USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 470 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 78 SER OG : rot -47:sc= 0.28 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.201 USER MOD Single : A 93 HIS : no HD1:sc= 0.00672 X(o=0.0067,f=-0.33) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 98 SER OG : rot 180:sc= 0.662 USER MOD Single : A 100 GLN : amide:sc= -0.22 K(o=-0.22,f=-2.7!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.086) USER MOD Single : A 105 MET CE :methyl -118:sc= -3.44! (180deg=-4.13!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -138:sc= 1.32! USER MOD Single : A 131 ASN : amide:sc= -1.43 K(o=-1.4,f=-6.7!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 78 20.031 -1.258 2.607 1.00 0.00 N ATOM 2 CA SER A 78 19.721 0.197 2.714 1.00 0.00 C ATOM 3 C SER A 78 18.292 0.474 2.237 1.00 0.00 C ATOM 4 O SER A 78 17.445 0.895 3.002 1.00 0.00 O ATOM 5 CB SER A 78 20.733 0.888 1.801 1.00 0.00 C ATOM 6 OG SER A 78 20.582 0.397 0.476 1.00 0.00 O ATOM 0 HA SER A 78 19.787 0.556 3.741 1.00 0.00 H new ATOM 0 HB2 SER A 78 20.580 1.967 1.821 1.00 0.00 H new ATOM 0 HB3 SER A 78 21.747 0.703 2.156 1.00 0.00 H new ATOM 0 HG SER A 78 20.533 -0.582 0.493 1.00 0.00 H new ATOM 12 N GLU A 79 18.025 0.244 0.977 1.00 0.00 N ATOM 13 CA GLU A 79 16.652 0.499 0.439 1.00 0.00 C ATOM 14 C GLU A 79 15.629 -0.411 1.126 1.00 0.00 C ATOM 15 O GLU A 79 15.983 -1.381 1.769 1.00 0.00 O ATOM 16 CB GLU A 79 16.732 0.189 -1.062 1.00 0.00 C ATOM 17 CG GLU A 79 17.151 -1.272 -1.275 1.00 0.00 C ATOM 18 CD GLU A 79 17.976 -1.388 -2.557 1.00 0.00 C ATOM 19 OE1 GLU A 79 18.724 -0.467 -2.844 1.00 0.00 O ATOM 20 OE2 GLU A 79 17.847 -2.397 -3.232 1.00 0.00 O ATOM 0 H GLU A 79 18.697 -0.109 0.296 1.00 0.00 H new ATOM 0 HA GLU A 79 16.332 1.525 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 79 15.765 0.371 -1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.449 0.855 -1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.734 -1.622 -0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.268 -1.908 -1.340 1.00 0.00 H new ATOM 27 N ASP A 80 14.362 -0.105 0.987 1.00 0.00 N ATOM 28 CA ASP A 80 13.309 -0.951 1.626 1.00 0.00 C ATOM 29 C ASP A 80 12.143 -1.139 0.656 1.00 0.00 C ATOM 30 O ASP A 80 12.279 -0.907 -0.531 1.00 0.00 O ATOM 31 CB ASP A 80 12.861 -0.168 2.861 1.00 0.00 C ATOM 32 CG ASP A 80 14.047 0.011 3.811 1.00 0.00 C ATOM 33 OD1 ASP A 80 14.842 0.905 3.572 1.00 0.00 O ATOM 34 OD2 ASP A 80 14.139 -0.747 4.762 1.00 0.00 O ATOM 0 H ASP A 80 14.013 0.694 0.458 1.00 0.00 H new ATOM 0 HA ASP A 80 13.674 -1.943 1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.469 0.805 2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.053 -0.697 3.367 1.00 0.00 H new ATOM 39 N ILE A 81 10.997 -1.545 1.146 1.00 0.00 N ATOM 40 CA ILE A 81 9.830 -1.729 0.237 1.00 0.00 C ATOM 41 C ILE A 81 8.655 -0.856 0.684 1.00 0.00 C ATOM 42 O ILE A 81 7.530 -1.303 0.731 1.00 0.00 O ATOM 43 CB ILE A 81 9.474 -3.228 0.263 1.00 0.00 C ATOM 44 CG1 ILE A 81 8.908 -3.659 1.647 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.710 -4.056 -0.133 1.00 0.00 C ATOM 46 CD1 ILE A 81 9.991 -4.220 2.591 1.00 0.00 C ATOM 0 H ILE A 81 10.823 -1.755 2.129 1.00 0.00 H new ATOM 0 HA ILE A 81 10.069 -1.420 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 81 8.683 -3.415 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.429 -2.802 2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.136 -4.414 1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.459 -5.116 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.029 -3.776 -1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.519 -3.863 0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.535 -4.503 3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.453 -5.095 2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.751 -3.458 2.766 1.00 0.00 H new ATOM 58 N ILE A 82 8.900 0.396 0.994 1.00 0.00 N ATOM 59 CA ILE A 82 7.769 1.286 1.418 1.00 0.00 C ATOM 60 C ILE A 82 7.293 2.082 0.216 1.00 0.00 C ATOM 61 O ILE A 82 8.085 2.534 -0.584 1.00 0.00 O ATOM 62 CB ILE A 82 8.290 2.254 2.496 1.00 0.00 C ATOM 63 CG1 ILE A 82 9.315 1.582 3.424 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.104 2.751 3.332 1.00 0.00 C ATOM 65 CD1 ILE A 82 8.715 0.326 4.053 1.00 0.00 C ATOM 0 H ILE A 82 9.820 0.836 0.973 1.00 0.00 H new ATOM 0 HA ILE A 82 6.945 0.693 1.814 1.00 0.00 H new ATOM 0 HB ILE A 82 8.788 3.084 1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 82 10.211 1.322 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.620 2.278 4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.462 3.438 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.394 3.267 2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.612 1.902 3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.451 -0.140 4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.832 0.596 4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.433 -0.375 3.267 1.00 0.00 H new ATOM 77 N VAL A 83 6.012 2.255 0.084 1.00 0.00 N ATOM 78 CA VAL A 83 5.481 3.020 -1.071 1.00 0.00 C ATOM 79 C VAL A 83 4.566 4.149 -0.589 1.00 0.00 C ATOM 80 O VAL A 83 4.255 4.253 0.584 1.00 0.00 O ATOM 81 CB VAL A 83 4.694 1.989 -1.893 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.620 0.848 -2.336 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.542 1.418 -1.054 1.00 0.00 C ATOM 0 H VAL A 83 5.307 1.898 0.729 1.00 0.00 H new ATOM 0 HA VAL A 83 6.270 3.492 -1.656 1.00 0.00 H new ATOM 0 HB VAL A 83 4.287 2.483 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.051 0.123 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.427 1.251 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.040 0.358 -1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.989 0.688 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.945 0.935 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.873 2.226 -0.757 1.00 0.00 H new ATOM 93 N VAL A 84 4.120 4.979 -1.492 1.00 0.00 N ATOM 94 CA VAL A 84 3.207 6.089 -1.102 1.00 0.00 C ATOM 95 C VAL A 84 1.958 6.055 -1.989 1.00 0.00 C ATOM 96 O VAL A 84 2.046 6.094 -3.204 1.00 0.00 O ATOM 97 CB VAL A 84 4.021 7.389 -1.292 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.176 7.738 -2.776 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.300 8.540 -0.593 1.00 0.00 C ATOM 0 H VAL A 84 4.349 4.936 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 84 2.860 6.010 -0.072 1.00 0.00 H new ATOM 0 HB VAL A 84 5.011 7.234 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.753 8.657 -2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.694 6.927 -3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.191 7.878 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.870 9.460 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.307 8.664 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.207 8.319 0.470 1.00 0.00 H new ATOM 109 N ALA A 85 0.801 5.973 -1.392 1.00 0.00 N ATOM 110 CA ALA A 85 -0.449 5.943 -2.203 1.00 0.00 C ATOM 111 C ALA A 85 -0.614 7.286 -2.902 1.00 0.00 C ATOM 112 O ALA A 85 -0.710 8.318 -2.256 1.00 0.00 O ATOM 113 CB ALA A 85 -1.577 5.724 -1.203 1.00 0.00 C ATOM 0 H ALA A 85 0.667 5.926 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.439 5.164 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.530 5.691 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.420 4.782 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.589 6.542 -0.483 1.00 0.00 H new ATOM 119 N LEU A 86 -0.640 7.277 -4.216 1.00 0.00 N ATOM 120 CA LEU A 86 -0.779 8.550 -4.984 1.00 0.00 C ATOM 121 C LEU A 86 -2.241 8.838 -5.336 1.00 0.00 C ATOM 122 O LEU A 86 -2.530 9.796 -6.026 1.00 0.00 O ATOM 123 CB LEU A 86 0.019 8.330 -6.272 1.00 0.00 C ATOM 124 CG LEU A 86 1.488 8.049 -5.943 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.203 7.559 -7.204 1.00 0.00 C ATOM 126 CD2 LEU A 86 2.165 9.332 -5.451 1.00 0.00 C ATOM 0 H LEU A 86 -0.570 6.436 -4.789 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.422 9.398 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.402 7.494 -6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.056 9.211 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 86 1.542 7.288 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.249 7.358 -6.974 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.727 6.645 -7.560 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.142 8.325 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.210 9.126 -5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.110 10.094 -6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.658 9.691 -4.555 1.00 0.00 H new ATOM 138 N TYR A 87 -3.170 8.029 -4.876 1.00 0.00 N ATOM 139 CA TYR A 87 -4.616 8.280 -5.190 1.00 0.00 C ATOM 140 C TYR A 87 -5.480 7.697 -4.071 1.00 0.00 C ATOM 141 O TYR A 87 -5.102 6.735 -3.425 1.00 0.00 O ATOM 142 CB TYR A 87 -4.912 7.553 -6.512 1.00 0.00 C ATOM 143 CG TYR A 87 -3.921 7.954 -7.580 1.00 0.00 C ATOM 144 CD1 TYR A 87 -4.105 9.139 -8.303 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.809 7.141 -7.837 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.179 9.508 -9.285 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.884 7.511 -8.818 1.00 0.00 C ATOM 148 CZ TYR A 87 -2.067 8.695 -9.543 1.00 0.00 C ATOM 149 OH TYR A 87 -1.154 9.059 -10.511 1.00 0.00 O ATOM 0 H TYR A 87 -2.990 7.208 -4.298 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.831 9.345 -5.275 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.869 6.475 -6.357 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.924 7.788 -6.842 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.960 9.767 -8.103 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.666 6.228 -7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.321 10.421 -9.845 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.028 6.883 -9.017 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.444 8.385 -10.561 1.00 0.00 H new ATOM 159 N ASP A 88 -6.636 8.262 -3.841 1.00 0.00 N ATOM 160 CA ASP A 88 -7.526 7.734 -2.764 1.00 0.00 C ATOM 161 C ASP A 88 -8.064 6.359 -3.178 1.00 0.00 C ATOM 162 O ASP A 88 -8.344 6.128 -4.340 1.00 0.00 O ATOM 163 CB ASP A 88 -8.668 8.744 -2.642 1.00 0.00 C ATOM 164 CG ASP A 88 -8.115 10.088 -2.162 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.267 10.077 -1.283 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.544 11.103 -2.683 1.00 0.00 O ATOM 0 H ASP A 88 -7.003 9.065 -4.351 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.004 7.612 -1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.163 8.866 -3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.418 8.377 -1.942 1.00 0.00 H new ATOM 171 N TYR A 89 -8.207 5.441 -2.248 1.00 0.00 N ATOM 172 CA TYR A 89 -8.727 4.082 -2.615 1.00 0.00 C ATOM 173 C TYR A 89 -9.386 3.401 -1.409 1.00 0.00 C ATOM 174 O TYR A 89 -8.826 3.345 -0.332 1.00 0.00 O ATOM 175 CB TYR A 89 -7.494 3.294 -3.058 1.00 0.00 C ATOM 176 CG TYR A 89 -7.936 1.983 -3.662 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.388 1.935 -4.987 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.908 0.816 -2.889 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.815 0.720 -5.538 1.00 0.00 C ATOM 180 CE2 TYR A 89 -8.332 -0.400 -3.440 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.787 -0.448 -4.764 1.00 0.00 C ATOM 182 OH TYR A 89 -9.209 -1.645 -5.305 1.00 0.00 O ATOM 0 H TYR A 89 -7.989 5.572 -1.260 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.487 4.139 -3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.922 3.869 -3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.837 3.113 -2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.407 2.835 -5.584 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.559 0.853 -1.868 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.166 0.683 -6.559 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.308 -1.300 -2.844 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.040 -1.645 -6.270 1.00 0.00 H new ATOM 192 N GLU A 90 -10.573 2.878 -1.596 1.00 0.00 N ATOM 193 CA GLU A 90 -11.290 2.193 -0.476 1.00 0.00 C ATOM 194 C GLU A 90 -11.090 0.674 -0.552 1.00 0.00 C ATOM 195 O GLU A 90 -11.076 0.097 -1.622 1.00 0.00 O ATOM 196 CB GLU A 90 -12.763 2.543 -0.689 1.00 0.00 C ATOM 197 CG GLU A 90 -13.555 2.225 0.579 1.00 0.00 C ATOM 198 CD GLU A 90 -14.945 2.858 0.488 1.00 0.00 C ATOM 199 OE1 GLU A 90 -15.475 2.922 -0.609 1.00 0.00 O ATOM 200 OE2 GLU A 90 -15.456 3.265 1.518 1.00 0.00 O ATOM 0 H GLU A 90 -11.079 2.896 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.922 2.509 0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.864 3.600 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.163 1.978 -1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.643 1.146 0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.028 2.605 1.454 1.00 0.00 H new ATOM 207 N ALA A 91 -10.944 0.021 0.581 1.00 0.00 N ATOM 208 CA ALA A 91 -10.751 -1.468 0.580 1.00 0.00 C ATOM 209 C ALA A 91 -11.905 -2.156 -0.161 1.00 0.00 C ATOM 210 O ALA A 91 -12.851 -1.515 -0.582 1.00 0.00 O ATOM 211 CB ALA A 91 -10.743 -1.885 2.056 1.00 0.00 C ATOM 0 H ALA A 91 -10.950 0.454 1.504 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.829 -1.754 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.605 -2.964 2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.927 -1.380 2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.691 -1.608 2.517 1.00 0.00 H new ATOM 217 N ILE A 92 -11.827 -3.454 -0.329 1.00 0.00 N ATOM 218 CA ILE A 92 -12.916 -4.195 -1.042 1.00 0.00 C ATOM 219 C ILE A 92 -12.685 -5.712 -0.938 1.00 0.00 C ATOM 220 O ILE A 92 -12.904 -6.445 -1.883 1.00 0.00 O ATOM 221 CB ILE A 92 -12.836 -3.718 -2.503 1.00 0.00 C ATOM 222 CG1 ILE A 92 -14.001 -4.313 -3.299 1.00 0.00 C ATOM 223 CG2 ILE A 92 -11.505 -4.150 -3.133 1.00 0.00 C ATOM 224 CD1 ILE A 92 -14.374 -3.365 -4.441 1.00 0.00 C ATOM 0 H ILE A 92 -11.054 -4.034 -0.002 1.00 0.00 H new ATOM 0 HA ILE A 92 -13.899 -4.003 -0.613 1.00 0.00 H new ATOM 0 HB ILE A 92 -12.897 -2.630 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -13.723 -5.288 -3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -14.860 -4.469 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.463 -3.806 -4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -10.678 -3.715 -2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -11.427 -5.237 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -15.203 -3.787 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -14.670 -2.400 -4.031 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -13.515 -3.232 -5.099 1.00 0.00 H new ATOM 236 N HIS A 93 -12.239 -6.185 0.203 1.00 0.00 N ATOM 237 CA HIS A 93 -11.991 -7.656 0.376 1.00 0.00 C ATOM 238 C HIS A 93 -11.637 -7.966 1.837 1.00 0.00 C ATOM 239 O HIS A 93 -11.792 -7.133 2.709 1.00 0.00 O ATOM 240 CB HIS A 93 -10.803 -7.973 -0.542 1.00 0.00 C ATOM 241 CG HIS A 93 -11.074 -9.241 -1.304 1.00 0.00 C ATOM 242 ND1 HIS A 93 -10.478 -10.446 -0.966 1.00 0.00 N ATOM 243 CD2 HIS A 93 -11.881 -9.510 -2.380 1.00 0.00 C ATOM 244 CE1 HIS A 93 -10.934 -11.377 -1.826 1.00 0.00 C ATOM 245 NE2 HIS A 93 -11.793 -10.859 -2.708 1.00 0.00 N ATOM 0 H HIS A 93 -12.035 -5.615 1.024 1.00 0.00 H new ATOM 0 HA HIS A 93 -12.869 -8.253 0.127 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -10.637 -7.149 -1.236 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -9.893 -8.080 0.049 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -12.493 -8.784 -2.895 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -10.641 -12.416 -1.805 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -12.280 -11.347 -3.460 1.00 0.00 H new ATOM 253 N HIS A 94 -11.165 -9.159 2.108 1.00 0.00 N ATOM 254 CA HIS A 94 -10.802 -9.524 3.516 1.00 0.00 C ATOM 255 C HIS A 94 -9.520 -8.798 3.926 1.00 0.00 C ATOM 256 O HIS A 94 -9.559 -7.837 4.671 1.00 0.00 O ATOM 257 CB HIS A 94 -10.586 -11.038 3.502 1.00 0.00 C ATOM 258 CG HIS A 94 -11.911 -11.726 3.333 1.00 0.00 C ATOM 259 ND1 HIS A 94 -12.938 -11.584 4.254 1.00 0.00 N ATOM 260 CD2 HIS A 94 -12.399 -12.554 2.353 1.00 0.00 C ATOM 261 CE1 HIS A 94 -13.982 -12.308 3.812 1.00 0.00 C ATOM 262 NE2 HIS A 94 -13.707 -12.920 2.657 1.00 0.00 N ATOM 0 H HIS A 94 -11.015 -9.895 1.418 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.575 -9.239 4.229 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.914 -11.314 2.690 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.113 -11.358 4.430 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -11.851 -12.873 1.479 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -14.928 -12.385 4.328 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -14.323 -13.525 2.114 1.00 0.00 H new ATOM 270 N GLU A 95 -8.385 -9.230 3.427 1.00 0.00 N ATOM 271 CA GLU A 95 -7.103 -8.541 3.772 1.00 0.00 C ATOM 272 C GLU A 95 -6.921 -7.328 2.853 1.00 0.00 C ATOM 273 O GLU A 95 -5.926 -7.199 2.172 1.00 0.00 O ATOM 274 CB GLU A 95 -5.999 -9.579 3.528 1.00 0.00 C ATOM 275 CG GLU A 95 -4.795 -9.306 4.445 1.00 0.00 C ATOM 276 CD GLU A 95 -5.221 -9.422 5.912 1.00 0.00 C ATOM 277 OE1 GLU A 95 -5.863 -10.404 6.246 1.00 0.00 O ATOM 278 OE2 GLU A 95 -4.896 -8.527 6.675 1.00 0.00 O ATOM 0 H GLU A 95 -8.293 -10.028 2.798 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.083 -8.182 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.386 -10.581 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.685 -9.547 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.996 -10.016 4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.397 -8.310 4.250 1.00 0.00 H new ATOM 285 N ASP A 96 -7.888 -6.446 2.833 1.00 0.00 N ATOM 286 CA ASP A 96 -7.801 -5.235 1.963 1.00 0.00 C ATOM 287 C ASP A 96 -7.399 -4.018 2.805 1.00 0.00 C ATOM 288 O ASP A 96 -7.357 -4.092 4.021 1.00 0.00 O ATOM 289 CB ASP A 96 -9.211 -5.062 1.386 1.00 0.00 C ATOM 290 CG ASP A 96 -10.244 -4.890 2.510 1.00 0.00 C ATOM 291 OD1 ASP A 96 -9.859 -4.932 3.670 1.00 0.00 O ATOM 292 OD2 ASP A 96 -11.409 -4.727 2.189 1.00 0.00 O ATOM 0 H ASP A 96 -8.741 -6.514 3.387 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.054 -5.335 1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.235 -4.193 0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.469 -5.930 0.779 1.00 0.00 H new ATOM 297 N LEU A 97 -7.099 -2.905 2.179 1.00 0.00 N ATOM 298 CA LEU A 97 -6.696 -1.692 2.962 1.00 0.00 C ATOM 299 C LEU A 97 -7.055 -0.402 2.209 1.00 0.00 C ATOM 300 O LEU A 97 -6.718 -0.233 1.054 1.00 0.00 O ATOM 301 CB LEU A 97 -5.178 -1.811 3.123 1.00 0.00 C ATOM 302 CG LEU A 97 -4.653 -0.634 3.952 1.00 0.00 C ATOM 303 CD1 LEU A 97 -5.217 -0.715 5.373 1.00 0.00 C ATOM 304 CD2 LEU A 97 -3.121 -0.685 4.002 1.00 0.00 C ATOM 0 H LEU A 97 -7.115 -2.783 1.166 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.212 -1.642 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.927 -2.753 3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.698 -1.822 2.144 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.969 0.302 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.843 0.123 5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.306 -0.674 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.905 -1.651 5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.748 0.152 4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.803 -1.622 4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.722 -0.622 2.990 1.00 0.00 H new ATOM 316 N SER A 98 -7.724 0.512 2.873 1.00 0.00 N ATOM 317 CA SER A 98 -8.098 1.804 2.219 1.00 0.00 C ATOM 318 C SER A 98 -7.054 2.877 2.529 1.00 0.00 C ATOM 319 O SER A 98 -6.879 3.270 3.667 1.00 0.00 O ATOM 320 CB SER A 98 -9.432 2.217 2.841 1.00 0.00 C ATOM 321 OG SER A 98 -10.202 1.065 3.157 1.00 0.00 O ATOM 0 H SER A 98 -8.027 0.417 3.842 1.00 0.00 H new ATOM 0 HA SER A 98 -8.160 1.692 1.137 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.255 2.804 3.742 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.983 2.854 2.149 1.00 0.00 H new ATOM 0 HG SER A 98 -11.054 1.340 3.556 1.00 0.00 H new ATOM 327 N PHE A 99 -6.381 3.369 1.525 1.00 0.00 N ATOM 328 CA PHE A 99 -5.359 4.444 1.752 1.00 0.00 C ATOM 329 C PHE A 99 -5.818 5.750 1.093 1.00 0.00 C ATOM 330 O PHE A 99 -6.951 5.866 0.662 1.00 0.00 O ATOM 331 CB PHE A 99 -4.042 3.935 1.141 1.00 0.00 C ATOM 332 CG PHE A 99 -4.248 3.398 -0.260 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.355 4.278 -1.339 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.307 2.015 -0.476 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.522 3.781 -2.637 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.471 1.517 -1.774 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.578 2.401 -2.855 1.00 0.00 C ATOM 0 H PHE A 99 -6.491 3.076 0.554 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.224 4.656 2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.314 4.746 1.117 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.626 3.151 1.774 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.309 5.344 -1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.226 1.334 0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.608 4.463 -3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.515 0.451 -1.942 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.704 2.017 -3.857 1.00 0.00 H new ATOM 347 N GLN A 100 -4.961 6.746 1.037 1.00 0.00 N ATOM 348 CA GLN A 100 -5.376 8.050 0.431 1.00 0.00 C ATOM 349 C GLN A 100 -4.417 8.492 -0.687 1.00 0.00 C ATOM 350 O GLN A 100 -3.485 7.801 -1.047 1.00 0.00 O ATOM 351 CB GLN A 100 -5.372 9.055 1.591 1.00 0.00 C ATOM 352 CG GLN A 100 -6.790 9.599 1.812 1.00 0.00 C ATOM 353 CD GLN A 100 -6.733 11.083 2.192 1.00 0.00 C ATOM 354 OE1 GLN A 100 -5.667 11.649 2.343 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.848 11.741 2.355 1.00 0.00 N ATOM 0 H GLN A 100 -4.002 6.711 1.382 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.356 7.973 -0.040 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.011 8.574 2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.688 9.875 1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.382 9.470 0.906 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.286 9.033 2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.743 11.268 2.229 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.825 12.729 2.609 1.00 0.00 H new ATOM 364 N LYS A 101 -4.706 9.625 -1.266 1.00 0.00 N ATOM 365 CA LYS A 101 -3.900 10.161 -2.416 1.00 0.00 C ATOM 366 C LYS A 101 -2.430 10.441 -2.109 1.00 0.00 C ATOM 367 O LYS A 101 -1.611 10.499 -3.005 1.00 0.00 O ATOM 368 CB LYS A 101 -4.597 11.450 -2.800 1.00 0.00 C ATOM 369 CG LYS A 101 -4.071 11.918 -4.148 1.00 0.00 C ATOM 370 CD LYS A 101 -5.190 12.628 -4.904 1.00 0.00 C ATOM 371 CE LYS A 101 -6.219 11.597 -5.382 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.416 12.397 -5.764 1.00 0.00 N ATOM 0 H LYS A 101 -5.485 10.221 -0.987 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.862 9.410 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.675 11.294 -2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.420 12.213 -2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.226 12.592 -4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.708 11.068 -4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.670 13.364 -4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.780 13.171 -5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.840 11.024 -6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.457 10.882 -4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.166 11.760 -6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.758 12.926 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.161 13.064 -6.520 1.00 0.00 H new ATOM 386 N GLY A 102 -2.099 10.651 -0.885 1.00 0.00 N ATOM 387 CA GLY A 102 -0.679 10.960 -0.527 1.00 0.00 C ATOM 388 C GLY A 102 -0.323 10.230 0.757 1.00 0.00 C ATOM 389 O GLY A 102 0.335 10.763 1.630 1.00 0.00 O ATOM 0 H GLY A 102 -2.746 10.625 -0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.012 10.652 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.548 12.034 -0.398 1.00 0.00 H new ATOM 393 N ASP A 103 -0.767 9.011 0.873 1.00 0.00 N ATOM 394 CA ASP A 103 -0.474 8.219 2.115 1.00 0.00 C ATOM 395 C ASP A 103 0.819 7.412 1.975 1.00 0.00 C ATOM 396 O ASP A 103 1.386 7.307 0.909 1.00 0.00 O ATOM 397 CB ASP A 103 -1.677 7.295 2.303 1.00 0.00 C ATOM 398 CG ASP A 103 -2.722 7.997 3.175 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.840 9.209 3.067 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.387 7.313 3.934 1.00 0.00 O ATOM 0 H ASP A 103 -1.319 8.523 0.168 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.326 8.872 2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.107 7.038 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.364 6.362 2.771 1.00 0.00 H new ATOM 405 N GLN A 104 1.274 6.824 3.052 1.00 0.00 N ATOM 406 CA GLN A 104 2.512 6.003 3.002 1.00 0.00 C ATOM 407 C GLN A 104 2.225 4.603 3.536 1.00 0.00 C ATOM 408 O GLN A 104 1.512 4.435 4.508 1.00 0.00 O ATOM 409 CB GLN A 104 3.514 6.726 3.902 1.00 0.00 C ATOM 410 CG GLN A 104 4.327 7.728 3.073 1.00 0.00 C ATOM 411 CD GLN A 104 5.805 7.612 3.447 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.451 8.598 3.743 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.370 6.435 3.447 1.00 0.00 N ATOM 0 H GLN A 104 0.834 6.881 3.970 1.00 0.00 H new ATOM 0 HA GLN A 104 2.894 5.891 1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.988 7.245 4.704 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.181 6.004 4.373 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.193 7.531 2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.972 8.742 3.257 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.827 5.608 3.198 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.355 6.342 3.696 1.00 0.00 H new ATOM 422 N MET A 105 2.775 3.603 2.907 1.00 0.00 N ATOM 423 CA MET A 105 2.543 2.205 3.364 1.00 0.00 C ATOM 424 C MET A 105 3.812 1.380 3.196 1.00 0.00 C ATOM 425 O MET A 105 4.638 1.659 2.351 1.00 0.00 O ATOM 426 CB MET A 105 1.438 1.668 2.450 1.00 0.00 C ATOM 427 CG MET A 105 0.148 2.458 2.680 1.00 0.00 C ATOM 428 SD MET A 105 -1.219 1.659 1.801 1.00 0.00 S ATOM 429 CE MET A 105 -0.912 2.378 0.169 1.00 0.00 C ATOM 0 H MET A 105 3.379 3.695 2.090 1.00 0.00 H new ATOM 0 HA MET A 105 2.265 2.157 4.417 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.744 1.749 1.407 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.269 0.610 2.651 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.073 2.510 3.746 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.270 3.483 2.329 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.770 2.981 -0.130 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.023 3.007 0.210 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.758 1.580 -0.557 1.00 0.00 H new ATOM 439 N VAL A 106 3.960 0.354 3.982 1.00 0.00 N ATOM 440 CA VAL A 106 5.156 -0.524 3.857 1.00 0.00 C ATOM 441 C VAL A 106 4.712 -1.756 3.085 1.00 0.00 C ATOM 442 O VAL A 106 3.585 -2.174 3.205 1.00 0.00 O ATOM 443 CB VAL A 106 5.552 -0.921 5.286 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.886 -1.678 5.277 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.671 0.326 6.175 1.00 0.00 C ATOM 0 H VAL A 106 3.300 0.083 4.711 1.00 0.00 H new ATOM 0 HA VAL A 106 5.993 -0.045 3.350 1.00 0.00 H new ATOM 0 HB VAL A 106 4.776 -1.571 5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.155 -1.953 6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.789 -2.579 4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.663 -1.040 4.857 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.952 0.027 7.185 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.432 0.992 5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.713 0.845 6.204 1.00 0.00 H new ATOM 455 N VAL A 107 5.562 -2.348 2.313 1.00 0.00 N ATOM 456 CA VAL A 107 5.127 -3.561 1.554 1.00 0.00 C ATOM 457 C VAL A 107 5.501 -4.823 2.332 1.00 0.00 C ATOM 458 O VAL A 107 6.569 -4.934 2.901 1.00 0.00 O ATOM 459 CB VAL A 107 5.817 -3.506 0.183 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.435 -4.746 -0.632 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.346 -2.258 -0.568 1.00 0.00 C ATOM 0 H VAL A 107 6.529 -2.058 2.168 1.00 0.00 H new ATOM 0 HA VAL A 107 4.046 -3.585 1.418 1.00 0.00 H new ATOM 0 HB VAL A 107 6.898 -3.474 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 107 5.925 -4.707 -1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.754 -5.643 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.354 -4.772 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.833 -2.214 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.265 -2.301 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.604 -1.369 0.007 1.00 0.00 H new ATOM 471 N LEU A 108 4.615 -5.770 2.344 1.00 0.00 N ATOM 472 CA LEU A 108 4.863 -7.050 3.058 1.00 0.00 C ATOM 473 C LEU A 108 5.337 -8.106 2.055 1.00 0.00 C ATOM 474 O LEU A 108 6.023 -9.046 2.404 1.00 0.00 O ATOM 475 CB LEU A 108 3.491 -7.451 3.618 1.00 0.00 C ATOM 476 CG LEU A 108 3.129 -6.590 4.832 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.290 -5.394 4.381 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.314 -7.431 5.825 1.00 0.00 C ATOM 0 H LEU A 108 3.709 -5.712 1.880 1.00 0.00 H new ATOM 0 HA LEU A 108 5.621 -6.960 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.730 -7.338 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.502 -8.503 3.902 1.00 0.00 H new ATOM 0 HG LEU A 108 4.042 -6.235 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.033 -4.783 5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.861 -4.796 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.377 -5.749 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.054 -6.822 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.402 -7.782 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.906 -8.287 6.148 1.00 0.00 H new ATOM 490 N GLU A 109 4.968 -7.947 0.807 1.00 0.00 N ATOM 491 CA GLU A 109 5.378 -8.927 -0.240 1.00 0.00 C ATOM 492 C GLU A 109 5.360 -8.260 -1.620 1.00 0.00 C ATOM 493 O GLU A 109 4.645 -7.300 -1.842 1.00 0.00 O ATOM 494 CB GLU A 109 4.331 -10.038 -0.169 1.00 0.00 C ATOM 495 CG GLU A 109 4.733 -11.057 0.899 1.00 0.00 C ATOM 496 CD GLU A 109 3.896 -12.327 0.733 1.00 0.00 C ATOM 497 OE1 GLU A 109 3.769 -12.786 -0.390 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.397 -12.819 1.732 1.00 0.00 O ATOM 0 H GLU A 109 4.396 -7.173 0.469 1.00 0.00 H new ATOM 0 HA GLU A 109 6.388 -9.306 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.354 -9.616 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.241 -10.529 -1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.793 -11.293 0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.582 -10.637 1.893 1.00 0.00 H new ATOM 505 N GLU A 110 6.128 -8.770 -2.547 1.00 0.00 N ATOM 506 CA GLU A 110 6.154 -8.181 -3.925 1.00 0.00 C ATOM 507 C GLU A 110 5.462 -9.131 -4.913 1.00 0.00 C ATOM 508 O GLU A 110 5.713 -10.322 -4.909 1.00 0.00 O ATOM 509 CB GLU A 110 7.640 -8.048 -4.262 1.00 0.00 C ATOM 510 CG GLU A 110 8.137 -6.665 -3.838 1.00 0.00 C ATOM 511 CD GLU A 110 9.659 -6.602 -3.982 1.00 0.00 C ATOM 512 OE1 GLU A 110 10.299 -7.612 -3.743 1.00 0.00 O ATOM 513 OE2 GLU A 110 10.158 -5.544 -4.330 1.00 0.00 O ATOM 0 H GLU A 110 6.742 -9.573 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 110 5.633 -7.225 -3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.211 -8.824 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.795 -8.190 -5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.671 -5.895 -4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.850 -6.465 -2.806 1.00 0.00 H new ATOM 520 N SER A 111 4.589 -8.621 -5.751 1.00 0.00 N ATOM 521 CA SER A 111 3.885 -9.506 -6.731 1.00 0.00 C ATOM 522 C SER A 111 3.920 -8.890 -8.142 1.00 0.00 C ATOM 523 O SER A 111 4.790 -9.203 -8.932 1.00 0.00 O ATOM 524 CB SER A 111 2.450 -9.622 -6.205 1.00 0.00 C ATOM 525 OG SER A 111 1.658 -10.319 -7.158 1.00 0.00 O ATOM 0 H SER A 111 4.335 -7.634 -5.798 1.00 0.00 H new ATOM 0 HA SER A 111 4.358 -10.484 -6.818 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.441 -10.150 -5.251 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.035 -8.630 -6.025 1.00 0.00 H new ATOM 0 HG SER A 111 0.740 -10.397 -6.825 1.00 0.00 H new ATOM 531 N GLY A 112 2.990 -8.017 -8.465 1.00 0.00 N ATOM 532 CA GLY A 112 2.981 -7.393 -9.822 1.00 0.00 C ATOM 533 C GLY A 112 2.022 -6.200 -9.835 1.00 0.00 C ATOM 534 O GLY A 112 2.401 -5.088 -9.521 1.00 0.00 O ATOM 0 H GLY A 112 2.239 -7.713 -7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.986 -7.067 -10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.675 -8.126 -10.568 1.00 0.00 H new ATOM 538 N GLU A 113 0.782 -6.427 -10.192 1.00 0.00 N ATOM 539 CA GLU A 113 -0.214 -5.310 -10.222 1.00 0.00 C ATOM 540 C GLU A 113 -0.902 -5.155 -8.856 1.00 0.00 C ATOM 541 O GLU A 113 -1.520 -4.143 -8.578 1.00 0.00 O ATOM 542 CB GLU A 113 -1.233 -5.708 -11.298 1.00 0.00 C ATOM 543 CG GLU A 113 -1.899 -7.046 -10.932 1.00 0.00 C ATOM 544 CD GLU A 113 -1.660 -8.070 -12.047 1.00 0.00 C ATOM 545 OE1 GLU A 113 -0.509 -8.393 -12.290 1.00 0.00 O ATOM 546 OE2 GLU A 113 -2.632 -8.515 -12.634 1.00 0.00 O ATOM 0 H GLU A 113 0.415 -7.339 -10.464 1.00 0.00 H new ATOM 0 HA GLU A 113 0.258 -4.352 -10.441 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.991 -4.931 -11.396 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -0.737 -5.793 -12.265 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.494 -7.419 -9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.969 -6.901 -10.783 1.00 0.00 H new ATOM 553 N TRP A 114 -0.812 -6.155 -8.010 1.00 0.00 N ATOM 554 CA TRP A 114 -1.463 -6.082 -6.665 1.00 0.00 C ATOM 555 C TRP A 114 -0.450 -6.405 -5.561 1.00 0.00 C ATOM 556 O TRP A 114 -0.098 -7.552 -5.358 1.00 0.00 O ATOM 557 CB TRP A 114 -2.558 -7.153 -6.692 1.00 0.00 C ATOM 558 CG TRP A 114 -3.844 -6.564 -7.178 1.00 0.00 C ATOM 559 CD1 TRP A 114 -4.440 -6.855 -8.358 1.00 0.00 C ATOM 560 CD2 TRP A 114 -4.708 -5.601 -6.508 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.614 -6.128 -8.455 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.823 -5.340 -7.338 1.00 0.00 C ATOM 563 CE3 TRP A 114 -4.630 -4.934 -5.274 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.828 -4.450 -6.955 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -5.639 -4.036 -4.884 1.00 0.00 C ATOM 566 CH2 TRP A 114 -6.736 -3.795 -5.723 1.00 0.00 C ATOM 0 H TRP A 114 -0.312 -7.024 -8.197 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.859 -5.087 -6.461 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.257 -7.975 -7.342 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -2.694 -7.569 -5.694 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.062 -7.541 -9.101 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -6.248 -6.169 -9.253 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -3.789 -5.112 -4.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.671 -4.269 -7.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -5.569 -3.529 -3.933 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.509 -3.105 -5.418 1.00 0.00 H new ATOM 577 N TRP A 115 0.015 -5.412 -4.839 1.00 0.00 N ATOM 578 CA TRP A 115 0.997 -5.683 -3.740 1.00 0.00 C ATOM 579 C TRP A 115 0.287 -5.650 -2.384 1.00 0.00 C ATOM 580 O TRP A 115 -0.715 -4.976 -2.211 1.00 0.00 O ATOM 581 CB TRP A 115 2.036 -4.552 -3.799 1.00 0.00 C ATOM 582 CG TRP A 115 2.712 -4.484 -5.138 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.820 -5.497 -6.038 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.390 -3.340 -5.735 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.518 -5.039 -7.145 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.890 -3.717 -7.005 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.616 -2.021 -5.299 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.588 -2.818 -7.813 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.318 -1.114 -6.110 1.00 0.00 C ATOM 590 CH2 TRP A 115 4.803 -1.511 -7.363 1.00 0.00 C ATOM 0 H TRP A 115 -0.241 -4.432 -4.962 1.00 0.00 H new ATOM 0 HA TRP A 115 1.460 -6.663 -3.859 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.549 -3.600 -3.589 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.784 -4.705 -3.022 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.427 -6.495 -5.912 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.731 -5.610 -7.963 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.247 -1.704 -4.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.959 -3.129 -8.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.485 -0.104 -5.765 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.342 -0.809 -7.981 1.00 0.00 H new ATOM 601 N LYS A 116 0.819 -6.355 -1.419 1.00 0.00 N ATOM 602 CA LYS A 116 0.207 -6.370 -0.052 1.00 0.00 C ATOM 603 C LYS A 116 1.030 -5.468 0.872 1.00 0.00 C ATOM 604 O LYS A 116 2.172 -5.766 1.151 1.00 0.00 O ATOM 605 CB LYS A 116 0.309 -7.829 0.401 1.00 0.00 C ATOM 606 CG LYS A 116 -0.993 -8.252 1.081 1.00 0.00 C ATOM 607 CD LYS A 116 -0.896 -9.727 1.475 1.00 0.00 C ATOM 608 CE LYS A 116 -2.000 -10.071 2.483 1.00 0.00 C ATOM 609 NZ LYS A 116 -1.303 -10.758 3.609 1.00 0.00 N ATOM 0 H LYS A 116 1.658 -6.926 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.822 -6.011 -0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.508 -8.472 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.145 -7.948 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.173 -7.638 1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.836 -8.097 0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.991 -10.356 0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.082 -9.933 1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.513 -9.173 2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.755 -10.717 2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.997 -11.023 4.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.830 -11.614 3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.595 -10.117 4.022 1.00 0.00 H new ATOM 623 N ALA A 117 0.483 -4.367 1.335 1.00 0.00 N ATOM 624 CA ALA A 117 1.285 -3.456 2.214 1.00 0.00 C ATOM 625 C ALA A 117 0.562 -3.111 3.527 1.00 0.00 C ATOM 626 O ALA A 117 -0.618 -3.355 3.699 1.00 0.00 O ATOM 627 CB ALA A 117 1.479 -2.195 1.375 1.00 0.00 C ATOM 0 H ALA A 117 -0.472 -4.063 1.145 1.00 0.00 H new ATOM 0 HA ALA A 117 2.221 -3.927 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.059 -1.467 1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.010 -2.447 0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.506 -1.770 1.127 1.00 0.00 H new ATOM 633 N ARG A 118 1.287 -2.525 4.453 1.00 0.00 N ATOM 634 CA ARG A 118 0.704 -2.137 5.756 1.00 0.00 C ATOM 635 C ARG A 118 0.740 -0.609 5.904 1.00 0.00 C ATOM 636 O ARG A 118 1.784 0.010 5.819 1.00 0.00 O ATOM 637 CB ARG A 118 1.608 -2.821 6.793 1.00 0.00 C ATOM 638 CG ARG A 118 1.250 -2.362 8.216 1.00 0.00 C ATOM 639 CD ARG A 118 2.500 -1.820 8.921 1.00 0.00 C ATOM 640 NE ARG A 118 2.096 -1.611 10.346 1.00 0.00 N ATOM 641 CZ ARG A 118 2.989 -1.305 11.270 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.256 -1.128 10.971 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.604 -1.169 12.509 1.00 0.00 N ATOM 0 H ARG A 118 2.276 -2.300 4.347 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.338 -2.435 5.869 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.502 -3.903 6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.652 -2.588 6.583 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.481 -1.590 8.176 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.835 -3.196 8.783 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.329 -2.524 8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 118 2.833 -0.887 8.467 1.00 0.00 H new ATOM 0 HE ARG A 118 1.115 -1.706 10.608 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.571 -1.226 10.006 1.00 0.00 H new ATOM 0 HH12 ARG A 118 4.925 -0.892 11.704 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.623 -1.299 12.755 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.284 -0.933 13.231 1.00 0.00 H new ATOM 657 N SER A 119 -0.397 -0.007 6.140 1.00 0.00 N ATOM 658 CA SER A 119 -0.449 1.472 6.310 1.00 0.00 C ATOM 659 C SER A 119 0.012 1.846 7.717 1.00 0.00 C ATOM 660 O SER A 119 -0.566 1.417 8.705 1.00 0.00 O ATOM 661 CB SER A 119 -1.914 1.854 6.104 1.00 0.00 C ATOM 662 OG SER A 119 -2.034 3.270 6.108 1.00 0.00 O ATOM 0 H SER A 119 -1.296 -0.481 6.222 1.00 0.00 H new ATOM 0 HA SER A 119 0.201 1.993 5.607 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.278 1.449 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.529 1.423 6.894 1.00 0.00 H new ATOM 0 HG SER A 119 -2.972 3.519 5.974 1.00 0.00 H new ATOM 668 N LEU A 120 1.048 2.640 7.804 1.00 0.00 N ATOM 669 CA LEU A 120 1.575 3.059 9.140 1.00 0.00 C ATOM 670 C LEU A 120 0.615 4.049 9.808 1.00 0.00 C ATOM 671 O LEU A 120 0.626 4.212 11.014 1.00 0.00 O ATOM 672 CB LEU A 120 2.922 3.732 8.854 1.00 0.00 C ATOM 673 CG LEU A 120 3.864 2.741 8.160 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.704 3.477 7.114 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.793 2.104 9.197 1.00 0.00 C ATOM 0 H LEU A 120 1.555 3.019 7.004 1.00 0.00 H new ATOM 0 HA LEU A 120 1.680 2.212 9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.774 4.609 8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.369 4.081 9.785 1.00 0.00 H new ATOM 0 HG LEU A 120 3.273 1.965 7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.373 2.771 6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.046 3.931 6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.292 4.255 7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.462 1.400 8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.381 2.881 9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.198 1.577 9.943 1.00 0.00 H new ATOM 687 N ALA A 121 -0.216 4.710 9.036 1.00 0.00 N ATOM 688 CA ALA A 121 -1.179 5.687 9.632 1.00 0.00 C ATOM 689 C ALA A 121 -2.124 4.959 10.590 1.00 0.00 C ATOM 690 O ALA A 121 -2.548 5.504 11.592 1.00 0.00 O ATOM 691 CB ALA A 121 -1.957 6.266 8.447 1.00 0.00 C ATOM 0 H ALA A 121 -0.268 4.614 8.022 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.677 6.469 10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.684 6.993 8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.265 6.756 7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.476 5.462 7.925 1.00 0.00 H new ATOM 697 N THR A 122 -2.446 3.726 10.288 1.00 0.00 N ATOM 698 CA THR A 122 -3.352 2.945 11.179 1.00 0.00 C ATOM 699 C THR A 122 -2.752 1.562 11.489 1.00 0.00 C ATOM 700 O THR A 122 -3.406 0.716 12.067 1.00 0.00 O ATOM 701 CB THR A 122 -4.659 2.805 10.397 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.371 2.451 9.053 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.419 4.132 10.428 1.00 0.00 C ATOM 0 H THR A 122 -2.119 3.227 9.461 1.00 0.00 H new ATOM 0 HA THR A 122 -3.503 3.439 12.139 1.00 0.00 H new ATOM 0 HB THR A 122 -5.273 2.028 10.852 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.208 2.360 8.552 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.350 4.031 9.870 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.642 4.400 11.461 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.807 4.912 9.975 1.00 0.00 H new ATOM 711 N ARG A 123 -1.506 1.327 11.124 1.00 0.00 N ATOM 712 CA ARG A 123 -0.856 -0.002 11.410 1.00 0.00 C ATOM 713 C ARG A 123 -1.704 -1.148 10.854 1.00 0.00 C ATOM 714 O ARG A 123 -1.705 -2.242 11.387 1.00 0.00 O ATOM 715 CB ARG A 123 -0.773 -0.096 12.941 1.00 0.00 C ATOM 716 CG ARG A 123 -0.044 1.134 13.503 1.00 0.00 C ATOM 717 CD ARG A 123 0.933 0.706 14.602 1.00 0.00 C ATOM 718 NE ARG A 123 0.803 1.745 15.688 1.00 0.00 N ATOM 719 CZ ARG A 123 1.015 3.029 15.474 1.00 0.00 C ATOM 720 NH1 ARG A 123 1.519 3.457 14.344 1.00 0.00 N ATOM 721 NH2 ARG A 123 0.764 3.886 16.426 1.00 0.00 N ATOM 0 H ARG A 123 -0.911 1.999 10.640 1.00 0.00 H new ATOM 0 HA ARG A 123 0.126 -0.078 10.943 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.775 -0.160 13.365 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.246 -1.005 13.230 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.495 1.644 12.704 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.767 1.844 13.904 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.689 -0.287 14.979 1.00 0.00 H new ATOM 0 HD3 ARG A 123 1.954 0.661 14.223 1.00 0.00 H new ATOM 0 HE ARG A 123 0.540 1.442 16.626 1.00 0.00 H new ATOM 0 HH11 ARG A 123 1.756 2.793 13.607 1.00 0.00 H new ATOM 0 HH12 ARG A 123 1.674 4.455 14.200 1.00 0.00 H new ATOM 0 HH21 ARG A 123 0.408 3.560 17.324 1.00 0.00 H new ATOM 0 HH22 ARG A 123 0.924 4.881 16.271 1.00 0.00 H new ATOM 735 N LYS A 124 -2.404 -0.911 9.775 1.00 0.00 N ATOM 736 CA LYS A 124 -3.236 -1.993 9.167 1.00 0.00 C ATOM 737 C LYS A 124 -2.532 -2.509 7.921 1.00 0.00 C ATOM 738 O LYS A 124 -1.549 -1.949 7.510 1.00 0.00 O ATOM 739 CB LYS A 124 -4.561 -1.335 8.793 1.00 0.00 C ATOM 740 CG LYS A 124 -5.217 -0.736 10.040 1.00 0.00 C ATOM 741 CD LYS A 124 -6.693 -0.456 9.752 1.00 0.00 C ATOM 742 CE LYS A 124 -7.536 -1.658 10.182 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.943 -1.259 9.907 1.00 0.00 N ATOM 0 H LYS A 124 -2.436 -0.015 9.288 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.392 -2.833 9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.393 -0.555 8.050 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.226 -2.070 8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -5.123 -1.424 10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.709 0.186 10.325 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -7.015 0.437 10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.836 -0.260 8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.263 -2.552 9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -7.389 -1.886 11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.583 -2.034 10.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.177 -0.409 10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -9.054 -1.055 8.893 1.00 0.00 H new ATOM 757 N GLU A 125 -3.026 -3.552 7.309 1.00 0.00 N ATOM 758 CA GLU A 125 -2.352 -4.069 6.077 1.00 0.00 C ATOM 759 C GLU A 125 -3.323 -4.821 5.180 1.00 0.00 C ATOM 760 O GLU A 125 -4.175 -5.561 5.634 1.00 0.00 O ATOM 761 CB GLU A 125 -1.225 -4.986 6.571 1.00 0.00 C ATOM 762 CG GLU A 125 -1.788 -6.101 7.458 1.00 0.00 C ATOM 763 CD GLU A 125 -1.674 -5.698 8.929 1.00 0.00 C ATOM 764 OE1 GLU A 125 -0.598 -5.283 9.328 1.00 0.00 O ATOM 765 OE2 GLU A 125 -2.663 -5.814 9.633 1.00 0.00 O ATOM 0 H GLU A 125 -3.857 -4.065 7.602 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.964 -3.252 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.702 -5.421 5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.493 -4.403 7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -2.831 -6.290 7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.243 -7.029 7.282 1.00 0.00 H new ATOM 772 N GLY A 126 -3.189 -4.628 3.895 1.00 0.00 N ATOM 773 CA GLY A 126 -4.088 -5.319 2.937 1.00 0.00 C ATOM 774 C GLY A 126 -3.539 -5.191 1.516 1.00 0.00 C ATOM 775 O GLY A 126 -2.344 -5.170 1.298 1.00 0.00 O ATOM 0 H GLY A 126 -2.491 -4.018 3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.180 -6.371 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -5.088 -4.888 2.989 1.00 0.00 H new ATOM 779 N TYR A 127 -4.419 -5.100 0.558 1.00 0.00 N ATOM 780 CA TYR A 127 -4.003 -4.988 -0.870 1.00 0.00 C ATOM 781 C TYR A 127 -3.933 -3.523 -1.296 1.00 0.00 C ATOM 782 O TYR A 127 -4.559 -2.665 -0.704 1.00 0.00 O ATOM 783 CB TYR A 127 -5.121 -5.690 -1.652 1.00 0.00 C ATOM 784 CG TYR A 127 -5.242 -7.129 -1.215 1.00 0.00 C ATOM 785 CD1 TYR A 127 -4.238 -8.050 -1.533 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.364 -7.539 -0.490 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.357 -9.383 -1.123 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.486 -8.869 -0.079 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.482 -9.793 -0.395 1.00 0.00 C ATOM 790 OH TYR A 127 -5.600 -11.107 0.009 1.00 0.00 O ATOM 0 H TYR A 127 -5.428 -5.098 0.707 1.00 0.00 H new ATOM 0 HA TYR A 127 -3.019 -5.424 -1.043 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -6.067 -5.173 -1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.911 -5.644 -2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.372 -7.733 -2.094 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -7.138 -6.827 -0.247 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.583 -10.095 -1.367 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.354 -9.184 0.482 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.438 -11.223 0.504 1.00 0.00 H new ATOM 800 N ILE A 128 -3.181 -3.239 -2.328 1.00 0.00 N ATOM 801 CA ILE A 128 -3.069 -1.831 -2.817 1.00 0.00 C ATOM 802 C ILE A 128 -2.714 -1.826 -4.316 1.00 0.00 C ATOM 803 O ILE A 128 -1.642 -2.260 -4.686 1.00 0.00 O ATOM 804 CB ILE A 128 -1.955 -1.159 -1.992 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.716 -2.065 -1.900 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.475 -0.863 -0.583 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.550 -1.206 -1.964 1.00 0.00 C ATOM 0 H ILE A 128 -2.638 -3.923 -2.855 1.00 0.00 H new ATOM 0 HA ILE A 128 -4.010 -1.293 -2.699 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.668 -0.232 -2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.736 -2.633 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.719 -2.788 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.688 -0.387 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.335 -0.196 -0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.773 -1.795 -0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.429 -1.848 -1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.570 -0.657 -2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.553 -0.501 -1.133 1.00 0.00 H new ATOM 819 N PRO A 129 -3.634 -1.353 -5.147 1.00 0.00 N ATOM 820 CA PRO A 129 -3.393 -1.316 -6.622 1.00 0.00 C ATOM 821 C PRO A 129 -1.992 -0.793 -6.964 1.00 0.00 C ATOM 822 O PRO A 129 -1.748 0.395 -7.011 1.00 0.00 O ATOM 823 CB PRO A 129 -4.477 -0.376 -7.140 1.00 0.00 C ATOM 824 CG PRO A 129 -5.586 -0.479 -6.144 1.00 0.00 C ATOM 825 CD PRO A 129 -4.966 -0.814 -4.811 1.00 0.00 C ATOM 0 HA PRO A 129 -3.437 -2.307 -7.073 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.109 0.647 -7.216 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.812 -0.669 -8.135 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -6.138 0.459 -6.086 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.298 -1.249 -6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.888 0.069 -4.177 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.564 -1.545 -4.268 1.00 0.00 H new ATOM 833 N SER A 130 -1.081 -1.701 -7.210 1.00 0.00 N ATOM 834 CA SER A 130 0.330 -1.324 -7.562 1.00 0.00 C ATOM 835 C SER A 130 0.374 -0.270 -8.675 1.00 0.00 C ATOM 836 O SER A 130 1.338 0.461 -8.804 1.00 0.00 O ATOM 837 CB SER A 130 0.956 -2.622 -8.067 1.00 0.00 C ATOM 838 OG SER A 130 0.977 -3.572 -7.014 1.00 0.00 O ATOM 0 H SER A 130 -1.255 -2.706 -7.182 1.00 0.00 H new ATOM 0 HA SER A 130 0.851 -0.894 -6.707 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.386 -3.010 -8.911 1.00 0.00 H new ATOM 0 HB3 SER A 130 1.969 -2.436 -8.425 1.00 0.00 H new ATOM 0 HG SER A 130 1.837 -4.042 -7.014 1.00 0.00 H new ATOM 844 N ASN A 131 -0.650 -0.198 -9.487 1.00 0.00 N ATOM 845 CA ASN A 131 -0.656 0.803 -10.604 1.00 0.00 C ATOM 846 C ASN A 131 -1.178 2.178 -10.137 1.00 0.00 C ATOM 847 O ASN A 131 -1.516 3.022 -10.944 1.00 0.00 O ATOM 848 CB ASN A 131 -1.555 0.205 -11.701 1.00 0.00 C ATOM 849 CG ASN A 131 -2.941 -0.140 -11.145 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.059 -0.863 -10.175 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.003 0.346 -11.726 1.00 0.00 N ATOM 0 H ASN A 131 -1.481 -0.786 -9.428 1.00 0.00 H new ATOM 0 HA ASN A 131 0.354 0.984 -10.972 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -1.655 0.915 -12.522 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.089 -0.692 -12.110 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -4.930 0.119 -11.366 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -3.906 0.953 -12.540 1.00 0.00 H new ATOM 858 N TYR A 132 -1.227 2.413 -8.846 1.00 0.00 N ATOM 859 CA TYR A 132 -1.694 3.736 -8.318 1.00 0.00 C ATOM 860 C TYR A 132 -0.828 4.132 -7.117 1.00 0.00 C ATOM 861 O TYR A 132 -1.281 4.801 -6.207 1.00 0.00 O ATOM 862 CB TYR A 132 -3.134 3.511 -7.852 1.00 0.00 C ATOM 863 CG TYR A 132 -4.091 3.767 -8.992 1.00 0.00 C ATOM 864 CD1 TYR A 132 -4.220 2.833 -10.024 1.00 0.00 C ATOM 865 CD2 TYR A 132 -4.852 4.941 -9.015 1.00 0.00 C ATOM 866 CE1 TYR A 132 -5.109 3.072 -11.078 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.741 5.180 -10.067 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.869 4.246 -11.100 1.00 0.00 C ATOM 869 OH TYR A 132 -6.745 4.483 -12.140 1.00 0.00 O ATOM 0 H TYR A 132 -0.961 1.738 -8.129 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.628 4.523 -9.069 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.252 2.490 -7.489 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.363 4.174 -7.018 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -3.633 1.926 -10.008 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -4.752 5.664 -8.219 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -5.208 2.350 -11.875 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.329 6.086 -10.082 1.00 0.00 H new ATOM 0 HH TYR A 132 -7.194 5.343 -12.000 1.00 0.00 H new ATOM 879 N VAL A 133 0.407 3.694 -7.097 1.00 0.00 N ATOM 880 CA VAL A 133 1.296 4.009 -5.940 1.00 0.00 C ATOM 881 C VAL A 133 2.750 4.171 -6.396 1.00 0.00 C ATOM 882 O VAL A 133 3.106 3.861 -7.517 1.00 0.00 O ATOM 883 CB VAL A 133 1.138 2.803 -4.996 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.456 1.498 -5.737 1.00 0.00 C ATOM 885 CG2 VAL A 133 2.075 2.926 -3.799 1.00 0.00 C ATOM 0 H VAL A 133 0.836 3.132 -7.832 1.00 0.00 H new ATOM 0 HA VAL A 133 1.031 4.948 -5.454 1.00 0.00 H new ATOM 0 HB VAL A 133 0.105 2.788 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.340 0.655 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.773 1.382 -6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.482 1.529 -6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.946 2.063 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 133 3.107 2.966 -4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.843 3.837 -3.247 1.00 0.00 H new ATOM 895 N ALA A 134 3.587 4.650 -5.514 1.00 0.00 N ATOM 896 CA ALA A 134 5.032 4.840 -5.857 1.00 0.00 C ATOM 897 C ALA A 134 5.911 3.995 -4.923 1.00 0.00 C ATOM 898 O ALA A 134 5.690 3.943 -3.729 1.00 0.00 O ATOM 899 CB ALA A 134 5.298 6.332 -5.644 1.00 0.00 C ATOM 0 H ALA A 134 3.332 4.920 -4.564 1.00 0.00 H new ATOM 0 HA ALA A 134 5.261 4.529 -6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.340 6.552 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.650 6.914 -6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.094 6.593 -4.606 1.00 0.00 H new ATOM 905 N ARG A 135 6.898 3.320 -5.466 1.00 0.00 N ATOM 906 CA ARG A 135 7.782 2.462 -4.634 1.00 0.00 C ATOM 907 C ARG A 135 9.043 3.214 -4.184 1.00 0.00 C ATOM 908 O ARG A 135 9.765 3.776 -4.984 1.00 0.00 O ATOM 909 CB ARG A 135 8.153 1.310 -5.568 1.00 0.00 C ATOM 910 CG ARG A 135 9.038 0.308 -4.832 1.00 0.00 C ATOM 911 CD ARG A 135 8.209 -0.914 -4.414 1.00 0.00 C ATOM 912 NE ARG A 135 9.089 -2.116 -4.659 1.00 0.00 N ATOM 913 CZ ARG A 135 9.572 -2.415 -5.847 1.00 0.00 C ATOM 914 NH1 ARG A 135 9.210 -1.748 -6.917 1.00 0.00 N ATOM 915 NH2 ARG A 135 10.398 -3.418 -5.968 1.00 0.00 N ATOM 0 H ARG A 135 7.125 3.332 -6.460 1.00 0.00 H new ATOM 0 HA ARG A 135 7.292 2.135 -3.717 1.00 0.00 H new ATOM 0 HB2 ARG A 135 7.250 0.816 -5.926 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.675 1.695 -6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.862 -0.003 -5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 135 9.479 0.777 -3.953 1.00 0.00 H new ATOM 0 HD2 ARG A 135 7.920 -0.849 -3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.289 -0.979 -4.995 1.00 0.00 H new ATOM 0 HE ARG A 135 9.319 -2.722 -3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 135 8.542 -0.981 -6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 135 9.596 -1.996 -7.828 1.00 0.00 H new ATOM 0 HH21 ARG A 135 10.664 -3.962 -5.147 1.00 0.00 H new ATOM 0 HH22 ARG A 135 10.778 -3.658 -6.884 1.00 0.00 H new ATOM 929 N VAL A 136 9.316 3.198 -2.905 1.00 0.00 N ATOM 930 CA VAL A 136 10.529 3.872 -2.365 1.00 0.00 C ATOM 931 C VAL A 136 11.074 3.087 -1.160 1.00 0.00 C ATOM 932 O VAL A 136 10.526 2.072 -0.766 1.00 0.00 O ATOM 933 CB VAL A 136 10.064 5.256 -1.912 1.00 0.00 C ATOM 934 CG1 VAL A 136 9.673 6.094 -3.130 1.00 0.00 C ATOM 935 CG2 VAL A 136 8.867 5.133 -0.957 1.00 0.00 C ATOM 0 H VAL A 136 8.738 2.738 -2.202 1.00 0.00 H new ATOM 0 HA VAL A 136 11.323 3.932 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 136 10.882 5.746 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.342 7.080 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 136 10.534 6.201 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.864 5.600 -3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.548 6.127 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.044 4.632 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 136 9.158 4.553 -0.082 1.00 0.00 H new ATOM 945 N ASP A 137 12.147 3.557 -0.574 1.00 0.00 N ATOM 946 CA ASP A 137 12.742 2.861 0.601 1.00 0.00 C ATOM 947 C ASP A 137 12.202 3.473 1.896 1.00 0.00 C ATOM 948 O ASP A 137 11.151 4.086 1.908 1.00 0.00 O ATOM 949 CB ASP A 137 14.255 3.117 0.485 1.00 0.00 C ATOM 950 CG ASP A 137 14.777 2.672 -0.892 1.00 0.00 C ATOM 951 OD1 ASP A 137 14.106 1.884 -1.539 1.00 0.00 O ATOM 952 OD2 ASP A 137 15.843 3.129 -1.271 1.00 0.00 O ATOM 0 H ASP A 137 12.639 4.402 -0.865 1.00 0.00 H new ATOM 0 HA ASP A 137 12.504 1.797 0.620 1.00 0.00 H new ATOM 0 HB2 ASP A 137 14.462 4.177 0.633 1.00 0.00 H new ATOM 0 HB3 ASP A 137 14.782 2.576 1.271 1.00 0.00 H new ATOM 957 N SER A 138 12.911 3.308 2.984 1.00 0.00 N ATOM 958 CA SER A 138 12.440 3.873 4.283 1.00 0.00 C ATOM 959 C SER A 138 13.476 4.852 4.843 1.00 0.00 C ATOM 960 O SER A 138 14.599 4.431 5.069 1.00 0.00 O ATOM 961 CB SER A 138 12.290 2.666 5.205 1.00 0.00 C ATOM 962 OG SER A 138 11.564 3.048 6.366 1.00 0.00 O ATOM 0 H SER A 138 13.797 2.805 3.028 1.00 0.00 H new ATOM 0 HA SER A 138 11.507 4.426 4.179 1.00 0.00 H new ATOM 0 HB2 SER A 138 11.771 1.860 4.686 1.00 0.00 H new ATOM 0 HB3 SER A 138 13.272 2.284 5.485 1.00 0.00 H new ATOM 0 HG SER A 138 11.465 2.274 6.959 1.00 0.00 H new TER 968 SER A 138