USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 579 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 Set 1.1: A 37 SER OG : rot 77:sc= 1.06 USER MOD Set 1.2: A 42 SER OG : rot 50:sc= 0.00717 USER MOD Set 2.1: A 13 HIS : no HE2:sc= -0.496 X(o=3.8,f=3.4) USER MOD Set 2.2: A 17 CYS SG : rot -45:sc= 1.03 USER MOD Set 2.3: A 65 SER OG : rot 106:sc= 1.92 USER MOD Set 2.4: A 69 TYR OH : rot 15:sc= 1.3 USER MOD Set 3.1: A 3 SER OG : rot -145:sc= 1.42 USER MOD Set 3.2: A 47 TYR OH : rot 155:sc= 0.771 USER MOD Single : A 1 ASN : amide:sc= 0.699 K(o=0.7,f=0) USER MOD Single : A 1 ASN N :NH3+ 131:sc= 0.0924 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 22:sc= 0.785 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 139:sc= -0.986 (180deg=-3.4!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= 0.226 (180deg=-0.403) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 83:sc= 0.749 USER MOD Single : A 26 SER OG : rot -37:sc= 0.834 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -37:sc= 0.163 USER MOD Single : A 33 SER OG : rot 53:sc= 1.22 USER MOD Single : A 40 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.016) USER MOD Single : A 48 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 13:sc= 1.25 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 2.44 (180deg=2.2) USER MOD Single : A 72 SER OG : rot 68:sc= 0.808 USER MOD Single : A 74 THR OG1 : rot 48:sc= 0.562 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -13.487 -13.305 -8.423 1.00 0.00 N ATOM 2 CA ASN A 1 -12.066 -13.034 -8.216 1.00 0.00 C ATOM 3 C ASN A 1 -11.942 -11.853 -7.242 1.00 0.00 C ATOM 4 O ASN A 1 -12.824 -10.992 -7.206 1.00 0.00 O ATOM 5 CB ASN A 1 -11.425 -12.717 -9.581 1.00 0.00 C ATOM 6 CG ASN A 1 -9.899 -12.801 -9.583 1.00 0.00 C ATOM 7 OD1 ASN A 1 -9.327 -13.747 -10.107 1.00 0.00 O ATOM 8 ND2 ASN A 1 -9.194 -11.831 -9.029 1.00 0.00 N ATOM 0 H1 ASN A 1 -13.681 -13.380 -9.442 1.00 0.00 H new ATOM 0 H2 ASN A 1 -13.742 -14.198 -7.956 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.051 -12.530 -8.019 1.00 0.00 H new ATOM 0 HA ASN A 1 -11.548 -13.893 -7.788 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -11.818 -13.409 -10.326 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -11.724 -11.715 -9.888 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -8.175 -11.872 -9.039 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -9.669 -11.041 -8.592 1.00 0.00 H new ATOM 15 N ASP A 2 -10.859 -11.803 -6.472 1.00 0.00 N ATOM 16 CA ASP A 2 -10.486 -10.665 -5.631 1.00 0.00 C ATOM 17 C ASP A 2 -10.185 -9.379 -6.428 1.00 0.00 C ATOM 18 O ASP A 2 -10.008 -9.393 -7.648 1.00 0.00 O ATOM 19 CB ASP A 2 -9.287 -11.073 -4.771 1.00 0.00 C ATOM 20 CG ASP A 2 -9.655 -12.228 -3.836 1.00 0.00 C ATOM 21 OD1 ASP A 2 -9.633 -13.384 -4.313 1.00 0.00 O ATOM 22 OD2 ASP A 2 -10.036 -11.916 -2.685 1.00 0.00 O ATOM 0 H ASP A 2 -10.195 -12.575 -6.413 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.342 -10.416 -5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.458 -11.369 -5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.947 -10.219 -4.185 1.00 0.00 H new ATOM 27 N SER A 3 -10.105 -8.255 -5.716 1.00 0.00 N ATOM 28 CA SER A 3 -9.713 -6.955 -6.262 1.00 0.00 C ATOM 29 C SER A 3 -8.212 -6.676 -6.047 1.00 0.00 C ATOM 30 O SER A 3 -7.479 -7.447 -5.420 1.00 0.00 O ATOM 31 CB SER A 3 -10.574 -5.851 -5.632 1.00 0.00 C ATOM 32 OG SER A 3 -10.394 -4.608 -6.296 1.00 0.00 O ATOM 0 H SER A 3 -10.316 -8.222 -4.719 1.00 0.00 H new ATOM 0 HA SER A 3 -9.882 -6.969 -7.339 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.625 -6.139 -5.674 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.315 -5.743 -4.579 1.00 0.00 H new ATOM 0 HG SER A 3 -10.444 -3.878 -5.644 1.00 0.00 H new ATOM 38 N THR A 4 -7.733 -5.545 -6.569 1.00 0.00 N ATOM 39 CA THR A 4 -6.318 -5.164 -6.617 1.00 0.00 C ATOM 40 C THR A 4 -6.205 -3.683 -6.924 1.00 0.00 C ATOM 41 O THR A 4 -7.031 -3.107 -7.630 1.00 0.00 O ATOM 42 CB THR A 4 -5.563 -6.025 -7.645 1.00 0.00 C ATOM 43 OG1 THR A 4 -5.324 -7.279 -7.068 1.00 0.00 O ATOM 44 CG2 THR A 4 -4.186 -5.508 -8.069 1.00 0.00 C ATOM 0 H THR A 4 -8.343 -4.842 -6.986 1.00 0.00 H new ATOM 0 HA THR A 4 -5.855 -5.346 -5.647 1.00 0.00 H new ATOM 0 HB THR A 4 -6.201 -6.027 -8.529 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.962 -7.431 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.748 -6.193 -8.795 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.291 -4.521 -8.519 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.538 -5.441 -7.195 1.00 0.00 H new ATOM 52 N ALA A 5 -5.145 -3.081 -6.401 1.00 0.00 N ATOM 53 CA ALA A 5 -4.709 -1.731 -6.721 1.00 0.00 C ATOM 54 C ALA A 5 -3.203 -1.579 -6.468 1.00 0.00 C ATOM 55 O ALA A 5 -2.607 -2.314 -5.667 1.00 0.00 O ATOM 56 CB ALA A 5 -5.538 -0.732 -5.907 1.00 0.00 C ATOM 0 H ALA A 5 -4.543 -3.538 -5.716 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.871 -1.526 -7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.217 0.283 -6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.593 -0.846 -6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.394 -0.922 -4.843 1.00 0.00 H new ATOM 62 N THR A 6 -2.595 -0.594 -7.138 1.00 0.00 N ATOM 63 CA THR A 6 -1.189 -0.226 -6.948 1.00 0.00 C ATOM 64 C THR A 6 -1.095 1.208 -6.477 1.00 0.00 C ATOM 65 O THR A 6 -1.750 2.097 -7.018 1.00 0.00 O ATOM 66 CB THR A 6 -0.379 -0.385 -8.225 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.530 -1.705 -8.688 1.00 0.00 O ATOM 68 CG2 THR A 6 1.106 -0.113 -7.991 1.00 0.00 C ATOM 0 H THR A 6 -3.072 -0.023 -7.836 1.00 0.00 H new ATOM 0 HA THR A 6 -0.774 -0.901 -6.199 1.00 0.00 H new ATOM 0 HB THR A 6 -0.744 0.337 -8.956 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.014 -1.823 -9.513 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.651 -0.237 -8.927 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.236 0.906 -7.628 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.492 -0.814 -7.251 1.00 0.00 H new ATOM 76 N PHE A 7 -0.235 1.400 -5.486 1.00 0.00 N ATOM 77 CA PHE A 7 -0.030 2.652 -4.776 1.00 0.00 C ATOM 78 C PHE A 7 1.453 3.018 -4.735 1.00 0.00 C ATOM 79 O PHE A 7 2.317 2.153 -4.601 1.00 0.00 O ATOM 80 CB PHE A 7 -0.571 2.545 -3.344 1.00 0.00 C ATOM 81 CG PHE A 7 -1.982 1.979 -3.220 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.209 0.586 -3.278 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.086 2.847 -3.108 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.513 0.079 -3.267 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.393 2.328 -3.083 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.607 0.947 -3.163 1.00 0.00 C ATOM 0 H PHE A 7 0.366 0.652 -5.140 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.570 3.434 -5.310 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.106 1.919 -2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.554 3.537 -2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.370 -0.092 -3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.928 3.913 -3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.677 -0.986 -3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.236 2.998 -3.002 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.612 0.552 -3.145 1.00 0.00 H new ATOM 96 N ILE A 8 1.770 4.309 -4.795 1.00 0.00 N ATOM 97 CA ILE A 8 3.124 4.843 -4.740 1.00 0.00 C ATOM 98 C ILE A 8 3.250 5.906 -3.665 1.00 0.00 C ATOM 99 O ILE A 8 2.348 6.715 -3.475 1.00 0.00 O ATOM 100 CB ILE A 8 3.521 5.344 -6.144 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.039 5.566 -6.212 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.770 6.613 -6.584 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.617 5.364 -7.611 1.00 0.00 C ATOM 0 H ILE A 8 1.062 5.038 -4.887 1.00 0.00 H new ATOM 0 HA ILE A 8 3.825 4.059 -4.455 1.00 0.00 H new ATOM 0 HB ILE A 8 3.227 4.564 -6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.267 6.577 -5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.531 4.881 -5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.102 6.905 -7.580 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.699 6.414 -6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.977 7.420 -5.882 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.693 5.536 -7.588 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.419 4.345 -7.943 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.152 6.067 -8.302 1.00 0.00 H new ATOM 115 N ILE A 9 4.369 5.869 -2.950 1.00 0.00 N ATOM 116 CA ILE A 9 4.676 6.679 -1.790 1.00 0.00 C ATOM 117 C ILE A 9 5.833 7.619 -2.105 1.00 0.00 C ATOM 118 O ILE A 9 7.004 7.262 -1.985 1.00 0.00 O ATOM 119 CB ILE A 9 5.062 5.757 -0.615 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.077 4.606 -0.315 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.203 6.652 0.616 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.348 3.297 -1.046 1.00 0.00 C ATOM 0 H ILE A 9 5.129 5.231 -3.185 1.00 0.00 H new ATOM 0 HA ILE A 9 3.802 7.271 -1.520 1.00 0.00 H new ATOM 0 HB ILE A 9 5.986 5.249 -0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.090 4.411 0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.070 4.939 -0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.477 6.044 1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.978 7.397 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.255 7.154 0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.597 2.559 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.302 3.465 -2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.338 2.929 -0.778 1.00 0.00 H new ATOM 134 N ASP A 10 5.519 8.854 -2.449 1.00 0.00 N ATOM 135 CA ASP A 10 6.551 9.814 -2.813 1.00 0.00 C ATOM 136 C ASP A 10 7.128 10.523 -1.575 1.00 0.00 C ATOM 137 O ASP A 10 6.787 11.653 -1.221 1.00 0.00 O ATOM 138 CB ASP A 10 6.012 10.680 -3.950 1.00 0.00 C ATOM 139 CG ASP A 10 6.660 10.293 -5.292 1.00 0.00 C ATOM 140 OD1 ASP A 10 6.882 9.080 -5.539 1.00 0.00 O ATOM 141 OD2 ASP A 10 7.004 11.189 -6.087 1.00 0.00 O ATOM 0 H ASP A 10 4.566 9.217 -2.485 1.00 0.00 H new ATOM 0 HA ASP A 10 7.444 9.336 -3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.930 10.566 -4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.209 11.731 -3.737 1.00 0.00 H new ATOM 146 N GLY A 11 8.008 9.774 -0.901 1.00 0.00 N ATOM 147 CA GLY A 11 8.740 10.184 0.303 1.00 0.00 C ATOM 148 C GLY A 11 9.067 9.075 1.310 1.00 0.00 C ATOM 149 O GLY A 11 9.434 9.404 2.433 1.00 0.00 O ATOM 0 H GLY A 11 8.240 8.824 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.675 10.651 -0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.156 10.949 0.814 1.00 0.00 H new ATOM 153 N MET A 12 8.919 7.783 0.984 1.00 0.00 N ATOM 154 CA MET A 12 9.185 6.715 1.967 1.00 0.00 C ATOM 155 C MET A 12 10.683 6.566 2.310 1.00 0.00 C ATOM 156 O MET A 12 11.546 6.783 1.467 1.00 0.00 O ATOM 157 CB MET A 12 8.509 5.393 1.536 1.00 0.00 C ATOM 158 CG MET A 12 9.302 4.463 0.628 1.00 0.00 C ATOM 159 SD MET A 12 9.682 5.145 -1.005 1.00 0.00 S ATOM 160 CE MET A 12 10.997 4.022 -1.537 1.00 0.00 C ATOM 0 H MET A 12 8.622 7.453 0.066 1.00 0.00 H new ATOM 0 HA MET A 12 8.725 7.012 2.909 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.246 4.840 2.438 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.576 5.641 1.031 1.00 0.00 H new ATOM 0 HG2 MET A 12 10.237 4.202 1.125 1.00 0.00 H new ATOM 0 HG3 MET A 12 8.741 3.538 0.499 1.00 0.00 H new ATOM 0 HE1 MET A 12 10.862 3.776 -2.590 1.00 0.00 H new ATOM 0 HE2 MET A 12 11.965 4.504 -1.398 1.00 0.00 H new ATOM 0 HE3 MET A 12 10.958 3.109 -0.943 1.00 0.00 H new ATOM 170 N HIS A 13 11.023 6.105 3.518 1.00 0.00 N ATOM 171 CA HIS A 13 12.407 5.827 3.959 1.00 0.00 C ATOM 172 C HIS A 13 13.055 4.586 3.277 1.00 0.00 C ATOM 173 O HIS A 13 13.752 3.790 3.915 1.00 0.00 O ATOM 174 CB HIS A 13 12.476 5.652 5.488 1.00 0.00 C ATOM 175 CG HIS A 13 11.892 6.719 6.382 1.00 0.00 C ATOM 176 ND1 HIS A 13 11.885 6.660 7.758 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.287 7.897 6.035 1.00 0.00 C ATOM 178 CE1 HIS A 13 11.293 7.768 8.226 1.00 0.00 C ATOM 179 NE2 HIS A 13 10.913 8.553 7.213 1.00 0.00 N ATOM 0 H HIS A 13 10.330 5.907 4.240 1.00 0.00 H new ATOM 0 HA HIS A 13 12.981 6.700 3.649 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.980 4.713 5.733 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.526 5.538 5.757 1.00 0.00 H new ATOM 0 HD1 HIS A 13 12.266 5.902 8.325 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.127 8.257 5.029 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.144 7.994 9.272 1.00 0.00 H new ATOM 187 N CYS A 14 12.765 4.349 1.997 1.00 0.00 N ATOM 188 CA CYS A 14 13.432 3.349 1.161 1.00 0.00 C ATOM 189 C CYS A 14 13.174 1.929 1.686 1.00 0.00 C ATOM 190 O CYS A 14 12.056 1.628 2.107 1.00 0.00 O ATOM 191 CB CYS A 14 14.905 3.754 0.965 1.00 0.00 C ATOM 192 SG CYS A 14 14.968 5.291 0.000 1.00 0.00 S ATOM 0 H CYS A 14 12.038 4.862 1.498 1.00 0.00 H new ATOM 0 HA CYS A 14 13.007 3.322 0.158 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.389 3.895 1.931 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.448 2.962 0.449 1.00 0.00 H new ATOM 0 HG CYS A 14 16.207 5.646 -0.171 1.00 0.00 H new ATOM 198 N LYS A 15 14.165 1.037 1.626 1.00 0.00 N ATOM 199 CA LYS A 15 13.994 -0.398 1.893 1.00 0.00 C ATOM 200 C LYS A 15 13.402 -0.690 3.291 1.00 0.00 C ATOM 201 O LYS A 15 12.530 -1.546 3.418 1.00 0.00 O ATOM 202 CB LYS A 15 15.336 -1.111 1.640 1.00 0.00 C ATOM 203 CG LYS A 15 15.565 -1.487 0.161 1.00 0.00 C ATOM 204 CD LYS A 15 15.493 -0.325 -0.846 1.00 0.00 C ATOM 205 CE LYS A 15 15.916 -0.743 -2.265 1.00 0.00 C ATOM 206 NZ LYS A 15 15.792 0.403 -3.207 1.00 0.00 N ATOM 0 H LYS A 15 15.123 1.292 1.387 1.00 0.00 H new ATOM 0 HA LYS A 15 13.249 -0.798 1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.149 -0.466 1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.378 -2.015 2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.544 -1.958 0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 15 14.824 -2.235 -0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.475 0.064 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.135 0.487 -0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.945 -1.101 -2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.295 -1.571 -2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.338 0.204 -4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.792 0.542 -3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.160 1.265 -2.756 1.00 0.00 H new ATOM 220 N SER A 16 13.773 0.075 4.319 1.00 0.00 N ATOM 221 CA SER A 16 13.155 -0.049 5.646 1.00 0.00 C ATOM 222 C SER A 16 11.678 0.361 5.648 1.00 0.00 C ATOM 223 O SER A 16 10.854 -0.380 6.178 1.00 0.00 O ATOM 224 CB SER A 16 13.916 0.794 6.681 1.00 0.00 C ATOM 225 OG SER A 16 15.320 0.631 6.548 1.00 0.00 O ATOM 0 H SER A 16 14.499 0.789 4.261 1.00 0.00 H new ATOM 0 HA SER A 16 13.211 -1.104 5.914 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.657 1.846 6.558 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.608 0.505 7.686 1.00 0.00 H new ATOM 0 HG SER A 16 15.778 1.180 7.218 1.00 0.00 H new ATOM 231 N CYS A 17 11.310 1.493 5.021 1.00 0.00 N ATOM 232 CA CYS A 17 9.903 1.853 4.858 1.00 0.00 C ATOM 233 C CYS A 17 9.162 0.800 4.046 1.00 0.00 C ATOM 234 O CYS A 17 8.151 0.321 4.531 1.00 0.00 O ATOM 235 CB CYS A 17 9.803 3.258 4.272 1.00 0.00 C ATOM 236 SG CYS A 17 9.337 4.418 5.598 1.00 0.00 S ATOM 0 H CYS A 17 11.967 2.165 4.624 1.00 0.00 H new ATOM 0 HA CYS A 17 9.408 1.874 5.829 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.756 3.552 3.832 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.062 3.281 3.473 1.00 0.00 H new ATOM 0 HG CYS A 17 8.372 3.907 6.303 1.00 0.00 H new ATOM 242 N VAL A 18 9.689 0.415 2.887 1.00 0.00 N ATOM 243 CA VAL A 18 9.142 -0.597 1.970 1.00 0.00 C ATOM 244 C VAL A 18 8.672 -1.866 2.716 1.00 0.00 C ATOM 245 O VAL A 18 7.534 -2.292 2.527 1.00 0.00 O ATOM 246 CB VAL A 18 10.194 -0.870 0.869 1.00 0.00 C ATOM 247 CG1 VAL A 18 10.008 -2.171 0.109 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.203 0.287 -0.150 1.00 0.00 C ATOM 0 H VAL A 18 10.558 0.820 2.537 1.00 0.00 H new ATOM 0 HA VAL A 18 8.237 -0.222 1.492 1.00 0.00 H new ATOM 0 HB VAL A 18 11.140 -0.953 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.794 -2.271 -0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.061 -3.009 0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.036 -2.169 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.946 0.087 -0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.218 0.375 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.451 1.218 0.359 1.00 0.00 H new ATOM 258 N SER A 19 9.478 -2.408 3.636 1.00 0.00 N ATOM 259 CA SER A 19 9.077 -3.572 4.453 1.00 0.00 C ATOM 260 C SER A 19 7.924 -3.271 5.431 1.00 0.00 C ATOM 261 O SER A 19 6.965 -4.044 5.508 1.00 0.00 O ATOM 262 CB SER A 19 10.311 -4.062 5.228 1.00 0.00 C ATOM 263 OG SER A 19 10.067 -5.280 5.915 1.00 0.00 O ATOM 0 H SER A 19 10.416 -2.062 3.838 1.00 0.00 H new ATOM 0 HA SER A 19 8.700 -4.339 3.777 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.142 -4.198 4.536 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.615 -3.298 5.944 1.00 0.00 H new ATOM 0 HG SER A 19 10.878 -5.555 6.392 1.00 0.00 H new ATOM 269 N ASN A 20 7.928 -2.119 6.121 1.00 0.00 N ATOM 270 CA ASN A 20 6.779 -1.714 6.955 1.00 0.00 C ATOM 271 C ASN A 20 5.462 -1.684 6.187 1.00 0.00 C ATOM 272 O ASN A 20 4.408 -1.958 6.760 1.00 0.00 O ATOM 273 CB ASN A 20 6.940 -0.293 7.477 1.00 0.00 C ATOM 274 CG ASN A 20 8.105 -0.129 8.415 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.910 0.871 8.149 1.00 0.00 O flip ATOM 276 ND2 ASN A 20 8.309 -0.868 9.361 1.00 0.00 N flip ATOM 0 H ASN A 20 8.704 -1.456 6.120 1.00 0.00 H new ATOM 0 HA ASN A 20 6.757 -2.458 7.751 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.065 0.384 6.632 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.025 0.003 7.990 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.671 -1.641 9.551 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.118 -0.714 9.963 1.00 0.00 H new ATOM 283 N ILE A 21 5.518 -1.284 4.914 1.00 0.00 N ATOM 284 CA ILE A 21 4.320 -1.094 4.091 1.00 0.00 C ATOM 285 C ILE A 21 3.697 -2.448 3.781 1.00 0.00 C ATOM 286 O ILE A 21 2.487 -2.581 3.911 1.00 0.00 O ATOM 287 CB ILE A 21 4.609 -0.289 2.805 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.715 0.786 2.989 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.270 0.245 2.272 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.712 1.921 1.960 1.00 0.00 C ATOM 0 H ILE A 21 6.391 -1.083 4.426 1.00 0.00 H new ATOM 0 HA ILE A 21 3.607 -0.498 4.660 1.00 0.00 H new ATOM 0 HB ILE A 21 5.044 -0.940 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.612 1.221 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.686 0.292 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.444 0.819 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.606 -0.591 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.809 0.887 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.523 2.615 2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.850 1.507 0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.760 2.450 2.005 1.00 0.00 H new ATOM 302 N GLU A 22 4.520 -3.461 3.514 1.00 0.00 N ATOM 303 CA GLU A 22 4.065 -4.844 3.424 1.00 0.00 C ATOM 304 C GLU A 22 3.483 -5.356 4.742 1.00 0.00 C ATOM 305 O GLU A 22 2.372 -5.872 4.744 1.00 0.00 O ATOM 306 CB GLU A 22 5.214 -5.732 2.927 1.00 0.00 C ATOM 307 CG GLU A 22 4.997 -6.007 1.439 1.00 0.00 C ATOM 308 CD GLU A 22 6.112 -6.832 0.808 1.00 0.00 C ATOM 309 OE1 GLU A 22 7.119 -7.090 1.500 1.00 0.00 O ATOM 310 OE2 GLU A 22 5.953 -7.127 -0.404 1.00 0.00 O ATOM 0 H GLU A 22 5.521 -3.344 3.354 1.00 0.00 H new ATOM 0 HA GLU A 22 3.248 -4.886 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.172 -5.238 3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.241 -6.667 3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.049 -6.530 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.913 -5.058 0.910 1.00 0.00 H new ATOM 317 N SER A 23 4.167 -5.179 5.871 1.00 0.00 N ATOM 318 CA SER A 23 3.676 -5.695 7.158 1.00 0.00 C ATOM 319 C SER A 23 2.374 -5.030 7.643 1.00 0.00 C ATOM 320 O SER A 23 1.451 -5.713 8.095 1.00 0.00 O ATOM 321 CB SER A 23 4.813 -5.517 8.170 1.00 0.00 C ATOM 322 OG SER A 23 4.543 -6.124 9.419 1.00 0.00 O ATOM 0 H SER A 23 5.058 -4.686 5.926 1.00 0.00 H new ATOM 0 HA SER A 23 3.407 -6.745 7.041 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.729 -5.940 7.757 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.994 -4.453 8.321 1.00 0.00 H new ATOM 0 HG SER A 23 5.301 -5.980 10.023 1.00 0.00 H new ATOM 328 N THR A 24 2.277 -3.701 7.501 1.00 0.00 N ATOM 329 CA THR A 24 1.123 -2.891 7.916 1.00 0.00 C ATOM 330 C THR A 24 -0.079 -3.168 7.035 1.00 0.00 C ATOM 331 O THR A 24 -1.199 -3.263 7.530 1.00 0.00 O ATOM 332 CB THR A 24 1.478 -1.393 7.938 1.00 0.00 C ATOM 333 OG1 THR A 24 2.577 -1.231 8.796 1.00 0.00 O ATOM 334 CG2 THR A 24 0.345 -0.517 8.472 1.00 0.00 C ATOM 0 H THR A 24 3.021 -3.143 7.082 1.00 0.00 H new ATOM 0 HA THR A 24 0.856 -3.177 8.933 1.00 0.00 H new ATOM 0 HB THR A 24 1.683 -1.085 6.913 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.404 -1.436 8.311 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.657 0.527 8.462 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.536 -0.638 7.842 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.105 -0.815 9.493 1.00 0.00 H new ATOM 342 N LEU A 25 0.143 -3.304 5.730 1.00 0.00 N ATOM 343 CA LEU A 25 -0.919 -3.635 4.794 1.00 0.00 C ATOM 344 C LEU A 25 -1.338 -5.088 4.908 1.00 0.00 C ATOM 345 O LEU A 25 -2.533 -5.341 4.960 1.00 0.00 O ATOM 346 CB LEU A 25 -0.492 -3.302 3.363 1.00 0.00 C ATOM 347 CG LEU A 25 -0.495 -1.803 2.980 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.805 -1.481 2.254 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.307 -0.800 4.138 1.00 0.00 C ATOM 0 H LEU A 25 1.059 -3.188 5.297 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.787 -3.028 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.513 -3.694 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.152 -3.832 2.676 1.00 0.00 H new ATOM 0 HG LEU A 25 0.385 -1.672 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.819 -0.426 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.882 -2.092 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.648 -1.695 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.327 0.217 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.112 -0.925 4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.651 -0.982 4.625 1.00 0.00 H new ATOM 361 N SER A 26 -0.413 -6.044 4.970 1.00 0.00 N ATOM 362 CA SER A 26 -0.762 -7.471 4.875 1.00 0.00 C ATOM 363 C SER A 26 -1.429 -8.025 6.152 1.00 0.00 C ATOM 364 O SER A 26 -1.584 -9.241 6.293 1.00 0.00 O ATOM 365 CB SER A 26 0.477 -8.299 4.508 1.00 0.00 C ATOM 366 OG SER A 26 0.104 -9.633 4.220 1.00 0.00 O ATOM 0 H SER A 26 0.584 -5.863 5.085 1.00 0.00 H new ATOM 0 HA SER A 26 -1.505 -7.557 4.082 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.975 -7.858 3.645 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.191 -8.283 5.331 1.00 0.00 H new ATOM 0 HG SER A 26 -0.617 -9.909 4.824 1.00 0.00 H new ATOM 372 N ALA A 27 -1.828 -7.145 7.074 1.00 0.00 N ATOM 373 CA ALA A 27 -2.559 -7.465 8.296 1.00 0.00 C ATOM 374 C ALA A 27 -4.031 -7.015 8.223 1.00 0.00 C ATOM 375 O ALA A 27 -4.801 -7.253 9.156 1.00 0.00 O ATOM 376 CB ALA A 27 -1.818 -6.775 9.451 1.00 0.00 C ATOM 0 H ALA A 27 -1.640 -6.147 6.982 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.591 -8.544 8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.330 -6.986 10.390 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.796 -7.150 9.503 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.802 -5.698 9.281 1.00 0.00 H new ATOM 382 N LEU A 28 -4.439 -6.320 7.150 1.00 0.00 N ATOM 383 CA LEU A 28 -5.745 -5.679 7.105 1.00 0.00 C ATOM 384 C LEU A 28 -6.838 -6.727 6.874 1.00 0.00 C ATOM 385 O LEU A 28 -6.778 -7.498 5.918 1.00 0.00 O ATOM 386 CB LEU A 28 -5.752 -4.578 6.031 1.00 0.00 C ATOM 387 CG LEU A 28 -4.736 -3.441 6.275 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.495 -2.616 5.005 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.221 -2.504 7.381 1.00 0.00 C ATOM 0 H LEU A 28 -3.878 -6.193 6.308 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.955 -5.201 8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.545 -5.032 5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.752 -4.149 5.975 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.801 -3.915 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.775 -1.826 5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.104 -3.263 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.435 -2.172 4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.488 -1.712 7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.176 -2.064 7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.345 -3.067 8.306 1.00 0.00 H new ATOM 401 N GLN A 29 -7.882 -6.708 7.703 1.00 0.00 N ATOM 402 CA GLN A 29 -8.978 -7.688 7.691 1.00 0.00 C ATOM 403 C GLN A 29 -9.648 -7.868 6.315 1.00 0.00 C ATOM 404 O GLN A 29 -10.228 -8.916 6.066 1.00 0.00 O ATOM 405 CB GLN A 29 -9.993 -7.260 8.769 1.00 0.00 C ATOM 406 CG GLN A 29 -11.145 -8.259 8.980 1.00 0.00 C ATOM 407 CD GLN A 29 -12.103 -7.849 10.101 1.00 0.00 C ATOM 408 OE1 GLN A 29 -11.777 -7.101 11.007 1.00 0.00 O ATOM 409 NE2 GLN A 29 -13.334 -8.315 10.081 1.00 0.00 N ATOM 0 H GLN A 29 -7.995 -5.993 8.422 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.564 -8.672 7.911 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.467 -7.123 9.714 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.412 -6.292 8.494 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.706 -8.358 8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.729 -9.240 9.208 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.630 -8.942 9.333 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.992 -8.049 10.813 1.00 0.00 H new ATOM 418 N TYR A 30 -9.549 -6.882 5.417 1.00 0.00 N ATOM 419 CA TYR A 30 -10.025 -6.969 4.031 1.00 0.00 C ATOM 420 C TYR A 30 -8.974 -7.335 2.962 1.00 0.00 C ATOM 421 O TYR A 30 -9.372 -7.501 1.812 1.00 0.00 O ATOM 422 CB TYR A 30 -10.687 -5.635 3.648 1.00 0.00 C ATOM 423 CG TYR A 30 -9.950 -4.363 4.062 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.594 -4.152 3.735 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.636 -3.378 4.809 1.00 0.00 C ATOM 426 CE1 TYR A 30 -7.963 -2.960 4.108 1.00 0.00 C ATOM 427 CE2 TYR A 30 -9.987 -2.196 5.221 1.00 0.00 C ATOM 428 CZ TYR A 30 -8.637 -1.983 4.865 1.00 0.00 C ATOM 429 OH TYR A 30 -7.965 -0.869 5.267 1.00 0.00 O ATOM 0 H TYR A 30 -9.126 -5.980 5.638 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.723 -7.806 4.028 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.816 -5.617 2.566 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.684 -5.610 4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.043 -4.910 3.197 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.673 -3.533 5.068 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.940 -2.786 3.810 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.518 -1.459 5.805 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.568 -0.290 5.779 1.00 0.00 H new ATOM 439 N VAL A 31 -7.666 -7.390 3.246 1.00 0.00 N ATOM 440 CA VAL A 31 -6.656 -7.636 2.196 1.00 0.00 C ATOM 441 C VAL A 31 -6.352 -9.134 2.116 1.00 0.00 C ATOM 442 O VAL A 31 -6.281 -9.802 3.142 1.00 0.00 O ATOM 443 CB VAL A 31 -5.390 -6.759 2.328 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.466 -7.229 3.405 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.534 -6.742 1.052 1.00 0.00 C ATOM 0 H VAL A 31 -7.280 -7.269 4.183 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.084 -7.323 1.244 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.794 -5.771 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.596 -6.574 3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.985 -7.209 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.143 -8.247 3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.660 -6.109 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.210 -7.756 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.123 -6.349 0.224 1.00 0.00 H new ATOM 455 N SER A 32 -6.192 -9.675 0.909 1.00 0.00 N ATOM 456 CA SER A 32 -5.955 -11.112 0.709 1.00 0.00 C ATOM 457 C SER A 32 -4.527 -11.434 0.246 1.00 0.00 C ATOM 458 O SER A 32 -4.133 -12.598 0.272 1.00 0.00 O ATOM 459 CB SER A 32 -6.974 -11.673 -0.290 1.00 0.00 C ATOM 460 OG SER A 32 -6.980 -13.086 -0.211 1.00 0.00 O ATOM 0 H SER A 32 -6.222 -9.136 0.043 1.00 0.00 H new ATOM 0 HA SER A 32 -6.079 -11.590 1.681 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.967 -11.281 -0.072 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.721 -11.355 -1.302 1.00 0.00 H new ATOM 0 HG SER A 32 -6.067 -13.409 -0.063 1.00 0.00 H new ATOM 466 N SER A 33 -3.746 -10.436 -0.178 1.00 0.00 N ATOM 467 CA SER A 33 -2.381 -10.533 -0.716 1.00 0.00 C ATOM 468 C SER A 33 -1.808 -9.139 -1.047 1.00 0.00 C ATOM 469 O SER A 33 -2.502 -8.123 -1.018 1.00 0.00 O ATOM 470 CB SER A 33 -2.349 -11.440 -1.955 1.00 0.00 C ATOM 471 OG SER A 33 -2.308 -12.811 -1.603 1.00 0.00 O ATOM 0 H SER A 33 -4.072 -9.470 -0.154 1.00 0.00 H new ATOM 0 HA SER A 33 -1.751 -10.978 0.054 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.230 -11.249 -2.568 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.478 -11.195 -2.563 1.00 0.00 H new ATOM 0 HG SER A 33 -3.039 -13.011 -0.982 1.00 0.00 H new ATOM 477 N ILE A 34 -0.532 -9.083 -1.408 1.00 0.00 N ATOM 478 CA ILE A 34 0.299 -7.877 -1.598 1.00 0.00 C ATOM 479 C ILE A 34 1.709 -8.282 -2.052 1.00 0.00 C ATOM 480 O ILE A 34 2.132 -9.394 -1.744 1.00 0.00 O ATOM 481 CB ILE A 34 0.342 -6.993 -0.313 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.199 -5.716 -0.490 1.00 0.00 C ATOM 483 CG2 ILE A 34 0.820 -7.771 0.928 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.030 -4.691 0.635 1.00 0.00 C ATOM 0 H ILE A 34 -0.003 -9.935 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.156 -7.267 -2.378 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.692 -6.688 -0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.249 -6.001 -0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.940 -5.245 -1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.830 -7.107 1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.143 -8.604 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.825 -8.154 0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.663 -3.826 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.012 -4.374 0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.318 -5.142 1.585 1.00 0.00 H new ATOM 496 N VAL A 35 2.382 -7.394 -2.783 1.00 0.00 N ATOM 497 CA VAL A 35 3.815 -7.398 -3.130 1.00 0.00 C ATOM 498 C VAL A 35 4.275 -5.950 -3.219 1.00 0.00 C ATOM 499 O VAL A 35 3.642 -5.150 -3.911 1.00 0.00 O ATOM 500 CB VAL A 35 4.116 -8.051 -4.498 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.513 -7.733 -5.077 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.035 -9.571 -4.351 1.00 0.00 C ATOM 0 H VAL A 35 1.907 -6.585 -3.183 1.00 0.00 H new ATOM 0 HA VAL A 35 4.330 -7.975 -2.362 1.00 0.00 H new ATOM 0 HB VAL A 35 3.375 -7.638 -5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.632 -8.235 -6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.613 -6.656 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.281 -8.083 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.246 -10.041 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.766 -9.905 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.035 -9.852 -4.021 1.00 0.00 H new ATOM 512 N VAL A 36 5.397 -5.628 -2.590 1.00 0.00 N ATOM 513 CA VAL A 36 6.039 -4.309 -2.731 1.00 0.00 C ATOM 514 C VAL A 36 7.237 -4.350 -3.683 1.00 0.00 C ATOM 515 O VAL A 36 7.934 -5.353 -3.824 1.00 0.00 O ATOM 516 CB VAL A 36 6.367 -3.671 -1.365 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.602 -4.293 -0.718 1.00 0.00 C ATOM 518 CG2 VAL A 36 6.547 -2.146 -1.454 1.00 0.00 C ATOM 0 H VAL A 36 5.894 -6.265 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 36 5.310 -3.647 -3.199 1.00 0.00 H new ATOM 0 HB VAL A 36 5.502 -3.878 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.792 -3.811 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.433 -5.358 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.464 -4.154 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.776 -1.748 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.365 -1.915 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.627 -1.692 -1.823 1.00 0.00 H new ATOM 528 N SER A 37 7.474 -3.225 -4.357 1.00 0.00 N ATOM 529 CA SER A 37 8.686 -3.001 -5.139 1.00 0.00 C ATOM 530 C SER A 37 9.856 -2.831 -4.168 1.00 0.00 C ATOM 531 O SER A 37 9.916 -1.818 -3.477 1.00 0.00 O ATOM 532 CB SER A 37 8.557 -1.724 -5.995 1.00 0.00 C ATOM 533 OG SER A 37 7.318 -1.638 -6.674 1.00 0.00 O ATOM 0 H SER A 37 6.825 -2.439 -4.375 1.00 0.00 H new ATOM 0 HA SER A 37 8.847 -3.849 -5.804 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.676 -0.850 -5.355 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.367 -1.698 -6.724 1.00 0.00 H new ATOM 0 HG SER A 37 6.618 -1.366 -6.044 1.00 0.00 H new ATOM 539 N LEU A 38 10.817 -3.765 -4.104 1.00 0.00 N ATOM 540 CA LEU A 38 11.964 -3.592 -3.205 1.00 0.00 C ATOM 541 C LEU A 38 12.758 -2.346 -3.591 1.00 0.00 C ATOM 542 O LEU A 38 13.143 -1.557 -2.731 1.00 0.00 O ATOM 543 CB LEU A 38 12.836 -4.863 -3.227 1.00 0.00 C ATOM 544 CG LEU A 38 13.745 -5.115 -2.006 1.00 0.00 C ATOM 545 CD1 LEU A 38 15.045 -4.327 -2.116 1.00 0.00 C ATOM 546 CD2 LEU A 38 13.078 -4.827 -0.653 1.00 0.00 C ATOM 0 H LEU A 38 10.824 -4.627 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 38 11.611 -3.445 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.176 -5.723 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.466 -4.825 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 38 13.955 -6.184 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.665 -4.524 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.579 -4.631 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.821 -3.262 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.785 -5.030 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.773 -3.781 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.202 -5.465 -0.536 1.00 0.00 H new ATOM 558 N GLU A 39 13.012 -2.179 -4.892 1.00 0.00 N ATOM 559 CA GLU A 39 13.751 -1.054 -5.430 1.00 0.00 C ATOM 560 C GLU A 39 13.003 0.276 -5.246 1.00 0.00 C ATOM 561 O GLU A 39 13.547 1.211 -4.654 1.00 0.00 O ATOM 562 CB GLU A 39 14.026 -1.282 -6.925 1.00 0.00 C ATOM 563 CG GLU A 39 15.135 -0.353 -7.426 1.00 0.00 C ATOM 564 CD GLU A 39 14.868 0.062 -8.866 1.00 0.00 C ATOM 565 OE1 GLU A 39 14.742 -0.854 -9.701 1.00 0.00 O ATOM 566 OE2 GLU A 39 14.684 1.279 -9.076 1.00 0.00 O ATOM 0 H GLU A 39 12.701 -2.838 -5.606 1.00 0.00 H new ATOM 0 HA GLU A 39 14.688 -0.986 -4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.313 -2.320 -7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.115 -1.108 -7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.193 0.531 -6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.099 -0.857 -7.359 1.00 0.00 H new ATOM 573 N ASN A 40 11.772 0.325 -5.764 1.00 0.00 N ATOM 574 CA ASN A 40 10.973 1.534 -5.966 1.00 0.00 C ATOM 575 C ASN A 40 10.002 1.923 -4.835 1.00 0.00 C ATOM 576 O ASN A 40 9.868 1.272 -3.805 1.00 0.00 O ATOM 577 CB ASN A 40 10.252 1.404 -7.328 1.00 0.00 C ATOM 578 CG ASN A 40 11.145 2.018 -8.385 1.00 0.00 C ATOM 579 OD1 ASN A 40 11.188 3.237 -8.503 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.923 1.201 -9.061 1.00 0.00 N ATOM 0 H ASN A 40 11.284 -0.518 -6.068 1.00 0.00 H new ATOM 0 HA ASN A 40 11.672 2.370 -5.955 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.054 0.357 -7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.288 1.912 -7.300 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.604 1.575 -9.722 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.846 0.193 -8.924 1.00 0.00 H new ATOM 587 N ARG A 41 9.292 3.034 -5.062 1.00 0.00 N ATOM 588 CA ARG A 41 8.429 3.694 -4.082 1.00 0.00 C ATOM 589 C ARG A 41 7.003 3.124 -3.994 1.00 0.00 C ATOM 590 O ARG A 41 6.129 3.797 -3.467 1.00 0.00 O ATOM 591 CB ARG A 41 8.394 5.221 -4.360 1.00 0.00 C ATOM 592 CG ARG A 41 9.722 5.939 -4.607 1.00 0.00 C ATOM 593 CD ARG A 41 9.879 6.338 -6.068 1.00 0.00 C ATOM 594 NE ARG A 41 9.173 7.588 -6.428 1.00 0.00 N ATOM 595 CZ ARG A 41 9.399 8.362 -7.490 1.00 0.00 C ATOM 596 NH1 ARG A 41 10.295 8.053 -8.407 1.00 0.00 N ATOM 597 NH2 ARG A 41 8.707 9.469 -7.631 1.00 0.00 N ATOM 0 H ARG A 41 9.304 3.512 -5.963 1.00 0.00 H new ATOM 0 HA ARG A 41 8.872 3.494 -3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.758 5.387 -5.230 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.907 5.703 -3.512 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.778 6.828 -3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.547 5.289 -4.316 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.940 6.454 -6.291 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.508 5.529 -6.697 1.00 0.00 H new ATOM 0 HE ARG A 41 8.433 7.890 -5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.843 7.197 -8.317 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.440 8.670 -9.206 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.008 9.726 -6.934 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.868 10.072 -8.438 1.00 0.00 H new ATOM 611 N SER A 42 6.703 1.931 -4.507 1.00 0.00 N ATOM 612 CA SER A 42 5.314 1.474 -4.704 1.00 0.00 C ATOM 613 C SER A 42 5.011 0.006 -4.364 1.00 0.00 C ATOM 614 O SER A 42 5.875 -0.868 -4.449 1.00 0.00 O ATOM 615 CB SER A 42 4.906 1.713 -6.168 1.00 0.00 C ATOM 616 OG SER A 42 5.944 1.365 -7.072 1.00 0.00 O ATOM 0 H SER A 42 7.406 1.252 -4.798 1.00 0.00 H new ATOM 0 HA SER A 42 4.739 2.062 -3.988 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.015 1.128 -6.396 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.643 2.762 -6.305 1.00 0.00 H new ATOM 0 HG SER A 42 6.273 0.466 -6.862 1.00 0.00 H new ATOM 622 N ALA A 43 3.733 -0.254 -4.057 1.00 0.00 N ATOM 623 CA ALA A 43 3.170 -1.506 -3.550 1.00 0.00 C ATOM 624 C ALA A 43 1.924 -1.904 -4.351 1.00 0.00 C ATOM 625 O ALA A 43 1.022 -1.097 -4.566 1.00 0.00 O ATOM 626 CB ALA A 43 2.807 -1.286 -2.069 1.00 0.00 C ATOM 0 H ALA A 43 3.014 0.461 -4.166 1.00 0.00 H new ATOM 0 HA ALA A 43 3.895 -2.314 -3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.383 -2.202 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.704 -1.019 -1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.077 -0.481 -1.989 1.00 0.00 H new ATOM 632 N ILE A 44 1.877 -3.162 -4.776 1.00 0.00 N ATOM 633 CA ILE A 44 0.770 -3.798 -5.494 1.00 0.00 C ATOM 634 C ILE A 44 0.032 -4.620 -4.439 1.00 0.00 C ATOM 635 O ILE A 44 0.578 -5.589 -3.911 1.00 0.00 O ATOM 636 CB ILE A 44 1.316 -4.667 -6.647 1.00 0.00 C ATOM 637 CG1 ILE A 44 2.197 -3.823 -7.604 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.136 -5.312 -7.400 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.949 -4.661 -8.639 1.00 0.00 C ATOM 0 H ILE A 44 2.654 -3.805 -4.621 1.00 0.00 H new ATOM 0 HA ILE A 44 0.096 -3.080 -5.961 1.00 0.00 H new ATOM 0 HB ILE A 44 1.947 -5.455 -6.236 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.567 -3.100 -8.122 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.917 -3.255 -7.016 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.517 -5.927 -8.215 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.437 -5.935 -6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.508 -4.531 -7.805 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.545 -4.006 -9.274 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.605 -5.366 -8.129 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.234 -5.209 -9.252 1.00 0.00 H new ATOM 651 N VAL A 45 -1.173 -4.187 -4.082 1.00 0.00 N ATOM 652 CA VAL A 45 -1.958 -4.684 -2.943 1.00 0.00 C ATOM 653 C VAL A 45 -3.220 -5.351 -3.493 1.00 0.00 C ATOM 654 O VAL A 45 -3.872 -4.784 -4.369 1.00 0.00 O ATOM 655 CB VAL A 45 -2.358 -3.526 -2.012 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.951 -4.076 -0.707 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.186 -2.590 -1.665 1.00 0.00 C ATOM 0 H VAL A 45 -1.655 -3.449 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.361 -5.393 -2.369 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.097 -2.941 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.230 -3.247 -0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.834 -4.674 -0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.210 -4.698 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.537 -1.796 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.403 -3.158 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.787 -2.152 -2.580 1.00 0.00 H new ATOM 667 N VAL A 46 -3.559 -6.541 -2.996 1.00 0.00 N ATOM 668 CA VAL A 46 -4.602 -7.428 -3.536 1.00 0.00 C ATOM 669 C VAL A 46 -5.621 -7.700 -2.422 1.00 0.00 C ATOM 670 O VAL A 46 -5.315 -8.392 -1.456 1.00 0.00 O ATOM 671 CB VAL A 46 -3.953 -8.746 -4.026 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.948 -9.752 -4.616 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.796 -8.509 -5.017 1.00 0.00 C ATOM 0 H VAL A 46 -3.099 -6.933 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.107 -6.964 -4.383 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.547 -9.191 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.414 -10.647 -4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.686 -10.020 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.452 -9.305 -5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.380 -9.468 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.169 -7.977 -5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.020 -7.915 -4.535 1.00 0.00 H new ATOM 683 N TYR A 47 -6.823 -7.133 -2.515 1.00 0.00 N ATOM 684 CA TYR A 47 -7.810 -7.112 -1.420 1.00 0.00 C ATOM 685 C TYR A 47 -9.194 -7.643 -1.831 1.00 0.00 C ATOM 686 O TYR A 47 -9.587 -7.588 -2.997 1.00 0.00 O ATOM 687 CB TYR A 47 -7.914 -5.688 -0.851 1.00 0.00 C ATOM 688 CG TYR A 47 -8.658 -4.722 -1.757 1.00 0.00 C ATOM 689 CD1 TYR A 47 -8.028 -4.179 -2.894 1.00 0.00 C ATOM 690 CD2 TYR A 47 -10.011 -4.424 -1.500 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.742 -3.350 -3.779 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.734 -3.605 -2.384 1.00 0.00 C ATOM 693 CZ TYR A 47 -10.110 -3.088 -3.538 1.00 0.00 C ATOM 694 OH TYR A 47 -10.857 -2.428 -4.462 1.00 0.00 O ATOM 0 H TYR A 47 -7.149 -6.667 -3.362 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.451 -7.795 -0.650 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.418 -5.728 0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.910 -5.304 -0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.989 -4.401 -3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.494 -4.826 -0.621 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.248 -2.917 -4.636 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.768 -3.371 -2.179 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.800 -2.671 -4.354 1.00 0.00 H new ATOM 704 N ASN A 48 -9.957 -8.146 -0.864 1.00 0.00 N ATOM 705 CA ASN A 48 -11.231 -8.803 -1.109 1.00 0.00 C ATOM 706 C ASN A 48 -12.367 -7.775 -1.102 1.00 0.00 C ATOM 707 O ASN A 48 -12.547 -7.062 -0.114 1.00 0.00 O ATOM 708 CB ASN A 48 -11.438 -9.881 -0.039 1.00 0.00 C ATOM 709 CG ASN A 48 -12.627 -10.761 -0.384 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.746 -10.536 0.053 1.00 0.00 O ATOM 711 ND2 ASN A 48 -12.420 -11.760 -1.216 1.00 0.00 N ATOM 0 H ASN A 48 -9.702 -8.107 0.123 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.231 -9.276 -2.091 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.540 -10.492 0.046 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.597 -9.411 0.931 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.198 -12.355 -1.502 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.482 -11.939 -1.575 1.00 0.00 H new ATOM 718 N ALA A 49 -13.137 -7.702 -2.195 1.00 0.00 N ATOM 719 CA ALA A 49 -14.280 -6.801 -2.366 1.00 0.00 C ATOM 720 C ALA A 49 -14.954 -7.027 -3.722 1.00 0.00 C ATOM 721 O ALA A 49 -14.283 -7.276 -4.716 1.00 0.00 O ATOM 722 CB ALA A 49 -13.848 -5.325 -2.275 1.00 0.00 C ATOM 0 H ALA A 49 -12.974 -8.290 -3.012 1.00 0.00 H new ATOM 0 HA ALA A 49 -14.982 -7.022 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.719 -4.682 -2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.401 -5.136 -1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.118 -5.111 -3.056 1.00 0.00 H new ATOM 728 N SER A 50 -16.256 -6.792 -3.786 1.00 0.00 N ATOM 729 CA SER A 50 -17.036 -6.754 -5.024 1.00 0.00 C ATOM 730 C SER A 50 -17.071 -5.333 -5.611 1.00 0.00 C ATOM 731 O SER A 50 -18.004 -4.973 -6.324 1.00 0.00 O ATOM 732 CB SER A 50 -18.457 -7.275 -4.747 1.00 0.00 C ATOM 733 OG SER A 50 -18.405 -8.480 -4.002 1.00 0.00 O ATOM 0 H SER A 50 -16.821 -6.617 -2.955 1.00 0.00 H new ATOM 0 HA SER A 50 -16.561 -7.397 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 50 -19.026 -6.525 -4.198 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.979 -7.444 -5.689 1.00 0.00 H new ATOM 0 HG SER A 50 -19.316 -8.799 -3.832 1.00 0.00 H new ATOM 739 N SER A 51 -16.110 -4.469 -5.263 1.00 0.00 N ATOM 740 CA SER A 51 -16.091 -3.064 -5.674 1.00 0.00 C ATOM 741 C SER A 51 -14.715 -2.382 -5.559 1.00 0.00 C ATOM 742 O SER A 51 -13.891 -2.712 -4.701 1.00 0.00 O ATOM 743 CB SER A 51 -17.145 -2.262 -4.898 1.00 0.00 C ATOM 744 OG SER A 51 -18.423 -2.487 -5.461 1.00 0.00 O ATOM 0 H SER A 51 -15.315 -4.731 -4.681 1.00 0.00 H new ATOM 0 HA SER A 51 -16.330 -3.071 -6.737 1.00 0.00 H new ATOM 0 HB2 SER A 51 -17.142 -2.558 -3.849 1.00 0.00 H new ATOM 0 HB3 SER A 51 -16.904 -1.199 -4.930 1.00 0.00 H new ATOM 0 HG SER A 51 -18.382 -3.254 -6.070 1.00 0.00 H new ATOM 750 N VAL A 52 -14.487 -1.384 -6.419 1.00 0.00 N ATOM 751 CA VAL A 52 -13.230 -0.626 -6.523 1.00 0.00 C ATOM 752 C VAL A 52 -13.128 0.455 -5.437 1.00 0.00 C ATOM 753 O VAL A 52 -13.238 1.651 -5.705 1.00 0.00 O ATOM 754 CB VAL A 52 -12.994 -0.065 -7.951 1.00 0.00 C ATOM 755 CG1 VAL A 52 -12.580 -1.205 -8.893 1.00 0.00 C ATOM 756 CG2 VAL A 52 -14.225 0.647 -8.550 1.00 0.00 C ATOM 0 H VAL A 52 -15.193 -1.069 -7.084 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.417 -1.329 -6.341 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.205 0.681 -7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.415 -0.808 -9.895 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.660 -1.663 -8.528 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.370 -1.955 -8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.984 1.012 -9.548 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -15.057 -0.054 -8.611 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.505 1.487 -7.914 1.00 0.00 H new ATOM 766 N THR A 53 -12.863 0.009 -4.201 1.00 0.00 N ATOM 767 CA THR A 53 -12.539 0.849 -3.034 1.00 0.00 C ATOM 768 C THR A 53 -11.047 0.716 -2.669 1.00 0.00 C ATOM 769 O THR A 53 -10.727 0.073 -1.673 1.00 0.00 O ATOM 770 CB THR A 53 -13.454 0.498 -1.851 1.00 0.00 C ATOM 771 OG1 THR A 53 -14.790 0.507 -2.293 1.00 0.00 O ATOM 772 CG2 THR A 53 -13.364 1.522 -0.717 1.00 0.00 C ATOM 0 H THR A 53 -12.868 -0.986 -3.976 1.00 0.00 H new ATOM 0 HA THR A 53 -12.719 1.894 -3.288 1.00 0.00 H new ATOM 0 HB THR A 53 -13.136 -0.477 -1.481 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.383 0.282 -1.546 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.030 1.227 0.094 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.340 1.566 -0.347 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.658 2.503 -1.089 1.00 0.00 H new ATOM 780 N PRO A 54 -10.113 1.306 -3.449 1.00 0.00 N ATOM 781 CA PRO A 54 -8.673 1.243 -3.181 1.00 0.00 C ATOM 782 C PRO A 54 -8.219 2.207 -2.073 1.00 0.00 C ATOM 783 O PRO A 54 -7.189 1.964 -1.450 1.00 0.00 O ATOM 784 CB PRO A 54 -8.026 1.604 -4.523 1.00 0.00 C ATOM 785 CG PRO A 54 -9.011 2.601 -5.128 1.00 0.00 C ATOM 786 CD PRO A 54 -10.350 2.014 -4.700 1.00 0.00 C ATOM 0 HA PRO A 54 -8.385 0.258 -2.814 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.038 2.045 -4.388 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.900 0.727 -5.158 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.863 3.609 -4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.918 2.661 -6.212 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.093 2.800 -4.565 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.737 1.337 -5.461 1.00 0.00 H new ATOM 794 N GLU A 55 -8.978 3.282 -1.809 1.00 0.00 N ATOM 795 CA GLU A 55 -8.613 4.377 -0.898 1.00 0.00 C ATOM 796 C GLU A 55 -8.413 3.910 0.561 1.00 0.00 C ATOM 797 O GLU A 55 -7.703 4.570 1.313 1.00 0.00 O ATOM 798 CB GLU A 55 -9.700 5.464 -1.033 1.00 0.00 C ATOM 799 CG GLU A 55 -9.519 6.760 -0.224 1.00 0.00 C ATOM 800 CD GLU A 55 -8.318 7.630 -0.608 1.00 0.00 C ATOM 801 OE1 GLU A 55 -7.831 7.597 -1.758 1.00 0.00 O ATOM 802 OE2 GLU A 55 -7.855 8.399 0.260 1.00 0.00 O ATOM 0 H GLU A 55 -9.893 3.417 -2.238 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.641 4.782 -1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.776 5.734 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.654 5.021 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.424 7.359 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.430 6.497 0.830 1.00 0.00 H new ATOM 809 N SER A 56 -8.957 2.759 0.975 1.00 0.00 N ATOM 810 CA SER A 56 -8.685 2.185 2.301 1.00 0.00 C ATOM 811 C SER A 56 -7.244 1.677 2.442 1.00 0.00 C ATOM 812 O SER A 56 -6.577 1.964 3.438 1.00 0.00 O ATOM 813 CB SER A 56 -9.663 1.036 2.577 1.00 0.00 C ATOM 814 OG SER A 56 -9.557 0.023 1.593 1.00 0.00 O ATOM 0 H SER A 56 -9.594 2.202 0.406 1.00 0.00 H new ATOM 0 HA SER A 56 -8.820 2.984 3.030 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.462 0.613 3.561 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.683 1.421 2.598 1.00 0.00 H new ATOM 0 HG SER A 56 -10.190 -0.697 1.795 1.00 0.00 H new ATOM 820 N LEU A 57 -6.743 0.969 1.424 1.00 0.00 N ATOM 821 CA LEU A 57 -5.366 0.482 1.392 1.00 0.00 C ATOM 822 C LEU A 57 -4.399 1.662 1.370 1.00 0.00 C ATOM 823 O LEU A 57 -3.486 1.708 2.189 1.00 0.00 O ATOM 824 CB LEU A 57 -5.136 -0.402 0.161 1.00 0.00 C ATOM 825 CG LEU A 57 -6.128 -1.557 -0.085 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.718 -2.283 -1.371 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.192 -2.532 1.094 1.00 0.00 C ATOM 0 H LEU A 57 -7.286 0.718 0.598 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.187 -0.114 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.143 0.240 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.136 -0.829 0.236 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.130 -1.140 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.409 -3.104 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.745 -1.585 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.708 -2.677 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.904 -3.326 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.206 -2.965 1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.511 -1.999 1.990 1.00 0.00 H new ATOM 839 N ARG A 58 -4.645 2.662 0.512 1.00 0.00 N ATOM 840 CA ARG A 58 -3.926 3.931 0.508 1.00 0.00 C ATOM 841 C ARG A 58 -3.859 4.523 1.920 1.00 0.00 C ATOM 842 O ARG A 58 -2.772 4.804 2.412 1.00 0.00 O ATOM 843 CB ARG A 58 -4.646 4.886 -0.444 1.00 0.00 C ATOM 844 CG ARG A 58 -3.953 6.247 -0.535 1.00 0.00 C ATOM 845 CD ARG A 58 -4.997 7.348 -0.619 1.00 0.00 C ATOM 846 NE ARG A 58 -4.419 8.673 -0.385 1.00 0.00 N ATOM 847 CZ ARG A 58 -4.881 9.809 -0.860 1.00 0.00 C ATOM 848 NH1 ARG A 58 -5.976 9.867 -1.596 1.00 0.00 N ATOM 849 NH2 ARG A 58 -4.207 10.887 -0.537 1.00 0.00 N ATOM 0 H ARG A 58 -5.364 2.604 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.901 3.774 0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.694 4.438 -1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.673 5.026 -0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.317 6.401 0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.306 6.279 -1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.468 7.327 -1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.781 7.160 0.114 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.584 8.719 0.198 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.491 9.014 -1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.307 10.765 -1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.377 10.812 0.051 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.513 11.800 -0.874 1.00 0.00 H new ATOM 863 N LYS A 59 -4.998 4.665 2.603 1.00 0.00 N ATOM 864 CA LYS A 59 -5.064 5.107 4.000 1.00 0.00 C ATOM 865 C LYS A 59 -4.220 4.272 4.973 1.00 0.00 C ATOM 866 O LYS A 59 -3.596 4.849 5.858 1.00 0.00 O ATOM 867 CB LYS A 59 -6.539 5.144 4.439 1.00 0.00 C ATOM 868 CG LYS A 59 -7.069 6.576 4.531 1.00 0.00 C ATOM 869 CD LYS A 59 -6.952 7.354 3.217 1.00 0.00 C ATOM 870 CE LYS A 59 -7.262 8.836 3.438 1.00 0.00 C ATOM 871 NZ LYS A 59 -6.682 9.636 2.340 1.00 0.00 N ATOM 0 H LYS A 59 -5.914 4.474 2.196 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.623 6.103 4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.143 4.578 3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.642 4.655 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.115 6.549 4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.523 7.108 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.946 7.244 2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.640 6.939 2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.340 8.989 3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.854 9.164 4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.966 10.631 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.645 9.567 2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.026 9.275 1.428 1.00 0.00 H new ATOM 885 N ALA A 60 -4.148 2.951 4.805 1.00 0.00 N ATOM 886 CA ALA A 60 -3.280 2.105 5.617 1.00 0.00 C ATOM 887 C ALA A 60 -1.796 2.407 5.343 1.00 0.00 C ATOM 888 O ALA A 60 -0.992 2.440 6.273 1.00 0.00 O ATOM 889 CB ALA A 60 -3.651 0.644 5.352 1.00 0.00 C ATOM 0 H ALA A 60 -4.688 2.442 4.105 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.428 2.313 6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.013 -0.007 5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.694 0.479 5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.510 0.419 4.295 1.00 0.00 H new ATOM 895 N ILE A 61 -1.442 2.726 4.091 1.00 0.00 N ATOM 896 CA ILE A 61 -0.092 3.192 3.738 1.00 0.00 C ATOM 897 C ILE A 61 0.165 4.572 4.370 1.00 0.00 C ATOM 898 O ILE A 61 1.117 4.728 5.136 1.00 0.00 O ATOM 899 CB ILE A 61 0.148 3.184 2.203 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.135 1.827 1.530 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.593 3.593 1.894 1.00 0.00 C ATOM 902 CD1 ILE A 61 0.001 1.792 0.003 1.00 0.00 C ATOM 0 H ILE A 61 -2.079 2.669 3.297 1.00 0.00 H new ATOM 0 HA ILE A 61 0.635 2.492 4.149 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.563 3.900 1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.544 1.086 1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.147 1.518 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.751 3.584 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.778 4.596 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.279 2.890 2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.221 0.788 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.698 2.501 -0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.019 2.062 -0.278 1.00 0.00 H new ATOM 914 N GLU A 62 -0.719 5.552 4.162 1.00 0.00 N ATOM 915 CA GLU A 62 -0.632 6.870 4.791 1.00 0.00 C ATOM 916 C GLU A 62 -0.577 6.792 6.325 1.00 0.00 C ATOM 917 O GLU A 62 -0.047 7.708 6.936 1.00 0.00 O ATOM 918 CB GLU A 62 -1.805 7.777 4.369 1.00 0.00 C ATOM 919 CG GLU A 62 -1.807 8.147 2.882 1.00 0.00 C ATOM 920 CD GLU A 62 -2.931 9.090 2.436 1.00 0.00 C ATOM 921 OE1 GLU A 62 -4.095 8.929 2.865 1.00 0.00 O ATOM 922 OE2 GLU A 62 -2.673 9.917 1.533 1.00 0.00 O ATOM 0 H GLU A 62 -1.524 5.450 3.544 1.00 0.00 H new ATOM 0 HA GLU A 62 0.304 7.304 4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.742 7.275 4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.773 8.692 4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.851 8.610 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.874 7.229 2.298 1.00 0.00 H new ATOM 929 N ALA A 63 -1.042 5.711 6.963 1.00 0.00 N ATOM 930 CA ALA A 63 -1.028 5.549 8.418 1.00 0.00 C ATOM 931 C ALA A 63 0.257 4.920 8.984 1.00 0.00 C ATOM 932 O ALA A 63 0.389 4.811 10.201 1.00 0.00 O ATOM 933 CB ALA A 63 -2.280 4.762 8.825 1.00 0.00 C ATOM 0 H ALA A 63 -1.445 4.912 6.473 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.039 6.545 8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.291 4.629 9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.170 5.311 8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.270 3.786 8.340 1.00 0.00 H new ATOM 939 N VAL A 64 1.207 4.563 8.118 1.00 0.00 N ATOM 940 CA VAL A 64 2.502 3.965 8.495 1.00 0.00 C ATOM 941 C VAL A 64 3.587 5.030 8.599 1.00 0.00 C ATOM 942 O VAL A 64 4.558 4.888 9.337 1.00 0.00 O ATOM 943 CB VAL A 64 2.923 2.825 7.537 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.817 3.186 6.363 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.704 1.774 8.334 1.00 0.00 C ATOM 0 H VAL A 64 1.101 4.682 7.110 1.00 0.00 H new ATOM 0 HA VAL A 64 2.372 3.516 9.480 1.00 0.00 H new ATOM 0 HB VAL A 64 1.974 2.493 7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.030 2.291 5.779 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.312 3.918 5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.751 3.609 6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.007 0.965 7.670 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.590 2.234 8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.072 1.375 9.127 1.00 0.00 H new ATOM 955 N SER A 65 3.422 6.118 7.844 1.00 0.00 N ATOM 956 CA SER A 65 4.212 7.338 7.967 1.00 0.00 C ATOM 957 C SER A 65 3.413 8.581 7.497 1.00 0.00 C ATOM 958 O SER A 65 3.679 9.147 6.431 1.00 0.00 O ATOM 959 CB SER A 65 5.606 7.185 7.338 1.00 0.00 C ATOM 960 OG SER A 65 6.027 5.849 7.090 1.00 0.00 O ATOM 0 H SER A 65 2.715 6.173 7.111 1.00 0.00 H new ATOM 0 HA SER A 65 4.411 7.516 9.024 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.621 7.732 6.395 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.335 7.660 7.994 1.00 0.00 H new ATOM 0 HG SER A 65 5.979 5.664 6.129 1.00 0.00 H new ATOM 966 N PRO A 66 2.396 9.001 8.280 1.00 0.00 N ATOM 967 CA PRO A 66 1.531 10.144 7.980 1.00 0.00 C ATOM 968 C PRO A 66 2.282 11.472 7.854 1.00 0.00 C ATOM 969 O PRO A 66 3.285 11.709 8.524 1.00 0.00 O ATOM 970 CB PRO A 66 0.461 10.178 9.083 1.00 0.00 C ATOM 971 CG PRO A 66 1.017 9.281 10.189 1.00 0.00 C ATOM 972 CD PRO A 66 1.845 8.266 9.409 1.00 0.00 C ATOM 0 HA PRO A 66 1.080 10.016 6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.295 11.193 9.443 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.497 9.808 8.717 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.626 9.842 10.898 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.222 8.802 10.761 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.637 7.846 10.029 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.229 7.433 9.072 1.00 0.00 H new ATOM 980 N GLY A 67 1.787 12.336 6.956 1.00 0.00 N ATOM 981 CA GLY A 67 2.370 13.640 6.599 1.00 0.00 C ATOM 982 C GLY A 67 3.533 13.527 5.609 1.00 0.00 C ATOM 983 O GLY A 67 3.625 14.304 4.654 1.00 0.00 O ATOM 0 H GLY A 67 0.933 12.138 6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.594 14.273 6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.719 14.136 7.505 1.00 0.00 H new ATOM 987 N LEU A 68 4.384 12.515 5.801 1.00 0.00 N ATOM 988 CA LEU A 68 5.501 12.174 4.923 1.00 0.00 C ATOM 989 C LEU A 68 5.006 11.542 3.619 1.00 0.00 C ATOM 990 O LEU A 68 5.329 12.006 2.530 1.00 0.00 O ATOM 991 CB LEU A 68 6.412 11.218 5.702 1.00 0.00 C ATOM 992 CG LEU A 68 7.621 10.732 4.888 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.628 11.859 4.652 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.278 9.602 5.664 1.00 0.00 C ATOM 0 H LEU A 68 4.309 11.889 6.603 1.00 0.00 H new ATOM 0 HA LEU A 68 6.052 13.070 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.767 11.719 6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.830 10.355 6.025 1.00 0.00 H new ATOM 0 HG LEU A 68 7.286 10.390 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.470 11.479 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.146 12.668 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.986 12.233 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.142 9.235 5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.601 9.969 6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.563 8.791 5.801 1.00 0.00 H new ATOM 1006 N TYR A 69 4.226 10.472 3.745 1.00 0.00 N ATOM 1007 CA TYR A 69 3.829 9.592 2.650 1.00 0.00 C ATOM 1008 C TYR A 69 2.865 10.233 1.636 1.00 0.00 C ATOM 1009 O TYR A 69 1.672 10.388 1.904 1.00 0.00 O ATOM 1010 CB TYR A 69 3.203 8.331 3.266 1.00 0.00 C ATOM 1011 CG TYR A 69 4.150 7.213 3.665 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.528 7.406 3.901 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.638 5.908 3.672 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.363 6.302 4.151 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.476 4.799 3.790 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.840 4.988 4.073 1.00 0.00 C ATOM 1017 OH TYR A 69 6.609 3.894 4.303 1.00 0.00 O ATOM 0 H TYR A 69 3.839 10.184 4.644 1.00 0.00 H new ATOM 0 HA TYR A 69 4.723 9.359 2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.641 8.630 4.151 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.484 7.927 2.553 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.942 8.403 3.890 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.572 5.758 3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.402 6.456 4.402 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.080 3.802 3.665 1.00 0.00 H new ATOM 0 HH TYR A 69 7.442 4.166 4.742 1.00 0.00 H new ATOM 1027 N ARG A 70 3.324 10.500 0.405 1.00 0.00 N ATOM 1028 CA ARG A 70 2.497 11.063 -0.676 1.00 0.00 C ATOM 1029 C ARG A 70 1.694 9.996 -1.448 1.00 0.00 C ATOM 1030 O ARG A 70 1.825 9.839 -2.663 1.00 0.00 O ATOM 1031 CB ARG A 70 3.421 11.859 -1.597 1.00 0.00 C ATOM 1032 CG ARG A 70 2.728 13.123 -2.121 1.00 0.00 C ATOM 1033 CD ARG A 70 2.597 14.227 -1.052 1.00 0.00 C ATOM 1034 NE ARG A 70 3.898 14.516 -0.418 1.00 0.00 N ATOM 1035 CZ ARG A 70 4.167 14.646 0.878 1.00 0.00 C ATOM 1036 NH1 ARG A 70 3.227 14.747 1.799 1.00 0.00 N ATOM 1037 NH2 ARG A 70 5.421 14.663 1.270 1.00 0.00 N ATOM 0 H ARG A 70 4.291 10.330 0.127 1.00 0.00 H new ATOM 0 HA ARG A 70 1.738 11.714 -0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.327 12.135 -1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.728 11.235 -2.436 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.289 13.512 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.736 12.861 -2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.203 15.135 -1.510 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.880 13.917 -0.292 1.00 0.00 H new ATOM 0 HE ARG A 70 4.689 14.630 -1.052 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.244 14.727 1.529 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.484 14.845 2.781 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.171 14.577 0.584 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.644 14.762 2.260 1.00 0.00 H new ATOM 1051 N VAL A 71 0.881 9.240 -0.720 1.00 0.00 N ATOM 1052 CA VAL A 71 0.266 8.014 -1.257 1.00 0.00 C ATOM 1053 C VAL A 71 -0.736 8.288 -2.362 1.00 0.00 C ATOM 1054 O VAL A 71 -1.761 8.940 -2.173 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.338 7.047 -0.228 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.552 5.651 -0.844 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.610 6.883 0.960 1.00 0.00 C ATOM 0 H VAL A 71 0.627 9.448 0.246 1.00 0.00 H new ATOM 0 HA VAL A 71 1.129 7.494 -1.672 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.292 7.466 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.981 4.985 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.232 5.728 -1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.405 5.251 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.172 6.195 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.563 6.485 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.772 7.852 1.433 1.00 0.00 H new ATOM 1067 N SER A 72 -0.396 7.746 -3.525 1.00 0.00 N ATOM 1068 CA SER A 72 -1.097 7.966 -4.783 1.00 0.00 C ATOM 1069 C SER A 72 -1.301 6.646 -5.540 1.00 0.00 C ATOM 1070 O SER A 72 -0.465 5.753 -5.472 1.00 0.00 O ATOM 1071 CB SER A 72 -0.265 8.913 -5.642 1.00 0.00 C ATOM 1072 OG SER A 72 0.130 10.080 -4.938 1.00 0.00 O ATOM 0 H SER A 72 0.403 7.120 -3.621 1.00 0.00 H new ATOM 0 HA SER A 72 -2.077 8.394 -4.572 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.622 8.390 -5.999 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.841 9.201 -6.522 1.00 0.00 H new ATOM 0 HG SER A 72 0.769 9.838 -4.236 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.392 6.508 -6.289 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.720 5.304 -7.080 1.00 0.00 C ATOM 1080 C ILE A 73 -2.226 5.481 -8.515 1.00 0.00 C ATOM 1081 O ILE A 73 -2.634 6.408 -9.217 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.249 5.043 -7.043 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.746 4.819 -5.596 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.633 3.830 -7.916 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.269 4.860 -5.444 1.00 0.00 C ATOM 0 H ILE A 73 -3.095 7.242 -6.371 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.220 4.437 -6.648 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.733 5.932 -7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.382 3.854 -5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.307 5.580 -4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.711 3.674 -7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.339 4.017 -8.949 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.121 2.941 -7.548 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.535 4.694 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.640 5.834 -5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.717 4.081 -6.061 1.00 0.00 H new ATOM 1097 N THR A 74 -1.351 4.580 -8.958 1.00 0.00 N ATOM 1098 CA THR A 74 -0.745 4.564 -10.268 1.00 0.00 C ATOM 1099 C THR A 74 -1.632 3.811 -11.258 1.00 0.00 C ATOM 1100 O THR A 74 -1.465 2.606 -11.442 1.00 0.00 O ATOM 1101 CB THR A 74 0.610 3.891 -10.083 1.00 0.00 C ATOM 1102 OG1 THR A 74 0.450 2.630 -9.488 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.598 4.699 -9.248 1.00 0.00 C ATOM 0 H THR A 74 -1.036 3.805 -8.374 1.00 0.00 H new ATOM 0 HA THR A 74 -0.624 5.565 -10.681 1.00 0.00 H new ATOM 0 HB THR A 74 1.029 3.805 -11.086 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.263 2.139 -9.948 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.537 4.151 -9.164 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.781 5.660 -9.729 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.184 4.864 -8.253 1.00 0.00 H new ATOM 1111 N SER A 75 -2.572 4.506 -11.890 1.00 0.00 N ATOM 1112 CA SER A 75 -3.480 3.927 -12.889 1.00 0.00 C ATOM 1113 C SER A 75 -3.555 4.802 -14.144 1.00 0.00 C ATOM 1114 O SER A 75 -3.240 5.993 -14.109 1.00 0.00 O ATOM 1115 CB SER A 75 -4.921 3.830 -12.349 1.00 0.00 C ATOM 1116 OG SER A 75 -5.082 2.908 -11.283 1.00 0.00 O ATOM 0 H SER A 75 -2.731 5.500 -11.725 1.00 0.00 H new ATOM 0 HA SER A 75 -3.080 2.940 -13.120 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.238 4.817 -12.012 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.584 3.544 -13.165 1.00 0.00 H new ATOM 0 HG SER A 75 -6.018 2.903 -10.993 1.00 0.00 H new ATOM 1122 N GLU A 76 -4.024 4.211 -15.245 1.00 0.00 N ATOM 1123 CA GLU A 76 -4.474 4.969 -16.397 1.00 0.00 C ATOM 1124 C GLU A 76 -5.822 5.562 -15.969 1.00 0.00 C ATOM 1125 O GLU A 76 -6.668 4.860 -15.415 1.00 0.00 O ATOM 1126 CB GLU A 76 -4.612 4.046 -17.612 1.00 0.00 C ATOM 1127 CG GLU A 76 -4.855 4.822 -18.909 1.00 0.00 C ATOM 1128 CD GLU A 76 -5.048 3.838 -20.060 1.00 0.00 C ATOM 1129 OE1 GLU A 76 -4.031 3.228 -20.458 1.00 0.00 O ATOM 1130 OE2 GLU A 76 -6.211 3.673 -20.491 1.00 0.00 O ATOM 0 H GLU A 76 -4.099 3.200 -15.356 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.776 5.752 -16.694 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.707 3.447 -17.714 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.437 3.353 -17.447 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.736 5.456 -18.807 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.011 5.480 -19.116 1.00 0.00 H new ATOM 1137 N VAL A 77 -5.956 6.864 -16.162 1.00 0.00 N ATOM 1138 CA VAL A 77 -7.099 7.715 -15.800 1.00 0.00 C ATOM 1139 C VAL A 77 -7.231 8.823 -16.855 1.00 0.00 C ATOM 1140 O VAL A 77 -6.340 8.971 -17.698 1.00 0.00 O ATOM 1141 CB VAL A 77 -6.976 8.308 -14.366 1.00 0.00 C ATOM 1142 CG1 VAL A 77 -6.910 7.227 -13.272 1.00 0.00 C ATOM 1143 CG2 VAL A 77 -5.758 9.236 -14.201 1.00 0.00 C ATOM 0 H VAL A 77 -5.216 7.404 -16.610 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.000 7.102 -15.786 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.889 8.890 -14.241 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.825 7.703 -12.295 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.816 6.622 -13.303 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.042 6.590 -13.442 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.727 9.618 -13.180 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.845 8.678 -14.408 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.839 10.070 -14.898 1.00 0.00 H new TER 1153 VAL A 77