USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 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 180:sc= 0 USER MOD Single : A 98 SER OG : rot -159:sc= 1.03 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.445 X(o=-0.44,f=-0.11) USER MOD Single : A 105 MET CE :methyl -127:sc= -2.96 (180deg=-4.45!) 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 -170:sc= -0.0192 USER MOD Single : A 124 LYS NZ :NH3+ -116:sc= -0.0246 (180deg=-0.305) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -128:sc= 0.765 USER MOD Single : A 131 ASN : amide:sc= -3.2 K(o=-3.2,f=-10!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 81 10.872 -1.798 0.846 1.00 0.00 N ATOM 40 CA ILE A 81 9.694 -1.876 -0.066 1.00 0.00 C ATOM 41 C ILE A 81 8.550 -0.976 0.425 1.00 0.00 C ATOM 42 O ILE A 81 7.420 -1.412 0.517 1.00 0.00 O ATOM 43 CB ILE A 81 9.265 -3.350 -0.095 1.00 0.00 C ATOM 44 CG1 ILE A 81 8.803 -3.816 1.314 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.419 -4.212 -0.632 1.00 0.00 C ATOM 46 CD1 ILE A 81 9.962 -4.382 2.156 1.00 0.00 C ATOM 0 HA ILE A 81 9.951 -1.524 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 81 8.413 -3.466 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.351 -2.976 1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.030 -4.577 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.113 -5.258 -0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.675 -3.889 -1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.288 -4.101 0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.586 -4.693 3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.398 -5.240 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.724 -3.614 2.289 1.00 0.00 H new ATOM 58 N ILE A 82 8.816 0.282 0.709 1.00 0.00 N ATOM 59 CA ILE A 82 7.703 1.179 1.156 1.00 0.00 C ATOM 60 C ILE A 82 7.233 2.006 -0.028 1.00 0.00 C ATOM 61 O ILE A 82 7.998 2.302 -0.921 1.00 0.00 O ATOM 62 CB ILE A 82 8.260 2.089 2.254 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.881 1.245 3.371 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.121 2.941 2.837 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.623 2.161 4.346 1.00 0.00 C ATOM 0 H ILE A 82 9.737 0.717 0.652 1.00 0.00 H new ATOM 0 HA ILE A 82 6.858 0.607 1.538 1.00 0.00 H new ATOM 0 HB ILE A 82 9.025 2.736 1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.105 0.689 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.568 0.512 2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.516 3.590 3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.682 3.550 2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.357 2.288 3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.066 1.563 5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.409 2.697 3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.923 2.877 4.777 1.00 0.00 H new ATOM 77 N VAL A 83 5.984 2.371 -0.045 1.00 0.00 N ATOM 78 CA VAL A 83 5.457 3.171 -1.180 1.00 0.00 C ATOM 79 C VAL A 83 4.552 4.292 -0.664 1.00 0.00 C ATOM 80 O VAL A 83 4.197 4.333 0.500 1.00 0.00 O ATOM 81 CB VAL A 83 4.654 2.171 -2.026 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.578 1.048 -2.516 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.519 1.564 -1.189 1.00 0.00 C ATOM 0 H VAL A 83 5.303 2.149 0.681 1.00 0.00 H new ATOM 0 HA VAL A 83 6.250 3.648 -1.755 1.00 0.00 H new ATOM 0 HB VAL A 83 4.229 2.696 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.005 0.341 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.378 1.473 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.009 0.531 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.956 0.857 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.939 1.046 -0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.855 2.358 -0.847 1.00 0.00 H new ATOM 93 N VAL A 84 4.155 5.184 -1.532 1.00 0.00 N ATOM 94 CA VAL A 84 3.247 6.285 -1.109 1.00 0.00 C ATOM 95 C VAL A 84 2.000 6.269 -1.998 1.00 0.00 C ATOM 96 O VAL A 84 2.094 6.326 -3.212 1.00 0.00 O ATOM 97 CB VAL A 84 4.059 7.595 -1.251 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.148 8.051 -2.713 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.378 8.697 -0.437 1.00 0.00 C ATOM 0 H VAL A 84 4.422 5.196 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 84 2.902 6.181 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 84 5.069 7.405 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.725 8.974 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.637 7.278 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.145 8.226 -3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.945 9.623 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.365 8.851 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.338 8.403 0.612 1.00 0.00 H new ATOM 109 N ALA A 85 0.843 6.180 -1.404 1.00 0.00 N ATOM 110 CA ALA A 85 -0.405 6.163 -2.213 1.00 0.00 C ATOM 111 C ALA A 85 -0.568 7.516 -2.887 1.00 0.00 C ATOM 112 O ALA A 85 -0.686 8.530 -2.218 1.00 0.00 O ATOM 113 CB ALA A 85 -1.538 5.932 -1.219 1.00 0.00 C ATOM 0 H ALA A 85 0.709 6.118 -0.395 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.394 5.394 -2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.489 5.908 -1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.385 4.982 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.551 6.740 -0.488 1.00 0.00 H new ATOM 119 N LEU A 86 -0.574 7.535 -4.198 1.00 0.00 N ATOM 120 CA LEU A 86 -0.718 8.824 -4.936 1.00 0.00 C ATOM 121 C LEU A 86 -2.180 9.092 -5.296 1.00 0.00 C ATOM 122 O LEU A 86 -2.486 10.080 -5.933 1.00 0.00 O ATOM 123 CB LEU A 86 0.101 8.649 -6.216 1.00 0.00 C ATOM 124 CG LEU A 86 1.585 8.509 -5.872 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.378 8.235 -7.150 1.00 0.00 C ATOM 126 CD2 LEU A 86 2.089 9.806 -5.231 1.00 0.00 C ATOM 0 H LEU A 86 -0.485 6.708 -4.789 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.379 9.665 -4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.240 7.767 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.049 9.505 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 86 1.718 7.683 -5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.436 8.135 -6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.022 7.312 -7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.242 9.062 -7.847 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.146 9.704 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.956 10.633 -5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.524 10.005 -4.321 1.00 0.00 H new ATOM 138 N TYR A 87 -3.089 8.226 -4.902 1.00 0.00 N ATOM 139 CA TYR A 87 -4.537 8.450 -5.220 1.00 0.00 C ATOM 140 C TYR A 87 -5.388 7.788 -4.131 1.00 0.00 C ATOM 141 O TYR A 87 -4.975 6.824 -3.512 1.00 0.00 O ATOM 142 CB TYR A 87 -4.799 7.804 -6.594 1.00 0.00 C ATOM 143 CG TYR A 87 -3.792 8.299 -7.609 1.00 0.00 C ATOM 144 CD1 TYR A 87 -3.966 9.543 -8.226 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.671 7.516 -7.912 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.017 10.004 -9.148 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.725 7.974 -8.835 1.00 0.00 C ATOM 148 CZ TYR A 87 -1.895 9.219 -9.452 1.00 0.00 C ATOM 149 OH TYR A 87 -0.957 9.674 -10.358 1.00 0.00 O ATOM 0 H TYR A 87 -2.889 7.376 -4.375 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.791 9.509 -5.253 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.738 6.719 -6.511 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.809 8.042 -6.928 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.830 10.147 -7.992 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.537 6.558 -7.433 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.149 10.964 -9.625 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.864 7.367 -9.072 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.244 9.009 -10.452 1.00 0.00 H new ATOM 159 N ASP A 88 -6.555 8.315 -3.875 1.00 0.00 N ATOM 160 CA ASP A 88 -7.427 7.734 -2.806 1.00 0.00 C ATOM 161 C ASP A 88 -7.977 6.371 -3.249 1.00 0.00 C ATOM 162 O ASP A 88 -8.270 6.168 -4.411 1.00 0.00 O ATOM 163 CB ASP A 88 -8.564 8.742 -2.621 1.00 0.00 C ATOM 164 CG ASP A 88 -8.013 10.026 -1.993 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.411 9.933 -0.936 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.198 11.078 -2.583 1.00 0.00 O ATOM 0 H ASP A 88 -6.945 9.124 -4.359 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.881 7.567 -1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.027 8.965 -3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.340 8.318 -1.984 1.00 0.00 H new ATOM 171 N TYR A 89 -8.119 5.434 -2.335 1.00 0.00 N ATOM 172 CA TYR A 89 -8.659 4.087 -2.722 1.00 0.00 C ATOM 173 C TYR A 89 -9.304 3.374 -1.526 1.00 0.00 C ATOM 174 O TYR A 89 -8.727 3.282 -0.460 1.00 0.00 O ATOM 175 CB TYR A 89 -7.453 3.287 -3.223 1.00 0.00 C ATOM 176 CG TYR A 89 -7.938 1.963 -3.770 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.604 1.916 -5.001 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.744 0.787 -3.035 1.00 0.00 C ATOM 179 CE1 TYR A 89 -9.076 0.695 -5.497 1.00 0.00 C ATOM 180 CE2 TYR A 89 -8.213 -0.436 -3.532 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.881 -0.483 -4.764 1.00 0.00 C ATOM 182 OH TYR A 89 -9.350 -1.686 -5.251 1.00 0.00 O ATOM 0 H TYR A 89 -7.887 5.542 -1.348 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.436 4.183 -3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.926 3.845 -3.997 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.745 3.123 -2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.754 2.823 -5.568 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.233 0.823 -2.084 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.591 0.661 -6.446 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.060 -1.343 -2.966 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.130 -2.403 -4.620 1.00 0.00 H new ATOM 192 N GLU A 90 -10.491 2.852 -1.714 1.00 0.00 N ATOM 193 CA GLU A 90 -11.190 2.128 -0.608 1.00 0.00 C ATOM 194 C GLU A 90 -10.969 0.614 -0.737 1.00 0.00 C ATOM 195 O GLU A 90 -10.874 0.082 -1.827 1.00 0.00 O ATOM 196 CB GLU A 90 -12.669 2.472 -0.792 1.00 0.00 C ATOM 197 CG GLU A 90 -13.313 2.715 0.574 1.00 0.00 C ATOM 198 CD GLU A 90 -13.136 4.181 0.969 1.00 0.00 C ATOM 199 OE1 GLU A 90 -12.039 4.690 0.805 1.00 0.00 O ATOM 200 OE2 GLU A 90 -14.099 4.772 1.429 1.00 0.00 O ATOM 0 H GLU A 90 -11.009 2.897 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.820 2.417 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.771 3.359 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.181 1.659 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.373 2.463 0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.857 2.068 1.323 1.00 0.00 H new ATOM 207 N ALA A 91 -10.885 -0.080 0.373 1.00 0.00 N ATOM 208 CA ALA A 91 -10.666 -1.564 0.330 1.00 0.00 C ATOM 209 C ALA A 91 -11.787 -2.255 -0.461 1.00 0.00 C ATOM 210 O ALA A 91 -12.706 -1.617 -0.938 1.00 0.00 O ATOM 211 CB ALA A 91 -10.684 -2.019 1.794 1.00 0.00 C ATOM 0 H ALA A 91 -10.959 0.317 1.310 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.729 -1.820 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.530 -3.097 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.889 -1.514 2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.647 -1.770 2.241 1.00 0.00 H new ATOM 285 N ASP A 96 -7.883 -6.430 2.716 1.00 0.00 N ATOM 286 CA ASP A 96 -7.811 -5.205 1.863 1.00 0.00 C ATOM 287 C ASP A 96 -7.413 -3.990 2.708 1.00 0.00 C ATOM 288 O ASP A 96 -7.391 -4.057 3.924 1.00 0.00 O ATOM 289 CB ASP A 96 -9.219 -5.033 1.280 1.00 0.00 C ATOM 290 CG ASP A 96 -10.275 -4.957 2.397 1.00 0.00 C ATOM 291 OD1 ASP A 96 -9.900 -5.008 3.559 1.00 0.00 O ATOM 292 OD2 ASP A 96 -11.444 -4.853 2.066 1.00 0.00 O ATOM 0 HA ASP A 96 -7.062 -5.295 1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.258 -4.126 0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.446 -5.868 0.617 1.00 0.00 H new ATOM 297 N LEU A 97 -7.084 -2.888 2.077 1.00 0.00 N ATOM 298 CA LEU A 97 -6.673 -1.676 2.851 1.00 0.00 C ATOM 299 C LEU A 97 -7.025 -0.388 2.096 1.00 0.00 C ATOM 300 O LEU A 97 -6.644 -0.202 0.956 1.00 0.00 O ATOM 301 CB LEU A 97 -5.157 -1.800 2.997 1.00 0.00 C ATOM 302 CG LEU A 97 -4.644 -0.681 3.902 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.721 -1.132 5.360 1.00 0.00 C ATOM 304 CD2 LEU A 97 -3.192 -0.362 3.539 1.00 0.00 C ATOM 0 H LEU A 97 -7.083 -2.776 1.063 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.186 -1.622 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.899 -2.771 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.680 -1.740 2.019 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.256 0.210 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.355 -0.335 6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.755 -1.361 5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.107 -2.022 5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.823 0.436 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.578 -1.252 3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.139 -0.042 2.498 1.00 0.00 H new ATOM 316 N SER A 98 -7.737 0.506 2.737 1.00 0.00 N ATOM 317 CA SER A 98 -8.107 1.795 2.080 1.00 0.00 C ATOM 318 C SER A 98 -7.095 2.881 2.443 1.00 0.00 C ATOM 319 O SER A 98 -6.952 3.246 3.595 1.00 0.00 O ATOM 320 CB SER A 98 -9.471 2.161 2.652 1.00 0.00 C ATOM 321 OG SER A 98 -10.276 0.994 2.754 1.00 0.00 O ATOM 0 H SER A 98 -8.079 0.396 3.692 1.00 0.00 H new ATOM 0 HA SER A 98 -8.122 1.705 0.994 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.353 2.620 3.633 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.959 2.896 2.012 1.00 0.00 H new ATOM 0 HG SER A 98 -11.221 1.251 2.795 1.00 0.00 H new ATOM 327 N PHE A 99 -6.409 3.407 1.467 1.00 0.00 N ATOM 328 CA PHE A 99 -5.408 4.490 1.739 1.00 0.00 C ATOM 329 C PHE A 99 -5.854 5.801 1.085 1.00 0.00 C ATOM 330 O PHE A 99 -6.982 5.922 0.638 1.00 0.00 O ATOM 331 CB PHE A 99 -4.064 4.006 1.168 1.00 0.00 C ATOM 332 CG PHE A 99 -4.208 3.487 -0.250 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.310 4.383 -1.322 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.205 2.107 -0.493 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.414 3.900 -2.634 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.304 1.623 -1.804 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.410 2.520 -2.875 1.00 0.00 C ATOM 0 H PHE A 99 -6.495 3.136 0.487 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.315 4.687 2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.346 4.826 1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.662 3.218 1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.309 5.447 -1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.126 1.415 0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.497 4.592 -3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.299 0.559 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.489 2.148 -3.886 1.00 0.00 H new ATOM 347 N GLN A 100 -4.995 6.795 1.054 1.00 0.00 N ATOM 348 CA GLN A 100 -5.400 8.104 0.460 1.00 0.00 C ATOM 349 C GLN A 100 -4.447 8.562 -0.652 1.00 0.00 C ATOM 350 O GLN A 100 -3.506 7.885 -1.021 1.00 0.00 O ATOM 351 CB GLN A 100 -5.392 9.099 1.629 1.00 0.00 C ATOM 352 CG GLN A 100 -6.804 9.656 1.842 1.00 0.00 C ATOM 353 CD GLN A 100 -6.979 10.058 3.306 1.00 0.00 C ATOM 354 OE1 GLN A 100 -6.593 11.142 3.700 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.548 9.227 4.135 1.00 0.00 N ATOM 0 H GLN A 100 -4.041 6.754 1.412 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.379 8.028 -0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.044 8.606 2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.697 9.913 1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.968 10.518 1.195 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.547 8.907 1.568 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.872 8.318 3.804 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.669 9.486 5.114 1.00 0.00 H new ATOM 364 N LYS A 101 -4.752 9.700 -1.214 1.00 0.00 N ATOM 365 CA LYS A 101 -3.958 10.267 -2.354 1.00 0.00 C ATOM 366 C LYS A 101 -2.493 10.565 -2.042 1.00 0.00 C ATOM 367 O LYS A 101 -1.679 10.668 -2.939 1.00 0.00 O ATOM 368 CB LYS A 101 -4.681 11.550 -2.712 1.00 0.00 C ATOM 369 CG LYS A 101 -4.173 12.048 -4.055 1.00 0.00 C ATOM 370 CD LYS A 101 -5.321 12.714 -4.807 1.00 0.00 C ATOM 371 CE LYS A 101 -6.294 11.639 -5.306 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.398 12.393 -5.963 1.00 0.00 N ATOM 0 H LYS A 101 -5.540 10.280 -0.925 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.906 9.533 -3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.756 11.376 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.513 12.304 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.358 12.757 -3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.774 11.218 -4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.840 13.415 -4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.934 13.289 -5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.807 10.961 -6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.667 11.031 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.105 11.724 -6.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.847 13.025 -5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.014 12.957 -6.748 1.00 0.00 H new ATOM 386 N GLY A 102 -2.161 10.735 -0.812 1.00 0.00 N ATOM 387 CA GLY A 102 -0.744 11.053 -0.446 1.00 0.00 C ATOM 388 C GLY A 102 -0.373 10.299 0.823 1.00 0.00 C ATOM 389 O GLY A 102 0.269 10.828 1.711 1.00 0.00 O ATOM 0 H GLY A 102 -2.805 10.670 -0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.074 10.772 -1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.627 12.126 -0.293 1.00 0.00 H new ATOM 393 N ASP A 103 -0.790 9.068 0.914 1.00 0.00 N ATOM 394 CA ASP A 103 -0.481 8.259 2.144 1.00 0.00 C ATOM 395 C ASP A 103 0.830 7.476 2.003 1.00 0.00 C ATOM 396 O ASP A 103 1.411 7.400 0.944 1.00 0.00 O ATOM 397 CB ASP A 103 -1.665 7.307 2.316 1.00 0.00 C ATOM 398 CG ASP A 103 -2.725 7.976 3.194 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.956 9.160 3.009 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.283 7.296 4.040 1.00 0.00 O ATOM 0 H ASP A 103 -1.329 8.581 0.198 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.345 8.906 3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.088 7.054 1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.334 6.374 2.772 1.00 0.00 H new ATOM 405 N GLN A 104 1.282 6.872 3.076 1.00 0.00 N ATOM 406 CA GLN A 104 2.529 6.064 3.036 1.00 0.00 C ATOM 407 C GLN A 104 2.244 4.660 3.562 1.00 0.00 C ATOM 408 O GLN A 104 1.662 4.488 4.617 1.00 0.00 O ATOM 409 CB GLN A 104 3.515 6.785 3.953 1.00 0.00 C ATOM 410 CG GLN A 104 4.332 7.791 3.142 1.00 0.00 C ATOM 411 CD GLN A 104 5.772 7.816 3.665 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.322 8.871 3.915 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.411 6.689 3.841 1.00 0.00 N ATOM 0 H GLN A 104 0.828 6.909 3.989 1.00 0.00 H new ATOM 0 HA GLN A 104 2.924 5.965 2.025 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.977 7.298 4.750 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.178 6.063 4.429 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.321 7.518 2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.888 8.783 3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.950 5.803 3.632 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.370 6.695 4.188 1.00 0.00 H new ATOM 422 N MET A 105 2.651 3.658 2.833 1.00 0.00 N ATOM 423 CA MET A 105 2.412 2.256 3.275 1.00 0.00 C ATOM 424 C MET A 105 3.662 1.419 3.031 1.00 0.00 C ATOM 425 O MET A 105 4.451 1.709 2.153 1.00 0.00 O ATOM 426 CB MET A 105 1.260 1.756 2.402 1.00 0.00 C ATOM 427 CG MET A 105 -0.011 2.539 2.726 1.00 0.00 C ATOM 428 SD MET A 105 -1.394 1.846 1.789 1.00 0.00 S ATOM 429 CE MET A 105 -0.903 2.466 0.160 1.00 0.00 C ATOM 0 H MET A 105 3.142 3.751 1.944 1.00 0.00 H new ATOM 0 HA MET A 105 2.177 2.189 4.337 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.512 1.874 1.348 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.097 0.692 2.574 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.220 2.490 3.795 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.122 3.591 2.475 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.735 3.010 -0.288 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.048 3.134 0.267 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.630 1.628 -0.481 1.00 0.00 H new ATOM 439 N VAL A 106 3.840 0.382 3.796 1.00 0.00 N ATOM 440 CA VAL A 106 5.029 -0.495 3.606 1.00 0.00 C ATOM 441 C VAL A 106 4.565 -1.764 2.906 1.00 0.00 C ATOM 442 O VAL A 106 3.446 -2.188 3.082 1.00 0.00 O ATOM 443 CB VAL A 106 5.545 -0.829 5.009 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.884 -1.561 4.907 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.731 0.455 5.833 1.00 0.00 C ATOM 0 H VAL A 106 3.211 0.101 4.549 1.00 0.00 H new ATOM 0 HA VAL A 106 5.810 -0.023 3.011 1.00 0.00 H new ATOM 0 HB VAL A 106 4.813 -1.467 5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.247 -1.796 5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.752 -2.484 4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.609 -0.925 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.098 0.199 6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.451 1.105 5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.776 0.972 5.921 1.00 0.00 H new ATOM 455 N VAL A 107 5.402 -2.380 2.129 1.00 0.00 N ATOM 456 CA VAL A 107 4.969 -3.632 1.429 1.00 0.00 C ATOM 457 C VAL A 107 5.401 -4.856 2.235 1.00 0.00 C ATOM 458 O VAL A 107 6.496 -4.926 2.758 1.00 0.00 O ATOM 459 CB VAL A 107 5.619 -3.610 0.041 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.181 -4.847 -0.749 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.169 -2.355 -0.712 1.00 0.00 C ATOM 0 H VAL A 107 6.360 -2.082 1.944 1.00 0.00 H new ATOM 0 HA VAL A 107 3.885 -3.685 1.332 1.00 0.00 H new ATOM 0 HB VAL A 107 6.703 -3.607 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 107 5.643 -4.831 -1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.491 -5.747 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.096 -4.845 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.631 -2.338 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.084 -2.364 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.471 -1.468 -0.155 1.00 0.00 H new ATOM 471 N LEU A 108 4.532 -5.817 2.329 1.00 0.00 N ATOM 472 CA LEU A 108 4.830 -7.061 3.087 1.00 0.00 C ATOM 473 C LEU A 108 5.315 -8.145 2.119 1.00 0.00 C ATOM 474 O LEU A 108 6.084 -9.016 2.476 1.00 0.00 O ATOM 475 CB LEU A 108 3.478 -7.463 3.687 1.00 0.00 C ATOM 476 CG LEU A 108 3.125 -6.560 4.873 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.333 -5.358 4.381 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.268 -7.343 5.873 1.00 0.00 C ATOM 0 H LEU A 108 3.606 -5.793 1.903 1.00 0.00 H new ATOM 0 HA LEU A 108 5.603 -6.927 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.701 -7.393 2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.513 -8.503 4.012 1.00 0.00 H new ATOM 0 HG LEU A 108 4.044 -6.224 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.083 -4.717 5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.932 -4.796 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.416 -5.699 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.016 -6.701 6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.352 -7.676 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.825 -8.210 6.229 1.00 0.00 H new ATOM 490 N GLU A 109 4.865 -8.084 0.893 1.00 0.00 N ATOM 491 CA GLU A 109 5.284 -9.089 -0.126 1.00 0.00 C ATOM 492 C GLU A 109 5.143 -8.494 -1.529 1.00 0.00 C ATOM 493 O GLU A 109 4.279 -7.672 -1.773 1.00 0.00 O ATOM 494 CB GLU A 109 4.319 -10.263 0.048 1.00 0.00 C ATOM 495 CG GLU A 109 4.760 -11.125 1.234 1.00 0.00 C ATOM 496 CD GLU A 109 4.139 -12.517 1.103 1.00 0.00 C ATOM 497 OE1 GLU A 109 4.277 -13.109 0.046 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.534 -12.966 2.063 1.00 0.00 O ATOM 0 H GLU A 109 4.218 -7.373 0.552 1.00 0.00 H new ATOM 0 HA GLU A 109 6.323 -9.394 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.307 -9.893 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.295 -10.864 -0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.847 -11.200 1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.450 -10.662 2.171 1.00 0.00 H new ATOM 505 N GLU A 110 5.970 -8.910 -2.450 1.00 0.00 N ATOM 506 CA GLU A 110 5.871 -8.377 -3.843 1.00 0.00 C ATOM 507 C GLU A 110 5.045 -9.346 -4.699 1.00 0.00 C ATOM 508 O GLU A 110 5.109 -10.547 -4.517 1.00 0.00 O ATOM 509 CB GLU A 110 7.317 -8.298 -4.354 1.00 0.00 C ATOM 510 CG GLU A 110 7.629 -6.873 -4.825 1.00 0.00 C ATOM 511 CD GLU A 110 6.735 -6.514 -6.015 1.00 0.00 C ATOM 512 OE1 GLU A 110 6.425 -7.404 -6.789 1.00 0.00 O ATOM 513 OE2 GLU A 110 6.376 -5.353 -6.130 1.00 0.00 O ATOM 0 H GLU A 110 6.710 -9.596 -2.300 1.00 0.00 H new ATOM 0 HA GLU A 110 5.383 -7.403 -3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.008 -8.588 -3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.460 -9.001 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.467 -6.167 -4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.678 -6.796 -5.110 1.00 0.00 H new ATOM 520 N SER A 111 4.269 -8.835 -5.620 1.00 0.00 N ATOM 521 CA SER A 111 3.438 -9.730 -6.480 1.00 0.00 C ATOM 522 C SER A 111 3.534 -9.299 -7.947 1.00 0.00 C ATOM 523 O SER A 111 4.079 -10.009 -8.772 1.00 0.00 O ATOM 524 CB SER A 111 2.012 -9.576 -5.951 1.00 0.00 C ATOM 525 OG SER A 111 1.195 -10.605 -6.496 1.00 0.00 O ATOM 0 H SER A 111 4.175 -7.838 -5.814 1.00 0.00 H new ATOM 0 HA SER A 111 3.770 -10.768 -6.442 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.008 -9.631 -4.862 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.615 -8.598 -6.223 1.00 0.00 H new ATOM 0 HG SER A 111 0.280 -10.510 -6.157 1.00 0.00 H new ATOM 531 N GLY A 112 3.015 -8.142 -8.279 1.00 0.00 N ATOM 532 CA GLY A 112 3.082 -7.668 -9.695 1.00 0.00 C ATOM 533 C GLY A 112 2.103 -6.511 -9.908 1.00 0.00 C ATOM 534 O GLY A 112 2.502 -5.401 -10.202 1.00 0.00 O ATOM 0 H GLY A 112 2.549 -7.507 -7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.096 -7.345 -9.931 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.842 -8.487 -10.373 1.00 0.00 H new ATOM 538 N GLU A 113 0.827 -6.767 -9.771 1.00 0.00 N ATOM 539 CA GLU A 113 -0.189 -5.686 -9.971 1.00 0.00 C ATOM 540 C GLU A 113 -0.870 -5.352 -8.639 1.00 0.00 C ATOM 541 O GLU A 113 -1.312 -4.239 -8.416 1.00 0.00 O ATOM 542 CB GLU A 113 -1.206 -6.267 -10.956 1.00 0.00 C ATOM 543 CG GLU A 113 -0.504 -6.653 -12.261 1.00 0.00 C ATOM 544 CD GLU A 113 -0.039 -8.109 -12.178 1.00 0.00 C ATOM 545 OE1 GLU A 113 -0.829 -8.939 -11.758 1.00 0.00 O ATOM 546 OE2 GLU A 113 1.097 -8.368 -12.537 1.00 0.00 O ATOM 0 H GLU A 113 0.443 -7.680 -9.529 1.00 0.00 H new ATOM 0 HA GLU A 113 0.259 -4.765 -10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.689 -7.141 -10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.990 -5.537 -11.157 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.183 -6.524 -13.104 1.00 0.00 H new ATOM 0 HG3 GLU A 113 0.349 -5.997 -12.436 1.00 0.00 H new ATOM 553 N TRP A 114 -0.973 -6.320 -7.766 1.00 0.00 N ATOM 554 CA TRP A 114 -1.632 -6.092 -6.448 1.00 0.00 C ATOM 555 C TRP A 114 -0.683 -6.496 -5.314 1.00 0.00 C ATOM 556 O TRP A 114 -0.498 -7.669 -5.046 1.00 0.00 O ATOM 557 CB TRP A 114 -2.861 -7.003 -6.461 1.00 0.00 C ATOM 558 CG TRP A 114 -3.928 -6.409 -7.326 1.00 0.00 C ATOM 559 CD1 TRP A 114 -4.033 -6.587 -8.664 1.00 0.00 C ATOM 560 CD2 TRP A 114 -5.044 -5.552 -6.940 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.140 -5.894 -9.123 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.796 -5.242 -8.099 1.00 0.00 C ATOM 563 CE3 TRP A 114 -5.472 -5.021 -5.712 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.932 -4.434 -8.039 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -6.615 -4.208 -5.647 1.00 0.00 C ATOM 566 CH2 TRP A 114 -7.344 -3.915 -6.809 1.00 0.00 C ATOM 0 H TRP A 114 -0.625 -7.268 -7.913 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.898 -5.047 -6.290 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.588 -7.991 -6.832 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.236 -7.136 -5.446 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.362 -7.174 -9.274 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.435 -5.868 -10.099 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -4.918 -5.240 -4.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.489 -4.211 -8.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -6.935 -3.806 -4.697 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -8.222 -3.289 -6.753 1.00 0.00 H new ATOM 577 N TRP A 115 -0.074 -5.541 -4.654 1.00 0.00 N ATOM 578 CA TRP A 115 0.871 -5.882 -3.543 1.00 0.00 C ATOM 579 C TRP A 115 0.167 -5.783 -2.188 1.00 0.00 C ATOM 580 O TRP A 115 -0.766 -5.024 -2.018 1.00 0.00 O ATOM 581 CB TRP A 115 1.986 -4.829 -3.598 1.00 0.00 C ATOM 582 CG TRP A 115 2.656 -4.792 -4.944 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.667 -5.791 -5.864 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.434 -3.702 -5.521 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.402 -5.377 -6.965 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.892 -4.098 -6.799 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.780 -2.420 -5.060 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.666 -3.250 -7.594 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.559 -1.563 -5.856 1.00 0.00 C ATOM 590 CH2 TRP A 115 5.001 -1.978 -7.120 1.00 0.00 C ATOM 0 H TRP A 115 -0.189 -4.544 -4.835 1.00 0.00 H new ATOM 0 HA TRP A 115 1.249 -6.898 -3.655 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.570 -3.847 -3.373 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.728 -5.045 -2.829 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.183 -6.750 -5.756 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.561 -5.948 -7.795 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.445 -2.091 -4.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 5.003 -3.574 -8.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.818 -0.580 -5.492 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.600 -1.316 -7.727 1.00 0.00 H new ATOM 601 N LYS A 116 0.640 -6.518 -1.216 1.00 0.00 N ATOM 602 CA LYS A 116 0.030 -6.454 0.150 1.00 0.00 C ATOM 603 C LYS A 116 0.874 -5.513 1.016 1.00 0.00 C ATOM 604 O LYS A 116 2.035 -5.778 1.241 1.00 0.00 O ATOM 605 CB LYS A 116 0.109 -7.888 0.690 1.00 0.00 C ATOM 606 CG LYS A 116 -1.299 -8.442 0.919 1.00 0.00 C ATOM 607 CD LYS A 116 -1.212 -9.957 1.153 1.00 0.00 C ATOM 608 CE LYS A 116 -1.616 -10.287 2.594 1.00 0.00 C ATOM 609 NZ LYS A 116 -2.452 -11.518 2.492 1.00 0.00 N ATOM 0 H LYS A 116 1.425 -7.163 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.996 -6.085 0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.647 -8.521 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.670 -7.903 1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.759 -7.955 1.779 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.931 -8.231 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.865 -10.480 0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.197 -10.305 0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -0.740 -10.456 3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.175 -9.467 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.766 -11.804 3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.283 -11.325 1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -1.892 -12.284 2.067 1.00 0.00 H new ATOM 623 N ALA A 117 0.323 -4.419 1.487 1.00 0.00 N ATOM 624 CA ALA A 117 1.145 -3.476 2.308 1.00 0.00 C ATOM 625 C ALA A 117 0.488 -3.145 3.656 1.00 0.00 C ATOM 626 O ALA A 117 -0.672 -3.424 3.892 1.00 0.00 O ATOM 627 CB ALA A 117 1.244 -2.215 1.455 1.00 0.00 C ATOM 0 H ALA A 117 -0.648 -4.141 1.341 1.00 0.00 H new ATOM 0 HA ALA A 117 2.113 -3.913 2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.833 -1.465 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.725 -2.454 0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.244 -1.824 1.266 1.00 0.00 H new ATOM 633 N ARG A 118 1.243 -2.533 4.539 1.00 0.00 N ATOM 634 CA ARG A 118 0.709 -2.158 5.868 1.00 0.00 C ATOM 635 C ARG A 118 0.687 -0.629 5.996 1.00 0.00 C ATOM 636 O ARG A 118 1.689 0.033 5.806 1.00 0.00 O ATOM 637 CB ARG A 118 1.687 -2.791 6.871 1.00 0.00 C ATOM 638 CG ARG A 118 1.368 -2.343 8.306 1.00 0.00 C ATOM 639 CD ARG A 118 2.661 -1.944 9.027 1.00 0.00 C ATOM 640 NE ARG A 118 2.271 -1.752 10.461 1.00 0.00 N ATOM 641 CZ ARG A 118 3.179 -1.559 11.400 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.459 -1.486 11.115 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.796 -1.434 12.640 1.00 0.00 N ATOM 0 H ARG A 118 2.218 -2.278 4.383 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.312 -2.502 6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.630 -3.877 6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.709 -2.509 6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.676 -1.501 8.288 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.874 -3.150 8.847 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.422 -2.718 8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.079 -1.029 8.607 1.00 0.00 H new ATOM 0 HE ARG A 118 1.284 -1.771 10.717 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.772 -1.579 10.149 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.140 -1.336 11.860 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.805 -1.486 12.875 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.488 -1.285 13.375 1.00 0.00 H new ATOM 657 N SER A 119 -0.449 -0.072 6.328 1.00 0.00 N ATOM 658 CA SER A 119 -0.545 1.409 6.481 1.00 0.00 C ATOM 659 C SER A 119 0.020 1.821 7.841 1.00 0.00 C ATOM 660 O SER A 119 -0.477 1.407 8.872 1.00 0.00 O ATOM 661 CB SER A 119 -2.039 1.727 6.405 1.00 0.00 C ATOM 662 OG SER A 119 -2.211 3.090 6.041 1.00 0.00 O ATOM 0 H SER A 119 -1.316 -0.581 6.500 1.00 0.00 H new ATOM 0 HA SER A 119 0.018 1.944 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.524 1.080 5.674 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.513 1.533 7.367 1.00 0.00 H new ATOM 0 HG SER A 119 -3.168 3.297 5.990 1.00 0.00 H new ATOM 668 N LEU A 120 1.057 2.624 7.842 1.00 0.00 N ATOM 669 CA LEU A 120 1.674 3.070 9.131 1.00 0.00 C ATOM 670 C LEU A 120 0.727 4.011 9.884 1.00 0.00 C ATOM 671 O LEU A 120 0.797 4.134 11.092 1.00 0.00 O ATOM 672 CB LEU A 120 2.952 3.817 8.733 1.00 0.00 C ATOM 673 CG LEU A 120 3.946 2.842 8.100 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.910 3.611 7.195 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.738 2.135 9.202 1.00 0.00 C ATOM 0 H LEU A 120 1.504 2.991 7.002 1.00 0.00 H new ATOM 0 HA LEU A 120 1.880 2.227 9.791 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.714 4.615 8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.398 4.287 9.610 1.00 0.00 H new ATOM 0 HG LEU A 120 3.404 2.104 7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.618 2.916 6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.347 4.116 6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.452 4.350 7.785 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.447 1.440 8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.280 2.874 9.792 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.052 1.587 9.848 1.00 0.00 H new ATOM 687 N ALA A 121 -0.151 4.678 9.177 1.00 0.00 N ATOM 688 CA ALA A 121 -1.103 5.613 9.851 1.00 0.00 C ATOM 689 C ALA A 121 -1.998 4.840 10.820 1.00 0.00 C ATOM 690 O ALA A 121 -2.396 5.348 11.851 1.00 0.00 O ATOM 691 CB ALA A 121 -1.936 6.223 8.721 1.00 0.00 C ATOM 0 H ALA A 121 -0.249 4.616 8.164 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.588 6.379 10.431 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.660 6.922 9.139 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.280 6.751 8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.463 5.431 8.189 1.00 0.00 H new ATOM 697 N THR A 122 -2.312 3.612 10.493 1.00 0.00 N ATOM 698 CA THR A 122 -3.178 2.789 11.391 1.00 0.00 C ATOM 699 C THR A 122 -2.522 1.431 11.692 1.00 0.00 C ATOM 700 O THR A 122 -3.133 0.568 12.292 1.00 0.00 O ATOM 701 CB THR A 122 -4.476 2.583 10.605 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.170 2.095 9.307 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.231 3.909 10.487 1.00 0.00 C ATOM 0 H THR A 122 -2.005 3.143 9.641 1.00 0.00 H new ATOM 0 HA THR A 122 -3.344 3.277 12.351 1.00 0.00 H new ATOM 0 HB THR A 122 -5.102 1.861 11.130 1.00 0.00 H new ATOM 0 HG1 THR A 122 -4.978 2.112 8.752 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.153 3.754 9.927 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.470 4.282 11.483 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.608 4.637 9.967 1.00 0.00 H new ATOM 711 N ARG A 123 -1.289 1.226 11.275 1.00 0.00 N ATOM 712 CA ARG A 123 -0.598 -0.087 11.520 1.00 0.00 C ATOM 713 C ARG A 123 -1.463 -1.245 11.015 1.00 0.00 C ATOM 714 O ARG A 123 -1.435 -2.334 11.555 1.00 0.00 O ATOM 715 CB ARG A 123 -0.412 -0.182 13.036 1.00 0.00 C ATOM 716 CG ARG A 123 0.634 0.843 13.494 1.00 0.00 C ATOM 717 CD ARG A 123 -0.068 2.062 14.107 1.00 0.00 C ATOM 718 NE ARG A 123 0.247 2.001 15.573 1.00 0.00 N ATOM 719 CZ ARG A 123 -0.076 2.987 16.386 1.00 0.00 C ATOM 720 NH1 ARG A 123 -0.732 4.041 15.960 1.00 0.00 N ATOM 721 NH2 ARG A 123 0.250 2.905 17.646 1.00 0.00 N ATOM 0 H ARG A 123 -0.730 1.916 10.773 1.00 0.00 H new ATOM 0 HA ARG A 123 0.355 -0.145 10.994 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.361 0.002 13.541 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.094 -1.188 13.311 1.00 0.00 H new ATOM 0 HG2 ARG A 123 1.304 0.391 14.226 1.00 0.00 H new ATOM 0 HG3 ARG A 123 1.248 1.152 12.648 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.295 2.990 13.664 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.143 2.026 13.933 1.00 0.00 H new ATOM 0 HE ARG A 123 0.721 1.179 15.948 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -1.004 4.111 14.979 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -0.970 4.791 16.610 1.00 0.00 H new ATOM 0 HH21 ARG A 123 0.749 2.085 17.991 1.00 0.00 H new ATOM 0 HH22 ARG A 123 0.006 3.661 18.286 1.00 0.00 H new ATOM 735 N LYS A 124 -2.216 -1.014 9.970 1.00 0.00 N ATOM 736 CA LYS A 124 -3.077 -2.100 9.408 1.00 0.00 C ATOM 737 C LYS A 124 -2.392 -2.689 8.181 1.00 0.00 C ATOM 738 O LYS A 124 -1.339 -2.234 7.799 1.00 0.00 O ATOM 739 CB LYS A 124 -4.385 -1.417 9.008 1.00 0.00 C ATOM 740 CG LYS A 124 -5.072 -0.837 10.245 1.00 0.00 C ATOM 741 CD LYS A 124 -6.473 -0.351 9.865 1.00 0.00 C ATOM 742 CE LYS A 124 -7.410 -0.487 11.067 1.00 0.00 C ATOM 743 NZ LYS A 124 -7.748 -1.935 11.131 1.00 0.00 N ATOM 0 H LYS A 124 -2.272 -0.121 9.481 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.251 -2.908 10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.185 -0.624 8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.044 -2.134 8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -5.137 -1.593 11.027 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.485 -0.011 10.648 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.432 0.688 9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.855 -0.933 9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -6.925 -0.154 11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -8.305 0.122 10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -8.767 -2.061 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -7.212 -2.449 10.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -7.501 -2.308 12.070 1.00 0.00 H new ATOM 757 N GLU A 125 -2.979 -3.677 7.552 1.00 0.00 N ATOM 758 CA GLU A 125 -2.335 -4.269 6.333 1.00 0.00 C ATOM 759 C GLU A 125 -3.363 -4.921 5.416 1.00 0.00 C ATOM 760 O GLU A 125 -4.259 -5.621 5.847 1.00 0.00 O ATOM 761 CB GLU A 125 -1.283 -5.306 6.798 1.00 0.00 C ATOM 762 CG GLU A 125 -1.663 -5.963 8.132 1.00 0.00 C ATOM 763 CD GLU A 125 -2.971 -6.739 7.979 1.00 0.00 C ATOM 764 OE1 GLU A 125 -3.019 -7.622 7.138 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.904 -6.437 8.705 1.00 0.00 O ATOM 0 H GLU A 125 -3.867 -4.098 7.824 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.857 -3.477 5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -1.173 -6.076 6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.314 -4.817 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.868 -6.635 8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.771 -5.201 8.904 1.00 0.00 H new ATOM 772 N GLY A 126 -3.216 -4.692 4.137 1.00 0.00 N ATOM 773 CA GLY A 126 -4.152 -5.283 3.147 1.00 0.00 C ATOM 774 C GLY A 126 -3.533 -5.181 1.752 1.00 0.00 C ATOM 775 O GLY A 126 -2.330 -5.228 1.602 1.00 0.00 O ATOM 0 H GLY A 126 -2.478 -4.114 3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.352 -6.325 3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -5.108 -4.760 3.174 1.00 0.00 H new ATOM 779 N TYR A 127 -4.346 -5.027 0.737 1.00 0.00 N ATOM 780 CA TYR A 127 -3.821 -4.925 -0.660 1.00 0.00 C ATOM 781 C TYR A 127 -3.633 -3.461 -1.064 1.00 0.00 C ATOM 782 O TYR A 127 -4.168 -2.562 -0.446 1.00 0.00 O ATOM 783 CB TYR A 127 -4.906 -5.549 -1.543 1.00 0.00 C ATOM 784 CG TYR A 127 -5.082 -7.012 -1.221 1.00 0.00 C ATOM 785 CD1 TYR A 127 -4.089 -7.938 -1.562 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.250 -7.444 -0.587 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.268 -9.295 -1.265 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.432 -8.796 -0.290 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.439 -9.724 -0.628 1.00 0.00 C ATOM 790 OH TYR A 127 -5.615 -11.062 -0.336 1.00 0.00 O ATOM 0 H TYR A 127 -5.361 -4.967 0.817 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.855 -5.421 -0.756 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.849 -5.023 -1.394 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.638 -5.433 -2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.186 -7.606 -2.053 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -7.016 -6.729 -0.325 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.503 -10.011 -1.527 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.337 -9.126 0.199 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.480 -11.189 0.107 1.00 0.00 H new ATOM 800 N ILE A 128 -2.893 -3.230 -2.117 1.00 0.00 N ATOM 801 CA ILE A 128 -2.670 -1.834 -2.605 1.00 0.00 C ATOM 802 C ILE A 128 -2.368 -1.860 -4.115 1.00 0.00 C ATOM 803 O ILE A 128 -1.285 -2.237 -4.516 1.00 0.00 O ATOM 804 CB ILE A 128 -1.477 -1.271 -1.811 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.311 -2.271 -1.774 1.00 0.00 C ATOM 806 CG2 ILE A 128 -1.928 -0.971 -0.382 1.00 0.00 C ATOM 807 CD1 ILE A 128 1.014 -1.505 -1.783 1.00 0.00 C ATOM 0 H ILE A 128 -2.429 -3.954 -2.665 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.550 -1.208 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.132 -0.361 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.379 -2.893 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.363 -2.940 -2.633 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.089 -0.572 0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -2.735 -0.239 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.282 -1.889 0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.843 -2.212 -1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 128 1.080 -0.902 -2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.064 -0.854 -0.910 1.00 0.00 H new ATOM 819 N PRO A 129 -3.341 -1.476 -4.925 1.00 0.00 N ATOM 820 CA PRO A 129 -3.145 -1.484 -6.404 1.00 0.00 C ATOM 821 C PRO A 129 -1.829 -0.803 -6.808 1.00 0.00 C ATOM 822 O PRO A 129 -1.702 0.405 -6.775 1.00 0.00 O ATOM 823 CB PRO A 129 -4.347 -0.709 -6.937 1.00 0.00 C ATOM 824 CG PRO A 129 -5.398 -0.843 -5.883 1.00 0.00 C ATOM 825 CD PRO A 129 -4.691 -1.009 -4.562 1.00 0.00 C ATOM 0 HA PRO A 129 -3.079 -2.495 -6.805 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.095 0.337 -7.111 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.689 -1.117 -7.888 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -6.040 0.038 -5.867 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.039 -1.701 -6.086 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.652 -0.069 -4.011 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.203 -1.730 -3.925 1.00 0.00 H new ATOM 833 N SER A 130 -0.862 -1.589 -7.198 1.00 0.00 N ATOM 834 CA SER A 130 0.461 -1.029 -7.622 1.00 0.00 C ATOM 835 C SER A 130 0.300 -0.070 -8.812 1.00 0.00 C ATOM 836 O SER A 130 1.186 0.708 -9.113 1.00 0.00 O ATOM 837 CB SER A 130 1.279 -2.246 -8.055 1.00 0.00 C ATOM 838 OG SER A 130 1.225 -3.234 -7.039 1.00 0.00 O ATOM 0 H SER A 130 -0.930 -2.606 -7.243 1.00 0.00 H new ATOM 0 HA SER A 130 0.931 -0.463 -6.818 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.887 -2.648 -8.990 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.313 -1.956 -8.241 1.00 0.00 H new ATOM 0 HG SER A 130 2.135 -3.514 -6.806 1.00 0.00 H new ATOM 844 N ASN A 131 -0.806 -0.148 -9.511 1.00 0.00 N ATOM 845 CA ASN A 131 -1.016 0.733 -10.707 1.00 0.00 C ATOM 846 C ASN A 131 -1.305 2.196 -10.321 1.00 0.00 C ATOM 847 O ASN A 131 -1.480 3.033 -11.186 1.00 0.00 O ATOM 848 CB ASN A 131 -2.223 0.131 -11.440 1.00 0.00 C ATOM 849 CG ASN A 131 -3.439 0.080 -10.505 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.664 0.987 -9.729 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.232 -0.956 -10.541 1.00 0.00 N ATOM 0 H ASN A 131 -1.576 -0.785 -9.306 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.117 0.765 -11.322 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.457 0.728 -12.321 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.982 -0.873 -11.790 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.039 -1.003 -9.918 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -4.045 -1.719 -11.192 1.00 0.00 H new ATOM 858 N TYR A 132 -1.364 2.515 -9.049 1.00 0.00 N ATOM 859 CA TYR A 132 -1.643 3.934 -8.644 1.00 0.00 C ATOM 860 C TYR A 132 -0.823 4.305 -7.402 1.00 0.00 C ATOM 861 O TYR A 132 -1.337 4.872 -6.455 1.00 0.00 O ATOM 862 CB TYR A 132 -3.139 3.974 -8.318 1.00 0.00 C ATOM 863 CG TYR A 132 -3.927 4.286 -9.569 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.626 5.426 -10.323 1.00 0.00 C ATOM 865 CD2 TYR A 132 -4.958 3.432 -9.976 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.356 5.710 -11.484 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.688 3.716 -11.135 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.386 4.855 -11.890 1.00 0.00 C ATOM 869 OH TYR A 132 -6.105 5.135 -13.034 1.00 0.00 O ATOM 0 H TYR A 132 -1.232 1.861 -8.278 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.375 4.640 -9.430 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.457 3.016 -7.907 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.335 4.729 -7.556 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.831 6.087 -10.010 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.191 2.552 -9.394 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.124 6.590 -12.066 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.484 3.057 -11.447 1.00 0.00 H new ATOM 0 HH TYR A 132 -6.782 4.440 -13.173 1.00 0.00 H new ATOM 879 N VAL A 133 0.444 3.985 -7.401 1.00 0.00 N ATOM 880 CA VAL A 133 1.299 4.307 -6.219 1.00 0.00 C ATOM 881 C VAL A 133 2.745 4.549 -6.651 1.00 0.00 C ATOM 882 O VAL A 133 3.124 4.288 -7.778 1.00 0.00 O ATOM 883 CB VAL A 133 1.192 3.073 -5.307 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.595 1.814 -6.076 1.00 0.00 C ATOM 885 CG2 VAL A 133 2.097 3.217 -4.082 1.00 0.00 C ATOM 0 H VAL A 133 0.925 3.514 -8.168 1.00 0.00 H new ATOM 0 HA VAL A 133 0.977 5.216 -5.710 1.00 0.00 H new ATOM 0 HB VAL A 133 0.157 2.991 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.516 0.946 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.934 1.684 -6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.623 1.913 -6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 133 2.003 2.331 -3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 133 3.132 3.324 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.802 4.099 -3.513 1.00 0.00 H new ATOM 895 N ALA A 134 3.547 5.039 -5.750 1.00 0.00 N ATOM 896 CA ALA A 134 4.984 5.303 -6.069 1.00 0.00 C ATOM 897 C ALA A 134 5.876 4.479 -5.134 1.00 0.00 C ATOM 898 O ALA A 134 5.772 4.569 -3.924 1.00 0.00 O ATOM 899 CB ALA A 134 5.180 6.803 -5.835 1.00 0.00 C ATOM 0 H ALA A 134 3.270 5.271 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 134 5.246 5.025 -7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.214 7.073 -6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.515 7.364 -6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.951 7.042 -4.797 1.00 0.00 H new ATOM 905 N ARG A 135 6.729 3.652 -5.688 1.00 0.00 N ATOM 906 CA ARG A 135 7.602 2.791 -4.841 1.00 0.00 C ATOM 907 C ARG A 135 8.880 3.505 -4.397 1.00 0.00 C ATOM 908 O ARG A 135 9.548 4.162 -5.170 1.00 0.00 O ATOM 909 CB ARG A 135 7.956 1.611 -5.734 1.00 0.00 C ATOM 910 CG ARG A 135 8.036 0.343 -4.889 1.00 0.00 C ATOM 911 CD ARG A 135 9.500 -0.013 -4.619 1.00 0.00 C ATOM 912 NE ARG A 135 9.957 -0.754 -5.840 1.00 0.00 N ATOM 913 CZ ARG A 135 11.233 -1.029 -6.038 1.00 0.00 C ATOM 914 NH1 ARG A 135 12.156 -0.666 -5.178 1.00 0.00 N ATOM 915 NH2 ARG A 135 11.586 -1.677 -7.115 1.00 0.00 N ATOM 0 H ARG A 135 6.856 3.538 -6.694 1.00 0.00 H new ATOM 0 HA ARG A 135 7.090 2.505 -3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 135 7.205 1.494 -6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.909 1.790 -6.232 1.00 0.00 H new ATOM 0 HG2 ARG A 135 7.509 0.490 -3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 135 7.542 -0.480 -5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 135 10.099 0.883 -4.455 1.00 0.00 H new ATOM 0 HD3 ARG A 135 9.597 -0.629 -3.725 1.00 0.00 H new ATOM 0 HE ARG A 135 9.268 -1.051 -6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 135 11.894 -0.159 -4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 135 13.135 -0.891 -5.355 1.00 0.00 H new ATOM 0 HH21 ARG A 135 10.879 -1.965 -7.792 1.00 0.00 H new ATOM 0 HH22 ARG A 135 12.569 -1.896 -7.280 1.00 0.00 H new