00 C ATOM 398 O LEU A 33 -4.838 6.494 4.741 1.00 0.00 O ATOM 399 CB LEU A 33 -2.350 4.617 3.517 1.00 0.00 C ATOM 400 CG LEU A 33 -2.024 5.704 2.491 1.00 0.00 C ATOM 401 CD1 LEU A 33 -2.014 7.074 3.151 1.00 0.00 C ATOM 402 CD2 LEU A 33 -0.686 5.422 1.826 1.00 0.00 C ATOM 0 H LEU A 33 -5.335 5.468 2.784 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.026 3.484 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.785 4.817 4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.003 3.659 3.131 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.798 5.698 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.780 7.835 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.994 7.277 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.260 7.093 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.469 6.205 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.099 5.401 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.727 4.458 1.320 1.00 0.00 H new ATOM 413 N LEU A 34 -3.736 5.181 6.199 1.00 0.00 N ATOM 414 CA LEU A 34 -3.997 6.042 7.346 1.00 0.00 C ATOM 415 C LEU A 34 -2.765 6.873 7.691 1.00 0.00 C ATOM 416 O LEU A 34 -2.490 7.139 8.862 1.00 0.00 O ATOM 417 CB LEU A 34 -4.418 5.206 8.554 1.00 0.00 C ATOM 418 CG LEU A 34 -5.629 4.300 8.325 1.00 0.00 C ATOM 419 CD1 LEU A 34 -5.215 3.032 7.596 1.00 0.00 C ATOM 420 CD2 LEU A 34 -6.300 3.963 9.648 1.00 0.00 C ATOM 0 H LEU A 34 -3.192 4.346 6.414 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.809 6.720 7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.574 4.588 8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.638 5.879 9.383 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.347 4.834 7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.089 2.399 7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.781 3.293 6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.478 2.494 8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.159 3.318 9.466 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.590 3.448 10.295 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.632 4.882 10.132 1.00 0.00 H new ATOM 431 N ASN A 35 -2.024 7.279 6.665 1.00 0.00 N ATOM 432 CA ASN A 35 -0.820 8.079 6.856 1.00 0.00 C ATOM 433 C ASN A 35 0.245 7.289 7.612 1.00 0.00 C ATOM 434 O ASN A 35 -0.048 6.635 8.614 1.00 0.00 O ATOM 435 CB ASN A 35 -1.149 9.368 7.613 1.00 0.00 C ATOM 436 CG ASN A 35 -2.274 10.149 6.962 1.00 0.00 C ATOM 437 OD1 ASN A 35 -3.041 9.607 6.166 1.00 0.00 O ATOM 438 ND2 ASN A 35 -2.376 11.429 7.297 1.00 0.00 N ATOM 0 H ASN A 35 -2.237 7.066 5.690 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.427 8.336 5.872 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.426 9.123 8.638 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.258 9.994 7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.113 12.005 6.890 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.718 11.836 7.961 1.00 0.00 H new ATOM 444 N SER A 36 1.482 7.357 7.126 1.00 0.00 N ATOM 445 CA SER A 36 2.595 6.650 7.755 1.00 0.00 C ATOM 446 C SER A 36 3.467 7.611 8.556 1.00 0.00 C ATOM 447 O SER A 36 3.126 8.782 8.720 1.00 0.00 O ATOM 448 CB SER A 36 3.440 5.942 6.694 1.00 0.00 C ATOM 449 OG SER A 36 2.620 5.271 5.753 1.00 0.00 O ATOM 0 H SER A 36 1.739 7.895 6.298 1.00 0.00 H new ATOM 0 HA SER A 36 2.182 5.907 8.438 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.068 6.669 6.180 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.108 5.227 7.174 1.00 0.00 H new ATOM 0 HG SER A 36 3.184 4.828 5.085 1.00 0.00 H new ATOM 454 N THR A 37 4.597 7.109 9.052 1.00 0.00 N ATOM 455 CA THR A 37 5.520 7.926 9.837 1.00 0.00 C ATOM 456 C THR A 37 6.763 7.128 10.224 1.00 0.00 C ATOM 457 O THR A 37 6.983 6.830 11.398 1.00 0.00 O ATOM 458 CB THR A 37 4.822 8.455 11.092 1.00 0.00 C ATOM 459 OG1 THR A 37 3.721 7.634 11.438 1.00 0.00 O ATOM 460 CG2 THR A 37 4.308 9.871 10.940 1.00 0.00 C ATOM 0 H THR A 37 4.895 6.142 8.924 1.00 0.00 H new ATOM 0 HA THR A 37 5.834 8.770 9.222 1.00 0.00 H new ATOM 0 HB THR A 37 5.584 8.444 11.872 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.289 7.988 12.243 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.824 10.184 11.865 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.141 10.539 10.722 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.588 9.911 10.123 1.00 0.00 H new ATOM 468 N ASN A 38 7.577 6.791 9.227 1.00 0.00 N ATOM 469 CA ASN A 38 8.799 6.033 9.465 1.00 0.00 C ATOM 470 C ASN A 38 9.635 5.934 8.185 1.00 0.00 C ATOM 471 O ASN A 38 10.426 6.829 7.889 1.00 0.00 O ATOM 472 CB ASN A 38 8.463 4.640 10.012 1.00 0.00 C ATOM 473 CG ASN A 38 9.692 3.763 10.170 1.00 0.00 C ATOM 474 OD1 ASN A 38 10.823 4.222 10.010 1.00 0.00 O ATOM 475 ND2 ASN A 38 9.474 2.492 10.487 1.00 0.00 N ATOM 0 H ASN A 38 7.412 7.031 8.249 1.00 0.00 H new ATOM 0 HA ASN A 38 9.394 6.559 10.211 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.968 4.743 10.978 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.756 4.151 9.342 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.261 1.854 10.607 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.520 2.154 10.610 1.00 0.00 H new ATOM 481 N LYS A 39 9.460 4.851 7.428 1.00 0.00 N ATOM 482 CA LYS A 39 10.205 4.657 6.185 1.00 0.00 C ATOM 483 C LYS A 39 9.938 3.274 5.595 1.00 0.00 C ATOM 484 O LYS A 39 10.844 2.634 5.058 1.00 0.00 O ATOM 485 CB LYS A 39 11.708 4.840 6.427 1.00 0.00 C ATOM 486 CG LYS A 39 12.353 5.856 5.500 1.00 0.00 C ATOM 487 CD LYS A 39 13.524 6.559 6.171 1.00 0.00 C ATOM 488 CE LYS A 39 13.903 7.834 5.437 1.00 0.00 C ATOM 489 NZ LYS A 39 14.754 7.557 4.247 1.00 0.00 N ATOM 0 H LYS A 39 8.811 4.097 7.653 1.00 0.00 H new ATOM 0 HA LYS A 39 9.865 5.407 5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.866 5.151 7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.207 3.879 6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.698 5.357 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.611 6.594 5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.265 6.795 7.203 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.382 5.888 6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.998 8.355 5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.435 8.500 6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.991 8.452 3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.629 7.083 4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.237 6.942 3.586 1.00 0.00 H new ATOM 499 N ASP A 40 8.693 2.816 5.692 1.00 0.00 N ATOM 500 CA ASP A 40 8.316 1.509 5.163 1.00 0.00 C ATOM 501 C ASP A 40 6.859 1.186 5.484 1.00 0.00 C ATOM 502 O ASP A 40 6.565 0.553 6.498 1.00 0.00 O ATOM 503 CB ASP A 40 9.226 0.417 5.735 1.00 0.00 C ATOM 504 CG ASP A 40 9.394 0.534 7.237 1.00 0.00 C ATOM 505 OD1 ASP A 40 10.263 1.313 7.679 1.00 0.00 O ATOM 506 OD2 ASP A 40 8.655 -0.155 7.973 1.00 0.00 O ATOM 0 H ASP A 40 7.929 3.330 6.131 1.00 0.00 H new ATOM 0 HA ASP A 40 8.433 1.542 4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.811 -0.562 5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.204 0.475 5.257 1.00 0.00 H new ATOM 510 N TRP A 41 5.955 1.626 4.609 1.00 0.00 N ATOM 511 CA TRP A 41 4.520 1.389 4.782 1.00 0.00 C ATOM 512 C TRP A 41 4.070 1.679 6.215 1.00 0.00 C ATOM 513 O TRP A 41 4.851 2.153 7.039 1.00 0.00 O ATOM 514 CB TRP A 41 4.165 -0.050 4.397 1.00 0.00 C ATOM 515 CG TRP A 41 4.962 -1.084 5.132 1.00 0.00 C ATOM 516 CD1 TRP A 41 6.145 -1.638 4.737 1.00 0.00 C ATOM 517 CD2 TRP A 41 4.636 -1.687 6.390 1.00 0.00 C ATOM 518 NE1 TRP A 41 6.576 -2.547 5.672 1.00 0.00 N ATOM 519 CE2 TRP A 41 5.667 -2.595 6.695 1.00 0.00 C ATOM 520 CE3 TRP A 41 3.574 -1.545 7.288 1.00 0.00 C ATOM 521 CZ2 TRP A 41 5.665 -3.358 7.861 1.00 0.00 C ATOM 522 CZ3 TRP A 41 3.575 -2.302 8.444 1.00 0.00 C ATOM 523 CH2 TRP A 41 4.614 -3.198 8.722 1.00 0.00 C ATOM 0 H TRP A 41 6.192 2.152 3.768 1.00 0.00 H new ATOM 0 HA TRP A 41 3.991 2.075 4.121 1.00 0.00 H new ATOM 0 HB2 TRP A 41 3.105 -0.217 4.589 1.00 0.00 H new ATOM 0 HB3 TRP A 41 4.319 -0.179 3.326 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.666 -1.397 3.822 1.00 0.00 H new ATOM 0 HE1 TRP A 41 7.433 -3.097 5.614 1.00 0.00 H new ATOM 0 HE3 TRP A 41 2.768 -0.856 7.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 6.465 -4.051 8.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.760 -2.201 9.145 1.00 0.00 H new ATOM 0 HH2 TRP A 41 4.585 -3.775 9.635 1.00 0.00 H new ATOM 533 N TRP A 42 2.803 1.393 6.501 1.00 0.00 N ATOM 534 CA TRP A 42 2.247 1.622 7.831 1.00 0.00 C ATOM 535 C TRP A 42 0.754 1.306 7.857 1.00 0.00 C ATOM 536 O TRP A 42 -0.081 2.191 7.673 1.00 0.00 O ATOM 537 CB TRP A 42 2.485 3.069 8.271 1.00 0.00 C ATOM 538 CG TRP A 42 3.444 3.187 9.415 1.00 0.00 C ATOM 539 CD1 TRP A 42 4.711 3.697 9.375 1.00 0.00 C ATOM 540 CD2 TRP A 42 3.216 2.785 10.771 1.00 0.00 C ATOM 541 NE1 TRP A 42 5.283 3.638 10.623 1.00 0.00 N ATOM 542 CE2 TRP A 42 4.385 3.081 11.497 1.00 0.00 C ATOM 543 CE3 TRP A 42 2.136 2.204 11.442 1.00 0.00 C ATOM 544 CZ2 TRP A 42 4.504 2.816 12.859 1.00 0.00 C ATOM 545 CZ3 TRP A 42 2.255 1.941 12.794 1.00 0.00 C ATOM 546 CH2 TRP A 42 3.431 2.248 13.489 1.00 0.00 C ATOM 0 H TRP A 42 2.142 1.002 5.830 1.00 0.00 H new ATOM 0 HA TRP A 42 2.754 0.955 8.528 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.866 3.641 7.425 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.533 3.517 8.556 1.00 0.00 H new ATOM 0 HD1 TRP A 42 5.193 4.089 8.491 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.222 3.957 10.861 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.225 1.965 10.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 5.410 3.050 13.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.427 1.491 13.323 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.492 2.032 14.545 1.00 0.00 H new ATOM 556 N LYS A 43 0.427 0.039 8.090 1.00 0.00 N ATOM 557 CA LYS A 43 -0.964 -0.394 8.144 1.00 0.00 C ATOM 558 C LYS A 43 -1.678 -0.098 6.826 1.00 0.00 C ATOM 559 O LYS A 43 -2.646 0.663 6.788 1.00 0.00 O ATOM 560 CB LYS A 43 -1.689 0.291 9.304 1.00 0.00 C ATOM 561 CG LYS A 43 -1.804 -0.577 10.545 1.00 0.00 C ATOM 562 CD LYS A 43 -3.047 -0.236 11.349 1.00 0.00 C ATOM 563 CE LYS A 43 -3.587 -1.454 12.083 1.00 0.00 C ATOM 564 NZ LYS A 43 -2.520 -2.169 12.834 1.00 0.00 N ATOM 0 H LYS A 43 1.107 -0.706 8.244 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.979 -1.472 8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.161 1.209 9.560 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.688 0.579 8.978 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.834 -1.627 10.254 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.919 -0.444 11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.813 0.549 12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.815 0.159 10.684 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.371 -1.143 12.774 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.045 -2.136 11.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.952 -2.874 13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.884 -2.647 12.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.976 -1.486 13.400 1.00 0.00 H new ATOM 574 N VAL A 44 -1.194 -0.706 5.749 1.00 0.00 N ATOM 575 CA VAL A 44 -1.787 -0.511 4.432 1.00 0.00 C ATOM 576 C VAL A 44 -3.068 -1.328 4.284 1.00 0.00 C ATOM 577 O VAL A 44 -3.053 -2.432 3.742 1.00 0.00 O ATOM 578 CB VAL A 44 -0.800 -0.900 3.313 1.00 0.00 C ATOM 579 CG1 VAL A 44 -1.465 -0.820 1.946 1.00 0.00 C ATOM 580 CG2 VAL A 44 0.434 -0.012 3.364 1.00 0.00 C ATOM 0 H VAL A 44 -0.393 -1.338 5.762 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.026 0.548 4.339 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.491 -1.933 3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.747 -1.099 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.315 -1.502 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.810 0.199 1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.122 -0.298 2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.139 1.029 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.927 -0.129 4.329 1.00 0.00 H new ATOM 590 N GLU A 45 -4.174 -0.778 4.774 1.00 0.00 N ATOM 591 CA GLU A 45 -5.462 -1.457 4.698 1.00 0.00 C ATOM 592 C GLU A 45 -6.315 -0.883 3.572 1.00 0.00 C ATOM 593 O GLU A 45 -6.914 0.183 3.715 1.00 0.00 O ATOM 594 CB GLU A 45 -6.207 -1.338 6.028 1.00 0.00 C ATOM 595 CG GLU A 45 -5.486 -2.003 7.190 1.00 0.00 C ATOM 596 CD GLU A 45 -5.034 -1.010 8.243 1.00 0.00 C ATOM 597 OE1 GLU A 45 -4.882 0.184 7.906 1.00 0.00 O ATOM 598 OE2 GLU A 45 -4.833 -1.425 9.403 1.00 0.00 O ATOM 0 H GLU A 45 -4.204 0.135 5.228 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.275 -2.510 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.355 -0.283 6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.196 -1.783 5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.147 -2.738 7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.619 -2.545 6.812 1.00 0.00 H new ATOM 603 N VAL A 46 -6.366 -1.597 2.452 1.00 0.00 N ATOM 604 CA VAL A 46 -7.148 -1.160 1.303 1.00 0.00 C ATOM 605 C VAL A 46 -8.619 -0.999 1.671 1.00 0.00 C ATOM 606 O VAL A 46 -9.325 -0.164 1.106 1.00 0.00 O ATOM 607 CB VAL A 46 -7.031 -2.152 0.129 1.00 0.00 C ATOM 608 CG1 VAL A 46 -7.607 -1.545 -1.142 1.00 0.00 C ATOM 609 CG2 VAL A 46 -5.581 -2.568 -0.079 1.00 0.00 C ATOM 0 H VAL A 46 -5.875 -2.481 2.317 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.743 -0.196 0.994 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.608 -3.044 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.516 -2.259 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.659 -1.304 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.060 -0.636 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.519 -3.268 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.978 -1.687 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.206 -3.047 0.826 1.00 0.00 H new ATOM 619 N ASN A 47 -9.073 -1.804 2.626 1.00 0.00 N ATOM 620 CA ASN A 47 -10.458 -1.754 3.076 1.00 0.00 C ATOM 621 C ASN A 47 -10.568 -2.180 4.536 1.00 0.00 C ATOM 622 O ASN A 47 -11.064 -1.430 5.377 1.00 0.00 O ATOM 623 CB ASN A 47 -11.335 -2.652 2.202 1.00 0.00 C ATOM 624 CG ASN A 47 -11.640 -2.029 0.853 1.00 0.00 C ATOM 625 OD1 ASN A 47 -12.158 -0.915 0.774 1.00 0.00 O ATOM 626 ND2 ASN A 47 -11.320 -2.747 -0.216 1.00 0.00 N ATOM 0 H ASN A 47 -8.500 -2.500 3.104 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.806 -0.725 2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.834 -3.609 2.052 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.270 -2.859 2.723 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.502 -2.380 -1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.892 -3.666 -0.104 1.00 0.00 H new ATOM 632 N ASP A 48 -10.101 -3.390 4.828 1.00 0.00 N ATOM 633 CA ASP A 48 -10.143 -3.920 6.187 1.00 0.00 C ATOM 634 C ASP A 48 -9.527 -5.315 6.246 1.00 0.00 C ATOM 635 O ASP A 48 -9.590 -6.070 5.277 1.00 0.00 O ATOM 636 CB ASP A 48 -11.585 -3.966 6.698 1.00 0.00 C ATOM 637 CG ASP A 48 -12.489 -4.792 5.804 1.00 0.00 C ATOM 638 OD1 ASP A 48 -12.782 -4.342 4.676 1.00 0.00 O ATOM 639 OD2 ASP A 48 -12.905 -5.889 6.233 1.00 0.00 O ATOM 0 H ASP A 48 -9.689 -4.022 4.142 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.560 -3.256 6.826 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.597 -4.381 7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.976 -2.951 6.767 1.00 0.00 H new ATOM 643 N ARG A 49 -8.931 -5.645 7.392 1.00 0.00 N ATOM 644 CA ARG A 49 -8.298 -6.951 7.595 1.00 0.00 C ATOM 645 C ARG A 49 -6.942 -7.040 6.880 1.00 0.00 C ATOM 646 O ARG A 49 -6.187 -7.991 7.088 1.00 0.00 O ATOM 647 CB ARG A 49 -9.251 -8.086 7.156 1.00 0.00 C ATOM 648 CG ARG A 49 -8.649 -9.115 6.202 1.00 0.00 C ATOM 649 CD ARG A 49 -8.572 -8.586 4.779 1.00 0.00 C ATOM 650 NE ARG A 49 -8.297 -9.648 3.815 1.00 0.00 N ATOM 651 CZ ARG A 49 -7.117 -10.253 3.694 1.00 0.00 C ATOM 652 NH1 ARG A 49 -6.103 -9.907 4.478 1.00 0.00 N ATOM 653 NH2 ARG A 49 -6.952 -11.208 2.790 1.00 0.00 N ATOM 0 H ARG A 49 -8.873 -5.023 8.198 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.100 -7.070 8.660 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.605 -8.605 8.047 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.124 -7.640 6.679 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.650 -9.387 6.543 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.251 -10.024 6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.512 -8.098 4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.791 -7.828 4.716 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.053 -9.944 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.226 -9.175 5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.201 -10.374 4.381 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.729 -11.479 2.187 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.048 -11.672 2.697 1.00 0.00 H new ATOM 664 N GLN A 50 -6.626 -6.048 6.049 1.00 0.00 N ATOM 665 CA GLN A 50 -5.359 -6.033 5.327 1.00 0.00 C ATOM 666 C GLN A 50 -4.312 -5.226 6.086 1.00 0.00 C ATOM 667 O GLN A 50 -4.514 -4.864 7.246 1.00 0.00 O ATOM 668 CB GLN A 50 -5.552 -5.452 3.925 1.00 0.00 C ATOM 669 CG GLN A 50 -6.771 -5.996 3.201 1.00 0.00 C ATOM 670 CD GLN A 50 -6.535 -7.377 2.621 1.00 0.00 C ATOM 671 OE1 GLN A 50 -5.479 -7.976 2.825 1.00 0.00 O ATOM 672 NE2 GLN A 50 -7.521 -7.890 1.893 1.00 0.00 N ATOM 0 H GLN A 50 -7.229 -5.247 5.861 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.007 -7.061 5.239 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.638 -4.368 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.663 -5.661 3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.613 -6.035 3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.049 -5.312 2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.379 -7.358 1.750 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.420 -8.816 1.477 1.00 0.00 H new ATOM 679 N GLY A 51 -3.189 -4.943 5.424 1.00 0.00 N ATOM 680 CA GLY A 51 -2.126 -4.176 6.054 1.00 0.00 C ATOM 681 C GLY A 51 -0.753 -4.777 5.820 1.00 0.00 C ATOM 682 O GLY A 51 -0.636 -5.921 5.377 1.00 0.00 O ATOM 0 H GLY A 51 -2.998 -5.231 4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.142 -3.156 5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.314 -4.115 7.126 1.00 0.00 H new ATOM 686 N PHE A 52 0.285 -4.005 6.122 1.00 0.00 N ATOM 687 CA PHE A 52 1.661 -4.461 5.948 1.00 0.00 C ATOM 688 C PHE A 52 1.966 -4.745 4.479 1.00 0.00 C ATOM 689 O PHE A 52 1.493 -5.731 3.916 1.00 0.00 O ATOM 690 CB PHE A 52 1.917 -5.716 6.785 1.00 0.00 C ATOM 691 CG PHE A 52 1.849 -5.473 8.267 1.00 0.00 C ATOM 692 CD1 PHE A 52 0.671 -5.042 8.859 1.00 0.00 C ATOM 693 CD2 PHE A 52 2.962 -5.676 9.066 1.00 0.00 C ATOM 694 CE1 PHE A 52 0.607 -4.820 10.221 1.00 0.00 C ATOM 695 CE2 PHE A 52 2.902 -5.454 10.429 1.00 0.00 C ATOM 696 CZ PHE A 52 1.723 -5.025 11.007 1.00 0.00 C ATOM 0 H PHE A 52 0.200 -3.057 6.490 1.00 0.00 H new ATOM 0 HA PHE A 52 2.322 -3.664 6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.185 -6.478 6.516 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.900 -6.115 6.535 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.205 -4.878 8.249 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.886 -6.011 8.619 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.316 -4.486 10.671 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.776 -5.616 11.042 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.675 -4.850 12.072 1.00 0.00 H new ATOM 705 N VAL A 53 2.765 -3.875 3.866 1.00 0.00 N ATOM 706 CA VAL A 53 3.140 -4.032 2.465 1.00 0.00 C ATOM 707 C VAL A 53 4.460 -3.317 2.163 1.00 0.00 C ATOM 708 O VAL A 53 4.502 -2.090 2.072 1.00 0.00 O ATOM 709 CB VAL A 53 2.043 -3.497 1.523 1.00 0.00 C ATOM 710 CG1 VAL A 53 0.731 -4.228 1.760 1.00 0.00 C ATOM 711 CG2 VAL A 53 1.860 -1.997 1.699 1.00 0.00 C ATOM 0 H VAL A 53 3.165 -3.053 4.319 1.00 0.00 H new ATOM 0 HA VAL A 53 3.264 -5.101 2.289 1.00 0.00 H new ATOM 0 HB VAL A 53 2.359 -3.681 0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.031 -3.836 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.869 -5.293 1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.413 -4.080 2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.081 -1.644 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.572 -1.784 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.796 -1.487 1.471 1.00 0.00 H new ATOM 721 N PRO A 54 5.562 -4.075 2.008 1.00 0.00 N ATOM 722 CA PRO A 54 6.882 -3.500 1.721 1.00 0.00 C ATOM 723 C PRO A 54 6.893 -2.688 0.431 1.00 0.00 C ATOM 724 O PRO A 54 7.090 -3.233 -0.656 1.00 0.00 O ATOM 725 CB PRO A 54 7.793 -4.726 1.587 1.00 0.00 C ATOM 726 CG PRO A 54 7.076 -5.816 2.303 1.00 0.00 C ATOM 727 CD PRO A 54 5.614 -5.544 2.107 1.00 0.00 C ATOM 0 HA PRO A 54 7.196 -2.805 2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.958 -4.983 0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.772 -4.541 2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 54 7.349 -6.792 1.902 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.333 -5.823 3.362 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.231 -6.023 1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.019 -5.914 2.942 1.00 0.00 H new ATOM 732 N ALA A 55 6.685 -1.383 0.559 1.00 0.00 N ATOM 733 CA ALA A 55 6.675 -0.496 -0.598 1.00 0.00 C ATOM 734 C ALA A 55 8.023 -0.512 -1.307 1.00 0.00 C ATOM 735 O ALA A 55 8.912 0.278 -0.991 1.00 0.00 O ATOM 736 CB ALA A 55 6.316 0.920 -0.175 1.00 0.00 C ATOM 0 H ALA A 55 6.521 -0.916 1.451 1.00 0.00 H new ATOM 0 HA ALA A 55 5.919 -0.856 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.312 1.571 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.327 0.923 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.051 1.282 0.544 1.00 0.00 H new ATOM 742 N ALA A 56 8.171 -1.421 -2.268 1.00 0.00 N ATOM 743 CA ALA A 56 9.415 -1.544 -3.021 1.00 0.00 C ATOM 744 C ALA A 56 9.834 -0.201 -3.618 1.00 0.00 C ATOM 745 O ALA A 56 10.692 0.490 -3.070 1.00 0.00 O ATOM 746 CB ALA A 56 9.265 -2.588 -4.117 1.00 0.00 C ATOM 0 H ALA A 56 7.445 -2.082 -2.543 1.00 0.00 H new ATOM 0 HA ALA A 56 10.198 -1.864 -2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.200 -2.670 -4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.022 -3.552 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.466 -2.291 -4.796 1.00 0.00 H new ATOM 752 N TYR A 57 9.221 0.164 -4.740 1.00 0.00 N ATOM 753 CA TYR A 57 9.530 1.425 -5.404 1.00 0.00 C ATOM 754 C TYR A 57 8.251 2.157 -5.794 1.00 0.00 C ATOM 755 O TYR A 57 7.642 1.860 -6.821 1.00 0.00 O ATOM 756 CB TYR A 57 10.392 1.179 -6.644 1.00 0.00 C ATOM 757 CG TYR A 57 9.857 0.097 -7.555 1.00 0.00 C ATOM 758 CD1 TYR A 57 10.140 -1.241 -7.316 1.00 0.00 C ATOM 759 CD2 TYR A 57 9.069 0.415 -8.654 1.00 0.00 C ATOM 760 CE1 TYR A 57 9.655 -2.233 -8.147 1.00 0.00 C ATOM 761 CE2 TYR A 57 8.581 -0.570 -9.489 1.00 0.00 C ATOM 762 CZ TYR A 57 8.876 -1.893 -9.233 1.00 0.00 C ATOM 763 OH TYR A 57 8.390 -2.876 -10.062 1.00 0.00 O ATOM 0 H TYR A 57 8.508 -0.395 -5.208 1.00 0.00 H new ATOM 0 HA TYR A 57 10.088 2.049 -4.705 1.00 0.00 H new ATOM 0 HB2 TYR A 57 10.474 2.108 -7.208 1.00 0.00 H new ATOM 0 HB3 TYR A 57 11.399 0.909 -6.327 1.00 0.00 H new ATOM 0 HD1 TYR A 57 10.749 -1.511 -6.466 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.834 1.449 -8.858 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.885 -3.269 -7.947 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.970 -0.306 -10.340 1.00 0.00 H new ATOM 0 HH TYR A 57 8.753 -3.744 -9.788 1.00 0.00 H new ATOM 772 N VAL A 58 7.847 3.114 -4.965 1.00 0.00 N ATOM 773 CA VAL A 58 6.636 3.884 -5.221 1.00 0.00 C ATOM 774 C VAL A 58 6.878 5.378 -5.036 1.00 0.00 C ATOM 775 O VAL A 58 7.905 5.790 -4.499 1.00 0.00 O ATOM 776 CB VAL A 58 5.479 3.452 -4.296 1.00 0.00 C ATOM 777 CG1 VAL A 58 4.138 3.754 -4.948 1.00 0.00 C ATOM 778 CG2 VAL A 58 5.587 1.976 -3.939 1.00 0.00 C ATOM 0 H VAL A 58 8.340 3.374 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 58 6.359 3.686 -6.256 1.00 0.00 H new ATOM 0 HB VAL A 58 5.550 4.024 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.332 3.443 -4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.059 4.824 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.061 3.211 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.759 1.698 -3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.548 1.378 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.531 1.794 -3.425 1.00 0.00 H new ATOM 788 N LYS A 59 5.919 6.186 -5.481 1.00 0.00 N ATOM 789 CA LYS A 59 6.022 7.635 -5.363 1.00 0.00 C ATOM 790 C LYS A 59 5.657 8.093 -3.953 1.00 0.00 C ATOM 791 O LYS A 59 4.822 7.478 -3.291 1.00 0.00 O ATOM 792 CB LYS A 59 5.110 8.318 -6.383 1.00 0.00 C ATOM 793 CG LYS A 59 3.635 8.021 -6.176 1.00 0.00 C ATOM 794 CD LYS A 59 2.884 7.987 -7.498 1.00 0.00 C ATOM 795 CE LYS A 59 1.510 8.629 -7.375 1.00 0.00 C ATOM 796 NZ LYS A 59 1.505 10.030 -7.880 1.00 0.00 N ATOM 0 H LYS A 59 5.062 5.860 -5.927 1.00 0.00 H new ATOM 0 HA LYS A 59 7.056 7.917 -5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.265 9.396 -6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.399 8.001 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.523 7.063 -5.668 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.197 8.779 -5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.463 8.508 -8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.776 6.954 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.782 8.039 -7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.196 8.618 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.551 10.432 -7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.181 10.599 -7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.780 10.038 -8.883 1.00 0.00 H new ATOM 806 N LYS A 60 6.287 9.175 -3.506 1.00 0.00 N ATOM 807 CA LYS A 60 6.033 9.720 -2.175 1.00 0.00 C ATOM 808 C LYS A 60 6.460 8.736 -1.089 1.00 0.00 C ATOM 809 O LYS A 60 7.497 8.915 -0.450 1.00 0.00 O ATOM 810 CB LYS A 60 4.551 10.071 -2.016 1.00 0.00 C ATOM 811 CG LYS A 60 4.209 10.666 -0.659 1.00 0.00 C ATOM 812 CD LYS A 60 4.125 12.183 -0.718 1.00 0.00 C ATOM 813 CE LYS A 60 5.402 12.833 -0.211 1.00 0.00 C ATOM 814 NZ LYS A 60 5.152 14.192 0.342 1.00 0.00 N ATOM 0 H LYS A 60 6.979 9.693 -4.047 1.00 0.00 H new ATOM 0 HA LYS A 60 6.625 10.628 -2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.268 10.778 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.955 9.172 -2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.258 10.262 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.965 10.371 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.938 12.498 -1.745 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.280 12.525 -0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.848 12.204 0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.123 12.900 -1.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.048 14.601 0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.750 14.800 -0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.483 14.126 1.136 1.00 0.00 H new