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+ -167:sc= 1.31 (180deg=1.14) USER MOD Single : A 1 THR OG1 : rot 106:sc= 0.12 USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.721 USER MOD Single : A 6 SER OG : rot 180:sc= 0.191 USER MOD Single : A 11 SER OG : rot 86:sc= 1.16 USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 14 ASN : amide:sc= -0.0105 K(o=-0.01,f=-1.2) USER MOD Single : A 21 THR OG1 : rot 102:sc= 0.174 USER MOD Single : A 28 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 79:sc= 0.761 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 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -3.340 -3.453 7.795 1.00 0.00 N ATOM 2 CA THR A 1 -2.140 -4.067 7.194 1.00 0.00 C ATOM 3 C THR A 1 -2.093 -3.785 5.695 1.00 0.00 C ATOM 4 O THR A 1 -2.984 -4.192 4.949 1.00 0.00 O ATOM 5 CB THR A 1 -2.127 -5.588 7.437 1.00 0.00 C ATOM 6 OG1 THR A 1 -2.166 -5.850 8.844 1.00 0.00 O ATOM 7 CG2 THR A 1 -0.888 -6.234 6.833 1.00 0.00 C ATOM 0 H1 THR A 1 -3.251 -3.459 8.831 1.00 0.00 H new ATOM 0 H2 THR A 1 -3.432 -2.472 7.461 1.00 0.00 H new ATOM 0 H3 THR A 1 -4.183 -3.994 7.516 1.00 0.00 H new ATOM 0 HA THR A 1 -1.262 -3.628 7.668 1.00 0.00 H new ATOM 0 HB THR A 1 -3.005 -6.017 6.954 1.00 0.00 H new ATOM 0 HG1 THR A 1 -3.058 -6.171 9.092 1.00 0.00 H new ATOM 0 HG21 THR A 1 -0.909 -7.307 7.022 1.00 0.00 H new ATOM 0 HG22 THR A 1 -0.872 -6.055 5.758 1.00 0.00 H new ATOM 0 HG23 THR A 1 0.005 -5.803 7.286 1.00 0.00 H new ATOM 17 N THR A 2 -1.070 -3.062 5.262 1.00 0.00 N ATOM 18 CA THR A 2 -0.920 -2.729 3.857 1.00 0.00 C ATOM 19 C THR A 2 -0.126 -3.812 3.134 1.00 0.00 C ATOM 20 O THR A 2 0.989 -4.147 3.531 1.00 0.00 O ATOM 21 CB THR A 2 -0.212 -1.371 3.688 1.00 0.00 C ATOM 22 OG1 THR A 2 -0.857 -0.389 4.507 1.00 0.00 O ATOM 23 CG2 THR A 2 -0.227 -0.913 2.236 1.00 0.00 C ATOM 0 H THR A 2 -0.333 -2.696 5.865 1.00 0.00 H new ATOM 0 HA THR A 2 -1.917 -2.663 3.420 1.00 0.00 H new ATOM 0 HB THR A 2 0.827 -1.490 3.995 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.405 0.474 4.400 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.281 0.048 2.152 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.286 -1.649 1.617 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.258 -0.809 1.898 1.00 0.00 H new ATOM 31 N CYS A 3 -0.711 -4.368 2.089 1.00 0.00 N ATOM 32 CA CYS A 3 -0.051 -5.392 1.302 1.00 0.00 C ATOM 33 C CYS A 3 -0.007 -4.961 -0.157 1.00 0.00 C ATOM 34 O CYS A 3 -1.029 -4.942 -0.842 1.00 0.00 O ATOM 35 CB CYS A 3 -0.785 -6.731 1.447 1.00 0.00 C ATOM 36 SG CYS A 3 -0.933 -7.318 3.170 1.00 0.00 S ATOM 0 H CYS A 3 -1.647 -4.126 1.765 1.00 0.00 H new ATOM 0 HA CYS A 3 0.969 -5.523 1.664 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.783 -6.634 1.021 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -0.260 -7.486 0.861 1.00 0.00 H new ATOM 41 N CYS A 4 1.168 -4.578 -0.621 1.00 0.00 N ATOM 42 CA CYS A 4 1.319 -4.115 -1.985 1.00 0.00 C ATOM 43 C CYS A 4 1.899 -5.226 -2.853 1.00 0.00 C ATOM 44 O CYS A 4 2.876 -5.870 -2.475 1.00 0.00 O ATOM 45 CB CYS A 4 2.222 -2.889 -2.023 1.00 0.00 C ATOM 46 SG CYS A 4 2.072 -1.915 -3.550 1.00 0.00 S ATOM 0 H CYS A 4 2.029 -4.579 -0.074 1.00 0.00 H new ATOM 0 HA CYS A 4 0.340 -3.841 -2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.988 -2.250 -1.171 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.258 -3.208 -1.907 1.00 0.00 H new ATOM 51 N PRO A 5 1.300 -5.464 -4.028 1.00 0.00 N ATOM 52 CA PRO A 5 1.713 -6.539 -4.928 1.00 0.00 C ATOM 53 C PRO A 5 2.846 -6.129 -5.866 1.00 0.00 C ATOM 54 O PRO A 5 2.905 -6.583 -7.008 1.00 0.00 O ATOM 55 CB PRO A 5 0.435 -6.798 -5.722 1.00 0.00 C ATOM 56 CG PRO A 5 -0.206 -5.458 -5.834 1.00 0.00 C ATOM 57 CD PRO A 5 0.160 -4.705 -4.579 1.00 0.00 C ATOM 0 HA PRO A 5 2.104 -7.403 -4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.655 -7.217 -6.704 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.214 -7.508 -5.210 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.148 -4.931 -6.720 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.288 -5.552 -5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.436 -3.673 -4.798 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.673 -4.670 -3.877 1.00 0.00 H new ATOM 65 N SER A 6 3.749 -5.279 -5.392 1.00 0.00 N ATOM 66 CA SER A 6 4.853 -4.830 -6.212 1.00 0.00 C ATOM 67 C SER A 6 5.918 -4.184 -5.360 1.00 0.00 C ATOM 68 O SER A 6 5.627 -3.331 -4.519 1.00 0.00 O ATOM 69 CB SER A 6 4.369 -3.851 -7.280 1.00 0.00 C ATOM 70 OG SER A 6 5.451 -3.335 -8.039 1.00 0.00 O ATOM 0 H SER A 6 3.734 -4.892 -4.448 1.00 0.00 H new ATOM 0 HA SER A 6 5.282 -5.700 -6.708 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.664 -4.353 -7.943 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.831 -3.030 -6.806 1.00 0.00 H new ATOM 0 HG SER A 6 5.109 -2.713 -8.715 1.00 0.00 H new ATOM 76 N ILE A 7 7.152 -4.575 -5.612 1.00 0.00 N ATOM 77 CA ILE A 7 8.289 -4.052 -4.879 1.00 0.00 C ATOM 78 C ILE A 7 8.482 -2.579 -5.239 1.00 0.00 C ATOM 79 O ILE A 7 8.977 -1.776 -4.446 1.00 0.00 O ATOM 80 CB ILE A 7 9.580 -4.844 -5.202 1.00 0.00 C ATOM 81 CG1 ILE A 7 9.362 -6.350 -4.989 1.00 0.00 C ATOM 82 CG2 ILE A 7 10.726 -4.351 -4.332 1.00 0.00 C ATOM 83 CD1 ILE A 7 10.539 -7.209 -5.408 1.00 0.00 C ATOM 0 H ILE A 7 7.394 -5.261 -6.327 1.00 0.00 H new ATOM 0 HA ILE A 7 8.091 -4.155 -3.812 1.00 0.00 H new ATOM 0 HB ILE A 7 9.833 -4.679 -6.249 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.151 -6.531 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.480 -6.662 -5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.629 -4.914 -4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.899 -3.292 -4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.473 -4.493 -3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.307 -8.258 -5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.739 -7.060 -6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.419 -6.927 -4.830 1.00 0.00 H new ATOM 95 N VAL A 8 8.035 -2.233 -6.440 1.00 0.00 N ATOM 96 CA VAL A 8 8.138 -0.872 -6.947 1.00 0.00 C ATOM 97 C VAL A 8 6.990 -0.030 -6.418 1.00 0.00 C ATOM 98 O VAL A 8 7.187 1.086 -5.933 1.00 0.00 O ATOM 99 CB VAL A 8 8.098 -0.838 -8.489 1.00 0.00 C ATOM 100 CG1 VAL A 8 8.267 0.587 -9.000 1.00 0.00 C ATOM 101 CG2 VAL A 8 9.152 -1.763 -9.081 1.00 0.00 C ATOM 0 H VAL A 8 7.593 -2.886 -7.087 1.00 0.00 H new ATOM 0 HA VAL A 8 9.093 -0.471 -6.608 1.00 0.00 H new ATOM 0 HB VAL A 8 7.121 -1.198 -8.813 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.236 0.589 -10.090 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.461 1.210 -8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.225 0.983 -8.664 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.103 -1.721 -10.169 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.141 -1.447 -8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.968 -2.785 -8.749 1.00 0.00 H new ATOM 111 N ALA A 9 5.787 -0.578 -6.514 1.00 0.00 N ATOM 112 CA ALA A 9 4.595 0.113 -6.053 1.00 0.00 C ATOM 113 C ALA A 9 4.667 0.384 -4.560 1.00 0.00 C ATOM 114 O ALA A 9 4.353 1.482 -4.104 1.00 0.00 O ATOM 115 CB ALA A 9 3.345 -0.691 -6.378 1.00 0.00 C ATOM 0 H ALA A 9 5.612 -1.502 -6.909 1.00 0.00 H new ATOM 0 HA ALA A 9 4.542 1.068 -6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.465 -0.154 -6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.274 -0.833 -7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.400 -1.663 -5.887 1.00 0.00 H new ATOM 121 N ARG A 10 5.113 -0.608 -3.800 1.00 0.00 N ATOM 122 CA ARG A 10 5.127 -0.491 -2.352 1.00 0.00 C ATOM 123 C ARG A 10 6.099 0.596 -1.909 1.00 0.00 C ATOM 124 O ARG A 10 5.917 1.225 -0.868 1.00 0.00 O ATOM 125 CB ARG A 10 5.480 -1.831 -1.709 1.00 0.00 C ATOM 126 CG ARG A 10 6.947 -2.211 -1.798 1.00 0.00 C ATOM 127 CD ARG A 10 7.281 -3.322 -0.818 1.00 0.00 C ATOM 128 NE ARG A 10 6.309 -4.411 -0.889 1.00 0.00 N ATOM 129 CZ ARG A 10 5.576 -4.829 0.144 1.00 0.00 C ATOM 130 NH1 ARG A 10 5.786 -4.328 1.353 1.00 0.00 N ATOM 131 NH2 ARG A 10 4.656 -5.771 -0.032 1.00 0.00 N ATOM 0 H ARG A 10 5.466 -1.494 -4.160 1.00 0.00 H new ATOM 0 HA ARG A 10 4.128 -0.207 -2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.189 -1.802 -0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.887 -2.613 -2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.182 -2.533 -2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.566 -1.338 -1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.278 -3.708 -1.031 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.305 -2.920 0.195 1.00 0.00 H new ATOM 0 HE ARG A 10 6.183 -4.881 -1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.509 -3.622 1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.225 -4.648 2.142 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.510 -6.175 -0.957 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.096 -6.091 0.758 1.00 0.00 H new ATOM 145 N SER A 11 7.124 0.822 -2.714 1.00 0.00 N ATOM 146 CA SER A 11 8.075 1.882 -2.445 1.00 0.00 C ATOM 147 C SER A 11 7.443 3.246 -2.721 1.00 0.00 C ATOM 148 O SER A 11 7.624 4.188 -1.952 1.00 0.00 O ATOM 149 CB SER A 11 9.330 1.685 -3.288 1.00 0.00 C ATOM 150 OG SER A 11 9.908 0.411 -3.034 1.00 0.00 O ATOM 0 H SER A 11 7.317 0.284 -3.559 1.00 0.00 H new ATOM 0 HA SER A 11 8.357 1.846 -1.393 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.082 1.774 -4.346 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.053 2.470 -3.063 1.00 0.00 H new ATOM 0 HG SER A 11 9.479 -0.262 -3.603 1.00 0.00 H new ATOM 156 N ASN A 12 6.672 3.332 -3.803 1.00 0.00 N ATOM 157 CA ASN A 12 5.995 4.577 -4.168 1.00 0.00 C ATOM 158 C ASN A 12 4.944 4.943 -3.125 1.00 0.00 C ATOM 159 O ASN A 12 4.643 6.117 -2.917 1.00 0.00 O ATOM 160 CB ASN A 12 5.329 4.460 -5.547 1.00 0.00 C ATOM 161 CG ASN A 12 6.323 4.273 -6.679 1.00 0.00 C ATOM 162 OD1 ASN A 12 7.471 4.715 -6.604 1.00 0.00 O ATOM 163 ND2 ASN A 12 5.886 3.616 -7.742 1.00 0.00 N ATOM 0 H ASN A 12 6.500 2.556 -4.442 1.00 0.00 H new ATOM 0 HA ASN A 12 6.750 5.362 -4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.636 3.619 -5.538 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.739 5.357 -5.735 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.507 3.461 -8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.929 3.265 -7.767 1.00 0.00 H new ATOM 170 N PHE A 13 4.399 3.923 -2.472 1.00 0.00 N ATOM 171 CA PHE A 13 3.399 4.107 -1.425 1.00 0.00 C ATOM 172 C PHE A 13 3.933 4.998 -0.312 1.00 0.00 C ATOM 173 O PHE A 13 3.292 5.972 0.093 1.00 0.00 O ATOM 174 CB PHE A 13 3.004 2.743 -0.857 1.00 0.00 C ATOM 175 CG PHE A 13 2.057 2.821 0.303 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.804 3.370 0.138 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.421 2.336 1.550 1.00 0.00 C ATOM 178 CE1 PHE A 13 -0.079 3.441 1.196 1.00 0.00 C ATOM 179 CE2 PHE A 13 1.546 2.404 2.614 1.00 0.00 C ATOM 180 CZ PHE A 13 0.291 2.957 2.437 1.00 0.00 C ATOM 0 H PHE A 13 4.637 2.948 -2.652 1.00 0.00 H new ATOM 0 HA PHE A 13 2.525 4.593 -1.858 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.546 2.149 -1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.905 2.216 -0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.510 3.749 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.399 1.901 1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.058 3.874 1.055 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.840 2.027 3.582 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.399 3.011 3.266 1.00 0.00 H new ATOM 190 N ASN A 14 5.115 4.650 0.171 1.00 0.00 N ATOM 191 CA ASN A 14 5.769 5.401 1.235 1.00 0.00 C ATOM 192 C ASN A 14 6.152 6.799 0.767 1.00 0.00 C ATOM 193 O ASN A 14 6.233 7.731 1.568 1.00 0.00 O ATOM 194 CB ASN A 14 7.011 4.655 1.726 1.00 0.00 C ATOM 195 CG ASN A 14 6.667 3.398 2.501 1.00 0.00 C ATOM 196 OD1 ASN A 14 5.598 3.301 3.104 1.00 0.00 O ATOM 197 ND2 ASN A 14 7.570 2.430 2.504 1.00 0.00 N ATOM 0 H ASN A 14 5.647 3.845 -0.160 1.00 0.00 H new ATOM 0 HA ASN A 14 5.062 5.499 2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.634 4.391 0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.602 5.317 2.359 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.391 1.567 3.018 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.445 2.547 1.992 1.00 0.00 H new ATOM 204 N VAL A 15 6.361 6.945 -0.535 1.00 0.00 N ATOM 205 CA VAL A 15 6.750 8.227 -1.109 1.00 0.00 C ATOM 206 C VAL A 15 5.605 9.233 -1.009 1.00 0.00 C ATOM 207 O VAL A 15 5.834 10.422 -0.797 1.00 0.00 O ATOM 208 CB VAL A 15 7.189 8.083 -2.587 1.00 0.00 C ATOM 209 CG1 VAL A 15 7.534 9.433 -3.198 1.00 0.00 C ATOM 210 CG2 VAL A 15 8.373 7.134 -2.710 1.00 0.00 C ATOM 0 H VAL A 15 6.268 6.190 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 15 7.601 8.592 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 15 6.346 7.666 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.838 9.296 -4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.661 10.084 -3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.351 9.888 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.664 7.049 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.211 7.521 -2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.093 6.152 -2.330 1.00 0.00 H new ATOM 220 N CYS A 16 4.369 8.757 -1.133 1.00 0.00 N ATOM 221 CA CYS A 16 3.219 9.643 -1.085 1.00 0.00 C ATOM 222 C CYS A 16 2.840 9.946 0.365 1.00 0.00 C ATOM 223 O CYS A 16 2.275 10.989 0.672 1.00 0.00 O ATOM 224 CB CYS A 16 2.049 9.013 -1.843 1.00 0.00 C ATOM 225 SG CYS A 16 0.486 9.931 -1.712 1.00 0.00 S ATOM 0 H CYS A 16 4.143 7.771 -1.266 1.00 0.00 H new ATOM 0 HA CYS A 16 3.472 10.588 -1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.318 8.927 -2.896 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.894 8.001 -1.470 1.00 0.00 H new ATOM 230 N ARG A 17 3.210 9.046 1.258 1.00 0.00 N ATOM 231 CA ARG A 17 2.891 9.171 2.674 1.00 0.00 C ATOM 232 C ARG A 17 3.871 10.127 3.362 1.00 0.00 C ATOM 233 O ARG A 17 3.640 10.575 4.486 1.00 0.00 O ATOM 234 CB ARG A 17 2.966 7.783 3.307 1.00 0.00 C ATOM 235 CG ARG A 17 2.192 7.619 4.605 1.00 0.00 C ATOM 236 CD ARG A 17 2.228 6.167 5.053 1.00 0.00 C ATOM 237 NE ARG A 17 1.420 5.913 6.246 1.00 0.00 N ATOM 238 CZ ARG A 17 1.868 5.283 7.331 1.00 0.00 C ATOM 239 NH1 ARG A 17 3.158 4.997 7.458 1.00 0.00 N ATOM 240 NH2 ARG A 17 1.030 4.974 8.308 1.00 0.00 N ATOM 0 H ARG A 17 3.740 8.207 1.025 1.00 0.00 H new ATOM 0 HA ARG A 17 1.888 9.581 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.595 7.053 2.587 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.013 7.543 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.622 8.257 5.377 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.160 7.939 4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.873 5.534 4.240 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.260 5.881 5.253 1.00 0.00 H new ATOM 0 HE ARG A 17 0.453 6.239 6.247 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.814 5.260 6.722 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.494 4.514 8.292 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.043 5.218 8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.371 4.492 9.139 1.00 0.00 H new ATOM 254 N LEU A 18 4.958 10.448 2.666 1.00 0.00 N ATOM 255 CA LEU A 18 6.006 11.289 3.195 1.00 0.00 C ATOM 256 C LEU A 18 5.576 12.762 3.309 1.00 0.00 C ATOM 257 O LEU A 18 5.717 13.358 4.377 1.00 0.00 O ATOM 258 CB LEU A 18 7.232 11.156 2.298 1.00 0.00 C ATOM 259 CG LEU A 18 8.290 10.149 2.756 1.00 0.00 C ATOM 260 CD1 LEU A 18 9.376 10.017 1.704 1.00 0.00 C ATOM 261 CD2 LEU A 18 8.889 10.565 4.092 1.00 0.00 C ATOM 0 H LEU A 18 5.129 10.125 1.714 1.00 0.00 H new ATOM 0 HA LEU A 18 6.237 10.958 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.899 10.874 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.703 12.135 2.212 1.00 0.00 H new ATOM 0 HG LEU A 18 7.810 9.179 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.123 9.298 2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.936 9.672 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.850 10.986 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.638 9.835 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.356 11.545 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.102 10.614 4.844 1.00 0.00 H new ATOM 273 N PRO A 19 5.046 13.385 2.225 1.00 0.00 N ATOM 274 CA PRO A 19 4.643 14.798 2.244 1.00 0.00 C ATOM 275 C PRO A 19 3.339 15.039 3.000 1.00 0.00 C ATOM 276 O PRO A 19 2.704 16.077 2.833 1.00 0.00 O ATOM 277 CB PRO A 19 4.459 15.157 0.761 1.00 0.00 C ATOM 278 CG PRO A 19 4.955 13.981 -0.011 1.00 0.00 C ATOM 279 CD PRO A 19 4.816 12.798 0.897 1.00 0.00 C ATOM 0 HA PRO A 19 5.388 15.405 2.758 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.412 15.358 0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.019 16.056 0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.376 13.842 -0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.993 14.122 -0.311 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.829 12.342 0.821 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.545 12.021 0.665 1.00 0.00 H new ATOM 287 N GLY A 20 2.947 14.089 3.831 1.00 0.00 N ATOM 288 CA GLY A 20 1.744 14.253 4.610 1.00 0.00 C ATOM 289 C GLY A 20 0.490 13.982 3.805 1.00 0.00 C ATOM 290 O GLY A 20 -0.506 14.691 3.940 1.00 0.00 O ATOM 0 H GLY A 20 3.440 13.209 3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.775 13.579 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.706 15.268 5.005 1.00 0.00 H new ATOM 294 N THR A 21 0.537 12.960 2.962 1.00 0.00 N ATOM 295 CA THR A 21 -0.616 12.551 2.207 1.00 0.00 C ATOM 296 C THR A 21 -1.123 11.253 2.803 1.00 0.00 C ATOM 297 O THR A 21 -0.334 10.369 3.147 1.00 0.00 O ATOM 298 CB THR A 21 -0.271 12.331 0.729 1.00 0.00 C ATOM 299 OG1 THR A 21 0.635 13.355 0.293 1.00 0.00 O ATOM 300 CG2 THR A 21 -1.517 12.359 -0.149 1.00 0.00 C ATOM 0 H THR A 21 1.373 12.402 2.790 1.00 0.00 H new ATOM 0 HA THR A 21 -1.373 13.333 2.257 1.00 0.00 H new ATOM 0 HB THR A 21 0.190 11.348 0.635 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.545 12.993 0.259 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.233 12.200 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.201 11.571 0.165 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.009 13.327 -0.052 1.00 0.00 H new ATOM 308 N PRO A 22 -2.430 11.148 2.971 1.00 0.00 N ATOM 309 CA PRO A 22 -3.054 9.991 3.565 1.00 0.00 C ATOM 310 C PRO A 22 -2.706 8.726 2.809 1.00 0.00 C ATOM 311 O PRO A 22 -2.992 8.599 1.620 1.00 0.00 O ATOM 312 CB PRO A 22 -4.555 10.285 3.489 1.00 0.00 C ATOM 313 CG PRO A 22 -4.693 11.430 2.544 1.00 0.00 C ATOM 314 CD PRO A 22 -3.390 12.167 2.590 1.00 0.00 C ATOM 0 HA PRO A 22 -2.716 9.822 4.587 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.107 9.415 3.134 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.955 10.537 4.471 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.906 11.078 1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.518 12.079 2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.145 12.607 1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.417 12.982 3.313 1.00 0.00 H new ATOM 322 N GLU A 23 -2.020 7.838 3.506 1.00 0.00 N ATOM 323 CA GLU A 23 -1.754 6.484 3.032 1.00 0.00 C ATOM 324 C GLU A 23 -2.982 5.902 2.321 1.00 0.00 C ATOM 325 O GLU A 23 -2.848 5.178 1.340 1.00 0.00 O ATOM 326 CB GLU A 23 -1.362 5.601 4.219 1.00 0.00 C ATOM 327 CG GLU A 23 -2.418 5.554 5.311 1.00 0.00 C ATOM 328 CD GLU A 23 -1.899 4.977 6.607 1.00 0.00 C ATOM 329 OE1 GLU A 23 -1.298 5.739 7.393 1.00 0.00 O ATOM 330 OE2 GLU A 23 -2.092 3.771 6.846 1.00 0.00 O ATOM 0 H GLU A 23 -1.626 8.035 4.426 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.935 6.516 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.173 4.588 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.428 5.969 4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.791 6.562 5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.263 4.958 4.967 1.00 0.00 H new ATOM 337 N ALA A 24 -4.175 6.256 2.809 1.00 0.00 N ATOM 338 CA ALA A 24 -5.419 5.825 2.191 1.00 0.00 C ATOM 339 C ALA A 24 -5.557 6.388 0.775 1.00 0.00 C ATOM 340 O ALA A 24 -5.832 5.641 -0.166 1.00 0.00 O ATOM 341 CB ALA A 24 -6.612 6.231 3.047 1.00 0.00 C ATOM 0 H ALA A 24 -4.299 6.843 3.634 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.398 4.738 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.533 5.900 2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.528 5.769 4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.629 7.315 3.156 1.00 0.00 H new ATOM 347 N LEU A 25 -5.345 7.698 0.613 1.00 0.00 N ATOM 348 CA LEU A 25 -5.456 8.326 -0.685 1.00 0.00 C ATOM 349 C LEU A 25 -4.328 7.856 -1.595 1.00 0.00 C ATOM 350 O LEU A 25 -4.528 7.647 -2.794 1.00 0.00 O ATOM 351 CB LEU A 25 -5.427 9.845 -0.519 1.00 0.00 C ATOM 352 CG LEU A 25 -5.327 10.622 -1.817 1.00 0.00 C ATOM 353 CD1 LEU A 25 -6.581 10.435 -2.658 1.00 0.00 C ATOM 354 CD2 LEU A 25 -5.074 12.095 -1.541 1.00 0.00 C ATOM 0 H LEU A 25 -5.096 8.334 1.371 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.401 8.042 -1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.330 10.157 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.581 10.112 0.114 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.481 10.232 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.486 11.002 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.708 9.378 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.448 10.791 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.005 12.636 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.895 12.501 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.140 12.207 -0.990 1.00 0.00 H new ATOM 366 N CYS A 26 -3.151 7.657 -1.019 1.00 0.00 N ATOM 367 CA CYS A 26 -2.010 7.182 -1.782 1.00 0.00 C ATOM 368 C CYS A 26 -2.253 5.752 -2.261 1.00 0.00 C ATOM 369 O CYS A 26 -2.004 5.434 -3.420 1.00 0.00 O ATOM 370 CB CYS A 26 -0.723 7.286 -0.954 1.00 0.00 C ATOM 371 SG CYS A 26 -0.475 8.936 -0.236 1.00 0.00 S ATOM 0 H CYS A 26 -2.963 7.817 -0.029 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.887 7.815 -2.661 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.752 6.547 -0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.130 7.038 -1.585 1.00 0.00 H new ATOM 376 N ALA A 27 -2.803 4.915 -1.384 1.00 0.00 N ATOM 377 CA ALA A 27 -3.098 3.521 -1.718 1.00 0.00 C ATOM 378 C ALA A 27 -4.100 3.417 -2.855 1.00 0.00 C ATOM 379 O ALA A 27 -4.131 2.439 -3.601 1.00 0.00 O ATOM 380 CB ALA A 27 -3.611 2.788 -0.489 1.00 0.00 C ATOM 0 H ALA A 27 -3.055 5.179 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.172 3.053 -2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.828 1.752 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.853 2.816 0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.520 3.270 -0.131 1.00 0.00 H new ATOM 386 N THR A 28 -4.881 4.458 -2.992 1.00 0.00 N ATOM 387 CA THR A 28 -5.932 4.529 -4.000 1.00 0.00 C ATOM 388 C THR A 28 -5.343 4.799 -5.389 1.00 0.00 C ATOM 389 O THR A 28 -5.951 4.481 -6.411 1.00 0.00 O ATOM 390 CB THR A 28 -6.944 5.637 -3.640 1.00 0.00 C ATOM 391 OG1 THR A 28 -7.458 5.412 -2.319 1.00 0.00 O ATOM 392 CG2 THR A 28 -8.107 5.688 -4.624 1.00 0.00 C ATOM 0 H THR A 28 -4.813 5.291 -2.408 1.00 0.00 H new ATOM 0 HA THR A 28 -6.443 3.567 -4.021 1.00 0.00 H new ATOM 0 HB THR A 28 -6.417 6.590 -3.687 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.748 5.565 -1.661 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.795 6.482 -4.333 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.727 5.886 -5.626 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.631 4.733 -4.617 1.00 0.00 H new ATOM 400 N TYR A 29 -4.147 5.369 -5.423 1.00 0.00 N ATOM 401 CA TYR A 29 -3.507 5.713 -6.686 1.00 0.00 C ATOM 402 C TYR A 29 -2.320 4.802 -6.955 1.00 0.00 C ATOM 403 O TYR A 29 -2.112 4.337 -8.073 1.00 0.00 O ATOM 404 CB TYR A 29 -3.049 7.172 -6.666 1.00 0.00 C ATOM 405 CG TYR A 29 -2.290 7.585 -7.905 1.00 0.00 C ATOM 406 CD1 TYR A 29 -2.863 7.453 -9.160 1.00 0.00 C ATOM 407 CD2 TYR A 29 -1.004 8.103 -7.820 1.00 0.00 C ATOM 408 CE1 TYR A 29 -2.180 7.829 -10.301 1.00 0.00 C ATOM 409 CE2 TYR A 29 -0.313 8.483 -8.955 1.00 0.00 C ATOM 410 CZ TYR A 29 -0.906 8.343 -10.193 1.00 0.00 C ATOM 411 OH TYR A 29 -0.223 8.719 -11.327 1.00 0.00 O ATOM 0 H TYR A 29 -3.601 5.603 -4.594 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.236 5.578 -7.485 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.921 7.816 -6.553 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.417 7.334 -5.792 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.861 7.049 -9.248 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.537 8.210 -6.852 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.642 7.721 -11.271 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.685 8.887 -8.873 1.00 0.00 H new ATOM 0 HH TYR A 29 0.661 9.062 -11.078 1.00 0.00 H new ATOM 421 N THR A 30 -1.553 4.567 -5.911 1.00 0.00 N ATOM 422 CA THR A 30 -0.359 3.745 -5.978 1.00 0.00 C ATOM 423 C THR A 30 -0.676 2.292 -6.361 1.00 0.00 C ATOM 424 O THR A 30 0.080 1.659 -7.103 1.00 0.00 O ATOM 425 CB THR A 30 0.360 3.777 -4.621 1.00 0.00 C ATOM 426 OG1 THR A 30 0.657 5.133 -4.257 1.00 0.00 O ATOM 427 CG2 THR A 30 1.639 2.979 -4.670 1.00 0.00 C ATOM 0 H THR A 30 -1.741 4.944 -4.982 1.00 0.00 H new ATOM 0 HA THR A 30 0.283 4.156 -6.757 1.00 0.00 H new ATOM 0 HB THR A 30 -0.300 3.333 -3.876 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.148 5.559 -3.895 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.129 3.017 -3.697 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.412 1.943 -4.921 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.301 3.399 -5.427 1.00 0.00 H new ATOM 435 N GLY A 31 -1.788 1.768 -5.854 1.00 0.00 N ATOM 436 CA GLY A 31 -2.181 0.406 -6.179 1.00 0.00 C ATOM 437 C GLY A 31 -2.017 -0.546 -5.011 1.00 0.00 C ATOM 438 O GLY A 31 -2.546 -1.658 -5.029 1.00 0.00 O ATOM 0 H GLY A 31 -2.423 2.260 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.222 0.400 -6.503 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.583 0.051 -7.018 1.00 0.00 H new ATOM 442 N CYS A 32 -1.264 -0.122 -4.007 1.00 0.00 N ATOM 443 CA CYS A 32 -1.089 -0.908 -2.796 1.00 0.00 C ATOM 444 C CYS A 32 -2.377 -0.906 -1.997 1.00 0.00 C ATOM 445 O CYS A 32 -2.984 0.140 -1.805 1.00 0.00 O ATOM 446 CB CYS A 32 0.044 -0.330 -1.953 1.00 0.00 C ATOM 447 SG CYS A 32 1.589 -0.064 -2.879 1.00 0.00 S ATOM 0 H CYS A 32 -0.763 0.766 -4.008 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.836 -1.932 -3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.281 0.619 -1.527 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.243 -1.003 -1.119 1.00 0.00 H new ATOM 452 N ILE A 33 -2.800 -2.066 -1.534 1.00 0.00 N ATOM 453 CA ILE A 33 -4.072 -2.162 -0.843 1.00 0.00 C ATOM 454 C ILE A 33 -3.878 -2.287 0.663 1.00 0.00 C ATOM 455 O ILE A 33 -2.955 -2.960 1.137 1.00 0.00 O ATOM 456 CB ILE A 33 -4.915 -3.342 -1.365 1.00 0.00 C ATOM 457 CG1 ILE A 33 -4.159 -4.661 -1.200 1.00 0.00 C ATOM 458 CG2 ILE A 33 -5.289 -3.116 -2.824 1.00 0.00 C ATOM 459 CD1 ILE A 33 -4.957 -5.877 -1.617 1.00 0.00 C ATOM 0 H ILE A 33 -2.290 -2.945 -1.621 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.613 -1.238 -1.048 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.831 -3.401 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.242 -4.620 -1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.863 -4.772 -0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.884 -3.956 -3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.868 -2.197 -2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.382 -3.033 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.356 -6.774 -1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.861 -5.944 -1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.230 -5.790 -2.669 1.00 0.00 H new ATOM 471 N ILE A 34 -4.747 -1.627 1.412 1.00 0.00 N ATOM 472 CA ILE A 34 -4.685 -1.654 2.863 1.00 0.00 C ATOM 473 C ILE A 34 -5.833 -2.485 3.417 1.00 0.00 C ATOM 474 O ILE A 34 -6.991 -2.073 3.375 1.00 0.00 O ATOM 475 CB ILE A 34 -4.730 -0.232 3.467 1.00 0.00 C ATOM 476 CG1 ILE A 34 -3.590 0.614 2.892 1.00 0.00 C ATOM 477 CG2 ILE A 34 -4.634 -0.301 4.985 1.00 0.00 C ATOM 478 CD1 ILE A 34 -3.607 2.068 3.321 1.00 0.00 C ATOM 0 H ILE A 34 -5.508 -1.063 1.035 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.734 -2.106 3.144 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.679 0.236 3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.640 0.171 3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.634 0.569 1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.667 0.707 5.398 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.470 -0.881 5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.696 -0.779 5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.765 2.591 2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.539 2.532 2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.529 2.128 4.407 1.00 0.00 H new ATOM 490 N ILE A 35 -5.501 -3.661 3.918 1.00 0.00 N ATOM 491 CA ILE A 35 -6.498 -4.566 4.469 1.00 0.00 C ATOM 492 C ILE A 35 -6.689 -4.290 5.962 1.00 0.00 C ATOM 493 O ILE A 35 -5.712 -4.187 6.707 1.00 0.00 O ATOM 494 CB ILE A 35 -6.108 -6.059 4.270 1.00 0.00 C ATOM 495 CG1 ILE A 35 -5.846 -6.382 2.792 1.00 0.00 C ATOM 496 CG2 ILE A 35 -7.198 -6.978 4.799 1.00 0.00 C ATOM 497 CD1 ILE A 35 -4.427 -6.111 2.334 1.00 0.00 C ATOM 0 H ILE A 35 -4.545 -4.014 3.955 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.429 -4.386 3.931 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.189 -6.226 4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.077 -7.432 2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.531 -5.797 2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.903 -8.016 4.649 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.345 -6.793 5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.128 -6.784 4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.330 -6.367 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.195 -5.055 2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.734 -6.716 2.919 1.00 0.00 H new ATOM 509 N PRO A 36 -7.948 -4.136 6.409 1.00 0.00 N ATOM 510 CA PRO A 36 -8.273 -3.960 7.833 1.00 0.00 C ATOM 511 C PRO A 36 -7.986 -5.221 8.653 1.00 0.00 C ATOM 512 O PRO A 36 -7.974 -5.189 9.884 1.00 0.00 O ATOM 513 CB PRO A 36 -9.773 -3.651 7.825 1.00 0.00 C ATOM 514 CG PRO A 36 -10.276 -4.239 6.553 1.00 0.00 C ATOM 515 CD PRO A 36 -9.154 -4.096 5.564 1.00 0.00 C ATOM 0 HA PRO A 36 -7.670 -3.178 8.295 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.272 -4.091 8.689 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.956 -2.577 7.864 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.548 -5.286 6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.170 -3.719 6.208 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.159 -4.903 4.832 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.225 -3.161 5.008 1.00 0.00 H new ATOM 523 N GLY A 37 -7.767 -6.328 7.954 1.00 0.00 N ATOM 524 CA GLY A 37 -7.400 -7.571 8.601 1.00 0.00 C ATOM 525 C GLY A 37 -5.898 -7.726 8.716 1.00 0.00 C ATOM 526 O GLY A 37 -5.193 -6.770 9.036 1.00 0.00 O ATOM 0 H GLY A 37 -7.839 -6.385 6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.846 -7.608 9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.809 -8.409 8.036 1.00 0.00 H new ATOM 530 N ALA A 38 -5.413 -8.927 8.438 1.00 0.00 N ATOM 531 CA ALA A 38 -3.987 -9.227 8.548 1.00 0.00 C ATOM 532 C ALA A 38 -3.604 -10.420 7.689 1.00 0.00 C ATOM 533 O ALA A 38 -2.525 -10.989 7.852 1.00 0.00 O ATOM 534 CB ALA A 38 -3.613 -9.494 9.999 1.00 0.00 C ATOM 0 H ALA A 38 -5.986 -9.714 8.133 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.437 -8.358 8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.548 -9.716 10.065 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.838 -8.614 10.601 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.185 -10.344 10.372 1.00 0.00 H new ATOM 540 N THR A 39 -4.468 -10.787 6.764 1.00 0.00 N ATOM 541 CA THR A 39 -4.208 -11.937 5.931 1.00 0.00 C ATOM 542 C THR A 39 -4.157 -11.548 4.461 1.00 0.00 C ATOM 543 O THR A 39 -5.180 -11.267 3.833 1.00 0.00 O ATOM 544 CB THR A 39 -5.272 -13.017 6.113 1.00 0.00 C ATOM 545 OG1 THR A 39 -5.574 -13.199 7.504 1.00 0.00 O ATOM 546 CG2 THR A 39 -4.804 -14.333 5.526 1.00 0.00 C ATOM 0 H THR A 39 -5.348 -10.308 6.573 1.00 0.00 H new ATOM 0 HA THR A 39 -3.241 -12.333 6.241 1.00 0.00 H new ATOM 0 HB THR A 39 -6.171 -12.691 5.590 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.259 -13.893 7.602 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.577 -15.089 5.666 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.608 -14.207 4.461 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.890 -14.651 6.028 1.00 0.00 H new ATOM 554 N CYS A 40 -2.961 -11.518 3.934 1.00 0.00 N ATOM 555 CA CYS A 40 -2.753 -11.303 2.510 1.00 0.00 C ATOM 556 C CYS A 40 -1.730 -12.305 1.988 1.00 0.00 C ATOM 557 O CYS A 40 -0.718 -12.561 2.643 1.00 0.00 O ATOM 558 CB CYS A 40 -2.311 -9.858 2.222 1.00 0.00 C ATOM 559 SG CYS A 40 -0.765 -9.342 3.040 1.00 0.00 S ATOM 0 H CYS A 40 -2.102 -11.640 4.470 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.698 -11.458 1.990 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.191 -9.740 1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.109 -9.183 2.530 1.00 0.00 H new ATOM 564 N PRO A 41 -1.996 -12.913 0.822 1.00 0.00 N ATOM 565 CA PRO A 41 -1.124 -13.942 0.247 1.00 0.00 C ATOM 566 C PRO A 41 0.231 -13.393 -0.188 1.00 0.00 C ATOM 567 O PRO A 41 0.478 -12.185 -0.135 1.00 0.00 O ATOM 568 CB PRO A 41 -1.912 -14.445 -0.962 1.00 0.00 C ATOM 569 CG PRO A 41 -2.789 -13.304 -1.329 1.00 0.00 C ATOM 570 CD PRO A 41 -3.170 -12.654 -0.032 1.00 0.00 C ATOM 0 HA PRO A 41 -0.888 -14.720 0.973 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.249 -14.718 -1.783 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.496 -15.332 -0.715 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.268 -12.603 -1.980 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.671 -13.646 -1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.354 -11.587 -0.154 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.078 -13.088 0.386 1.00 0.00 H new ATOM 578 N GLY A 42 1.094 -14.284 -0.652 1.00 0.00 N ATOM 579 CA GLY A 42 2.454 -13.909 -0.964 1.00 0.00 C ATOM 580 C GLY A 42 2.617 -13.316 -2.349 1.00 0.00 C ATOM 581 O GLY A 42 3.694 -13.401 -2.929 1.00 0.00 O ATOM 0 H GLY A 42 0.873 -15.266 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.801 -13.187 -0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.094 -14.787 -0.876 1.00 0.00 H new ATOM 585 N ASP A 43 1.553 -12.744 -2.896 1.00 0.00 N ATOM 586 CA ASP A 43 1.663 -11.972 -4.128 1.00 0.00 C ATOM 587 C ASP A 43 1.391 -10.514 -3.803 1.00 0.00 C ATOM 588 O ASP A 43 1.752 -9.612 -4.557 1.00 0.00 O ATOM 589 CB ASP A 43 0.698 -12.488 -5.205 1.00 0.00 C ATOM 590 CG ASP A 43 -0.758 -12.230 -4.873 1.00 0.00 C ATOM 591 OD1 ASP A 43 -1.191 -12.630 -3.776 1.00 0.00 O ATOM 592 OD2 ASP A 43 -1.473 -11.656 -5.720 1.00 0.00 O ATOM 0 H ASP A 43 0.610 -12.799 -2.510 1.00 0.00 H new ATOM 0 HA ASP A 43 2.668 -12.080 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.937 -12.013 -6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.850 -13.559 -5.337 1.00 0.00 H new ATOM 597 N TYR A 44 0.762 -10.294 -2.649 1.00 0.00 N ATOM 598 CA TYR A 44 0.563 -8.951 -2.124 1.00 0.00 C ATOM 599 C TYR A 44 1.628 -8.642 -1.083 1.00 0.00 C ATOM 600 O TYR A 44 1.610 -7.591 -0.444 1.00 0.00 O ATOM 601 CB TYR A 44 -0.826 -8.798 -1.498 1.00 0.00 C ATOM 602 CG TYR A 44 -1.955 -9.146 -2.435 1.00 0.00 C ATOM 603 CD1 TYR A 44 -1.875 -8.843 -3.784 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.103 -9.771 -1.971 1.00 0.00 C ATOM 605 CE1 TYR A 44 -2.902 -9.156 -4.650 1.00 0.00 C ATOM 606 CE2 TYR A 44 -4.137 -10.091 -2.829 1.00 0.00 C ATOM 607 CZ TYR A 44 -4.032 -9.781 -4.168 1.00 0.00 C ATOM 608 OH TYR A 44 -5.055 -10.099 -5.030 1.00 0.00 O ATOM 0 H TYR A 44 0.381 -11.035 -2.060 1.00 0.00 H new ATOM 0 HA TYR A 44 0.643 -8.249 -2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.889 -9.434 -0.615 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.951 -7.770 -1.159 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.992 -8.352 -4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.190 -10.011 -0.922 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.821 -8.913 -5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.023 -10.581 -2.453 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.778 -10.536 -4.533 1.00 0.00 H new ATOM 618 N ALA A 45 2.544 -9.577 -0.909 1.00 0.00 N ATOM 619 CA ALA A 45 3.631 -9.411 0.042 1.00 0.00 C ATOM 620 C ALA A 45 4.945 -9.146 -0.679 1.00 0.00 C ATOM 621 O ALA A 45 6.022 -9.306 -0.105 1.00 0.00 O ATOM 622 CB ALA A 45 3.750 -10.643 0.924 1.00 0.00 C ATOM 0 H ALA A 45 2.558 -10.463 -1.415 1.00 0.00 H new ATOM 0 HA ALA A 45 3.408 -8.549 0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.568 -10.506 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.818 -10.791 1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.950 -11.517 0.304 1.00 0.00 H new ATOM 628 N ASN A 46 4.841 -8.731 -1.931 1.00 0.00 N ATOM 629 CA ASN A 46 6.010 -8.455 -2.753 1.00 0.00 C ATOM 630 C ASN A 46 6.514 -7.042 -2.514 1.00 0.00 C ATOM 631 O ASN A 46 7.611 -6.885 -1.944 1.00 0.00 O ATOM 632 CB ASN A 46 5.691 -8.641 -4.236 1.00 0.00 C ATOM 633 CG ASN A 46 5.617 -10.099 -4.642 1.00 0.00 C ATOM 634 OD1 ASN A 46 5.169 -10.954 -3.879 1.00 0.00 O ATOM 635 ND2 ASN A 46 6.072 -10.393 -5.849 1.00 0.00 N ATOM 636 OXT ASN A 46 5.790 -6.090 -2.874 1.00 0.00 O ATOM 0 H ASN A 46 3.951 -8.577 -2.404 1.00 0.00 H new ATOM 0 HA ASN A 46 6.788 -9.163 -2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.741 -8.157 -4.462 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.454 -8.141 -4.833 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.059 -11.359 -6.178 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.435 -9.654 -6.451 1.00 0.00 H new