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+ -169:sc= 0.845 (180deg=0.782) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.27 K(o=-1.3,f=0) USER MOD Single : A 14 ASN : amide:sc= 1.13 K(o=1.1,f=-0.078) USER MOD Single : A 21 THR OG1 : rot 119:sc= 1.05 USER MOD Single : A 28 THR OG1 : rot 73:sc= 0.244 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 139:sc= 0.527 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -3.27! C(o=-3.3!,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -2.753 -3.814 9.106 1.00 0.00 N ATOM 2 CA THR A 1 -1.866 -4.612 8.239 1.00 0.00 C ATOM 3 C THR A 1 -1.812 -4.008 6.834 1.00 0.00 C ATOM 4 O THR A 1 -2.841 -3.661 6.251 1.00 0.00 O ATOM 5 CB THR A 1 -2.339 -6.083 8.164 1.00 0.00 C ATOM 6 OG1 THR A 1 -2.375 -6.659 9.482 1.00 0.00 O ATOM 7 CG2 THR A 1 -1.416 -6.908 7.276 1.00 0.00 C ATOM 0 H1 THR A 1 -2.638 -4.118 10.094 1.00 0.00 H new ATOM 0 H2 THR A 1 -2.506 -2.807 9.023 1.00 0.00 H new ATOM 0 H3 THR A 1 -3.741 -3.953 8.814 1.00 0.00 H new ATOM 0 HA THR A 1 -0.866 -4.595 8.673 1.00 0.00 H new ATOM 0 HB THR A 1 -3.340 -6.093 7.733 1.00 0.00 H new ATOM 0 HG1 THR A 1 -2.677 -7.589 9.424 1.00 0.00 H new ATOM 0 HG21 THR A 1 -1.771 -7.938 7.240 1.00 0.00 H new ATOM 0 HG22 THR A 1 -1.411 -6.491 6.269 1.00 0.00 H new ATOM 0 HG23 THR A 1 -0.405 -6.886 7.683 1.00 0.00 H new ATOM 17 N THR A 2 -0.605 -3.870 6.306 1.00 0.00 N ATOM 18 CA THR A 2 -0.405 -3.264 5.002 1.00 0.00 C ATOM 19 C THR A 2 0.344 -4.214 4.064 1.00 0.00 C ATOM 20 O THR A 2 1.232 -4.954 4.493 1.00 0.00 O ATOM 21 CB THR A 2 0.371 -1.932 5.145 1.00 0.00 C ATOM 22 OG1 THR A 2 0.457 -1.258 3.888 1.00 0.00 O ATOM 23 CG2 THR A 2 1.773 -2.156 5.698 1.00 0.00 C ATOM 0 H THR A 2 0.254 -4.172 6.765 1.00 0.00 H new ATOM 0 HA THR A 2 -1.384 -3.060 4.568 1.00 0.00 H new ATOM 0 HB THR A 2 -0.183 -1.312 5.850 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.949 -0.418 4.000 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.287 -1.199 5.784 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.706 -2.622 6.681 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.330 -2.808 5.025 1.00 0.00 H new ATOM 31 N CYS A 3 -0.035 -4.212 2.792 1.00 0.00 N ATOM 32 CA CYS A 3 0.668 -5.004 1.795 1.00 0.00 C ATOM 33 C CYS A 3 0.538 -4.368 0.410 1.00 0.00 C ATOM 34 O CYS A 3 -0.465 -3.715 0.103 1.00 0.00 O ATOM 35 CB CYS A 3 0.163 -6.458 1.789 1.00 0.00 C ATOM 36 SG CYS A 3 -1.632 -6.657 1.540 1.00 0.00 S ATOM 0 H CYS A 3 -0.821 -3.673 2.429 1.00 0.00 H new ATOM 0 HA CYS A 3 1.725 -5.023 2.059 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.685 -7.004 1.003 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.436 -6.924 2.736 1.00 0.00 H new ATOM 41 N CYS A 4 1.566 -4.533 -0.415 1.00 0.00 N ATOM 42 CA CYS A 4 1.572 -3.963 -1.751 1.00 0.00 C ATOM 43 C CYS A 4 2.215 -4.947 -2.724 1.00 0.00 C ATOM 44 O CYS A 4 3.137 -5.669 -2.349 1.00 0.00 O ATOM 45 CB CYS A 4 2.327 -2.630 -1.752 1.00 0.00 C ATOM 46 SG CYS A 4 2.093 -1.630 -3.259 1.00 0.00 S ATOM 0 H CYS A 4 2.407 -5.059 -0.178 1.00 0.00 H new ATOM 0 HA CYS A 4 0.546 -3.775 -2.068 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.007 -2.045 -0.890 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.391 -2.829 -1.625 1.00 0.00 H new ATOM 51 N PRO A 5 1.702 -5.004 -3.969 1.00 0.00 N ATOM 52 CA PRO A 5 2.159 -5.930 -5.016 1.00 0.00 C ATOM 53 C PRO A 5 3.678 -6.148 -5.061 1.00 0.00 C ATOM 54 O PRO A 5 4.139 -7.285 -5.052 1.00 0.00 O ATOM 55 CB PRO A 5 1.666 -5.270 -6.319 1.00 0.00 C ATOM 56 CG PRO A 5 0.949 -4.017 -5.910 1.00 0.00 C ATOM 57 CD PRO A 5 0.596 -4.185 -4.464 1.00 0.00 C ATOM 0 HA PRO A 5 1.767 -6.931 -4.838 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.502 -5.042 -6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.001 -5.938 -6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.582 -3.142 -6.056 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.054 -3.867 -6.514 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.535 -3.228 -3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.367 -4.680 -4.335 1.00 0.00 H new ATOM 65 N SER A 6 4.450 -5.071 -5.109 1.00 0.00 N ATOM 66 CA SER A 6 5.895 -5.187 -5.227 1.00 0.00 C ATOM 67 C SER A 6 6.605 -4.045 -4.509 1.00 0.00 C ATOM 68 O SER A 6 6.001 -3.004 -4.237 1.00 0.00 O ATOM 69 CB SER A 6 6.277 -5.213 -6.706 1.00 0.00 C ATOM 70 OG SER A 6 5.510 -4.274 -7.441 1.00 0.00 O ATOM 0 H SER A 6 4.102 -4.113 -5.068 1.00 0.00 H new ATOM 0 HA SER A 6 6.212 -6.115 -4.752 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.338 -4.988 -6.816 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.119 -6.213 -7.109 1.00 0.00 H new ATOM 0 HG SER A 6 5.771 -4.306 -8.385 1.00 0.00 H new ATOM 76 N ILE A 7 7.886 -4.254 -4.208 1.00 0.00 N ATOM 77 CA ILE A 7 8.722 -3.253 -3.546 1.00 0.00 C ATOM 78 C ILE A 7 8.699 -1.924 -4.295 1.00 0.00 C ATOM 79 O ILE A 7 8.660 -0.864 -3.674 1.00 0.00 O ATOM 80 CB ILE A 7 10.185 -3.739 -3.411 1.00 0.00 C ATOM 81 CG1 ILE A 7 10.244 -5.034 -2.598 1.00 0.00 C ATOM 82 CG2 ILE A 7 11.059 -2.672 -2.757 1.00 0.00 C ATOM 83 CD1 ILE A 7 11.626 -5.650 -2.532 1.00 0.00 C ATOM 0 H ILE A 7 8.375 -5.125 -4.417 1.00 0.00 H new ATOM 0 HA ILE A 7 8.305 -3.105 -2.550 1.00 0.00 H new ATOM 0 HB ILE A 7 10.569 -3.931 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.897 -4.832 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.554 -5.757 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.082 -3.040 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.047 -1.768 -3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.674 -2.445 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.589 -6.564 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.968 -5.885 -3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.317 -4.945 -2.069 1.00 0.00 H new ATOM 95 N VAL A 8 8.716 -1.976 -5.622 1.00 0.00 N ATOM 96 CA VAL A 8 8.658 -0.757 -6.425 1.00 0.00 C ATOM 97 C VAL A 8 7.377 0.016 -6.135 1.00 0.00 C ATOM 98 O VAL A 8 7.421 1.196 -5.790 1.00 0.00 O ATOM 99 CB VAL A 8 8.754 -1.051 -7.933 1.00 0.00 C ATOM 100 CG1 VAL A 8 8.630 0.233 -8.747 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.067 -1.750 -8.238 1.00 0.00 C ATOM 0 H VAL A 8 8.769 -2.840 -6.162 1.00 0.00 H new ATOM 0 HA VAL A 8 9.520 -0.152 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 8 7.929 -1.706 -8.213 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.701 -0.001 -9.809 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.668 0.702 -8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.433 0.917 -8.472 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.130 -1.956 -9.307 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.898 -1.109 -7.942 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.117 -2.688 -7.684 1.00 0.00 H new ATOM 111 N ALA A 9 6.244 -0.667 -6.242 1.00 0.00 N ATOM 112 CA ALA A 9 4.953 -0.051 -5.974 1.00 0.00 C ATOM 113 C ALA A 9 4.857 0.391 -4.516 1.00 0.00 C ATOM 114 O ALA A 9 4.273 1.429 -4.205 1.00 0.00 O ATOM 115 CB ALA A 9 3.829 -1.017 -6.318 1.00 0.00 C ATOM 0 H ALA A 9 6.194 -1.649 -6.513 1.00 0.00 H new ATOM 0 HA ALA A 9 4.855 0.835 -6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.868 -0.545 -6.113 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.886 -1.280 -7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.926 -1.919 -5.713 1.00 0.00 H new ATOM 121 N ARG A 10 5.458 -0.390 -3.628 1.00 0.00 N ATOM 122 CA ARG A 10 5.485 -0.081 -2.219 1.00 0.00 C ATOM 123 C ARG A 10 6.331 1.169 -1.971 1.00 0.00 C ATOM 124 O ARG A 10 5.974 2.033 -1.169 1.00 0.00 O ATOM 125 CB ARG A 10 6.041 -1.296 -1.482 1.00 0.00 C ATOM 126 CG ARG A 10 6.749 -0.976 -0.194 1.00 0.00 C ATOM 127 CD ARG A 10 7.948 -1.880 -0.025 1.00 0.00 C ATOM 128 NE ARG A 10 7.618 -3.183 0.555 1.00 0.00 N ATOM 129 CZ ARG A 10 7.928 -3.535 1.807 1.00 0.00 C ATOM 130 NH1 ARG A 10 8.371 -2.631 2.671 1.00 0.00 N ATOM 131 NH2 ARG A 10 7.750 -4.780 2.207 1.00 0.00 N ATOM 0 H ARG A 10 5.939 -1.255 -3.873 1.00 0.00 H new ATOM 0 HA ARG A 10 4.483 0.135 -1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.221 -1.983 -1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.733 -1.820 -2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.066 0.067 -0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.067 -1.102 0.647 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.419 -2.032 -0.996 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.681 -1.383 0.610 1.00 0.00 H new ATOM 0 HE ARG A 10 7.125 -3.859 -0.028 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.477 -1.659 2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.605 -2.908 3.624 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.376 -5.475 1.561 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.987 -5.048 3.162 1.00 0.00 H new ATOM 145 N SER A 11 7.449 1.263 -2.669 1.00 0.00 N ATOM 146 CA SER A 11 8.284 2.448 -2.614 1.00 0.00 C ATOM 147 C SER A 11 7.473 3.675 -3.032 1.00 0.00 C ATOM 148 O SER A 11 7.541 4.723 -2.388 1.00 0.00 O ATOM 149 CB SER A 11 9.502 2.282 -3.526 1.00 0.00 C ATOM 150 OG SER A 11 10.388 3.379 -3.401 1.00 0.00 O ATOM 0 H SER A 11 7.800 0.528 -3.283 1.00 0.00 H new ATOM 0 HA SER A 11 8.634 2.587 -1.591 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.024 1.359 -3.275 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.175 2.192 -4.562 1.00 0.00 H new ATOM 0 HG SER A 11 11.158 3.247 -3.993 1.00 0.00 H new ATOM 156 N ASN A 12 6.668 3.519 -4.089 1.00 0.00 N ATOM 157 CA ASN A 12 5.837 4.610 -4.606 1.00 0.00 C ATOM 158 C ASN A 12 4.926 5.174 -3.522 1.00 0.00 C ATOM 159 O ASN A 12 4.830 6.392 -3.361 1.00 0.00 O ATOM 160 CB ASN A 12 4.970 4.152 -5.789 1.00 0.00 C ATOM 161 CG ASN A 12 5.725 4.027 -7.108 1.00 0.00 C ATOM 162 OD1 ASN A 12 5.150 4.225 -8.179 1.00 0.00 O ATOM 163 ND2 ASN A 12 7.005 3.697 -7.050 1.00 0.00 N ATOM 0 H ASN A 12 6.575 2.644 -4.604 1.00 0.00 H new ATOM 0 HA ASN A 12 6.523 5.386 -4.945 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.524 3.187 -5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.150 4.858 -5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.546 3.600 -7.909 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.451 3.540 -6.146 1.00 0.00 H new ATOM 170 N PHE A 13 4.268 4.295 -2.766 1.00 0.00 N ATOM 171 CA PHE A 13 3.306 4.754 -1.770 1.00 0.00 C ATOM 172 C PHE A 13 4.017 5.388 -0.581 1.00 0.00 C ATOM 173 O PHE A 13 3.521 6.349 0.003 1.00 0.00 O ATOM 174 CB PHE A 13 2.349 3.629 -1.325 1.00 0.00 C ATOM 175 CG PHE A 13 2.790 2.780 -0.161 1.00 0.00 C ATOM 176 CD1 PHE A 13 2.729 3.271 1.133 1.00 0.00 C ATOM 177 CD2 PHE A 13 3.231 1.488 -0.357 1.00 0.00 C ATOM 178 CE1 PHE A 13 3.106 2.494 2.202 1.00 0.00 C ATOM 179 CE2 PHE A 13 3.607 0.698 0.712 1.00 0.00 C ATOM 180 CZ PHE A 13 3.547 1.202 1.993 1.00 0.00 C ATOM 0 H PHE A 13 4.381 3.283 -2.823 1.00 0.00 H new ATOM 0 HA PHE A 13 2.689 5.520 -2.241 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.390 4.080 -1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.177 2.972 -2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.380 4.279 1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.283 1.089 -1.359 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.057 2.893 3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.947 -0.313 0.544 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.844 0.589 2.831 1.00 0.00 H new ATOM 190 N ASN A 14 5.179 4.854 -0.228 1.00 0.00 N ATOM 191 CA ASN A 14 5.988 5.434 0.843 1.00 0.00 C ATOM 192 C ASN A 14 6.361 6.867 0.496 1.00 0.00 C ATOM 193 O ASN A 14 6.271 7.766 1.335 1.00 0.00 O ATOM 194 CB ASN A 14 7.250 4.607 1.102 1.00 0.00 C ATOM 195 CG ASN A 14 6.996 3.408 2.003 1.00 0.00 C ATOM 196 OD1 ASN A 14 7.000 3.526 3.227 1.00 0.00 O ATOM 197 ND2 ASN A 14 6.786 2.245 1.409 1.00 0.00 N ATOM 0 H ASN A 14 5.583 4.025 -0.663 1.00 0.00 H new ATOM 0 HA ASN A 14 5.392 5.428 1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.654 4.261 0.150 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.009 5.244 1.558 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.620 1.409 1.969 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.790 2.184 0.391 1.00 0.00 H new ATOM 204 N VAL A 15 6.746 7.076 -0.756 1.00 0.00 N ATOM 205 CA VAL A 15 7.089 8.403 -1.250 1.00 0.00 C ATOM 206 C VAL A 15 5.857 9.309 -1.292 1.00 0.00 C ATOM 207 O VAL A 15 5.971 10.533 -1.261 1.00 0.00 O ATOM 208 CB VAL A 15 7.725 8.317 -2.659 1.00 0.00 C ATOM 209 CG1 VAL A 15 8.086 9.696 -3.186 1.00 0.00 C ATOM 210 CG2 VAL A 15 8.956 7.426 -2.625 1.00 0.00 C ATOM 0 H VAL A 15 6.829 6.336 -1.453 1.00 0.00 H new ATOM 0 HA VAL A 15 7.815 8.834 -0.560 1.00 0.00 H new ATOM 0 HB VAL A 15 6.990 7.882 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.530 9.602 -4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.187 10.309 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.800 10.168 -2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.395 7.373 -3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.686 7.840 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.672 6.425 -2.300 1.00 0.00 H new ATOM 220 N CYS A 16 4.677 8.709 -1.323 1.00 0.00 N ATOM 221 CA CYS A 16 3.451 9.467 -1.440 1.00 0.00 C ATOM 222 C CYS A 16 3.030 10.026 -0.085 1.00 0.00 C ATOM 223 O CYS A 16 2.370 11.054 -0.006 1.00 0.00 O ATOM 224 CB CYS A 16 2.359 8.575 -2.030 1.00 0.00 C ATOM 225 SG CYS A 16 0.689 9.288 -1.966 1.00 0.00 S ATOM 0 H CYS A 16 4.547 7.699 -1.268 1.00 0.00 H new ATOM 0 HA CYS A 16 3.614 10.314 -2.107 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.608 8.356 -3.068 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.356 7.625 -1.496 1.00 0.00 H new ATOM 230 N ARG A 17 3.456 9.370 0.982 1.00 0.00 N ATOM 231 CA ARG A 17 3.097 9.787 2.329 1.00 0.00 C ATOM 232 C ARG A 17 3.830 11.069 2.711 1.00 0.00 C ATOM 233 O ARG A 17 3.252 11.977 3.306 1.00 0.00 O ATOM 234 CB ARG A 17 3.455 8.703 3.342 1.00 0.00 C ATOM 235 CG ARG A 17 2.699 7.396 3.174 1.00 0.00 C ATOM 236 CD ARG A 17 3.189 6.365 4.177 1.00 0.00 C ATOM 237 NE ARG A 17 2.411 5.129 4.142 1.00 0.00 N ATOM 238 CZ ARG A 17 2.488 4.181 5.082 1.00 0.00 C ATOM 239 NH1 ARG A 17 3.321 4.325 6.104 1.00 0.00 N ATOM 240 NH2 ARG A 17 1.732 3.088 5.012 1.00 0.00 N ATOM 0 H ARG A 17 4.053 8.544 0.942 1.00 0.00 H new ATOM 0 HA ARG A 17 2.021 9.962 2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.524 8.499 3.272 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.269 9.087 4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.631 7.567 3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.834 7.019 2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.235 6.136 3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.143 6.790 5.180 1.00 0.00 H new ATOM 0 HE ARG A 17 1.775 4.981 3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.904 5.159 6.173 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.379 3.601 6.821 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.084 2.965 4.234 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.801 2.373 5.736 1.00 0.00 H new ATOM 254 N LEU A 18 5.110 11.131 2.343 1.00 0.00 N ATOM 255 CA LEU A 18 6.008 12.180 2.779 1.00 0.00 C ATOM 256 C LEU A 18 5.522 13.611 2.441 1.00 0.00 C ATOM 257 O LEU A 18 5.668 14.498 3.278 1.00 0.00 O ATOM 258 CB LEU A 18 7.407 11.871 2.221 1.00 0.00 C ATOM 259 CG LEU A 18 7.812 12.547 0.907 1.00 0.00 C ATOM 260 CD1 LEU A 18 8.410 13.927 1.148 1.00 0.00 C ATOM 261 CD2 LEU A 18 8.790 11.670 0.147 1.00 0.00 C ATOM 0 H LEU A 18 5.548 10.445 1.729 1.00 0.00 H new ATOM 0 HA LEU A 18 6.038 12.182 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.140 12.146 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.482 10.793 2.081 1.00 0.00 H new ATOM 0 HG LEU A 18 6.912 12.679 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.685 14.376 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.676 14.559 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.297 13.835 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.071 12.161 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.681 11.508 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.322 10.711 -0.075 1.00 0.00 H new ATOM 273 N PRO A 19 4.937 13.887 1.244 1.00 0.00 N ATOM 274 CA PRO A 19 4.459 15.239 0.915 1.00 0.00 C ATOM 275 C PRO A 19 3.172 15.621 1.644 1.00 0.00 C ATOM 276 O PRO A 19 2.650 16.721 1.459 1.00 0.00 O ATOM 277 CB PRO A 19 4.220 15.181 -0.591 1.00 0.00 C ATOM 278 CG PRO A 19 3.927 13.751 -0.870 1.00 0.00 C ATOM 279 CD PRO A 19 4.737 12.957 0.115 1.00 0.00 C ATOM 0 HA PRO A 19 5.181 15.996 1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.388 15.821 -0.885 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.095 15.522 -1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.863 13.542 -0.757 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.196 13.491 -1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.212 12.055 0.429 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.687 12.639 -0.314 1.00 0.00 H new ATOM 287 N GLY A 20 2.668 14.717 2.468 1.00 0.00 N ATOM 288 CA GLY A 20 1.474 15.005 3.231 1.00 0.00 C ATOM 289 C GLY A 20 0.240 14.374 2.632 1.00 0.00 C ATOM 290 O GLY A 20 -0.849 14.944 2.693 1.00 0.00 O ATOM 0 H GLY A 20 3.064 13.790 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.603 14.645 4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.335 16.085 3.289 1.00 0.00 H new ATOM 294 N THR A 21 0.402 13.203 2.042 1.00 0.00 N ATOM 295 CA THR A 21 -0.714 12.454 1.536 1.00 0.00 C ATOM 296 C THR A 21 -1.001 11.306 2.484 1.00 0.00 C ATOM 297 O THR A 21 -0.082 10.635 2.959 1.00 0.00 O ATOM 298 CB THR A 21 -0.430 11.862 0.152 1.00 0.00 C ATOM 299 OG1 THR A 21 0.449 12.724 -0.580 1.00 0.00 O ATOM 300 CG2 THR A 21 -1.713 11.669 -0.641 1.00 0.00 C ATOM 0 H THR A 21 1.308 12.754 1.905 1.00 0.00 H new ATOM 0 HA THR A 21 -1.561 13.135 1.455 1.00 0.00 H new ATOM 0 HB THR A 21 0.039 10.889 0.298 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.274 12.242 -0.798 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.477 11.247 -1.618 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.375 10.990 -0.103 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.209 12.631 -0.771 1.00 0.00 H new ATOM 308 N PRO A 22 -2.270 11.093 2.782 1.00 0.00 N ATOM 309 CA PRO A 22 -2.708 9.988 3.611 1.00 0.00 C ATOM 310 C PRO A 22 -2.399 8.656 2.952 1.00 0.00 C ATOM 311 O PRO A 22 -2.705 8.445 1.778 1.00 0.00 O ATOM 312 CB PRO A 22 -4.224 10.191 3.735 1.00 0.00 C ATOM 313 CG PRO A 22 -4.589 11.099 2.610 1.00 0.00 C ATOM 314 CD PRO A 22 -3.371 11.929 2.326 1.00 0.00 C ATOM 0 HA PRO A 22 -2.204 9.970 4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.756 9.242 3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.485 10.631 4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.884 10.528 1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.436 11.730 2.879 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.284 12.162 1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.400 12.879 2.860 1.00 0.00 H new ATOM 322 N GLU A 23 -1.735 7.801 3.707 1.00 0.00 N ATOM 323 CA GLU A 23 -1.477 6.413 3.333 1.00 0.00 C ATOM 324 C GLU A 23 -2.672 5.803 2.598 1.00 0.00 C ATOM 325 O GLU A 23 -2.500 5.070 1.627 1.00 0.00 O ATOM 326 CB GLU A 23 -1.176 5.571 4.585 1.00 0.00 C ATOM 327 CG GLU A 23 -0.230 6.229 5.592 1.00 0.00 C ATOM 328 CD GLU A 23 -0.908 7.278 6.457 1.00 0.00 C ATOM 329 OE1 GLU A 23 -1.499 6.905 7.487 1.00 0.00 O ATOM 330 OE2 GLU A 23 -0.855 8.473 6.100 1.00 0.00 O ATOM 0 H GLU A 23 -1.350 8.052 4.617 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.615 6.408 2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.117 5.344 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.745 4.621 4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.198 5.459 6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.598 6.691 5.054 1.00 0.00 H new ATOM 337 N ALA A 24 -3.879 6.115 3.070 1.00 0.00 N ATOM 338 CA ALA A 24 -5.103 5.646 2.430 1.00 0.00 C ATOM 339 C ALA A 24 -5.153 6.065 0.961 1.00 0.00 C ATOM 340 O ALA A 24 -5.376 5.233 0.083 1.00 0.00 O ATOM 341 CB ALA A 24 -6.322 6.161 3.180 1.00 0.00 C ATOM 0 H ALA A 24 -4.033 6.693 3.896 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.109 4.557 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.228 5.803 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.297 5.799 4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.316 7.251 3.179 1.00 0.00 H new ATOM 347 N LEU A 25 -4.916 7.348 0.688 1.00 0.00 N ATOM 348 CA LEU A 25 -4.894 7.837 -0.684 1.00 0.00 C ATOM 349 C LEU A 25 -3.748 7.185 -1.455 1.00 0.00 C ATOM 350 O LEU A 25 -3.881 6.855 -2.636 1.00 0.00 O ATOM 351 CB LEU A 25 -4.745 9.362 -0.698 1.00 0.00 C ATOM 352 CG LEU A 25 -5.563 10.085 -1.770 1.00 0.00 C ATOM 353 CD1 LEU A 25 -5.531 11.588 -1.541 1.00 0.00 C ATOM 354 CD2 LEU A 25 -5.056 9.753 -3.166 1.00 0.00 C ATOM 0 H LEU A 25 -4.738 8.061 1.396 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.835 7.574 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.034 9.749 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.692 9.607 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.594 9.740 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.118 12.086 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.951 11.816 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.501 11.941 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.657 10.281 -3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.014 10.061 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.133 8.679 -3.335 1.00 0.00 H new ATOM 366 N CYS A 26 -2.630 6.970 -0.768 1.00 0.00 N ATOM 367 CA CYS A 26 -1.454 6.363 -1.386 1.00 0.00 C ATOM 368 C CYS A 26 -1.607 4.842 -1.496 1.00 0.00 C ATOM 369 O CYS A 26 -0.654 4.128 -1.784 1.00 0.00 O ATOM 370 CB CYS A 26 -0.183 6.741 -0.604 1.00 0.00 C ATOM 371 SG CYS A 26 -0.065 8.520 -0.248 1.00 0.00 S ATOM 0 H CYS A 26 -2.513 7.207 0.217 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.360 6.754 -2.399 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.163 6.187 0.334 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.693 6.432 -1.175 1.00 0.00 H new ATOM 376 N ALA A 27 -2.814 4.351 -1.242 1.00 0.00 N ATOM 377 CA ALA A 27 -3.141 2.956 -1.494 1.00 0.00 C ATOM 378 C ALA A 27 -4.045 2.837 -2.702 1.00 0.00 C ATOM 379 O ALA A 27 -3.891 1.952 -3.544 1.00 0.00 O ATOM 380 CB ALA A 27 -3.800 2.325 -0.274 1.00 0.00 C ATOM 0 H ALA A 27 -3.583 4.901 -0.861 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.214 2.419 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.035 1.282 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.119 2.378 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.718 2.863 -0.037 1.00 0.00 H new ATOM 386 N THR A 28 -4.946 3.780 -2.786 1.00 0.00 N ATOM 387 CA THR A 28 -6.003 3.783 -3.787 1.00 0.00 C ATOM 388 C THR A 28 -5.466 4.037 -5.200 1.00 0.00 C ATOM 389 O THR A 28 -6.024 3.544 -6.184 1.00 0.00 O ATOM 390 CB THR A 28 -7.061 4.848 -3.434 1.00 0.00 C ATOM 391 OG1 THR A 28 -7.507 4.658 -2.084 1.00 0.00 O ATOM 392 CG2 THR A 28 -8.256 4.783 -4.374 1.00 0.00 C ATOM 0 H THR A 28 -4.975 4.582 -2.157 1.00 0.00 H new ATOM 0 HA THR A 28 -6.456 2.792 -3.781 1.00 0.00 H new ATOM 0 HB THR A 28 -6.597 5.828 -3.541 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.800 4.935 -1.464 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.981 5.548 -4.095 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.923 4.955 -5.398 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.721 3.800 -4.304 1.00 0.00 H new ATOM 400 N TYR A 29 -4.368 4.780 -5.305 1.00 0.00 N ATOM 401 CA TYR A 29 -3.836 5.151 -6.610 1.00 0.00 C ATOM 402 C TYR A 29 -2.622 4.306 -6.931 1.00 0.00 C ATOM 403 O TYR A 29 -2.341 3.989 -8.087 1.00 0.00 O ATOM 404 CB TYR A 29 -3.454 6.638 -6.637 1.00 0.00 C ATOM 405 CG TYR A 29 -2.845 7.077 -7.951 1.00 0.00 C ATOM 406 CD1 TYR A 29 -3.493 6.809 -9.145 1.00 0.00 C ATOM 407 CD2 TYR A 29 -1.627 7.746 -7.997 1.00 0.00 C ATOM 408 CE1 TYR A 29 -2.951 7.198 -10.355 1.00 0.00 C ATOM 409 CE2 TYR A 29 -1.078 8.139 -9.205 1.00 0.00 C ATOM 410 CZ TYR A 29 -1.745 7.862 -10.382 1.00 0.00 C ATOM 411 OH TYR A 29 -1.205 8.250 -11.588 1.00 0.00 O ATOM 0 H TYR A 29 -3.835 5.133 -4.510 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.608 4.976 -7.359 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.342 7.238 -6.438 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.747 6.839 -5.832 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.438 6.287 -9.130 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.102 7.962 -7.078 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.471 6.982 -11.276 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.132 8.660 -9.227 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.352 8.708 -11.433 1.00 0.00 H new ATOM 421 N THR A 30 -1.918 3.952 -5.887 1.00 0.00 N ATOM 422 CA THR A 30 -0.676 3.230 -6.001 1.00 0.00 C ATOM 423 C THR A 30 -0.910 1.740 -6.268 1.00 0.00 C ATOM 424 O THR A 30 -0.133 1.099 -6.976 1.00 0.00 O ATOM 425 CB THR A 30 0.136 3.434 -4.717 1.00 0.00 C ATOM 426 OG1 THR A 30 0.162 4.834 -4.398 1.00 0.00 O ATOM 427 CG2 THR A 30 1.549 2.930 -4.880 1.00 0.00 C ATOM 0 H THR A 30 -2.192 4.158 -4.926 1.00 0.00 H new ATOM 0 HA THR A 30 -0.119 3.619 -6.854 1.00 0.00 H new ATOM 0 HB THR A 30 -0.336 2.870 -3.913 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.042 4.952 -3.433 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.101 3.088 -3.953 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.531 1.866 -5.115 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.037 3.472 -5.690 1.00 0.00 H new ATOM 435 N GLY A 31 -1.990 1.197 -5.719 1.00 0.00 N ATOM 436 CA GLY A 31 -2.324 -0.192 -5.977 1.00 0.00 C ATOM 437 C GLY A 31 -2.061 -1.095 -4.784 1.00 0.00 C ATOM 438 O GLY A 31 -2.275 -2.305 -4.857 1.00 0.00 O ATOM 0 H GLY A 31 -2.637 1.689 -5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.376 -0.262 -6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.745 -0.547 -6.830 1.00 0.00 H new ATOM 442 N CYS A 32 -1.585 -0.510 -3.690 1.00 0.00 N ATOM 443 CA CYS A 32 -1.362 -1.250 -2.451 1.00 0.00 C ATOM 444 C CYS A 32 -2.662 -1.296 -1.645 1.00 0.00 C ATOM 445 O CYS A 32 -3.514 -0.426 -1.800 1.00 0.00 O ATOM 446 CB CYS A 32 -0.266 -0.570 -1.628 1.00 0.00 C ATOM 447 SG CYS A 32 1.144 0.045 -2.611 1.00 0.00 S ATOM 0 H CYS A 32 -1.345 0.480 -3.635 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.047 -2.266 -2.689 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.704 0.265 -1.082 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.105 -1.277 -0.886 1.00 0.00 H new ATOM 452 N ILE A 33 -2.828 -2.297 -0.785 1.00 0.00 N ATOM 453 CA ILE A 33 -4.077 -2.441 -0.039 1.00 0.00 C ATOM 454 C ILE A 33 -3.850 -2.389 1.471 1.00 0.00 C ATOM 455 O ILE A 33 -2.821 -2.838 1.982 1.00 0.00 O ATOM 456 CB ILE A 33 -4.811 -3.751 -0.403 1.00 0.00 C ATOM 457 CG1 ILE A 33 -3.978 -4.971 -0.004 1.00 0.00 C ATOM 458 CG2 ILE A 33 -5.126 -3.783 -1.892 1.00 0.00 C ATOM 459 CD1 ILE A 33 -4.606 -6.288 -0.400 1.00 0.00 C ATOM 0 H ILE A 33 -2.126 -3.011 -0.588 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.701 -1.595 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.748 -3.785 0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.993 -4.895 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.827 -4.960 1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.643 -4.711 -2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.762 -2.936 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.198 -3.725 -2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.960 -7.108 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.579 -6.387 0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.732 -6.320 -1.482 1.00 0.00 H new ATOM 471 N ILE A 34 -4.813 -1.805 2.173 1.00 0.00 N ATOM 472 CA ILE A 34 -4.792 -1.751 3.627 1.00 0.00 C ATOM 473 C ILE A 34 -5.844 -2.696 4.176 1.00 0.00 C ATOM 474 O ILE A 34 -7.006 -2.644 3.768 1.00 0.00 O ATOM 475 CB ILE A 34 -5.062 -0.322 4.155 1.00 0.00 C ATOM 476 CG1 ILE A 34 -3.998 0.641 3.622 1.00 0.00 C ATOM 477 CG2 ILE A 34 -5.087 -0.308 5.679 1.00 0.00 C ATOM 478 CD1 ILE A 34 -4.237 2.093 3.978 1.00 0.00 C ATOM 0 H ILE A 34 -5.627 -1.358 1.751 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.798 -2.048 3.961 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.039 0.005 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.025 0.339 4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.951 0.548 2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.278 0.706 6.030 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.875 -0.971 6.036 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.125 -0.649 6.062 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.438 2.706 3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.193 2.416 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.252 2.204 5.062 1.00 0.00 H new ATOM 490 N ILE A 35 -5.436 -3.571 5.074 1.00 0.00 N ATOM 491 CA ILE A 35 -6.341 -4.550 5.642 1.00 0.00 C ATOM 492 C ILE A 35 -6.224 -4.603 7.161 1.00 0.00 C ATOM 493 O ILE A 35 -5.124 -4.620 7.710 1.00 0.00 O ATOM 494 CB ILE A 35 -6.090 -5.961 5.067 1.00 0.00 C ATOM 495 CG1 ILE A 35 -4.611 -6.339 5.205 1.00 0.00 C ATOM 496 CG2 ILE A 35 -6.533 -6.032 3.612 1.00 0.00 C ATOM 497 CD1 ILE A 35 -4.287 -7.745 4.751 1.00 0.00 C ATOM 0 H ILE A 35 -4.480 -3.624 5.427 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.348 -4.232 5.371 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.681 -6.678 5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.012 -5.635 4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.315 -6.228 6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.348 -7.034 3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.597 -5.807 3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.971 -5.306 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.221 -7.933 4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.857 -8.460 5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.549 -7.857 3.699 1.00 0.00 H new ATOM 509 N PRO A 36 -7.366 -4.615 7.857 1.00 0.00 N ATOM 510 CA PRO A 36 -7.404 -4.806 9.305 1.00 0.00 C ATOM 511 C PRO A 36 -7.240 -6.277 9.671 1.00 0.00 C ATOM 512 O PRO A 36 -7.066 -6.630 10.839 1.00 0.00 O ATOM 513 CB PRO A 36 -8.798 -4.308 9.681 1.00 0.00 C ATOM 514 CG PRO A 36 -9.631 -4.579 8.474 1.00 0.00 C ATOM 515 CD PRO A 36 -8.714 -4.419 7.287 1.00 0.00 C ATOM 0 HA PRO A 36 -6.602 -4.283 9.825 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.184 -4.832 10.555 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.787 -3.246 9.925 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.052 -5.584 8.509 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.469 -3.885 8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.931 -5.153 6.511 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.817 -3.434 6.831 1.00 0.00 H new ATOM 523 N GLY A 37 -7.299 -7.126 8.656 1.00 0.00 N ATOM 524 CA GLY A 37 -7.162 -8.547 8.862 1.00 0.00 C ATOM 525 C GLY A 37 -5.918 -9.100 8.207 1.00 0.00 C ATOM 526 O GLY A 37 -4.875 -8.450 8.188 1.00 0.00 O ATOM 0 H GLY A 37 -7.441 -6.849 7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.132 -8.756 9.931 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.039 -9.057 8.462 1.00 0.00 H new ATOM 530 N ALA A 38 -6.032 -10.293 7.659 1.00 0.00 N ATOM 531 CA ALA A 38 -4.897 -10.961 7.049 1.00 0.00 C ATOM 532 C ALA A 38 -5.213 -11.391 5.623 1.00 0.00 C ATOM 533 O ALA A 38 -4.493 -12.200 5.035 1.00 0.00 O ATOM 534 CB ALA A 38 -4.494 -12.162 7.887 1.00 0.00 C ATOM 0 H ALA A 38 -6.903 -10.823 7.623 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.066 -10.257 7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.642 -12.659 7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.221 -11.831 8.889 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.330 -12.859 7.950 1.00 0.00 H new ATOM 540 N THR A 39 -6.281 -10.846 5.058 1.00 0.00 N ATOM 541 CA THR A 39 -6.681 -11.214 3.708 1.00 0.00 C ATOM 542 C THR A 39 -5.842 -10.470 2.674 1.00 0.00 C ATOM 543 O THR A 39 -6.211 -9.396 2.198 1.00 0.00 O ATOM 544 CB THR A 39 -8.158 -10.914 3.449 1.00 0.00 C ATOM 545 OG1 THR A 39 -8.924 -11.138 4.640 1.00 0.00 O ATOM 546 CG2 THR A 39 -8.707 -11.778 2.323 1.00 0.00 C ATOM 0 H THR A 39 -6.881 -10.154 5.508 1.00 0.00 H new ATOM 0 HA THR A 39 -6.519 -12.288 3.616 1.00 0.00 H new ATOM 0 HB THR A 39 -8.238 -9.868 3.153 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.868 -10.941 4.464 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.759 -11.542 2.163 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.148 -11.582 1.408 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.608 -12.830 2.590 1.00 0.00 H new ATOM 554 N CYS A 40 -4.708 -11.047 2.360 1.00 0.00 N ATOM 555 CA CYS A 40 -3.785 -10.496 1.378 1.00 0.00 C ATOM 556 C CYS A 40 -2.892 -11.616 0.867 1.00 0.00 C ATOM 557 O CYS A 40 -2.145 -12.214 1.640 1.00 0.00 O ATOM 558 CB CYS A 40 -2.930 -9.383 1.994 1.00 0.00 C ATOM 559 SG CYS A 40 -1.814 -8.551 0.813 1.00 0.00 S ATOM 0 H CYS A 40 -4.390 -11.921 2.779 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.353 -10.064 0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.590 -8.638 2.439 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.334 -9.805 2.803 1.00 0.00 H new ATOM 564 N PRO A 41 -2.980 -11.939 -0.428 1.00 0.00 N ATOM 565 CA PRO A 41 -2.221 -13.044 -1.014 1.00 0.00 C ATOM 566 C PRO A 41 -0.733 -12.735 -1.138 1.00 0.00 C ATOM 567 O PRO A 41 -0.309 -11.581 -1.034 1.00 0.00 O ATOM 568 CB PRO A 41 -2.849 -13.207 -2.397 1.00 0.00 C ATOM 569 CG PRO A 41 -3.357 -11.849 -2.730 1.00 0.00 C ATOM 570 CD PRO A 41 -3.820 -11.254 -1.428 1.00 0.00 C ATOM 0 HA PRO A 41 -2.269 -13.941 -0.396 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.117 -13.549 -3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.654 -13.941 -2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.575 -11.239 -3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.175 -11.903 -3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.675 -10.174 -1.404 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.881 -11.437 -1.256 1.00 0.00 H new ATOM 578 N GLY A 42 0.049 -13.773 -1.398 1.00 0.00 N ATOM 579 CA GLY A 42 1.490 -13.630 -1.494 1.00 0.00 C ATOM 580 C GLY A 42 1.940 -13.004 -2.801 1.00 0.00 C ATOM 581 O GLY A 42 3.132 -12.986 -3.106 1.00 0.00 O ATOM 0 H GLY A 42 -0.293 -14.723 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.845 -13.019 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.954 -14.611 -1.389 1.00 0.00 H new ATOM 585 N ASP A 43 0.988 -12.475 -3.563 1.00 0.00 N ATOM 586 CA ASP A 43 1.290 -11.807 -4.815 1.00 0.00 C ATOM 587 C ASP A 43 1.316 -10.311 -4.558 1.00 0.00 C ATOM 588 O ASP A 43 1.893 -9.537 -5.317 1.00 0.00 O ATOM 589 CB ASP A 43 0.231 -12.157 -5.870 1.00 0.00 C ATOM 590 CG ASP A 43 0.546 -11.594 -7.243 1.00 0.00 C ATOM 591 OD1 ASP A 43 1.545 -12.030 -7.848 1.00 0.00 O ATOM 592 OD2 ASP A 43 -0.221 -10.733 -7.725 1.00 0.00 O ATOM 0 H ASP A 43 -0.005 -12.499 -3.329 1.00 0.00 H new ATOM 0 HA ASP A 43 2.258 -12.134 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.142 -13.241 -5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.737 -11.779 -5.543 1.00 0.00 H new ATOM 597 N TYR A 44 0.701 -9.922 -3.443 1.00 0.00 N ATOM 598 CA TYR A 44 0.608 -8.521 -3.055 1.00 0.00 C ATOM 599 C TYR A 44 1.278 -8.314 -1.708 1.00 0.00 C ATOM 600 O TYR A 44 1.049 -7.314 -1.035 1.00 0.00 O ATOM 601 CB TYR A 44 -0.858 -8.084 -2.969 1.00 0.00 C ATOM 602 CG TYR A 44 -1.648 -8.328 -4.237 1.00 0.00 C ATOM 603 CD1 TYR A 44 -1.060 -8.158 -5.481 1.00 0.00 C ATOM 604 CD2 TYR A 44 -2.977 -8.728 -4.193 1.00 0.00 C ATOM 605 CE1 TYR A 44 -1.770 -8.376 -6.645 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.695 -8.947 -5.354 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.086 -8.770 -6.577 1.00 0.00 C ATOM 608 OH TYR A 44 -3.794 -8.987 -7.737 1.00 0.00 O ATOM 0 H TYR A 44 0.257 -10.566 -2.789 1.00 0.00 H new ATOM 0 HA TYR A 44 1.112 -7.918 -3.810 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.337 -8.615 -2.147 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.896 -7.022 -2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.027 -7.849 -5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.458 -8.870 -3.236 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.294 -8.238 -7.605 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.729 -9.255 -5.302 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.708 -9.261 -7.516 1.00 0.00 H new ATOM 618 N ALA A 45 2.113 -9.260 -1.326 1.00 0.00 N ATOM 619 CA ALA A 45 2.755 -9.233 -0.022 1.00 0.00 C ATOM 620 C ALA A 45 4.266 -9.072 -0.154 1.00 0.00 C ATOM 621 O ALA A 45 5.030 -9.790 0.490 1.00 0.00 O ATOM 622 CB ALA A 45 2.415 -10.501 0.749 1.00 0.00 C ATOM 0 H ALA A 45 2.365 -10.063 -1.903 1.00 0.00 H new ATOM 0 HA ALA A 45 2.379 -8.371 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.899 -10.474 1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.335 -10.568 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.767 -11.370 0.193 1.00 0.00 H new ATOM 628 N ASN A 46 4.683 -8.124 -0.983 1.00 0.00 N ATOM 629 CA ASN A 46 6.104 -7.866 -1.203 1.00 0.00 C ATOM 630 C ASN A 46 6.543 -6.614 -0.440 1.00 0.00 C ATOM 631 O ASN A 46 6.933 -6.753 0.735 1.00 0.00 O ATOM 632 CB ASN A 46 6.392 -7.721 -2.702 1.00 0.00 C ATOM 633 CG ASN A 46 7.875 -7.680 -3.029 1.00 0.00 C ATOM 634 OD1 ASN A 46 8.283 -7.070 -4.017 1.00 0.00 O ATOM 635 ND2 ASN A 46 8.692 -8.334 -2.217 1.00 0.00 N ATOM 636 OXT ASN A 46 6.474 -5.498 -1.002 1.00 0.00 O ATOM 0 H ASN A 46 4.058 -7.519 -1.516 1.00 0.00 H new ATOM 0 HA ASN A 46 6.677 -8.713 -0.825 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.933 -8.553 -3.235 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.921 -6.809 -3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.695 -8.343 -2.402 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.318 -8.829 -1.407 1.00 0.00 H new TER 643 ASN A 46