USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 406 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 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 113:sc= 1.07 USER MOD Single : A 98 SER OG : rot -163:sc= 1.05 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -156:sc= -2.32 (180deg=-4.18!) USER MOD Single : A 111 SER OG : rot 180:sc= 0.0476 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= -0.435 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 -119:sc= 0.81 USER MOD Single : A 131 ASN : amide:sc= 0.245 K(o=0.24,f=-3.2!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 81 11.577 -1.156 1.100 1.00 0.00 N ATOM 40 CA ILE A 81 10.323 -1.786 0.582 1.00 0.00 C ATOM 41 C ILE A 81 9.086 -1.012 1.045 1.00 0.00 C ATOM 42 O ILE A 81 8.100 -1.612 1.403 1.00 0.00 O ATOM 43 CB ILE A 81 10.334 -3.225 1.157 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.212 -4.107 0.536 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.156 -3.180 2.682 1.00 0.00 C ATOM 46 CD1 ILE A 81 9.224 -3.998 -0.993 1.00 0.00 C ATOM 0 HA ILE A 81 10.283 -1.784 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 81 11.296 -3.671 0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.353 -5.146 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.241 -3.794 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.165 -4.195 3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.971 -2.609 3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 81 9.206 -2.704 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.432 -4.622 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.060 -2.961 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.188 -4.334 -1.374 1.00 0.00 H new ATOM 58 N ILE A 82 9.111 0.306 1.032 1.00 0.00 N ATOM 59 CA ILE A 82 7.895 1.060 1.455 1.00 0.00 C ATOM 60 C ILE A 82 7.292 1.734 0.224 1.00 0.00 C ATOM 61 O ILE A 82 7.925 1.804 -0.807 1.00 0.00 O ATOM 62 CB ILE A 82 8.359 2.103 2.483 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.960 1.384 3.700 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.159 2.960 2.937 1.00 0.00 C ATOM 65 CD1 ILE A 82 10.212 2.125 4.179 1.00 0.00 C ATOM 0 H ILE A 82 9.908 0.877 0.751 1.00 0.00 H new ATOM 0 HA ILE A 82 7.136 0.414 1.897 1.00 0.00 H new ATOM 0 HB ILE A 82 9.110 2.748 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.226 1.336 4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.213 0.357 3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.494 3.698 3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.730 3.470 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.404 2.318 3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.632 1.609 5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.949 2.150 3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.947 3.144 4.459 1.00 0.00 H new ATOM 77 N VAL A 83 6.085 2.229 0.323 1.00 0.00 N ATOM 78 CA VAL A 83 5.447 2.905 -0.852 1.00 0.00 C ATOM 79 C VAL A 83 4.546 4.056 -0.389 1.00 0.00 C ATOM 80 O VAL A 83 4.209 4.168 0.775 1.00 0.00 O ATOM 81 CB VAL A 83 4.580 1.849 -1.564 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.444 0.891 -2.383 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.752 1.049 -0.550 1.00 0.00 C ATOM 0 H VAL A 83 5.512 2.195 1.166 1.00 0.00 H new ATOM 0 HA VAL A 83 6.213 3.313 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 83 3.906 2.379 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.807 0.156 -2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.997 1.453 -3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.145 0.380 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.148 0.310 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.420 0.543 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.099 1.726 0.001 1.00 0.00 H new ATOM 93 N VAL A 84 4.124 4.889 -1.308 1.00 0.00 N ATOM 94 CA VAL A 84 3.210 6.009 -0.947 1.00 0.00 C ATOM 95 C VAL A 84 1.997 5.984 -1.881 1.00 0.00 C ATOM 96 O VAL A 84 2.135 6.018 -3.094 1.00 0.00 O ATOM 97 CB VAL A 84 4.026 7.315 -1.098 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.230 7.682 -2.573 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.267 8.456 -0.420 1.00 0.00 C ATOM 0 H VAL A 84 4.376 4.839 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 84 2.836 5.927 0.073 1.00 0.00 H new ATOM 0 HB VAL A 84 5.002 7.160 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.807 8.604 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.768 6.879 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.260 7.824 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.834 9.381 -0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.292 8.575 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.133 8.226 0.637 1.00 0.00 H new ATOM 109 N ALA A 85 0.818 5.921 -1.329 1.00 0.00 N ATOM 110 CA ALA A 85 -0.396 5.901 -2.185 1.00 0.00 C ATOM 111 C ALA A 85 -0.521 7.245 -2.886 1.00 0.00 C ATOM 112 O ALA A 85 -0.665 8.269 -2.237 1.00 0.00 O ATOM 113 CB ALA A 85 -1.568 5.697 -1.238 1.00 0.00 C ATOM 0 H ALA A 85 0.644 5.883 -0.325 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.359 5.118 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.497 5.673 -1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.445 4.754 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.604 6.517 -0.521 1.00 0.00 H new ATOM 119 N LEU A 86 -0.458 7.242 -4.195 1.00 0.00 N ATOM 120 CA LEU A 86 -0.553 8.517 -4.963 1.00 0.00 C ATOM 121 C LEU A 86 -1.992 8.790 -5.410 1.00 0.00 C ATOM 122 O LEU A 86 -2.246 9.735 -6.131 1.00 0.00 O ATOM 123 CB LEU A 86 0.334 8.296 -6.187 1.00 0.00 C ATOM 124 CG LEU A 86 1.802 8.302 -5.762 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.686 7.920 -6.952 1.00 0.00 C ATOM 126 CD2 LEU A 86 2.184 9.701 -5.276 1.00 0.00 C ATOM 0 H LEU A 86 -0.344 6.404 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.245 9.372 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.086 7.347 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.155 9.078 -6.925 1.00 0.00 H new ATOM 0 HG LEU A 86 1.947 7.581 -4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.732 7.925 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.416 6.923 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.541 8.639 -7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.231 9.707 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.036 10.419 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.558 9.975 -4.427 1.00 0.00 H new ATOM 138 N TYR A 87 -2.939 7.978 -4.990 1.00 0.00 N ATOM 139 CA TYR A 87 -4.370 8.210 -5.383 1.00 0.00 C ATOM 140 C TYR A 87 -5.287 7.634 -4.297 1.00 0.00 C ATOM 141 O TYR A 87 -4.921 6.703 -3.604 1.00 0.00 O ATOM 142 CB TYR A 87 -4.600 7.476 -6.717 1.00 0.00 C ATOM 143 CG TYR A 87 -3.527 7.830 -7.723 1.00 0.00 C ATOM 144 CD1 TYR A 87 -3.683 8.940 -8.561 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.375 7.042 -7.812 1.00 0.00 C ATOM 146 CE1 TYR A 87 -2.684 9.260 -9.488 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.377 7.359 -8.737 1.00 0.00 C ATOM 148 CZ TYR A 87 -1.530 8.469 -9.576 1.00 0.00 C ATOM 149 OH TYR A 87 -0.547 8.784 -10.490 1.00 0.00 O ATOM 0 H TYR A 87 -2.782 7.166 -4.393 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.587 9.273 -5.492 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.604 6.399 -6.548 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.579 7.739 -7.117 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.573 9.549 -8.493 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.257 6.186 -7.164 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.802 10.116 -10.135 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.489 6.748 -8.805 1.00 0.00 H new ATOM 0 HH TYR A 87 0.185 8.136 -10.420 1.00 0.00 H new ATOM 159 N ASP A 88 -6.464 8.185 -4.134 1.00 0.00 N ATOM 160 CA ASP A 88 -7.391 7.667 -3.084 1.00 0.00 C ATOM 161 C ASP A 88 -7.908 6.283 -3.494 1.00 0.00 C ATOM 162 O ASP A 88 -8.161 6.040 -4.659 1.00 0.00 O ATOM 163 CB ASP A 88 -8.541 8.674 -3.015 1.00 0.00 C ATOM 164 CG ASP A 88 -8.039 9.988 -2.412 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.595 9.963 -1.276 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.108 10.996 -3.096 1.00 0.00 O ATOM 0 H ASP A 88 -6.821 8.968 -4.681 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.901 7.560 -2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.943 8.850 -4.013 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.354 8.272 -2.410 1.00 0.00 H new ATOM 171 N TYR A 89 -8.059 5.373 -2.557 1.00 0.00 N ATOM 172 CA TYR A 89 -8.558 4.006 -2.924 1.00 0.00 C ATOM 173 C TYR A 89 -9.228 3.311 -1.731 1.00 0.00 C ATOM 174 O TYR A 89 -8.644 3.178 -0.673 1.00 0.00 O ATOM 175 CB TYR A 89 -7.309 3.230 -3.346 1.00 0.00 C ATOM 176 CG TYR A 89 -7.722 1.875 -3.872 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.417 1.777 -5.085 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.429 0.719 -3.137 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.822 0.522 -5.561 1.00 0.00 C ATOM 180 CE2 TYR A 89 -7.831 -0.536 -3.615 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.529 -0.635 -4.826 1.00 0.00 C ATOM 182 OH TYR A 89 -8.929 -1.869 -5.295 1.00 0.00 O ATOM 0 H TYR A 89 -7.861 5.515 -1.566 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.310 4.058 -3.711 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.765 3.781 -4.113 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.634 3.114 -2.498 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.641 2.668 -5.653 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.893 0.795 -2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.360 0.447 -6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.603 -1.427 -3.049 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.141 -2.398 -5.537 1.00 0.00 H new ATOM 192 N GLU A 90 -10.440 2.844 -1.911 1.00 0.00 N ATOM 193 CA GLU A 90 -11.151 2.135 -0.807 1.00 0.00 C ATOM 194 C GLU A 90 -11.058 0.616 -1.016 1.00 0.00 C ATOM 195 O GLU A 90 -11.462 0.089 -2.034 1.00 0.00 O ATOM 196 CB GLU A 90 -12.601 2.609 -0.894 1.00 0.00 C ATOM 197 CG GLU A 90 -13.377 2.089 0.316 1.00 0.00 C ATOM 198 CD GLU A 90 -13.028 2.929 1.546 1.00 0.00 C ATOM 199 OE1 GLU A 90 -13.082 4.143 1.444 1.00 0.00 O ATOM 200 OE2 GLU A 90 -12.710 2.343 2.569 1.00 0.00 O ATOM 0 H GLU A 90 -10.968 2.925 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.719 2.348 0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.638 3.698 -0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.058 2.249 -1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.449 2.137 0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.132 1.042 0.496 1.00 0.00 H new ATOM 207 N ALA A 91 -10.512 -0.077 -0.053 1.00 0.00 N ATOM 208 CA ALA A 91 -10.354 -1.563 -0.161 1.00 0.00 C ATOM 209 C ALA A 91 -11.691 -2.262 -0.430 1.00 0.00 C ATOM 210 O ALA A 91 -12.751 -1.706 -0.223 1.00 0.00 O ATOM 211 CB ALA A 91 -9.806 -1.987 1.198 1.00 0.00 C ATOM 0 H ALA A 91 -10.163 0.326 0.817 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.702 -1.835 -0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.658 -3.067 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.853 -1.489 1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.514 -1.709 1.979 1.00 0.00 H new ATOM 285 N ASP A 96 -7.794 -6.830 2.683 1.00 0.00 N ATOM 286 CA ASP A 96 -7.583 -5.594 1.857 1.00 0.00 C ATOM 287 C ASP A 96 -7.364 -4.352 2.744 1.00 0.00 C ATOM 288 O ASP A 96 -7.761 -4.324 3.893 1.00 0.00 O ATOM 289 CB ASP A 96 -8.865 -5.456 1.024 1.00 0.00 C ATOM 290 CG ASP A 96 -10.075 -5.226 1.942 1.00 0.00 C ATOM 291 OD1 ASP A 96 -10.130 -5.843 2.991 1.00 0.00 O ATOM 292 OD2 ASP A 96 -10.925 -4.432 1.579 1.00 0.00 O ATOM 0 HA ASP A 96 -6.692 -5.671 1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.766 -4.624 0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.018 -6.356 0.428 1.00 0.00 H new ATOM 297 N LEU A 97 -6.727 -3.333 2.215 1.00 0.00 N ATOM 298 CA LEU A 97 -6.476 -2.095 3.018 1.00 0.00 C ATOM 299 C LEU A 97 -6.737 -0.846 2.172 1.00 0.00 C ATOM 300 O LEU A 97 -6.293 -0.748 1.042 1.00 0.00 O ATOM 301 CB LEU A 97 -4.998 -2.165 3.415 1.00 0.00 C ATOM 302 CG LEU A 97 -4.648 -0.977 4.320 1.00 0.00 C ATOM 303 CD1 LEU A 97 -3.670 -1.431 5.405 1.00 0.00 C ATOM 304 CD2 LEU A 97 -3.994 0.133 3.490 1.00 0.00 C ATOM 0 H LEU A 97 -6.370 -3.307 1.260 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.132 -2.035 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.795 -3.102 3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.371 -2.152 2.523 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.561 -0.599 4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.422 -0.586 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.129 -2.219 6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.761 -1.812 4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.747 0.974 4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.084 -0.247 3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.685 0.463 2.714 1.00 0.00 H new ATOM 316 N SER A 98 -7.437 0.117 2.719 1.00 0.00 N ATOM 317 CA SER A 98 -7.719 1.369 1.958 1.00 0.00 C ATOM 318 C SER A 98 -6.673 2.429 2.291 1.00 0.00 C ATOM 319 O SER A 98 -5.925 2.296 3.241 1.00 0.00 O ATOM 320 CB SER A 98 -9.097 1.831 2.434 1.00 0.00 C ATOM 321 OG SER A 98 -10.013 0.749 2.346 1.00 0.00 O ATOM 0 H SER A 98 -7.825 0.088 3.662 1.00 0.00 H new ATOM 0 HA SER A 98 -7.691 1.206 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.038 2.189 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.443 2.666 1.825 1.00 0.00 H new ATOM 0 HG SER A 98 -10.930 1.092 2.387 1.00 0.00 H new ATOM 327 N PHE A 99 -6.625 3.481 1.519 1.00 0.00 N ATOM 328 CA PHE A 99 -5.638 4.568 1.789 1.00 0.00 C ATOM 329 C PHE A 99 -6.014 5.831 1.012 1.00 0.00 C ATOM 330 O PHE A 99 -7.097 5.926 0.462 1.00 0.00 O ATOM 331 CB PHE A 99 -4.274 4.018 1.361 1.00 0.00 C ATOM 332 CG PHE A 99 -4.309 3.495 -0.061 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.256 4.386 -1.135 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.362 2.116 -0.301 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.260 3.904 -2.451 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.361 1.632 -1.616 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.309 2.526 -2.692 1.00 0.00 C ATOM 0 H PHE A 99 -7.228 3.636 0.711 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.620 4.852 2.841 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.522 4.803 1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.975 3.217 2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.212 5.449 -0.951 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.404 1.425 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.225 4.596 -3.279 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.400 0.568 -1.800 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.307 2.153 -3.706 1.00 0.00 H new ATOM 347 N GLN A 100 -5.147 6.818 0.995 1.00 0.00 N ATOM 348 CA GLN A 100 -5.487 8.086 0.288 1.00 0.00 C ATOM 349 C GLN A 100 -4.447 8.469 -0.774 1.00 0.00 C ATOM 350 O GLN A 100 -3.492 7.766 -1.030 1.00 0.00 O ATOM 351 CB GLN A 100 -5.547 9.148 1.389 1.00 0.00 C ATOM 352 CG GLN A 100 -7.006 9.370 1.801 1.00 0.00 C ATOM 353 CD GLN A 100 -7.057 10.087 3.148 1.00 0.00 C ATOM 354 OE1 GLN A 100 -6.410 11.099 3.339 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.808 9.603 4.100 1.00 0.00 N ATOM 0 H GLN A 100 -4.228 6.797 1.437 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.426 7.985 -0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.959 8.829 2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.112 10.082 1.033 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.522 9.961 1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.525 8.414 1.867 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.351 8.754 3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.852 10.074 5.004 1.00 0.00 H new ATOM 364 N LYS A 101 -4.697 9.570 -1.425 1.00 0.00 N ATOM 365 CA LYS A 101 -3.820 10.068 -2.537 1.00 0.00 C ATOM 366 C LYS A 101 -2.377 10.376 -2.142 1.00 0.00 C ATOM 367 O LYS A 101 -1.509 10.476 -2.991 1.00 0.00 O ATOM 368 CB LYS A 101 -4.504 11.337 -3.000 1.00 0.00 C ATOM 369 CG LYS A 101 -3.872 11.804 -4.297 1.00 0.00 C ATOM 370 CD LYS A 101 -4.937 12.484 -5.149 1.00 0.00 C ATOM 371 CE LYS A 101 -5.873 11.423 -5.737 1.00 0.00 C ATOM 372 NZ LYS A 101 -6.910 12.196 -6.475 1.00 0.00 N ATOM 0 H LYS A 101 -5.499 10.169 -1.230 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.720 9.293 -3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.569 11.157 -3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.413 12.111 -2.238 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.056 12.496 -4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.444 10.957 -4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.505 13.191 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.468 13.055 -5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.336 10.747 -6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.319 10.811 -4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.590 11.539 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.409 12.826 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.456 12.764 -7.219 1.00 0.00 H new ATOM 386 N GLY A 102 -2.124 10.559 -0.898 1.00 0.00 N ATOM 387 CA GLY A 102 -0.735 10.890 -0.453 1.00 0.00 C ATOM 388 C GLY A 102 -0.429 10.150 0.839 1.00 0.00 C ATOM 389 O GLY A 102 0.167 10.691 1.750 1.00 0.00 O ATOM 0 H GLY A 102 -2.815 10.497 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.018 10.610 -1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.636 11.965 -0.302 1.00 0.00 H new ATOM 393 N ASP A 103 -0.838 8.914 0.926 1.00 0.00 N ATOM 394 CA ASP A 103 -0.570 8.127 2.182 1.00 0.00 C ATOM 395 C ASP A 103 0.757 7.368 2.097 1.00 0.00 C ATOM 396 O ASP A 103 1.328 7.211 1.038 1.00 0.00 O ATOM 397 CB ASP A 103 -1.744 7.159 2.335 1.00 0.00 C ATOM 398 CG ASP A 103 -2.856 7.816 3.167 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.877 9.036 3.249 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.669 7.086 3.710 1.00 0.00 O ATOM 0 H ASP A 103 -1.342 8.412 0.195 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.484 8.789 3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.128 6.881 1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.410 6.241 2.819 1.00 0.00 H new ATOM 405 N GLN A 104 1.236 6.880 3.212 1.00 0.00 N ATOM 406 CA GLN A 104 2.507 6.114 3.223 1.00 0.00 C ATOM 407 C GLN A 104 2.284 4.737 3.839 1.00 0.00 C ATOM 408 O GLN A 104 2.059 4.606 5.027 1.00 0.00 O ATOM 409 CB GLN A 104 3.473 6.918 4.094 1.00 0.00 C ATOM 410 CG GLN A 104 4.261 7.902 3.229 1.00 0.00 C ATOM 411 CD GLN A 104 5.707 7.972 3.728 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.107 8.947 4.332 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.511 6.968 3.503 1.00 0.00 N ATOM 0 H GLN A 104 0.791 6.984 4.124 1.00 0.00 H new ATOM 0 HA GLN A 104 2.894 5.969 2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.920 7.458 4.862 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.158 6.244 4.609 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.239 7.585 2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.802 8.890 3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.175 6.149 2.996 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.475 7.002 3.834 1.00 0.00 H new ATOM 422 N MET A 105 2.373 3.718 3.041 1.00 0.00 N ATOM 423 CA MET A 105 2.206 2.329 3.555 1.00 0.00 C ATOM 424 C MET A 105 3.435 1.558 3.126 1.00 0.00 C ATOM 425 O MET A 105 3.993 1.836 2.080 1.00 0.00 O ATOM 426 CB MET A 105 0.958 1.755 2.876 1.00 0.00 C ATOM 427 CG MET A 105 -0.234 2.697 3.058 1.00 0.00 C ATOM 428 SD MET A 105 -1.653 2.023 2.168 1.00 0.00 S ATOM 429 CE MET A 105 -0.978 2.214 0.503 1.00 0.00 C ATOM 0 H MET A 105 2.557 3.785 2.040 1.00 0.00 H new ATOM 0 HA MET A 105 2.095 2.281 4.638 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.151 1.605 1.814 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.724 0.778 3.298 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.470 2.806 4.117 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.010 3.691 2.682 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.795 2.270 -0.217 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.387 3.128 0.453 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.344 1.359 0.267 1.00 0.00 H new ATOM 439 N VAL A 106 3.881 0.608 3.899 1.00 0.00 N ATOM 440 CA VAL A 106 5.096 -0.132 3.474 1.00 0.00 C ATOM 441 C VAL A 106 4.674 -1.406 2.739 1.00 0.00 C ATOM 442 O VAL A 106 3.579 -1.890 2.908 1.00 0.00 O ATOM 443 CB VAL A 106 5.936 -0.417 4.747 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.019 0.841 5.627 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.324 -1.556 5.562 1.00 0.00 C ATOM 0 H VAL A 106 3.468 0.318 4.785 1.00 0.00 H new ATOM 0 HA VAL A 106 5.709 0.442 2.779 1.00 0.00 H new ATOM 0 HB VAL A 106 6.937 -0.706 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.611 0.625 6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.489 1.648 5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.015 1.144 5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.932 -1.736 6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.312 -1.285 5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.291 -2.461 4.955 1.00 0.00 H new ATOM 455 N VAL A 107 5.531 -1.938 1.921 1.00 0.00 N ATOM 456 CA VAL A 107 5.176 -3.164 1.152 1.00 0.00 C ATOM 457 C VAL A 107 5.650 -4.419 1.900 1.00 0.00 C ATOM 458 O VAL A 107 6.751 -4.493 2.407 1.00 0.00 O ATOM 459 CB VAL A 107 5.887 -2.996 -0.202 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.754 -4.268 -1.044 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.238 -1.834 -0.953 1.00 0.00 C ATOM 0 H VAL A 107 6.469 -1.577 1.748 1.00 0.00 H new ATOM 0 HA VAL A 107 4.101 -3.286 1.021 1.00 0.00 H new ATOM 0 HB VAL A 107 6.945 -2.801 -0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 107 6.264 -4.128 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.204 -5.106 -0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.699 -4.477 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.732 -1.702 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.182 -2.049 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.337 -0.921 -0.366 1.00 0.00 H new ATOM 471 N LEU A 108 4.799 -5.402 1.951 1.00 0.00 N ATOM 472 CA LEU A 108 5.121 -6.683 2.640 1.00 0.00 C ATOM 473 C LEU A 108 5.654 -7.698 1.619 1.00 0.00 C ATOM 474 O LEU A 108 6.419 -8.584 1.948 1.00 0.00 O ATOM 475 CB LEU A 108 3.771 -7.183 3.177 1.00 0.00 C ATOM 476 CG LEU A 108 3.341 -6.414 4.433 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.551 -5.183 4.029 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.444 -7.316 5.296 1.00 0.00 C ATOM 0 H LEU A 108 3.869 -5.371 1.533 1.00 0.00 H new ATOM 0 HA LEU A 108 5.871 -6.556 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.009 -7.074 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.842 -8.246 3.407 1.00 0.00 H new ATOM 0 HG LEU A 108 4.226 -6.117 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.246 -4.637 4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.172 -4.540 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.666 -5.486 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.136 -6.774 6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.562 -7.605 4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.998 -8.209 5.586 1.00 0.00 H new ATOM 490 N GLU A 109 5.246 -7.564 0.382 1.00 0.00 N ATOM 491 CA GLU A 109 5.705 -8.509 -0.681 1.00 0.00 C ATOM 492 C GLU A 109 5.613 -7.833 -2.053 1.00 0.00 C ATOM 493 O GLU A 109 5.158 -6.711 -2.168 1.00 0.00 O ATOM 494 CB GLU A 109 4.738 -9.695 -0.610 1.00 0.00 C ATOM 495 CG GLU A 109 5.189 -10.672 0.481 1.00 0.00 C ATOM 496 CD GLU A 109 5.026 -12.112 -0.014 1.00 0.00 C ATOM 497 OE1 GLU A 109 3.971 -12.422 -0.542 1.00 0.00 O ATOM 498 OE2 GLU A 109 5.961 -12.880 0.141 1.00 0.00 O ATOM 0 H GLU A 109 4.610 -6.834 0.061 1.00 0.00 H new ATOM 0 HA GLU A 109 6.740 -8.819 -0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.729 -9.341 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.702 -10.204 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.230 -10.483 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.600 -10.519 1.385 1.00 0.00 H new ATOM 505 N GLU A 110 6.029 -8.513 -3.092 1.00 0.00 N ATOM 506 CA GLU A 110 5.957 -7.916 -4.461 1.00 0.00 C ATOM 507 C GLU A 110 5.239 -8.869 -5.424 1.00 0.00 C ATOM 508 O GLU A 110 5.844 -9.755 -6.001 1.00 0.00 O ATOM 509 CB GLU A 110 7.413 -7.715 -4.885 1.00 0.00 C ATOM 510 CG GLU A 110 8.031 -6.571 -4.074 1.00 0.00 C ATOM 511 CD GLU A 110 8.026 -5.288 -4.908 1.00 0.00 C ATOM 512 OE1 GLU A 110 8.963 -5.092 -5.665 1.00 0.00 O ATOM 513 OE2 GLU A 110 7.086 -4.522 -4.773 1.00 0.00 O ATOM 0 H GLU A 110 6.415 -9.456 -3.051 1.00 0.00 H new ATOM 0 HA GLU A 110 5.398 -6.980 -4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.979 -8.633 -4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.464 -7.488 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.468 -6.420 -3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.051 -6.826 -3.786 1.00 0.00 H new ATOM 520 N SER A 111 3.956 -8.687 -5.599 1.00 0.00 N ATOM 521 CA SER A 111 3.180 -9.568 -6.523 1.00 0.00 C ATOM 522 C SER A 111 3.028 -8.891 -7.894 1.00 0.00 C ATOM 523 O SER A 111 3.854 -8.090 -8.289 1.00 0.00 O ATOM 524 CB SER A 111 1.820 -9.736 -5.845 1.00 0.00 C ATOM 525 OG SER A 111 1.203 -10.925 -6.320 1.00 0.00 O ATOM 0 H SER A 111 3.408 -7.960 -5.138 1.00 0.00 H new ATOM 0 HA SER A 111 3.668 -10.526 -6.700 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.943 -9.784 -4.763 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.187 -8.874 -6.056 1.00 0.00 H new ATOM 0 HG SER A 111 0.331 -11.037 -5.886 1.00 0.00 H new ATOM 531 N GLY A 112 1.984 -9.209 -8.622 1.00 0.00 N ATOM 532 CA GLY A 112 1.780 -8.587 -9.964 1.00 0.00 C ATOM 533 C GLY A 112 1.339 -7.131 -9.797 1.00 0.00 C ATOM 534 O GLY A 112 2.083 -6.300 -9.312 1.00 0.00 O ATOM 0 H GLY A 112 1.264 -9.875 -8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.704 -8.633 -10.541 1.00 0.00 H new ATOM 0 HA3 GLY A 112 1.027 -9.143 -10.522 1.00 0.00 H new ATOM 538 N GLU A 113 0.134 -6.819 -10.203 1.00 0.00 N ATOM 539 CA GLU A 113 -0.372 -5.416 -10.082 1.00 0.00 C ATOM 540 C GLU A 113 -1.001 -5.169 -8.699 1.00 0.00 C ATOM 541 O GLU A 113 -1.368 -4.056 -8.370 1.00 0.00 O ATOM 542 CB GLU A 113 -1.430 -5.289 -11.180 1.00 0.00 C ATOM 543 CG GLU A 113 -1.816 -3.818 -11.365 1.00 0.00 C ATOM 544 CD GLU A 113 -3.258 -3.732 -11.868 1.00 0.00 C ATOM 545 OE1 GLU A 113 -4.093 -4.447 -11.338 1.00 0.00 O ATOM 546 OE2 GLU A 113 -3.502 -2.956 -12.775 1.00 0.00 O ATOM 0 H GLU A 113 -0.525 -7.479 -10.615 1.00 0.00 H new ATOM 0 HA GLU A 113 0.430 -4.685 -10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.045 -5.693 -12.116 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.311 -5.875 -10.918 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.716 -3.283 -10.421 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.142 -3.340 -12.076 1.00 0.00 H new ATOM 553 N TRP A 114 -1.141 -6.195 -7.894 1.00 0.00 N ATOM 554 CA TRP A 114 -1.749 -6.018 -6.541 1.00 0.00 C ATOM 555 C TRP A 114 -0.735 -6.416 -5.464 1.00 0.00 C ATOM 556 O TRP A 114 -0.507 -7.588 -5.226 1.00 0.00 O ATOM 557 CB TRP A 114 -2.954 -6.960 -6.519 1.00 0.00 C ATOM 558 CG TRP A 114 -4.025 -6.438 -7.426 1.00 0.00 C ATOM 559 CD1 TRP A 114 -4.165 -6.765 -8.732 1.00 0.00 C ATOM 560 CD2 TRP A 114 -5.109 -5.512 -7.117 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.264 -6.099 -9.245 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.879 -5.314 -8.287 1.00 0.00 C ATOM 563 CE3 TRP A 114 -5.495 -4.830 -5.947 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.994 -4.473 -8.298 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -6.616 -3.983 -5.953 1.00 0.00 C ATOM 566 CH2 TRP A 114 -7.364 -3.805 -7.127 1.00 0.00 C ATOM 0 H TRP A 114 -0.859 -7.149 -8.118 1.00 0.00 H new ATOM 0 HA TRP A 114 -2.041 -4.986 -6.346 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.652 -7.958 -6.835 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.338 -7.050 -5.503 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.524 -7.436 -9.284 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.582 -6.177 -10.211 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -4.925 -4.959 -5.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.566 -4.340 -9.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -6.904 -3.466 -5.049 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -8.225 -3.153 -7.126 1.00 0.00 H new ATOM 577 N TRP A 115 -0.120 -5.456 -4.819 1.00 0.00 N ATOM 578 CA TRP A 115 0.890 -5.787 -3.766 1.00 0.00 C ATOM 579 C TRP A 115 0.266 -5.698 -2.374 1.00 0.00 C ATOM 580 O TRP A 115 -0.705 -4.996 -2.162 1.00 0.00 O ATOM 581 CB TRP A 115 1.988 -4.722 -3.894 1.00 0.00 C ATOM 582 CG TRP A 115 2.663 -4.776 -5.235 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.649 -5.822 -6.102 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.466 -3.737 -5.867 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.393 -5.485 -7.220 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.914 -4.210 -7.125 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.841 -2.439 -5.473 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.709 -3.422 -7.960 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.639 -1.644 -6.311 1.00 0.00 C ATOM 590 CH2 TRP A 115 5.072 -2.134 -7.553 1.00 0.00 C ATOM 0 H TRP A 115 -0.273 -4.460 -4.975 1.00 0.00 H new ATOM 0 HA TRP A 115 1.273 -6.799 -3.895 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.555 -3.733 -3.745 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.729 -4.867 -3.108 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.141 -6.762 -5.945 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.539 -6.104 -8.018 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.513 -2.052 -4.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 5.041 -3.805 -8.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.921 -0.650 -5.998 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.685 -1.517 -8.194 1.00 0.00 H new ATOM 601 N LYS A 116 0.846 -6.378 -1.419 1.00 0.00 N ATOM 602 CA LYS A 116 0.314 -6.320 -0.023 1.00 0.00 C ATOM 603 C LYS A 116 1.125 -5.300 0.780 1.00 0.00 C ATOM 604 O LYS A 116 2.323 -5.427 0.883 1.00 0.00 O ATOM 605 CB LYS A 116 0.525 -7.727 0.545 1.00 0.00 C ATOM 606 CG LYS A 116 -0.818 -8.452 0.642 1.00 0.00 C ATOM 607 CD LYS A 116 -0.572 -9.958 0.749 1.00 0.00 C ATOM 608 CE LYS A 116 -1.577 -10.573 1.727 1.00 0.00 C ATOM 609 NZ LYS A 116 -0.919 -11.812 2.224 1.00 0.00 N ATOM 0 H LYS A 116 1.666 -6.972 -1.545 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.734 -6.022 0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 116 1.207 -8.289 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.988 -7.666 1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.373 -8.100 1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.427 -8.233 -0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.671 -10.424 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.446 -10.147 1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.801 -9.889 2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.522 -10.799 1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.547 -12.291 2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.724 -12.447 1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.026 -11.565 2.696 1.00 0.00 H new ATOM 623 N ALA A 117 0.495 -4.288 1.332 1.00 0.00 N ATOM 624 CA ALA A 117 1.266 -3.264 2.105 1.00 0.00 C ATOM 625 C ALA A 117 0.626 -2.980 3.475 1.00 0.00 C ATOM 626 O ALA A 117 -0.535 -3.261 3.712 1.00 0.00 O ATOM 627 CB ALA A 117 1.222 -2.010 1.237 1.00 0.00 C ATOM 0 H ALA A 117 -0.511 -4.129 1.281 1.00 0.00 H new ATOM 0 HA ALA A 117 2.281 -3.605 2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.766 -1.206 1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.682 -2.219 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.186 -1.708 1.087 1.00 0.00 H new ATOM 633 N ARG A 118 1.390 -2.408 4.373 1.00 0.00 N ATOM 634 CA ARG A 118 0.878 -2.083 5.726 1.00 0.00 C ATOM 635 C ARG A 118 0.862 -0.561 5.925 1.00 0.00 C ATOM 636 O ARG A 118 1.877 0.100 5.814 1.00 0.00 O ATOM 637 CB ARG A 118 1.873 -2.766 6.669 1.00 0.00 C ATOM 638 CG ARG A 118 1.581 -2.387 8.126 1.00 0.00 C ATOM 639 CD ARG A 118 2.848 -1.825 8.779 1.00 0.00 C ATOM 640 NE ARG A 118 3.840 -2.948 8.739 1.00 0.00 N ATOM 641 CZ ARG A 118 5.114 -2.750 9.021 1.00 0.00 C ATOM 642 NH1 ARG A 118 5.565 -1.564 9.364 1.00 0.00 N ATOM 643 NH2 ARG A 118 5.942 -3.755 8.964 1.00 0.00 N ATOM 0 H ARG A 118 2.364 -2.151 4.215 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.143 -2.422 5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.812 -3.848 6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.890 -2.473 6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.781 -1.647 8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 118 1.234 -3.261 8.677 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.217 -0.954 8.238 1.00 0.00 H new ATOM 0 HD3 ARG A 118 2.655 -1.506 9.803 1.00 0.00 H new ATOM 0 HE ARG A 118 3.524 -3.885 8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.926 -0.771 9.417 1.00 0.00 H new ATOM 0 HH12 ARG A 118 6.554 -1.437 9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 118 5.603 -4.681 8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 118 6.929 -3.615 9.180 1.00 0.00 H new ATOM 657 N SER A 119 -0.287 -0.010 6.222 1.00 0.00 N ATOM 658 CA SER A 119 -0.393 1.465 6.431 1.00 0.00 C ATOM 659 C SER A 119 -0.022 1.829 7.869 1.00 0.00 C ATOM 660 O SER A 119 -0.560 1.280 8.820 1.00 0.00 O ATOM 661 CB SER A 119 -1.856 1.807 6.156 1.00 0.00 C ATOM 662 OG SER A 119 -2.016 3.220 6.154 1.00 0.00 O ATOM 0 H SER A 119 -1.162 -0.523 6.329 1.00 0.00 H new ATOM 0 HA SER A 119 0.284 2.017 5.779 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.164 1.393 5.196 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.495 1.358 6.916 1.00 0.00 H new ATOM 0 HG SER A 119 -2.954 3.443 5.976 1.00 0.00 H new ATOM 668 N LEU A 120 0.893 2.755 8.025 1.00 0.00 N ATOM 669 CA LEU A 120 1.326 3.182 9.390 1.00 0.00 C ATOM 670 C LEU A 120 0.249 4.044 10.055 1.00 0.00 C ATOM 671 O LEU A 120 0.161 4.108 11.266 1.00 0.00 O ATOM 672 CB LEU A 120 2.594 4.016 9.168 1.00 0.00 C ATOM 673 CG LEU A 120 3.680 3.147 8.532 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.582 4.020 7.657 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.521 2.496 9.632 1.00 0.00 C ATOM 0 H LEU A 120 1.362 3.237 7.258 1.00 0.00 H new ATOM 0 HA LEU A 120 1.500 2.325 10.041 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.373 4.867 8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.947 4.418 10.118 1.00 0.00 H new ATOM 0 HG LEU A 120 3.215 2.373 7.921 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.357 3.402 7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.986 4.489 6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.047 4.792 8.270 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.295 1.876 9.179 1.00 0.00 H new ATOM 0 HD22 LEU A 120 4.986 3.271 10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.881 1.876 10.260 1.00 0.00 H new ATOM 687 N ALA A 121 -0.561 4.718 9.274 1.00 0.00 N ATOM 688 CA ALA A 121 -1.629 5.590 9.865 1.00 0.00 C ATOM 689 C ALA A 121 -2.523 4.783 10.814 1.00 0.00 C ATOM 690 O ALA A 121 -2.963 5.282 11.834 1.00 0.00 O ATOM 691 CB ALA A 121 -2.437 6.107 8.675 1.00 0.00 C ATOM 0 H ALA A 121 -0.530 4.703 8.255 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.205 6.405 10.452 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.238 6.754 9.033 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.784 6.672 8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.866 5.264 8.133 1.00 0.00 H new ATOM 697 N THR A 122 -2.777 3.540 10.494 1.00 0.00 N ATOM 698 CA THR A 122 -3.624 2.690 11.387 1.00 0.00 C ATOM 699 C THR A 122 -2.913 1.366 11.705 1.00 0.00 C ATOM 700 O THR A 122 -3.503 0.466 12.271 1.00 0.00 O ATOM 701 CB THR A 122 -4.914 2.429 10.605 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.595 1.902 9.325 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.695 3.732 10.443 1.00 0.00 C ATOM 0 H THR A 122 -2.435 3.076 9.653 1.00 0.00 H new ATOM 0 HA THR A 122 -3.821 3.181 12.340 1.00 0.00 H new ATOM 0 HB THR A 122 -5.526 1.711 11.151 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.421 1.733 8.825 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.612 3.540 9.886 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.945 4.131 11.426 1.00 0.00 H new ATOM 0 HG23 THR A 122 -5.086 4.456 9.901 1.00 0.00 H new ATOM 711 N ARG A 123 -1.651 1.234 11.344 1.00 0.00 N ATOM 712 CA ARG A 123 -0.898 -0.036 11.619 1.00 0.00 C ATOM 713 C ARG A 123 -1.648 -1.239 11.042 1.00 0.00 C ATOM 714 O ARG A 123 -1.606 -2.326 11.589 1.00 0.00 O ATOM 715 CB ARG A 123 -0.807 -0.149 13.145 1.00 0.00 C ATOM 716 CG ARG A 123 -0.062 1.066 13.714 1.00 0.00 C ATOM 717 CD ARG A 123 -1.044 1.985 14.449 1.00 0.00 C ATOM 718 NE ARG A 123 -1.403 1.264 15.710 1.00 0.00 N ATOM 719 CZ ARG A 123 -2.012 1.885 16.703 1.00 0.00 C ATOM 720 NH1 ARG A 123 -2.285 3.170 16.646 1.00 0.00 N ATOM 721 NH2 ARG A 123 -2.342 1.212 17.770 1.00 0.00 N ATOM 0 H ARG A 123 -1.110 1.957 10.869 1.00 0.00 H new ATOM 0 HA ARG A 123 0.089 -0.021 11.158 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.807 -0.207 13.575 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.288 -1.067 13.420 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.721 0.736 14.397 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.428 1.613 12.908 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -0.589 2.951 14.666 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.929 2.178 13.843 1.00 0.00 H new ATOM 0 HE ARG A 123 -1.173 0.275 15.804 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.025 3.710 15.821 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -2.756 3.626 17.427 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -2.129 0.216 17.831 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -2.813 1.681 18.544 1.00 0.00 H new ATOM 735 N LYS A 124 -2.317 -1.056 9.934 1.00 0.00 N ATOM 736 CA LYS A 124 -3.060 -2.189 9.311 1.00 0.00 C ATOM 737 C LYS A 124 -2.326 -2.633 8.048 1.00 0.00 C ATOM 738 O LYS A 124 -1.341 -2.037 7.667 1.00 0.00 O ATOM 739 CB LYS A 124 -4.442 -1.629 8.973 1.00 0.00 C ATOM 740 CG LYS A 124 -5.138 -1.167 10.257 1.00 0.00 C ATOM 741 CD LYS A 124 -6.652 -1.352 10.117 1.00 0.00 C ATOM 742 CE LYS A 124 -7.272 -1.551 11.503 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.714 -1.217 11.333 1.00 0.00 N ATOM 0 H LYS A 124 -2.381 -0.169 9.434 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.138 -3.057 9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.347 -0.794 8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.042 -2.391 8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.769 -1.739 11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.906 -0.120 10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -7.092 -0.481 9.632 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.867 -2.213 9.484 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.143 -2.576 11.849 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -6.801 -0.903 12.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.206 -1.330 12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -8.807 -0.233 11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -9.137 -1.854 10.629 1.00 0.00 H new ATOM 757 N GLU A 125 -2.797 -3.663 7.391 1.00 0.00 N ATOM 758 CA GLU A 125 -2.109 -4.122 6.146 1.00 0.00 C ATOM 759 C GLU A 125 -3.065 -4.871 5.227 1.00 0.00 C ATOM 760 O GLU A 125 -3.868 -5.677 5.657 1.00 0.00 O ATOM 761 CB GLU A 125 -0.950 -5.017 6.605 1.00 0.00 C ATOM 762 CG GLU A 125 -1.459 -6.138 7.516 1.00 0.00 C ATOM 763 CD GLU A 125 -1.456 -5.659 8.970 1.00 0.00 C ATOM 764 OE1 GLU A 125 -0.395 -5.301 9.455 1.00 0.00 O ATOM 765 OE2 GLU A 125 -2.516 -5.660 9.575 1.00 0.00 O ATOM 0 H GLU A 125 -3.621 -4.202 7.660 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.743 -3.276 5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.450 -5.446 5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.210 -4.418 7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -2.467 -6.431 7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -0.827 -7.020 7.412 1.00 0.00 H new ATOM 772 N GLY A 126 -2.971 -4.599 3.951 1.00 0.00 N ATOM 773 CA GLY A 126 -3.856 -5.274 2.969 1.00 0.00 C ATOM 774 C GLY A 126 -3.285 -5.134 1.565 1.00 0.00 C ATOM 775 O GLY A 126 -2.095 -5.053 1.376 1.00 0.00 O ATOM 0 H GLY A 126 -2.312 -3.932 3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -3.958 -6.329 3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.854 -4.839 3.009 1.00 0.00 H new ATOM 779 N TYR A 127 -4.143 -5.102 0.587 1.00 0.00 N ATOM 780 CA TYR A 127 -3.697 -4.985 -0.828 1.00 0.00 C ATOM 781 C TYR A 127 -3.702 -3.523 -1.277 1.00 0.00 C ATOM 782 O TYR A 127 -4.343 -2.684 -0.675 1.00 0.00 O ATOM 783 CB TYR A 127 -4.741 -5.775 -1.619 1.00 0.00 C ATOM 784 CG TYR A 127 -4.739 -7.225 -1.189 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.657 -8.058 -1.506 1.00 0.00 C ATOM 786 CD2 TYR A 127 -5.833 -7.738 -0.483 1.00 0.00 C ATOM 787 CE1 TYR A 127 -3.672 -9.403 -1.114 1.00 0.00 C ATOM 788 CE2 TYR A 127 -5.849 -9.081 -0.093 1.00 0.00 C ATOM 789 CZ TYR A 127 -4.769 -9.915 -0.408 1.00 0.00 C ATOM 790 OH TYR A 127 -4.787 -11.240 -0.023 1.00 0.00 O ATOM 0 H TYR A 127 -5.154 -5.153 0.711 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.682 -5.356 -0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.729 -5.343 -1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.529 -5.705 -2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -2.813 -7.663 -2.052 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.666 -7.096 -0.239 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.838 -10.045 -1.356 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -6.695 -9.475 0.451 1.00 0.00 H new ATOM 0 HH TYR A 127 -5.620 -11.430 0.458 1.00 0.00 H new ATOM 800 N ILE A 128 -2.996 -3.225 -2.337 1.00 0.00 N ATOM 801 CA ILE A 128 -2.941 -1.824 -2.858 1.00 0.00 C ATOM 802 C ILE A 128 -2.599 -1.845 -4.361 1.00 0.00 C ATOM 803 O ILE A 128 -1.541 -2.313 -4.733 1.00 0.00 O ATOM 804 CB ILE A 128 -1.834 -1.108 -2.065 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.546 -1.956 -2.044 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.319 -0.863 -0.635 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.644 -1.107 -2.502 1.00 0.00 C ATOM 0 H ILE A 128 -2.448 -3.900 -2.871 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.896 -1.312 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.610 -0.156 -2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.367 -2.336 -1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.659 -2.822 -2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.538 -0.356 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.214 -0.242 -0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.550 -1.817 -0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.551 -1.712 -2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.466 -0.748 -3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.763 -0.256 -1.832 1.00 0.00 H new ATOM 819 N PRO A 129 -3.504 -1.354 -5.194 1.00 0.00 N ATOM 820 CA PRO A 129 -3.260 -1.351 -6.668 1.00 0.00 C ATOM 821 C PRO A 129 -1.872 -0.788 -7.014 1.00 0.00 C ATOM 822 O PRO A 129 -1.617 0.396 -6.890 1.00 0.00 O ATOM 823 CB PRO A 129 -4.363 -0.453 -7.221 1.00 0.00 C ATOM 824 CG PRO A 129 -5.448 -0.469 -6.191 1.00 0.00 C ATOM 825 CD PRO A 129 -4.811 -0.766 -4.858 1.00 0.00 C ATOM 0 HA PRO A 129 -3.278 -2.356 -7.089 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -3.997 0.560 -7.389 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.727 -0.824 -8.179 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -5.963 0.491 -6.163 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.195 -1.224 -6.434 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.697 0.140 -4.263 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.418 -1.457 -4.274 1.00 0.00 H new ATOM 833 N SER A 130 -0.983 -1.642 -7.455 1.00 0.00 N ATOM 834 CA SER A 130 0.402 -1.194 -7.816 1.00 0.00 C ATOM 835 C SER A 130 0.382 -0.089 -8.881 1.00 0.00 C ATOM 836 O SER A 130 1.365 0.605 -9.071 1.00 0.00 O ATOM 837 CB SER A 130 1.092 -2.438 -8.378 1.00 0.00 C ATOM 838 OG SER A 130 0.896 -3.530 -7.489 1.00 0.00 O ATOM 0 H SER A 130 -1.156 -2.639 -7.582 1.00 0.00 H new ATOM 0 HA SER A 130 0.915 -0.779 -6.948 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.688 -2.678 -9.361 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.157 -2.248 -8.509 1.00 0.00 H new ATOM 0 HG SER A 130 1.764 -3.844 -7.160 1.00 0.00 H new ATOM 844 N ASN A 131 -0.710 0.072 -9.593 1.00 0.00 N ATOM 845 CA ASN A 131 -0.759 1.132 -10.653 1.00 0.00 C ATOM 846 C ASN A 131 -1.229 2.486 -10.082 1.00 0.00 C ATOM 847 O ASN A 131 -1.638 3.363 -10.818 1.00 0.00 O ATOM 848 CB ASN A 131 -1.737 0.606 -11.711 1.00 0.00 C ATOM 849 CG ASN A 131 -3.134 0.436 -11.109 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.384 -0.501 -10.376 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.063 1.306 -11.397 1.00 0.00 N ATOM 0 H ASN A 131 -1.562 -0.479 -9.488 1.00 0.00 H new ATOM 0 HA ASN A 131 0.229 1.319 -11.073 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -1.778 1.297 -12.553 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.383 -0.349 -12.100 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.000 1.200 -11.007 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -3.853 2.092 -12.012 1.00 0.00 H new ATOM 858 N TYR A 132 -1.158 2.664 -8.785 1.00 0.00 N ATOM 859 CA TYR A 132 -1.569 3.966 -8.159 1.00 0.00 C ATOM 860 C TYR A 132 -0.670 4.240 -6.951 1.00 0.00 C ATOM 861 O TYR A 132 -1.121 4.741 -5.935 1.00 0.00 O ATOM 862 CB TYR A 132 -3.013 3.773 -7.675 1.00 0.00 C ATOM 863 CG TYR A 132 -4.010 3.902 -8.815 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.860 4.885 -9.810 1.00 0.00 C ATOM 865 CD2 TYR A 132 -5.107 3.035 -8.861 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.801 4.985 -10.841 1.00 0.00 C ATOM 867 CE2 TYR A 132 -6.047 3.141 -9.889 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.894 4.115 -10.879 1.00 0.00 C ATOM 869 OH TYR A 132 -6.823 4.218 -11.893 1.00 0.00 O ATOM 0 H TYR A 132 -0.830 1.958 -8.125 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.488 4.796 -8.861 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.114 2.791 -7.213 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.241 4.512 -6.907 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -3.019 5.562 -9.778 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.228 2.280 -8.098 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.682 5.736 -11.608 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.892 2.470 -9.919 1.00 0.00 H new ATOM 0 HH TYR A 132 -7.518 3.538 -11.771 1.00 0.00 H new ATOM 879 N VAL A 133 0.588 3.891 -7.038 1.00 0.00 N ATOM 880 CA VAL A 133 1.492 4.101 -5.871 1.00 0.00 C ATOM 881 C VAL A 133 2.954 4.234 -6.302 1.00 0.00 C ATOM 882 O VAL A 133 3.313 3.975 -7.434 1.00 0.00 O ATOM 883 CB VAL A 133 1.280 2.850 -5.013 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.659 1.595 -5.805 1.00 0.00 C ATOM 885 CG2 VAL A 133 2.126 2.914 -3.747 1.00 0.00 C ATOM 0 H VAL A 133 1.024 3.473 -7.860 1.00 0.00 H new ATOM 0 HA VAL A 133 1.268 5.024 -5.336 1.00 0.00 H new ATOM 0 HB VAL A 133 0.226 2.806 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.504 0.712 -5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 133 1.036 1.526 -6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.707 1.653 -6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.960 2.016 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 133 3.180 2.981 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.844 3.791 -3.165 1.00 0.00 H new ATOM 895 N ALA A 134 3.790 4.635 -5.386 1.00 0.00 N ATOM 896 CA ALA A 134 5.246 4.794 -5.699 1.00 0.00 C ATOM 897 C ALA A 134 6.101 4.176 -4.584 1.00 0.00 C ATOM 898 O ALA A 134 5.872 4.412 -3.415 1.00 0.00 O ATOM 899 CB ALA A 134 5.472 6.305 -5.772 1.00 0.00 C ATOM 0 H ALA A 134 3.530 4.862 -4.426 1.00 0.00 H new ATOM 0 HA ALA A 134 5.525 4.294 -6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.519 6.506 -5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.844 6.729 -6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.215 6.758 -4.815 1.00 0.00 H new ATOM 905 N ARG A 135 7.086 3.386 -4.940 1.00 0.00 N ATOM 906 CA ARG A 135 7.956 2.743 -3.914 1.00 0.00 C ATOM 907 C ARG A 135 8.937 3.756 -3.318 1.00 0.00 C ATOM 908 O ARG A 135 9.772 4.314 -4.002 1.00 0.00 O ATOM 909 CB ARG A 135 8.703 1.652 -4.677 1.00 0.00 C ATOM 910 CG ARG A 135 9.616 0.881 -3.729 1.00 0.00 C ATOM 911 CD ARG A 135 8.902 -0.377 -3.208 1.00 0.00 C ATOM 912 NE ARG A 135 9.849 -1.528 -3.453 1.00 0.00 N ATOM 913 CZ ARG A 135 10.298 -1.843 -4.652 1.00 0.00 C ATOM 914 NH1 ARG A 135 9.844 -1.254 -5.730 1.00 0.00 N ATOM 915 NH2 ARG A 135 11.178 -2.800 -4.774 1.00 0.00 N ATOM 0 H ARG A 135 7.323 3.160 -5.906 1.00 0.00 H new ATOM 0 HA ARG A 135 7.383 2.346 -3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 135 7.991 0.971 -5.143 1.00 0.00 H new ATOM 0 HB3 ARG A 135 9.291 2.096 -5.480 1.00 0.00 H new ATOM 0 HG2 ARG A 135 10.534 0.599 -4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 135 9.904 1.517 -2.892 1.00 0.00 H new ATOM 0 HD2 ARG A 135 8.670 -0.282 -2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.957 -0.532 -3.728 1.00 0.00 H new ATOM 0 HE ARG A 135 10.155 -2.086 -2.656 1.00 0.00 H new ATOM 0 HH11 ARG A 135 9.126 -0.533 -5.654 1.00 0.00 H new ATOM 0 HH12 ARG A 135 10.208 -1.516 -6.646 1.00 0.00 H new ATOM 0 HH21 ARG A 135 11.511 -3.295 -3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 135 11.532 -3.052 -5.697 1.00 0.00 H new