USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 459 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 47 ASN : amide:sc= 1.53 K(o=2.4,f=-4.1!) USER MOD Set 1.2: A 49 THR OG1 : rot -168:sc= 0.87 USER MOD Set 2.1: A 15 HIS : no HE2:sc= 1.06 K(o=2.2,f=-3.3!) USER MOD Set 2.2: A 37 SER OG : rot -150:sc= 1.15 USER MOD Single : A 1 LEU N :NH3+ -109:sc= -0.144 (180deg=-1.58!) USER MOD Single : A 2 THR OG1 : rot -143:sc= 1.74 USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00472) USER MOD Single : A 5 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.7) USER MOD Single : A 9 SER OG : rot 58:sc= 1.16 USER MOD Single : A 10 HIS : no HE2:sc= 0.156 K(o=0.16,f=-2.3!) USER MOD Single : A 18 SER OG : rot -84:sc= 1.27 USER MOD Single : A 22 LYS NZ :NH3+ 175:sc= 0.966 (180deg=0.93) USER MOD Single : A 26 ASN : amide:sc= 0.172 X(o=0.17,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.868 K(o=0.87,f=0) USER MOD Single : A 29 TYR OH : rot 175:sc= 1.26 USER MOD Single : A 33 GLN : amide:sc= 2.77 K(o=2.8,f=-6.2!) USER MOD Single : A 35 TYR OH : rot 30:sc= 1.26 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -94:sc= 1.91 USER MOD Single : A 56 SER OG : rot 180:sc= 0.136 USER MOD Single : A 59 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.21) USER MOD Single : A 60 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-4.4!) USER MOD Single : A 61 ASN : amide:sc= 0.818 K(o=0.82,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 38:sc= 0.992 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.613 9.795 1.351 1.00 0.00 N ATOM 2 CA LEU A 1 14.344 9.237 0.897 1.00 0.00 C ATOM 3 C LEU A 1 13.379 9.015 2.080 1.00 0.00 C ATOM 4 O LEU A 1 13.788 9.079 3.240 1.00 0.00 O ATOM 5 CB LEU A 1 14.616 7.980 0.038 1.00 0.00 C ATOM 6 CG LEU A 1 14.888 6.653 0.781 1.00 0.00 C ATOM 7 CD1 LEU A 1 15.197 5.541 -0.227 1.00 0.00 C ATOM 8 CD2 LEU A 1 16.066 6.715 1.760 1.00 0.00 C ATOM 0 H1 LEU A 1 15.686 10.786 1.045 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.661 9.749 2.389 1.00 0.00 H new ATOM 0 H3 LEU A 1 16.398 9.248 0.943 1.00 0.00 H new ATOM 0 HA LEU A 1 13.825 9.946 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 1 13.758 7.829 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 1 15.473 8.189 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 1 13.981 6.455 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 1 15.387 4.609 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 1 14.346 5.409 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 1 16.078 5.812 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 1 16.191 5.745 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 1 16.976 6.972 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 1 15.869 7.473 2.518 1.00 0.00 H new ATOM 20 N THR A 2 12.092 8.785 1.797 1.00 0.00 N ATOM 21 CA THR A 2 11.037 8.669 2.812 1.00 0.00 C ATOM 22 C THR A 2 10.941 7.256 3.397 1.00 0.00 C ATOM 23 O THR A 2 11.450 6.300 2.811 1.00 0.00 O ATOM 24 CB THR A 2 9.661 9.046 2.229 1.00 0.00 C ATOM 25 OG1 THR A 2 9.245 8.048 1.326 1.00 0.00 O ATOM 26 CG2 THR A 2 9.655 10.404 1.522 1.00 0.00 C ATOM 0 H THR A 2 11.748 8.673 0.843 1.00 0.00 H new ATOM 0 HA THR A 2 11.311 9.362 3.608 1.00 0.00 H new ATOM 0 HB THR A 2 8.972 9.123 3.070 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.771 8.463 0.576 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.657 10.608 1.135 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.936 11.184 2.230 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.368 10.388 0.697 1.00 0.00 H new ATOM 34 N LYS A 3 10.186 7.088 4.496 1.00 0.00 N ATOM 35 CA LYS A 3 9.831 5.766 5.038 1.00 0.00 C ATOM 36 C LYS A 3 9.152 4.876 3.987 1.00 0.00 C ATOM 37 O LYS A 3 9.478 3.694 3.889 1.00 0.00 O ATOM 38 CB LYS A 3 8.958 5.933 6.292 1.00 0.00 C ATOM 39 CG LYS A 3 8.774 4.596 7.028 1.00 0.00 C ATOM 40 CD LYS A 3 7.834 4.745 8.232 1.00 0.00 C ATOM 41 CE LYS A 3 7.465 3.386 8.834 1.00 0.00 C ATOM 42 NZ LYS A 3 8.640 2.683 9.383 1.00 0.00 N ATOM 0 H LYS A 3 9.804 7.866 5.034 1.00 0.00 H new ATOM 0 HA LYS A 3 10.751 5.255 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.417 6.659 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.984 6.332 6.009 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.372 3.852 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.743 4.228 7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.312 5.362 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.927 5.265 7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.727 3.528 9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.998 2.766 8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.338 1.784 9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.319 2.493 8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.092 3.276 10.108 1.00 0.00 H new ATOM 56 N CYS A 4 8.271 5.449 3.159 1.00 0.00 N ATOM 57 CA CYS A 4 7.677 4.753 2.021 1.00 0.00 C ATOM 58 C CYS A 4 8.763 4.285 1.045 1.00 0.00 C ATOM 59 O CYS A 4 8.886 3.088 0.796 1.00 0.00 O ATOM 60 CB CYS A 4 6.631 5.645 1.337 1.00 0.00 C ATOM 61 SG CYS A 4 5.579 4.746 0.174 1.00 0.00 S ATOM 0 H CYS A 4 7.951 6.412 3.263 1.00 0.00 H new ATOM 0 HA CYS A 4 7.163 3.861 2.380 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.005 6.109 2.099 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.140 6.451 0.808 1.00 0.00 H new ATOM 66 N GLN A 5 9.583 5.212 0.530 1.00 0.00 N ATOM 67 CA GLN A 5 10.646 4.901 -0.426 1.00 0.00 C ATOM 68 C GLN A 5 11.658 3.884 0.125 1.00 0.00 C ATOM 69 O GLN A 5 12.080 3.004 -0.622 1.00 0.00 O ATOM 70 CB GLN A 5 11.366 6.190 -0.849 1.00 0.00 C ATOM 71 CG GLN A 5 10.519 7.157 -1.694 1.00 0.00 C ATOM 72 CD GLN A 5 10.098 6.594 -3.049 1.00 0.00 C ATOM 73 OE1 GLN A 5 8.938 6.634 -3.417 1.00 0.00 O ATOM 74 NE2 GLN A 5 11.005 6.078 -3.853 1.00 0.00 N ATOM 0 H GLN A 5 9.524 6.202 0.768 1.00 0.00 H new ATOM 0 HA GLN A 5 10.174 4.441 -1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.702 6.712 0.047 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.258 5.922 -1.415 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.626 7.427 -1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.085 8.075 -1.854 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.981 6.037 -3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.731 5.720 -4.768 1.00 0.00 H new ATOM 83 N GLU A 6 12.015 3.961 1.415 1.00 0.00 N ATOM 84 CA GLU A 6 12.809 2.951 2.123 1.00 0.00 C ATOM 85 C GLU A 6 12.111 1.597 2.080 1.00 0.00 C ATOM 86 O GLU A 6 12.670 0.645 1.552 1.00 0.00 O ATOM 87 CB GLU A 6 13.015 3.342 3.592 1.00 0.00 C ATOM 88 CG GLU A 6 14.049 4.452 3.797 1.00 0.00 C ATOM 89 CD GLU A 6 14.194 4.819 5.274 1.00 0.00 C ATOM 90 OE1 GLU A 6 13.209 5.352 5.832 1.00 0.00 O ATOM 91 OE2 GLU A 6 15.285 4.558 5.828 1.00 0.00 O ATOM 0 H GLU A 6 11.752 4.748 2.008 1.00 0.00 H new ATOM 0 HA GLU A 6 13.776 2.890 1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.061 3.665 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.326 2.461 4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.013 4.129 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.754 5.334 3.229 1.00 0.00 H new ATOM 98 N GLU A 7 10.892 1.501 2.620 1.00 0.00 N ATOM 99 CA GLU A 7 10.168 0.231 2.708 1.00 0.00 C ATOM 100 C GLU A 7 9.980 -0.407 1.329 1.00 0.00 C ATOM 101 O GLU A 7 10.211 -1.604 1.185 1.00 0.00 O ATOM 102 CB GLU A 7 8.817 0.432 3.404 1.00 0.00 C ATOM 103 CG GLU A 7 8.970 0.657 4.917 1.00 0.00 C ATOM 104 CD GLU A 7 7.646 0.990 5.613 1.00 0.00 C ATOM 105 OE1 GLU A 7 6.783 1.646 4.982 1.00 0.00 O ATOM 106 OE2 GLU A 7 7.516 0.598 6.793 1.00 0.00 O ATOM 0 H GLU A 7 10.383 2.296 3.006 1.00 0.00 H new ATOM 0 HA GLU A 7 10.769 -0.455 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.306 1.287 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.187 -0.441 3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.396 -0.238 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.677 1.469 5.088 1.00 0.00 H new ATOM 113 N VAL A 8 9.643 0.381 0.302 1.00 0.00 N ATOM 114 CA VAL A 8 9.522 -0.105 -1.083 1.00 0.00 C ATOM 115 C VAL A 8 10.876 -0.562 -1.652 1.00 0.00 C ATOM 116 O VAL A 8 10.933 -1.517 -2.429 1.00 0.00 O ATOM 117 CB VAL A 8 8.861 0.963 -1.975 1.00 0.00 C ATOM 118 CG1 VAL A 8 8.730 0.543 -3.445 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.422 1.217 -1.508 1.00 0.00 C ATOM 0 H VAL A 8 9.445 1.376 0.405 1.00 0.00 H new ATOM 0 HA VAL A 8 8.877 -0.983 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 8 9.508 1.836 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.256 1.345 -4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.720 0.344 -3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.121 -0.359 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.961 1.973 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.850 0.291 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.431 1.567 -0.476 1.00 0.00 H new ATOM 129 N SER A 9 11.968 0.089 -1.238 1.00 0.00 N ATOM 130 CA SER A 9 13.357 -0.274 -1.568 1.00 0.00 C ATOM 131 C SER A 9 13.949 -1.395 -0.697 1.00 0.00 C ATOM 132 O SER A 9 15.118 -1.743 -0.879 1.00 0.00 O ATOM 133 CB SER A 9 14.283 0.946 -1.455 1.00 0.00 C ATOM 134 OG SER A 9 13.789 2.046 -2.188 1.00 0.00 O ATOM 0 H SER A 9 11.910 0.914 -0.642 1.00 0.00 H new ATOM 0 HA SER A 9 13.304 -0.644 -2.592 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.390 1.226 -0.407 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.277 0.684 -1.818 1.00 0.00 H new ATOM 0 HG SER A 9 12.892 2.277 -1.867 1.00 0.00 H new ATOM 140 N HIS A 10 13.207 -1.936 0.276 1.00 0.00 N ATOM 141 CA HIS A 10 13.699 -2.951 1.223 1.00 0.00 C ATOM 142 C HIS A 10 12.809 -4.201 1.255 1.00 0.00 C ATOM 143 O HIS A 10 13.313 -5.306 1.443 1.00 0.00 O ATOM 144 CB HIS A 10 13.865 -2.327 2.618 1.00 0.00 C ATOM 145 CG HIS A 10 14.826 -1.159 2.680 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.783 -0.822 1.745 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.831 -0.183 3.639 1.00 0.00 C ATOM 148 CE1 HIS A 10 16.348 0.332 2.139 1.00 0.00 C ATOM 149 NE2 HIS A 10 15.801 0.760 3.288 1.00 0.00 N ATOM 0 H HIS A 10 12.232 -1.679 0.432 1.00 0.00 H new ATOM 0 HA HIS A 10 14.675 -3.291 0.877 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.889 -1.995 2.971 1.00 0.00 H new ATOM 0 HB3 HIS A 10 14.208 -3.099 3.307 1.00 0.00 H new ATOM 0 HD1 HIS A 10 16.019 -1.353 0.906 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.197 -0.148 4.513 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.134 0.845 1.605 1.00 0.00 H new ATOM 157 N ILE A 11 11.504 -4.037 1.027 1.00 0.00 N ATOM 158 CA ILE A 11 10.539 -5.105 0.782 1.00 0.00 C ATOM 159 C ILE A 11 10.428 -5.198 -0.748 1.00 0.00 C ATOM 160 O ILE A 11 9.895 -4.267 -1.353 1.00 0.00 O ATOM 161 CB ILE A 11 9.164 -4.789 1.423 1.00 0.00 C ATOM 162 CG1 ILE A 11 9.273 -4.545 2.946 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.202 -5.957 1.128 1.00 0.00 C ATOM 164 CD1 ILE A 11 7.990 -3.972 3.565 1.00 0.00 C ATOM 0 H ILE A 11 11.074 -3.112 1.008 1.00 0.00 H new ATOM 0 HA ILE A 11 10.860 -6.046 1.228 1.00 0.00 H new ATOM 0 HB ILE A 11 8.781 -3.866 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.518 -5.485 3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.098 -3.859 3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.229 -5.749 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.090 -6.073 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.606 -6.877 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.136 -3.825 4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.755 -3.016 3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.166 -4.667 3.403 1.00 0.00 H new ATOM 176 N PRO A 12 10.960 -6.244 -1.406 1.00 0.00 N ATOM 177 CA PRO A 12 10.894 -6.371 -2.860 1.00 0.00 C ATOM 178 C PRO A 12 9.489 -6.779 -3.333 1.00 0.00 C ATOM 179 O PRO A 12 8.665 -7.250 -2.549 1.00 0.00 O ATOM 180 CB PRO A 12 11.935 -7.445 -3.195 1.00 0.00 C ATOM 181 CG PRO A 12 11.884 -8.363 -1.974 1.00 0.00 C ATOM 182 CD PRO A 12 11.655 -7.384 -0.824 1.00 0.00 C ATOM 0 HA PRO A 12 11.098 -5.426 -3.364 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.684 -7.978 -4.112 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.927 -7.016 -3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.078 -9.093 -2.050 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.811 -8.923 -1.850 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.061 -7.842 -0.033 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.601 -7.079 -0.376 1.00 0.00 H new ATOM 190 N ALA A 13 9.255 -6.705 -4.649 1.00 0.00 N ATOM 191 CA ALA A 13 8.029 -7.181 -5.300 1.00 0.00 C ATOM 192 C ALA A 13 7.733 -8.677 -5.043 1.00 0.00 C ATOM 193 O ALA A 13 6.589 -9.112 -5.140 1.00 0.00 O ATOM 194 CB ALA A 13 8.135 -6.892 -6.801 1.00 0.00 C ATOM 0 H ALA A 13 9.926 -6.304 -5.304 1.00 0.00 H new ATOM 0 HA ALA A 13 7.187 -6.644 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.232 -7.239 -7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.248 -5.819 -6.958 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.001 -7.412 -7.211 1.00 0.00 H new ATOM 200 N VAL A 14 8.748 -9.459 -4.655 1.00 0.00 N ATOM 201 CA VAL A 14 8.614 -10.832 -4.165 1.00 0.00 C ATOM 202 C VAL A 14 8.340 -10.774 -2.656 1.00 0.00 C ATOM 203 O VAL A 14 9.222 -11.026 -1.837 1.00 0.00 O ATOM 204 CB VAL A 14 9.854 -11.683 -4.530 1.00 0.00 C ATOM 205 CG1 VAL A 14 9.658 -13.158 -4.151 1.00 0.00 C ATOM 206 CG2 VAL A 14 10.134 -11.640 -6.042 1.00 0.00 C ATOM 0 H VAL A 14 9.717 -9.140 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 14 7.775 -11.332 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 14 10.687 -11.256 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.549 -13.725 -4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.490 -13.238 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.796 -13.559 -4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.011 -12.247 -6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.273 -12.032 -6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.317 -10.610 -6.349 1.00 0.00 H new ATOM 216 N HIS A 15 7.097 -10.434 -2.297 1.00 0.00 N ATOM 217 CA HIS A 15 6.602 -10.378 -0.912 1.00 0.00 C ATOM 218 C HIS A 15 5.569 -11.498 -0.630 1.00 0.00 C ATOM 219 O HIS A 15 4.368 -11.236 -0.484 1.00 0.00 O ATOM 220 CB HIS A 15 6.126 -8.951 -0.570 1.00 0.00 C ATOM 221 CG HIS A 15 5.051 -8.370 -1.460 1.00 0.00 C ATOM 222 ND1 HIS A 15 3.705 -8.333 -1.188 1.00 0.00 N ATOM 223 CD2 HIS A 15 5.243 -7.699 -2.635 1.00 0.00 C ATOM 224 CE1 HIS A 15 3.099 -7.676 -2.190 1.00 0.00 C ATOM 225 NE2 HIS A 15 3.997 -7.263 -3.096 1.00 0.00 N ATOM 0 H HIS A 15 6.384 -10.182 -2.981 1.00 0.00 H new ATOM 0 HA HIS A 15 7.421 -10.588 -0.224 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.758 -8.950 0.456 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.990 -8.287 -0.599 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.247 -8.734 -0.370 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.192 -7.534 -3.123 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.035 -7.504 -2.257 1.00 0.00 H new ATOM 233 N PRO A 16 5.999 -12.778 -0.553 1.00 0.00 N ATOM 234 CA PRO A 16 5.093 -13.913 -0.388 1.00 0.00 C ATOM 235 C PRO A 16 4.345 -13.828 0.946 1.00 0.00 C ATOM 236 O PRO A 16 4.930 -13.478 1.975 1.00 0.00 O ATOM 237 CB PRO A 16 5.967 -15.167 -0.492 1.00 0.00 C ATOM 238 CG PRO A 16 7.341 -14.677 -0.043 1.00 0.00 C ATOM 239 CD PRO A 16 7.378 -13.245 -0.572 1.00 0.00 C ATOM 0 HA PRO A 16 4.316 -13.928 -1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.597 -15.969 0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.992 -15.557 -1.510 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.448 -14.711 1.041 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.144 -15.284 -0.462 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.013 -12.615 0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.788 -13.212 -1.581 1.00 0.00 H new ATOM 247 N GLY A 17 3.028 -14.078 0.900 1.00 0.00 N ATOM 248 CA GLY A 17 2.091 -14.003 2.029 1.00 0.00 C ATOM 249 C GLY A 17 2.091 -12.688 2.823 1.00 0.00 C ATOM 250 O GLY A 17 1.422 -12.605 3.852 1.00 0.00 O ATOM 0 H GLY A 17 2.566 -14.351 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.083 -14.175 1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.316 -14.818 2.716 1.00 0.00 H new ATOM 254 N SER A 18 2.792 -11.649 2.355 1.00 0.00 N ATOM 255 CA SER A 18 3.099 -10.423 3.097 1.00 0.00 C ATOM 256 C SER A 18 2.790 -9.148 2.299 1.00 0.00 C ATOM 257 O SER A 18 2.489 -9.196 1.105 1.00 0.00 O ATOM 258 CB SER A 18 4.568 -10.490 3.555 1.00 0.00 C ATOM 259 OG SER A 18 5.432 -10.967 2.537 1.00 0.00 O ATOM 0 H SER A 18 3.176 -11.640 1.410 1.00 0.00 H new ATOM 0 HA SER A 18 2.449 -10.363 3.970 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.893 -9.498 3.868 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.644 -11.140 4.426 1.00 0.00 H new ATOM 0 HG SER A 18 5.422 -11.947 2.532 1.00 0.00 H new ATOM 265 N PHE A 19 2.806 -7.999 2.981 1.00 0.00 N ATOM 266 CA PHE A 19 2.504 -6.680 2.417 1.00 0.00 C ATOM 267 C PHE A 19 3.768 -5.983 1.889 1.00 0.00 C ATOM 268 O PHE A 19 4.860 -6.172 2.422 1.00 0.00 O ATOM 269 CB PHE A 19 1.844 -5.831 3.520 1.00 0.00 C ATOM 270 CG PHE A 19 1.667 -4.354 3.197 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.738 -3.947 2.222 1.00 0.00 C ATOM 272 CD2 PHE A 19 2.451 -3.383 3.853 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.584 -2.585 1.911 1.00 0.00 C ATOM 274 CE2 PHE A 19 2.291 -2.019 3.547 1.00 0.00 C ATOM 275 CZ PHE A 19 1.354 -1.618 2.579 1.00 0.00 C ATOM 0 H PHE A 19 3.037 -7.960 3.974 1.00 0.00 H new ATOM 0 HA PHE A 19 1.831 -6.798 1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.865 -6.255 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.443 -5.917 4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.140 -4.686 1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.177 -3.687 4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.127 -2.281 1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.889 -1.279 4.057 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.226 -0.570 2.350 1.00 0.00 H new ATOM 285 N ARG A 20 3.582 -5.111 0.889 1.00 0.00 N ATOM 286 CA ARG A 20 4.566 -4.166 0.362 1.00 0.00 C ATOM 287 C ARG A 20 3.842 -2.835 0.105 1.00 0.00 C ATOM 288 O ARG A 20 2.783 -2.863 -0.526 1.00 0.00 O ATOM 289 CB ARG A 20 5.174 -4.721 -0.935 1.00 0.00 C ATOM 290 CG ARG A 20 6.307 -3.839 -1.478 1.00 0.00 C ATOM 291 CD ARG A 20 6.752 -4.304 -2.866 1.00 0.00 C ATOM 292 NE ARG A 20 8.020 -3.665 -3.241 1.00 0.00 N ATOM 293 CZ ARG A 20 8.412 -3.230 -4.425 1.00 0.00 C ATOM 294 NH1 ARG A 20 7.646 -3.337 -5.486 1.00 0.00 N ATOM 295 NH2 ARG A 20 9.591 -2.669 -4.551 1.00 0.00 N ATOM 0 H ARG A 20 2.689 -5.045 0.401 1.00 0.00 H new ATOM 0 HA ARG A 20 5.380 -4.012 1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.556 -5.726 -0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.393 -4.809 -1.690 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.973 -2.803 -1.528 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.154 -3.868 -0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.868 -5.388 -2.873 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.984 -4.061 -3.601 1.00 0.00 H new ATOM 0 HE ARG A 20 8.690 -3.540 -2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.723 -3.765 -5.408 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.974 -2.993 -6.388 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.199 -2.571 -3.738 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.900 -2.331 -5.462 1.00 0.00 H new ATOM 309 N PRO A 21 4.355 -1.687 0.583 1.00 0.00 N ATOM 310 CA PRO A 21 3.751 -0.393 0.288 1.00 0.00 C ATOM 311 C PRO A 21 3.975 0.058 -1.166 1.00 0.00 C ATOM 312 O PRO A 21 4.661 -0.597 -1.949 1.00 0.00 O ATOM 313 CB PRO A 21 4.348 0.572 1.320 1.00 0.00 C ATOM 314 CG PRO A 21 5.696 -0.046 1.680 1.00 0.00 C ATOM 315 CD PRO A 21 5.494 -1.546 1.478 1.00 0.00 C ATOM 0 HA PRO A 21 2.665 -0.433 0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.468 1.573 0.906 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.706 0.664 2.196 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.492 0.337 1.041 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.975 0.182 2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.385 -2.004 1.049 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.306 -2.045 2.429 1.00 0.00 H new ATOM 323 N LYS A 22 3.376 1.200 -1.522 1.00 0.00 N ATOM 324 CA LYS A 22 3.523 1.911 -2.799 1.00 0.00 C ATOM 325 C LYS A 22 3.592 3.421 -2.543 1.00 0.00 C ATOM 326 O LYS A 22 2.955 3.903 -1.602 1.00 0.00 O ATOM 327 CB LYS A 22 2.342 1.598 -3.743 1.00 0.00 C ATOM 328 CG LYS A 22 2.130 0.117 -4.096 1.00 0.00 C ATOM 329 CD LYS A 22 1.124 -0.595 -3.174 1.00 0.00 C ATOM 330 CE LYS A 22 0.932 -2.050 -3.607 1.00 0.00 C ATOM 331 NZ LYS A 22 2.134 -2.862 -3.338 1.00 0.00 N ATOM 0 H LYS A 22 2.737 1.682 -0.889 1.00 0.00 H new ATOM 0 HA LYS A 22 4.444 1.576 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.428 1.975 -3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.487 2.154 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.782 0.043 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.088 -0.401 -4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.479 -0.560 -2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.167 -0.073 -3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.079 -2.477 -3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.699 -2.085 -4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.938 -3.858 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.922 -2.521 -3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.391 -2.780 -2.333 1.00 0.00 H new ATOM 345 N CYS A 23 4.290 4.183 -3.390 1.00 0.00 N ATOM 346 CA CYS A 23 4.536 5.615 -3.173 1.00 0.00 C ATOM 347 C CYS A 23 4.317 6.456 -4.433 1.00 0.00 C ATOM 348 O CYS A 23 4.339 5.953 -5.555 1.00 0.00 O ATOM 349 CB CYS A 23 5.977 5.830 -2.669 1.00 0.00 C ATOM 350 SG CYS A 23 6.672 4.601 -1.530 1.00 0.00 S ATOM 0 H CYS A 23 4.703 3.824 -4.251 1.00 0.00 H new ATOM 0 HA CYS A 23 3.813 5.946 -2.427 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.631 5.886 -3.540 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.017 6.802 -2.177 1.00 0.00 H new ATOM 355 N ASP A 24 4.088 7.753 -4.221 1.00 0.00 N ATOM 356 CA ASP A 24 3.720 8.731 -5.235 1.00 0.00 C ATOM 357 C ASP A 24 4.910 9.558 -5.771 1.00 0.00 C ATOM 358 O ASP A 24 6.050 9.410 -5.335 1.00 0.00 O ATOM 359 CB ASP A 24 2.562 9.591 -4.684 1.00 0.00 C ATOM 360 CG ASP A 24 2.901 10.416 -3.438 1.00 0.00 C ATOM 361 OD1 ASP A 24 4.048 10.912 -3.347 1.00 0.00 O ATOM 362 OD2 ASP A 24 1.993 10.546 -2.591 1.00 0.00 O ATOM 0 H ASP A 24 4.159 8.166 -3.291 1.00 0.00 H new ATOM 0 HA ASP A 24 3.377 8.202 -6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.228 10.269 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.723 8.936 -4.450 1.00 0.00 H new ATOM 367 N GLU A 25 4.632 10.484 -6.696 1.00 0.00 N ATOM 368 CA GLU A 25 5.590 11.409 -7.331 1.00 0.00 C ATOM 369 C GLU A 25 6.296 12.380 -6.362 1.00 0.00 C ATOM 370 O GLU A 25 7.137 13.177 -6.774 1.00 0.00 O ATOM 371 CB GLU A 25 4.892 12.182 -8.470 1.00 0.00 C ATOM 372 CG GLU A 25 3.948 13.323 -8.035 1.00 0.00 C ATOM 373 CD GLU A 25 2.877 12.867 -7.042 1.00 0.00 C ATOM 374 OE1 GLU A 25 2.109 11.954 -7.421 1.00 0.00 O ATOM 375 OE2 GLU A 25 2.902 13.358 -5.893 1.00 0.00 O ATOM 0 H GLU A 25 3.683 10.619 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 25 6.390 10.784 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.659 12.601 -9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.320 11.472 -9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.537 14.122 -7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.463 13.742 -8.917 1.00 0.00 H new ATOM 382 N ASN A 26 5.942 12.347 -5.078 1.00 0.00 N ATOM 383 CA ASN A 26 6.564 13.091 -3.982 1.00 0.00 C ATOM 384 C ASN A 26 7.054 12.139 -2.868 1.00 0.00 C ATOM 385 O ASN A 26 7.244 12.560 -1.725 1.00 0.00 O ATOM 386 CB ASN A 26 5.576 14.173 -3.492 1.00 0.00 C ATOM 387 CG ASN A 26 5.430 15.401 -4.389 1.00 0.00 C ATOM 388 OD1 ASN A 26 4.788 16.368 -4.013 1.00 0.00 O ATOM 389 ND2 ASN A 26 6.015 15.454 -5.571 1.00 0.00 N ATOM 0 H ASN A 26 5.168 11.766 -4.755 1.00 0.00 H new ATOM 0 HA ASN A 26 7.462 13.601 -4.330 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.594 13.714 -3.375 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.893 14.505 -2.503 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.925 16.291 -6.148 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.557 14.658 -5.908 1.00 0.00 H new ATOM 396 N GLY A 27 7.235 10.843 -3.171 1.00 0.00 N ATOM 397 CA GLY A 27 7.783 9.830 -2.264 1.00 0.00 C ATOM 398 C GLY A 27 6.922 9.541 -1.031 1.00 0.00 C ATOM 399 O GLY A 27 7.367 8.831 -0.130 1.00 0.00 O ATOM 0 H GLY A 27 6.995 10.462 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.922 8.902 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.770 10.154 -1.933 1.00 0.00 H new ATOM 403 N ASN A 28 5.711 10.096 -0.964 1.00 0.00 N ATOM 404 CA ASN A 28 4.737 9.839 0.088 1.00 0.00 C ATOM 405 C ASN A 28 3.934 8.584 -0.283 1.00 0.00 C ATOM 406 O ASN A 28 3.952 8.161 -1.443 1.00 0.00 O ATOM 407 CB ASN A 28 3.859 11.093 0.243 1.00 0.00 C ATOM 408 CG ASN A 28 4.529 12.198 1.052 1.00 0.00 C ATOM 409 OD1 ASN A 28 4.075 12.552 2.128 1.00 0.00 O ATOM 410 ND2 ASN A 28 5.615 12.789 0.587 1.00 0.00 N ATOM 0 H ASN A 28 5.374 10.757 -1.664 1.00 0.00 H new ATOM 0 HA ASN A 28 5.211 9.645 1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.607 11.477 -0.746 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.922 10.815 0.725 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.063 13.530 1.126 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.006 12.504 -0.311 1.00 0.00 H new ATOM 417 N TYR A 29 3.242 7.973 0.683 1.00 0.00 N ATOM 418 CA TYR A 29 2.479 6.748 0.441 1.00 0.00 C ATOM 419 C TYR A 29 1.357 7.023 -0.561 1.00 0.00 C ATOM 420 O TYR A 29 0.569 7.952 -0.374 1.00 0.00 O ATOM 421 CB TYR A 29 1.932 6.168 1.753 1.00 0.00 C ATOM 422 CG TYR A 29 2.997 5.607 2.681 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.686 6.463 3.561 1.00 0.00 C ATOM 424 CD2 TYR A 29 3.295 4.228 2.672 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.659 5.951 4.437 1.00 0.00 C ATOM 426 CE2 TYR A 29 4.283 3.712 3.536 1.00 0.00 C ATOM 427 CZ TYR A 29 4.962 4.575 4.423 1.00 0.00 C ATOM 428 OH TYR A 29 5.929 4.105 5.254 1.00 0.00 O ATOM 0 H TYR A 29 3.195 8.310 1.645 1.00 0.00 H new ATOM 0 HA TYR A 29 3.145 5.999 0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.382 6.948 2.280 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.219 5.378 1.518 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.466 7.520 3.563 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.766 3.566 2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.173 6.611 5.120 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.520 2.658 3.519 1.00 0.00 H new ATOM 0 HH TYR A 29 5.968 3.128 5.191 1.00 0.00 H new ATOM 438 N LEU A 30 1.297 6.221 -1.633 1.00 0.00 N ATOM 439 CA LEU A 30 0.238 6.324 -2.634 1.00 0.00 C ATOM 440 C LEU A 30 -1.133 6.211 -1.935 1.00 0.00 C ATOM 441 O LEU A 30 -1.297 5.274 -1.152 1.00 0.00 O ATOM 442 CB LEU A 30 0.375 5.238 -3.724 1.00 0.00 C ATOM 443 CG LEU A 30 0.880 5.771 -5.076 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.248 4.606 -5.997 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.161 6.642 -5.786 1.00 0.00 C ATOM 0 H LEU A 30 1.979 5.488 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 30 0.324 7.292 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.059 4.467 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.594 4.761 -3.872 1.00 0.00 H new ATOM 0 HG LEU A 30 1.755 6.386 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.604 4.995 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.033 4.009 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.369 3.983 -6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.245 6.993 -6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.061 6.056 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.408 7.498 -5.158 1.00 0.00 H new ATOM 457 N PRO A 31 -2.122 7.088 -2.204 1.00 0.00 N ATOM 458 CA PRO A 31 -3.431 7.074 -1.541 1.00 0.00 C ATOM 459 C PRO A 31 -4.187 5.734 -1.517 1.00 0.00 C ATOM 460 O PRO A 31 -5.083 5.591 -0.690 1.00 0.00 O ATOM 461 CB PRO A 31 -4.243 8.184 -2.214 1.00 0.00 C ATOM 462 CG PRO A 31 -3.154 9.198 -2.555 1.00 0.00 C ATOM 463 CD PRO A 31 -1.995 8.307 -2.989 1.00 0.00 C ATOM 0 HA PRO A 31 -3.273 7.240 -0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.765 7.829 -3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.997 8.602 -1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.465 9.875 -3.351 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.891 9.815 -1.696 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.044 8.092 -4.057 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.037 8.793 -2.805 1.00 0.00 H new ATOM 471 N LEU A 32 -3.824 4.760 -2.366 1.00 0.00 N ATOM 472 CA LEU A 32 -4.256 3.359 -2.327 1.00 0.00 C ATOM 473 C LEU A 32 -3.029 2.493 -1.987 1.00 0.00 C ATOM 474 O LEU A 32 -1.991 2.621 -2.635 1.00 0.00 O ATOM 475 CB LEU A 32 -4.849 2.952 -3.694 1.00 0.00 C ATOM 476 CG LEU A 32 -5.417 1.513 -3.725 1.00 0.00 C ATOM 477 CD1 LEU A 32 -6.776 1.421 -3.047 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.577 0.998 -5.158 1.00 0.00 C ATOM 0 H LEU A 32 -3.185 4.942 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.029 3.218 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.642 3.651 -3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.076 3.044 -4.457 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.694 0.901 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.136 0.393 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.684 1.728 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.482 2.076 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.978 -0.015 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.261 1.648 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.606 0.994 -5.654 1.00 0.00 H new ATOM 490 N GLN A 33 -3.162 1.583 -1.016 1.00 0.00 N ATOM 491 CA GLN A 33 -2.168 0.549 -0.704 1.00 0.00 C ATOM 492 C GLN A 33 -2.813 -0.834 -0.839 1.00 0.00 C ATOM 493 O GLN A 33 -4.000 -0.994 -0.553 1.00 0.00 O ATOM 494 CB GLN A 33 -1.627 0.730 0.722 1.00 0.00 C ATOM 495 CG GLN A 33 -0.937 2.072 0.991 1.00 0.00 C ATOM 496 CD GLN A 33 0.375 2.271 0.244 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.357 1.578 0.462 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.469 3.255 -0.618 1.00 0.00 N ATOM 0 H GLN A 33 -3.982 1.544 -0.411 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.337 0.639 -1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.453 0.617 1.424 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.919 -0.073 0.930 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.620 2.877 0.720 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.748 2.160 2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.342 3.843 -0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.353 3.432 -1.095 1.00 0.00 H new ATOM 507 N CYS A 34 -2.027 -1.837 -1.249 1.00 0.00 N ATOM 508 CA CYS A 34 -2.530 -3.178 -1.540 1.00 0.00 C ATOM 509 C CYS A 34 -1.601 -4.278 -1.018 1.00 0.00 C ATOM 510 O CYS A 34 -0.442 -4.388 -1.415 1.00 0.00 O ATOM 511 CB CYS A 34 -2.769 -3.335 -3.045 1.00 0.00 C ATOM 512 SG CYS A 34 -4.066 -2.282 -3.750 1.00 0.00 S ATOM 0 H CYS A 34 -1.021 -1.737 -1.388 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.477 -3.293 -1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.835 -3.127 -3.566 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.022 -4.376 -3.247 1.00 0.00 H new ATOM 517 N TYR A 35 -2.151 -5.150 -0.174 1.00 0.00 N ATOM 518 CA TYR A 35 -1.541 -6.395 0.280 1.00 0.00 C ATOM 519 C TYR A 35 -1.832 -7.454 -0.796 1.00 0.00 C ATOM 520 O TYR A 35 -2.626 -8.381 -0.623 1.00 0.00 O ATOM 521 CB TYR A 35 -2.080 -6.680 1.693 1.00 0.00 C ATOM 522 CG TYR A 35 -1.516 -7.827 2.517 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.694 -8.837 1.973 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.881 -7.891 3.877 1.00 0.00 C ATOM 525 CE1 TYR A 35 -0.301 -9.928 2.770 1.00 0.00 C ATOM 526 CE2 TYR A 35 -1.452 -8.959 4.686 1.00 0.00 C ATOM 527 CZ TYR A 35 -0.666 -9.990 4.133 1.00 0.00 C ATOM 528 OH TYR A 35 -0.268 -11.024 4.923 1.00 0.00 O ATOM 0 H TYR A 35 -3.076 -4.999 0.229 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.456 -6.372 0.385 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.949 -5.769 2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.153 -6.848 1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.367 -8.773 0.946 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.496 -7.112 4.302 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.285 -10.725 2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.725 -8.989 5.731 1.00 0.00 H new ATOM 0 HH TYR A 35 0.593 -11.367 4.604 1.00 0.00 H new ATOM 538 N GLY A 36 -1.171 -7.266 -1.947 1.00 0.00 N ATOM 539 CA GLY A 36 -1.375 -8.032 -3.178 1.00 0.00 C ATOM 540 C GLY A 36 -1.280 -9.546 -2.985 1.00 0.00 C ATOM 541 O GLY A 36 -2.059 -10.279 -3.585 1.00 0.00 O ATOM 0 H GLY A 36 -0.453 -6.548 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.355 -7.788 -3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.634 -7.722 -3.915 1.00 0.00 H new ATOM 545 N SER A 37 -0.397 -10.009 -2.093 1.00 0.00 N ATOM 546 CA SER A 37 -0.185 -11.425 -1.769 1.00 0.00 C ATOM 547 C SER A 37 -1.401 -12.141 -1.160 1.00 0.00 C ATOM 548 O SER A 37 -1.392 -13.367 -1.094 1.00 0.00 O ATOM 549 CB SER A 37 1.060 -11.566 -0.890 1.00 0.00 C ATOM 550 OG SER A 37 2.133 -10.958 -1.582 1.00 0.00 O ATOM 0 H SER A 37 0.210 -9.388 -1.559 1.00 0.00 H new ATOM 0 HA SER A 37 -0.030 -11.939 -2.718 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.905 -11.086 0.076 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.275 -12.616 -0.694 1.00 0.00 H new ATOM 0 HG SER A 37 2.972 -11.402 -1.339 1.00 0.00 H new ATOM 556 N ILE A 38 -2.450 -11.410 -0.747 1.00 0.00 N ATOM 557 CA ILE A 38 -3.769 -11.942 -0.390 1.00 0.00 C ATOM 558 C ILE A 38 -4.884 -11.325 -1.261 1.00 0.00 C ATOM 559 O ILE A 38 -6.045 -11.723 -1.153 1.00 0.00 O ATOM 560 CB ILE A 38 -4.056 -11.748 1.112 1.00 0.00 C ATOM 561 CG1 ILE A 38 -4.021 -10.270 1.551 1.00 0.00 C ATOM 562 CG2 ILE A 38 -3.112 -12.617 1.961 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.625 -10.018 2.938 1.00 0.00 C ATOM 0 H ILE A 38 -2.397 -10.396 -0.650 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.758 -13.013 -0.591 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.080 -12.081 1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.987 -9.925 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.559 -9.671 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.331 -12.466 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.257 -13.667 1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.079 -12.335 1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.563 -8.956 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.669 -10.330 2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.073 -10.589 3.685 1.00 0.00 H new ATOM 575 N GLY A 39 -4.544 -10.360 -2.126 1.00 0.00 N ATOM 576 CA GLY A 39 -5.446 -9.651 -3.029 1.00 0.00 C ATOM 577 C GLY A 39 -6.340 -8.605 -2.355 1.00 0.00 C ATOM 578 O GLY A 39 -7.465 -8.425 -2.815 1.00 0.00 O ATOM 0 H GLY A 39 -3.580 -10.040 -2.215 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.853 -9.159 -3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.081 -10.380 -3.532 1.00 0.00 H new ATOM 582 N TYR A 40 -5.896 -7.950 -1.272 1.00 0.00 N ATOM 583 CA TYR A 40 -6.681 -6.922 -0.565 1.00 0.00 C ATOM 584 C TYR A 40 -6.049 -5.532 -0.700 1.00 0.00 C ATOM 585 O TYR A 40 -4.827 -5.415 -0.795 1.00 0.00 O ATOM 586 CB TYR A 40 -6.837 -7.287 0.921 1.00 0.00 C ATOM 587 CG TYR A 40 -7.934 -8.297 1.202 1.00 0.00 C ATOM 588 CD1 TYR A 40 -7.735 -9.658 0.914 1.00 0.00 C ATOM 589 CD2 TYR A 40 -9.166 -7.872 1.738 1.00 0.00 C ATOM 590 CE1 TYR A 40 -8.760 -10.591 1.138 1.00 0.00 C ATOM 591 CE2 TYR A 40 -10.203 -8.797 1.952 1.00 0.00 C ATOM 592 CZ TYR A 40 -10.005 -10.158 1.643 1.00 0.00 C ATOM 593 OH TYR A 40 -11.014 -11.049 1.828 1.00 0.00 O ATOM 0 H TYR A 40 -4.979 -8.118 -0.859 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.666 -6.889 -1.030 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.890 -7.684 1.287 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.042 -6.378 1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.786 -9.989 0.517 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.314 -6.831 1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.596 -11.637 0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -11.150 -8.465 2.352 1.00 0.00 H new ATOM 0 HH TYR A 40 -11.800 -10.584 2.183 1.00 0.00 H new ATOM 603 N CYS A 41 -6.873 -4.478 -0.634 1.00 0.00 N ATOM 604 CA CYS A 41 -6.419 -3.084 -0.616 1.00 0.00 C ATOM 605 C CYS A 41 -7.158 -2.241 0.424 1.00 0.00 C ATOM 606 O CYS A 41 -8.214 -2.631 0.920 1.00 0.00 O ATOM 607 CB CYS A 41 -6.587 -2.431 -2.001 1.00 0.00 C ATOM 608 SG CYS A 41 -5.819 -3.276 -3.411 1.00 0.00 S ATOM 0 H CYS A 41 -7.888 -4.573 -0.591 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.364 -3.113 -0.345 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.654 -2.336 -2.203 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.181 -1.421 -1.950 1.00 0.00 H new ATOM 613 N TRP A 42 -6.603 -1.065 0.717 1.00 0.00 N ATOM 614 CA TRP A 42 -7.216 0.009 1.497 1.00 0.00 C ATOM 615 C TRP A 42 -6.696 1.359 0.997 1.00 0.00 C ATOM 616 O TRP A 42 -5.654 1.438 0.339 1.00 0.00 O ATOM 617 CB TRP A 42 -6.915 -0.163 2.991 1.00 0.00 C ATOM 618 CG TRP A 42 -5.469 -0.247 3.352 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.669 0.788 3.697 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.638 -1.441 3.381 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.399 0.304 3.962 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.320 -1.058 3.759 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.864 -2.810 3.116 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.272 -1.983 3.861 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.823 -3.749 3.217 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.530 -3.339 3.587 1.00 0.00 C ATOM 0 H TRP A 42 -5.664 -0.824 0.400 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.298 -0.031 1.368 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.358 0.674 3.531 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.412 -1.068 3.342 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.972 1.823 3.756 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.618 0.883 4.270 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.852 -3.140 2.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.281 -1.660 4.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.017 -4.791 3.009 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.734 -4.065 3.661 1.00 0.00 H new ATOM 637 N CYS A 43 -7.390 2.436 1.358 1.00 0.00 N ATOM 638 CA CYS A 43 -6.893 3.787 1.142 1.00 0.00 C ATOM 639 C CYS A 43 -6.028 4.212 2.329 1.00 0.00 C ATOM 640 O CYS A 43 -6.281 3.798 3.462 1.00 0.00 O ATOM 641 CB CYS A 43 -8.053 4.769 0.960 1.00 0.00 C ATOM 642 SG CYS A 43 -9.115 4.476 -0.472 1.00 0.00 S ATOM 0 H CYS A 43 -8.306 2.395 1.805 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.291 3.797 0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.671 4.743 1.858 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.643 5.776 0.884 1.00 0.00 H new ATOM 647 N VAL A 44 -5.055 5.094 2.093 1.00 0.00 N ATOM 648 CA VAL A 44 -4.232 5.709 3.140 1.00 0.00 C ATOM 649 C VAL A 44 -4.123 7.219 2.938 1.00 0.00 C ATOM 650 O VAL A 44 -4.275 7.728 1.826 1.00 0.00 O ATOM 651 CB VAL A 44 -2.797 5.137 3.192 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.770 3.646 3.528 1.00 0.00 C ATOM 653 CG2 VAL A 44 -2.006 5.374 1.901 1.00 0.00 C ATOM 0 H VAL A 44 -4.811 5.407 1.153 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.738 5.479 4.077 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.313 5.690 3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.738 3.297 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.230 3.484 4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.323 3.092 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.008 4.949 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.520 4.897 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.927 6.445 1.714 1.00 0.00 H new ATOM 663 N PHE A 45 -3.818 7.933 4.019 1.00 0.00 N ATOM 664 CA PHE A 45 -3.381 9.323 3.948 1.00 0.00 C ATOM 665 C PHE A 45 -1.888 9.319 3.522 1.00 0.00 C ATOM 666 O PHE A 45 -1.223 8.290 3.679 1.00 0.00 O ATOM 667 CB PHE A 45 -3.606 9.984 5.316 1.00 0.00 C ATOM 668 CG PHE A 45 -5.063 10.042 5.743 1.00 0.00 C ATOM 669 CD1 PHE A 45 -5.946 10.951 5.128 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.546 9.182 6.749 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.297 11.001 5.520 1.00 0.00 C ATOM 672 CE2 PHE A 45 -6.895 9.230 7.141 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.771 10.143 6.528 1.00 0.00 C ATOM 0 H PHE A 45 -3.867 7.563 4.968 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.948 9.900 3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.039 9.438 6.070 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.206 10.997 5.288 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.585 11.612 4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.875 8.481 7.222 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.971 11.699 5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.258 8.567 7.912 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.807 10.185 6.831 1.00 0.00 H new ATOM 683 N PRO A 46 -1.313 10.424 3.002 1.00 0.00 N ATOM 684 CA PRO A 46 0.054 10.447 2.449 1.00 0.00 C ATOM 685 C PRO A 46 1.179 9.934 3.370 1.00 0.00 C ATOM 686 O PRO A 46 2.228 9.511 2.883 1.00 0.00 O ATOM 687 CB PRO A 46 0.299 11.908 2.054 1.00 0.00 C ATOM 688 CG PRO A 46 -1.099 12.418 1.723 1.00 0.00 C ATOM 689 CD PRO A 46 -1.982 11.690 2.735 1.00 0.00 C ATOM 0 HA PRO A 46 0.098 9.744 1.617 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.752 12.475 2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.970 11.987 1.198 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.169 13.500 1.832 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.382 12.181 0.697 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.094 12.274 3.648 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.983 11.527 2.336 1.00 0.00 H new ATOM 697 N ASN A 47 0.963 9.933 4.692 1.00 0.00 N ATOM 698 CA ASN A 47 1.858 9.389 5.708 1.00 0.00 C ATOM 699 C ASN A 47 1.796 7.851 5.861 1.00 0.00 C ATOM 700 O ASN A 47 2.616 7.295 6.589 1.00 0.00 O ATOM 701 CB ASN A 47 1.524 10.064 7.051 1.00 0.00 C ATOM 702 CG ASN A 47 0.287 9.457 7.702 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.708 9.173 7.047 1.00 0.00 O ATOM 704 ND2 ASN A 47 0.338 9.180 8.985 1.00 0.00 N ATOM 0 H ASN A 47 0.116 10.333 5.096 1.00 0.00 H new ATOM 0 HA ASN A 47 2.877 9.603 5.386 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.374 9.967 7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.363 11.130 6.891 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.454 8.726 9.441 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.169 9.419 9.526 1.00 0.00 H new ATOM 711 N GLY A 48 0.823 7.178 5.230 1.00 0.00 N ATOM 712 CA GLY A 48 0.595 5.733 5.310 1.00 0.00 C ATOM 713 C GLY A 48 -0.529 5.299 6.265 1.00 0.00 C ATOM 714 O GLY A 48 -0.792 4.101 6.360 1.00 0.00 O ATOM 0 H GLY A 48 0.148 7.647 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.365 5.362 4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.522 5.252 5.623 1.00 0.00 H new ATOM 718 N THR A 49 -1.208 6.221 6.964 1.00 0.00 N ATOM 719 CA THR A 49 -2.313 5.885 7.879 1.00 0.00 C ATOM 720 C THR A 49 -3.553 5.488 7.079 1.00 0.00 C ATOM 721 O THR A 49 -4.033 6.275 6.268 1.00 0.00 O ATOM 722 CB THR A 49 -2.644 7.062 8.817 1.00 0.00 C ATOM 723 OG1 THR A 49 -1.568 7.279 9.703 1.00 0.00 O ATOM 724 CG2 THR A 49 -3.863 6.809 9.708 1.00 0.00 C ATOM 0 H THR A 49 -1.008 7.220 6.912 1.00 0.00 H new ATOM 0 HA THR A 49 -1.995 5.044 8.495 1.00 0.00 H new ATOM 0 HB THR A 49 -2.842 7.909 8.160 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.849 7.892 10.415 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.037 7.679 10.342 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.739 6.633 9.084 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.681 5.935 10.333 1.00 0.00 H new ATOM 732 N GLU A 50 -4.077 4.279 7.310 1.00 0.00 N ATOM 733 CA GLU A 50 -5.288 3.768 6.662 1.00 0.00 C ATOM 734 C GLU A 50 -6.528 4.647 6.898 1.00 0.00 C ATOM 735 O GLU A 50 -6.812 5.065 8.021 1.00 0.00 O ATOM 736 CB GLU A 50 -5.548 2.322 7.131 1.00 0.00 C ATOM 737 CG GLU A 50 -6.814 1.715 6.498 1.00 0.00 C ATOM 738 CD GLU A 50 -7.042 0.247 6.861 1.00 0.00 C ATOM 739 OE1 GLU A 50 -6.096 -0.552 6.693 1.00 0.00 O ATOM 740 OE2 GLU A 50 -8.178 -0.054 7.295 1.00 0.00 O ATOM 0 H GLU A 50 -3.662 3.616 7.965 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.111 3.789 5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.687 1.702 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.646 2.308 8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.681 2.296 6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.746 1.805 5.414 1.00 0.00 H new ATOM 747 N VAL A 51 -7.307 4.854 5.830 1.00 0.00 N ATOM 748 CA VAL A 51 -8.649 5.436 5.868 1.00 0.00 C ATOM 749 C VAL A 51 -9.598 4.267 6.192 1.00 0.00 C ATOM 750 O VAL A 51 -9.751 3.363 5.354 1.00 0.00 O ATOM 751 CB VAL A 51 -9.031 6.090 4.527 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.395 6.784 4.637 1.00 0.00 C ATOM 753 CG2 VAL A 51 -7.997 7.123 4.058 1.00 0.00 C ATOM 0 H VAL A 51 -7.008 4.612 4.885 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.706 6.230 6.612 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.069 5.284 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.649 7.241 3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.156 6.050 4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.350 7.555 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.316 7.552 3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.909 7.914 4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.030 6.637 3.929 1.00 0.00 H new ATOM 763 N PRO A 52 -10.192 4.217 7.401 1.00 0.00 N ATOM 764 CA PRO A 52 -10.913 3.041 7.880 1.00 0.00 C ATOM 765 C PRO A 52 -12.127 2.691 7.014 1.00 0.00 C ATOM 766 O PRO A 52 -12.671 3.530 6.297 1.00 0.00 O ATOM 767 CB PRO A 52 -11.292 3.348 9.333 1.00 0.00 C ATOM 768 CG PRO A 52 -11.335 4.875 9.376 1.00 0.00 C ATOM 769 CD PRO A 52 -10.227 5.272 8.403 1.00 0.00 C ATOM 0 HA PRO A 52 -10.287 2.151 7.817 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.255 2.912 9.597 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.558 2.947 10.032 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.305 5.261 9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.148 5.257 10.380 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.434 6.240 7.946 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.268 5.359 8.914 1.00 0.00 H new ATOM 777 N ASN A 53 -12.547 1.425 7.103 1.00 0.00 N ATOM 778 CA ASN A 53 -13.602 0.778 6.318 1.00 0.00 C ATOM 779 C ASN A 53 -13.307 0.645 4.809 1.00 0.00 C ATOM 780 O ASN A 53 -14.116 0.054 4.100 1.00 0.00 O ATOM 781 CB ASN A 53 -14.953 1.461 6.589 1.00 0.00 C ATOM 782 CG ASN A 53 -15.252 1.623 8.070 1.00 0.00 C ATOM 783 OD1 ASN A 53 -15.530 0.670 8.778 1.00 0.00 O ATOM 784 ND2 ASN A 53 -15.183 2.836 8.582 1.00 0.00 N ATOM 0 H ASN A 53 -12.129 0.780 7.773 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.644 -0.256 6.662 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.959 2.442 6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.748 0.877 6.126 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.363 2.981 9.576 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.950 3.629 7.985 1.00 0.00 H new ATOM 791 N THR A 54 -12.156 1.122 4.302 1.00 0.00 N ATOM 792 CA THR A 54 -11.761 0.898 2.901 1.00 0.00 C ATOM 793 C THR A 54 -11.139 -0.476 2.692 1.00 0.00 C ATOM 794 O THR A 54 -11.120 -0.939 1.559 1.00 0.00 O ATOM 795 CB THR A 54 -10.786 1.957 2.361 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.608 2.034 3.141 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.449 3.337 2.340 1.00 0.00 C ATOM 0 H THR A 54 -11.483 1.665 4.843 1.00 0.00 H new ATOM 0 HA THR A 54 -12.695 0.972 2.343 1.00 0.00 H new ATOM 0 HB THR A 54 -10.519 1.653 1.349 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.711 2.731 3.822 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.744 4.074 1.955 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.330 3.308 1.699 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.746 3.613 3.352 1.00 0.00 H new ATOM 805 N ARG A 55 -10.664 -1.137 3.761 1.00 0.00 N ATOM 806 CA ARG A 55 -9.990 -2.437 3.721 1.00 0.00 C ATOM 807 C ARG A 55 -10.886 -3.484 3.044 1.00 0.00 C ATOM 808 O ARG A 55 -11.775 -4.047 3.687 1.00 0.00 O ATOM 809 CB ARG A 55 -9.529 -2.830 5.138 1.00 0.00 C ATOM 810 CG ARG A 55 -8.355 -3.829 5.183 1.00 0.00 C ATOM 811 CD ARG A 55 -8.536 -5.142 4.407 1.00 0.00 C ATOM 812 NE ARG A 55 -9.813 -5.805 4.725 1.00 0.00 N ATOM 813 CZ ARG A 55 -10.029 -7.078 5.020 1.00 0.00 C ATOM 814 NH1 ARG A 55 -9.051 -7.945 5.124 1.00 0.00 N ATOM 815 NH2 ARG A 55 -11.259 -7.498 5.198 1.00 0.00 N ATOM 0 H ARG A 55 -10.744 -0.764 4.707 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.090 -2.377 3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.239 -1.926 5.674 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.375 -3.261 5.673 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.466 -3.327 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.157 -4.075 6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.491 -4.939 3.337 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.711 -5.816 4.639 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.638 -5.205 4.717 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.087 -7.646 4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.254 -8.918 5.353 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.038 -6.846 5.109 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.436 -8.476 5.425 1.00 0.00 H new ATOM 829 N SER A 56 -10.645 -3.751 1.758 1.00 0.00 N ATOM 830 CA SER A 56 -11.539 -4.523 0.896 1.00 0.00 C ATOM 831 C SER A 56 -10.816 -5.473 -0.069 1.00 0.00 C ATOM 832 O SER A 56 -9.596 -5.432 -0.237 1.00 0.00 O ATOM 833 CB SER A 56 -12.435 -3.530 0.141 1.00 0.00 C ATOM 834 OG SER A 56 -13.488 -4.210 -0.519 1.00 0.00 O ATOM 0 H SER A 56 -9.804 -3.429 1.278 1.00 0.00 H new ATOM 0 HA SER A 56 -12.133 -5.184 1.527 1.00 0.00 H new ATOM 0 HB2 SER A 56 -12.847 -2.801 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.841 -2.976 -0.586 1.00 0.00 H new ATOM 0 HG SER A 56 -14.050 -3.562 -0.993 1.00 0.00 H new ATOM 840 N ARG A 57 -11.631 -6.314 -0.720 1.00 0.00 N ATOM 841 CA ARG A 57 -11.369 -7.474 -1.587 1.00 0.00 C ATOM 842 C ARG A 57 -10.611 -7.146 -2.888 1.00 0.00 C ATOM 843 O ARG A 57 -10.311 -8.048 -3.667 1.00 0.00 O ATOM 844 CB ARG A 57 -12.739 -8.134 -1.817 1.00 0.00 C ATOM 845 CG ARG A 57 -12.869 -9.421 -2.658 1.00 0.00 C ATOM 846 CD ARG A 57 -12.101 -10.632 -2.117 1.00 0.00 C ATOM 847 NE ARG A 57 -10.667 -10.496 -2.380 1.00 0.00 N ATOM 848 CZ ARG A 57 -9.695 -11.314 -2.018 1.00 0.00 C ATOM 849 NH1 ARG A 57 -9.929 -12.485 -1.478 1.00 0.00 N ATOM 850 NH2 ARG A 57 -8.458 -10.935 -2.205 1.00 0.00 N ATOM 0 H ARG A 57 -12.638 -6.175 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.676 -8.161 -1.101 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.158 -8.351 -0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.381 -7.384 -2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.924 -9.683 -2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.521 -9.212 -3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.272 -10.727 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.476 -11.544 -2.582 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.384 -9.669 -2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.889 -12.793 -1.324 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.151 -13.088 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.261 -10.025 -2.622 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.690 -11.549 -1.934 1.00 0.00 H new ATOM 864 N GLY A 58 -10.295 -5.874 -3.122 1.00 0.00 N ATOM 865 CA GLY A 58 -9.529 -5.395 -4.270 1.00 0.00 C ATOM 866 C GLY A 58 -9.386 -3.873 -4.287 1.00 0.00 C ATOM 867 O GLY A 58 -9.789 -3.190 -3.343 1.00 0.00 O ATOM 0 H GLY A 58 -10.576 -5.121 -2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.538 -5.849 -4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.016 -5.721 -5.189 1.00 0.00 H new ATOM 871 N HIS A 59 -8.788 -3.363 -5.370 1.00 0.00 N ATOM 872 CA HIS A 59 -8.504 -1.947 -5.612 1.00 0.00 C ATOM 873 C HIS A 59 -9.751 -1.051 -5.531 1.00 0.00 C ATOM 874 O HIS A 59 -10.879 -1.495 -5.746 1.00 0.00 O ATOM 875 CB HIS A 59 -7.856 -1.790 -7.000 1.00 0.00 C ATOM 876 CG HIS A 59 -6.626 -2.636 -7.223 1.00 0.00 C ATOM 877 ND1 HIS A 59 -6.588 -3.864 -7.847 1.00 0.00 N ATOM 878 CD2 HIS A 59 -5.342 -2.308 -6.883 1.00 0.00 C ATOM 879 CE1 HIS A 59 -5.305 -4.265 -7.855 1.00 0.00 C ATOM 880 NE2 HIS A 59 -4.511 -3.355 -7.280 1.00 0.00 N ATOM 0 H HIS A 59 -8.474 -3.957 -6.138 1.00 0.00 H new ATOM 0 HA HIS A 59 -7.828 -1.620 -4.821 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -8.595 -2.040 -7.761 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -7.591 -0.743 -7.145 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.027 -1.398 -6.393 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -4.960 -5.200 -8.271 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -3.500 -3.415 -7.157 1.00 0.00 H new ATOM 888 N HIS A 60 -9.527 0.241 -5.273 1.00 0.00 N ATOM 889 CA HIS A 60 -10.555 1.281 -5.245 1.00 0.00 C ATOM 890 C HIS A 60 -9.933 2.662 -5.530 1.00 0.00 C ATOM 891 O HIS A 60 -8.711 2.798 -5.604 1.00 0.00 O ATOM 892 CB HIS A 60 -11.341 1.213 -3.917 1.00 0.00 C ATOM 893 CG HIS A 60 -10.609 0.646 -2.720 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.763 -0.621 -2.204 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.689 1.284 -1.937 1.00 0.00 C ATOM 896 CE1 HIS A 60 -9.990 -0.704 -1.108 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.304 0.425 -0.918 1.00 0.00 N ATOM 0 H HIS A 60 -8.594 0.601 -5.072 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.280 1.110 -6.041 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -11.673 2.221 -3.666 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.237 0.614 -4.082 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.355 -1.360 -2.584 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.323 2.289 -2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.932 -1.570 -0.466 1.00 0.00 H new ATOM 905 N ASN A 61 -10.765 3.697 -5.705 1.00 0.00 N ATOM 906 CA ASN A 61 -10.366 5.021 -6.146 1.00 0.00 C ATOM 907 C ASN A 61 -10.401 6.000 -4.978 1.00 0.00 C ATOM 908 O ASN A 61 -11.368 6.725 -4.756 1.00 0.00 O ATOM 909 CB ASN A 61 -11.178 5.465 -7.371 1.00 0.00 C ATOM 910 CG ASN A 61 -10.798 4.675 -8.613 1.00 0.00 C ATOM 911 OD1 ASN A 61 -11.582 3.909 -9.149 1.00 0.00 O ATOM 912 ND2 ASN A 61 -9.580 4.826 -9.097 1.00 0.00 N ATOM 0 H ASN A 61 -11.768 3.623 -5.535 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.331 4.997 -6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.241 5.336 -7.169 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.014 6.527 -7.551 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.291 4.301 -9.922 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.928 5.467 -8.646 1.00 0.00 H new ATOM 919 N CYS A 62 -9.310 5.960 -4.219 1.00 0.00 N ATOM 920 CA CYS A 62 -8.998 6.854 -3.111 1.00 0.00 C ATOM 921 C CYS A 62 -8.784 8.313 -3.567 1.00 0.00 C ATOM 922 O CYS A 62 -8.942 8.651 -4.742 1.00 0.00 O ATOM 923 CB CYS A 62 -7.733 6.308 -2.434 1.00 0.00 C ATOM 924 SG CYS A 62 -7.815 4.552 -2.026 1.00 0.00 S ATOM 0 H CYS A 62 -8.580 5.264 -4.370 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.840 6.881 -2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.880 6.478 -3.091 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.550 6.874 -1.521 1.00 0.00 H new ATOM 929 N SER A 63 -8.345 9.179 -2.646 1.00 0.00 N ATOM 930 CA SER A 63 -7.875 10.553 -2.881 1.00 0.00 C ATOM 931 C SER A 63 -6.587 10.630 -3.732 1.00 0.00 C ATOM 932 O SER A 63 -5.616 11.272 -3.343 1.00 0.00 O ATOM 933 CB SER A 63 -7.665 11.239 -1.520 1.00 0.00 C ATOM 934 OG SER A 63 -8.818 11.109 -0.709 1.00 0.00 O ATOM 0 H SER A 63 -8.305 8.927 -1.659 1.00 0.00 H new ATOM 0 HA SER A 63 -8.640 11.069 -3.462 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.807 10.797 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.438 12.294 -1.671 1.00 0.00 H new ATOM 0 HG SER A 63 -8.664 11.550 0.152 1.00 0.00 H new ATOM 940 N GLU A 64 -6.562 9.974 -4.897 1.00 0.00 N ATOM 941 CA GLU A 64 -5.434 9.780 -5.826 1.00 0.00 C ATOM 942 C GLU A 64 -4.982 11.063 -6.564 1.00 0.00 C ATOM 943 O GLU A 64 -4.529 11.012 -7.706 1.00 0.00 O ATOM 944 CB GLU A 64 -5.795 8.651 -6.817 1.00 0.00 C ATOM 945 CG GLU A 64 -5.991 7.284 -6.142 1.00 0.00 C ATOM 946 CD GLU A 64 -6.362 6.206 -7.163 1.00 0.00 C ATOM 947 OE1 GLU A 64 -7.530 6.214 -7.620 1.00 0.00 O ATOM 948 OE2 GLU A 64 -5.475 5.380 -7.468 1.00 0.00 O ATOM 0 H GLU A 64 -7.406 9.523 -5.249 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.568 9.498 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.709 8.921 -7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.006 8.569 -7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.076 6.997 -5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.774 7.358 -5.388 1.00 0.00 H new ATOM 955 N SER A 65 -5.088 12.229 -5.921 1.00 0.00 N ATOM 956 CA SER A 65 -4.674 13.526 -6.458 1.00 0.00 C ATOM 957 C SER A 65 -3.163 13.555 -6.718 1.00 0.00 C ATOM 958 O SER A 65 -2.383 13.819 -5.797 1.00 0.00 O ATOM 959 CB SER A 65 -5.104 14.649 -5.502 1.00 0.00 C ATOM 960 OG SER A 65 -4.441 14.517 -4.262 1.00 0.00 O ATOM 0 H SER A 65 -5.478 12.297 -4.981 1.00 0.00 H new ATOM 0 HA SER A 65 -5.168 13.685 -7.416 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.875 15.619 -5.943 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.183 14.614 -5.351 1.00 0.00 H new ATOM 0 HG SER A 65 -3.521 14.215 -4.413 1.00 0.00 H new TER 966 SER A 65