USER MOD reduce.3.24.130724 H: found=0, std=0, add=302, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 303 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 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot -117:sc= 1.4 USER MOD Single : A 97 SER OG : rot 47:sc= 0.803 USER MOD Single : A 98 TYR OH : rot 24:sc= 1.84 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0.471 K(o=0.47,f=-1.1) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -170:sc= 2.28 (180deg=1.61) USER MOD Single : A 122 MET CE :methyl 170:sc=-0.00577 (180deg=-0.203) USER MOD Single : A 125 GLN : amide:sc= -0.333 K(o=-0.33,f=-1.6!) USER MOD Single : A 127 LYS NZ :NH3+ -175:sc= -0.103 (180deg=-0.208) USER MOD Single : A 128 SER OG : rot 180:sc= -0.191 USER MOD ----------------------------------------------------------------- ATOM 68 N ALA A 94 1.389 -0.404 -1.018 1.00 0.00 N ATOM 69 CA ALA A 94 1.123 1.024 -1.037 1.00 0.00 C ATOM 70 C ALA A 94 1.707 1.634 -2.308 1.00 0.00 C ATOM 71 O ALA A 94 2.911 1.557 -2.533 1.00 0.00 O ATOM 72 CB ALA A 94 1.740 1.668 0.205 1.00 0.00 C ATOM 0 HA ALA A 94 0.048 1.204 -1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.543 2.740 0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.301 1.227 1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.817 1.497 0.207 1.00 0.00 H new ATOM 78 N LYS A 95 0.851 2.240 -3.138 1.00 0.00 N ATOM 79 CA LYS A 95 1.284 2.862 -4.382 1.00 0.00 C ATOM 80 C LYS A 95 1.921 4.219 -4.081 1.00 0.00 C ATOM 81 O LYS A 95 1.304 5.260 -4.303 1.00 0.00 O ATOM 82 CB LYS A 95 0.077 3.025 -5.315 1.00 0.00 C ATOM 83 CG LYS A 95 -0.431 1.647 -5.760 1.00 0.00 C ATOM 84 CD LYS A 95 -1.788 1.789 -6.463 1.00 0.00 C ATOM 85 CE LYS A 95 -1.634 2.607 -7.751 1.00 0.00 C ATOM 86 NZ LYS A 95 -2.884 2.604 -8.531 1.00 0.00 N ATOM 0 H LYS A 95 -0.152 2.310 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 95 2.025 2.232 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.718 3.567 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.357 3.617 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.290 1.185 -6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.527 0.989 -4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.190 0.803 -6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.501 2.275 -5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.358 3.632 -7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.824 2.195 -8.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.754 3.164 -9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.133 1.627 -8.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.649 3.019 -7.962 1.00 0.00 H new ATOM 100 N TYR A 96 3.157 4.203 -3.568 1.00 0.00 N ATOM 101 CA TYR A 96 3.868 5.425 -3.221 1.00 0.00 C ATOM 102 C TYR A 96 5.363 5.130 -3.132 1.00 0.00 C ATOM 103 O TYR A 96 5.748 4.003 -2.836 1.00 0.00 O ATOM 104 CB TYR A 96 3.313 5.952 -1.884 1.00 0.00 C ATOM 105 CG TYR A 96 3.119 7.459 -1.813 1.00 0.00 C ATOM 106 CD1 TYR A 96 2.668 8.191 -2.935 1.00 0.00 C ATOM 107 CD2 TYR A 96 3.362 8.126 -0.602 1.00 0.00 C ATOM 108 CE1 TYR A 96 2.481 9.575 -2.838 1.00 0.00 C ATOM 109 CE2 TYR A 96 3.166 9.511 -0.507 1.00 0.00 C ATOM 110 CZ TYR A 96 2.723 10.236 -1.622 1.00 0.00 C ATOM 111 OH TYR A 96 2.526 11.581 -1.523 1.00 0.00 O ATOM 0 H TYR A 96 3.683 3.348 -3.386 1.00 0.00 H new ATOM 0 HA TYR A 96 3.723 6.190 -3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 96 2.355 5.469 -1.691 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.989 5.651 -1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.468 7.683 -3.867 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.701 7.570 0.260 1.00 0.00 H new ATOM 0 HE1 TYR A 96 2.150 10.136 -3.700 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.357 10.020 0.426 1.00 0.00 H new ATOM 0 HH TYR A 96 3.378 12.023 -1.326 1.00 0.00 H new ATOM 121 N SER A 97 6.206 6.140 -3.404 1.00 0.00 N ATOM 122 CA SER A 97 7.654 5.963 -3.412 1.00 0.00 C ATOM 123 C SER A 97 8.333 7.079 -2.618 1.00 0.00 C ATOM 124 O SER A 97 7.670 8.007 -2.154 1.00 0.00 O ATOM 125 CB SER A 97 8.127 5.966 -4.864 1.00 0.00 C ATOM 126 OG SER A 97 9.481 5.565 -4.933 1.00 0.00 O ATOM 0 H SER A 97 5.900 7.089 -3.621 1.00 0.00 H new ATOM 0 HA SER A 97 7.919 5.017 -2.940 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.509 5.292 -5.458 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.012 6.963 -5.290 1.00 0.00 H new ATOM 0 HG SER A 97 9.613 4.764 -4.384 1.00 0.00 H new ATOM 132 N TYR A 98 9.662 6.978 -2.465 1.00 0.00 N ATOM 133 CA TYR A 98 10.453 7.972 -1.750 1.00 0.00 C ATOM 134 C TYR A 98 11.944 7.718 -2.016 1.00 0.00 C ATOM 135 O TYR A 98 12.707 7.403 -1.107 1.00 0.00 O ATOM 136 CB TYR A 98 10.122 7.942 -0.240 1.00 0.00 C ATOM 137 CG TYR A 98 10.662 6.737 0.517 1.00 0.00 C ATOM 138 CD1 TYR A 98 10.242 5.433 0.192 1.00 0.00 C ATOM 139 CD2 TYR A 98 11.590 6.932 1.556 1.00 0.00 C ATOM 140 CE1 TYR A 98 10.753 4.334 0.904 1.00 0.00 C ATOM 141 CE2 TYR A 98 12.098 5.835 2.264 1.00 0.00 C ATOM 142 CZ TYR A 98 11.682 4.538 1.941 1.00 0.00 C ATOM 143 OH TYR A 98 12.181 3.476 2.633 1.00 0.00 O ATOM 0 H TYR A 98 10.212 6.203 -2.836 1.00 0.00 H new ATOM 0 HA TYR A 98 10.206 8.971 -2.111 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.517 8.847 0.221 1.00 0.00 H new ATOM 0 HB3 TYR A 98 9.039 7.970 -0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.528 5.277 -0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.912 7.931 1.809 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.433 3.333 0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.811 5.990 3.060 1.00 0.00 H new ATOM 0 HH TYR A 98 12.118 2.668 2.082 1.00 0.00 H new ATOM 153 N VAL A 99 12.352 7.854 -3.283 1.00 0.00 N ATOM 154 CA VAL A 99 13.735 7.626 -3.684 1.00 0.00 C ATOM 155 C VAL A 99 14.678 8.462 -2.816 1.00 0.00 C ATOM 156 O VAL A 99 14.516 9.678 -2.715 1.00 0.00 O ATOM 157 CB VAL A 99 13.899 7.980 -5.169 1.00 0.00 C ATOM 158 CG1 VAL A 99 15.376 7.882 -5.567 1.00 0.00 C ATOM 159 CG2 VAL A 99 13.078 7.009 -6.023 1.00 0.00 C ATOM 0 H VAL A 99 11.735 8.123 -4.049 1.00 0.00 H new ATOM 0 HA VAL A 99 13.989 6.575 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 99 13.547 8.998 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.486 8.134 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 99 15.962 8.576 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.732 6.866 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.196 7.262 -7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.427 5.990 -5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.026 7.082 -5.748 1.00 0.00 H new ATOM 169 N ASP A 100 15.661 7.798 -2.194 1.00 0.00 N ATOM 170 CA ASP A 100 16.633 8.459 -1.337 1.00 0.00 C ATOM 171 C ASP A 100 17.880 7.589 -1.223 1.00 0.00 C ATOM 172 O ASP A 100 17.778 6.366 -1.104 1.00 0.00 O ATOM 173 CB ASP A 100 16.011 8.698 0.044 1.00 0.00 C ATOM 174 CG ASP A 100 17.063 9.128 1.065 1.00 0.00 C ATOM 175 OD1 ASP A 100 17.918 9.957 0.692 1.00 0.00 O ATOM 176 OD2 ASP A 100 16.993 8.617 2.202 1.00 0.00 O ATOM 0 H ASP A 100 15.798 6.791 -2.275 1.00 0.00 H new ATOM 0 HA ASP A 100 16.916 9.421 -1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 100 15.240 9.465 -0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 100 15.521 7.786 0.386 1.00 0.00 H new ATOM 181 N GLU A 101 19.056 8.224 -1.255 1.00 0.00 N ATOM 182 CA GLU A 101 20.323 7.521 -1.145 1.00 0.00 C ATOM 183 C GLU A 101 20.392 6.801 0.200 1.00 0.00 C ATOM 184 O GLU A 101 20.902 5.685 0.281 1.00 0.00 O ATOM 185 CB GLU A 101 21.480 8.522 -1.280 1.00 0.00 C ATOM 186 CG GLU A 101 21.689 8.900 -2.755 1.00 0.00 C ATOM 187 CD GLU A 101 20.484 9.645 -3.324 1.00 0.00 C ATOM 188 OE1 GLU A 101 19.973 10.534 -2.608 1.00 0.00 O ATOM 189 OE2 GLU A 101 20.096 9.310 -4.464 1.00 0.00 O ATOM 0 H GLU A 101 19.149 9.235 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 101 20.405 6.782 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 101 21.266 9.417 -0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 101 22.394 8.088 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.579 9.523 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 101 21.868 7.998 -3.340 1.00 0.00 H new ATOM 196 N ASN A 102 19.869 7.443 1.255 1.00 0.00 N ATOM 197 CA ASN A 102 19.858 6.862 2.592 1.00 0.00 C ATOM 198 C ASN A 102 18.515 6.169 2.850 1.00 0.00 C ATOM 199 O ASN A 102 18.074 6.074 3.997 1.00 0.00 O ATOM 200 CB ASN A 102 20.113 7.966 3.625 1.00 0.00 C ATOM 201 CG ASN A 102 21.439 8.674 3.361 1.00 0.00 C ATOM 202 OD1 ASN A 102 21.467 9.880 3.137 1.00 0.00 O ATOM 203 ND2 ASN A 102 22.540 7.922 3.392 1.00 0.00 N ATOM 0 H ASN A 102 19.447 8.370 1.200 1.00 0.00 H new ATOM 0 HA ASN A 102 20.646 6.114 2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 102 19.299 8.690 3.595 1.00 0.00 H new ATOM 0 HB3 ASN A 102 20.121 7.536 4.626 1.00 0.00 H new ATOM 0 HD21 ASN A 102 23.452 8.347 3.225 1.00 0.00 H new ATOM 0 HD22 ASN A 102 22.470 6.922 3.582 1.00 0.00 H new ATOM 210 N GLY A 103 17.872 5.685 1.778 1.00 0.00 N ATOM 211 CA GLY A 103 16.600 4.990 1.872 1.00 0.00 C ATOM 212 C GLY A 103 16.599 3.827 0.890 1.00 0.00 C ATOM 213 O GLY A 103 17.431 2.926 1.000 1.00 0.00 O ATOM 0 H GLY A 103 18.227 5.769 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 103 16.444 4.626 2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 103 15.780 5.673 1.648 1.00 0.00 H new ATOM 217 N GLU A 104 15.672 3.846 -0.075 1.00 0.00 N ATOM 218 CA GLU A 104 15.590 2.804 -1.085 1.00 0.00 C ATOM 219 C GLU A 104 14.896 3.348 -2.331 1.00 0.00 C ATOM 220 O GLU A 104 13.900 4.067 -2.231 1.00 0.00 O ATOM 221 CB GLU A 104 14.849 1.577 -0.520 1.00 0.00 C ATOM 222 CG GLU A 104 13.378 1.911 -0.233 1.00 0.00 C ATOM 223 CD GLU A 104 12.713 0.802 0.580 1.00 0.00 C ATOM 224 OE1 GLU A 104 13.120 -0.366 0.395 1.00 0.00 O ATOM 225 OE2 GLU A 104 11.808 1.145 1.376 1.00 0.00 O ATOM 0 H GLU A 104 14.969 4.578 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 104 16.595 2.488 -1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.907 0.753 -1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.336 1.243 0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.315 2.853 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 104 12.843 2.049 -1.172 1.00 0.00 H new ATOM 232 N THR A 105 15.425 3.000 -3.509 1.00 0.00 N ATOM 233 CA THR A 105 14.852 3.425 -4.776 1.00 0.00 C ATOM 234 C THR A 105 13.709 2.473 -5.139 1.00 0.00 C ATOM 235 O THR A 105 13.733 1.833 -6.193 1.00 0.00 O ATOM 236 CB THR A 105 15.955 3.418 -5.849 1.00 0.00 C ATOM 237 OG1 THR A 105 17.124 4.009 -5.322 1.00 0.00 O ATOM 238 CG2 THR A 105 15.503 4.211 -7.079 1.00 0.00 C ATOM 0 H THR A 105 16.258 2.419 -3.603 1.00 0.00 H new ATOM 0 HA THR A 105 14.451 4.436 -4.707 1.00 0.00 H new ATOM 0 HB THR A 105 16.156 2.388 -6.142 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.829 4.004 -6.003 1.00 0.00 H new ATOM 0 HG21 THR A 105 16.292 4.198 -7.830 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.601 3.759 -7.492 1.00 0.00 H new ATOM 0 HG23 THR A 105 15.293 5.241 -6.791 1.00 0.00 H new ATOM 246 N LYS A 106 12.713 2.371 -4.250 1.00 0.00 N ATOM 247 CA LYS A 106 11.600 1.455 -4.436 1.00 0.00 C ATOM 248 C LYS A 106 10.315 2.058 -3.864 1.00 0.00 C ATOM 249 O LYS A 106 10.274 3.236 -3.506 1.00 0.00 O ATOM 250 CB LYS A 106 11.942 0.131 -3.728 1.00 0.00 C ATOM 251 CG LYS A 106 11.557 -1.061 -4.610 1.00 0.00 C ATOM 252 CD LYS A 106 11.742 -2.356 -3.814 1.00 0.00 C ATOM 253 CE LYS A 106 11.334 -3.555 -4.674 1.00 0.00 C ATOM 254 NZ LYS A 106 11.489 -4.816 -3.927 1.00 0.00 N ATOM 0 H LYS A 106 12.663 2.919 -3.391 1.00 0.00 H new ATOM 0 HA LYS A 106 11.436 1.273 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 106 13.008 0.096 -3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.414 0.073 -2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 106 10.522 -0.967 -4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.176 -1.080 -5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.782 -2.457 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.139 -2.325 -2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 106 10.298 -3.442 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.945 -3.585 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.206 -5.614 -4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 12.483 -4.931 -3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.887 -4.793 -3.079 1.00 0.00 H new ATOM 268 N THR A 107 9.269 1.231 -3.784 1.00 0.00 N ATOM 269 CA THR A 107 7.981 1.631 -3.249 1.00 0.00 C ATOM 270 C THR A 107 8.068 1.700 -1.718 1.00 0.00 C ATOM 271 O THR A 107 9.097 1.347 -1.143 1.00 0.00 O ATOM 272 CB THR A 107 6.931 0.591 -3.694 1.00 0.00 C ATOM 273 OG1 THR A 107 7.426 -0.147 -4.797 1.00 0.00 O ATOM 274 CG2 THR A 107 5.637 1.287 -4.103 1.00 0.00 C ATOM 0 H THR A 107 9.301 0.259 -4.093 1.00 0.00 H new ATOM 0 HA THR A 107 7.694 2.615 -3.619 1.00 0.00 H new ATOM 0 HB THR A 107 6.731 -0.080 -2.859 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.757 -0.807 -5.075 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.906 0.541 -4.415 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.243 1.850 -3.257 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.836 1.968 -4.931 1.00 0.00 H new ATOM 282 N TRP A 108 6.987 2.146 -1.057 1.00 0.00 N ATOM 283 CA TRP A 108 6.944 2.208 0.403 1.00 0.00 C ATOM 284 C TRP A 108 6.803 0.787 0.958 1.00 0.00 C ATOM 285 O TRP A 108 5.734 0.402 1.432 1.00 0.00 O ATOM 286 CB TRP A 108 5.769 3.089 0.859 1.00 0.00 C ATOM 287 CG TRP A 108 6.015 4.569 0.814 1.00 0.00 C ATOM 288 CD1 TRP A 108 6.743 5.219 -0.106 1.00 0.00 C ATOM 289 CD2 TRP A 108 5.530 5.609 1.721 1.00 0.00 C ATOM 290 NE1 TRP A 108 6.750 6.572 0.132 1.00 0.00 N ATOM 291 CE2 TRP A 108 6.015 6.874 1.260 1.00 0.00 C ATOM 292 CE3 TRP A 108 4.726 5.621 2.885 1.00 0.00 C ATOM 293 CZ2 TRP A 108 5.718 8.075 1.911 1.00 0.00 C ATOM 294 CZ3 TRP A 108 4.426 6.832 3.547 1.00 0.00 C ATOM 295 CH2 TRP A 108 4.921 8.054 3.060 1.00 0.00 C ATOM 0 H TRP A 108 6.134 2.468 -1.515 1.00 0.00 H new ATOM 0 HA TRP A 108 7.865 2.650 0.782 1.00 0.00 H new ATOM 0 HB2 TRP A 108 4.905 2.863 0.235 1.00 0.00 H new ATOM 0 HB3 TRP A 108 5.506 2.813 1.880 1.00 0.00 H new ATOM 0 HD1 TRP A 108 7.257 4.741 -0.927 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.233 7.260 -0.446 1.00 0.00 H new ATOM 0 HE3 TRP A 108 4.336 4.691 3.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 6.101 9.010 1.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.811 6.819 4.435 1.00 0.00 H new ATOM 0 HH2 TRP A 108 4.686 8.975 3.572 1.00 0.00 H new ATOM 306 N THR A 109 7.888 0.010 0.891 1.00 0.00 N ATOM 307 CA THR A 109 7.903 -1.363 1.371 1.00 0.00 C ATOM 308 C THR A 109 9.351 -1.830 1.489 1.00 0.00 C ATOM 309 O THR A 109 10.243 -1.231 0.897 1.00 0.00 O ATOM 310 CB THR A 109 7.106 -2.259 0.406 1.00 0.00 C ATOM 311 OG1 THR A 109 6.984 -3.553 0.957 1.00 0.00 O ATOM 312 CG2 THR A 109 7.820 -2.349 -0.948 1.00 0.00 C ATOM 0 H THR A 109 8.778 0.321 0.501 1.00 0.00 H new ATOM 0 HA THR A 109 7.433 -1.425 2.353 1.00 0.00 H new ATOM 0 HB THR A 109 6.117 -1.825 0.258 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.475 -4.123 0.344 1.00 0.00 H new ATOM 0 HG21 THR A 109 7.245 -2.986 -1.621 1.00 0.00 H new ATOM 0 HG22 THR A 109 7.909 -1.352 -1.380 1.00 0.00 H new ATOM 0 HG23 THR A 109 8.814 -2.773 -0.808 1.00 0.00 H new ATOM 320 N GLY A 110 9.581 -2.899 2.254 1.00 0.00 N ATOM 321 CA GLY A 110 10.919 -3.428 2.456 1.00 0.00 C ATOM 322 C GLY A 110 11.600 -2.674 3.592 1.00 0.00 C ATOM 323 O GLY A 110 11.608 -3.145 4.728 1.00 0.00 O ATOM 0 H GLY A 110 8.849 -3.414 2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 110 10.869 -4.491 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.502 -3.330 1.540 1.00 0.00 H new ATOM 327 N GLN A 111 12.167 -1.498 3.287 1.00 0.00 N ATOM 328 CA GLN A 111 12.830 -0.682 4.294 1.00 0.00 C ATOM 329 C GLN A 111 11.803 0.238 4.951 1.00 0.00 C ATOM 330 O GLN A 111 11.633 0.205 6.167 1.00 0.00 O ATOM 331 CB GLN A 111 13.960 0.125 3.642 1.00 0.00 C ATOM 332 CG GLN A 111 14.944 0.602 4.713 1.00 0.00 C ATOM 333 CD GLN A 111 15.984 1.545 4.116 1.00 0.00 C ATOM 334 OE1 GLN A 111 16.228 2.622 4.653 1.00 0.00 O ATOM 335 NE2 GLN A 111 16.595 1.140 3.003 1.00 0.00 N ATOM 0 H GLN A 111 12.176 -1.097 2.349 1.00 0.00 H new ATOM 0 HA GLN A 111 13.268 -1.318 5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.479 -0.489 2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.547 0.981 3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 111 14.402 1.110 5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.442 -0.257 5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.360 0.237 2.592 1.00 0.00 H new ATOM 0 HE22 GLN A 111 17.298 1.733 2.562 1.00 0.00 H new ATOM 344 N GLY A 112 11.118 1.055 4.136 1.00 0.00 N ATOM 345 CA GLY A 112 10.102 1.978 4.625 1.00 0.00 C ATOM 346 C GLY A 112 10.654 2.834 5.765 1.00 0.00 C ATOM 347 O GLY A 112 10.126 2.806 6.874 1.00 0.00 O ATOM 0 H GLY A 112 11.257 1.089 3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 112 9.765 2.620 3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.232 1.419 4.971 1.00 0.00 H new ATOM 351 N ARG A 113 11.720 3.593 5.487 1.00 0.00 N ATOM 352 CA ARG A 113 12.345 4.441 6.490 1.00 0.00 C ATOM 353 C ARG A 113 11.444 5.640 6.793 1.00 0.00 C ATOM 354 O ARG A 113 11.187 6.463 5.916 1.00 0.00 O ATOM 355 CB ARG A 113 13.715 4.897 5.981 1.00 0.00 C ATOM 356 CG ARG A 113 14.448 5.670 7.080 1.00 0.00 C ATOM 357 CD ARG A 113 15.839 6.070 6.585 1.00 0.00 C ATOM 358 NE ARG A 113 16.473 7.008 7.523 1.00 0.00 N ATOM 359 CZ ARG A 113 17.334 7.971 7.143 1.00 0.00 C ATOM 360 NH1 ARG A 113 17.772 8.034 5.879 1.00 0.00 N ATOM 361 NH2 ARG A 113 17.755 8.875 8.037 1.00 0.00 N ATOM 0 H ARG A 113 12.164 3.632 4.570 1.00 0.00 H new ATOM 0 HA ARG A 113 12.484 3.881 7.415 1.00 0.00 H new ATOM 0 HB2 ARG A 113 14.306 4.033 5.676 1.00 0.00 H new ATOM 0 HB3 ARG A 113 13.594 5.527 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 113 13.879 6.558 7.355 1.00 0.00 H new ATOM 0 HG3 ARG A 113 14.533 5.056 7.976 1.00 0.00 H new ATOM 0 HD2 ARG A 113 16.461 5.182 6.475 1.00 0.00 H new ATOM 0 HD3 ARG A 113 15.762 6.529 5.600 1.00 0.00 H new ATOM 0 HE ARG A 113 16.249 6.925 8.515 1.00 0.00 H new ATOM 0 HH11 ARG A 113 17.453 7.349 5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 113 18.424 8.767 5.601 1.00 0.00 H new ATOM 0 HH21 ARG A 113 17.423 8.832 9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 113 18.407 9.606 7.754 1.00 0.00 H new ATOM 375 N THR A 114 10.970 5.728 8.044 1.00 0.00 N ATOM 376 CA THR A 114 10.101 6.812 8.492 1.00 0.00 C ATOM 377 C THR A 114 10.436 7.150 9.948 1.00 0.00 C ATOM 378 O THR A 114 10.979 6.305 10.659 1.00 0.00 O ATOM 379 CB THR A 114 8.631 6.369 8.373 1.00 0.00 C ATOM 380 OG1 THR A 114 8.527 4.985 8.634 1.00 0.00 O ATOM 381 CG2 THR A 114 8.108 6.664 6.969 1.00 0.00 C ATOM 0 H THR A 114 11.182 5.045 8.771 1.00 0.00 H new ATOM 0 HA THR A 114 10.255 7.696 7.873 1.00 0.00 H new ATOM 0 HB THR A 114 8.035 6.921 9.100 1.00 0.00 H new ATOM 0 HG1 THR A 114 7.590 4.707 8.559 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.068 6.347 6.894 1.00 0.00 H new ATOM 0 HG22 THR A 114 8.177 7.734 6.773 1.00 0.00 H new ATOM 0 HG23 THR A 114 8.706 6.122 6.237 1.00 0.00 H new ATOM 389 N PRO A 115 10.111 8.379 10.413 1.00 0.00 N ATOM 390 CA PRO A 115 9.490 9.428 9.617 1.00 0.00 C ATOM 391 C PRO A 115 10.528 10.154 8.748 1.00 0.00 C ATOM 392 O PRO A 115 10.163 10.972 7.903 1.00 0.00 O ATOM 393 CB PRO A 115 8.890 10.391 10.644 1.00 0.00 C ATOM 394 CG PRO A 115 9.585 10.087 11.979 1.00 0.00 C ATOM 395 CD PRO A 115 10.345 8.772 11.785 1.00 0.00 C ATOM 0 HA PRO A 115 8.743 9.027 8.931 1.00 0.00 H new ATOM 0 HB2 PRO A 115 9.054 11.427 10.348 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.812 10.250 10.726 1.00 0.00 H new ATOM 0 HG2 PRO A 115 10.267 10.892 12.253 1.00 0.00 H new ATOM 0 HG3 PRO A 115 8.856 9.998 12.784 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.410 8.904 11.978 1.00 0.00 H new ATOM 0 HD3 PRO A 115 9.988 8.009 12.476 1.00 0.00 H new ATOM 403 N ALA A 116 11.820 9.860 8.966 1.00 0.00 N ATOM 404 CA ALA A 116 12.902 10.498 8.229 1.00 0.00 C ATOM 405 C ALA A 116 12.749 10.257 6.726 1.00 0.00 C ATOM 406 O ALA A 116 12.047 9.340 6.312 1.00 0.00 O ATOM 407 CB ALA A 116 14.238 9.945 8.726 1.00 0.00 C ATOM 0 H ALA A 116 12.134 9.177 9.655 1.00 0.00 H new ATOM 0 HA ALA A 116 12.867 11.574 8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 116 15.054 10.418 8.179 1.00 0.00 H new ATOM 0 HB2 ALA A 116 14.345 10.155 9.790 1.00 0.00 H new ATOM 0 HB3 ALA A 116 14.269 8.868 8.564 1.00 0.00 H new ATOM 413 N VAL A 117 13.426 11.102 5.927 1.00 0.00 N ATOM 414 CA VAL A 117 13.413 11.034 4.462 1.00 0.00 C ATOM 415 C VAL A 117 12.078 11.532 3.905 1.00 0.00 C ATOM 416 O VAL A 117 12.063 12.465 3.115 1.00 0.00 O ATOM 417 CB VAL A 117 13.726 9.612 3.960 1.00 0.00 C ATOM 418 CG1 VAL A 117 13.894 9.643 2.439 1.00 0.00 C ATOM 419 CG2 VAL A 117 15.025 9.107 4.593 1.00 0.00 C ATOM 0 H VAL A 117 14.004 11.860 6.290 1.00 0.00 H new ATOM 0 HA VAL A 117 14.201 11.691 4.094 1.00 0.00 H new ATOM 0 HB VAL A 117 12.908 8.947 4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 117 14.116 8.639 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 117 12.973 10.000 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 117 14.713 10.312 2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 117 15.238 8.101 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.845 9.772 4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 117 14.918 9.089 5.678 1.00 0.00 H new ATOM 429 N ILE A 118 10.962 10.911 4.311 1.00 0.00 N ATOM 430 CA ILE A 118 9.638 11.293 3.826 1.00 0.00 C ATOM 431 C ILE A 118 9.419 12.796 4.004 1.00 0.00 C ATOM 432 O ILE A 118 9.058 13.486 3.053 1.00 0.00 O ATOM 433 CB ILE A 118 8.563 10.495 4.589 1.00 0.00 C ATOM 434 CG1 ILE A 118 8.760 8.977 4.395 1.00 0.00 C ATOM 435 CG2 ILE A 118 7.166 10.901 4.100 1.00 0.00 C ATOM 436 CD1 ILE A 118 9.022 8.630 2.927 1.00 0.00 C ATOM 0 H ILE A 118 10.955 10.139 4.977 1.00 0.00 H new ATOM 0 HA ILE A 118 9.564 11.064 2.763 1.00 0.00 H new ATOM 0 HB ILE A 118 8.659 10.723 5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.596 8.636 5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 118 7.874 8.446 4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 118 6.411 10.333 4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.015 11.966 4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.079 10.693 3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 118 9.156 7.553 2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.174 8.948 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.923 9.141 2.587 1.00 0.00 H new ATOM 448 N LYS A 119 9.634 13.300 5.224 1.00 0.00 N ATOM 449 CA LYS A 119 9.441 14.714 5.523 1.00 0.00 C ATOM 450 C LYS A 119 10.337 15.582 4.636 1.00 0.00 C ATOM 451 O LYS A 119 9.919 16.650 4.192 1.00 0.00 O ATOM 452 CB LYS A 119 9.745 14.966 7.004 1.00 0.00 C ATOM 453 CG LYS A 119 8.673 14.297 7.874 1.00 0.00 C ATOM 454 CD LYS A 119 9.024 14.453 9.359 1.00 0.00 C ATOM 455 CE LYS A 119 8.897 15.922 9.781 1.00 0.00 C ATOM 456 NZ LYS A 119 8.985 16.062 11.246 1.00 0.00 N ATOM 0 H LYS A 119 9.943 12.743 6.020 1.00 0.00 H new ATOM 0 HA LYS A 119 8.405 14.983 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.729 14.571 7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.771 16.037 7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 119 7.700 14.745 7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.596 13.240 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 119 8.361 13.835 9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.040 14.102 9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.685 16.509 9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.946 16.324 9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.896 17.065 11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 8.218 15.520 11.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.903 15.700 11.575 1.00 0.00 H new ATOM 470 N LYS A 120 11.568 15.128 4.380 1.00 0.00 N ATOM 471 CA LYS A 120 12.507 15.874 3.557 1.00 0.00 C ATOM 472 C LYS A 120 12.028 15.883 2.102 1.00 0.00 C ATOM 473 O LYS A 120 12.107 16.914 1.432 1.00 0.00 O ATOM 474 CB LYS A 120 13.907 15.244 3.681 1.00 0.00 C ATOM 475 CG LYS A 120 14.997 16.329 3.600 1.00 0.00 C ATOM 476 CD LYS A 120 15.296 16.686 2.133 1.00 0.00 C ATOM 477 CE LYS A 120 15.322 18.210 1.952 1.00 0.00 C ATOM 478 NZ LYS A 120 13.970 18.786 2.077 1.00 0.00 N ATOM 0 H LYS A 120 11.932 14.244 4.735 1.00 0.00 H new ATOM 0 HA LYS A 120 12.563 16.907 3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 120 13.989 14.708 4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 120 14.054 14.512 2.887 1.00 0.00 H new ATOM 0 HG2 LYS A 120 14.672 17.220 4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 120 15.906 15.976 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 120 16.255 16.261 1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 120 14.538 16.248 1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 120 15.980 18.656 2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 120 15.736 18.456 0.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.989 19.784 1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 13.311 18.260 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.655 18.721 3.066 1.00 0.00 H new ATOM 492 N ALA A 121 11.530 14.733 1.622 1.00 0.00 N ATOM 493 CA ALA A 121 11.056 14.587 0.251 1.00 0.00 C ATOM 494 C ALA A 121 9.663 15.198 0.092 1.00 0.00 C ATOM 495 O ALA A 121 8.775 14.582 -0.484 1.00 0.00 O ATOM 496 CB ALA A 121 11.044 13.100 -0.115 1.00 0.00 C ATOM 0 H ALA A 121 11.448 13.883 2.179 1.00 0.00 H new ATOM 0 HA ALA A 121 11.726 15.119 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 121 10.691 12.980 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.053 12.696 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 121 10.380 12.564 0.563 1.00 0.00 H new ATOM 502 N MET A 122 9.487 16.418 0.599 1.00 0.00 N ATOM 503 CA MET A 122 8.234 17.146 0.499 1.00 0.00 C ATOM 504 C MET A 122 8.560 18.629 0.379 1.00 0.00 C ATOM 505 O MET A 122 8.039 19.319 -0.497 1.00 0.00 O ATOM 506 CB MET A 122 7.378 16.865 1.737 1.00 0.00 C ATOM 507 CG MET A 122 5.993 17.496 1.566 1.00 0.00 C ATOM 508 SD MET A 122 4.787 16.974 2.814 1.00 0.00 S ATOM 509 CE MET A 122 5.609 17.600 4.301 1.00 0.00 C ATOM 0 H MET A 122 10.219 16.928 1.093 1.00 0.00 H new ATOM 0 HA MET A 122 7.667 16.829 -0.376 1.00 0.00 H new ATOM 0 HB2 MET A 122 7.282 15.790 1.887 1.00 0.00 H new ATOM 0 HB3 MET A 122 7.864 17.268 2.625 1.00 0.00 H new ATOM 0 HG2 MET A 122 6.092 18.581 1.603 1.00 0.00 H new ATOM 0 HG3 MET A 122 5.610 17.244 0.577 1.00 0.00 H new ATOM 0 HE1 MET A 122 4.929 17.528 5.150 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.502 17.008 4.500 1.00 0.00 H new ATOM 0 HE3 MET A 122 5.891 18.642 4.150 1.00 0.00 H new ATOM 519 N ASP A 123 9.443 19.103 1.266 1.00 0.00 N ATOM 520 CA ASP A 123 9.900 20.480 1.265 1.00 0.00 C ATOM 521 C ASP A 123 10.622 20.779 -0.051 1.00 0.00 C ATOM 522 O ASP A 123 10.328 21.774 -0.710 1.00 0.00 O ATOM 523 CB ASP A 123 10.830 20.685 2.473 1.00 0.00 C ATOM 524 CG ASP A 123 11.905 21.729 2.187 1.00 0.00 C ATOM 525 OD1 ASP A 123 11.557 22.926 2.216 1.00 0.00 O ATOM 526 OD2 ASP A 123 13.059 21.300 1.946 1.00 0.00 O ATOM 0 H ASP A 123 9.857 18.533 2.004 1.00 0.00 H new ATOM 0 HA ASP A 123 9.057 21.167 1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 123 10.242 20.996 3.336 1.00 0.00 H new ATOM 0 HB3 ASP A 123 11.303 19.738 2.733 1.00 0.00 H new ATOM 531 N GLU A 124 11.570 19.910 -0.428 1.00 0.00 N ATOM 532 CA GLU A 124 12.343 20.094 -1.649 1.00 0.00 C ATOM 533 C GLU A 124 11.476 19.828 -2.883 1.00 0.00 C ATOM 534 O GLU A 124 11.733 20.393 -3.944 1.00 0.00 O ATOM 535 CB GLU A 124 13.576 19.181 -1.624 1.00 0.00 C ATOM 536 CG GLU A 124 13.164 17.703 -1.681 1.00 0.00 C ATOM 537 CD GLU A 124 14.337 16.798 -1.315 1.00 0.00 C ATOM 538 OE1 GLU A 124 15.481 17.301 -1.353 1.00 0.00 O ATOM 539 OE2 GLU A 124 14.068 15.622 -1.000 1.00 0.00 O ATOM 0 H GLU A 124 11.815 19.073 0.101 1.00 0.00 H new ATOM 0 HA GLU A 124 12.682 21.128 -1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 124 14.224 19.415 -2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.153 19.367 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 124 12.335 17.526 -0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.809 17.458 -2.682 1.00 0.00 H new ATOM 546 N GLN A 125 10.448 18.974 -2.747 1.00 0.00 N ATOM 547 CA GLN A 125 9.554 18.676 -3.855 1.00 0.00 C ATOM 548 C GLN A 125 8.753 19.929 -4.199 1.00 0.00 C ATOM 549 O GLN A 125 9.031 20.584 -5.202 1.00 0.00 O ATOM 550 CB GLN A 125 8.625 17.513 -3.482 1.00 0.00 C ATOM 551 CG GLN A 125 9.420 16.200 -3.460 1.00 0.00 C ATOM 552 CD GLN A 125 8.495 14.983 -3.514 1.00 0.00 C ATOM 553 OE1 GLN A 125 8.865 13.949 -4.061 1.00 0.00 O ATOM 554 NE2 GLN A 125 7.293 15.103 -2.946 1.00 0.00 N ATOM 0 H GLN A 125 10.224 18.485 -1.881 1.00 0.00 H new ATOM 0 HA GLN A 125 10.132 18.376 -4.729 1.00 0.00 H new ATOM 0 HB2 GLN A 125 8.175 17.693 -2.505 1.00 0.00 H new ATOM 0 HB3 GLN A 125 7.809 17.443 -4.201 1.00 0.00 H new ATOM 0 HG2 GLN A 125 10.106 16.175 -4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 125 10.028 16.157 -2.556 1.00 0.00 H new ATOM 0 HE21 GLN A 125 7.024 15.981 -2.501 1.00 0.00 H new ATOM 0 HE22 GLN A 125 6.643 14.317 -2.957 1.00 0.00 H new ATOM 563 N GLY A 126 7.758 20.264 -3.364 1.00 0.00 N ATOM 564 CA GLY A 126 6.939 21.455 -3.563 1.00 0.00 C ATOM 565 C GLY A 126 5.919 21.270 -4.694 1.00 0.00 C ATOM 566 O GLY A 126 4.781 21.715 -4.566 1.00 0.00 O ATOM 0 H GLY A 126 7.505 19.718 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 126 6.415 21.693 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.583 22.304 -3.792 1.00 0.00 H new ATOM 570 N LYS A 127 6.334 20.629 -5.801 1.00 0.00 N ATOM 571 CA LYS A 127 5.482 20.425 -6.969 1.00 0.00 C ATOM 572 C LYS A 127 4.088 19.943 -6.561 1.00 0.00 C ATOM 573 O LYS A 127 3.104 20.647 -6.785 1.00 0.00 O ATOM 574 CB LYS A 127 6.149 19.418 -7.918 1.00 0.00 C ATOM 575 CG LYS A 127 7.553 19.910 -8.302 1.00 0.00 C ATOM 576 CD LYS A 127 7.933 19.399 -9.700 1.00 0.00 C ATOM 577 CE LYS A 127 7.953 17.864 -9.733 1.00 0.00 C ATOM 578 NZ LYS A 127 9.017 17.315 -8.873 1.00 0.00 N ATOM 0 H LYS A 127 7.271 20.240 -5.904 1.00 0.00 H new ATOM 0 HA LYS A 127 5.359 21.378 -7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 127 6.215 18.442 -7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.541 19.292 -8.814 1.00 0.00 H new ATOM 0 HG2 LYS A 127 7.581 21.000 -8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 127 8.281 19.561 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 127 7.221 19.774 -10.435 1.00 0.00 H new ATOM 0 HD3 LYS A 127 8.913 19.786 -9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 127 6.987 17.480 -9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 127 8.101 17.524 -10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 9.056 16.282 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.932 17.727 -9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 8.815 17.548 -7.880 1.00 0.00 H new ATOM 592 N SER A 128 4.001 18.745 -5.970 1.00 0.00 N ATOM 593 CA SER A 128 2.726 18.179 -5.551 1.00 0.00 C ATOM 594 C SER A 128 2.971 16.949 -4.681 1.00 0.00 C ATOM 595 O SER A 128 4.113 16.534 -4.493 1.00 0.00 O ATOM 596 CB SER A 128 1.901 17.804 -6.792 1.00 0.00 C ATOM 597 OG SER A 128 0.624 17.345 -6.399 1.00 0.00 O ATOM 0 H SER A 128 4.807 18.151 -5.773 1.00 0.00 H new ATOM 0 HA SER A 128 2.172 18.914 -4.967 1.00 0.00 H new ATOM 0 HB2 SER A 128 1.800 18.669 -7.448 1.00 0.00 H new ATOM 0 HB3 SER A 128 2.416 17.030 -7.362 1.00 0.00 H new ATOM 0 HG SER A 128 0.102 17.109 -7.194 1.00 0.00 H new ATOM 603 N LEU A 129 1.890 16.364 -4.159 1.00 0.00 N ATOM 604 CA LEU A 129 1.977 15.167 -3.338 1.00 0.00 C ATOM 605 C LEU A 129 2.277 13.967 -4.234 1.00 0.00 C ATOM 606 O LEU A 129 2.973 13.045 -3.824 1.00 0.00 O ATOM 607 CB LEU A 129 0.658 14.959 -2.583 1.00 0.00 C ATOM 608 CG LEU A 129 0.375 16.147 -1.647 1.00 0.00 C ATOM 609 CD1 LEU A 129 -1.012 15.975 -1.023 1.00 0.00 C ATOM 610 CD2 LEU A 129 1.427 16.208 -0.533 1.00 0.00 C ATOM 0 H LEU A 129 0.940 16.708 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 129 2.779 15.276 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -0.160 14.847 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 129 0.706 14.037 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 129 0.415 17.072 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -1.219 16.814 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -1.764 15.943 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.042 15.046 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 129 1.215 17.053 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 129 1.398 15.285 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 129 2.417 16.330 -0.973 1.00 0.00 H new ATOM 622 N ASP A 130 1.750 13.986 -5.464 1.00 0.00 N ATOM 623 CA ASP A 130 1.971 12.912 -6.422 1.00 0.00 C ATOM 624 C ASP A 130 3.463 12.796 -6.757 1.00 0.00 C ATOM 625 O ASP A 130 3.926 11.735 -7.169 1.00 0.00 O ATOM 626 CB ASP A 130 1.153 13.198 -7.684 1.00 0.00 C ATOM 627 CG ASP A 130 1.301 12.071 -8.699 1.00 0.00 C ATOM 628 OD1 ASP A 130 0.832 10.957 -8.381 1.00 0.00 O ATOM 629 OD2 ASP A 130 1.878 12.347 -9.772 1.00 0.00 O ATOM 0 H ASP A 130 1.164 14.743 -5.815 1.00 0.00 H new ATOM 0 HA ASP A 130 1.650 11.963 -5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 130 0.102 13.319 -7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 130 1.481 14.138 -8.129 1.00 0.00 H new ATOM 634 N ASP A 131 4.212 13.897 -6.574 1.00 0.00 N ATOM 635 CA ASP A 131 5.642 13.935 -6.857 1.00 0.00 C ATOM 636 C ASP A 131 6.380 12.827 -6.091 1.00 0.00 C ATOM 637 O ASP A 131 7.413 12.348 -6.546 1.00 0.00 O ATOM 638 CB ASP A 131 6.177 15.321 -6.472 1.00 0.00 C ATOM 639 CG ASP A 131 7.568 15.578 -7.044 1.00 0.00 C ATOM 640 OD1 ASP A 131 7.899 14.951 -8.074 1.00 0.00 O ATOM 641 OD2 ASP A 131 8.279 16.416 -6.448 1.00 0.00 O ATOM 0 H ASP A 131 3.837 14.779 -6.226 1.00 0.00 H new ATOM 0 HA ASP A 131 5.813 13.760 -7.919 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.490 16.087 -6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 131 6.210 15.408 -5.386 1.00 0.00 H new ATOM 646 N PHE A 132 5.838 12.416 -4.929 1.00 0.00 N ATOM 647 CA PHE A 132 6.429 11.349 -4.118 1.00 0.00 C ATOM 648 C PHE A 132 6.601 10.070 -4.942 1.00 0.00 C ATOM 649 O PHE A 132 7.487 9.272 -4.653 1.00 0.00 O ATOM 650 CB PHE A 132 5.523 11.061 -2.920 1.00 0.00 C ATOM 651 CG PHE A 132 5.928 11.775 -1.649 1.00 0.00 C ATOM 652 CD1 PHE A 132 6.945 11.238 -0.841 1.00 0.00 C ATOM 653 CD2 PHE A 132 5.273 12.958 -1.259 1.00 0.00 C ATOM 654 CE1 PHE A 132 7.304 11.879 0.355 1.00 0.00 C ATOM 655 CE2 PHE A 132 5.632 13.597 -0.061 1.00 0.00 C ATOM 656 CZ PHE A 132 6.645 13.056 0.747 1.00 0.00 C ATOM 0 H PHE A 132 4.986 12.814 -4.534 1.00 0.00 H new ATOM 0 HA PHE A 132 7.410 11.677 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 132 4.502 11.346 -3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 132 5.517 9.987 -2.734 1.00 0.00 H new ATOM 0 HD1 PHE A 132 7.450 10.332 -1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 132 4.494 13.374 -1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 132 8.087 11.467 0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 132 5.129 14.504 0.239 1.00 0.00 H new ATOM 0 HZ PHE A 132 6.918 13.545 1.670 1.00 0.00 H new ATOM 666 N LEU A 133 5.748 9.868 -5.959 1.00 0.00 N ATOM 667 CA LEU A 133 5.799 8.672 -6.790 1.00 0.00 C ATOM 668 C LEU A 133 6.962 8.772 -7.788 1.00 0.00 C ATOM 669 O LEU A 133 6.753 8.808 -9.000 1.00 0.00 O ATOM 670 CB LEU A 133 4.451 8.510 -7.510 1.00 0.00 C ATOM 671 CG LEU A 133 4.311 7.088 -8.081 1.00 0.00 C ATOM 672 CD1 LEU A 133 3.977 6.099 -6.957 1.00 0.00 C ATOM 673 CD2 LEU A 133 3.185 7.070 -9.116 1.00 0.00 C ATOM 0 H LEU A 133 5.014 10.526 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 133 5.974 7.792 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 133 3.635 8.711 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 133 4.372 9.241 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 133 5.252 6.796 -8.547 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.880 5.096 -7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.775 6.109 -6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.038 6.388 -6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.082 6.064 -9.524 1.00 0.00 H new ATOM 0 HD22 LEU A 133 2.250 7.367 -8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 133 3.420 7.766 -9.921 1.00 0.00 H new