USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 334 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 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -159:sc= 1.24 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0.0233 K(o=0.023,f=-1.9!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0759 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 152:sc= 1.26 (180deg=1.16) USER MOD Single : A 121 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.16) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 128 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.21) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ALA A 95 13.719 -4.841 -5.605 1.00 1.00 N ATOM 62 CA ALA A 95 14.709 -3.911 -5.037 1.00 1.00 C ATOM 63 C ALA A 95 15.139 -2.765 -5.996 1.00 1.00 C ATOM 64 O ALA A 95 14.512 -2.523 -7.031 1.00 1.00 O ATOM 65 CB ALA A 95 15.864 -4.735 -4.441 1.00 1.00 C ATOM 0 HA ALA A 95 14.243 -3.346 -4.229 1.00 1.00 H new ATOM 0 HB1 ALA A 95 16.609 -4.063 -4.015 1.00 1.00 H new ATOM 0 HB2 ALA A 95 15.478 -5.391 -3.660 1.00 1.00 H new ATOM 0 HB3 ALA A 95 16.325 -5.336 -5.225 1.00 1.00 H new ATOM 71 N LYS A 96 16.182 -2.009 -5.612 1.00 1.00 N ATOM 72 CA LYS A 96 16.687 -0.817 -6.321 1.00 1.00 C ATOM 73 C LYS A 96 18.212 -0.795 -6.451 1.00 1.00 C ATOM 74 O LYS A 96 18.724 -0.359 -7.477 1.00 1.00 O ATOM 75 CB LYS A 96 16.138 0.434 -5.607 1.00 1.00 C ATOM 76 CG LYS A 96 16.252 1.736 -6.421 1.00 1.00 C ATOM 77 CD LYS A 96 15.565 2.866 -5.633 1.00 1.00 C ATOM 78 CE LYS A 96 15.564 4.231 -6.336 1.00 1.00 C ATOM 79 NZ LYS A 96 14.620 4.282 -7.494 1.00 1.00 N ATOM 0 H LYS A 96 16.717 -2.218 -4.769 1.00 1.00 H new ATOM 0 HA LYS A 96 16.330 -0.839 -7.351 1.00 1.00 H new ATOM 0 HB2 LYS A 96 15.090 0.265 -5.360 1.00 1.00 H new ATOM 0 HB3 LYS A 96 16.671 0.562 -4.665 1.00 1.00 H new ATOM 0 HG2 LYS A 96 17.299 1.981 -6.599 1.00 1.00 H new ATOM 0 HG3 LYS A 96 15.782 1.615 -7.397 1.00 1.00 H new ATOM 0 HD2 LYS A 96 14.534 2.575 -5.432 1.00 1.00 H new ATOM 0 HD3 LYS A 96 16.060 2.970 -4.668 1.00 1.00 H new ATOM 0 HE2 LYS A 96 15.294 5.005 -5.618 1.00 1.00 H new ATOM 0 HE3 LYS A 96 16.572 4.457 -6.684 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 14.659 5.224 -7.932 1.00 1.00 H new ATOM 0 HZ2 LYS A 96 14.891 3.563 -8.195 1.00 1.00 H new ATOM 0 HZ3 LYS A 96 13.653 4.094 -7.162 1.00 1.00 H new ATOM 93 N TYR A 97 18.930 -1.367 -5.487 1.00 1.00 N ATOM 94 CA TYR A 97 20.391 -1.477 -5.489 1.00 1.00 C ATOM 95 C TYR A 97 20.847 -2.883 -5.063 1.00 1.00 C ATOM 96 O TYR A 97 20.118 -3.589 -4.366 1.00 1.00 O ATOM 97 CB TYR A 97 20.986 -0.423 -4.538 1.00 1.00 C ATOM 98 CG TYR A 97 20.347 0.955 -4.597 1.00 1.00 C ATOM 99 CD1 TYR A 97 20.694 1.861 -5.616 1.00 1.00 C ATOM 100 CD2 TYR A 97 19.381 1.323 -3.638 1.00 1.00 C ATOM 101 CE1 TYR A 97 20.066 3.116 -5.691 1.00 1.00 C ATOM 102 CE2 TYR A 97 18.787 2.598 -3.682 1.00 1.00 C ATOM 103 CZ TYR A 97 19.132 3.502 -4.709 1.00 1.00 C ATOM 104 OH TYR A 97 18.567 4.740 -4.763 1.00 1.00 O ATOM 0 H TYR A 97 18.501 -1.779 -4.658 1.00 1.00 H new ATOM 0 HA TYR A 97 20.747 -1.302 -6.504 1.00 1.00 H new ATOM 0 HB2 TYR A 97 20.907 -0.796 -3.517 1.00 1.00 H new ATOM 0 HB3 TYR A 97 22.048 -0.320 -4.759 1.00 1.00 H new ATOM 0 HD1 TYR A 97 21.446 1.591 -6.343 1.00 1.00 H new ATOM 0 HD2 TYR A 97 19.096 0.623 -2.866 1.00 1.00 H new ATOM 0 HE1 TYR A 97 20.300 3.787 -6.504 1.00 1.00 H new ATOM 0 HE2 TYR A 97 18.067 2.885 -2.930 1.00 1.00 H new ATOM 0 HH TYR A 97 17.944 4.848 -4.014 1.00 1.00 H new ATOM 114 N SER A 98 22.063 -3.272 -5.442 1.00 1.00 N ATOM 115 CA SER A 98 22.712 -4.545 -5.102 1.00 1.00 C ATOM 116 C SER A 98 24.207 -4.341 -4.868 1.00 1.00 C ATOM 117 O SER A 98 24.839 -3.544 -5.565 1.00 1.00 O ATOM 118 CB SER A 98 22.524 -5.547 -6.244 1.00 1.00 C ATOM 119 OG SER A 98 23.045 -6.812 -5.896 1.00 1.00 O ATOM 0 H SER A 98 22.656 -2.680 -6.024 1.00 1.00 H new ATOM 0 HA SER A 98 22.253 -4.928 -4.190 1.00 1.00 H new ATOM 0 HB2 SER A 98 21.464 -5.639 -6.482 1.00 1.00 H new ATOM 0 HB3 SER A 98 23.021 -5.179 -7.141 1.00 1.00 H new ATOM 0 HG SER A 98 23.219 -7.329 -6.710 1.00 1.00 H new ATOM 125 N TYR A 99 24.770 -5.060 -3.900 1.00 1.00 N ATOM 126 CA TYR A 99 26.180 -4.964 -3.501 1.00 1.00 C ATOM 127 C TYR A 99 26.801 -6.322 -3.131 1.00 1.00 C ATOM 128 O TYR A 99 26.118 -7.346 -3.052 1.00 1.00 O ATOM 129 CB TYR A 99 26.325 -3.928 -2.375 1.00 1.00 C ATOM 130 CG TYR A 99 25.668 -4.288 -1.056 1.00 1.00 C ATOM 131 CD1 TYR A 99 24.320 -3.951 -0.826 1.00 1.00 C ATOM 132 CD2 TYR A 99 26.417 -4.917 -0.046 1.00 1.00 C ATOM 133 CE1 TYR A 99 23.740 -4.194 0.433 1.00 1.00 C ATOM 134 CE2 TYR A 99 25.843 -5.165 1.215 1.00 1.00 C ATOM 135 CZ TYR A 99 24.505 -4.783 1.463 1.00 1.00 C ATOM 136 OH TYR A 99 23.940 -4.997 2.684 1.00 1.00 O ATOM 0 H TYR A 99 24.248 -5.745 -3.354 1.00 1.00 H new ATOM 0 HA TYR A 99 26.750 -4.626 -4.366 1.00 1.00 H new ATOM 0 HB2 TYR A 99 27.387 -3.760 -2.196 1.00 1.00 H new ATOM 0 HB3 TYR A 99 25.907 -2.983 -2.721 1.00 1.00 H new ATOM 0 HD1 TYR A 99 23.732 -3.506 -1.615 1.00 1.00 H new ATOM 0 HD2 TYR A 99 27.438 -5.211 -0.239 1.00 1.00 H new ATOM 0 HE1 TYR A 99 22.708 -3.930 0.611 1.00 1.00 H new ATOM 0 HE2 TYR A 99 26.422 -5.645 1.990 1.00 1.00 H new ATOM 0 HH TYR A 99 24.598 -5.410 3.281 1.00 1.00 H new ATOM 146 N VAL A 100 28.122 -6.322 -2.912 1.00 1.00 N ATOM 147 CA VAL A 100 28.992 -7.497 -2.762 1.00 1.00 C ATOM 148 C VAL A 100 29.728 -7.533 -1.414 1.00 1.00 C ATOM 149 O VAL A 100 29.693 -6.566 -0.655 1.00 1.00 O ATOM 150 CB VAL A 100 30.018 -7.500 -3.917 1.00 1.00 C ATOM 151 CG1 VAL A 100 29.325 -7.564 -5.281 1.00 1.00 C ATOM 152 CG2 VAL A 100 30.969 -6.295 -3.918 1.00 1.00 C ATOM 0 H VAL A 100 28.644 -5.450 -2.830 1.00 1.00 H new ATOM 0 HA VAL A 100 28.360 -8.385 -2.794 1.00 1.00 H new ATOM 0 HB VAL A 100 30.615 -8.395 -3.744 1.00 1.00 H new ATOM 0 HG11 VAL A 100 30.076 -7.564 -6.071 1.00 1.00 H new ATOM 0 HG12 VAL A 100 28.731 -8.475 -5.345 1.00 1.00 H new ATOM 0 HG13 VAL A 100 28.674 -6.698 -5.400 1.00 1.00 H new ATOM 0 HG21 VAL A 100 31.656 -6.375 -4.760 1.00 1.00 H new ATOM 0 HG22 VAL A 100 30.391 -5.375 -4.007 1.00 1.00 H new ATOM 0 HG23 VAL A 100 31.536 -6.278 -2.987 1.00 1.00 H new ATOM 162 N ASP A 101 30.439 -8.633 -1.140 1.00 1.00 N ATOM 163 CA ASP A 101 31.370 -8.740 0.000 1.00 1.00 C ATOM 164 C ASP A 101 32.680 -9.466 -0.369 1.00 1.00 C ATOM 165 O ASP A 101 33.759 -8.937 -0.098 1.00 1.00 O ATOM 166 CB ASP A 101 30.664 -9.416 1.182 1.00 1.00 C ATOM 167 CG ASP A 101 31.595 -9.559 2.398 1.00 1.00 C ATOM 168 OD1 ASP A 101 31.886 -8.534 3.061 1.00 1.00 O ATOM 169 OD2 ASP A 101 32.020 -10.697 2.708 1.00 1.00 O ATOM 0 H ASP A 101 30.387 -9.482 -1.704 1.00 1.00 H new ATOM 0 HA ASP A 101 31.661 -7.730 0.290 1.00 1.00 H new ATOM 0 HB2 ASP A 101 29.787 -8.833 1.463 1.00 1.00 H new ATOM 0 HB3 ASP A 101 30.309 -10.401 0.878 1.00 1.00 H new ATOM 174 N GLU A 102 32.611 -10.626 -1.041 1.00 1.00 N ATOM 175 CA GLU A 102 33.793 -11.346 -1.533 1.00 1.00 C ATOM 176 C GLU A 102 33.503 -12.181 -2.799 1.00 1.00 C ATOM 177 O GLU A 102 34.112 -11.947 -3.845 1.00 1.00 O ATOM 178 CB GLU A 102 34.333 -12.220 -0.383 1.00 1.00 C ATOM 179 CG GLU A 102 35.542 -13.048 -0.819 1.00 1.00 C ATOM 180 CD GLU A 102 36.190 -13.769 0.380 1.00 1.00 C ATOM 181 OE1 GLU A 102 35.745 -14.889 0.735 1.00 1.00 O ATOM 182 OE2 GLU A 102 37.156 -13.229 0.974 1.00 1.00 O ATOM 0 H GLU A 102 31.730 -11.091 -1.258 1.00 1.00 H new ATOM 0 HA GLU A 102 34.547 -10.621 -1.839 1.00 1.00 H new ATOM 0 HB2 GLU A 102 34.612 -11.584 0.457 1.00 1.00 H new ATOM 0 HB3 GLU A 102 33.545 -12.885 -0.031 1.00 1.00 H new ATOM 0 HG2 GLU A 102 35.233 -13.782 -1.564 1.00 1.00 H new ATOM 0 HG3 GLU A 102 36.277 -12.399 -1.296 1.00 1.00 H new ATOM 189 N ASN A 103 32.580 -13.150 -2.722 1.00 1.00 N ATOM 190 CA ASN A 103 32.346 -14.140 -3.783 1.00 1.00 C ATOM 191 C ASN A 103 31.524 -13.626 -4.988 1.00 1.00 C ATOM 192 O ASN A 103 31.525 -14.260 -6.046 1.00 1.00 O ATOM 193 CB ASN A 103 31.695 -15.394 -3.163 1.00 1.00 C ATOM 194 CG ASN A 103 30.237 -15.198 -2.760 1.00 1.00 C ATOM 195 OD1 ASN A 103 29.889 -14.300 -2.008 1.00 1.00 O ATOM 196 ND2 ASN A 103 29.334 -16.021 -3.250 1.00 1.00 N ATOM 0 H ASN A 103 31.969 -13.270 -1.914 1.00 1.00 H new ATOM 0 HA ASN A 103 33.322 -14.377 -4.206 1.00 1.00 H new ATOM 0 HB2 ASN A 103 31.757 -16.215 -3.878 1.00 1.00 H new ATOM 0 HB3 ASN A 103 32.268 -15.692 -2.285 1.00 1.00 H new ATOM 0 HD21 ASN A 103 28.351 -15.907 -3.001 1.00 1.00 H new ATOM 0 HD22 ASN A 103 29.617 -16.773 -3.878 1.00 1.00 H new ATOM 203 N GLY A 104 30.797 -12.515 -4.827 1.00 1.00 N ATOM 204 CA GLY A 104 29.847 -11.982 -5.814 1.00 1.00 C ATOM 205 C GLY A 104 28.774 -11.105 -5.166 1.00 1.00 C ATOM 206 O GLY A 104 28.927 -10.679 -4.018 1.00 1.00 O ATOM 0 H GLY A 104 30.854 -11.945 -3.983 1.00 1.00 H new ATOM 0 HA2 GLY A 104 30.388 -11.400 -6.560 1.00 1.00 H new ATOM 0 HA3 GLY A 104 29.370 -12.809 -6.340 1.00 1.00 H new ATOM 210 N GLU A 105 27.686 -10.825 -5.894 1.00 1.00 N ATOM 211 CA GLU A 105 26.486 -10.176 -5.338 1.00 1.00 C ATOM 212 C GLU A 105 26.004 -10.903 -4.078 1.00 1.00 C ATOM 213 O GLU A 105 25.779 -12.118 -4.093 1.00 1.00 O ATOM 214 CB GLU A 105 25.348 -10.092 -6.361 1.00 1.00 C ATOM 215 CG GLU A 105 25.649 -9.105 -7.495 1.00 1.00 C ATOM 216 CD GLU A 105 24.426 -8.961 -8.423 1.00 1.00 C ATOM 217 OE1 GLU A 105 23.505 -8.172 -8.091 1.00 1.00 O ATOM 218 OE2 GLU A 105 24.379 -9.627 -9.487 1.00 1.00 O ATOM 0 H GLU A 105 27.610 -11.042 -6.888 1.00 1.00 H new ATOM 0 HA GLU A 105 26.773 -9.158 -5.074 1.00 1.00 H new ATOM 0 HB2 GLU A 105 25.169 -11.081 -6.783 1.00 1.00 H new ATOM 0 HB3 GLU A 105 24.431 -9.790 -5.855 1.00 1.00 H new ATOM 0 HG2 GLU A 105 25.914 -8.133 -7.079 1.00 1.00 H new ATOM 0 HG3 GLU A 105 26.509 -9.451 -8.068 1.00 1.00 H new ATOM 225 N THR A 106 25.855 -10.147 -2.986 1.00 1.00 N ATOM 226 CA THR A 106 25.611 -10.686 -1.648 1.00 1.00 C ATOM 227 C THR A 106 24.267 -10.252 -1.059 1.00 1.00 C ATOM 228 O THR A 106 23.553 -11.089 -0.499 1.00 1.00 O ATOM 229 CB THR A 106 26.794 -10.411 -0.698 1.00 1.00 C ATOM 230 OG1 THR A 106 26.776 -11.362 0.347 1.00 1.00 O ATOM 231 CG2 THR A 106 26.810 -9.025 -0.041 1.00 1.00 C ATOM 0 H THR A 106 25.902 -9.128 -3.009 1.00 1.00 H new ATOM 0 HA THR A 106 25.538 -11.768 -1.761 1.00 1.00 H new ATOM 0 HB THR A 106 27.678 -10.471 -1.332 1.00 1.00 H new ATOM 0 HG1 THR A 106 27.526 -11.195 0.955 1.00 1.00 H new ATOM 0 HG21 THR A 106 27.683 -8.939 0.606 1.00 1.00 H new ATOM 0 HG22 THR A 106 26.853 -8.257 -0.813 1.00 1.00 H new ATOM 0 HG23 THR A 106 25.905 -8.893 0.552 1.00 1.00 H new ATOM 239 N LYS A 107 23.881 -8.975 -1.234 1.00 1.00 N ATOM 240 CA LYS A 107 22.658 -8.372 -0.664 1.00 1.00 C ATOM 241 C LYS A 107 22.123 -7.232 -1.541 1.00 1.00 C ATOM 242 O LYS A 107 22.841 -6.680 -2.375 1.00 1.00 O ATOM 243 CB LYS A 107 22.944 -7.853 0.763 1.00 1.00 C ATOM 244 CG LYS A 107 22.972 -8.963 1.826 1.00 1.00 C ATOM 245 CD LYS A 107 23.107 -8.393 3.246 1.00 1.00 C ATOM 246 CE LYS A 107 23.078 -9.539 4.269 1.00 1.00 C ATOM 247 NZ LYS A 107 23.190 -9.041 5.667 1.00 1.00 N ATOM 0 H LYS A 107 24.424 -8.315 -1.790 1.00 1.00 H new ATOM 0 HA LYS A 107 21.892 -9.146 -0.625 1.00 1.00 H new ATOM 0 HB2 LYS A 107 23.902 -7.333 0.767 1.00 1.00 H new ATOM 0 HB3 LYS A 107 22.183 -7.121 1.034 1.00 1.00 H new ATOM 0 HG2 LYS A 107 22.059 -9.554 1.757 1.00 1.00 H new ATOM 0 HG3 LYS A 107 23.804 -9.637 1.625 1.00 1.00 H new ATOM 0 HD2 LYS A 107 24.039 -7.835 3.337 1.00 1.00 H new ATOM 0 HD3 LYS A 107 22.295 -7.693 3.446 1.00 1.00 H new ATOM 0 HE2 LYS A 107 22.151 -10.101 4.158 1.00 1.00 H new ATOM 0 HE3 LYS A 107 23.896 -10.229 4.063 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 23.166 -9.846 6.325 1.00 1.00 H new ATOM 0 HZ2 LYS A 107 24.086 -8.526 5.781 1.00 1.00 H new ATOM 0 HZ3 LYS A 107 22.395 -8.402 5.873 1.00 1.00 H new ATOM 261 N THR A 108 20.865 -6.858 -1.313 1.00 1.00 N ATOM 262 CA THR A 108 20.125 -5.824 -2.063 1.00 1.00 C ATOM 263 C THR A 108 19.410 -4.832 -1.136 1.00 1.00 C ATOM 264 O THR A 108 19.235 -5.088 0.059 1.00 1.00 O ATOM 265 CB THR A 108 19.099 -6.460 -3.019 1.00 1.00 C ATOM 266 OG1 THR A 108 18.178 -7.255 -2.294 1.00 1.00 O ATOM 267 CG2 THR A 108 19.750 -7.357 -4.069 1.00 1.00 C ATOM 0 H THR A 108 20.304 -7.279 -0.573 1.00 1.00 H new ATOM 0 HA THR A 108 20.868 -5.274 -2.641 1.00 1.00 H new ATOM 0 HB THR A 108 18.600 -5.631 -3.521 1.00 1.00 H new ATOM 0 HG1 THR A 108 17.530 -7.652 -2.913 1.00 1.00 H new ATOM 0 HG21 THR A 108 18.980 -7.778 -4.715 1.00 1.00 H new ATOM 0 HG22 THR A 108 20.446 -6.770 -4.669 1.00 1.00 H new ATOM 0 HG23 THR A 108 20.290 -8.164 -3.574 1.00 1.00 H new ATOM 275 N TRP A 109 19.005 -3.678 -1.685 1.00 1.00 N ATOM 276 CA TRP A 109 18.384 -2.573 -0.941 1.00 1.00 C ATOM 277 C TRP A 109 17.393 -1.779 -1.807 1.00 1.00 C ATOM 278 O TRP A 109 17.472 -1.801 -3.033 1.00 1.00 O ATOM 279 CB TRP A 109 19.508 -1.672 -0.395 1.00 1.00 C ATOM 280 CG TRP A 109 19.097 -0.525 0.481 1.00 1.00 C ATOM 281 CD1 TRP A 109 18.234 -0.593 1.523 1.00 1.00 C ATOM 282 CD2 TRP A 109 19.573 0.860 0.457 1.00 1.00 C ATOM 283 NE1 TRP A 109 18.107 0.652 2.104 1.00 1.00 N ATOM 284 CE2 TRP A 109 18.942 1.576 1.520 1.00 1.00 C ATOM 285 CE3 TRP A 109 20.498 1.578 -0.332 1.00 1.00 C ATOM 286 CZ2 TRP A 109 19.217 2.923 1.793 1.00 1.00 C ATOM 287 CZ3 TRP A 109 20.777 2.935 -0.071 1.00 1.00 C ATOM 288 CH2 TRP A 109 20.146 3.607 0.992 1.00 1.00 C ATOM 0 H TRP A 109 19.102 -3.483 -2.681 1.00 1.00 H new ATOM 0 HA TRP A 109 17.798 -2.977 -0.115 1.00 1.00 H new ATOM 0 HB2 TRP A 109 20.200 -2.298 0.169 1.00 1.00 H new ATOM 0 HB3 TRP A 109 20.061 -1.269 -1.243 1.00 1.00 H new ATOM 0 HD1 TRP A 109 17.723 -1.487 1.850 1.00 1.00 H new ATOM 0 HE1 TRP A 109 17.471 0.862 2.873 1.00 1.00 H new ATOM 0 HE3 TRP A 109 21.000 1.080 -1.148 1.00 1.00 H new ATOM 0 HZ2 TRP A 109 18.721 3.428 2.609 1.00 1.00 H new ATOM 0 HZ3 TRP A 109 21.483 3.465 -0.694 1.00 1.00 H new ATOM 0 HH2 TRP A 109 20.375 4.644 1.191 1.00 1.00 H new ATOM 299 N THR A 110 16.460 -1.068 -1.173 1.00 1.00 N ATOM 300 CA THR A 110 15.358 -0.316 -1.808 1.00 1.00 C ATOM 301 C THR A 110 15.522 1.209 -1.723 1.00 1.00 C ATOM 302 O THR A 110 14.817 1.939 -2.417 1.00 1.00 O ATOM 303 CB THR A 110 14.036 -0.657 -1.102 1.00 1.00 C ATOM 304 OG1 THR A 110 14.197 -0.367 0.272 1.00 1.00 O ATOM 305 CG2 THR A 110 13.652 -2.129 -1.233 1.00 1.00 C ATOM 0 H THR A 110 16.444 -0.992 -0.156 1.00 1.00 H new ATOM 0 HA THR A 110 15.366 -0.607 -2.858 1.00 1.00 H new ATOM 0 HB THR A 110 13.246 -0.070 -1.569 1.00 1.00 H new ATOM 0 HG1 THR A 110 13.366 -0.574 0.749 1.00 1.00 H new ATOM 0 HG21 THR A 110 12.710 -2.307 -0.714 1.00 1.00 H new ATOM 0 HG22 THR A 110 13.539 -2.383 -2.287 1.00 1.00 H new ATOM 0 HG23 THR A 110 14.432 -2.749 -0.792 1.00 1.00 H new ATOM 313 N GLY A 111 16.421 1.694 -0.860 1.00 1.00 N ATOM 314 CA GLY A 111 16.560 3.112 -0.494 1.00 1.00 C ATOM 315 C GLY A 111 15.871 3.477 0.831 1.00 1.00 C ATOM 316 O GLY A 111 16.081 4.576 1.348 1.00 1.00 O ATOM 0 H GLY A 111 17.093 1.095 -0.381 1.00 1.00 H new ATOM 0 HA2 GLY A 111 17.620 3.358 -0.422 1.00 1.00 H new ATOM 0 HA3 GLY A 111 16.143 3.727 -1.292 1.00 1.00 H new ATOM 320 N GLN A 112 15.048 2.577 1.392 1.00 1.00 N ATOM 321 CA GLN A 112 14.348 2.771 2.666 1.00 1.00 C ATOM 322 C GLN A 112 15.294 2.582 3.872 1.00 1.00 C ATOM 323 O GLN A 112 16.111 1.658 3.895 1.00 1.00 O ATOM 324 CB GLN A 112 13.174 1.778 2.717 1.00 1.00 C ATOM 325 CG GLN A 112 12.219 2.039 3.890 1.00 1.00 C ATOM 326 CD GLN A 112 11.012 1.096 3.887 1.00 1.00 C ATOM 327 OE1 GLN A 112 10.334 0.896 2.886 1.00 1.00 O ATOM 328 NE2 GLN A 112 10.686 0.476 5.004 1.00 1.00 N ATOM 0 H GLN A 112 14.848 1.675 0.960 1.00 1.00 H new ATOM 0 HA GLN A 112 13.977 3.794 2.728 1.00 1.00 H new ATOM 0 HB2 GLN A 112 12.616 1.835 1.782 1.00 1.00 H new ATOM 0 HB3 GLN A 112 13.566 0.764 2.793 1.00 1.00 H new ATOM 0 HG2 GLN A 112 12.762 1.925 4.828 1.00 1.00 H new ATOM 0 HG3 GLN A 112 11.870 3.071 3.847 1.00 1.00 H new ATOM 0 HE21 GLN A 112 11.236 0.627 5.850 1.00 1.00 H new ATOM 0 HE22 GLN A 112 9.884 -0.154 5.022 1.00 1.00 H new ATOM 337 N GLY A 113 15.142 3.416 4.906 1.00 1.00 N ATOM 338 CA GLY A 113 15.893 3.306 6.164 1.00 1.00 C ATOM 339 C GLY A 113 17.387 3.662 6.051 1.00 1.00 C ATOM 340 O GLY A 113 17.834 4.287 5.083 1.00 1.00 O ATOM 0 H GLY A 113 14.486 4.197 4.894 1.00 1.00 H new ATOM 0 HA2 GLY A 113 15.432 3.959 6.905 1.00 1.00 H new ATOM 0 HA3 GLY A 113 15.803 2.286 6.538 1.00 1.00 H new ATOM 344 N ARG A 114 18.162 3.280 7.077 1.00 1.00 N ATOM 345 CA ARG A 114 19.620 3.494 7.171 1.00 1.00 C ATOM 346 C ARG A 114 20.375 2.846 5.994 1.00 1.00 C ATOM 347 O ARG A 114 20.152 1.675 5.678 1.00 1.00 O ATOM 348 CB ARG A 114 20.099 2.946 8.529 1.00 1.00 C ATOM 349 CG ARG A 114 21.561 3.284 8.855 1.00 1.00 C ATOM 350 CD ARG A 114 21.929 2.733 10.240 1.00 1.00 C ATOM 351 NE ARG A 114 23.308 3.096 10.627 1.00 1.00 N ATOM 352 CZ ARG A 114 23.925 2.754 11.747 1.00 1.00 C ATOM 353 NH1 ARG A 114 23.354 2.005 12.650 1.00 1.00 N ATOM 354 NH2 ARG A 114 25.138 3.164 11.989 1.00 1.00 N ATOM 0 H ARG A 114 17.782 2.798 7.892 1.00 1.00 H new ATOM 0 HA ARG A 114 19.836 4.561 7.108 1.00 1.00 H new ATOM 0 HB2 ARG A 114 19.460 3.345 9.317 1.00 1.00 H new ATOM 0 HB3 ARG A 114 19.976 1.863 8.537 1.00 1.00 H new ATOM 0 HG2 ARG A 114 22.219 2.858 8.098 1.00 1.00 H new ATOM 0 HG3 ARG A 114 21.707 4.364 8.833 1.00 1.00 H new ATOM 0 HD2 ARG A 114 21.230 3.119 10.982 1.00 1.00 H new ATOM 0 HD3 ARG A 114 21.826 1.648 10.239 1.00 1.00 H new ATOM 0 HE ARG A 114 23.836 3.666 9.966 1.00 1.00 H new ATOM 0 HH11 ARG A 114 22.404 1.664 12.504 1.00 1.00 H new ATOM 0 HH12 ARG A 114 23.858 1.760 13.502 1.00 1.00 H new ATOM 0 HH21 ARG A 114 25.621 3.754 11.312 1.00 1.00 H new ATOM 0 HH22 ARG A 114 25.604 2.895 12.855 1.00 1.00 H new ATOM 368 N THR A 115 21.292 3.598 5.377 1.00 1.00 N ATOM 369 CA THR A 115 22.144 3.137 4.262 1.00 1.00 C ATOM 370 C THR A 115 22.961 1.887 4.647 1.00 1.00 C ATOM 371 O THR A 115 23.624 1.919 5.690 1.00 1.00 O ATOM 372 CB THR A 115 23.104 4.263 3.832 1.00 1.00 C ATOM 373 OG1 THR A 115 22.363 5.436 3.566 1.00 1.00 O ATOM 374 CG2 THR A 115 23.881 3.926 2.559 1.00 1.00 C ATOM 0 H THR A 115 21.471 4.567 5.640 1.00 1.00 H new ATOM 0 HA THR A 115 21.487 2.872 3.434 1.00 1.00 H new ATOM 0 HB THR A 115 23.810 4.396 4.651 1.00 1.00 H new ATOM 0 HG1 THR A 115 22.973 6.153 3.294 1.00 1.00 H new ATOM 0 HG21 THR A 115 24.541 4.756 2.305 1.00 1.00 H new ATOM 0 HG22 THR A 115 24.475 3.027 2.723 1.00 1.00 H new ATOM 0 HG23 THR A 115 23.182 3.755 1.741 1.00 1.00 H new ATOM 382 N PRO A 116 22.954 0.796 3.848 1.00 1.00 N ATOM 383 CA PRO A 116 23.763 -0.400 4.101 1.00 1.00 C ATOM 384 C PRO A 116 25.259 -0.094 4.233 1.00 1.00 C ATOM 385 O PRO A 116 25.778 0.773 3.530 1.00 1.00 O ATOM 386 CB PRO A 116 23.504 -1.341 2.919 1.00 1.00 C ATOM 387 CG PRO A 116 22.148 -0.897 2.376 1.00 1.00 C ATOM 388 CD PRO A 116 22.113 0.598 2.679 1.00 1.00 C ATOM 0 HA PRO A 116 23.479 -0.846 5.054 1.00 1.00 H new ATOM 0 HB2 PRO A 116 24.284 -1.254 2.162 1.00 1.00 H new ATOM 0 HB3 PRO A 116 23.484 -2.383 3.237 1.00 1.00 H new ATOM 0 HG2 PRO A 116 22.061 -1.092 1.307 1.00 1.00 H new ATOM 0 HG3 PRO A 116 21.328 -1.424 2.864 1.00 1.00 H new ATOM 0 HD2 PRO A 116 22.483 1.175 1.832 1.00 1.00 H new ATOM 0 HD3 PRO A 116 21.094 0.932 2.872 1.00 1.00 H new ATOM 396 N ALA A 117 25.974 -0.837 5.085 1.00 1.00 N ATOM 397 CA ALA A 117 27.373 -0.558 5.432 1.00 1.00 C ATOM 398 C ALA A 117 28.309 -0.472 4.213 1.00 1.00 C ATOM 399 O ALA A 117 29.079 0.478 4.096 1.00 1.00 O ATOM 400 CB ALA A 117 27.843 -1.615 6.439 1.00 1.00 C ATOM 0 H ALA A 117 25.594 -1.657 5.558 1.00 1.00 H new ATOM 0 HA ALA A 117 27.419 0.435 5.880 1.00 1.00 H new ATOM 0 HB1 ALA A 117 28.882 -1.424 6.709 1.00 1.00 H new ATOM 0 HB2 ALA A 117 27.221 -1.568 7.333 1.00 1.00 H new ATOM 0 HB3 ALA A 117 27.761 -2.606 5.992 1.00 1.00 H new ATOM 406 N VAL A 118 28.200 -1.401 3.254 1.00 1.00 N ATOM 407 CA VAL A 118 29.033 -1.392 2.032 1.00 1.00 C ATOM 408 C VAL A 118 28.716 -0.185 1.142 1.00 1.00 C ATOM 409 O VAL A 118 29.633 0.472 0.654 1.00 1.00 O ATOM 410 CB VAL A 118 28.895 -2.711 1.244 1.00 1.00 C ATOM 411 CG1 VAL A 118 29.732 -2.736 -0.042 1.00 1.00 C ATOM 412 CG2 VAL A 118 29.341 -3.910 2.096 1.00 1.00 C ATOM 0 H VAL A 118 27.539 -2.177 3.297 1.00 1.00 H new ATOM 0 HA VAL A 118 30.071 -1.303 2.352 1.00 1.00 H new ATOM 0 HB VAL A 118 27.838 -2.778 0.985 1.00 1.00 H new ATOM 0 HG11 VAL A 118 29.591 -3.690 -0.549 1.00 1.00 H new ATOM 0 HG12 VAL A 118 29.415 -1.926 -0.698 1.00 1.00 H new ATOM 0 HG13 VAL A 118 30.786 -2.610 0.207 1.00 1.00 H new ATOM 0 HG21 VAL A 118 29.234 -4.827 1.517 1.00 1.00 H new ATOM 0 HG22 VAL A 118 30.384 -3.783 2.385 1.00 1.00 H new ATOM 0 HG23 VAL A 118 28.722 -3.971 2.991 1.00 1.00 H new ATOM 422 N ILE A 119 27.432 0.163 0.985 1.00 1.00 N ATOM 423 CA ILE A 119 26.999 1.355 0.229 1.00 1.00 C ATOM 424 C ILE A 119 27.542 2.634 0.893 1.00 1.00 C ATOM 425 O ILE A 119 28.131 3.484 0.226 1.00 1.00 O ATOM 426 CB ILE A 119 25.454 1.394 0.109 1.00 1.00 C ATOM 427 CG1 ILE A 119 24.846 0.134 -0.556 1.00 1.00 C ATOM 428 CG2 ILE A 119 24.989 2.654 -0.639 1.00 1.00 C ATOM 429 CD1 ILE A 119 25.249 -0.107 -2.016 1.00 1.00 C ATOM 0 H ILE A 119 26.659 -0.373 1.378 1.00 1.00 H new ATOM 0 HA ILE A 119 27.408 1.299 -0.780 1.00 1.00 H new ATOM 0 HB ILE A 119 25.085 1.417 1.134 1.00 1.00 H new ATOM 0 HG12 ILE A 119 25.134 -0.739 0.030 1.00 1.00 H new ATOM 0 HG13 ILE A 119 23.760 0.207 -0.505 1.00 1.00 H new ATOM 0 HG21 ILE A 119 23.901 2.655 -0.709 1.00 1.00 H new ATOM 0 HG22 ILE A 119 25.319 3.541 -0.098 1.00 1.00 H new ATOM 0 HG23 ILE A 119 25.417 2.661 -1.642 1.00 1.00 H new ATOM 0 HD11 ILE A 119 24.767 -1.014 -2.381 1.00 1.00 H new ATOM 0 HD12 ILE A 119 24.935 0.741 -2.625 1.00 1.00 H new ATOM 0 HD13 ILE A 119 26.331 -0.220 -2.081 1.00 1.00 H new ATOM 441 N LYS A 120 27.429 2.735 2.226 1.00 1.00 N ATOM 442 CA LYS A 120 27.963 3.841 3.042 1.00 1.00 C ATOM 443 C LYS A 120 29.475 3.991 2.860 1.00 1.00 C ATOM 444 O LYS A 120 29.957 5.075 2.530 1.00 1.00 O ATOM 445 CB LYS A 120 27.543 3.598 4.508 1.00 1.00 C ATOM 446 CG LYS A 120 28.315 4.442 5.535 1.00 1.00 C ATOM 447 CD LYS A 120 27.750 4.228 6.947 1.00 1.00 C ATOM 448 CE LYS A 120 28.601 4.880 8.049 1.00 1.00 C ATOM 449 NZ LYS A 120 28.616 6.368 7.976 1.00 1.00 N ATOM 0 H LYS A 120 26.949 2.029 2.785 1.00 1.00 H new ATOM 0 HA LYS A 120 27.546 4.794 2.716 1.00 1.00 H new ATOM 0 HB2 LYS A 120 26.478 3.809 4.608 1.00 1.00 H new ATOM 0 HB3 LYS A 120 27.683 2.543 4.744 1.00 1.00 H new ATOM 0 HG2 LYS A 120 29.371 4.172 5.515 1.00 1.00 H new ATOM 0 HG3 LYS A 120 28.251 5.497 5.268 1.00 1.00 H new ATOM 0 HD2 LYS A 120 26.739 4.633 6.991 1.00 1.00 H new ATOM 0 HD3 LYS A 120 27.674 3.158 7.142 1.00 1.00 H new ATOM 0 HE2 LYS A 120 28.219 4.574 9.023 1.00 1.00 H new ATOM 0 HE3 LYS A 120 29.623 4.509 7.977 1.00 1.00 H new ATOM 0 HZ1 LYS A 120 28.768 6.761 8.927 1.00 1.00 H new ATOM 0 HZ2 LYS A 120 29.384 6.677 7.347 1.00 1.00 H new ATOM 0 HZ3 LYS A 120 27.706 6.706 7.603 1.00 1.00 H new ATOM 463 N LYS A 121 30.229 2.896 3.003 1.00 1.00 N ATOM 464 CA LYS A 121 31.692 2.901 2.830 1.00 1.00 C ATOM 465 C LYS A 121 32.120 3.222 1.395 1.00 1.00 C ATOM 466 O LYS A 121 33.083 3.957 1.208 1.00 1.00 O ATOM 467 CB LYS A 121 32.310 1.578 3.317 1.00 1.00 C ATOM 468 CG LYS A 121 32.303 1.374 4.845 1.00 1.00 C ATOM 469 CD LYS A 121 32.870 2.572 5.630 1.00 1.00 C ATOM 470 CE LYS A 121 33.453 2.185 6.996 1.00 1.00 C ATOM 471 NZ LYS A 121 34.805 1.569 6.864 1.00 1.00 N ATOM 0 H LYS A 121 29.847 1.981 3.241 1.00 1.00 H new ATOM 0 HA LYS A 121 32.078 3.709 3.452 1.00 1.00 H new ATOM 0 HB2 LYS A 121 31.771 0.751 2.854 1.00 1.00 H new ATOM 0 HB3 LYS A 121 33.340 1.525 2.964 1.00 1.00 H new ATOM 0 HG2 LYS A 121 31.281 1.186 5.173 1.00 1.00 H new ATOM 0 HG3 LYS A 121 32.884 0.484 5.087 1.00 1.00 H new ATOM 0 HD2 LYS A 121 33.647 3.052 5.035 1.00 1.00 H new ATOM 0 HD3 LYS A 121 32.079 3.308 5.776 1.00 1.00 H new ATOM 0 HE2 LYS A 121 33.517 3.070 7.629 1.00 1.00 H new ATOM 0 HE3 LYS A 121 32.781 1.485 7.493 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 35.203 1.398 7.810 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 34.727 0.666 6.353 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 35.430 2.212 6.337 1.00 1.00 H new ATOM 485 N ALA A 122 31.385 2.764 0.385 1.00 1.00 N ATOM 486 CA ALA A 122 31.630 3.143 -1.004 1.00 1.00 C ATOM 487 C ALA A 122 31.436 4.655 -1.237 1.00 1.00 C ATOM 488 O ALA A 122 32.268 5.295 -1.877 1.00 1.00 O ATOM 489 CB ALA A 122 30.716 2.306 -1.899 1.00 1.00 C ATOM 0 H ALA A 122 30.603 2.120 0.506 1.00 1.00 H new ATOM 0 HA ALA A 122 32.671 2.940 -1.255 1.00 1.00 H new ATOM 0 HB1 ALA A 122 30.883 2.574 -2.942 1.00 1.00 H new ATOM 0 HB2 ALA A 122 30.936 1.248 -1.756 1.00 1.00 H new ATOM 0 HB3 ALA A 122 29.675 2.498 -1.638 1.00 1.00 H new ATOM 495 N MET A 123 30.379 5.244 -0.673 1.00 1.00 N ATOM 496 CA MET A 123 30.125 6.686 -0.753 1.00 1.00 C ATOM 497 C MET A 123 31.196 7.524 -0.031 1.00 1.00 C ATOM 498 O MET A 123 31.612 8.558 -0.557 1.00 1.00 O ATOM 499 CB MET A 123 28.725 7.007 -0.202 1.00 1.00 C ATOM 500 CG MET A 123 27.615 6.486 -1.125 1.00 1.00 C ATOM 501 SD MET A 123 25.935 6.579 -0.441 1.00 1.00 S ATOM 502 CE MET A 123 25.677 8.377 -0.437 1.00 1.00 C ATOM 0 H MET A 123 29.672 4.733 -0.145 1.00 1.00 H new ATOM 0 HA MET A 123 30.174 6.961 -1.806 1.00 1.00 H new ATOM 0 HB2 MET A 123 28.613 6.563 0.787 1.00 1.00 H new ATOM 0 HB3 MET A 123 28.621 8.085 -0.081 1.00 1.00 H new ATOM 0 HG2 MET A 123 27.643 7.052 -2.056 1.00 1.00 H new ATOM 0 HG3 MET A 123 27.831 5.448 -1.377 1.00 1.00 H new ATOM 0 HE1 MET A 123 24.686 8.601 -0.043 1.00 1.00 H new ATOM 0 HE2 MET A 123 26.432 8.852 0.189 1.00 1.00 H new ATOM 0 HE3 MET A 123 25.758 8.758 -1.455 1.00 1.00 H new ATOM 512 N GLU A 124 31.668 7.090 1.147 1.00 1.00 N ATOM 513 CA GLU A 124 32.564 7.889 2.001 1.00 1.00 C ATOM 514 C GLU A 124 34.071 7.614 1.823 1.00 1.00 C ATOM 515 O GLU A 124 34.871 8.541 1.972 1.00 1.00 O ATOM 516 CB GLU A 124 32.175 7.726 3.481 1.00 1.00 C ATOM 517 CG GLU A 124 30.806 8.348 3.784 1.00 1.00 C ATOM 518 CD GLU A 124 30.569 8.433 5.302 1.00 1.00 C ATOM 519 OE1 GLU A 124 30.070 7.449 5.901 1.00 1.00 O ATOM 520 OE2 GLU A 124 30.871 9.487 5.915 1.00 1.00 O ATOM 0 H GLU A 124 31.440 6.175 1.536 1.00 1.00 H new ATOM 0 HA GLU A 124 32.419 8.917 1.669 1.00 1.00 H new ATOM 0 HB2 GLU A 124 32.157 6.667 3.737 1.00 1.00 H new ATOM 0 HB3 GLU A 124 32.933 8.193 4.109 1.00 1.00 H new ATOM 0 HG2 GLU A 124 30.749 9.345 3.346 1.00 1.00 H new ATOM 0 HG3 GLU A 124 30.020 7.751 3.321 1.00 1.00 H new ATOM 527 N GLU A 125 34.479 6.384 1.481 1.00 1.00 N ATOM 528 CA GLU A 125 35.895 5.988 1.335 1.00 1.00 C ATOM 529 C GLU A 125 36.323 5.670 -0.111 1.00 1.00 C ATOM 530 O GLU A 125 37.523 5.688 -0.405 1.00 1.00 O ATOM 531 CB GLU A 125 36.240 4.815 2.270 1.00 1.00 C ATOM 532 CG GLU A 125 36.091 5.171 3.756 1.00 1.00 C ATOM 533 CD GLU A 125 36.878 4.189 4.651 1.00 1.00 C ATOM 534 OE1 GLU A 125 38.099 4.402 4.861 1.00 1.00 O ATOM 535 OE2 GLU A 125 36.285 3.212 5.172 1.00 1.00 O ATOM 0 H GLU A 125 33.828 5.621 1.294 1.00 1.00 H new ATOM 0 HA GLU A 125 36.468 6.868 1.626 1.00 1.00 H new ATOM 0 HB2 GLU A 125 35.593 3.969 2.038 1.00 1.00 H new ATOM 0 HB3 GLU A 125 37.264 4.494 2.079 1.00 1.00 H new ATOM 0 HG2 GLU A 125 36.448 6.187 3.926 1.00 1.00 H new ATOM 0 HG3 GLU A 125 35.037 5.153 4.032 1.00 1.00 H new ATOM 542 N GLN A 126 35.372 5.448 -1.032 1.00 1.00 N ATOM 543 CA GLN A 126 35.636 5.321 -2.480 1.00 1.00 C ATOM 544 C GLN A 126 35.063 6.499 -3.300 1.00 1.00 C ATOM 545 O GLN A 126 35.277 6.567 -4.511 1.00 1.00 O ATOM 546 CB GLN A 126 35.130 3.965 -3.013 1.00 1.00 C ATOM 547 CG GLN A 126 35.714 2.749 -2.268 1.00 1.00 C ATOM 548 CD GLN A 126 35.316 1.405 -2.888 1.00 1.00 C ATOM 549 OE1 GLN A 126 34.448 1.293 -3.746 1.00 1.00 O ATOM 550 NE2 GLN A 126 35.945 0.322 -2.481 1.00 1.00 N ATOM 0 H GLN A 126 34.385 5.350 -0.793 1.00 1.00 H new ATOM 0 HA GLN A 126 36.718 5.359 -2.608 1.00 1.00 H new ATOM 0 HB2 GLN A 126 34.043 3.938 -2.938 1.00 1.00 H new ATOM 0 HB3 GLN A 126 35.379 3.885 -4.071 1.00 1.00 H new ATOM 0 HG2 GLN A 126 36.801 2.827 -2.256 1.00 1.00 H new ATOM 0 HG3 GLN A 126 35.382 2.774 -1.230 1.00 1.00 H new ATOM 0 HE21 GLN A 126 36.671 0.392 -1.768 1.00 1.00 H new ATOM 0 HE22 GLN A 126 35.706 -0.586 -2.879 1.00 1.00 H new ATOM 559 N GLY A 127 34.352 7.441 -2.659 1.00 1.00 N ATOM 560 CA GLY A 127 33.752 8.620 -3.305 1.00 1.00 C ATOM 561 C GLY A 127 32.635 8.310 -4.315 1.00 1.00 C ATOM 562 O GLY A 127 32.328 9.155 -5.163 1.00 1.00 O ATOM 0 H GLY A 127 34.174 7.403 -1.655 1.00 1.00 H new ATOM 0 HA2 GLY A 127 33.350 9.274 -2.531 1.00 1.00 H new ATOM 0 HA3 GLY A 127 34.539 9.176 -3.815 1.00 1.00 H new ATOM 566 N LYS A 128 32.059 7.098 -4.277 1.00 1.00 N ATOM 567 CA LYS A 128 31.041 6.622 -5.232 1.00 1.00 C ATOM 568 C LYS A 128 29.662 7.269 -5.029 1.00 1.00 C ATOM 569 O LYS A 128 29.391 7.917 -4.018 1.00 1.00 O ATOM 570 CB LYS A 128 30.950 5.083 -5.154 1.00 1.00 C ATOM 571 CG LYS A 128 32.141 4.424 -5.859 1.00 1.00 C ATOM 572 CD LYS A 128 32.032 2.898 -5.806 1.00 1.00 C ATOM 573 CE LYS A 128 33.019 2.260 -6.792 1.00 1.00 C ATOM 574 NZ LYS A 128 32.880 0.780 -6.809 1.00 1.00 N ATOM 0 H LYS A 128 32.292 6.405 -3.566 1.00 1.00 H new ATOM 0 HA LYS A 128 31.360 6.926 -6.229 1.00 1.00 H new ATOM 0 HB2 LYS A 128 30.922 4.770 -4.110 1.00 1.00 H new ATOM 0 HB3 LYS A 128 30.020 4.747 -5.613 1.00 1.00 H new ATOM 0 HG2 LYS A 128 32.182 4.754 -6.897 1.00 1.00 H new ATOM 0 HG3 LYS A 128 33.070 4.743 -5.386 1.00 1.00 H new ATOM 0 HD2 LYS A 128 32.239 2.547 -4.795 1.00 1.00 H new ATOM 0 HD3 LYS A 128 31.015 2.590 -6.049 1.00 1.00 H new ATOM 0 HE2 LYS A 128 32.845 2.656 -7.793 1.00 1.00 H new ATOM 0 HE3 LYS A 128 34.038 2.529 -6.516 1.00 1.00 H new ATOM 0 HZ1 LYS A 128 33.655 0.365 -7.364 1.00 1.00 H new ATOM 0 HZ2 LYS A 128 32.918 0.417 -5.835 1.00 1.00 H new ATOM 0 HZ3 LYS A 128 31.969 0.522 -7.239 1.00 1.00 H new ATOM 588 N GLN A 129 28.771 7.014 -5.986 1.00 1.00 N ATOM 589 CA GLN A 129 27.342 7.337 -5.934 1.00 1.00 C ATOM 590 C GLN A 129 26.509 6.063 -6.165 1.00 1.00 C ATOM 591 O GLN A 129 27.020 5.045 -6.634 1.00 1.00 O ATOM 592 CB GLN A 129 27.019 8.435 -6.965 1.00 1.00 C ATOM 593 CG GLN A 129 27.715 9.769 -6.641 1.00 1.00 C ATOM 594 CD GLN A 129 27.311 10.879 -7.612 1.00 1.00 C ATOM 595 OE1 GLN A 129 26.181 11.354 -7.623 1.00 1.00 O ATOM 596 NE2 GLN A 129 28.209 11.347 -8.456 1.00 1.00 N ATOM 0 H GLN A 129 29.035 6.556 -6.858 1.00 1.00 H new ATOM 0 HA GLN A 129 27.084 7.723 -4.948 1.00 1.00 H new ATOM 0 HB2 GLN A 129 27.325 8.100 -7.956 1.00 1.00 H new ATOM 0 HB3 GLN A 129 25.941 8.590 -7.000 1.00 1.00 H new ATOM 0 HG2 GLN A 129 27.466 10.070 -5.623 1.00 1.00 H new ATOM 0 HG3 GLN A 129 28.796 9.632 -6.677 1.00 1.00 H new ATOM 0 HE21 GLN A 129 29.154 10.963 -8.460 1.00 1.00 H new ATOM 0 HE22 GLN A 129 27.959 12.093 -9.105 1.00 1.00 H new ATOM 605 N LEU A 130 25.214 6.115 -5.838 1.00 1.00 N ATOM 606 CA LEU A 130 24.320 4.946 -5.792 1.00 1.00 C ATOM 607 C LEU A 130 24.177 4.232 -7.146 1.00 1.00 C ATOM 608 O LEU A 130 23.923 3.032 -7.197 1.00 1.00 O ATOM 609 CB LEU A 130 22.931 5.387 -5.287 1.00 1.00 C ATOM 610 CG LEU A 130 22.749 5.761 -3.802 1.00 1.00 C ATOM 611 CD1 LEU A 130 23.202 4.639 -2.869 1.00 1.00 C ATOM 612 CD2 LEU A 130 23.467 7.045 -3.381 1.00 1.00 C ATOM 0 H LEU A 130 24.745 6.987 -5.592 1.00 1.00 H new ATOM 0 HA LEU A 130 24.772 4.227 -5.109 1.00 1.00 H new ATOM 0 HB2 LEU A 130 22.625 6.248 -5.881 1.00 1.00 H new ATOM 0 HB3 LEU A 130 22.231 4.582 -5.510 1.00 1.00 H new ATOM 0 HG LEU A 130 21.676 5.928 -3.708 1.00 1.00 H new ATOM 0 HD11 LEU A 130 23.056 4.946 -1.833 1.00 1.00 H new ATOM 0 HD12 LEU A 130 22.616 3.742 -3.068 1.00 1.00 H new ATOM 0 HD13 LEU A 130 24.258 4.428 -3.039 1.00 1.00 H new ATOM 0 HD21 LEU A 130 23.286 7.233 -2.323 1.00 1.00 H new ATOM 0 HD22 LEU A 130 24.538 6.936 -3.552 1.00 1.00 H new ATOM 0 HD23 LEU A 130 23.089 7.882 -3.968 1.00 1.00 H new ATOM 624 N GLU A 131 24.377 4.950 -8.250 1.00 1.00 N ATOM 625 CA GLU A 131 24.360 4.396 -9.613 1.00 1.00 C ATOM 626 C GLU A 131 25.397 3.282 -9.856 1.00 1.00 C ATOM 627 O GLU A 131 25.174 2.431 -10.716 1.00 1.00 O ATOM 628 CB GLU A 131 24.497 5.524 -10.652 1.00 1.00 C ATOM 629 CG GLU A 131 25.850 6.250 -10.617 1.00 1.00 C ATOM 630 CD GLU A 131 25.902 7.351 -11.692 1.00 1.00 C ATOM 631 OE1 GLU A 131 25.512 8.508 -11.402 1.00 1.00 O ATOM 632 OE2 GLU A 131 26.339 7.070 -12.835 1.00 1.00 O ATOM 0 H GLU A 131 24.559 5.953 -8.227 1.00 1.00 H new ATOM 0 HA GLU A 131 23.391 3.912 -9.731 1.00 1.00 H new ATOM 0 HB2 GLU A 131 24.347 5.106 -11.648 1.00 1.00 H new ATOM 0 HB3 GLU A 131 23.702 6.252 -10.489 1.00 1.00 H new ATOM 0 HG2 GLU A 131 26.008 6.688 -9.632 1.00 1.00 H new ATOM 0 HG3 GLU A 131 26.657 5.535 -10.781 1.00 1.00 H new ATOM 639 N ASP A 132 26.489 3.215 -9.074 1.00 1.00 N ATOM 640 CA ASP A 132 27.436 2.086 -9.132 1.00 1.00 C ATOM 641 C ASP A 132 26.828 0.754 -8.629 1.00 1.00 C ATOM 642 O ASP A 132 27.337 -0.326 -8.938 1.00 1.00 O ATOM 643 CB ASP A 132 28.730 2.413 -8.370 1.00 1.00 C ATOM 644 CG ASP A 132 29.854 1.421 -8.734 1.00 1.00 C ATOM 645 OD1 ASP A 132 30.318 1.450 -9.901 1.00 1.00 O ATOM 646 OD2 ASP A 132 30.320 0.656 -7.855 1.00 1.00 O ATOM 0 H ASP A 132 26.738 3.932 -8.392 1.00 1.00 H new ATOM 0 HA ASP A 132 27.672 1.941 -10.186 1.00 1.00 H new ATOM 0 HB2 ASP A 132 29.047 3.429 -8.605 1.00 1.00 H new ATOM 0 HB3 ASP A 132 28.543 2.378 -7.297 1.00 1.00 H new ATOM 651 N PHE A 133 25.709 0.829 -7.895 1.00 1.00 N ATOM 652 CA PHE A 133 25.014 -0.289 -7.246 1.00 1.00 C ATOM 653 C PHE A 133 23.560 -0.458 -7.728 1.00 1.00 C ATOM 654 O PHE A 133 22.940 -1.489 -7.477 1.00 1.00 O ATOM 655 CB PHE A 133 25.049 -0.058 -5.728 1.00 1.00 C ATOM 656 CG PHE A 133 26.451 0.084 -5.165 1.00 1.00 C ATOM 657 CD1 PHE A 133 27.228 -1.062 -4.921 1.00 1.00 C ATOM 658 CD2 PHE A 133 26.993 1.361 -4.920 1.00 1.00 C ATOM 659 CE1 PHE A 133 28.540 -0.938 -4.434 1.00 1.00 C ATOM 660 CE2 PHE A 133 28.308 1.487 -4.437 1.00 1.00 C ATOM 661 CZ PHE A 133 29.082 0.336 -4.200 1.00 1.00 C ATOM 0 H PHE A 133 25.240 1.720 -7.730 1.00 1.00 H new ATOM 0 HA PHE A 133 25.528 -1.212 -7.514 1.00 1.00 H new ATOM 0 HB2 PHE A 133 24.480 0.841 -5.493 1.00 1.00 H new ATOM 0 HB3 PHE A 133 24.550 -0.890 -5.231 1.00 1.00 H new ATOM 0 HD1 PHE A 133 26.815 -2.042 -5.109 1.00 1.00 H new ATOM 0 HD2 PHE A 133 26.398 2.244 -5.103 1.00 1.00 H new ATOM 0 HE1 PHE A 133 29.131 -1.821 -4.240 1.00 1.00 H new ATOM 0 HE2 PHE A 133 28.723 2.466 -4.248 1.00 1.00 H new ATOM 0 HZ PHE A 133 30.095 0.433 -3.837 1.00 1.00 H new ATOM 671 N LEU A 134 23.012 0.546 -8.417 1.00 1.00 N ATOM 672 CA LEU A 134 21.670 0.588 -9.008 1.00 1.00 C ATOM 673 C LEU A 134 21.422 -0.556 -10.004 1.00 1.00 C ATOM 674 O LEU A 134 22.261 -0.851 -10.858 1.00 1.00 O ATOM 675 CB LEU A 134 21.547 1.983 -9.655 1.00 1.00 C ATOM 676 CG LEU A 134 20.240 2.441 -10.325 1.00 1.00 C ATOM 677 CD1 LEU A 134 20.012 1.885 -11.728 1.00 1.00 C ATOM 678 CD2 LEU A 134 19.012 2.175 -9.460 1.00 1.00 C ATOM 0 H LEU A 134 23.528 1.409 -8.589 1.00 1.00 H new ATOM 0 HA LEU A 134 20.901 0.438 -8.250 1.00 1.00 H new ATOM 0 HB2 LEU A 134 21.780 2.714 -8.881 1.00 1.00 H new ATOM 0 HB3 LEU A 134 22.332 2.054 -10.408 1.00 1.00 H new ATOM 0 HG LEU A 134 20.375 3.517 -10.432 1.00 1.00 H new ATOM 0 HD11 LEU A 134 19.067 2.262 -12.120 1.00 1.00 H new ATOM 0 HD12 LEU A 134 20.826 2.199 -12.381 1.00 1.00 H new ATOM 0 HD13 LEU A 134 19.979 0.796 -11.687 1.00 1.00 H new ATOM 0 HD21 LEU A 134 18.118 2.518 -9.982 1.00 1.00 H new ATOM 0 HD22 LEU A 134 18.930 1.106 -9.264 1.00 1.00 H new ATOM 0 HD23 LEU A 134 19.109 2.711 -8.516 1.00 1.00 H new ATOM 690 N ILE A 135 20.225 -1.150 -9.914 1.00 1.00 N ATOM 691 CA ILE A 135 19.801 -2.318 -10.724 1.00 1.00 C ATOM 692 C ILE A 135 18.515 -2.134 -11.550 1.00 1.00 C ATOM 693 O ILE A 135 18.222 -2.996 -12.381 1.00 1.00 O ATOM 694 CB ILE A 135 19.677 -3.583 -9.838 1.00 1.00 C ATOM 695 CG1 ILE A 135 18.399 -3.527 -8.958 1.00 1.00 C ATOM 696 CG2 ILE A 135 20.981 -3.824 -9.053 1.00 1.00 C ATOM 697 CD1 ILE A 135 18.441 -4.346 -7.667 1.00 1.00 C ATOM 0 H ILE A 135 19.504 -0.832 -9.266 1.00 1.00 H new ATOM 0 HA ILE A 135 20.597 -2.433 -11.459 1.00 1.00 H new ATOM 0 HB ILE A 135 19.547 -4.459 -10.473 1.00 1.00 H new ATOM 0 HG12 ILE A 135 18.205 -2.486 -8.699 1.00 1.00 H new ATOM 0 HG13 ILE A 135 17.554 -3.870 -9.556 1.00 1.00 H new ATOM 0 HG21 ILE A 135 20.875 -4.717 -8.436 1.00 1.00 H new ATOM 0 HG22 ILE A 135 21.806 -3.962 -9.752 1.00 1.00 H new ATOM 0 HG23 ILE A 135 21.186 -2.964 -8.415 1.00 1.00 H new ATOM 0 HD11 ILE A 135 17.497 -4.233 -7.133 1.00 1.00 H new ATOM 0 HD12 ILE A 135 18.598 -5.397 -7.908 1.00 1.00 H new ATOM 0 HD13 ILE A 135 19.258 -3.992 -7.038 1.00 1.00 H new ATOM 709 N LYS A 136 17.738 -1.053 -11.342 1.00 1.00 N ATOM 710 CA LYS A 136 16.390 -0.907 -11.931 1.00 1.00 C ATOM 711 C LYS A 136 16.114 0.470 -12.550 1.00 1.00 C ATOM 712 O LYS A 136 16.083 0.579 -13.775 1.00 1.00 O ATOM 713 CB LYS A 136 15.347 -1.334 -10.873 1.00 1.00 C ATOM 714 CG LYS A 136 13.942 -1.605 -11.443 1.00 1.00 C ATOM 715 CD LYS A 136 13.895 -2.879 -12.304 1.00 1.00 C ATOM 716 CE LYS A 136 12.457 -3.161 -12.766 1.00 1.00 C ATOM 717 NZ LYS A 136 12.385 -4.360 -13.655 1.00 1.00 N ATOM 0 H LYS A 136 18.023 -0.261 -10.766 1.00 1.00 H new ATOM 0 HA LYS A 136 16.317 -1.570 -12.793 1.00 1.00 H new ATOM 0 HB2 LYS A 136 15.703 -2.234 -10.371 1.00 1.00 H new ATOM 0 HB3 LYS A 136 15.275 -0.554 -10.115 1.00 1.00 H new ATOM 0 HG2 LYS A 136 13.231 -1.698 -10.622 1.00 1.00 H new ATOM 0 HG3 LYS A 136 13.625 -0.752 -12.043 1.00 1.00 H new ATOM 0 HD2 LYS A 136 14.546 -2.764 -13.171 1.00 1.00 H new ATOM 0 HD3 LYS A 136 14.273 -3.726 -11.732 1.00 1.00 H new ATOM 0 HE2 LYS A 136 11.819 -3.315 -11.896 1.00 1.00 H new ATOM 0 HE3 LYS A 136 12.068 -2.292 -13.296 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 11.399 -4.518 -13.946 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 12.974 -4.203 -14.498 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 12.732 -5.195 -13.141 1.00 1.00 H new