USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 315 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 1 THR N :NH3+ -171:sc= 0.43 (180deg=0.385) USER MOD Single : A 1 THR OG1 : rot 127:sc= 1.05 USER MOD Single : A 2 THR OG1 : rot 157:sc= 0.102 USER MOD Single : A 6 SER OG : rot 180:sc= -0.196 USER MOD Single : A 11 SER OG : rot 88:sc= 1.34 USER MOD Single : A 12 ASN : amide:sc= -0.0233 K(o=-0.023,f=-1.1) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 92:sc= 0.262 USER MOD Single : A 28 THR OG1 : rot 84:sc= 0.219 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 140:sc= 1.22 USER MOD Single : A 39 THR OG1 : rot -126:sc= -0.952 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.148 X(o=0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -3.251 -1.799 8.464 1.00 0.00 N ATOM 2 CA THR A 1 -2.136 -2.591 7.907 1.00 0.00 C ATOM 3 C THR A 1 -2.136 -2.479 6.382 1.00 0.00 C ATOM 4 O THR A 1 -3.195 -2.420 5.768 1.00 0.00 O ATOM 5 CB THR A 1 -2.267 -4.066 8.330 1.00 0.00 C ATOM 6 OG1 THR A 1 -2.466 -4.142 9.751 1.00 0.00 O ATOM 7 CG2 THR A 1 -1.027 -4.861 7.953 1.00 0.00 C ATOM 0 H1 THR A 1 -3.160 -1.751 9.499 1.00 0.00 H new ATOM 0 H2 THR A 1 -3.225 -0.837 8.069 1.00 0.00 H new ATOM 0 H3 THR A 1 -4.155 -2.250 8.217 1.00 0.00 H new ATOM 0 HA THR A 1 -1.195 -2.201 8.294 1.00 0.00 H new ATOM 0 HB THR A 1 -3.122 -4.495 7.807 1.00 0.00 H new ATOM 0 HG1 THR A 1 -3.261 -4.682 9.942 1.00 0.00 H new ATOM 0 HG21 THR A 1 -1.151 -5.898 8.265 1.00 0.00 H new ATOM 0 HG22 THR A 1 -0.884 -4.822 6.873 1.00 0.00 H new ATOM 0 HG23 THR A 1 -0.156 -4.434 8.450 1.00 0.00 H new ATOM 17 N THR A 2 -0.958 -2.438 5.776 1.00 0.00 N ATOM 18 CA THR A 2 -0.858 -2.217 4.341 1.00 0.00 C ATOM 19 C THR A 2 -0.153 -3.383 3.638 1.00 0.00 C ATOM 20 O THR A 2 0.727 -4.024 4.210 1.00 0.00 O ATOM 21 CB THR A 2 -0.112 -0.897 4.050 1.00 0.00 C ATOM 22 OG1 THR A 2 -0.136 -0.607 2.648 1.00 0.00 O ATOM 23 CG2 THR A 2 1.332 -0.952 4.541 1.00 0.00 C ATOM 0 H THR A 2 -0.063 -2.554 6.252 1.00 0.00 H new ATOM 0 HA THR A 2 -1.872 -2.150 3.948 1.00 0.00 H new ATOM 0 HB THR A 2 -0.627 -0.103 4.591 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.005 0.354 2.511 1.00 0.00 H new ATOM 0 HG21 THR A 2 1.828 -0.007 4.320 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.344 -1.125 5.617 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.857 -1.763 4.037 1.00 0.00 H new ATOM 31 N CYS A 3 -0.560 -3.650 2.400 1.00 0.00 N ATOM 32 CA CYS A 3 0.052 -4.684 1.572 1.00 0.00 C ATOM 33 C CYS A 3 -0.082 -4.317 0.104 1.00 0.00 C ATOM 34 O CYS A 3 -1.187 -4.090 -0.391 1.00 0.00 O ATOM 35 CB CYS A 3 -0.585 -6.048 1.832 1.00 0.00 C ATOM 36 SG CYS A 3 0.205 -6.995 3.174 1.00 0.00 S ATOM 0 H CYS A 3 -1.325 -3.154 1.942 1.00 0.00 H new ATOM 0 HA CYS A 3 1.108 -4.750 1.833 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.638 -5.905 2.074 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -0.546 -6.636 0.915 1.00 0.00 H new ATOM 41 N CYS A 4 1.045 -4.244 -0.582 1.00 0.00 N ATOM 42 CA CYS A 4 1.067 -3.814 -1.969 1.00 0.00 C ATOM 43 C CYS A 4 1.408 -4.997 -2.880 1.00 0.00 C ATOM 44 O CYS A 4 1.880 -6.031 -2.413 1.00 0.00 O ATOM 45 CB CYS A 4 2.081 -2.680 -2.146 1.00 0.00 C ATOM 46 SG CYS A 4 1.870 -1.275 -0.988 1.00 0.00 S ATOM 0 H CYS A 4 1.961 -4.478 -0.199 1.00 0.00 H new ATOM 0 HA CYS A 4 0.081 -3.442 -2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.085 -3.086 -2.023 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.011 -2.305 -3.167 1.00 0.00 H new ATOM 51 N PRO A 5 1.120 -4.887 -4.187 1.00 0.00 N ATOM 52 CA PRO A 5 1.407 -5.954 -5.145 1.00 0.00 C ATOM 53 C PRO A 5 2.783 -5.862 -5.819 1.00 0.00 C ATOM 54 O PRO A 5 3.021 -6.546 -6.812 1.00 0.00 O ATOM 55 CB PRO A 5 0.312 -5.742 -6.182 1.00 0.00 C ATOM 56 CG PRO A 5 0.125 -4.262 -6.219 1.00 0.00 C ATOM 57 CD PRO A 5 0.415 -3.759 -4.825 1.00 0.00 C ATOM 0 HA PRO A 5 1.427 -6.929 -4.657 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.606 -6.131 -7.157 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.608 -6.253 -5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.797 -3.804 -6.945 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.891 -4.007 -6.520 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.031 -2.860 -4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.501 -3.506 -4.292 1.00 0.00 H new ATOM 65 N SER A 6 3.690 -5.035 -5.302 1.00 0.00 N ATOM 66 CA SER A 6 5.003 -4.904 -5.923 1.00 0.00 C ATOM 67 C SER A 6 5.968 -4.164 -5.012 1.00 0.00 C ATOM 68 O SER A 6 5.580 -3.238 -4.301 1.00 0.00 O ATOM 69 CB SER A 6 4.902 -4.194 -7.282 1.00 0.00 C ATOM 70 OG SER A 6 4.214 -2.960 -7.182 1.00 0.00 O ATOM 0 H SER A 6 3.544 -4.458 -4.473 1.00 0.00 H new ATOM 0 HA SER A 6 5.390 -5.909 -6.088 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.903 -4.021 -7.677 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.387 -4.841 -7.992 1.00 0.00 H new ATOM 0 HG SER A 6 4.171 -2.537 -8.065 1.00 0.00 H new ATOM 76 N ILE A 7 7.229 -4.584 -5.046 1.00 0.00 N ATOM 77 CA ILE A 7 8.276 -3.970 -4.241 1.00 0.00 C ATOM 78 C ILE A 7 8.433 -2.491 -4.593 1.00 0.00 C ATOM 79 O ILE A 7 8.800 -1.669 -3.748 1.00 0.00 O ATOM 80 CB ILE A 7 9.619 -4.696 -4.451 1.00 0.00 C ATOM 81 CG1 ILE A 7 9.416 -6.205 -4.293 1.00 0.00 C ATOM 82 CG2 ILE A 7 10.662 -4.190 -3.462 1.00 0.00 C ATOM 83 CD1 ILE A 7 10.651 -7.020 -4.589 1.00 0.00 C ATOM 0 H ILE A 7 7.551 -5.356 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 7 7.985 -4.055 -3.194 1.00 0.00 H new ATOM 0 HB ILE A 7 9.981 -4.489 -5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.090 -6.414 -3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.613 -6.526 -4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.603 -4.714 -3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.812 -3.120 -3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.317 -4.373 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.429 -8.079 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.966 -6.842 -5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.451 -6.729 -3.908 1.00 0.00 H new ATOM 95 N VAL A 8 8.130 -2.151 -5.837 1.00 0.00 N ATOM 96 CA VAL A 8 8.228 -0.771 -6.290 1.00 0.00 C ATOM 97 C VAL A 8 7.100 0.070 -5.691 1.00 0.00 C ATOM 98 O VAL A 8 7.344 1.110 -5.079 1.00 0.00 O ATOM 99 CB VAL A 8 8.184 -0.676 -7.832 1.00 0.00 C ATOM 100 CG1 VAL A 8 8.306 0.769 -8.292 1.00 0.00 C ATOM 101 CG2 VAL A 8 9.284 -1.526 -8.454 1.00 0.00 C ATOM 0 H VAL A 8 7.815 -2.810 -6.549 1.00 0.00 H new ATOM 0 HA VAL A 8 9.188 -0.383 -5.950 1.00 0.00 H new ATOM 0 HB VAL A 8 7.219 -1.059 -8.165 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.272 0.808 -9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.481 1.352 -7.882 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.252 1.183 -7.943 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.236 -1.446 -9.540 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.256 -1.175 -8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.149 -2.567 -8.161 1.00 0.00 H new ATOM 111 N ALA A 9 5.870 -0.407 -5.839 1.00 0.00 N ATOM 112 CA ALA A 9 4.705 0.330 -5.364 1.00 0.00 C ATOM 113 C ALA A 9 4.641 0.364 -3.839 1.00 0.00 C ATOM 114 O ALA A 9 4.141 1.326 -3.258 1.00 0.00 O ATOM 115 CB ALA A 9 3.432 -0.270 -5.938 1.00 0.00 C ATOM 0 H ALA A 9 5.653 -1.299 -6.283 1.00 0.00 H new ATOM 0 HA ALA A 9 4.799 1.359 -5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.570 0.290 -5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.465 -0.220 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.347 -1.311 -5.625 1.00 0.00 H new ATOM 121 N ARG A 10 5.157 -0.675 -3.185 1.00 0.00 N ATOM 122 CA ARG A 10 5.147 -0.727 -1.732 1.00 0.00 C ATOM 123 C ARG A 10 6.113 0.301 -1.159 1.00 0.00 C ATOM 124 O ARG A 10 5.937 0.786 -0.045 1.00 0.00 O ATOM 125 CB ARG A 10 5.466 -2.149 -1.246 1.00 0.00 C ATOM 126 CG ARG A 10 6.900 -2.629 -1.470 1.00 0.00 C ATOM 127 CD ARG A 10 7.856 -2.176 -0.375 1.00 0.00 C ATOM 128 NE ARG A 10 7.395 -2.560 0.956 1.00 0.00 N ATOM 129 CZ ARG A 10 8.049 -2.264 2.081 1.00 0.00 C ATOM 130 NH1 ARG A 10 9.233 -1.667 2.017 1.00 0.00 N ATOM 131 NH2 ARG A 10 7.540 -2.582 3.263 1.00 0.00 N ATOM 0 H ARG A 10 5.583 -1.484 -3.637 1.00 0.00 H new ATOM 0 HA ARG A 10 4.150 -0.475 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.248 -2.204 -0.179 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.790 -2.842 -1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.909 -3.718 -1.525 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.255 -2.258 -2.431 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.841 -2.607 -0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.969 -1.093 -0.420 1.00 0.00 H new ATOM 0 HE ARG A 10 6.523 -3.084 1.030 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.639 -1.436 1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.736 -1.439 2.874 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.640 -3.058 3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.049 -2.351 4.116 1.00 0.00 H new ATOM 145 N SER A 11 7.120 0.640 -1.945 1.00 0.00 N ATOM 146 CA SER A 11 8.059 1.679 -1.571 1.00 0.00 C ATOM 147 C SER A 11 7.443 3.045 -1.853 1.00 0.00 C ATOM 148 O SER A 11 7.528 3.962 -1.035 1.00 0.00 O ATOM 149 CB SER A 11 9.367 1.502 -2.340 1.00 0.00 C ATOM 150 OG SER A 11 9.899 0.200 -2.138 1.00 0.00 O ATOM 0 H SER A 11 7.307 0.208 -2.850 1.00 0.00 H new ATOM 0 HA SER A 11 8.279 1.608 -0.506 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.194 1.668 -3.403 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.090 2.250 -2.014 1.00 0.00 H new ATOM 0 HG SER A 11 9.520 -0.415 -2.800 1.00 0.00 H new ATOM 156 N ASN A 12 6.784 3.152 -3.007 1.00 0.00 N ATOM 157 CA ASN A 12 6.090 4.381 -3.393 1.00 0.00 C ATOM 158 C ASN A 12 5.016 4.730 -2.374 1.00 0.00 C ATOM 159 O ASN A 12 4.702 5.903 -2.164 1.00 0.00 O ATOM 160 CB ASN A 12 5.455 4.243 -4.779 1.00 0.00 C ATOM 161 CG ASN A 12 6.482 4.215 -5.892 1.00 0.00 C ATOM 162 OD1 ASN A 12 7.557 4.798 -5.776 1.00 0.00 O ATOM 163 ND2 ASN A 12 6.160 3.541 -6.984 1.00 0.00 N ATOM 0 H ASN A 12 6.716 2.400 -3.693 1.00 0.00 H new ATOM 0 HA ASN A 12 6.829 5.182 -3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.863 3.329 -4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.769 5.074 -4.944 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.814 3.493 -7.765 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.258 3.069 -7.045 1.00 0.00 H new ATOM 170 N PHE A 13 4.459 3.697 -1.750 1.00 0.00 N ATOM 171 CA PHE A 13 3.490 3.861 -0.677 1.00 0.00 C ATOM 172 C PHE A 13 4.039 4.782 0.408 1.00 0.00 C ATOM 173 O PHE A 13 3.484 5.853 0.671 1.00 0.00 O ATOM 174 CB PHE A 13 3.152 2.487 -0.086 1.00 0.00 C ATOM 175 CG PHE A 13 2.367 2.550 1.191 1.00 0.00 C ATOM 176 CD1 PHE A 13 1.021 2.852 1.172 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.983 2.311 2.411 1.00 0.00 C ATOM 178 CE1 PHE A 13 0.300 2.919 2.347 1.00 0.00 C ATOM 179 CE2 PHE A 13 2.268 2.375 3.590 1.00 0.00 C ATOM 180 CZ PHE A 13 0.922 2.681 3.558 1.00 0.00 C ATOM 0 H PHE A 13 4.668 2.724 -1.975 1.00 0.00 H new ATOM 0 HA PHE A 13 2.585 4.316 -1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.585 1.916 -0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.079 1.943 0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.527 3.038 0.230 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.036 2.072 2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.753 3.158 2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.759 2.187 4.533 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.357 2.734 4.477 1.00 0.00 H new ATOM 190 N ASN A 14 5.142 4.359 1.015 1.00 0.00 N ATOM 191 CA ASN A 14 5.776 5.122 2.087 1.00 0.00 C ATOM 192 C ASN A 14 6.268 6.472 1.587 1.00 0.00 C ATOM 193 O ASN A 14 6.252 7.458 2.324 1.00 0.00 O ATOM 194 CB ASN A 14 6.941 4.347 2.710 1.00 0.00 C ATOM 195 CG ASN A 14 6.494 3.060 3.377 1.00 0.00 C ATOM 196 OD1 ASN A 14 6.024 3.067 4.515 1.00 0.00 O ATOM 197 ND2 ASN A 14 6.677 1.941 2.693 1.00 0.00 N ATOM 0 H ASN A 14 5.619 3.488 0.782 1.00 0.00 H new ATOM 0 HA ASN A 14 5.018 5.287 2.852 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.674 4.116 1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.441 4.978 3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.426 1.043 3.107 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.069 1.977 1.752 1.00 0.00 H new ATOM 204 N VAL A 15 6.694 6.520 0.332 1.00 0.00 N ATOM 205 CA VAL A 15 7.153 7.766 -0.267 1.00 0.00 C ATOM 206 C VAL A 15 6.021 8.783 -0.352 1.00 0.00 C ATOM 207 O VAL A 15 6.239 9.978 -0.175 1.00 0.00 O ATOM 208 CB VAL A 15 7.743 7.542 -1.676 1.00 0.00 C ATOM 209 CG1 VAL A 15 8.062 8.869 -2.351 1.00 0.00 C ATOM 210 CG2 VAL A 15 8.990 6.679 -1.602 1.00 0.00 C ATOM 0 H VAL A 15 6.731 5.712 -0.290 1.00 0.00 H new ATOM 0 HA VAL A 15 7.939 8.154 0.381 1.00 0.00 H new ATOM 0 HB VAL A 15 6.994 7.024 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.476 8.683 -3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.150 9.459 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.789 9.417 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.391 6.532 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.738 7.172 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.738 5.712 -1.167 1.00 0.00 H new ATOM 220 N CYS A 16 4.805 8.309 -0.591 1.00 0.00 N ATOM 221 CA CYS A 16 3.671 9.193 -0.773 1.00 0.00 C ATOM 222 C CYS A 16 3.179 9.726 0.576 1.00 0.00 C ATOM 223 O CYS A 16 2.467 10.721 0.649 1.00 0.00 O ATOM 224 CB CYS A 16 2.556 8.449 -1.507 1.00 0.00 C ATOM 225 SG CYS A 16 1.100 9.465 -1.897 1.00 0.00 S ATOM 0 H CYS A 16 4.583 7.316 -0.663 1.00 0.00 H new ATOM 0 HA CYS A 16 3.978 10.049 -1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.958 8.042 -2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.240 7.602 -0.898 1.00 0.00 H new ATOM 230 N ARG A 17 3.593 9.070 1.650 1.00 0.00 N ATOM 231 CA ARG A 17 3.203 9.480 2.995 1.00 0.00 C ATOM 232 C ARG A 17 4.094 10.607 3.503 1.00 0.00 C ATOM 233 O ARG A 17 3.717 11.337 4.421 1.00 0.00 O ATOM 234 CB ARG A 17 3.266 8.289 3.955 1.00 0.00 C ATOM 235 CG ARG A 17 2.317 7.165 3.578 1.00 0.00 C ATOM 236 CD ARG A 17 0.870 7.633 3.584 1.00 0.00 C ATOM 237 NE ARG A 17 0.287 7.652 4.931 1.00 0.00 N ATOM 238 CZ ARG A 17 0.091 8.752 5.661 1.00 0.00 C ATOM 239 NH1 ARG A 17 0.447 9.941 5.205 1.00 0.00 N ATOM 240 NH2 ARG A 17 -0.506 8.658 6.841 1.00 0.00 N ATOM 0 H ARG A 17 4.200 8.251 1.618 1.00 0.00 H new ATOM 0 HA ARG A 17 2.177 9.847 2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.285 7.903 3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.032 8.631 4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.574 6.786 2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.436 6.337 4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.814 8.633 3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.278 6.978 2.945 1.00 0.00 H new ATOM 0 HE ARG A 17 0.011 6.759 5.339 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.878 10.026 4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.291 10.773 5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.813 7.749 7.186 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.659 9.495 7.403 1.00 0.00 H new ATOM 254 N LEU A 18 5.262 10.759 2.886 1.00 0.00 N ATOM 255 CA LEU A 18 6.238 11.733 3.303 1.00 0.00 C ATOM 256 C LEU A 18 5.759 13.176 3.076 1.00 0.00 C ATOM 257 O LEU A 18 5.854 13.999 3.987 1.00 0.00 O ATOM 258 CB LEU A 18 7.540 11.460 2.564 1.00 0.00 C ATOM 259 CG LEU A 18 8.217 10.131 2.906 1.00 0.00 C ATOM 260 CD1 LEU A 18 9.497 9.970 2.101 1.00 0.00 C ATOM 261 CD2 LEU A 18 8.508 10.047 4.395 1.00 0.00 C ATOM 0 H LEU A 18 5.549 10.203 2.081 1.00 0.00 H new ATOM 0 HA LEU A 18 6.394 11.636 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.343 11.484 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.237 12.270 2.778 1.00 0.00 H new ATOM 0 HG LEU A 18 7.539 9.319 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.969 9.020 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.262 9.986 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.179 10.788 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.989 9.095 4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.169 10.864 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.575 10.121 4.953 1.00 0.00 H new ATOM 273 N PRO A 19 5.240 13.523 1.874 1.00 0.00 N ATOM 274 CA PRO A 19 4.724 14.870 1.612 1.00 0.00 C ATOM 275 C PRO A 19 3.489 15.193 2.450 1.00 0.00 C ATOM 276 O PRO A 19 3.139 16.358 2.637 1.00 0.00 O ATOM 277 CB PRO A 19 4.359 14.850 0.120 1.00 0.00 C ATOM 278 CG PRO A 19 5.054 13.660 -0.440 1.00 0.00 C ATOM 279 CD PRO A 19 5.133 12.670 0.679 1.00 0.00 C ATOM 0 HA PRO A 19 5.459 15.632 1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.280 14.777 -0.020 1.00 0.00 H new ATOM 0 HB3 PRO A 19 4.684 15.765 -0.376 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.505 13.249 -1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.048 13.922 -0.801 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.249 12.033 0.717 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.996 12.012 0.575 1.00 0.00 H new ATOM 287 N GLY A 20 2.840 14.155 2.964 1.00 0.00 N ATOM 288 CA GLY A 20 1.655 14.348 3.776 1.00 0.00 C ATOM 289 C GLY A 20 0.393 13.878 3.084 1.00 0.00 C ATOM 290 O GLY A 20 -0.701 14.348 3.394 1.00 0.00 O ATOM 0 H GLY A 20 3.114 13.182 2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.772 13.809 4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.557 15.405 4.024 1.00 0.00 H new ATOM 294 N THR A 21 0.538 12.953 2.147 1.00 0.00 N ATOM 295 CA THR A 21 -0.588 12.389 1.453 1.00 0.00 C ATOM 296 C THR A 21 -1.069 11.166 2.197 1.00 0.00 C ATOM 297 O THR A 21 -0.273 10.316 2.602 1.00 0.00 O ATOM 298 CB THR A 21 -0.221 11.960 0.033 1.00 0.00 C ATOM 299 OG1 THR A 21 0.797 12.828 -0.485 1.00 0.00 O ATOM 300 CG2 THR A 21 -1.433 12.008 -0.886 1.00 0.00 C ATOM 0 H THR A 21 1.441 12.579 1.854 1.00 0.00 H new ATOM 0 HA THR A 21 -1.361 13.155 1.402 1.00 0.00 H new ATOM 0 HB THR A 21 0.145 10.934 0.073 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.680 12.447 -0.295 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.141 11.698 -1.889 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.203 11.336 -0.508 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.824 13.025 -0.920 1.00 0.00 H new ATOM 308 N PRO A 22 -2.370 11.068 2.382 1.00 0.00 N ATOM 309 CA PRO A 22 -2.991 9.940 3.044 1.00 0.00 C ATOM 310 C PRO A 22 -2.835 8.673 2.228 1.00 0.00 C ATOM 311 O PRO A 22 -3.092 8.661 1.023 1.00 0.00 O ATOM 312 CB PRO A 22 -4.467 10.338 3.149 1.00 0.00 C ATOM 313 CG PRO A 22 -4.661 11.375 2.096 1.00 0.00 C ATOM 314 CD PRO A 22 -3.334 12.067 1.942 1.00 0.00 C ATOM 0 HA PRO A 22 -2.540 9.728 4.013 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.120 9.481 2.984 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.701 10.731 4.138 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.975 10.922 1.156 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.438 12.083 2.384 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.156 12.367 0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.280 12.970 2.550 1.00 0.00 H new ATOM 322 N GLU A 23 -2.363 7.628 2.894 1.00 0.00 N ATOM 323 CA GLU A 23 -2.308 6.278 2.332 1.00 0.00 C ATOM 324 C GLU A 23 -3.622 5.910 1.652 1.00 0.00 C ATOM 325 O GLU A 23 -3.639 5.084 0.749 1.00 0.00 O ATOM 326 CB GLU A 23 -1.969 5.229 3.408 1.00 0.00 C ATOM 327 CG GLU A 23 -2.876 5.234 4.636 1.00 0.00 C ATOM 328 CD GLU A 23 -2.538 6.348 5.599 1.00 0.00 C ATOM 329 OE1 GLU A 23 -1.618 6.161 6.425 1.00 0.00 O ATOM 330 OE2 GLU A 23 -3.168 7.419 5.517 1.00 0.00 O ATOM 0 H GLU A 23 -2.004 7.690 3.847 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.513 6.278 1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.009 4.240 2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.942 5.388 3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.913 5.336 4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.793 4.276 5.149 1.00 0.00 H new ATOM 337 N ALA A 24 -4.708 6.536 2.087 1.00 0.00 N ATOM 338 CA ALA A 24 -5.998 6.398 1.424 1.00 0.00 C ATOM 339 C ALA A 24 -5.878 6.733 -0.063 1.00 0.00 C ATOM 340 O ALA A 24 -6.354 5.987 -0.917 1.00 0.00 O ATOM 341 CB ALA A 24 -7.024 7.300 2.088 1.00 0.00 C ATOM 0 H ALA A 24 -4.720 7.149 2.902 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.327 5.363 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.985 7.190 1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.129 7.021 3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.695 8.337 2.019 1.00 0.00 H new ATOM 347 N LEU A 25 -5.229 7.854 -0.369 1.00 0.00 N ATOM 348 CA LEU A 25 -5.004 8.255 -1.728 1.00 0.00 C ATOM 349 C LEU A 25 -3.836 7.484 -2.340 1.00 0.00 C ATOM 350 O LEU A 25 -3.883 7.082 -3.503 1.00 0.00 O ATOM 351 CB LEU A 25 -4.716 9.745 -1.743 1.00 0.00 C ATOM 352 CG LEU A 25 -5.916 10.657 -1.476 1.00 0.00 C ATOM 353 CD1 LEU A 25 -5.488 12.113 -1.531 1.00 0.00 C ATOM 354 CD2 LEU A 25 -7.030 10.393 -2.480 1.00 0.00 C ATOM 0 H LEU A 25 -4.851 8.498 0.326 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.890 8.036 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.950 9.956 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.295 10.005 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.299 10.440 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.349 12.753 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.725 12.297 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.082 12.336 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.872 11.052 -2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.663 10.582 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.353 9.355 -2.400 1.00 0.00 H new ATOM 366 N CYS A 26 -2.800 7.250 -1.545 1.00 0.00 N ATOM 367 CA CYS A 26 -1.595 6.596 -2.045 1.00 0.00 C ATOM 368 C CYS A 26 -1.776 5.081 -2.118 1.00 0.00 C ATOM 369 O CYS A 26 -0.814 4.344 -2.320 1.00 0.00 O ATOM 370 CB CYS A 26 -0.386 6.947 -1.174 1.00 0.00 C ATOM 371 SG CYS A 26 -0.330 8.696 -0.686 1.00 0.00 S ATOM 0 H CYS A 26 -2.768 7.501 -0.557 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.414 6.964 -3.055 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.402 6.328 -0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.527 6.700 -1.716 1.00 0.00 H new ATOM 376 N ALA A 27 -3.008 4.615 -1.940 1.00 0.00 N ATOM 377 CA ALA A 27 -3.334 3.217 -2.186 1.00 0.00 C ATOM 378 C ALA A 27 -4.049 3.086 -3.506 1.00 0.00 C ATOM 379 O ALA A 27 -3.733 2.235 -4.336 1.00 0.00 O ATOM 380 CB ALA A 27 -4.177 2.645 -1.059 1.00 0.00 C ATOM 0 H ALA A 27 -3.794 5.184 -1.627 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.407 2.646 -2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.405 1.600 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.626 2.714 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.106 3.210 -0.977 1.00 0.00 H new ATOM 386 N THR A 28 -4.968 3.989 -3.702 1.00 0.00 N ATOM 387 CA THR A 28 -5.807 4.019 -4.889 1.00 0.00 C ATOM 388 C THR A 28 -5.005 4.409 -6.134 1.00 0.00 C ATOM 389 O THR A 28 -5.362 4.050 -7.253 1.00 0.00 O ATOM 390 CB THR A 28 -6.960 5.017 -4.693 1.00 0.00 C ATOM 391 OG1 THR A 28 -7.641 4.732 -3.462 1.00 0.00 O ATOM 392 CG2 THR A 28 -7.943 4.956 -5.854 1.00 0.00 C ATOM 0 H THR A 28 -5.166 4.739 -3.039 1.00 0.00 H new ATOM 0 HA THR A 28 -6.206 3.015 -5.038 1.00 0.00 H new ATOM 0 HB THR A 28 -6.541 6.022 -4.656 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.168 5.163 -2.719 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.747 5.673 -5.688 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.426 5.200 -6.782 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.361 3.952 -5.925 1.00 0.00 H new ATOM 400 N TYR A 29 -3.908 5.125 -5.933 1.00 0.00 N ATOM 401 CA TYR A 29 -3.106 5.609 -7.043 1.00 0.00 C ATOM 402 C TYR A 29 -2.028 4.598 -7.375 1.00 0.00 C ATOM 403 O TYR A 29 -1.624 4.438 -8.525 1.00 0.00 O ATOM 404 CB TYR A 29 -2.479 6.950 -6.660 1.00 0.00 C ATOM 405 CG TYR A 29 -1.439 7.464 -7.629 1.00 0.00 C ATOM 406 CD1 TYR A 29 -1.703 7.553 -8.987 1.00 0.00 C ATOM 407 CD2 TYR A 29 -0.188 7.858 -7.177 1.00 0.00 C ATOM 408 CE1 TYR A 29 -0.747 8.024 -9.869 1.00 0.00 C ATOM 409 CE2 TYR A 29 0.772 8.330 -8.049 1.00 0.00 C ATOM 410 CZ TYR A 29 0.489 8.409 -9.395 1.00 0.00 C ATOM 411 OH TYR A 29 1.441 8.877 -10.269 1.00 0.00 O ATOM 0 H TYR A 29 -3.555 5.383 -5.011 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.736 5.746 -7.922 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.271 7.693 -6.571 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.021 6.853 -5.676 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.669 7.250 -9.362 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.039 7.794 -6.123 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.968 8.090 -10.924 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.739 8.636 -7.678 1.00 0.00 H new ATOM 0 HH TYR A 29 2.255 9.107 -9.774 1.00 0.00 H new ATOM 421 N THR A 30 -1.595 3.903 -6.346 1.00 0.00 N ATOM 422 CA THR A 30 -0.448 3.028 -6.446 1.00 0.00 C ATOM 423 C THR A 30 -0.842 1.561 -6.632 1.00 0.00 C ATOM 424 O THR A 30 -0.013 0.726 -6.992 1.00 0.00 O ATOM 425 CB THR A 30 0.404 3.174 -5.186 1.00 0.00 C ATOM 426 OG1 THR A 30 0.258 4.502 -4.664 1.00 0.00 O ATOM 427 CG2 THR A 30 1.855 2.924 -5.502 1.00 0.00 C ATOM 0 H THR A 30 -2.025 3.928 -5.422 1.00 0.00 H new ATOM 0 HA THR A 30 0.117 3.323 -7.330 1.00 0.00 H new ATOM 0 HB THR A 30 0.070 2.444 -4.449 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.208 4.465 -3.686 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.449 3.032 -4.594 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.973 1.914 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.195 3.645 -6.246 1.00 0.00 H new ATOM 435 N GLY A 31 -2.106 1.248 -6.376 1.00 0.00 N ATOM 436 CA GLY A 31 -2.582 -0.116 -6.531 1.00 0.00 C ATOM 437 C GLY A 31 -2.345 -0.957 -5.291 1.00 0.00 C ATOM 438 O GLY A 31 -2.413 -2.183 -5.339 1.00 0.00 O ATOM 0 H GLY A 31 -2.812 1.914 -6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.648 -0.102 -6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.081 -0.578 -7.381 1.00 0.00 H new ATOM 442 N CYS A 32 -2.078 -0.293 -4.179 1.00 0.00 N ATOM 443 CA CYS A 32 -1.844 -0.971 -2.915 1.00 0.00 C ATOM 444 C CYS A 32 -3.156 -1.038 -2.142 1.00 0.00 C ATOM 445 O CYS A 32 -4.075 -0.271 -2.426 1.00 0.00 O ATOM 446 CB CYS A 32 -0.765 -0.227 -2.112 1.00 0.00 C ATOM 447 SG CYS A 32 -0.133 -1.140 -0.667 1.00 0.00 S ATOM 0 H CYS A 32 -2.018 0.724 -4.126 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.486 -1.985 -3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.070 0.002 -2.775 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.174 0.725 -1.774 1.00 0.00 H new ATOM 452 N ILE A 33 -3.261 -1.951 -1.190 1.00 0.00 N ATOM 453 CA ILE A 33 -4.511 -2.127 -0.465 1.00 0.00 C ATOM 454 C ILE A 33 -4.299 -2.113 1.043 1.00 0.00 C ATOM 455 O ILE A 33 -3.239 -2.502 1.542 1.00 0.00 O ATOM 456 CB ILE A 33 -5.253 -3.428 -0.887 1.00 0.00 C ATOM 457 CG1 ILE A 33 -4.302 -4.637 -0.946 1.00 0.00 C ATOM 458 CG2 ILE A 33 -5.951 -3.237 -2.227 1.00 0.00 C ATOM 459 CD1 ILE A 33 -4.074 -5.317 0.387 1.00 0.00 C ATOM 0 H ILE A 33 -2.507 -2.575 -0.903 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.139 -1.277 -0.731 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.003 -3.636 -0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.704 -5.367 -1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.341 -4.309 -1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.464 -4.158 -2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.676 -2.427 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.213 -2.989 -2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.393 -6.157 0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.640 -4.605 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.025 -5.679 0.778 1.00 0.00 H new ATOM 471 N ILE A 34 -5.305 -1.635 1.759 1.00 0.00 N ATOM 472 CA ILE A 34 -5.278 -1.624 3.209 1.00 0.00 C ATOM 473 C ILE A 34 -6.013 -2.845 3.751 1.00 0.00 C ATOM 474 O ILE A 34 -7.097 -3.189 3.281 1.00 0.00 O ATOM 475 CB ILE A 34 -5.924 -0.343 3.792 1.00 0.00 C ATOM 476 CG1 ILE A 34 -5.169 0.914 3.352 1.00 0.00 C ATOM 477 CG2 ILE A 34 -5.983 -0.406 5.314 1.00 0.00 C ATOM 478 CD1 ILE A 34 -5.515 1.400 1.965 1.00 0.00 C ATOM 0 H ILE A 34 -6.156 -1.247 1.353 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.232 -1.645 3.514 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.940 -0.288 3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.373 1.713 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.099 0.713 3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.441 0.505 5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.577 -1.267 5.620 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.973 -0.501 5.714 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.934 2.294 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.283 0.621 1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.578 1.636 1.917 1.00 0.00 H new ATOM 490 N ILE A 35 -5.421 -3.495 4.735 1.00 0.00 N ATOM 491 CA ILE A 35 -6.008 -4.675 5.334 1.00 0.00 C ATOM 492 C ILE A 35 -6.039 -4.550 6.854 1.00 0.00 C ATOM 493 O ILE A 35 -5.374 -3.685 7.433 1.00 0.00 O ATOM 494 CB ILE A 35 -5.214 -5.952 4.978 1.00 0.00 C ATOM 495 CG1 ILE A 35 -3.790 -5.841 5.502 1.00 0.00 C ATOM 496 CG2 ILE A 35 -5.211 -6.192 3.478 1.00 0.00 C ATOM 497 CD1 ILE A 35 -3.203 -7.167 5.915 1.00 0.00 C ATOM 0 H ILE A 35 -4.525 -3.221 5.139 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.020 -4.755 4.937 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.701 -6.804 5.452 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.160 -5.397 4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.776 -5.163 6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.645 -7.097 3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.236 -6.309 3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.749 -5.343 2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.186 -7.017 6.279 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.811 -7.603 6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.186 -7.840 5.058 1.00 0.00 H new ATOM 509 N PRO A 36 -6.834 -5.401 7.511 1.00 0.00 N ATOM 510 CA PRO A 36 -6.804 -5.558 8.964 1.00 0.00 C ATOM 511 C PRO A 36 -5.520 -6.250 9.420 1.00 0.00 C ATOM 512 O PRO A 36 -4.757 -5.709 10.219 1.00 0.00 O ATOM 513 CB PRO A 36 -8.019 -6.450 9.271 1.00 0.00 C ATOM 514 CG PRO A 36 -8.807 -6.527 8.005 1.00 0.00 C ATOM 515 CD PRO A 36 -7.849 -6.250 6.883 1.00 0.00 C ATOM 0 HA PRO A 36 -6.835 -4.598 9.479 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.703 -7.442 9.594 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.618 -6.028 10.078 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.262 -7.511 7.891 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.619 -5.799 8.009 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.416 -7.169 6.487 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.339 -5.744 6.051 1.00 0.00 H new ATOM 523 N GLY A 37 -5.282 -7.448 8.893 1.00 0.00 N ATOM 524 CA GLY A 37 -4.094 -8.200 9.241 1.00 0.00 C ATOM 525 C GLY A 37 -4.132 -9.609 8.689 1.00 0.00 C ATOM 526 O GLY A 37 -5.175 -10.264 8.729 1.00 0.00 O ATOM 0 H GLY A 37 -5.898 -7.912 8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.213 -7.684 8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.994 -8.238 10.326 1.00 0.00 H new ATOM 530 N ALA A 38 -2.995 -10.058 8.162 1.00 0.00 N ATOM 531 CA ALA A 38 -2.849 -11.401 7.588 1.00 0.00 C ATOM 532 C ALA A 38 -3.734 -11.579 6.356 1.00 0.00 C ATOM 533 O ALA A 38 -3.981 -12.698 5.903 1.00 0.00 O ATOM 534 CB ALA A 38 -3.151 -12.468 8.635 1.00 0.00 C ATOM 0 H ALA A 38 -2.142 -9.500 8.119 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.814 -11.518 7.268 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.037 -13.457 8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.459 -12.364 9.470 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.173 -12.347 8.994 1.00 0.00 H new ATOM 540 N THR A 39 -4.170 -10.464 5.795 1.00 0.00 N ATOM 541 CA THR A 39 -5.069 -10.475 4.655 1.00 0.00 C ATOM 542 C THR A 39 -4.296 -10.282 3.348 1.00 0.00 C ATOM 543 O THR A 39 -4.821 -9.782 2.355 1.00 0.00 O ATOM 544 CB THR A 39 -6.106 -9.352 4.796 1.00 0.00 C ATOM 545 OG1 THR A 39 -6.437 -9.162 6.179 1.00 0.00 O ATOM 546 CG2 THR A 39 -7.353 -9.700 4.011 1.00 0.00 C ATOM 0 H THR A 39 -3.912 -9.531 6.115 1.00 0.00 H new ATOM 0 HA THR A 39 -5.571 -11.442 4.629 1.00 0.00 H new ATOM 0 HB THR A 39 -5.684 -8.428 4.402 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.408 -9.221 6.294 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.084 -8.899 4.116 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.098 -9.823 2.958 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.776 -10.629 4.393 1.00 0.00 H new ATOM 554 N CYS A 40 -3.051 -10.702 3.360 1.00 0.00 N ATOM 555 CA CYS A 40 -2.165 -10.503 2.220 1.00 0.00 C ATOM 556 C CYS A 40 -1.801 -11.828 1.558 1.00 0.00 C ATOM 557 O CYS A 40 -1.041 -12.619 2.113 1.00 0.00 O ATOM 558 CB CYS A 40 -0.893 -9.786 2.667 1.00 0.00 C ATOM 559 SG CYS A 40 -1.208 -8.336 3.724 1.00 0.00 S ATOM 0 H CYS A 40 -2.621 -11.187 4.148 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.694 -9.892 1.489 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.260 -10.489 3.208 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.336 -9.469 1.786 1.00 0.00 H new ATOM 564 N PRO A 41 -2.362 -12.092 0.367 1.00 0.00 N ATOM 565 CA PRO A 41 -1.986 -13.251 -0.441 1.00 0.00 C ATOM 566 C PRO A 41 -0.587 -13.077 -1.039 1.00 0.00 C ATOM 567 O PRO A 41 0.014 -12.008 -0.920 1.00 0.00 O ATOM 568 CB PRO A 41 -3.055 -13.293 -1.538 1.00 0.00 C ATOM 569 CG PRO A 41 -3.556 -11.897 -1.640 1.00 0.00 C ATOM 570 CD PRO A 41 -3.413 -11.285 -0.275 1.00 0.00 C ATOM 0 HA PRO A 41 -1.943 -14.173 0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.636 -13.632 -2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.858 -13.983 -1.280 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.985 -11.334 -2.378 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.597 -11.882 -1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.129 -10.235 -0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.348 -11.330 0.283 1.00 0.00 H new ATOM 578 N GLY A 42 -0.094 -14.119 -1.695 1.00 0.00 N ATOM 579 CA GLY A 42 1.283 -14.135 -2.176 1.00 0.00 C ATOM 580 C GLY A 42 1.647 -12.986 -3.103 1.00 0.00 C ATOM 581 O GLY A 42 2.775 -12.492 -3.055 1.00 0.00 O ATOM 0 H GLY A 42 -0.625 -14.964 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.954 -14.117 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.460 -15.075 -2.699 1.00 0.00 H new ATOM 585 N ASP A 43 0.710 -12.535 -3.930 1.00 0.00 N ATOM 586 CA ASP A 43 1.027 -11.546 -4.950 1.00 0.00 C ATOM 587 C ASP A 43 0.975 -10.152 -4.348 1.00 0.00 C ATOM 588 O ASP A 43 1.620 -9.222 -4.824 1.00 0.00 O ATOM 589 CB ASP A 43 0.044 -11.659 -6.119 1.00 0.00 C ATOM 590 CG ASP A 43 0.449 -10.819 -7.314 1.00 0.00 C ATOM 591 OD1 ASP A 43 1.316 -11.272 -8.093 1.00 0.00 O ATOM 592 OD2 ASP A 43 -0.110 -9.718 -7.487 1.00 0.00 O ATOM 0 H ASP A 43 -0.265 -12.835 -3.914 1.00 0.00 H new ATOM 0 HA ASP A 43 2.033 -11.731 -5.326 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.032 -12.703 -6.424 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.947 -11.352 -5.785 1.00 0.00 H new ATOM 597 N TYR A 44 0.237 -10.039 -3.258 1.00 0.00 N ATOM 598 CA TYR A 44 0.003 -8.752 -2.625 1.00 0.00 C ATOM 599 C TYR A 44 0.764 -8.664 -1.309 1.00 0.00 C ATOM 600 O TYR A 44 0.438 -7.852 -0.446 1.00 0.00 O ATOM 601 CB TYR A 44 -1.491 -8.546 -2.366 1.00 0.00 C ATOM 602 CG TYR A 44 -2.367 -8.694 -3.592 1.00 0.00 C ATOM 603 CD1 TYR A 44 -1.936 -8.283 -4.844 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.629 -9.248 -3.485 1.00 0.00 C ATOM 605 CE1 TYR A 44 -2.749 -8.414 -5.956 1.00 0.00 C ATOM 606 CE2 TYR A 44 -4.451 -9.382 -4.585 1.00 0.00 C ATOM 607 CZ TYR A 44 -4.003 -8.967 -5.821 1.00 0.00 C ATOM 608 OH TYR A 44 -4.816 -9.099 -6.923 1.00 0.00 O ATOM 0 H TYR A 44 -0.213 -10.826 -2.791 1.00 0.00 H new ATOM 0 HA TYR A 44 0.358 -7.972 -3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.818 -9.262 -1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.640 -7.551 -1.946 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.951 -7.854 -4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.979 -9.583 -2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.402 -8.084 -6.924 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.437 -9.809 -4.479 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.665 -9.508 -6.656 1.00 0.00 H new ATOM 618 N ALA A 45 1.776 -9.506 -1.164 1.00 0.00 N ATOM 619 CA ALA A 45 2.606 -9.511 0.033 1.00 0.00 C ATOM 620 C ALA A 45 3.923 -8.780 -0.216 1.00 0.00 C ATOM 621 O ALA A 45 4.929 -9.045 0.441 1.00 0.00 O ATOM 622 CB ALA A 45 2.860 -10.941 0.482 1.00 0.00 C ATOM 0 H ALA A 45 2.044 -10.198 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 45 2.077 -8.983 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.481 -10.936 1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.910 -11.427 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.371 -11.486 -0.311 1.00 0.00 H new ATOM 628 N ASN A 46 3.894 -7.838 -1.151 1.00 0.00 N ATOM 629 CA ASN A 46 5.090 -7.096 -1.534 1.00 0.00 C ATOM 630 C ASN A 46 4.988 -5.660 -1.057 1.00 0.00 C ATOM 631 O ASN A 46 4.303 -4.863 -1.729 1.00 0.00 O ATOM 632 CB ASN A 46 5.293 -7.114 -3.054 1.00 0.00 C ATOM 633 CG ASN A 46 5.540 -8.501 -3.604 1.00 0.00 C ATOM 634 OD1 ASN A 46 6.679 -8.947 -3.710 1.00 0.00 O ATOM 635 ND2 ASN A 46 4.472 -9.188 -3.976 1.00 0.00 N ATOM 636 OXT ASN A 46 5.580 -5.334 -0.008 1.00 0.00 O ATOM 0 H ASN A 46 3.052 -7.569 -1.660 1.00 0.00 H new ATOM 0 HA ASN A 46 5.946 -7.580 -1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.413 -6.690 -3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.137 -6.473 -3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.578 -10.124 -4.367 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.542 -8.782 -3.871 1.00 0.00 H new