USER MOD reduce.3.24.130724 H: found=0, std=0, add=302, rem=0, adj=13 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 180:sc= -0.0427 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.0443 X(o=-0.044,f=-0.044) USER MOD Single : A 105 THR OG1 : rot -51:sc= 0.497 USER MOD Single : A 106 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.18) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.378 USER MOD Single : A 111 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.26) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 119 LYS NZ :NH3+ -171:sc= 0.913 (180deg=0.87) USER MOD Single : A 120 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0778) USER MOD Single : A 122 MET CE :methyl 178:sc= -0.0451 (180deg=-0.0531) USER MOD Single : A 125 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.013) USER MOD Single : A 127 LYS NZ :NH3+ -139:sc= 0.838 (180deg=-0.604) USER MOD Single : A 128 SER OG : rot 180:sc= 0.246 USER MOD ----------------------------------------------------------------- ATOM 68 N ALA A 94 0.937 -0.173 -4.318 1.00 0.00 N ATOM 69 CA ALA A 94 0.901 0.886 -5.318 1.00 0.00 C ATOM 70 C ALA A 94 2.319 1.176 -5.830 1.00 0.00 C ATOM 71 O ALA A 94 3.158 0.274 -5.888 1.00 0.00 O ATOM 72 CB ALA A 94 0.254 2.136 -4.709 1.00 0.00 C ATOM 0 HA ALA A 94 0.302 0.570 -6.172 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.225 2.931 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.761 1.901 -4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.838 2.466 -3.849 1.00 0.00 H new ATOM 78 N LYS A 95 2.583 2.436 -6.200 1.00 0.00 N ATOM 79 CA LYS A 95 3.885 2.851 -6.693 1.00 0.00 C ATOM 80 C LYS A 95 4.179 4.262 -6.186 1.00 0.00 C ATOM 81 O LYS A 95 4.433 5.174 -6.972 1.00 0.00 O ATOM 82 CB LYS A 95 3.883 2.794 -8.229 1.00 0.00 C ATOM 83 CG LYS A 95 5.324 2.839 -8.756 1.00 0.00 C ATOM 84 CD LYS A 95 5.326 2.831 -10.289 1.00 0.00 C ATOM 85 CE LYS A 95 4.796 4.170 -10.823 1.00 0.00 C ATOM 86 NZ LYS A 95 5.100 4.328 -12.256 1.00 0.00 N ATOM 0 H LYS A 95 1.895 3.189 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 95 4.667 2.185 -6.329 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.391 1.882 -8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 95 3.313 3.631 -8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.826 3.734 -8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.884 1.983 -8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.337 2.657 -10.658 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.707 2.013 -10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.718 4.226 -10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.241 4.991 -10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.731 5.241 -12.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.130 4.298 -12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.654 3.557 -12.793 1.00 0.00 H new ATOM 100 N TYR A 96 4.142 4.440 -4.859 1.00 0.00 N ATOM 101 CA TYR A 96 4.395 5.738 -4.251 1.00 0.00 C ATOM 102 C TYR A 96 5.840 6.159 -4.507 1.00 0.00 C ATOM 103 O TYR A 96 6.103 7.330 -4.736 1.00 0.00 O ATOM 104 CB TYR A 96 4.093 5.684 -2.750 1.00 0.00 C ATOM 105 CG TYR A 96 3.334 6.897 -2.263 1.00 0.00 C ATOM 106 CD1 TYR A 96 3.888 8.178 -2.419 1.00 0.00 C ATOM 107 CD2 TYR A 96 2.067 6.748 -1.670 1.00 0.00 C ATOM 108 CE1 TYR A 96 3.180 9.308 -1.991 1.00 0.00 C ATOM 109 CE2 TYR A 96 1.358 7.880 -1.238 1.00 0.00 C ATOM 110 CZ TYR A 96 1.912 9.160 -1.400 1.00 0.00 C ATOM 111 OH TYR A 96 1.221 10.259 -0.985 1.00 0.00 O ATOM 0 H TYR A 96 3.938 3.696 -4.192 1.00 0.00 H new ATOM 0 HA TYR A 96 3.738 6.482 -4.701 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.514 4.787 -2.532 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.029 5.601 -2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.863 8.292 -2.870 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.640 5.764 -1.547 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.607 10.292 -2.115 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.386 7.766 -0.781 1.00 0.00 H new ATOM 0 HH TYR A 96 0.364 9.980 -0.601 1.00 0.00 H new ATOM 121 N SER A 97 6.765 5.188 -4.473 1.00 0.00 N ATOM 122 CA SER A 97 8.184 5.424 -4.735 1.00 0.00 C ATOM 123 C SER A 97 8.869 6.024 -3.507 1.00 0.00 C ATOM 124 O SER A 97 8.592 7.157 -3.119 1.00 0.00 O ATOM 125 CB SER A 97 8.354 6.339 -5.957 1.00 0.00 C ATOM 126 OG SER A 97 9.625 6.124 -6.534 1.00 0.00 O ATOM 0 H SER A 97 6.544 4.215 -4.262 1.00 0.00 H new ATOM 0 HA SER A 97 8.660 4.468 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.572 6.136 -6.688 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.249 7.383 -5.660 1.00 0.00 H new ATOM 0 HG SER A 97 9.733 6.707 -7.315 1.00 0.00 H new ATOM 132 N TYR A 98 9.777 5.250 -2.909 1.00 0.00 N ATOM 133 CA TYR A 98 10.534 5.677 -1.745 1.00 0.00 C ATOM 134 C TYR A 98 11.622 6.659 -2.185 1.00 0.00 C ATOM 135 O TYR A 98 11.717 7.755 -1.640 1.00 0.00 O ATOM 136 CB TYR A 98 11.142 4.436 -1.077 1.00 0.00 C ATOM 137 CG TYR A 98 11.468 4.624 0.387 1.00 0.00 C ATOM 138 CD1 TYR A 98 10.477 4.398 1.358 1.00 0.00 C ATOM 139 CD2 TYR A 98 12.760 5.011 0.780 1.00 0.00 C ATOM 140 CE1 TYR A 98 10.776 4.563 2.720 1.00 0.00 C ATOM 141 CE2 TYR A 98 13.059 5.173 2.146 1.00 0.00 C ATOM 142 CZ TYR A 98 12.067 4.952 3.115 1.00 0.00 C ATOM 143 OH TYR A 98 12.359 5.112 4.438 1.00 0.00 O ATOM 0 H TYR A 98 10.004 4.307 -3.225 1.00 0.00 H new ATOM 0 HA TYR A 98 9.890 6.184 -1.026 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.447 3.603 -1.180 1.00 0.00 H new ATOM 0 HB3 TYR A 98 12.052 4.159 -1.609 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.485 4.097 1.056 1.00 0.00 H new ATOM 0 HD2 TYR A 98 13.523 5.184 0.035 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.013 4.391 3.465 1.00 0.00 H new ATOM 0 HE2 TYR A 98 14.053 5.468 2.449 1.00 0.00 H new ATOM 0 HH TYR A 98 13.296 5.382 4.536 1.00 0.00 H new ATOM 153 N VAL A 99 12.426 6.240 -3.186 1.00 0.00 N ATOM 154 CA VAL A 99 13.514 7.039 -3.764 1.00 0.00 C ATOM 155 C VAL A 99 14.166 7.954 -2.710 1.00 0.00 C ATOM 156 O VAL A 99 13.985 9.169 -2.718 1.00 0.00 O ATOM 157 CB VAL A 99 12.985 7.810 -5.002 1.00 0.00 C ATOM 158 CG1 VAL A 99 11.750 8.658 -4.658 1.00 0.00 C ATOM 159 CG2 VAL A 99 14.087 8.708 -5.582 1.00 0.00 C ATOM 0 H VAL A 99 12.331 5.321 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 99 14.311 6.377 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 99 12.690 7.071 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.409 9.183 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 99 10.954 8.010 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.010 9.384 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.701 9.243 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.407 9.426 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.936 8.094 -5.882 1.00 0.00 H new ATOM 169 N ASP A 100 14.938 7.350 -1.800 1.00 0.00 N ATOM 170 CA ASP A 100 15.630 8.090 -0.755 1.00 0.00 C ATOM 171 C ASP A 100 16.999 8.554 -1.263 1.00 0.00 C ATOM 172 O ASP A 100 17.321 8.387 -2.440 1.00 0.00 O ATOM 173 CB ASP A 100 15.769 7.207 0.487 1.00 0.00 C ATOM 174 CG ASP A 100 16.603 5.971 0.193 1.00 0.00 C ATOM 175 OD1 ASP A 100 16.043 5.041 -0.435 1.00 0.00 O ATOM 176 OD2 ASP A 100 17.780 5.978 0.601 1.00 0.00 O ATOM 0 H ASP A 100 15.096 6.343 -1.772 1.00 0.00 H new ATOM 0 HA ASP A 100 15.054 8.975 -0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 100 16.232 7.778 1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 100 14.781 6.907 0.836 1.00 0.00 H new ATOM 181 N GLU A 101 17.796 9.143 -0.367 1.00 0.00 N ATOM 182 CA GLU A 101 19.105 9.675 -0.709 1.00 0.00 C ATOM 183 C GLU A 101 20.068 8.566 -1.142 1.00 0.00 C ATOM 184 O GLU A 101 20.847 8.764 -2.072 1.00 0.00 O ATOM 185 CB GLU A 101 19.670 10.428 0.500 1.00 0.00 C ATOM 186 CG GLU A 101 18.864 11.708 0.741 1.00 0.00 C ATOM 187 CD GLU A 101 19.312 12.400 2.023 1.00 0.00 C ATOM 188 OE1 GLU A 101 20.540 12.585 2.171 1.00 0.00 O ATOM 189 OE2 GLU A 101 18.418 12.729 2.834 1.00 0.00 O ATOM 0 H GLU A 101 17.546 9.261 0.615 1.00 0.00 H new ATOM 0 HA GLU A 101 18.994 10.356 -1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 101 19.633 9.793 1.385 1.00 0.00 H new ATOM 0 HB3 GLU A 101 20.718 10.675 0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 101 18.987 12.385 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 101 17.803 11.468 0.805 1.00 0.00 H new ATOM 196 N ASN A 102 20.030 7.406 -0.465 1.00 0.00 N ATOM 197 CA ASN A 102 20.943 6.308 -0.766 1.00 0.00 C ATOM 198 C ASN A 102 20.201 4.974 -0.721 1.00 0.00 C ATOM 199 O ASN A 102 20.224 4.281 0.296 1.00 0.00 O ATOM 200 CB ASN A 102 22.099 6.314 0.243 1.00 0.00 C ATOM 201 CG ASN A 102 22.980 7.546 0.065 1.00 0.00 C ATOM 202 OD1 ASN A 102 23.916 7.531 -0.730 1.00 0.00 O ATOM 203 ND2 ASN A 102 22.682 8.613 0.808 1.00 0.00 N ATOM 0 H ASN A 102 19.375 7.212 0.292 1.00 0.00 H new ATOM 0 HA ASN A 102 21.346 6.440 -1.770 1.00 0.00 H new ATOM 0 HB2 ASN A 102 21.700 6.292 1.257 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.699 5.413 0.117 1.00 0.00 H new ATOM 0 HD21 ASN A 102 23.241 9.462 0.729 1.00 0.00 H new ATOM 0 HD22 ASN A 102 21.895 8.580 1.456 1.00 0.00 H new ATOM 210 N GLY A 103 19.550 4.617 -1.830 1.00 0.00 N ATOM 211 CA GLY A 103 18.818 3.367 -1.927 1.00 0.00 C ATOM 212 C GLY A 103 18.621 2.991 -3.389 1.00 0.00 C ATOM 213 O GLY A 103 19.578 2.624 -4.069 1.00 0.00 O ATOM 0 H GLY A 103 19.519 5.186 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 103 19.362 2.577 -1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 103 17.851 3.463 -1.434 1.00 0.00 H new ATOM 217 N GLU A 104 17.377 3.085 -3.871 1.00 0.00 N ATOM 218 CA GLU A 104 17.050 2.746 -5.249 1.00 0.00 C ATOM 219 C GLU A 104 15.648 3.275 -5.587 1.00 0.00 C ATOM 220 O GLU A 104 15.472 4.480 -5.754 1.00 0.00 O ATOM 221 CB GLU A 104 17.152 1.222 -5.448 1.00 0.00 C ATOM 222 CG GLU A 104 16.496 0.479 -4.272 1.00 0.00 C ATOM 223 CD GLU A 104 15.692 -0.715 -4.762 1.00 0.00 C ATOM 224 OE1 GLU A 104 14.634 -0.463 -5.378 1.00 0.00 O ATOM 225 OE2 GLU A 104 16.146 -1.851 -4.512 1.00 0.00 O ATOM 0 H GLU A 104 16.579 3.396 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 104 17.759 3.216 -5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 104 16.666 0.938 -6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 104 18.199 0.930 -5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.264 0.143 -3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 104 15.845 1.160 -3.724 1.00 0.00 H new ATOM 232 N THR A 105 14.656 2.378 -5.687 1.00 0.00 N ATOM 233 CA THR A 105 13.289 2.760 -6.005 1.00 0.00 C ATOM 234 C THR A 105 12.315 1.841 -5.252 1.00 0.00 C ATOM 235 O THR A 105 11.447 1.202 -5.848 1.00 0.00 O ATOM 236 CB THR A 105 13.093 2.711 -7.535 1.00 0.00 C ATOM 237 OG1 THR A 105 11.747 2.994 -7.858 1.00 0.00 O ATOM 238 CG2 THR A 105 13.480 1.332 -8.092 1.00 0.00 C ATOM 0 H THR A 105 14.786 1.376 -5.549 1.00 0.00 H new ATOM 0 HA THR A 105 13.085 3.781 -5.682 1.00 0.00 H new ATOM 0 HB THR A 105 13.741 3.462 -7.987 1.00 0.00 H new ATOM 0 HG1 THR A 105 11.155 2.426 -7.322 1.00 0.00 H new ATOM 0 HG21 THR A 105 13.333 1.322 -9.172 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.527 1.129 -7.866 1.00 0.00 H new ATOM 0 HG23 THR A 105 12.855 0.566 -7.634 1.00 0.00 H new ATOM 246 N LYS A 106 12.466 1.789 -3.921 1.00 0.00 N ATOM 247 CA LYS A 106 11.597 0.982 -3.074 1.00 0.00 C ATOM 248 C LYS A 106 10.193 1.602 -3.052 1.00 0.00 C ATOM 249 O LYS A 106 9.938 2.581 -3.749 1.00 0.00 O ATOM 250 CB LYS A 106 12.183 0.920 -1.651 1.00 0.00 C ATOM 251 CG LYS A 106 13.608 0.344 -1.683 1.00 0.00 C ATOM 252 CD LYS A 106 14.630 1.413 -1.261 1.00 0.00 C ATOM 253 CE LYS A 106 14.525 1.685 0.247 1.00 0.00 C ATOM 254 NZ LYS A 106 15.561 2.643 0.686 1.00 0.00 N ATOM 0 H LYS A 106 13.187 2.301 -3.413 1.00 0.00 H new ATOM 0 HA LYS A 106 11.528 -0.032 -3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.197 1.918 -1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.548 0.302 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 106 13.675 -0.515 -1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 106 13.840 -0.013 -2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 106 15.638 1.080 -1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 106 14.454 2.334 -1.817 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.537 2.080 0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 106 14.633 0.750 0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 15.304 3.030 1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 16.477 2.156 0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 15.632 3.418 -0.004 1.00 0.00 H new ATOM 268 N THR A 107 9.289 1.036 -2.247 1.00 0.00 N ATOM 269 CA THR A 107 7.932 1.557 -2.108 1.00 0.00 C ATOM 270 C THR A 107 7.711 1.988 -0.656 1.00 0.00 C ATOM 271 O THR A 107 8.429 1.547 0.241 1.00 0.00 O ATOM 272 CB THR A 107 6.919 0.482 -2.531 1.00 0.00 C ATOM 273 OG1 THR A 107 7.333 -0.786 -2.061 1.00 0.00 O ATOM 274 CG2 THR A 107 6.818 0.449 -4.059 1.00 0.00 C ATOM 0 H THR A 107 9.478 0.210 -1.679 1.00 0.00 H new ATOM 0 HA THR A 107 7.792 2.423 -2.754 1.00 0.00 H new ATOM 0 HB THR A 107 5.946 0.722 -2.103 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.681 -1.465 -2.334 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.099 -0.313 -4.360 1.00 0.00 H new ATOM 0 HG22 THR A 107 6.488 1.422 -4.423 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.794 0.215 -4.483 1.00 0.00 H new ATOM 282 N TRP A 108 6.720 2.862 -0.429 1.00 0.00 N ATOM 283 CA TRP A 108 6.428 3.380 0.906 1.00 0.00 C ATOM 284 C TRP A 108 5.926 2.266 1.820 1.00 0.00 C ATOM 285 O TRP A 108 6.326 2.205 2.981 1.00 0.00 O ATOM 286 CB TRP A 108 5.388 4.499 0.807 1.00 0.00 C ATOM 287 CG TRP A 108 5.914 5.816 0.318 1.00 0.00 C ATOM 288 CD1 TRP A 108 6.992 5.993 -0.471 1.00 0.00 C ATOM 289 CD2 TRP A 108 5.399 7.159 0.566 1.00 0.00 C ATOM 290 NE1 TRP A 108 7.193 7.322 -0.740 1.00 0.00 N ATOM 291 CE2 TRP A 108 6.234 8.098 -0.120 1.00 0.00 C ATOM 292 CE3 TRP A 108 4.312 7.691 1.300 1.00 0.00 C ATOM 293 CZ2 TRP A 108 6.003 9.473 -0.082 1.00 0.00 C ATOM 294 CZ3 TRP A 108 4.077 9.082 1.341 1.00 0.00 C ATOM 295 CH2 TRP A 108 4.921 9.968 0.650 1.00 0.00 C ATOM 0 H TRP A 108 6.107 3.224 -1.160 1.00 0.00 H new ATOM 0 HA TRP A 108 7.346 3.781 1.336 1.00 0.00 H new ATOM 0 HB2 TRP A 108 4.590 4.174 0.140 1.00 0.00 H new ATOM 0 HB3 TRP A 108 4.941 4.646 1.790 1.00 0.00 H new ATOM 0 HD1 TRP A 108 7.615 5.193 -0.842 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.948 7.688 -1.319 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.654 7.023 1.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 6.655 10.150 -0.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.243 9.468 1.907 1.00 0.00 H new ATOM 0 HH2 TRP A 108 4.733 11.031 0.685 1.00 0.00 H new ATOM 306 N THR A 109 5.044 1.398 1.287 1.00 0.00 N ATOM 307 CA THR A 109 4.450 0.286 2.039 1.00 0.00 C ATOM 308 C THR A 109 3.994 0.764 3.433 1.00 0.00 C ATOM 309 O THR A 109 3.638 1.931 3.600 1.00 0.00 O ATOM 310 CB THR A 109 5.440 -0.910 2.092 1.00 0.00 C ATOM 311 OG1 THR A 109 4.795 -2.030 2.663 1.00 0.00 O ATOM 312 CG2 THR A 109 6.700 -0.582 2.905 1.00 0.00 C ATOM 0 H THR A 109 4.725 1.452 0.320 1.00 0.00 H new ATOM 0 HA THR A 109 3.555 -0.071 1.529 1.00 0.00 H new ATOM 0 HB THR A 109 5.750 -1.127 1.070 1.00 0.00 H new ATOM 0 HG1 THR A 109 5.419 -2.785 2.695 1.00 0.00 H new ATOM 0 HG21 THR A 109 7.363 -1.447 2.914 1.00 0.00 H new ATOM 0 HG22 THR A 109 7.215 0.265 2.452 1.00 0.00 H new ATOM 0 HG23 THR A 109 6.418 -0.330 3.927 1.00 0.00 H new ATOM 320 N GLY A 110 3.995 -0.134 4.424 1.00 0.00 N ATOM 321 CA GLY A 110 3.590 0.211 5.779 1.00 0.00 C ATOM 322 C GLY A 110 4.703 0.993 6.466 1.00 0.00 C ATOM 323 O GLY A 110 4.688 2.223 6.473 1.00 0.00 O ATOM 0 H GLY A 110 4.274 -1.108 4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 110 2.676 0.805 5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 110 3.367 -0.694 6.344 1.00 0.00 H new ATOM 327 N GLN A 111 5.672 0.269 7.048 1.00 0.00 N ATOM 328 CA GLN A 111 6.814 0.876 7.729 1.00 0.00 C ATOM 329 C GLN A 111 6.347 1.794 8.871 1.00 0.00 C ATOM 330 O GLN A 111 7.068 2.707 9.266 1.00 0.00 O ATOM 331 CB GLN A 111 7.653 1.656 6.699 1.00 0.00 C ATOM 332 CG GLN A 111 9.117 1.744 7.150 1.00 0.00 C ATOM 333 CD GLN A 111 9.799 0.382 7.074 1.00 0.00 C ATOM 334 OE1 GLN A 111 10.003 -0.150 5.986 1.00 0.00 O ATOM 335 NE2 GLN A 111 10.153 -0.181 8.228 1.00 0.00 N ATOM 0 H GLN A 111 5.681 -0.751 7.057 1.00 0.00 H new ATOM 0 HA GLN A 111 7.428 0.094 8.175 1.00 0.00 H new ATOM 0 HB2 GLN A 111 7.595 1.165 5.728 1.00 0.00 H new ATOM 0 HB3 GLN A 111 7.245 2.659 6.574 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.652 2.457 6.522 1.00 0.00 H new ATOM 0 HG3 GLN A 111 9.164 2.121 8.172 1.00 0.00 H new ATOM 0 HE21 GLN A 111 9.963 0.298 9.108 1.00 0.00 H new ATOM 0 HE22 GLN A 111 10.614 -1.091 8.231 1.00 0.00 H new ATOM 344 N GLY A 112 5.138 1.549 9.400 1.00 0.00 N ATOM 345 CA GLY A 112 4.586 2.354 10.479 1.00 0.00 C ATOM 346 C GLY A 112 4.175 3.729 9.952 1.00 0.00 C ATOM 347 O GLY A 112 2.989 3.984 9.732 1.00 0.00 O ATOM 0 H GLY A 112 4.528 0.793 9.089 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.723 1.850 10.914 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.324 2.466 11.273 1.00 0.00 H new ATOM 351 N ARG A 113 5.163 4.612 9.751 1.00 0.00 N ATOM 352 CA ARG A 113 4.925 5.955 9.249 1.00 0.00 C ATOM 353 C ARG A 113 6.234 6.515 8.697 1.00 0.00 C ATOM 354 O ARG A 113 7.308 6.068 9.095 1.00 0.00 O ATOM 355 CB ARG A 113 4.384 6.838 10.390 1.00 0.00 C ATOM 356 CG ARG A 113 3.634 8.067 9.833 1.00 0.00 C ATOM 357 CD ARG A 113 2.455 7.637 8.942 1.00 0.00 C ATOM 358 NE ARG A 113 1.767 6.459 9.494 1.00 0.00 N ATOM 359 CZ ARG A 113 0.814 6.528 10.440 1.00 0.00 C ATOM 360 NH1 ARG A 113 0.455 7.710 10.960 1.00 0.00 N ATOM 361 NH2 ARG A 113 0.225 5.405 10.866 1.00 0.00 N ATOM 0 H ARG A 113 6.145 4.407 9.934 1.00 0.00 H new ATOM 0 HA ARG A 113 4.185 5.938 8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 113 3.713 6.253 11.020 1.00 0.00 H new ATOM 0 HB3 ARG A 113 5.209 7.167 11.022 1.00 0.00 H new ATOM 0 HG2 ARG A 113 3.267 8.678 10.658 1.00 0.00 H new ATOM 0 HG3 ARG A 113 4.322 8.687 9.258 1.00 0.00 H new ATOM 0 HD2 ARG A 113 1.749 8.462 8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 113 2.818 7.412 7.939 1.00 0.00 H new ATOM 0 HE ARG A 113 2.028 5.539 9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.906 8.567 10.638 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -0.269 7.753 11.677 1.00 0.00 H new ATOM 0 HH21 ARG A 113 0.500 4.505 10.473 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -0.499 5.449 11.583 1.00 0.00 H new ATOM 375 N THR A 114 6.138 7.489 7.778 1.00 0.00 N ATOM 376 CA THR A 114 7.304 8.106 7.150 1.00 0.00 C ATOM 377 C THR A 114 8.348 8.491 8.216 1.00 0.00 C ATOM 378 O THR A 114 8.105 9.404 9.015 1.00 0.00 O ATOM 379 CB THR A 114 6.850 9.340 6.364 1.00 0.00 C ATOM 380 OG1 THR A 114 5.707 9.017 5.600 1.00 0.00 O ATOM 381 CG2 THR A 114 7.969 9.795 5.426 1.00 0.00 C ATOM 0 H THR A 114 5.248 7.867 7.454 1.00 0.00 H new ATOM 0 HA THR A 114 7.772 7.396 6.468 1.00 0.00 H new ATOM 0 HB THR A 114 6.612 10.142 7.062 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.415 9.807 5.098 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.642 10.673 4.869 1.00 0.00 H new ATOM 0 HG22 THR A 114 8.854 10.045 6.010 1.00 0.00 H new ATOM 0 HG23 THR A 114 8.209 8.992 4.729 1.00 0.00 H new ATOM 389 N PRO A 115 9.513 7.798 8.239 1.00 0.00 N ATOM 390 CA PRO A 115 10.555 8.057 9.213 1.00 0.00 C ATOM 391 C PRO A 115 11.177 9.433 8.989 1.00 0.00 C ATOM 392 O PRO A 115 10.971 10.350 9.784 1.00 0.00 O ATOM 393 CB PRO A 115 11.593 6.944 9.014 1.00 0.00 C ATOM 394 CG PRO A 115 11.189 6.174 7.753 1.00 0.00 C ATOM 395 CD PRO A 115 9.836 6.731 7.311 1.00 0.00 C ATOM 0 HA PRO A 115 10.164 8.060 10.230 1.00 0.00 H new ATOM 0 HB2 PRO A 115 12.593 7.364 8.905 1.00 0.00 H new ATOM 0 HB3 PRO A 115 11.618 6.281 9.879 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.934 6.300 6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 115 11.119 5.106 7.958 1.00 0.00 H new ATOM 0 HD2 PRO A 115 9.885 7.106 6.289 1.00 0.00 H new ATOM 0 HD3 PRO A 115 9.071 5.955 7.329 1.00 0.00 H new ATOM 403 N ALA A 116 11.944 9.562 7.903 1.00 0.00 N ATOM 404 CA ALA A 116 12.626 10.795 7.562 1.00 0.00 C ATOM 405 C ALA A 116 13.000 10.753 6.084 1.00 0.00 C ATOM 406 O ALA A 116 12.555 9.857 5.372 1.00 0.00 O ATOM 407 CB ALA A 116 13.872 10.943 8.443 1.00 0.00 C ATOM 0 H ALA A 116 12.105 8.805 7.238 1.00 0.00 H new ATOM 0 HA ALA A 116 11.980 11.655 7.737 1.00 0.00 H new ATOM 0 HB1 ALA A 116 14.388 11.869 8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 116 13.575 10.968 9.492 1.00 0.00 H new ATOM 0 HB3 ALA A 116 14.539 10.098 8.274 1.00 0.00 H new ATOM 413 N VAL A 117 13.816 11.726 5.635 1.00 0.00 N ATOM 414 CA VAL A 117 14.256 11.838 4.240 1.00 0.00 C ATOM 415 C VAL A 117 13.070 12.218 3.353 1.00 0.00 C ATOM 416 O VAL A 117 13.023 13.326 2.830 1.00 0.00 O ATOM 417 CB VAL A 117 14.926 10.534 3.758 1.00 0.00 C ATOM 418 CG1 VAL A 117 15.455 10.736 2.336 1.00 0.00 C ATOM 419 CG2 VAL A 117 16.095 10.173 4.681 1.00 0.00 C ATOM 0 H VAL A 117 14.188 12.459 6.238 1.00 0.00 H new ATOM 0 HA VAL A 117 15.007 12.625 4.172 1.00 0.00 H new ATOM 0 HB VAL A 117 14.193 9.728 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 117 15.930 9.818 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 117 14.628 10.989 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 117 16.185 11.546 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 117 16.562 9.251 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 117 16.829 10.978 4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 117 15.726 10.032 5.697 1.00 0.00 H new ATOM 429 N ILE A 118 12.111 11.302 3.194 1.00 0.00 N ATOM 430 CA ILE A 118 10.919 11.554 2.398 1.00 0.00 C ATOM 431 C ILE A 118 10.129 12.700 3.029 1.00 0.00 C ATOM 432 O ILE A 118 9.599 13.557 2.328 1.00 0.00 O ATOM 433 CB ILE A 118 10.082 10.264 2.340 1.00 0.00 C ATOM 434 CG1 ILE A 118 10.770 9.260 1.405 1.00 0.00 C ATOM 435 CG2 ILE A 118 8.669 10.566 1.824 1.00 0.00 C ATOM 436 CD1 ILE A 118 10.230 7.852 1.657 1.00 0.00 C ATOM 0 H ILE A 118 12.143 10.372 3.613 1.00 0.00 H new ATOM 0 HA ILE A 118 11.186 11.842 1.381 1.00 0.00 H new ATOM 0 HB ILE A 118 10.003 9.843 3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 118 10.599 9.543 0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 118 11.848 9.279 1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.090 9.643 1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.181 11.275 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.731 10.994 0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 118 10.725 7.148 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 118 10.424 7.568 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.156 7.836 1.471 1.00 0.00 H new ATOM 448 N LYS A 119 10.060 12.696 4.364 1.00 0.00 N ATOM 449 CA LYS A 119 9.343 13.710 5.118 1.00 0.00 C ATOM 450 C LYS A 119 9.941 15.098 4.859 1.00 0.00 C ATOM 451 O LYS A 119 9.213 16.086 4.818 1.00 0.00 O ATOM 452 CB LYS A 119 9.422 13.339 6.603 1.00 0.00 C ATOM 453 CG LYS A 119 8.408 14.150 7.419 1.00 0.00 C ATOM 454 CD LYS A 119 7.890 13.301 8.590 1.00 0.00 C ATOM 455 CE LYS A 119 9.055 12.889 9.501 1.00 0.00 C ATOM 456 NZ LYS A 119 8.642 11.840 10.451 1.00 0.00 N ATOM 0 H LYS A 119 10.503 11.985 4.946 1.00 0.00 H new ATOM 0 HA LYS A 119 8.300 13.749 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.228 12.274 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.429 13.525 6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 119 8.874 15.060 7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 119 7.577 14.457 6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.154 13.867 9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 119 7.384 12.413 8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.885 12.528 8.894 1.00 0.00 H new ATOM 0 HE3 LYS A 119 9.417 13.759 10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 9.396 11.689 11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.772 12.136 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.466 10.954 9.935 1.00 0.00 H new ATOM 470 N LYS A 120 11.269 15.168 4.684 1.00 0.00 N ATOM 471 CA LYS A 120 11.953 16.429 4.419 1.00 0.00 C ATOM 472 C LYS A 120 11.777 16.811 2.955 1.00 0.00 C ATOM 473 O LYS A 120 11.450 17.956 2.648 1.00 0.00 O ATOM 474 CB LYS A 120 13.440 16.290 4.761 1.00 0.00 C ATOM 475 CG LYS A 120 13.625 16.251 6.279 1.00 0.00 C ATOM 476 CD LYS A 120 15.115 16.097 6.607 1.00 0.00 C ATOM 477 CE LYS A 120 15.326 16.135 8.125 1.00 0.00 C ATOM 478 NZ LYS A 120 15.142 17.500 8.657 1.00 0.00 N ATOM 0 H LYS A 120 11.888 14.358 4.723 1.00 0.00 H new ATOM 0 HA LYS A 120 11.522 17.215 5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 120 13.841 15.381 4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 120 13.998 17.126 4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.235 17.165 6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 120 13.060 15.421 6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 120 15.489 15.156 6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.684 16.896 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 120 14.624 15.456 8.609 1.00 0.00 H new ATOM 0 HE3 LYS A 120 16.329 15.781 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 15.470 17.535 9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 15.692 18.172 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.135 17.755 8.617 1.00 0.00 H new ATOM 492 N ALA A 121 11.992 15.848 2.051 1.00 0.00 N ATOM 493 CA ALA A 121 11.860 16.082 0.620 1.00 0.00 C ATOM 494 C ALA A 121 10.384 16.051 0.215 1.00 0.00 C ATOM 495 O ALA A 121 10.025 15.438 -0.784 1.00 0.00 O ATOM 496 CB ALA A 121 12.660 15.015 -0.133 1.00 0.00 C ATOM 0 H ALA A 121 12.260 14.894 2.294 1.00 0.00 H new ATOM 0 HA ALA A 121 12.254 17.066 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 121 12.568 15.181 -1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 121 13.709 15.076 0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 121 12.273 14.027 0.116 1.00 0.00 H new ATOM 502 N MET A 122 9.534 16.727 0.996 1.00 0.00 N ATOM 503 CA MET A 122 8.113 16.810 0.720 1.00 0.00 C ATOM 504 C MET A 122 7.835 18.169 0.087 1.00 0.00 C ATOM 505 O MET A 122 7.558 18.259 -1.106 1.00 0.00 O ATOM 506 CB MET A 122 7.338 16.614 2.031 1.00 0.00 C ATOM 507 CG MET A 122 5.833 16.613 1.761 1.00 0.00 C ATOM 508 SD MET A 122 4.832 16.112 3.186 1.00 0.00 S ATOM 509 CE MET A 122 5.105 17.543 4.261 1.00 0.00 C ATOM 0 H MET A 122 9.822 17.229 1.836 1.00 0.00 H new ATOM 0 HA MET A 122 7.790 16.032 0.028 1.00 0.00 H new ATOM 0 HB2 MET A 122 7.631 15.674 2.498 1.00 0.00 H new ATOM 0 HB3 MET A 122 7.588 17.410 2.732 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.529 17.612 1.449 1.00 0.00 H new ATOM 0 HG3 MET A 122 5.624 15.942 0.928 1.00 0.00 H new ATOM 0 HE1 MET A 122 4.530 17.423 5.179 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.165 17.619 4.504 1.00 0.00 H new ATOM 0 HE3 MET A 122 4.784 18.450 3.748 1.00 0.00 H new ATOM 519 N ASP A 123 7.933 19.229 0.894 1.00 0.00 N ATOM 520 CA ASP A 123 7.743 20.585 0.416 1.00 0.00 C ATOM 521 C ASP A 123 9.026 21.057 -0.265 1.00 0.00 C ATOM 522 O ASP A 123 8.975 21.747 -1.281 1.00 0.00 O ATOM 523 CB ASP A 123 7.391 21.495 1.598 1.00 0.00 C ATOM 524 CG ASP A 123 6.247 20.912 2.418 1.00 0.00 C ATOM 525 OD1 ASP A 123 5.084 21.169 2.039 1.00 0.00 O ATOM 526 OD2 ASP A 123 6.560 20.217 3.409 1.00 0.00 O ATOM 0 H ASP A 123 8.145 19.164 1.890 1.00 0.00 H new ATOM 0 HA ASP A 123 6.927 20.620 -0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 123 8.267 21.627 2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 123 7.112 22.483 1.230 1.00 0.00 H new ATOM 531 N GLU A 124 10.180 20.676 0.307 1.00 0.00 N ATOM 532 CA GLU A 124 11.481 21.060 -0.225 1.00 0.00 C ATOM 533 C GLU A 124 11.670 20.500 -1.637 1.00 0.00 C ATOM 534 O GLU A 124 12.298 21.143 -2.476 1.00 0.00 O ATOM 535 CB GLU A 124 12.586 20.538 0.703 1.00 0.00 C ATOM 536 CG GLU A 124 12.459 21.168 2.097 1.00 0.00 C ATOM 537 CD GLU A 124 12.734 22.666 2.049 1.00 0.00 C ATOM 538 OE1 GLU A 124 13.918 23.020 1.868 1.00 0.00 O ATOM 539 OE2 GLU A 124 11.754 23.428 2.197 1.00 0.00 O ATOM 0 H GLU A 124 10.229 20.097 1.145 1.00 0.00 H new ATOM 0 HA GLU A 124 11.536 22.147 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 124 12.521 19.453 0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 124 13.564 20.770 0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.458 20.991 2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.159 20.688 2.781 1.00 0.00 H new ATOM 546 N GLN A 125 11.132 19.299 -1.897 1.00 0.00 N ATOM 547 CA GLN A 125 11.263 18.657 -3.198 1.00 0.00 C ATOM 548 C GLN A 125 10.686 19.554 -4.291 1.00 0.00 C ATOM 549 O GLN A 125 11.353 19.808 -5.295 1.00 0.00 O ATOM 550 CB GLN A 125 10.562 17.295 -3.171 1.00 0.00 C ATOM 551 CG GLN A 125 10.432 16.736 -4.596 1.00 0.00 C ATOM 552 CD GLN A 125 10.091 15.246 -4.594 1.00 0.00 C ATOM 553 OE1 GLN A 125 10.344 14.554 -5.577 1.00 0.00 O ATOM 554 NE2 GLN A 125 9.522 14.746 -3.499 1.00 0.00 N ATOM 0 H GLN A 125 10.601 18.757 -1.215 1.00 0.00 H new ATOM 0 HA GLN A 125 12.318 18.498 -3.420 1.00 0.00 H new ATOM 0 HB2 GLN A 125 11.127 16.600 -2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 125 9.575 17.395 -2.720 1.00 0.00 H new ATOM 0 HG2 GLN A 125 9.658 17.285 -5.132 1.00 0.00 H new ATOM 0 HG3 GLN A 125 11.366 16.894 -5.135 1.00 0.00 H new ATOM 0 HE21 GLN A 125 9.328 15.353 -2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 125 9.281 13.756 -3.456 1.00 0.00 H new ATOM 563 N GLY A 126 9.450 20.035 -4.108 1.00 0.00 N ATOM 564 CA GLY A 126 8.828 20.895 -5.098 1.00 0.00 C ATOM 565 C GLY A 126 7.396 21.237 -4.713 1.00 0.00 C ATOM 566 O GLY A 126 7.094 22.393 -4.428 1.00 0.00 O ATOM 0 H GLY A 126 8.873 19.841 -3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.408 21.812 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 126 8.837 20.401 -6.069 1.00 0.00 H new ATOM 570 N LYS A 127 6.507 20.233 -4.723 1.00 0.00 N ATOM 571 CA LYS A 127 5.097 20.447 -4.439 1.00 0.00 C ATOM 572 C LYS A 127 4.726 19.863 -3.076 1.00 0.00 C ATOM 573 O LYS A 127 4.433 20.615 -2.151 1.00 0.00 O ATOM 574 CB LYS A 127 4.265 19.808 -5.555 1.00 0.00 C ATOM 575 CG LYS A 127 2.811 20.275 -5.458 1.00 0.00 C ATOM 576 CD LYS A 127 2.029 19.813 -6.694 1.00 0.00 C ATOM 577 CE LYS A 127 2.015 18.280 -6.771 1.00 0.00 C ATOM 578 NZ LYS A 127 3.115 17.765 -7.617 1.00 0.00 N ATOM 0 H LYS A 127 6.750 19.264 -4.927 1.00 0.00 H new ATOM 0 HA LYS A 127 4.889 21.516 -4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 127 4.678 20.077 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 127 4.312 18.722 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.351 19.874 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.774 21.361 -5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 127 1.008 20.191 -6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 127 2.483 20.225 -7.595 1.00 0.00 H new ATOM 0 HE2 LYS A 127 2.103 17.864 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 127 1.059 17.944 -7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 2.764 16.981 -8.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 3.466 18.527 -8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 3.889 17.425 -7.011 1.00 0.00 H new ATOM 592 N SER A 128 4.725 18.525 -2.954 1.00 0.00 N ATOM 593 CA SER A 128 4.329 17.872 -1.714 1.00 0.00 C ATOM 594 C SER A 128 4.604 16.362 -1.784 1.00 0.00 C ATOM 595 O SER A 128 5.756 15.936 -1.730 1.00 0.00 O ATOM 596 CB SER A 128 2.839 18.157 -1.448 1.00 0.00 C ATOM 597 OG SER A 128 2.072 17.771 -2.573 1.00 0.00 O ATOM 0 H SER A 128 4.994 17.884 -3.701 1.00 0.00 H new ATOM 0 HA SER A 128 4.918 18.270 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 128 2.506 17.612 -0.565 1.00 0.00 H new ATOM 0 HB3 SER A 128 2.693 19.217 -1.242 1.00 0.00 H new ATOM 0 HG SER A 128 1.124 17.952 -2.400 1.00 0.00 H new ATOM 603 N LEU A 129 3.533 15.553 -1.889 1.00 0.00 N ATOM 604 CA LEU A 129 3.641 14.099 -1.903 1.00 0.00 C ATOM 605 C LEU A 129 3.509 13.562 -3.328 1.00 0.00 C ATOM 606 O LEU A 129 4.174 12.591 -3.687 1.00 0.00 O ATOM 607 CB LEU A 129 2.538 13.497 -1.020 1.00 0.00 C ATOM 608 CG LEU A 129 2.847 13.713 0.472 1.00 0.00 C ATOM 609 CD1 LEU A 129 2.426 15.121 0.905 1.00 0.00 C ATOM 610 CD2 LEU A 129 2.076 12.684 1.301 1.00 0.00 C ATOM 0 H LEU A 129 2.576 15.897 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 129 4.620 13.816 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 129 1.580 13.954 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.444 12.431 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 129 3.919 13.597 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 129 2.651 15.259 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.972 15.860 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 129 1.356 15.247 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 129 2.292 12.833 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 129 1.007 12.805 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 129 2.379 11.679 1.007 1.00 0.00 H new ATOM 622 N ASP A 130 2.639 14.188 -4.132 1.00 0.00 N ATOM 623 CA ASP A 130 2.379 13.757 -5.505 1.00 0.00 C ATOM 624 C ASP A 130 3.679 13.622 -6.300 1.00 0.00 C ATOM 625 O ASP A 130 3.762 12.803 -7.210 1.00 0.00 O ATOM 626 CB ASP A 130 1.451 14.767 -6.182 1.00 0.00 C ATOM 627 CG ASP A 130 0.206 15.025 -5.342 1.00 0.00 C ATOM 628 OD1 ASP A 130 0.335 15.794 -4.362 1.00 0.00 O ATOM 629 OD2 ASP A 130 -0.846 14.454 -5.695 1.00 0.00 O ATOM 0 H ASP A 130 2.099 15.005 -3.846 1.00 0.00 H new ATOM 0 HA ASP A 130 1.903 12.777 -5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 130 1.985 15.704 -6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 130 1.159 14.394 -7.164 1.00 0.00 H new ATOM 634 N ASP A 131 4.688 14.431 -5.960 1.00 0.00 N ATOM 635 CA ASP A 131 5.972 14.408 -6.651 1.00 0.00 C ATOM 636 C ASP A 131 6.580 13.003 -6.607 1.00 0.00 C ATOM 637 O ASP A 131 7.184 12.561 -7.583 1.00 0.00 O ATOM 638 CB ASP A 131 6.915 15.424 -6.000 1.00 0.00 C ATOM 639 CG ASP A 131 6.297 16.818 -5.977 1.00 0.00 C ATOM 640 OD1 ASP A 131 5.662 17.184 -6.994 1.00 0.00 O ATOM 641 OD2 ASP A 131 6.466 17.493 -4.942 1.00 0.00 O ATOM 0 H ASP A 131 4.634 15.113 -5.204 1.00 0.00 H new ATOM 0 HA ASP A 131 5.823 14.677 -7.697 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.146 15.109 -4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.858 15.451 -6.547 1.00 0.00 H new ATOM 646 N PHE A 132 6.418 12.299 -5.475 1.00 0.00 N ATOM 647 CA PHE A 132 6.951 10.951 -5.323 1.00 0.00 C ATOM 648 C PHE A 132 6.204 9.981 -6.237 1.00 0.00 C ATOM 649 O PHE A 132 6.823 9.120 -6.854 1.00 0.00 O ATOM 650 CB PHE A 132 6.828 10.504 -3.865 1.00 0.00 C ATOM 651 CG PHE A 132 7.812 11.181 -2.939 1.00 0.00 C ATOM 652 CD1 PHE A 132 9.129 10.698 -2.844 1.00 0.00 C ATOM 653 CD2 PHE A 132 7.412 12.284 -2.166 1.00 0.00 C ATOM 654 CE1 PHE A 132 10.045 11.318 -1.980 1.00 0.00 C ATOM 655 CE2 PHE A 132 8.325 12.902 -1.300 1.00 0.00 C ATOM 656 CZ PHE A 132 9.643 12.419 -1.207 1.00 0.00 C ATOM 0 H PHE A 132 5.921 12.648 -4.656 1.00 0.00 H new ATOM 0 HA PHE A 132 8.004 10.953 -5.605 1.00 0.00 H new ATOM 0 HB2 PHE A 132 5.815 10.706 -3.516 1.00 0.00 H new ATOM 0 HB3 PHE A 132 6.974 9.425 -3.811 1.00 0.00 H new ATOM 0 HD1 PHE A 132 9.436 9.849 -3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 132 6.401 12.656 -2.239 1.00 0.00 H new ATOM 0 HE1 PHE A 132 11.057 10.949 -1.910 1.00 0.00 H new ATOM 0 HE2 PHE A 132 8.017 13.749 -0.704 1.00 0.00 H new ATOM 0 HZ PHE A 132 10.346 12.896 -0.540 1.00 0.00 H new ATOM 666 N LEU A 133 4.874 10.121 -6.318 1.00 0.00 N ATOM 667 CA LEU A 133 4.048 9.246 -7.141 1.00 0.00 C ATOM 668 C LEU A 133 4.396 9.428 -8.619 1.00 0.00 C ATOM 669 O LEU A 133 3.827 10.285 -9.294 1.00 0.00 O ATOM 670 CB LEU A 133 2.565 9.561 -6.892 1.00 0.00 C ATOM 671 CG LEU A 133 2.095 8.887 -5.597 1.00 0.00 C ATOM 672 CD1 LEU A 133 0.966 9.708 -4.968 1.00 0.00 C ATOM 673 CD2 LEU A 133 1.583 7.477 -5.909 1.00 0.00 C ATOM 0 H LEU A 133 4.350 10.839 -5.817 1.00 0.00 H new ATOM 0 HA LEU A 133 4.240 8.207 -6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 133 2.420 10.639 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 133 1.965 9.212 -7.732 1.00 0.00 H new ATOM 0 HG LEU A 133 2.931 8.826 -4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 133 0.635 9.226 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 133 1.328 10.711 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 133 0.131 9.772 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 133 1.249 6.999 -4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 133 0.749 7.539 -6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.386 6.888 -6.353 1.00 0.00 H new