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+ -178:sc= 0 (180deg=-0.00317) 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 67:sc= 0.739 USER MOD Single : A 12 ASN : amide:sc= 0.731 K(o=0.73,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.715 K(o=0.71,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 74:sc= 1.03 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 115:sc= 1.28 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= -0.0585 X(o=-0.059,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -3.132 -5.005 7.000 1.00 0.00 N ATOM 2 CA THR A 1 -4.436 -4.321 6.870 1.00 0.00 C ATOM 3 C THR A 1 -4.485 -3.532 5.564 1.00 0.00 C ATOM 4 O THR A 1 -5.474 -3.576 4.834 1.00 0.00 O ATOM 5 CB THR A 1 -4.681 -3.373 8.056 1.00 0.00 C ATOM 6 OG1 THR A 1 -4.386 -4.053 9.284 1.00 0.00 O ATOM 7 CG2 THR A 1 -6.121 -2.887 8.079 1.00 0.00 C ATOM 0 H1 THR A 1 -3.120 -5.567 7.875 1.00 0.00 H new ATOM 0 H2 THR A 1 -2.986 -5.633 6.184 1.00 0.00 H new ATOM 0 H3 THR A 1 -2.371 -4.297 7.033 1.00 0.00 H new ATOM 0 HA THR A 1 -5.218 -5.080 6.866 1.00 0.00 H new ATOM 0 HB THR A 1 -4.027 -2.508 7.944 1.00 0.00 H new ATOM 0 HG1 THR A 1 -4.541 -3.447 10.039 1.00 0.00 H new ATOM 0 HG21 THR A 1 -6.266 -2.219 8.928 1.00 0.00 H new ATOM 0 HG22 THR A 1 -6.339 -2.352 7.155 1.00 0.00 H new ATOM 0 HG23 THR A 1 -6.792 -3.741 8.171 1.00 0.00 H new ATOM 17 N THR A 2 -3.415 -2.811 5.278 1.00 0.00 N ATOM 18 CA THR A 2 -3.260 -2.162 3.994 1.00 0.00 C ATOM 19 C THR A 2 -2.093 -2.800 3.262 1.00 0.00 C ATOM 20 O THR A 2 -0.943 -2.700 3.692 1.00 0.00 O ATOM 21 CB THR A 2 -3.016 -0.653 4.137 1.00 0.00 C ATOM 22 OG1 THR A 2 -3.959 -0.094 5.064 1.00 0.00 O ATOM 23 CG2 THR A 2 -3.144 0.046 2.789 1.00 0.00 C ATOM 0 H THR A 2 -2.639 -2.662 5.923 1.00 0.00 H new ATOM 0 HA THR A 2 -4.185 -2.291 3.432 1.00 0.00 H new ATOM 0 HB THR A 2 -2.003 -0.501 4.511 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.798 0.869 5.153 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.967 1.114 2.915 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.410 -0.364 2.095 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.147 -0.111 2.391 1.00 0.00 H new ATOM 31 N CYS A 3 -2.400 -3.473 2.179 1.00 0.00 N ATOM 32 CA CYS A 3 -1.410 -4.263 1.470 1.00 0.00 C ATOM 33 C CYS A 3 -1.254 -3.770 0.043 1.00 0.00 C ATOM 34 O CYS A 3 -2.240 -3.564 -0.670 1.00 0.00 O ATOM 35 CB CYS A 3 -1.809 -5.738 1.500 1.00 0.00 C ATOM 36 SG CYS A 3 -2.105 -6.374 3.183 1.00 0.00 S ATOM 0 H CYS A 3 -3.332 -3.492 1.764 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.446 -4.153 1.966 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.711 -5.875 0.904 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.023 -6.329 1.029 1.00 0.00 H new ATOM 41 N CYS A 4 -0.019 -3.560 -0.361 1.00 0.00 N ATOM 42 CA CYS A 4 0.274 -2.984 -1.660 1.00 0.00 C ATOM 43 C CYS A 4 0.707 -4.062 -2.651 1.00 0.00 C ATOM 44 O CYS A 4 0.864 -5.229 -2.275 1.00 0.00 O ATOM 45 CB CYS A 4 1.372 -1.934 -1.501 1.00 0.00 C ATOM 46 SG CYS A 4 0.931 -0.576 -0.368 1.00 0.00 S ATOM 0 H CYS A 4 0.806 -3.781 0.196 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.628 -2.516 -2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.277 -2.420 -1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.607 -1.516 -2.480 1.00 0.00 H new ATOM 51 N PRO A 5 0.863 -3.700 -3.945 1.00 0.00 N ATOM 52 CA PRO A 5 1.480 -4.581 -4.946 1.00 0.00 C ATOM 53 C PRO A 5 2.927 -4.910 -4.584 1.00 0.00 C ATOM 54 O PRO A 5 3.357 -4.666 -3.458 1.00 0.00 O ATOM 55 CB PRO A 5 1.427 -3.764 -6.241 1.00 0.00 C ATOM 56 CG PRO A 5 0.379 -2.730 -6.009 1.00 0.00 C ATOM 57 CD PRO A 5 0.417 -2.425 -4.541 1.00 0.00 C ATOM 0 HA PRO A 5 0.965 -5.539 -5.022 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.392 -3.305 -6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.176 -4.394 -7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.577 -1.835 -6.599 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.604 -3.097 -6.306 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.107 -1.612 -4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.562 -2.125 -4.166 1.00 0.00 H new ATOM 65 N SER A 6 3.682 -5.440 -5.540 1.00 0.00 N ATOM 66 CA SER A 6 5.047 -5.873 -5.275 1.00 0.00 C ATOM 67 C SER A 6 5.896 -4.735 -4.696 1.00 0.00 C ATOM 68 O SER A 6 5.539 -3.555 -4.797 1.00 0.00 O ATOM 69 CB SER A 6 5.690 -6.423 -6.549 1.00 0.00 C ATOM 70 OG SER A 6 6.813 -7.231 -6.238 1.00 0.00 O ATOM 0 H SER A 6 3.372 -5.579 -6.502 1.00 0.00 H new ATOM 0 HA SER A 6 5.004 -6.668 -4.530 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.959 -7.008 -7.107 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.997 -5.598 -7.192 1.00 0.00 H new ATOM 0 HG SER A 6 7.209 -7.574 -7.066 1.00 0.00 H new ATOM 76 N ILE A 7 7.041 -5.121 -4.132 1.00 0.00 N ATOM 77 CA ILE A 7 7.896 -4.241 -3.331 1.00 0.00 C ATOM 78 C ILE A 7 8.086 -2.853 -3.952 1.00 0.00 C ATOM 79 O ILE A 7 7.974 -1.850 -3.253 1.00 0.00 O ATOM 80 CB ILE A 7 9.283 -4.886 -3.110 1.00 0.00 C ATOM 81 CG1 ILE A 7 9.132 -6.250 -2.427 1.00 0.00 C ATOM 82 CG2 ILE A 7 10.178 -3.966 -2.284 1.00 0.00 C ATOM 83 CD1 ILE A 7 10.442 -6.990 -2.244 1.00 0.00 C ATOM 0 H ILE A 7 7.407 -6.069 -4.220 1.00 0.00 H new ATOM 0 HA ILE A 7 7.381 -4.109 -2.379 1.00 0.00 H new ATOM 0 HB ILE A 7 9.754 -5.036 -4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.666 -6.108 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.455 -6.868 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.150 -4.438 -2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.309 -3.019 -2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.715 -3.783 -1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.255 -7.946 -1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.900 -7.165 -3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.114 -6.393 -1.628 1.00 0.00 H new ATOM 95 N VAL A 8 8.355 -2.800 -5.255 1.00 0.00 N ATOM 96 CA VAL A 8 8.633 -1.531 -5.939 1.00 0.00 C ATOM 97 C VAL A 8 7.551 -0.482 -5.661 1.00 0.00 C ATOM 98 O VAL A 8 7.849 0.634 -5.226 1.00 0.00 O ATOM 99 CB VAL A 8 8.766 -1.729 -7.464 1.00 0.00 C ATOM 100 CG1 VAL A 8 9.075 -0.408 -8.159 1.00 0.00 C ATOM 101 CG2 VAL A 8 9.839 -2.756 -7.781 1.00 0.00 C ATOM 0 H VAL A 8 8.387 -3.619 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 8 9.581 -1.170 -5.540 1.00 0.00 H new ATOM 0 HB VAL A 8 7.812 -2.099 -7.839 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.164 -0.574 -9.233 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.270 0.301 -7.967 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.012 -0.005 -7.775 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.916 -2.880 -8.861 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.796 -2.416 -7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.576 -3.710 -7.324 1.00 0.00 H new ATOM 111 N ALA A 9 6.295 -0.845 -5.892 1.00 0.00 N ATOM 112 CA ALA A 9 5.183 0.073 -5.669 1.00 0.00 C ATOM 113 C ALA A 9 4.971 0.304 -4.177 1.00 0.00 C ATOM 114 O ALA A 9 4.622 1.402 -3.744 1.00 0.00 O ATOM 115 CB ALA A 9 3.913 -0.469 -6.307 1.00 0.00 C ATOM 0 H ALA A 9 6.021 -1.766 -6.233 1.00 0.00 H new ATOM 0 HA ALA A 9 5.426 1.028 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.092 0.227 -6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.066 -0.587 -7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.669 -1.436 -5.867 1.00 0.00 H new ATOM 121 N ARG A 10 5.215 -0.739 -3.401 1.00 0.00 N ATOM 122 CA ARG A 10 5.027 -0.698 -1.957 1.00 0.00 C ATOM 123 C ARG A 10 6.018 0.265 -1.304 1.00 0.00 C ATOM 124 O ARG A 10 5.694 0.943 -0.324 1.00 0.00 O ATOM 125 CB ARG A 10 5.175 -2.114 -1.403 1.00 0.00 C ATOM 126 CG ARG A 10 4.877 -2.257 0.079 1.00 0.00 C ATOM 127 CD ARG A 10 6.143 -2.248 0.913 1.00 0.00 C ATOM 128 NE ARG A 10 5.931 -2.877 2.212 1.00 0.00 N ATOM 129 CZ ARG A 10 6.887 -3.083 3.106 1.00 0.00 C ATOM 130 NH1 ARG A 10 8.126 -2.662 2.875 1.00 0.00 N ATOM 131 NH2 ARG A 10 6.606 -3.714 4.233 1.00 0.00 N ATOM 0 H ARG A 10 5.548 -1.637 -3.752 1.00 0.00 H new ATOM 0 HA ARG A 10 4.028 -0.327 -1.727 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.510 -2.776 -1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.193 -2.456 -1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.226 -1.443 0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.335 -3.186 0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.936 -2.772 0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.479 -1.221 1.055 1.00 0.00 H new ATOM 0 HE ARG A 10 4.985 -3.178 2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.346 -2.177 2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.857 -2.824 3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.656 -4.040 4.412 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.339 -3.875 4.924 1.00 0.00 H new ATOM 145 N SER A 11 7.223 0.328 -1.850 1.00 0.00 N ATOM 146 CA SER A 11 8.223 1.273 -1.381 1.00 0.00 C ATOM 147 C SER A 11 7.779 2.705 -1.667 1.00 0.00 C ATOM 148 O SER A 11 7.862 3.573 -0.803 1.00 0.00 O ATOM 149 CB SER A 11 9.570 0.995 -2.049 1.00 0.00 C ATOM 150 OG SER A 11 9.985 -0.341 -1.819 1.00 0.00 O ATOM 0 H SER A 11 7.532 -0.266 -2.620 1.00 0.00 H new ATOM 0 HA SER A 11 8.334 1.152 -0.303 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.493 1.176 -3.121 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.321 1.684 -1.663 1.00 0.00 H new ATOM 0 HG SER A 11 9.375 -0.956 -2.277 1.00 0.00 H new ATOM 156 N ASN A 12 7.278 2.938 -2.878 1.00 0.00 N ATOM 157 CA ASN A 12 6.814 4.265 -3.268 1.00 0.00 C ATOM 158 C ASN A 12 5.640 4.708 -2.400 1.00 0.00 C ATOM 159 O ASN A 12 5.476 5.896 -2.130 1.00 0.00 O ATOM 160 CB ASN A 12 6.428 4.303 -4.748 1.00 0.00 C ATOM 161 CG ASN A 12 7.633 4.476 -5.658 1.00 0.00 C ATOM 162 OD1 ASN A 12 8.046 5.602 -5.951 1.00 0.00 O ATOM 163 ND2 ASN A 12 8.206 3.371 -6.116 1.00 0.00 N ATOM 0 H ASN A 12 7.184 2.227 -3.603 1.00 0.00 H new ATOM 0 HA ASN A 12 7.638 4.961 -3.114 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.909 3.381 -5.009 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.728 5.121 -4.917 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.016 3.434 -6.732 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.836 2.458 -5.852 1.00 0.00 H new ATOM 170 N PHE A 13 4.833 3.748 -1.959 1.00 0.00 N ATOM 171 CA PHE A 13 3.757 4.027 -1.013 1.00 0.00 C ATOM 172 C PHE A 13 4.317 4.646 0.267 1.00 0.00 C ATOM 173 O PHE A 13 3.848 5.691 0.722 1.00 0.00 O ATOM 174 CB PHE A 13 2.987 2.741 -0.692 1.00 0.00 C ATOM 175 CG PHE A 13 2.090 2.849 0.509 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.913 3.573 0.451 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.430 2.224 1.696 1.00 0.00 C ATOM 178 CE1 PHE A 13 0.091 3.674 1.557 1.00 0.00 C ATOM 179 CE2 PHE A 13 1.613 2.320 2.804 1.00 0.00 C ATOM 180 CZ PHE A 13 0.441 3.047 2.735 1.00 0.00 C ATOM 0 H PHE A 13 4.903 2.770 -2.241 1.00 0.00 H new ATOM 0 HA PHE A 13 3.070 4.741 -1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.386 2.464 -1.558 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.701 1.934 -0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.633 4.065 -0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.346 1.654 1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.825 4.243 1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.890 1.827 3.724 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.200 3.125 3.601 1.00 0.00 H new ATOM 190 N ASN A 14 5.339 4.006 0.822 1.00 0.00 N ATOM 191 CA ASN A 14 5.970 4.477 2.050 1.00 0.00 C ATOM 192 C ASN A 14 6.636 5.833 1.839 1.00 0.00 C ATOM 193 O ASN A 14 6.585 6.704 2.710 1.00 0.00 O ATOM 194 CB ASN A 14 6.998 3.458 2.554 1.00 0.00 C ATOM 195 CG ASN A 14 6.359 2.275 3.259 1.00 0.00 C ATOM 196 OD1 ASN A 14 6.153 2.305 4.474 1.00 0.00 O ATOM 197 ND2 ASN A 14 6.040 1.226 2.514 1.00 0.00 N ATOM 0 H ASN A 14 5.751 3.155 0.439 1.00 0.00 H new ATOM 0 HA ASN A 14 5.190 4.591 2.803 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.588 3.097 1.711 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.688 3.953 3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.609 0.408 2.944 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.226 1.237 1.511 1.00 0.00 H new ATOM 204 N VAL A 15 7.247 6.011 0.672 1.00 0.00 N ATOM 205 CA VAL A 15 7.887 7.275 0.322 1.00 0.00 C ATOM 206 C VAL A 15 6.847 8.387 0.179 1.00 0.00 C ATOM 207 O VAL A 15 7.114 9.545 0.492 1.00 0.00 O ATOM 208 CB VAL A 15 8.700 7.151 -0.990 1.00 0.00 C ATOM 209 CG1 VAL A 15 9.351 8.476 -1.358 1.00 0.00 C ATOM 210 CG2 VAL A 15 9.753 6.062 -0.866 1.00 0.00 C ATOM 0 H VAL A 15 7.313 5.293 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 15 8.572 7.528 1.131 1.00 0.00 H new ATOM 0 HB VAL A 15 8.009 6.879 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.915 8.360 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.580 9.234 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.025 8.785 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.314 5.990 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.434 6.306 -0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.267 5.108 -0.660 1.00 0.00 H new ATOM 220 N CYS A 16 5.655 8.021 -0.271 1.00 0.00 N ATOM 221 CA CYS A 16 4.576 8.983 -0.467 1.00 0.00 C ATOM 222 C CYS A 16 4.131 9.598 0.859 1.00 0.00 C ATOM 223 O CYS A 16 3.854 10.791 0.938 1.00 0.00 O ATOM 224 CB CYS A 16 3.385 8.309 -1.156 1.00 0.00 C ATOM 225 SG CYS A 16 1.925 9.381 -1.354 1.00 0.00 S ATOM 0 H CYS A 16 5.409 7.060 -0.509 1.00 0.00 H new ATOM 0 HA CYS A 16 4.954 9.784 -1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.700 7.959 -2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.099 7.428 -0.581 1.00 0.00 H new ATOM 230 N ARG A 17 4.082 8.786 1.908 1.00 0.00 N ATOM 231 CA ARG A 17 3.613 9.262 3.204 1.00 0.00 C ATOM 232 C ARG A 17 4.757 9.896 4.000 1.00 0.00 C ATOM 233 O ARG A 17 4.551 10.440 5.089 1.00 0.00 O ATOM 234 CB ARG A 17 2.968 8.114 3.986 1.00 0.00 C ATOM 235 CG ARG A 17 2.294 8.554 5.274 1.00 0.00 C ATOM 236 CD ARG A 17 1.557 7.411 5.942 1.00 0.00 C ATOM 237 NE ARG A 17 0.909 7.833 7.182 1.00 0.00 N ATOM 238 CZ ARG A 17 0.439 6.990 8.098 1.00 0.00 C ATOM 239 NH1 ARG A 17 0.624 5.685 7.959 1.00 0.00 N ATOM 240 NH2 ARG A 17 -0.198 7.451 9.168 1.00 0.00 N ATOM 0 H ARG A 17 4.358 7.804 1.888 1.00 0.00 H new ATOM 0 HA ARG A 17 2.859 10.032 3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.231 7.623 3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.732 7.372 4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.043 8.953 5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.594 9.362 5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.808 7.013 5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.257 6.603 6.155 1.00 0.00 H new ATOM 0 HE ARG A 17 0.811 8.833 7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.128 5.325 7.148 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.263 5.041 8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.329 8.455 9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.557 6.801 9.867 1.00 0.00 H new ATOM 254 N LEU A 18 5.960 9.853 3.436 1.00 0.00 N ATOM 255 CA LEU A 18 7.134 10.431 4.084 1.00 0.00 C ATOM 256 C LEU A 18 6.975 11.955 4.245 1.00 0.00 C ATOM 257 O LEU A 18 7.164 12.473 5.344 1.00 0.00 O ATOM 258 CB LEU A 18 8.408 10.075 3.294 1.00 0.00 C ATOM 259 CG LEU A 18 9.737 10.197 4.054 1.00 0.00 C ATOM 260 CD1 LEU A 18 10.829 9.435 3.319 1.00 0.00 C ATOM 261 CD2 LEU A 18 10.148 11.654 4.211 1.00 0.00 C ATOM 0 H LEU A 18 6.148 9.423 2.530 1.00 0.00 H new ATOM 0 HA LEU A 18 7.228 10.006 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.312 9.050 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.456 10.718 2.415 1.00 0.00 H new ATOM 0 HG LEU A 18 9.598 9.769 5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.768 9.527 3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.553 8.383 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.950 9.848 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.092 11.709 4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.267 12.106 3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.379 12.191 4.766 1.00 0.00 H new ATOM 273 N PRO A 19 6.609 12.705 3.174 1.00 0.00 N ATOM 274 CA PRO A 19 6.394 14.155 3.268 1.00 0.00 C ATOM 275 C PRO A 19 5.078 14.516 3.964 1.00 0.00 C ATOM 276 O PRO A 19 4.609 15.651 3.870 1.00 0.00 O ATOM 277 CB PRO A 19 6.360 14.626 1.803 1.00 0.00 C ATOM 278 CG PRO A 19 6.768 13.447 0.986 1.00 0.00 C ATOM 279 CD PRO A 19 6.406 12.240 1.795 1.00 0.00 C ATOM 0 HA PRO A 19 7.174 14.628 3.864 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.363 14.968 1.525 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.039 15.464 1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.254 13.441 0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.837 13.469 0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.376 11.929 1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.042 11.387 1.557 1.00 0.00 H new ATOM 287 N GLY A 20 4.483 13.547 4.650 1.00 0.00 N ATOM 288 CA GLY A 20 3.277 13.809 5.410 1.00 0.00 C ATOM 289 C GLY A 20 2.028 13.804 4.553 1.00 0.00 C ATOM 290 O GLY A 20 1.147 14.650 4.724 1.00 0.00 O ATOM 0 H GLY A 20 4.815 12.584 4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.177 13.058 6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.368 14.776 5.905 1.00 0.00 H new ATOM 294 N THR A 21 1.960 12.878 3.611 1.00 0.00 N ATOM 295 CA THR A 21 0.768 12.702 2.797 1.00 0.00 C ATOM 296 C THR A 21 -0.058 11.537 3.348 1.00 0.00 C ATOM 297 O THR A 21 0.498 10.488 3.675 1.00 0.00 O ATOM 298 CB THR A 21 1.142 12.460 1.316 1.00 0.00 C ATOM 299 OG1 THR A 21 1.962 13.541 0.842 1.00 0.00 O ATOM 300 CG2 THR A 21 -0.100 12.347 0.437 1.00 0.00 C ATOM 0 H THR A 21 2.719 12.234 3.390 1.00 0.00 H new ATOM 0 HA THR A 21 0.171 13.613 2.840 1.00 0.00 H new ATOM 0 HB THR A 21 1.689 11.519 1.258 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.199 13.385 -0.096 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.200 12.177 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.713 11.513 0.779 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.676 13.270 0.501 1.00 0.00 H new ATOM 308 N PRO A 22 -1.385 11.735 3.502 1.00 0.00 N ATOM 309 CA PRO A 22 -2.296 10.743 4.098 1.00 0.00 C ATOM 310 C PRO A 22 -2.090 9.318 3.581 1.00 0.00 C ATOM 311 O PRO A 22 -1.869 9.097 2.384 1.00 0.00 O ATOM 312 CB PRO A 22 -3.674 11.257 3.696 1.00 0.00 C ATOM 313 CG PRO A 22 -3.508 12.731 3.598 1.00 0.00 C ATOM 314 CD PRO A 22 -2.103 12.964 3.115 1.00 0.00 C ATOM 0 HA PRO A 22 -2.135 10.658 5.173 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.995 10.830 2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.428 10.991 4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.233 13.159 2.906 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.671 13.206 4.565 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.072 13.122 2.037 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.663 13.847 3.579 1.00 0.00 H new ATOM 322 N GLU A 23 -2.188 8.355 4.496 1.00 0.00 N ATOM 323 CA GLU A 23 -1.951 6.951 4.173 1.00 0.00 C ATOM 324 C GLU A 23 -2.942 6.430 3.132 1.00 0.00 C ATOM 325 O GLU A 23 -2.542 5.799 2.156 1.00 0.00 O ATOM 326 CB GLU A 23 -1.964 6.061 5.434 1.00 0.00 C ATOM 327 CG GLU A 23 -2.796 6.580 6.607 1.00 0.00 C ATOM 328 CD GLU A 23 -4.286 6.603 6.332 1.00 0.00 C ATOM 329 OE1 GLU A 23 -4.775 7.617 5.794 1.00 0.00 O ATOM 330 OE2 GLU A 23 -4.974 5.618 6.664 1.00 0.00 O ATOM 0 H GLU A 23 -2.431 8.524 5.472 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.953 6.897 3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.338 5.075 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.936 5.928 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.606 5.956 7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.466 7.588 6.858 1.00 0.00 H new ATOM 337 N ALA A 24 -4.226 6.706 3.332 1.00 0.00 N ATOM 338 CA ALA A 24 -5.263 6.253 2.414 1.00 0.00 C ATOM 339 C ALA A 24 -5.083 6.880 1.038 1.00 0.00 C ATOM 340 O ALA A 24 -5.280 6.227 0.010 1.00 0.00 O ATOM 341 CB ALA A 24 -6.642 6.576 2.972 1.00 0.00 C ATOM 0 H ALA A 24 -4.574 7.244 4.126 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.175 5.172 2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.406 6.232 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.773 6.075 3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.736 7.653 3.110 1.00 0.00 H new ATOM 347 N LEU A 25 -4.707 8.154 1.032 1.00 0.00 N ATOM 348 CA LEU A 25 -4.424 8.874 -0.197 1.00 0.00 C ATOM 349 C LEU A 25 -3.315 8.164 -0.972 1.00 0.00 C ATOM 350 O LEU A 25 -3.494 7.793 -2.135 1.00 0.00 O ATOM 351 CB LEU A 25 -4.006 10.308 0.143 1.00 0.00 C ATOM 352 CG LEU A 25 -4.341 11.366 -0.906 1.00 0.00 C ATOM 353 CD1 LEU A 25 -4.128 12.756 -0.331 1.00 0.00 C ATOM 354 CD2 LEU A 25 -3.503 11.185 -2.165 1.00 0.00 C ATOM 0 H LEU A 25 -4.591 8.712 1.878 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.318 8.901 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.481 10.592 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.930 10.321 0.314 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.389 11.247 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.370 13.503 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.774 12.894 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.087 12.869 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.766 11.954 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.446 11.270 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.696 10.201 -2.592 1.00 0.00 H new ATOM 366 N CYS A 26 -2.183 7.956 -0.312 1.00 0.00 N ATOM 367 CA CYS A 26 -1.042 7.298 -0.936 1.00 0.00 C ATOM 368 C CYS A 26 -1.376 5.864 -1.331 1.00 0.00 C ATOM 369 O CYS A 26 -0.949 5.393 -2.385 1.00 0.00 O ATOM 370 CB CYS A 26 0.167 7.325 -0.004 1.00 0.00 C ATOM 371 SG CYS A 26 0.814 8.995 0.301 1.00 0.00 S ATOM 0 H CYS A 26 -2.030 8.234 0.657 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.797 7.848 -1.845 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.109 6.872 0.948 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.959 6.710 -0.432 1.00 0.00 H new ATOM 376 N ALA A 27 -2.146 5.176 -0.490 1.00 0.00 N ATOM 377 CA ALA A 27 -2.563 3.808 -0.771 1.00 0.00 C ATOM 378 C ALA A 27 -3.347 3.738 -2.075 1.00 0.00 C ATOM 379 O ALA A 27 -3.057 2.916 -2.940 1.00 0.00 O ATOM 380 CB ALA A 27 -3.402 3.263 0.376 1.00 0.00 C ATOM 0 H ALA A 27 -2.494 5.547 0.394 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.668 3.195 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.706 2.241 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.814 3.273 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.288 3.884 0.506 1.00 0.00 H new ATOM 386 N THR A 28 -4.322 4.623 -2.216 1.00 0.00 N ATOM 387 CA THR A 28 -5.154 4.664 -3.408 1.00 0.00 C ATOM 388 C THR A 28 -4.346 5.137 -4.621 1.00 0.00 C ATOM 389 O THR A 28 -4.596 4.714 -5.749 1.00 0.00 O ATOM 390 CB THR A 28 -6.370 5.591 -3.193 1.00 0.00 C ATOM 391 OG1 THR A 28 -7.025 5.253 -1.963 1.00 0.00 O ATOM 392 CG2 THR A 28 -7.358 5.478 -4.348 1.00 0.00 C ATOM 0 H THR A 28 -4.557 5.326 -1.515 1.00 0.00 H new ATOM 0 HA THR A 28 -5.512 3.653 -3.600 1.00 0.00 H new ATOM 0 HB THR A 28 -6.011 6.619 -3.149 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.488 5.571 -1.208 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.204 6.142 -4.169 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.865 5.761 -5.278 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.713 4.450 -4.424 1.00 0.00 H new ATOM 400 N TYR A 29 -3.359 5.996 -4.374 1.00 0.00 N ATOM 401 CA TYR A 29 -2.531 6.543 -5.444 1.00 0.00 C ATOM 402 C TYR A 29 -1.575 5.485 -6.001 1.00 0.00 C ATOM 403 O TYR A 29 -1.286 5.471 -7.199 1.00 0.00 O ATOM 404 CB TYR A 29 -1.741 7.758 -4.934 1.00 0.00 C ATOM 405 CG TYR A 29 -0.896 8.432 -5.993 1.00 0.00 C ATOM 406 CD1 TYR A 29 -1.476 9.248 -6.957 1.00 0.00 C ATOM 407 CD2 TYR A 29 0.480 8.241 -6.037 1.00 0.00 C ATOM 408 CE1 TYR A 29 -0.709 9.857 -7.931 1.00 0.00 C ATOM 409 CE2 TYR A 29 1.253 8.842 -7.009 1.00 0.00 C ATOM 410 CZ TYR A 29 0.655 9.648 -7.953 1.00 0.00 C ATOM 411 OH TYR A 29 1.425 10.239 -8.928 1.00 0.00 O ATOM 0 H TYR A 29 -3.114 6.328 -3.441 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.190 6.860 -6.253 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.440 8.487 -4.524 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.095 7.441 -4.116 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.544 9.409 -6.944 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.952 7.611 -5.298 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.174 10.492 -8.670 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.321 8.682 -7.030 1.00 0.00 H new ATOM 0 HH TYR A 29 2.364 9.990 -8.799 1.00 0.00 H new ATOM 421 N THR A 30 -1.087 4.602 -5.134 1.00 0.00 N ATOM 422 CA THR A 30 -0.160 3.554 -5.554 1.00 0.00 C ATOM 423 C THR A 30 -0.905 2.304 -6.017 1.00 0.00 C ATOM 424 O THR A 30 -0.485 1.630 -6.960 1.00 0.00 O ATOM 425 CB THR A 30 0.813 3.177 -4.419 1.00 0.00 C ATOM 426 OG1 THR A 30 0.099 3.078 -3.183 1.00 0.00 O ATOM 427 CG2 THR A 30 1.925 4.204 -4.284 1.00 0.00 C ATOM 0 H THR A 30 -1.316 4.591 -4.140 1.00 0.00 H new ATOM 0 HA THR A 30 0.411 3.956 -6.391 1.00 0.00 H new ATOM 0 HB THR A 30 1.263 2.215 -4.664 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.128 2.153 -2.862 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.595 3.911 -3.476 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.485 4.259 -5.218 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.494 5.180 -4.062 1.00 0.00 H new ATOM 435 N GLY A 31 -2.012 2.003 -5.355 1.00 0.00 N ATOM 436 CA GLY A 31 -2.790 0.834 -5.710 1.00 0.00 C ATOM 437 C GLY A 31 -2.802 -0.207 -4.610 1.00 0.00 C ATOM 438 O GLY A 31 -2.883 -1.406 -4.881 1.00 0.00 O ATOM 0 H GLY A 31 -2.386 2.548 -4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.814 1.136 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.383 0.393 -6.620 1.00 0.00 H new ATOM 442 N CYS A 32 -2.713 0.251 -3.372 1.00 0.00 N ATOM 443 CA CYS A 32 -2.757 -0.638 -2.222 1.00 0.00 C ATOM 444 C CYS A 32 -4.206 -0.897 -1.825 1.00 0.00 C ATOM 445 O CYS A 32 -5.063 -0.028 -1.980 1.00 0.00 O ATOM 446 CB CYS A 32 -1.996 -0.023 -1.045 1.00 0.00 C ATOM 447 SG CYS A 32 -0.327 0.580 -1.466 1.00 0.00 S ATOM 0 H CYS A 32 -2.609 1.238 -3.137 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.283 -1.583 -2.489 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.579 0.806 -0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.912 -0.767 -0.253 1.00 0.00 H new ATOM 452 N ILE A 33 -4.481 -2.089 -1.320 1.00 0.00 N ATOM 453 CA ILE A 33 -5.836 -2.449 -0.931 1.00 0.00 C ATOM 454 C ILE A 33 -5.977 -2.508 0.586 1.00 0.00 C ATOM 455 O ILE A 33 -5.084 -2.990 1.292 1.00 0.00 O ATOM 456 CB ILE A 33 -6.273 -3.799 -1.543 1.00 0.00 C ATOM 457 CG1 ILE A 33 -5.291 -4.913 -1.162 1.00 0.00 C ATOM 458 CG2 ILE A 33 -6.393 -3.677 -3.055 1.00 0.00 C ATOM 459 CD1 ILE A 33 -5.703 -6.284 -1.655 1.00 0.00 C ATOM 0 H ILE A 33 -3.787 -2.822 -1.170 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.489 -1.668 -1.320 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.251 -4.062 -1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.308 -4.672 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.192 -4.942 -0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.701 -4.635 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.135 -2.917 -3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.428 -3.391 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.960 -7.020 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.672 -6.547 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.774 -6.273 -2.743 1.00 0.00 H new ATOM 471 N ILE A 34 -7.088 -1.987 1.079 1.00 0.00 N ATOM 472 CA ILE A 34 -7.395 -2.033 2.495 1.00 0.00 C ATOM 473 C ILE A 34 -8.324 -3.205 2.781 1.00 0.00 C ATOM 474 O ILE A 34 -9.259 -3.467 2.019 1.00 0.00 O ATOM 475 CB ILE A 34 -8.053 -0.722 2.991 1.00 0.00 C ATOM 476 CG1 ILE A 34 -7.127 0.480 2.772 1.00 0.00 C ATOM 477 CG2 ILE A 34 -8.430 -0.825 4.466 1.00 0.00 C ATOM 478 CD1 ILE A 34 -7.121 1.016 1.355 1.00 0.00 C ATOM 0 H ILE A 34 -7.797 -1.523 0.511 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.454 -2.157 3.031 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.961 -0.571 2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.425 1.281 3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.111 0.194 3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.890 0.108 4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.135 -1.645 4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.534 -1.013 5.058 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.440 1.864 1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.792 0.233 0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.127 1.336 1.083 1.00 0.00 H new ATOM 490 N ILE A 35 -8.054 -3.923 3.856 1.00 0.00 N ATOM 491 CA ILE A 35 -8.870 -5.067 4.228 1.00 0.00 C ATOM 492 C ILE A 35 -9.430 -4.902 5.637 1.00 0.00 C ATOM 493 O ILE A 35 -8.709 -4.518 6.562 1.00 0.00 O ATOM 494 CB ILE A 35 -8.080 -6.393 4.152 1.00 0.00 C ATOM 495 CG1 ILE A 35 -6.853 -6.347 5.068 1.00 0.00 C ATOM 496 CG2 ILE A 35 -7.666 -6.675 2.715 1.00 0.00 C ATOM 497 CD1 ILE A 35 -6.178 -7.685 5.246 1.00 0.00 C ATOM 0 H ILE A 35 -7.276 -3.735 4.488 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.689 -5.110 3.510 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.726 -7.201 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.133 -5.638 4.660 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.154 -5.969 6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.110 -7.612 2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.555 -6.753 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.036 -5.863 2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.318 -7.574 5.907 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.882 -8.393 5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.845 -8.056 4.277 1.00 0.00 H new ATOM 509 N PRO A 36 -10.733 -5.166 5.819 1.00 0.00 N ATOM 510 CA PRO A 36 -11.368 -5.156 7.138 1.00 0.00 C ATOM 511 C PRO A 36 -11.012 -6.402 7.947 1.00 0.00 C ATOM 512 O PRO A 36 -11.252 -6.467 9.152 1.00 0.00 O ATOM 513 CB PRO A 36 -12.874 -5.134 6.828 1.00 0.00 C ATOM 514 CG PRO A 36 -12.985 -4.937 5.351 1.00 0.00 C ATOM 515 CD PRO A 36 -11.706 -5.456 4.762 1.00 0.00 C ATOM 0 HA PRO A 36 -11.040 -4.308 7.739 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.350 -6.066 7.135 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.372 -4.329 7.368 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.844 -5.474 4.950 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.126 -3.884 5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.763 -6.522 4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.454 -4.952 3.829 1.00 0.00 H new ATOM 523 N GLY A 37 -10.440 -7.387 7.265 1.00 0.00 N ATOM 524 CA GLY A 37 -10.047 -8.623 7.910 1.00 0.00 C ATOM 525 C GLY A 37 -9.611 -9.659 6.896 1.00 0.00 C ATOM 526 O GLY A 37 -9.237 -9.303 5.775 1.00 0.00 O ATOM 0 H GLY A 37 -10.240 -7.349 6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.232 -8.428 8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.881 -9.012 8.494 1.00 0.00 H new ATOM 530 N ALA A 38 -9.636 -10.933 7.302 1.00 0.00 N ATOM 531 CA ALA A 38 -9.322 -12.077 6.428 1.00 0.00 C ATOM 532 C ALA A 38 -7.823 -12.197 6.124 1.00 0.00 C ATOM 533 O ALA A 38 -7.364 -13.253 5.679 1.00 0.00 O ATOM 534 CB ALA A 38 -10.131 -12.020 5.137 1.00 0.00 C ATOM 0 H ALA A 38 -9.877 -11.205 8.255 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.606 -12.974 6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.879 -12.876 4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.195 -12.044 5.373 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.898 -11.099 4.602 1.00 0.00 H new ATOM 540 N THR A 39 -7.073 -11.125 6.383 1.00 0.00 N ATOM 541 CA THR A 39 -5.630 -11.097 6.192 1.00 0.00 C ATOM 542 C THR A 39 -5.233 -11.173 4.701 1.00 0.00 C ATOM 543 O THR A 39 -5.908 -11.807 3.887 1.00 0.00 O ATOM 544 CB THR A 39 -5.003 -12.244 6.994 1.00 0.00 C ATOM 545 OG1 THR A 39 -5.198 -12.024 8.399 1.00 0.00 O ATOM 546 CG2 THR A 39 -3.520 -12.412 6.705 1.00 0.00 C ATOM 0 H THR A 39 -7.457 -10.247 6.734 1.00 0.00 H new ATOM 0 HA THR A 39 -5.250 -10.142 6.556 1.00 0.00 H new ATOM 0 HB THR A 39 -5.503 -13.162 6.685 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.796 -12.761 8.904 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.125 -13.237 7.298 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.378 -12.626 5.646 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.993 -11.494 6.964 1.00 0.00 H new ATOM 554 N CYS A 40 -4.149 -10.491 4.345 1.00 0.00 N ATOM 555 CA CYS A 40 -3.645 -10.511 2.977 1.00 0.00 C ATOM 556 C CYS A 40 -2.811 -11.764 2.735 1.00 0.00 C ATOM 557 O CYS A 40 -2.060 -12.193 3.613 1.00 0.00 O ATOM 558 CB CYS A 40 -2.786 -9.273 2.700 1.00 0.00 C ATOM 559 SG CYS A 40 -3.636 -7.684 2.960 1.00 0.00 S ATOM 0 H CYS A 40 -3.602 -9.917 4.987 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.502 -10.511 2.304 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.905 -9.308 3.341 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.432 -9.316 1.670 1.00 0.00 H new ATOM 564 N PRO A 41 -2.947 -12.376 1.550 1.00 0.00 N ATOM 565 CA PRO A 41 -2.142 -13.534 1.159 1.00 0.00 C ATOM 566 C PRO A 41 -0.672 -13.164 0.996 1.00 0.00 C ATOM 567 O PRO A 41 -0.333 -11.984 0.893 1.00 0.00 O ATOM 568 CB PRO A 41 -2.738 -13.962 -0.188 1.00 0.00 C ATOM 569 CG PRO A 41 -4.057 -13.274 -0.272 1.00 0.00 C ATOM 570 CD PRO A 41 -3.903 -11.999 0.501 1.00 0.00 C ATOM 0 HA PRO A 41 -2.169 -14.324 1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.090 -13.672 -1.015 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.855 -15.044 -0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.328 -13.073 -1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.849 -13.894 0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.523 -11.190 -0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.851 -11.661 0.919 1.00 0.00 H new ATOM 578 N GLY A 42 0.188 -14.173 0.951 1.00 0.00 N ATOM 579 CA GLY A 42 1.618 -13.937 0.841 1.00 0.00 C ATOM 580 C GLY A 42 1.994 -13.195 -0.430 1.00 0.00 C ATOM 581 O GLY A 42 2.936 -12.401 -0.440 1.00 0.00 O ATOM 0 H GLY A 42 -0.079 -15.157 0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.955 -13.364 1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.143 -14.892 0.868 1.00 0.00 H new ATOM 585 N ASP A 43 1.245 -13.450 -1.499 1.00 0.00 N ATOM 586 CA ASP A 43 1.476 -12.795 -2.789 1.00 0.00 C ATOM 587 C ASP A 43 1.404 -11.278 -2.660 1.00 0.00 C ATOM 588 O ASP A 43 2.273 -10.560 -3.158 1.00 0.00 O ATOM 589 CB ASP A 43 0.454 -13.265 -3.829 1.00 0.00 C ATOM 590 CG ASP A 43 0.706 -14.681 -4.300 1.00 0.00 C ATOM 591 OD1 ASP A 43 0.252 -15.628 -3.626 1.00 0.00 O ATOM 592 OD2 ASP A 43 1.358 -14.851 -5.352 1.00 0.00 O ATOM 0 H ASP A 43 0.467 -14.110 -1.500 1.00 0.00 H new ATOM 0 HA ASP A 43 2.478 -13.072 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.547 -13.201 -3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.479 -12.592 -4.686 1.00 0.00 H new ATOM 597 N TYR A 44 0.376 -10.796 -1.975 1.00 0.00 N ATOM 598 CA TYR A 44 0.167 -9.364 -1.825 1.00 0.00 C ATOM 599 C TYR A 44 0.540 -8.893 -0.427 1.00 0.00 C ATOM 600 O TYR A 44 0.090 -7.838 0.018 1.00 0.00 O ATOM 601 CB TYR A 44 -1.284 -8.993 -2.135 1.00 0.00 C ATOM 602 CG TYR A 44 -1.595 -8.954 -3.614 1.00 0.00 C ATOM 603 CD1 TYR A 44 -1.269 -7.838 -4.377 1.00 0.00 C ATOM 604 CD2 TYR A 44 -2.211 -10.023 -4.250 1.00 0.00 C ATOM 605 CE1 TYR A 44 -1.550 -7.789 -5.729 1.00 0.00 C ATOM 606 CE2 TYR A 44 -2.495 -9.982 -5.603 1.00 0.00 C ATOM 607 CZ TYR A 44 -2.164 -8.864 -6.335 1.00 0.00 C ATOM 608 OH TYR A 44 -2.449 -8.821 -7.682 1.00 0.00 O ATOM 0 H TYR A 44 -0.326 -11.376 -1.515 1.00 0.00 H new ATOM 0 HA TYR A 44 0.819 -8.861 -2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.945 -9.712 -1.652 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.502 -8.017 -1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.788 -6.995 -3.904 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.473 -10.901 -3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.290 -6.914 -6.307 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.974 -10.823 -6.083 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.880 -9.659 -7.952 1.00 0.00 H new ATOM 618 N ALA A 45 1.377 -9.660 0.260 1.00 0.00 N ATOM 619 CA ALA A 45 1.854 -9.242 1.567 1.00 0.00 C ATOM 620 C ALA A 45 3.013 -8.269 1.397 1.00 0.00 C ATOM 621 O ALA A 45 4.184 -8.659 1.402 1.00 0.00 O ATOM 622 CB ALA A 45 2.267 -10.440 2.409 1.00 0.00 C ATOM 0 H ALA A 45 1.734 -10.560 -0.061 1.00 0.00 H new ATOM 0 HA ALA A 45 1.043 -8.740 2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.620 -10.097 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.411 -11.101 2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.067 -10.982 1.904 1.00 0.00 H new ATOM 628 N ASN A 46 2.661 -7.003 1.228 1.00 0.00 N ATOM 629 CA ASN A 46 3.626 -5.939 0.999 1.00 0.00 C ATOM 630 C ASN A 46 3.178 -4.704 1.761 1.00 0.00 C ATOM 631 O ASN A 46 3.800 -4.375 2.792 1.00 0.00 O ATOM 632 CB ASN A 46 3.741 -5.602 -0.495 1.00 0.00 C ATOM 633 CG ASN A 46 4.094 -6.801 -1.361 1.00 0.00 C ATOM 634 OD1 ASN A 46 5.267 -7.134 -1.553 1.00 0.00 O ATOM 635 ND2 ASN A 46 3.075 -7.437 -1.922 1.00 0.00 N ATOM 636 OXT ASN A 46 2.175 -4.084 1.344 1.00 0.00 O ATOM 0 H ASN A 46 1.692 -6.684 1.246 1.00 0.00 H new ATOM 0 HA ASN A 46 4.604 -6.272 1.346 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.796 -5.181 -0.838 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.500 -4.831 -0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.247 -8.232 -2.537 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.119 -7.131 -1.738 1.00 0.00 H new TER 643 ASN A 46