USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 726 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ -137:sc= 0.0415 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 38:sc= 1.14 USER MOD Single : A 7 LYS NZ :NH3+ -179:sc= -4.31! (180deg=-4.45!) USER MOD Single : A 11 THR OG1 : rot -170:sc= -0.137 USER MOD Single : A 13 LYS NZ :NH3+ -142:sc= -0.509 (180deg=-1.89!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -141:sc= -0.215 (180deg=-0.351) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.244) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.338 USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -1.23 (180deg=-2.21!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0737 USER MOD Single : A 49 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 50 SER OG : rot -95:sc= 1.18 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0957 USER MOD Single : A 59 TYR OH : rot -19:sc= 0.98 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.046 F(o=-0.95,f=-0.046) USER MOD Single : A 61 SER OG : rot -64:sc= 0.918 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -1.64! C(o=-1.6!,f=-6.4!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -62:sc= 0.194 USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0728) USER MOD Single : A 87 HIS : no HE2:sc= -0.39 K(o=-0.39,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.801 18.486 -5.792 1.00 0.00 N ATOM 2 CA LEU A 1 -7.776 18.646 -4.682 1.00 0.00 C ATOM 3 C LEU A 1 -8.775 17.494 -4.657 1.00 0.00 C ATOM 4 O LEU A 1 -8.805 16.666 -5.568 1.00 0.00 O ATOM 5 CB LEU A 1 -8.510 19.976 -4.866 1.00 0.00 C ATOM 6 CG LEU A 1 -8.925 20.672 -3.566 1.00 0.00 C ATOM 7 CD1 LEU A 1 -8.406 22.101 -3.533 1.00 0.00 C ATOM 8 CD2 LEU A 1 -10.439 20.651 -3.409 1.00 0.00 C ATOM 0 H1 LEU A 1 -5.846 18.716 -5.451 1.00 0.00 H new ATOM 0 H2 LEU A 1 -6.820 17.503 -6.132 1.00 0.00 H new ATOM 0 H3 LEU A 1 -7.054 19.127 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 1 -7.242 18.639 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.870 20.651 -5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -9.402 19.801 -5.468 1.00 0.00 H new ATOM 0 HG LEU A 1 -8.484 20.128 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -8.712 22.578 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -7.318 22.094 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -8.816 22.657 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -10.715 21.150 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -10.899 21.169 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -10.788 19.619 -3.384 1.00 0.00 H new ATOM 22 N PHE A 2 -9.594 17.448 -3.611 1.00 0.00 N ATOM 23 CA PHE A 2 -10.597 16.399 -3.471 1.00 0.00 C ATOM 24 C PHE A 2 -9.938 15.022 -3.393 1.00 0.00 C ATOM 25 O PHE A 2 -9.473 14.489 -4.399 1.00 0.00 O ATOM 26 CB PHE A 2 -11.584 16.460 -4.645 1.00 0.00 C ATOM 27 CG PHE A 2 -12.378 15.198 -4.851 1.00 0.00 C ATOM 28 CD1 PHE A 2 -12.962 14.545 -3.777 1.00 0.00 C ATOM 29 CD2 PHE A 2 -12.538 14.666 -6.121 1.00 0.00 C ATOM 30 CE1 PHE A 2 -13.691 13.386 -3.966 1.00 0.00 C ATOM 31 CE2 PHE A 2 -13.264 13.507 -6.316 1.00 0.00 C ATOM 32 CZ PHE A 2 -13.841 12.866 -5.237 1.00 0.00 C ATOM 0 H PHE A 2 -9.583 18.125 -2.848 1.00 0.00 H new ATOM 0 HA PHE A 2 -11.143 16.562 -2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -12.274 17.288 -4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -11.032 16.681 -5.558 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -12.846 14.946 -2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -12.090 15.164 -6.968 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -14.143 12.888 -3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -13.380 13.103 -7.311 1.00 0.00 H new ATOM 0 HZ PHE A 2 -14.409 11.960 -5.387 1.00 0.00 H new ATOM 42 N ILE A 3 -9.908 14.457 -2.187 1.00 0.00 N ATOM 43 CA ILE A 3 -9.314 13.141 -1.959 1.00 0.00 C ATOM 44 C ILE A 3 -7.927 13.031 -2.594 1.00 0.00 C ATOM 45 O ILE A 3 -7.405 14.003 -3.142 1.00 0.00 O ATOM 46 CB ILE A 3 -10.237 12.008 -2.479 1.00 0.00 C ATOM 47 CG1 ILE A 3 -10.268 10.850 -1.479 1.00 0.00 C ATOM 48 CG2 ILE A 3 -9.804 11.510 -3.856 1.00 0.00 C ATOM 49 CD1 ILE A 3 -11.441 10.907 -0.525 1.00 0.00 C ATOM 0 H ILE A 3 -10.291 14.893 -1.348 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.202 13.025 -0.881 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.241 12.420 -2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.301 9.908 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.342 10.852 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.476 10.717 -4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.840 12.334 -4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.787 11.123 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.399 10.056 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.398 11.832 0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.372 10.874 -1.091 1.00 0.00 H new ATOM 61 N ALA A 4 -7.335 11.843 -2.516 1.00 0.00 N ATOM 62 CA ALA A 4 -6.013 11.610 -3.082 1.00 0.00 C ATOM 63 C ALA A 4 -5.866 10.169 -3.560 1.00 0.00 C ATOM 64 O ALA A 4 -5.309 9.327 -2.858 1.00 0.00 O ATOM 65 CB ALA A 4 -4.936 11.941 -2.061 1.00 0.00 C ATOM 0 H ALA A 4 -7.751 11.028 -2.066 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.894 12.265 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.953 11.762 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.019 12.988 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.062 11.310 -1.181 1.00 0.00 H new ATOM 71 N THR A 5 -6.368 9.894 -4.760 1.00 0.00 N ATOM 72 CA THR A 5 -6.291 8.555 -5.332 1.00 0.00 C ATOM 73 C THR A 5 -5.176 8.471 -6.370 1.00 0.00 C ATOM 74 O THR A 5 -5.423 8.575 -7.571 1.00 0.00 O ATOM 75 CB THR A 5 -7.627 8.172 -5.968 1.00 0.00 C ATOM 76 OG1 THR A 5 -7.918 9.012 -7.072 1.00 0.00 O ATOM 77 CG2 THR A 5 -8.793 8.259 -5.007 1.00 0.00 C ATOM 0 H THR A 5 -6.832 10.581 -5.355 1.00 0.00 H new ATOM 0 HA THR A 5 -6.067 7.855 -4.527 1.00 0.00 H new ATOM 0 HB THR A 5 -7.510 7.135 -6.281 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.091 9.209 -7.560 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.711 7.974 -5.522 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.624 7.585 -4.167 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.886 9.281 -4.639 1.00 0.00 H new ATOM 85 N LEU A 6 -3.948 8.284 -5.898 1.00 0.00 N ATOM 86 CA LEU A 6 -2.793 8.186 -6.784 1.00 0.00 C ATOM 87 C LEU A 6 -2.437 6.727 -7.056 1.00 0.00 C ATOM 88 O LEU A 6 -2.273 5.935 -6.129 1.00 0.00 O ATOM 89 CB LEU A 6 -1.592 8.909 -6.171 1.00 0.00 C ATOM 90 CG LEU A 6 -1.220 8.460 -4.754 1.00 0.00 C ATOM 91 CD1 LEU A 6 0.255 8.099 -4.674 1.00 0.00 C ATOM 92 CD2 LEU A 6 -1.559 9.547 -3.744 1.00 0.00 C ATOM 0 H LEU A 6 -3.726 8.197 -4.906 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.051 8.661 -7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.729 8.763 -6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.801 9.979 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.803 7.571 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.498 7.783 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.469 7.286 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.857 8.969 -4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.288 9.211 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.004 10.454 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.628 9.756 -3.780 1.00 0.00 H new ATOM 104 N LYS A 7 -2.322 6.382 -8.333 1.00 0.00 N ATOM 105 CA LYS A 7 -1.986 5.019 -8.731 1.00 0.00 C ATOM 106 C LYS A 7 -0.558 4.942 -9.261 1.00 0.00 C ATOM 107 O LYS A 7 -0.255 5.465 -10.332 1.00 0.00 O ATOM 108 CB LYS A 7 -2.970 4.523 -9.796 1.00 0.00 C ATOM 109 CG LYS A 7 -2.629 3.152 -10.360 1.00 0.00 C ATOM 110 CD LYS A 7 -2.455 2.116 -9.260 1.00 0.00 C ATOM 111 CE LYS A 7 -1.791 0.854 -9.785 1.00 0.00 C ATOM 112 NZ LYS A 7 -2.249 -0.360 -9.056 1.00 0.00 N ATOM 0 H LYS A 7 -2.456 7.027 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.059 4.379 -7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.970 4.489 -9.364 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.000 5.244 -10.613 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.419 2.832 -11.039 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.712 3.218 -10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.854 2.537 -8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.428 1.867 -8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.010 0.744 -10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.709 0.947 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.760 -1.197 -9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.033 -0.259 -8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.275 -0.473 -9.181 1.00 0.00 H new ATOM 126 N GLY A 8 0.314 4.286 -8.502 1.00 0.00 N ATOM 127 CA GLY A 8 1.700 4.152 -8.913 1.00 0.00 C ATOM 128 C GLY A 8 2.045 2.737 -9.331 1.00 0.00 C ATOM 129 O GLY A 8 1.271 1.809 -9.101 1.00 0.00 O ATOM 0 H GLY A 8 0.086 3.845 -7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.897 4.831 -9.742 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.350 4.454 -8.092 1.00 0.00 H new ATOM 133 N ILE A 9 3.211 2.569 -9.948 1.00 0.00 N ATOM 134 CA ILE A 9 3.649 1.255 -10.399 1.00 0.00 C ATOM 135 C ILE A 9 5.172 1.179 -10.489 1.00 0.00 C ATOM 136 O ILE A 9 5.814 2.056 -11.067 1.00 0.00 O ATOM 137 CB ILE A 9 3.041 0.901 -11.771 1.00 0.00 C ATOM 138 CG1 ILE A 9 3.420 -0.526 -12.173 1.00 0.00 C ATOM 139 CG2 ILE A 9 3.495 1.897 -12.829 1.00 0.00 C ATOM 140 CD1 ILE A 9 2.835 -0.955 -13.501 1.00 0.00 C ATOM 0 H ILE A 9 3.867 3.325 -10.146 1.00 0.00 H new ATOM 0 HA ILE A 9 3.300 0.534 -9.660 1.00 0.00 H new ATOM 0 HB ILE A 9 1.955 0.957 -11.693 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.506 -0.605 -12.221 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.084 -1.215 -11.398 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.056 1.631 -13.791 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.172 2.899 -12.547 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.582 1.874 -12.907 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.145 -1.976 -13.722 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.747 -0.909 -13.451 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.191 -0.290 -14.287 1.00 0.00 H new ATOM 152 N PHE A 10 5.741 0.123 -9.917 1.00 0.00 N ATOM 153 CA PHE A 10 7.187 -0.073 -9.936 1.00 0.00 C ATOM 154 C PHE A 10 7.571 -1.145 -10.951 1.00 0.00 C ATOM 155 O PHE A 10 6.901 -2.171 -11.067 1.00 0.00 O ATOM 156 CB PHE A 10 7.688 -0.471 -8.545 1.00 0.00 C ATOM 157 CG PHE A 10 8.173 0.690 -7.723 1.00 0.00 C ATOM 158 CD1 PHE A 10 7.348 1.774 -7.474 1.00 0.00 C ATOM 159 CD2 PHE A 10 9.457 0.694 -7.197 1.00 0.00 C ATOM 160 CE1 PHE A 10 7.792 2.841 -6.716 1.00 0.00 C ATOM 161 CE2 PHE A 10 9.906 1.760 -6.438 1.00 0.00 C ATOM 162 CZ PHE A 10 9.072 2.833 -6.198 1.00 0.00 C ATOM 0 H PHE A 10 5.223 -0.611 -9.434 1.00 0.00 H new ATOM 0 HA PHE A 10 7.655 0.868 -10.227 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.883 -0.974 -8.009 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.498 -1.192 -8.653 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.346 1.786 -7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.113 -0.144 -7.382 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.138 3.680 -6.529 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.908 1.752 -6.034 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.420 3.666 -5.605 1.00 0.00 H new ATOM 172 N THR A 11 8.652 -0.902 -11.686 1.00 0.00 N ATOM 173 CA THR A 11 9.120 -1.850 -12.691 1.00 0.00 C ATOM 174 C THR A 11 10.408 -2.530 -12.242 1.00 0.00 C ATOM 175 O THR A 11 11.478 -1.922 -12.254 1.00 0.00 O ATOM 176 CB THR A 11 9.337 -1.143 -14.030 1.00 0.00 C ATOM 177 OG1 THR A 11 9.627 0.230 -13.830 1.00 0.00 O ATOM 178 CG2 THR A 11 8.142 -1.229 -14.955 1.00 0.00 C ATOM 0 H THR A 11 9.219 -0.058 -11.605 1.00 0.00 H new ATOM 0 HA THR A 11 8.354 -2.616 -12.815 1.00 0.00 H new ATOM 0 HB THR A 11 10.175 -1.661 -14.497 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.607 0.697 -14.691 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.364 -0.707 -15.886 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.922 -2.275 -15.169 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.278 -0.767 -14.477 1.00 0.00 H new ATOM 186 N LEU A 12 10.284 -3.797 -11.846 1.00 0.00 N ATOM 187 CA LEU A 12 11.418 -4.593 -11.383 1.00 0.00 C ATOM 188 C LEU A 12 12.240 -3.842 -10.335 1.00 0.00 C ATOM 189 O LEU A 12 12.572 -2.671 -10.504 1.00 0.00 O ATOM 190 CB LEU A 12 12.301 -5.025 -12.562 1.00 0.00 C ATOM 191 CG LEU A 12 13.071 -3.907 -13.270 1.00 0.00 C ATOM 192 CD1 LEU A 12 14.411 -4.423 -13.771 1.00 0.00 C ATOM 193 CD2 LEU A 12 12.253 -3.345 -14.426 1.00 0.00 C ATOM 0 H LEU A 12 9.396 -4.299 -11.838 1.00 0.00 H new ATOM 0 HA LEU A 12 11.018 -5.489 -10.908 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.019 -5.761 -12.201 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.671 -5.527 -13.297 1.00 0.00 H new ATOM 0 HG LEU A 12 13.253 -3.105 -12.554 1.00 0.00 H new ATOM 0 HD11 LEU A 12 14.947 -3.617 -14.272 1.00 0.00 H new ATOM 0 HD12 LEU A 12 15.001 -4.782 -12.928 1.00 0.00 H new ATOM 0 HD13 LEU A 12 14.247 -5.241 -14.473 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.816 -2.551 -14.918 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.043 -4.139 -15.143 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.314 -2.942 -14.045 1.00 0.00 H new ATOM 205 N LYS A 13 12.555 -4.532 -9.242 1.00 0.00 N ATOM 206 CA LYS A 13 13.330 -3.947 -8.145 1.00 0.00 C ATOM 207 C LYS A 13 14.446 -3.041 -8.663 1.00 0.00 C ATOM 208 O LYS A 13 14.810 -2.058 -8.017 1.00 0.00 O ATOM 209 CB LYS A 13 13.927 -5.050 -7.271 1.00 0.00 C ATOM 210 CG LYS A 13 14.730 -6.078 -8.052 1.00 0.00 C ATOM 211 CD LYS A 13 13.964 -7.381 -8.213 1.00 0.00 C ATOM 212 CE LYS A 13 14.470 -8.180 -9.401 1.00 0.00 C ATOM 213 NZ LYS A 13 14.556 -7.348 -10.634 1.00 0.00 N ATOM 0 H LYS A 13 12.285 -5.504 -9.090 1.00 0.00 H new ATOM 0 HA LYS A 13 12.648 -3.339 -7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.570 -4.596 -6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.121 -5.557 -6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.978 -5.677 -9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 13 15.673 -6.270 -7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 13 14.061 -7.976 -7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.903 -7.167 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.453 -8.590 -9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.806 -9.026 -9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.268 -7.916 -11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.926 -6.526 -10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.535 -7.021 -10.765 1.00 0.00 H new ATOM 227 N ASP A 14 14.983 -3.377 -9.831 1.00 0.00 N ATOM 228 CA ASP A 14 16.055 -2.594 -10.433 1.00 0.00 C ATOM 229 C ASP A 14 15.648 -1.131 -10.590 1.00 0.00 C ATOM 230 O ASP A 14 16.455 -0.231 -10.364 1.00 0.00 O ATOM 231 CB ASP A 14 16.437 -3.176 -11.794 1.00 0.00 C ATOM 232 CG ASP A 14 17.869 -2.862 -12.177 1.00 0.00 C ATOM 233 OD1 ASP A 14 18.771 -3.634 -11.787 1.00 0.00 O ATOM 234 OD2 ASP A 14 18.090 -1.846 -12.867 1.00 0.00 O ATOM 0 H ASP A 14 14.693 -4.187 -10.379 1.00 0.00 H new ATOM 0 HA ASP A 14 16.917 -2.640 -9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.298 -4.257 -11.776 1.00 0.00 H new ATOM 0 HB3 ASP A 14 15.765 -2.781 -12.556 1.00 0.00 H new ATOM 239 N LEU A 15 14.397 -0.901 -10.986 1.00 0.00 N ATOM 240 CA LEU A 15 13.892 0.457 -11.173 1.00 0.00 C ATOM 241 C LEU A 15 13.050 0.903 -9.975 1.00 0.00 C ATOM 242 O LEU A 15 11.858 0.602 -9.904 1.00 0.00 O ATOM 243 CB LEU A 15 13.063 0.538 -12.456 1.00 0.00 C ATOM 244 CG LEU A 15 13.393 1.721 -13.366 1.00 0.00 C ATOM 245 CD1 LEU A 15 12.540 1.680 -14.626 1.00 0.00 C ATOM 246 CD2 LEU A 15 13.191 3.034 -12.626 1.00 0.00 C ATOM 0 H LEU A 15 13.717 -1.635 -11.183 1.00 0.00 H new ATOM 0 HA LEU A 15 14.747 1.128 -11.255 1.00 0.00 H new ATOM 0 HB2 LEU A 15 13.203 -0.384 -13.020 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.008 0.590 -12.186 1.00 0.00 H new ATOM 0 HG LEU A 15 14.440 1.649 -13.659 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.789 2.530 -15.262 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.734 0.754 -15.167 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.486 1.727 -14.353 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.430 3.866 -13.289 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.153 3.114 -12.304 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.845 3.065 -11.754 1.00 0.00 H new ATOM 258 N PRO A 16 13.653 1.628 -9.013 1.00 0.00 N ATOM 259 CA PRO A 16 12.948 2.105 -7.826 1.00 0.00 C ATOM 260 C PRO A 16 12.256 3.443 -8.057 1.00 0.00 C ATOM 261 O PRO A 16 12.663 4.469 -7.509 1.00 0.00 O ATOM 262 CB PRO A 16 14.077 2.261 -6.819 1.00 0.00 C ATOM 263 CG PRO A 16 15.244 2.688 -7.644 1.00 0.00 C ATOM 264 CD PRO A 16 15.072 2.037 -8.997 1.00 0.00 C ATOM 0 HA PRO A 16 12.152 1.429 -7.514 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.833 3.003 -6.059 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.278 1.325 -6.298 1.00 0.00 H new ATOM 0 HG2 PRO A 16 15.277 3.774 -7.737 1.00 0.00 H new ATOM 0 HG3 PRO A 16 16.181 2.379 -7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.297 2.731 -9.807 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.736 1.181 -9.117 1.00 0.00 H new ATOM 272 N GLU A 17 11.207 3.420 -8.871 1.00 0.00 N ATOM 273 CA GLU A 17 10.445 4.624 -9.187 1.00 0.00 C ATOM 274 C GLU A 17 11.300 5.628 -9.958 1.00 0.00 C ATOM 275 O GLU A 17 11.028 5.921 -11.122 1.00 0.00 O ATOM 276 CB GLU A 17 9.896 5.263 -7.902 1.00 0.00 C ATOM 277 CG GLU A 17 9.628 6.758 -8.010 1.00 0.00 C ATOM 278 CD GLU A 17 8.637 7.098 -9.106 1.00 0.00 C ATOM 279 OE1 GLU A 17 8.349 6.215 -9.942 1.00 0.00 O ATOM 280 OE2 GLU A 17 8.148 8.247 -9.130 1.00 0.00 O ATOM 0 H GLU A 17 10.862 2.575 -9.327 1.00 0.00 H new ATOM 0 HA GLU A 17 9.606 4.337 -9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.970 4.759 -7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.606 5.091 -7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.248 7.125 -7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.567 7.278 -8.201 1.00 0.00 H new ATOM 287 N GLU A 18 12.326 6.158 -9.302 1.00 0.00 N ATOM 288 CA GLU A 18 13.203 7.135 -9.937 1.00 0.00 C ATOM 289 C GLU A 18 14.498 7.357 -9.159 1.00 0.00 C ATOM 290 O GLU A 18 15.512 7.751 -9.736 1.00 0.00 O ATOM 291 CB GLU A 18 12.465 8.463 -10.104 1.00 0.00 C ATOM 292 CG GLU A 18 13.246 9.501 -10.894 1.00 0.00 C ATOM 293 CD GLU A 18 12.483 10.802 -11.062 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.395 10.777 -11.674 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.974 11.844 -10.580 1.00 0.00 O ATOM 0 H GLU A 18 12.570 5.930 -8.338 1.00 0.00 H new ATOM 0 HA GLU A 18 13.478 6.733 -10.912 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.514 8.280 -10.603 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.235 8.867 -9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.191 9.701 -10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.489 9.097 -11.877 1.00 0.00 H new ATOM 302 N PHE A 19 14.467 7.117 -7.856 1.00 0.00 N ATOM 303 CA PHE A 19 15.652 7.311 -7.026 1.00 0.00 C ATOM 304 C PHE A 19 15.667 6.366 -5.824 1.00 0.00 C ATOM 305 O PHE A 19 16.289 5.303 -5.868 1.00 0.00 O ATOM 306 CB PHE A 19 15.732 8.764 -6.552 1.00 0.00 C ATOM 307 CG PHE A 19 16.405 9.682 -7.533 1.00 0.00 C ATOM 308 CD1 PHE A 19 17.782 9.833 -7.527 1.00 0.00 C ATOM 309 CD2 PHE A 19 15.659 10.396 -8.457 1.00 0.00 C ATOM 310 CE1 PHE A 19 18.403 10.679 -8.426 1.00 0.00 C ATOM 311 CE2 PHE A 19 16.275 11.243 -9.359 1.00 0.00 C ATOM 312 CZ PHE A 19 17.649 11.384 -9.344 1.00 0.00 C ATOM 0 H PHE A 19 13.643 6.790 -7.352 1.00 0.00 H new ATOM 0 HA PHE A 19 16.523 7.080 -7.639 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.724 9.130 -6.358 1.00 0.00 H new ATOM 0 HB3 PHE A 19 16.272 8.799 -5.606 1.00 0.00 H new ATOM 0 HD1 PHE A 19 18.377 9.284 -6.812 1.00 0.00 H new ATOM 0 HD2 PHE A 19 14.584 10.290 -8.473 1.00 0.00 H new ATOM 0 HE1 PHE A 19 19.477 10.789 -8.411 1.00 0.00 H new ATOM 0 HE2 PHE A 19 15.683 11.794 -10.075 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.133 12.044 -10.049 1.00 0.00 H new ATOM 322 N ARG A 20 14.996 6.764 -4.746 1.00 0.00 N ATOM 323 CA ARG A 20 14.952 5.957 -3.530 1.00 0.00 C ATOM 324 C ARG A 20 14.077 4.717 -3.707 1.00 0.00 C ATOM 325 O ARG A 20 12.933 4.814 -4.151 1.00 0.00 O ATOM 326 CB ARG A 20 14.433 6.795 -2.359 1.00 0.00 C ATOM 327 CG ARG A 20 15.277 8.027 -2.071 1.00 0.00 C ATOM 328 CD ARG A 20 16.301 7.759 -0.979 1.00 0.00 C ATOM 329 NE ARG A 20 17.639 7.545 -1.523 1.00 0.00 N ATOM 330 CZ ARG A 20 18.427 8.524 -1.962 1.00 0.00 C ATOM 331 NH1 ARG A 20 18.013 9.785 -1.926 1.00 0.00 N ATOM 332 NH2 ARG A 20 19.632 8.242 -2.438 1.00 0.00 N ATOM 0 H ARG A 20 14.476 7.640 -4.690 1.00 0.00 H new ATOM 0 HA ARG A 20 15.968 5.624 -3.318 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.410 7.107 -2.571 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.397 6.172 -1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 20 15.788 8.340 -2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 20 14.630 8.850 -1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 20 16.322 8.601 -0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.998 6.883 -0.406 1.00 0.00 H new ATOM 0 HE ARG A 20 17.991 6.589 -1.569 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.087 10.008 -1.561 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.621 10.531 -2.264 1.00 0.00 H new ATOM 0 HH21 ARG A 20 19.955 7.275 -2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 20 20.236 8.992 -2.774 1.00 0.00 H new ATOM 346 N PRO A 21 14.604 3.529 -3.357 1.00 0.00 N ATOM 347 CA PRO A 21 13.872 2.271 -3.473 1.00 0.00 C ATOM 348 C PRO A 21 13.045 1.970 -2.228 1.00 0.00 C ATOM 349 O PRO A 21 13.591 1.782 -1.140 1.00 0.00 O ATOM 350 CB PRO A 21 14.998 1.255 -3.624 1.00 0.00 C ATOM 351 CG PRO A 21 16.111 1.809 -2.796 1.00 0.00 C ATOM 352 CD PRO A 21 15.961 3.313 -2.815 1.00 0.00 C ATOM 0 HA PRO A 21 13.154 2.274 -4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.694 0.269 -3.272 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.296 1.144 -4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.061 1.428 -1.776 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.079 1.512 -3.200 1.00 0.00 H new ATOM 0 HD2 PRO A 21 16.064 3.737 -1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.720 3.782 -3.441 1.00 0.00 H new ATOM 360 N PHE A 22 11.726 1.925 -2.389 1.00 0.00 N ATOM 361 CA PHE A 22 10.833 1.647 -1.269 1.00 0.00 C ATOM 362 C PHE A 22 10.379 0.190 -1.276 1.00 0.00 C ATOM 363 O PHE A 22 10.782 -0.597 -0.421 1.00 0.00 O ATOM 364 CB PHE A 22 9.618 2.574 -1.313 1.00 0.00 C ATOM 365 CG PHE A 22 9.221 3.100 0.036 1.00 0.00 C ATOM 366 CD1 PHE A 22 10.126 3.810 0.810 1.00 0.00 C ATOM 367 CD2 PHE A 22 7.946 2.883 0.532 1.00 0.00 C ATOM 368 CE1 PHE A 22 9.764 4.294 2.053 1.00 0.00 C ATOM 369 CE2 PHE A 22 7.579 3.365 1.774 1.00 0.00 C ATOM 370 CZ PHE A 22 8.490 4.072 2.536 1.00 0.00 C ATOM 0 H PHE A 22 11.253 2.077 -3.280 1.00 0.00 H new ATOM 0 HA PHE A 22 11.386 1.829 -0.347 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.835 3.414 -1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.775 2.036 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.124 3.987 0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.230 2.331 -0.059 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.478 4.846 2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.581 3.189 2.149 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.206 4.450 3.507 1.00 0.00 H new ATOM 380 N VAL A 23 9.541 -0.164 -2.245 1.00 0.00 N ATOM 381 CA VAL A 23 9.031 -1.529 -2.361 1.00 0.00 C ATOM 382 C VAL A 23 10.162 -2.558 -2.379 1.00 0.00 C ATOM 383 O VAL A 23 9.937 -3.740 -2.120 1.00 0.00 O ATOM 384 CB VAL A 23 8.174 -1.699 -3.632 1.00 0.00 C ATOM 385 CG1 VAL A 23 9.009 -1.451 -4.880 1.00 0.00 C ATOM 386 CG2 VAL A 23 7.540 -3.082 -3.673 1.00 0.00 C ATOM 0 H VAL A 23 9.199 0.475 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 23 8.411 -1.704 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 23 7.374 -0.959 -3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.386 -1.576 -5.765 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.406 -0.436 -4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.834 -2.163 -4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.940 -3.180 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.322 -3.841 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.903 -3.216 -2.799 1.00 0.00 H new ATOM 396 N ASP A 24 11.374 -2.105 -2.694 1.00 0.00 N ATOM 397 CA ASP A 24 12.538 -2.986 -2.756 1.00 0.00 C ATOM 398 C ASP A 24 12.595 -3.947 -1.567 1.00 0.00 C ATOM 399 O ASP A 24 13.004 -5.098 -1.714 1.00 0.00 O ATOM 400 CB ASP A 24 13.823 -2.156 -2.815 1.00 0.00 C ATOM 401 CG ASP A 24 14.349 -2.008 -4.229 1.00 0.00 C ATOM 402 OD1 ASP A 24 13.562 -2.200 -5.178 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.550 -1.701 -4.386 1.00 0.00 O ATOM 0 H ASP A 24 11.576 -1.129 -2.911 1.00 0.00 H new ATOM 0 HA ASP A 24 12.445 -3.585 -3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.634 -1.168 -2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.585 -2.626 -2.194 1.00 0.00 H new ATOM 408 N TYR A 25 12.191 -3.474 -0.390 1.00 0.00 N ATOM 409 CA TYR A 25 12.211 -4.311 0.806 1.00 0.00 C ATOM 410 C TYR A 25 11.230 -5.471 0.676 1.00 0.00 C ATOM 411 O TYR A 25 11.482 -6.566 1.179 1.00 0.00 O ATOM 412 CB TYR A 25 11.897 -3.483 2.058 1.00 0.00 C ATOM 413 CG TYR A 25 10.472 -2.976 2.129 1.00 0.00 C ATOM 414 CD1 TYR A 25 9.412 -3.845 2.358 1.00 0.00 C ATOM 415 CD2 TYR A 25 10.189 -1.626 1.970 1.00 0.00 C ATOM 416 CE1 TYR A 25 8.110 -3.381 2.425 1.00 0.00 C ATOM 417 CE2 TYR A 25 8.893 -1.154 2.036 1.00 0.00 C ATOM 418 CZ TYR A 25 7.857 -2.035 2.264 1.00 0.00 C ATOM 419 OH TYR A 25 6.563 -1.569 2.332 1.00 0.00 O ATOM 0 H TYR A 25 11.849 -2.525 -0.240 1.00 0.00 H new ATOM 0 HA TYR A 25 13.215 -4.722 0.909 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.099 -4.090 2.941 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.576 -2.631 2.095 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.607 -4.899 2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.997 -0.932 1.791 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.297 -4.069 2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.692 -0.100 1.910 1.00 0.00 H new ATOM 0 HH TYR A 25 6.558 -0.598 2.199 1.00 0.00 H new ATOM 429 N LYS A 26 10.118 -5.229 -0.007 1.00 0.00 N ATOM 430 CA LYS A 26 9.110 -6.262 -0.208 1.00 0.00 C ATOM 431 C LYS A 26 9.615 -7.307 -1.194 1.00 0.00 C ATOM 432 O LYS A 26 9.256 -8.482 -1.111 1.00 0.00 O ATOM 433 CB LYS A 26 7.804 -5.645 -0.712 1.00 0.00 C ATOM 434 CG LYS A 26 6.604 -5.950 0.173 1.00 0.00 C ATOM 435 CD LYS A 26 5.429 -6.473 -0.639 1.00 0.00 C ATOM 436 CE LYS A 26 5.320 -7.986 -0.549 1.00 0.00 C ATOM 437 NZ LYS A 26 4.957 -8.437 0.823 1.00 0.00 N ATOM 0 H LYS A 26 9.892 -4.329 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 26 8.917 -6.748 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.927 -4.564 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.604 -6.011 -1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.884 -6.687 0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.306 -5.047 0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.506 -6.019 -0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.545 -6.177 -1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.570 -8.338 -1.257 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.269 -8.436 -0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.487 -9.301 1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.194 -7.691 1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.937 -8.634 0.865 1.00 0.00 H new ATOM 451 N ALA A 27 10.461 -6.872 -2.122 1.00 0.00 N ATOM 452 CA ALA A 27 11.027 -7.770 -3.119 1.00 0.00 C ATOM 453 C ALA A 27 12.074 -8.681 -2.489 1.00 0.00 C ATOM 454 O ALA A 27 12.314 -9.790 -2.966 1.00 0.00 O ATOM 455 CB ALA A 27 11.635 -6.974 -4.262 1.00 0.00 C ATOM 0 H ALA A 27 10.769 -5.903 -2.203 1.00 0.00 H new ATOM 0 HA ALA A 27 10.225 -8.393 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.054 -7.658 -4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.863 -6.363 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.424 -6.328 -3.876 1.00 0.00 H new ATOM 461 N GLY A 28 12.695 -8.206 -1.412 1.00 0.00 N ATOM 462 CA GLY A 28 13.708 -8.992 -0.736 1.00 0.00 C ATOM 463 C GLY A 28 13.418 -9.170 0.743 1.00 0.00 C ATOM 464 O GLY A 28 14.334 -9.387 1.537 1.00 0.00 O ATOM 0 H GLY A 28 12.514 -7.292 -0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.778 -9.971 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.678 -8.509 -0.857 1.00 0.00 H new ATOM 468 N LEU A 29 12.145 -9.080 1.117 1.00 0.00 N ATOM 469 CA LEU A 29 11.751 -9.236 2.513 1.00 0.00 C ATOM 470 C LEU A 29 12.109 -10.625 3.036 1.00 0.00 C ATOM 471 O LEU A 29 12.157 -10.848 4.247 1.00 0.00 O ATOM 472 CB LEU A 29 10.250 -8.976 2.680 1.00 0.00 C ATOM 473 CG LEU A 29 9.332 -10.119 2.239 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.062 -11.064 3.400 1.00 0.00 C ATOM 475 CD2 LEU A 29 8.028 -9.570 1.682 1.00 0.00 C ATOM 0 H LEU A 29 11.372 -8.901 0.476 1.00 0.00 H new ATOM 0 HA LEU A 29 12.302 -8.501 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.051 -8.757 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.988 -8.083 2.113 1.00 0.00 H new ATOM 0 HG LEU A 29 9.834 -10.679 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.408 -11.870 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.004 -11.483 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.581 -10.517 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.388 -10.396 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.522 -8.986 2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.239 -8.934 0.822 1.00 0.00 H new ATOM 487 N GLU A 30 12.360 -11.554 2.121 1.00 0.00 N ATOM 488 CA GLU A 30 12.714 -12.919 2.495 1.00 0.00 C ATOM 489 C GLU A 30 13.763 -13.491 1.549 1.00 0.00 C ATOM 490 O GLU A 30 13.705 -14.661 1.170 1.00 0.00 O ATOM 491 CB GLU A 30 11.470 -13.811 2.503 1.00 0.00 C ATOM 492 CG GLU A 30 11.372 -14.707 3.725 1.00 0.00 C ATOM 493 CD GLU A 30 10.769 -16.061 3.408 1.00 0.00 C ATOM 494 OE1 GLU A 30 11.532 -16.980 3.044 1.00 0.00 O ATOM 495 OE2 GLU A 30 9.533 -16.203 3.523 1.00 0.00 O ATOM 0 H GLU A 30 12.325 -11.388 1.115 1.00 0.00 H new ATOM 0 HA GLU A 30 13.137 -12.893 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.582 -13.182 2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.473 -14.432 1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.366 -14.847 4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.767 -14.213 4.486 1.00 0.00 H new ATOM 502 N LYS A 31 14.723 -12.655 1.174 1.00 0.00 N ATOM 503 CA LYS A 31 15.794 -13.065 0.272 1.00 0.00 C ATOM 504 C LYS A 31 15.226 -13.653 -1.012 1.00 0.00 C ATOM 505 O LYS A 31 15.714 -14.663 -1.520 1.00 0.00 O ATOM 506 CB LYS A 31 16.711 -14.082 0.957 1.00 0.00 C ATOM 507 CG LYS A 31 18.186 -13.867 0.660 1.00 0.00 C ATOM 508 CD LYS A 31 18.962 -15.171 0.719 1.00 0.00 C ATOM 509 CE LYS A 31 19.139 -15.777 -0.664 1.00 0.00 C ATOM 510 NZ LYS A 31 20.403 -15.327 -1.309 1.00 0.00 N ATOM 0 H LYS A 31 14.782 -11.684 1.482 1.00 0.00 H new ATOM 0 HA LYS A 31 16.378 -12.181 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 31 16.555 -14.032 2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 31 16.428 -15.086 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 31 18.298 -13.420 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 31 18.604 -13.161 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 31 19.939 -14.994 1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 31 18.439 -15.878 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 31 19.138 -16.864 -0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 31 18.292 -15.501 -1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 20.487 -15.762 -2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 20.394 -14.292 -1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 21.213 -15.613 -0.722 1.00 0.00 H new ATOM 524 N LYS A 32 14.188 -13.010 -1.527 1.00 0.00 N ATOM 525 CA LYS A 32 13.540 -13.461 -2.753 1.00 0.00 C ATOM 526 C LYS A 32 14.341 -13.035 -3.981 1.00 0.00 C ATOM 527 O LYS A 32 14.903 -11.941 -4.019 1.00 0.00 O ATOM 528 CB LYS A 32 12.115 -12.908 -2.835 1.00 0.00 C ATOM 529 CG LYS A 32 11.046 -13.989 -2.869 1.00 0.00 C ATOM 530 CD LYS A 32 9.792 -13.511 -3.581 1.00 0.00 C ATOM 531 CE LYS A 32 9.169 -14.616 -4.419 1.00 0.00 C ATOM 532 NZ LYS A 32 8.388 -14.073 -5.564 1.00 0.00 N ATOM 0 H LYS A 32 13.775 -12.173 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 32 13.496 -14.550 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.936 -12.258 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.024 -12.290 -3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.437 -14.873 -3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.796 -14.287 -1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.068 -13.158 -2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.037 -12.663 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.954 -15.273 -4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.517 -15.224 -3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.500 -14.606 -5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.172 -13.070 -5.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.945 -14.163 -6.438 1.00 0.00 H new ATOM 546 N LYS A 33 14.386 -13.908 -4.983 1.00 0.00 N ATOM 547 CA LYS A 33 15.118 -13.624 -6.213 1.00 0.00 C ATOM 548 C LYS A 33 14.167 -13.544 -7.403 1.00 0.00 C ATOM 549 O LYS A 33 13.599 -14.552 -7.827 1.00 0.00 O ATOM 550 CB LYS A 33 16.178 -14.700 -6.459 1.00 0.00 C ATOM 551 CG LYS A 33 17.601 -14.212 -6.245 1.00 0.00 C ATOM 552 CD LYS A 33 18.005 -13.191 -7.297 1.00 0.00 C ATOM 553 CE LYS A 33 19.443 -13.394 -7.750 1.00 0.00 C ATOM 554 NZ LYS A 33 19.545 -13.527 -9.230 1.00 0.00 N ATOM 0 H LYS A 33 13.924 -14.817 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 33 15.612 -12.659 -6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.988 -15.544 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.079 -15.069 -7.480 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.689 -13.768 -5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.286 -15.059 -6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.338 -13.269 -8.156 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.889 -12.185 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.050 -12.552 -7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.850 -14.287 -7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.540 -13.664 -9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.986 -14.346 -9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.180 -12.664 -9.682 1.00 0.00 H new ATOM 568 N LEU A 34 13.997 -12.339 -7.939 1.00 0.00 N ATOM 569 CA LEU A 34 13.112 -12.128 -9.081 1.00 0.00 C ATOM 570 C LEU A 34 13.885 -11.568 -10.272 1.00 0.00 C ATOM 571 O LEU A 34 14.892 -10.881 -10.103 1.00 0.00 O ATOM 572 CB LEU A 34 11.970 -11.175 -8.709 1.00 0.00 C ATOM 573 CG LEU A 34 11.568 -11.172 -7.231 1.00 0.00 C ATOM 574 CD1 LEU A 34 11.408 -12.594 -6.712 1.00 0.00 C ATOM 575 CD2 LEU A 34 12.592 -10.410 -6.401 1.00 0.00 C ATOM 0 H LEU A 34 14.459 -11.495 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 34 12.691 -13.094 -9.361 1.00 0.00 H new ATOM 0 HB2 LEU A 34 12.259 -10.162 -8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.095 -11.434 -9.305 1.00 0.00 H new ATOM 0 HG LEU A 34 10.606 -10.667 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.122 -12.568 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.635 -13.106 -7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.352 -13.128 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.290 -10.418 -5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.568 -10.885 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.652 -9.380 -6.753 1.00 0.00 H new ATOM 587 N SER A 35 13.406 -11.868 -11.475 1.00 0.00 N ATOM 588 CA SER A 35 14.048 -11.394 -12.695 1.00 0.00 C ATOM 589 C SER A 35 13.318 -10.176 -13.256 1.00 0.00 C ATOM 590 O SER A 35 12.460 -9.595 -12.591 1.00 0.00 O ATOM 591 CB SER A 35 14.087 -12.509 -13.742 1.00 0.00 C ATOM 592 OG SER A 35 15.368 -12.605 -14.341 1.00 0.00 O ATOM 0 H SER A 35 12.574 -12.438 -11.631 1.00 0.00 H new ATOM 0 HA SER A 35 15.069 -11.101 -12.449 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.829 -13.459 -13.275 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.337 -12.317 -14.510 1.00 0.00 H new ATOM 0 HG SER A 35 15.366 -13.326 -15.005 1.00 0.00 H new ATOM 598 N ASP A 36 13.664 -9.795 -14.482 1.00 0.00 N ATOM 599 CA ASP A 36 13.038 -8.648 -15.128 1.00 0.00 C ATOM 600 C ASP A 36 11.563 -8.922 -15.408 1.00 0.00 C ATOM 601 O ASP A 36 11.184 -9.261 -16.529 1.00 0.00 O ATOM 602 CB ASP A 36 13.769 -8.308 -16.430 1.00 0.00 C ATOM 603 CG ASP A 36 14.120 -6.836 -16.527 1.00 0.00 C ATOM 604 OD1 ASP A 36 13.190 -6.003 -16.547 1.00 0.00 O ATOM 605 OD2 ASP A 36 15.327 -6.516 -16.581 1.00 0.00 O ATOM 0 H ASP A 36 14.373 -10.263 -15.046 1.00 0.00 H new ATOM 0 HA ASP A 36 13.106 -7.796 -14.452 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.681 -8.902 -16.498 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.144 -8.587 -17.278 1.00 0.00 H new ATOM 610 N ASP A 37 10.735 -8.773 -14.379 1.00 0.00 N ATOM 611 CA ASP A 37 9.301 -9.005 -14.510 1.00 0.00 C ATOM 612 C ASP A 37 8.553 -8.536 -13.263 1.00 0.00 C ATOM 613 O ASP A 37 7.448 -8.003 -13.356 1.00 0.00 O ATOM 614 CB ASP A 37 9.024 -10.491 -14.759 1.00 0.00 C ATOM 615 CG ASP A 37 8.598 -10.768 -16.188 1.00 0.00 C ATOM 616 OD1 ASP A 37 8.828 -9.899 -17.056 1.00 0.00 O ATOM 617 OD2 ASP A 37 8.035 -11.854 -16.440 1.00 0.00 O ATOM 0 H ASP A 37 11.033 -8.492 -13.445 1.00 0.00 H new ATOM 0 HA ASP A 37 8.943 -8.427 -15.362 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.920 -11.068 -14.532 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.244 -10.832 -14.078 1.00 0.00 H new ATOM 622 N ASP A 38 9.163 -8.742 -12.098 1.00 0.00 N ATOM 623 CA ASP A 38 8.557 -8.344 -10.830 1.00 0.00 C ATOM 624 C ASP A 38 8.049 -6.906 -10.882 1.00 0.00 C ATOM 625 O ASP A 38 8.807 -5.961 -10.660 1.00 0.00 O ATOM 626 CB ASP A 38 9.567 -8.497 -9.692 1.00 0.00 C ATOM 627 CG ASP A 38 8.904 -8.504 -8.328 1.00 0.00 C ATOM 628 OD1 ASP A 38 7.851 -9.160 -8.182 1.00 0.00 O ATOM 629 OD2 ASP A 38 9.438 -7.854 -7.405 1.00 0.00 O ATOM 0 H ASP A 38 10.078 -9.183 -12.006 1.00 0.00 H new ATOM 0 HA ASP A 38 7.704 -8.998 -10.649 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.125 -9.424 -9.827 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.289 -7.681 -9.738 1.00 0.00 H new ATOM 634 N GLU A 39 6.762 -6.750 -11.173 1.00 0.00 N ATOM 635 CA GLU A 39 6.149 -5.429 -11.249 1.00 0.00 C ATOM 636 C GLU A 39 5.215 -5.201 -10.065 1.00 0.00 C ATOM 637 O GLU A 39 4.314 -6.000 -9.812 1.00 0.00 O ATOM 638 CB GLU A 39 5.378 -5.275 -12.561 1.00 0.00 C ATOM 639 CG GLU A 39 4.256 -6.286 -12.730 1.00 0.00 C ATOM 640 CD GLU A 39 4.258 -6.939 -14.098 1.00 0.00 C ATOM 641 OE1 GLU A 39 5.352 -7.299 -14.583 1.00 0.00 O ATOM 642 OE2 GLU A 39 3.167 -7.091 -14.685 1.00 0.00 O ATOM 0 H GLU A 39 6.123 -7.523 -11.360 1.00 0.00 H new ATOM 0 HA GLU A 39 6.942 -4.682 -11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.960 -4.269 -12.611 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.073 -5.373 -13.395 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.348 -7.056 -11.964 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.299 -5.790 -12.570 1.00 0.00 H new ATOM 649 N ILE A 40 5.437 -4.110 -9.340 1.00 0.00 N ATOM 650 CA ILE A 40 4.615 -3.785 -8.179 1.00 0.00 C ATOM 651 C ILE A 40 3.707 -2.593 -8.462 1.00 0.00 C ATOM 652 O ILE A 40 3.924 -1.849 -9.419 1.00 0.00 O ATOM 653 CB ILE A 40 5.477 -3.475 -6.936 1.00 0.00 C ATOM 654 CG1 ILE A 40 6.758 -4.315 -6.944 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.683 -3.726 -5.662 1.00 0.00 C ATOM 656 CD1 ILE A 40 6.502 -5.805 -7.007 1.00 0.00 C ATOM 0 H ILE A 40 6.178 -3.437 -9.535 1.00 0.00 H new ATOM 0 HA ILE A 40 4.005 -4.665 -7.975 1.00 0.00 H new ATOM 0 HB ILE A 40 5.758 -2.422 -6.967 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.369 -4.023 -7.798 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.336 -4.091 -6.047 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.305 -3.503 -4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.801 -3.085 -5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.373 -4.770 -5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.453 -6.338 -7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.917 -6.111 -6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.951 -6.041 -7.918 1.00 0.00 H new ATOM 668 N ALA A 41 2.690 -2.418 -7.624 1.00 0.00 N ATOM 669 CA ALA A 41 1.748 -1.317 -7.783 1.00 0.00 C ATOM 670 C ALA A 41 1.448 -0.655 -6.442 1.00 0.00 C ATOM 671 O ALA A 41 0.940 -1.298 -5.522 1.00 0.00 O ATOM 672 CB ALA A 41 0.464 -1.812 -8.434 1.00 0.00 C ATOM 0 H ALA A 41 2.498 -3.025 -6.827 1.00 0.00 H new ATOM 0 HA ALA A 41 2.204 -0.569 -8.432 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.231 -0.980 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.691 -2.231 -9.414 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.011 -2.580 -7.807 1.00 0.00 H new ATOM 678 N ILE A 42 1.765 0.631 -6.336 1.00 0.00 N ATOM 679 CA ILE A 42 1.530 1.377 -5.106 1.00 0.00 C ATOM 680 C ILE A 42 0.290 2.258 -5.223 1.00 0.00 C ATOM 681 O ILE A 42 0.178 3.070 -6.142 1.00 0.00 O ATOM 682 CB ILE A 42 2.740 2.260 -4.742 1.00 0.00 C ATOM 683 CG1 ILE A 42 4.031 1.441 -4.796 1.00 0.00 C ATOM 684 CG2 ILE A 42 2.553 2.873 -3.362 1.00 0.00 C ATOM 685 CD1 ILE A 42 5.269 2.239 -4.447 1.00 0.00 C ATOM 0 H ILE A 42 2.185 1.178 -7.087 1.00 0.00 H new ATOM 0 HA ILE A 42 1.376 0.641 -4.317 1.00 0.00 H new ATOM 0 HB ILE A 42 2.813 3.068 -5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.946 0.599 -4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.147 1.026 -5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.416 3.494 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.652 3.486 -3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.457 2.079 -2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.146 1.594 -4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.379 3.066 -5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.175 2.632 -3.435 1.00 0.00 H new ATOM 697 N ILE A 43 -0.636 2.095 -4.283 1.00 0.00 N ATOM 698 CA ILE A 43 -1.867 2.878 -4.277 1.00 0.00 C ATOM 699 C ILE A 43 -2.095 3.526 -2.915 1.00 0.00 C ATOM 700 O ILE A 43 -1.888 2.898 -1.876 1.00 0.00 O ATOM 701 CB ILE A 43 -3.089 2.008 -4.633 1.00 0.00 C ATOM 702 CG1 ILE A 43 -2.834 1.245 -5.936 1.00 0.00 C ATOM 703 CG2 ILE A 43 -4.340 2.869 -4.749 1.00 0.00 C ATOM 704 CD1 ILE A 43 -3.994 0.371 -6.364 1.00 0.00 C ATOM 0 H ILE A 43 -0.557 1.428 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.754 3.655 -5.033 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.247 1.283 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.617 1.960 -6.729 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.947 0.623 -5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.193 2.239 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.526 3.370 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.197 3.615 -5.530 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.742 -0.138 -7.294 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.198 -0.368 -5.589 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.878 0.989 -6.517 1.00 0.00 H new ATOM 716 N SER A 44 -2.521 4.784 -2.927 1.00 0.00 N ATOM 717 CA SER A 44 -2.777 5.515 -1.691 1.00 0.00 C ATOM 718 C SER A 44 -4.061 6.330 -1.793 1.00 0.00 C ATOM 719 O SER A 44 -4.253 7.089 -2.742 1.00 0.00 O ATOM 720 CB SER A 44 -1.600 6.438 -1.367 1.00 0.00 C ATOM 721 OG SER A 44 -0.403 5.971 -1.966 1.00 0.00 O ATOM 0 H SER A 44 -2.696 5.319 -3.778 1.00 0.00 H new ATOM 0 HA SER A 44 -2.894 4.787 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.817 7.446 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.469 6.500 -0.287 1.00 0.00 H new ATOM 0 HG SER A 44 0.333 6.580 -1.745 1.00 0.00 H new ATOM 727 N ILE A 45 -4.933 6.171 -0.803 1.00 0.00 N ATOM 728 CA ILE A 45 -6.200 6.891 -0.770 1.00 0.00 C ATOM 729 C ILE A 45 -6.586 7.230 0.665 1.00 0.00 C ATOM 730 O ILE A 45 -7.495 6.626 1.235 1.00 0.00 O ATOM 731 CB ILE A 45 -7.334 6.075 -1.425 1.00 0.00 C ATOM 732 CG1 ILE A 45 -6.947 5.663 -2.847 1.00 0.00 C ATOM 733 CG2 ILE A 45 -8.628 6.877 -1.439 1.00 0.00 C ATOM 734 CD1 ILE A 45 -6.306 4.296 -2.928 1.00 0.00 C ATOM 0 H ILE A 45 -4.784 5.547 -0.010 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.063 7.811 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.492 5.172 -0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.838 5.675 -3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.259 6.403 -3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.417 6.286 -1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.914 7.124 -0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.480 7.796 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.059 4.071 -3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.397 4.284 -2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.000 3.546 -2.550 1.00 0.00 H new ATOM 746 N LYS A 46 -5.883 8.196 1.248 1.00 0.00 N ATOM 747 CA LYS A 46 -6.143 8.612 2.621 1.00 0.00 C ATOM 748 C LYS A 46 -5.798 7.490 3.597 1.00 0.00 C ATOM 749 O LYS A 46 -4.722 7.489 4.194 1.00 0.00 O ATOM 750 CB LYS A 46 -7.607 9.035 2.787 1.00 0.00 C ATOM 751 CG LYS A 46 -7.775 10.493 3.187 1.00 0.00 C ATOM 752 CD LYS A 46 -8.717 10.643 4.371 1.00 0.00 C ATOM 753 CE LYS A 46 -10.169 10.476 3.954 1.00 0.00 C ATOM 754 NZ LYS A 46 -10.469 9.080 3.532 1.00 0.00 N ATOM 0 H LYS A 46 -5.128 8.706 0.790 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.508 9.470 2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.136 8.860 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.076 8.403 3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.803 10.916 3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.160 11.061 2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.468 9.902 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.579 11.624 4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.819 10.752 4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.392 11.159 3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.495 8.915 3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.142 8.935 2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.980 8.414 4.163 1.00 0.00 H new ATOM 768 N GLY A 47 -6.714 6.533 3.751 1.00 0.00 N ATOM 769 CA GLY A 47 -6.490 5.411 4.653 1.00 0.00 C ATOM 770 C GLY A 47 -5.841 5.825 5.961 1.00 0.00 C ATOM 771 O GLY A 47 -4.989 5.113 6.492 1.00 0.00 O ATOM 0 H GLY A 47 -7.611 6.515 3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.443 4.925 4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.859 4.673 4.157 1.00 0.00 H new ATOM 775 N THR A 48 -6.238 6.985 6.476 1.00 0.00 N ATOM 776 CA THR A 48 -5.683 7.496 7.723 1.00 0.00 C ATOM 777 C THR A 48 -4.190 7.768 7.572 1.00 0.00 C ATOM 778 O THR A 48 -3.393 7.434 8.450 1.00 0.00 O ATOM 779 CB THR A 48 -5.922 6.507 8.865 1.00 0.00 C ATOM 780 OG1 THR A 48 -7.085 5.735 8.624 1.00 0.00 O ATOM 781 CG2 THR A 48 -6.086 7.177 10.212 1.00 0.00 C ATOM 0 H THR A 48 -6.941 7.588 6.049 1.00 0.00 H new ATOM 0 HA THR A 48 -6.188 8.432 7.961 1.00 0.00 H new ATOM 0 HB THR A 48 -5.031 5.880 8.896 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.220 5.107 9.364 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.252 6.419 10.978 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.184 7.741 10.450 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.940 7.854 10.180 1.00 0.00 H new ATOM 789 N GLN A 49 -3.819 8.375 6.447 1.00 0.00 N ATOM 790 CA GLN A 49 -2.423 8.694 6.169 1.00 0.00 C ATOM 791 C GLN A 49 -1.612 7.422 5.935 1.00 0.00 C ATOM 792 O GLN A 49 -0.729 7.081 6.723 1.00 0.00 O ATOM 793 CB GLN A 49 -1.816 9.497 7.323 1.00 0.00 C ATOM 794 CG GLN A 49 -0.520 10.200 6.959 1.00 0.00 C ATOM 795 CD GLN A 49 -0.116 11.244 7.980 1.00 0.00 C ATOM 796 OE1 GLN A 49 0.286 12.353 7.626 1.00 0.00 O ATOM 797 NE2 GLN A 49 -0.222 10.895 9.257 1.00 0.00 N ATOM 0 H GLN A 49 -4.468 8.656 5.712 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.389 9.299 5.263 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.540 10.239 7.659 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.633 8.828 8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.276 9.461 6.866 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.630 10.674 5.984 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.560 9.965 9.505 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.034 11.557 9.990 1.00 0.00 H new ATOM 806 N SER A 50 -1.917 6.722 4.846 1.00 0.00 N ATOM 807 CA SER A 50 -1.215 5.489 4.510 1.00 0.00 C ATOM 808 C SER A 50 -1.405 5.139 3.039 1.00 0.00 C ATOM 809 O SER A 50 -1.996 5.905 2.278 1.00 0.00 O ATOM 810 CB SER A 50 -1.715 4.338 5.388 1.00 0.00 C ATOM 811 OG SER A 50 -3.001 3.906 4.979 1.00 0.00 O ATOM 0 H SER A 50 -2.645 6.988 4.183 1.00 0.00 H new ATOM 0 HA SER A 50 -0.152 5.644 4.694 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.014 3.505 5.335 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.750 4.659 6.429 1.00 0.00 H new ATOM 0 HG SER A 50 -3.684 4.357 5.518 1.00 0.00 H new ATOM 817 N ASN A 51 -0.902 3.974 2.644 1.00 0.00 N ATOM 818 CA ASN A 51 -1.018 3.519 1.264 1.00 0.00 C ATOM 819 C ASN A 51 -0.974 1.997 1.190 1.00 0.00 C ATOM 820 O ASN A 51 -0.266 1.348 1.960 1.00 0.00 O ATOM 821 CB ASN A 51 0.102 4.116 0.409 1.00 0.00 C ATOM 822 CG ASN A 51 1.468 3.961 1.050 1.00 0.00 C ATOM 823 OD1 ASN A 51 2.066 2.886 1.012 1.00 0.00 O ATOM 824 ND2 ASN A 51 1.967 5.038 1.646 1.00 0.00 N ATOM 0 H ASN A 51 -0.410 3.328 3.261 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.979 3.858 0.876 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.106 3.633 -0.568 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.099 5.174 0.240 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.881 4.994 2.096 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.436 5.909 1.653 1.00 0.00 H new ATOM 831 N HIS A 52 -1.738 1.433 0.261 1.00 0.00 N ATOM 832 CA HIS A 52 -1.788 -0.013 0.088 1.00 0.00 C ATOM 833 C HIS A 52 -0.743 -0.475 -0.921 1.00 0.00 C ATOM 834 O HIS A 52 -0.258 0.312 -1.734 1.00 0.00 O ATOM 835 CB HIS A 52 -3.181 -0.444 -0.375 1.00 0.00 C ATOM 836 CG HIS A 52 -4.283 0.037 0.517 1.00 0.00 C ATOM 837 ND1 HIS A 52 -4.762 -0.692 1.584 1.00 0.00 N ATOM 838 CD2 HIS A 52 -5.003 1.185 0.495 1.00 0.00 C ATOM 839 CE1 HIS A 52 -5.729 -0.016 2.179 1.00 0.00 C ATOM 840 NE2 HIS A 52 -5.893 1.127 1.539 1.00 0.00 N ATOM 0 H HIS A 52 -2.331 1.956 -0.384 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.571 -0.477 1.050 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.352 -0.069 -1.384 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.217 -1.532 -0.429 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.897 1.995 -0.212 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.290 -0.343 3.042 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -6.571 1.850 1.781 1.00 0.00 H new ATOM 849 N VAL A 53 -0.403 -1.758 -0.865 1.00 0.00 N ATOM 850 CA VAL A 53 0.583 -2.327 -1.775 1.00 0.00 C ATOM 851 C VAL A 53 0.131 -3.689 -2.286 1.00 0.00 C ATOM 852 O VAL A 53 -0.450 -4.481 -1.544 1.00 0.00 O ATOM 853 CB VAL A 53 1.959 -2.476 -1.098 1.00 0.00 C ATOM 854 CG1 VAL A 53 3.015 -2.870 -2.118 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.348 -1.187 -0.390 1.00 0.00 C ATOM 0 H VAL A 53 -0.796 -2.423 -0.199 1.00 0.00 H new ATOM 0 HA VAL A 53 0.675 -1.636 -2.613 1.00 0.00 H new ATOM 0 HB VAL A 53 1.893 -3.268 -0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.980 -2.971 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.742 -3.820 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.081 -2.102 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.322 -1.311 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.397 -0.374 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.604 -0.951 0.370 1.00 0.00 H new ATOM 865 N LEU A 54 0.400 -3.954 -3.560 1.00 0.00 N ATOM 866 CA LEU A 54 0.020 -5.220 -4.174 1.00 0.00 C ATOM 867 C LEU A 54 1.141 -5.751 -5.060 1.00 0.00 C ATOM 868 O LEU A 54 1.686 -5.025 -5.892 1.00 0.00 O ATOM 869 CB LEU A 54 -1.258 -5.048 -4.995 1.00 0.00 C ATOM 870 CG LEU A 54 -2.169 -6.275 -5.038 1.00 0.00 C ATOM 871 CD1 LEU A 54 -1.506 -7.404 -5.810 1.00 0.00 C ATOM 872 CD2 LEU A 54 -2.522 -6.725 -3.628 1.00 0.00 C ATOM 0 H LEU A 54 0.880 -3.308 -4.187 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.163 -5.942 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.823 -4.209 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.983 -4.782 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.091 -6.003 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.169 -8.269 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.304 -7.078 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.569 -7.676 -5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.171 -7.599 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.610 -6.980 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.038 -5.919 -3.107 1.00 0.00 H new ATOM 884 N PHE A 55 1.483 -7.022 -4.875 1.00 0.00 N ATOM 885 CA PHE A 55 2.540 -7.651 -5.657 1.00 0.00 C ATOM 886 C PHE A 55 1.966 -8.346 -6.888 1.00 0.00 C ATOM 887 O PHE A 55 1.248 -9.340 -6.774 1.00 0.00 O ATOM 888 CB PHE A 55 3.307 -8.658 -4.796 1.00 0.00 C ATOM 889 CG PHE A 55 4.793 -8.441 -4.793 1.00 0.00 C ATOM 890 CD1 PHE A 55 5.337 -7.270 -4.291 1.00 0.00 C ATOM 891 CD2 PHE A 55 5.648 -9.411 -5.292 1.00 0.00 C ATOM 892 CE1 PHE A 55 6.705 -7.069 -4.286 1.00 0.00 C ATOM 893 CE2 PHE A 55 7.017 -9.217 -5.290 1.00 0.00 C ATOM 894 CZ PHE A 55 7.545 -8.044 -4.787 1.00 0.00 C ATOM 0 H PHE A 55 1.043 -7.636 -4.190 1.00 0.00 H new ATOM 0 HA PHE A 55 3.226 -6.872 -5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.938 -8.602 -3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.096 -9.665 -5.156 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.684 -6.504 -3.899 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.240 -10.330 -5.687 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.116 -6.152 -3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.672 -9.981 -5.681 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.614 -7.889 -4.785 1.00 0.00 H new ATOM 904 N LEU A 56 2.285 -7.817 -8.065 1.00 0.00 N ATOM 905 CA LEU A 56 1.799 -8.386 -9.316 1.00 0.00 C ATOM 906 C LEU A 56 2.783 -9.418 -9.861 1.00 0.00 C ATOM 907 O LEU A 56 3.650 -9.096 -10.674 1.00 0.00 O ATOM 908 CB LEU A 56 1.574 -7.281 -10.350 1.00 0.00 C ATOM 909 CG LEU A 56 0.892 -6.020 -9.813 1.00 0.00 C ATOM 910 CD1 LEU A 56 1.472 -4.777 -10.470 1.00 0.00 C ATOM 911 CD2 LEU A 56 -0.612 -6.092 -10.035 1.00 0.00 C ATOM 0 H LEU A 56 2.878 -6.995 -8.178 1.00 0.00 H new ATOM 0 HA LEU A 56 0.850 -8.884 -9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.538 -7.001 -10.776 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.971 -7.683 -11.164 1.00 0.00 H new ATOM 0 HG LEU A 56 1.078 -5.958 -8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.974 -3.891 -10.075 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.540 -4.718 -10.258 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.318 -4.830 -11.548 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.081 -5.188 -9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.819 -6.179 -11.102 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.015 -6.961 -9.515 1.00 0.00 H new ATOM 923 N SER A 57 2.644 -10.658 -9.403 1.00 0.00 N ATOM 924 CA SER A 57 3.523 -11.737 -9.840 1.00 0.00 C ATOM 925 C SER A 57 3.165 -12.196 -11.251 1.00 0.00 C ATOM 926 O SER A 57 4.026 -12.647 -12.004 1.00 0.00 O ATOM 927 CB SER A 57 3.435 -12.917 -8.871 1.00 0.00 C ATOM 928 OG SER A 57 4.703 -13.522 -8.688 1.00 0.00 O ATOM 0 H SER A 57 1.932 -10.941 -8.730 1.00 0.00 H new ATOM 0 HA SER A 57 4.545 -11.357 -9.850 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.050 -12.575 -7.910 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.729 -13.654 -9.254 1.00 0.00 H new ATOM 0 HG SER A 57 4.620 -14.272 -8.063 1.00 0.00 H new ATOM 934 N SER A 58 1.888 -12.077 -11.601 1.00 0.00 N ATOM 935 CA SER A 58 1.419 -12.481 -12.921 1.00 0.00 C ATOM 936 C SER A 58 0.260 -11.602 -13.380 1.00 0.00 C ATOM 937 O SER A 58 -0.899 -11.871 -13.063 1.00 0.00 O ATOM 938 CB SER A 58 0.987 -13.948 -12.905 1.00 0.00 C ATOM 939 OG SER A 58 1.742 -14.693 -11.964 1.00 0.00 O ATOM 0 H SER A 58 1.161 -11.705 -10.990 1.00 0.00 H new ATOM 0 HA SER A 58 2.243 -12.360 -13.624 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.073 -14.015 -12.660 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.113 -14.378 -13.899 1.00 0.00 H new ATOM 0 HG SER A 58 1.445 -15.627 -11.972 1.00 0.00 H new ATOM 945 N TYR A 59 0.582 -10.551 -14.127 1.00 0.00 N ATOM 946 CA TYR A 59 -0.432 -9.632 -14.630 1.00 0.00 C ATOM 947 C TYR A 59 -0.681 -9.853 -16.118 1.00 0.00 C ATOM 948 O TYR A 59 -0.008 -9.265 -16.964 1.00 0.00 O ATOM 949 CB TYR A 59 -0.003 -8.184 -14.385 1.00 0.00 C ATOM 950 CG TYR A 59 -1.163 -7.219 -14.285 1.00 0.00 C ATOM 951 CD1 TYR A 59 -2.135 -7.370 -13.304 1.00 0.00 C ATOM 952 CD2 TYR A 59 -1.285 -6.156 -15.172 1.00 0.00 C ATOM 953 CE1 TYR A 59 -3.196 -6.490 -13.211 1.00 0.00 C ATOM 954 CE2 TYR A 59 -2.344 -5.272 -15.085 1.00 0.00 C ATOM 955 CZ TYR A 59 -3.296 -5.444 -14.103 1.00 0.00 C ATOM 956 OH TYR A 59 -4.351 -4.565 -14.012 1.00 0.00 O ATOM 0 H TYR A 59 1.537 -10.315 -14.397 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.360 -9.827 -14.092 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.579 -8.137 -13.464 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.655 -7.866 -15.194 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.060 -8.188 -12.603 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.540 -6.018 -15.942 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.944 -6.621 -12.443 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.425 -4.451 -15.782 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.074 -4.974 -13.492 1.00 0.00 H new ATOM 966 N ASN A 60 -1.653 -10.704 -16.430 1.00 0.00 N ATOM 967 CA ASN A 60 -1.991 -11.001 -17.817 1.00 0.00 C ATOM 968 C ASN A 60 -3.463 -10.708 -18.090 1.00 0.00 C ATOM 969 O ASN A 60 -4.188 -10.246 -17.209 1.00 0.00 O ATOM 970 CB ASN A 60 -1.682 -12.465 -18.137 1.00 0.00 C ATOM 971 CG ASN A 60 -2.224 -13.416 -17.088 1.00 0.00 C ATOM 972 OD1 ASN A 60 -3.542 -13.586 -17.068 1.00 0.00 O flip ATOM 973 ND2 ASN A 60 -1.469 -13.992 -16.305 1.00 0.00 N flip ATOM 0 H ASN A 60 -2.220 -11.200 -15.742 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.385 -10.361 -18.459 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.108 -12.719 -19.108 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.603 -12.596 -18.218 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.463 -13.832 -16.356 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.849 -14.629 -15.605 1.00 0.00 H new ATOM 980 N SER A 61 -3.898 -10.979 -19.316 1.00 0.00 N ATOM 981 CA SER A 61 -5.283 -10.744 -19.707 1.00 0.00 C ATOM 982 C SER A 61 -5.644 -9.268 -19.572 1.00 0.00 C ATOM 983 O SER A 61 -4.809 -8.447 -19.192 1.00 0.00 O ATOM 984 CB SER A 61 -6.228 -11.597 -18.856 1.00 0.00 C ATOM 985 OG SER A 61 -6.521 -10.963 -17.622 1.00 0.00 O ATOM 0 H SER A 61 -3.311 -11.362 -20.057 1.00 0.00 H new ATOM 0 HA SER A 61 -5.393 -11.030 -20.753 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.153 -11.776 -19.404 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.774 -12.570 -18.669 1.00 0.00 H new ATOM 0 HG SER A 61 -5.700 -10.882 -17.093 1.00 0.00 H new ATOM 991 N VAL A 62 -6.892 -8.939 -19.885 1.00 0.00 N ATOM 992 CA VAL A 62 -7.364 -7.562 -19.800 1.00 0.00 C ATOM 993 C VAL A 62 -8.834 -7.507 -19.395 1.00 0.00 C ATOM 994 O VAL A 62 -9.477 -8.541 -19.213 1.00 0.00 O ATOM 995 CB VAL A 62 -7.187 -6.824 -21.140 1.00 0.00 C ATOM 996 CG1 VAL A 62 -5.725 -6.479 -21.372 1.00 0.00 C ATOM 997 CG2 VAL A 62 -7.733 -7.662 -22.285 1.00 0.00 C ATOM 0 H VAL A 62 -7.595 -9.607 -20.200 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.761 -7.069 -19.038 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.752 -5.893 -21.099 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.621 -5.958 -22.324 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.370 -5.837 -20.566 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.134 -7.395 -21.393 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.600 -7.125 -23.224 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.197 -8.610 -22.330 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.794 -7.852 -22.123 1.00 0.00 H new ATOM 1007 N ASP A 63 -9.360 -6.292 -19.261 1.00 0.00 N ATOM 1008 CA ASP A 63 -10.758 -6.092 -18.882 1.00 0.00 C ATOM 1009 C ASP A 63 -10.982 -6.377 -17.398 1.00 0.00 C ATOM 1010 O ASP A 63 -11.459 -5.516 -16.658 1.00 0.00 O ATOM 1011 CB ASP A 63 -11.677 -6.981 -19.725 1.00 0.00 C ATOM 1012 CG ASP A 63 -13.109 -6.483 -19.741 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -13.564 -5.949 -18.707 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -13.775 -6.626 -20.787 1.00 0.00 O ATOM 0 H ASP A 63 -8.838 -5.428 -19.410 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.000 -5.046 -19.069 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.299 -7.024 -20.746 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.653 -7.998 -19.333 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.639 -7.588 -16.967 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.810 -7.979 -15.573 1.00 0.00 C ATOM 1021 C GLU A 64 -9.667 -7.451 -14.715 1.00 0.00 C ATOM 1022 O GLU A 64 -9.879 -6.998 -13.590 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.891 -9.502 -15.457 1.00 0.00 C ATOM 1024 CG GLU A 64 -11.935 -9.982 -14.461 1.00 0.00 C ATOM 1025 CD GLU A 64 -12.920 -10.959 -15.072 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -13.247 -10.804 -16.267 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -13.364 -11.880 -14.355 1.00 0.00 O ATOM 0 H GLU A 64 -10.242 -8.314 -17.563 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.741 -7.544 -15.210 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.117 -9.921 -16.438 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.915 -9.888 -15.162 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.435 -10.457 -13.617 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.478 -9.123 -14.068 1.00 0.00 H new ATOM 1034 N ILE A 65 -8.455 -7.513 -15.252 1.00 0.00 N ATOM 1035 CA ILE A 65 -7.279 -7.041 -14.535 1.00 0.00 C ATOM 1036 C ILE A 65 -7.389 -5.553 -14.220 1.00 0.00 C ATOM 1037 O ILE A 65 -6.887 -5.086 -13.198 1.00 0.00 O ATOM 1038 CB ILE A 65 -5.992 -7.289 -15.345 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -6.100 -6.646 -16.729 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -5.722 -8.781 -15.466 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -5.457 -5.280 -16.815 1.00 0.00 C ATOM 0 H ILE A 65 -8.261 -7.886 -16.182 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.228 -7.604 -13.603 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.155 -6.830 -14.818 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.635 -7.304 -17.463 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.152 -6.560 -16.999 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.810 -8.940 -16.041 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.604 -9.211 -14.471 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.559 -9.262 -15.973 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.573 -4.886 -17.825 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.938 -4.606 -16.106 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.396 -5.361 -16.577 1.00 0.00 H new ATOM 1053 N ARG A 66 -8.052 -4.815 -15.104 1.00 0.00 N ATOM 1054 CA ARG A 66 -8.232 -3.379 -14.920 1.00 0.00 C ATOM 1055 C ARG A 66 -9.297 -3.092 -13.866 1.00 0.00 C ATOM 1056 O ARG A 66 -9.120 -2.225 -13.011 1.00 0.00 O ATOM 1057 CB ARG A 66 -8.621 -2.720 -16.244 1.00 0.00 C ATOM 1058 CG ARG A 66 -8.074 -1.312 -16.406 1.00 0.00 C ATOM 1059 CD ARG A 66 -8.476 -0.708 -17.742 1.00 0.00 C ATOM 1060 NE ARG A 66 -9.829 -0.159 -17.708 1.00 0.00 N ATOM 1061 CZ ARG A 66 -10.470 0.300 -18.781 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -9.884 0.278 -19.971 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -11.700 0.781 -18.663 1.00 0.00 N ATOM 0 H ARG A 66 -8.474 -5.187 -15.955 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.285 -2.962 -14.576 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.261 -3.337 -17.067 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.708 -2.690 -16.320 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.441 -0.682 -15.596 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.987 -1.332 -16.327 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.772 0.079 -18.011 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.413 -1.470 -18.518 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.311 -0.125 -16.810 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.938 -0.092 -20.067 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.379 0.631 -20.790 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.155 0.799 -17.750 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.191 1.133 -19.485 1.00 0.00 H new ATOM 1077 N LYS A 67 -10.402 -3.826 -13.934 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.495 -3.650 -12.985 1.00 0.00 C ATOM 1079 C LYS A 67 -11.137 -4.241 -11.626 1.00 0.00 C ATOM 1080 O LYS A 67 -11.492 -3.688 -10.584 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.773 -4.300 -13.521 1.00 0.00 C ATOM 1082 CG LYS A 67 -13.674 -3.336 -14.274 1.00 0.00 C ATOM 1083 CD LYS A 67 -15.144 -3.652 -14.048 1.00 0.00 C ATOM 1084 CE LYS A 67 -15.631 -4.740 -14.992 1.00 0.00 C ATOM 1085 NZ LYS A 67 -17.007 -5.197 -14.649 1.00 0.00 N ATOM 0 H LYS A 67 -10.565 -4.548 -14.636 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.666 -2.581 -12.859 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.503 -5.123 -14.182 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.330 -4.729 -12.688 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.467 -2.316 -13.951 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.450 -3.385 -15.340 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.295 -3.970 -13.016 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.738 -2.750 -14.194 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.617 -4.366 -16.016 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.947 -5.587 -14.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.303 -5.939 -15.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.015 -5.578 -13.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.665 -4.394 -14.711 1.00 0.00 H new ATOM 1099 N GLU A 68 -10.430 -5.365 -11.642 1.00 0.00 N ATOM 1100 CA GLU A 68 -10.021 -6.029 -10.411 1.00 0.00 C ATOM 1101 C GLU A 68 -9.136 -5.115 -9.571 1.00 0.00 C ATOM 1102 O GLU A 68 -9.267 -5.059 -8.348 1.00 0.00 O ATOM 1103 CB GLU A 68 -9.277 -7.328 -10.726 1.00 0.00 C ATOM 1104 CG GLU A 68 -8.971 -8.168 -9.498 1.00 0.00 C ATOM 1105 CD GLU A 68 -8.907 -9.652 -9.807 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -7.937 -10.079 -10.468 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -9.826 -10.386 -9.387 1.00 0.00 O ATOM 0 H GLU A 68 -10.128 -5.836 -12.495 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.919 -6.264 -9.840 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.874 -7.919 -11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.343 -7.088 -11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.020 -7.848 -9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.736 -7.991 -8.742 1.00 0.00 H new ATOM 1114 N LEU A 69 -8.236 -4.398 -10.236 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.329 -3.485 -9.552 1.00 0.00 C ATOM 1116 C LEU A 69 -8.078 -2.255 -9.050 1.00 0.00 C ATOM 1117 O LEU A 69 -7.883 -1.816 -7.916 1.00 0.00 O ATOM 1118 CB LEU A 69 -6.195 -3.061 -10.488 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.796 -3.097 -9.870 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.520 -4.460 -9.257 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.744 -2.755 -10.913 1.00 0.00 C ATOM 0 H LEU A 69 -8.116 -4.432 -11.248 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.904 -4.007 -8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.205 -3.710 -11.363 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.394 -2.049 -10.840 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.749 -2.349 -9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.521 -4.468 -8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.256 -4.665 -8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.585 -5.226 -10.029 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.755 -2.785 -10.456 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.790 -3.479 -11.727 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.932 -1.755 -11.305 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.939 -1.707 -9.900 1.00 0.00 N ATOM 1134 CA GLU A 70 -9.720 -0.528 -9.544 1.00 0.00 C ATOM 1135 C GLU A 70 -10.518 -0.774 -8.268 1.00 0.00 C ATOM 1136 O GLU A 70 -10.654 0.116 -7.427 1.00 0.00 O ATOM 1137 CB GLU A 70 -10.666 -0.155 -10.687 1.00 0.00 C ATOM 1138 CG GLU A 70 -10.053 0.807 -11.692 1.00 0.00 C ATOM 1139 CD GLU A 70 -10.925 2.022 -11.945 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -10.872 2.970 -11.134 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -11.662 2.024 -12.954 1.00 0.00 O ATOM 0 H GLU A 70 -9.114 -2.060 -10.841 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.031 0.298 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.972 -1.063 -11.206 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.568 0.293 -10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.078 1.133 -11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.884 0.284 -12.633 1.00 0.00 H new ATOM 1148 N GLU A 71 -11.039 -1.989 -8.127 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.818 -2.355 -6.952 1.00 0.00 C ATOM 1150 C GLU A 71 -10.932 -2.407 -5.711 1.00 0.00 C ATOM 1151 O GLU A 71 -11.308 -1.924 -4.645 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.502 -3.707 -7.166 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.907 -3.775 -6.590 1.00 0.00 C ATOM 1154 CD GLU A 71 -14.650 -5.028 -7.013 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -13.984 -6.039 -7.316 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -15.899 -4.996 -7.040 1.00 0.00 O ATOM 0 H GLU A 71 -10.935 -2.736 -8.813 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.582 -1.593 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.546 -3.918 -8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.894 -4.489 -6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.852 -3.739 -5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.470 -2.898 -6.910 1.00 0.00 H new ATOM 1163 N ALA A 72 -9.747 -2.990 -5.860 1.00 0.00 N ATOM 1164 CA ALA A 72 -8.808 -3.097 -4.750 1.00 0.00 C ATOM 1165 C ALA A 72 -7.959 -1.834 -4.616 1.00 0.00 C ATOM 1166 O ALA A 72 -6.990 -1.808 -3.856 1.00 0.00 O ATOM 1167 CB ALA A 72 -7.916 -4.317 -4.929 1.00 0.00 C ATOM 0 H ALA A 72 -9.415 -3.394 -6.736 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.385 -3.211 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.220 -4.385 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.531 -5.216 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.357 -4.225 -5.860 1.00 0.00 H new ATOM 1173 N GLY A 73 -8.325 -0.788 -5.354 1.00 0.00 N ATOM 1174 CA GLY A 73 -7.582 0.455 -5.296 1.00 0.00 C ATOM 1175 C GLY A 73 -8.219 1.476 -4.373 1.00 0.00 C ATOM 1176 O GLY A 73 -7.591 1.932 -3.417 1.00 0.00 O ATOM 0 H GLY A 73 -9.123 -0.782 -5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.566 0.251 -4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.506 0.875 -6.299 1.00 0.00 H new ATOM 1180 N ALA A 74 -9.466 1.847 -4.660 1.00 0.00 N ATOM 1181 CA ALA A 74 -10.172 2.831 -3.846 1.00 0.00 C ATOM 1182 C ALA A 74 -11.523 2.316 -3.352 1.00 0.00 C ATOM 1183 O ALA A 74 -12.220 3.007 -2.610 1.00 0.00 O ATOM 1184 CB ALA A 74 -10.359 4.121 -4.631 1.00 0.00 C ATOM 0 H ALA A 74 -10.004 1.483 -5.446 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.558 3.023 -2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.887 4.849 -4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.384 4.521 -4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.940 3.918 -5.531 1.00 0.00 H new ATOM 1190 N LYS A 75 -11.897 1.104 -3.759 1.00 0.00 N ATOM 1191 CA LYS A 75 -13.169 0.527 -3.339 1.00 0.00 C ATOM 1192 C LYS A 75 -13.074 -0.001 -1.908 1.00 0.00 C ATOM 1193 O LYS A 75 -12.223 0.439 -1.136 1.00 0.00 O ATOM 1194 CB LYS A 75 -13.586 -0.592 -4.297 1.00 0.00 C ATOM 1195 CG LYS A 75 -15.058 -0.554 -4.676 1.00 0.00 C ATOM 1196 CD LYS A 75 -15.372 0.627 -5.581 1.00 0.00 C ATOM 1197 CE LYS A 75 -16.269 0.220 -6.738 1.00 0.00 C ATOM 1198 NZ LYS A 75 -17.666 -0.037 -6.293 1.00 0.00 N ATOM 0 H LYS A 75 -11.342 0.509 -4.374 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.929 1.308 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.985 -0.525 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.363 -1.555 -3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.329 -1.482 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.665 -0.493 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.858 1.412 -5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.444 1.046 -5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.267 1.006 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.868 -0.676 -7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.246 -0.312 -7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.671 -0.805 -5.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.058 0.826 -5.865 1.00 0.00 H new ATOM 1212 N ILE A 76 -13.952 -0.942 -1.555 1.00 0.00 N ATOM 1213 CA ILE A 76 -13.961 -1.522 -0.214 1.00 0.00 C ATOM 1214 C ILE A 76 -12.547 -1.860 0.256 1.00 0.00 C ATOM 1215 O ILE A 76 -11.631 -2.001 -0.554 1.00 0.00 O ATOM 1216 CB ILE A 76 -14.829 -2.797 -0.160 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -16.222 -2.519 -0.731 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -14.928 -3.315 1.267 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -16.628 -3.481 -1.826 1.00 0.00 C ATOM 0 H ILE A 76 -14.665 -1.317 -2.180 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.388 -0.771 0.451 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.354 -3.565 -0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -16.953 -2.569 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -16.249 -1.502 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.544 -4.214 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -13.931 -3.550 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -15.381 -2.552 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -17.625 -3.225 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.918 -3.414 -2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -16.633 -4.498 -1.433 1.00 0.00 H new ATOM 1231 N ASN A 77 -12.375 -1.981 1.569 1.00 0.00 N ATOM 1232 CA ASN A 77 -11.072 -2.295 2.144 1.00 0.00 C ATOM 1233 C ASN A 77 -10.757 -3.785 2.023 1.00 0.00 C ATOM 1234 O ASN A 77 -10.491 -4.457 3.020 1.00 0.00 O ATOM 1235 CB ASN A 77 -11.027 -1.866 3.613 1.00 0.00 C ATOM 1236 CG ASN A 77 -11.527 -0.449 3.816 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -10.935 0.508 3.316 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -12.623 -0.307 4.552 1.00 0.00 N ATOM 0 H ASN A 77 -13.122 -1.866 2.254 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.316 -1.743 1.585 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.632 -2.551 4.207 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.004 -1.944 3.980 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.006 0.623 4.722 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.082 -1.128 4.947 1.00 0.00 H new ATOM 1245 N HIS A 78 -10.783 -4.293 0.792 1.00 0.00 N ATOM 1246 CA HIS A 78 -10.496 -5.702 0.529 1.00 0.00 C ATOM 1247 C HIS A 78 -11.213 -6.614 1.520 1.00 0.00 C ATOM 1248 O HIS A 78 -10.727 -7.701 1.837 1.00 0.00 O ATOM 1249 CB HIS A 78 -8.987 -5.952 0.588 1.00 0.00 C ATOM 1250 CG HIS A 78 -8.192 -5.019 -0.271 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -7.090 -4.328 0.187 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -8.343 -4.664 -1.570 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -6.600 -3.587 -0.792 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -7.340 -3.775 -1.867 1.00 0.00 N ATOM 0 H HIS A 78 -11.001 -3.747 -0.042 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.864 -5.935 -0.470 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -8.651 -5.857 1.621 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.785 -6.978 0.280 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.109 -5.015 -2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -5.740 -2.938 -0.723 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.191 -3.331 -2.773 1.00 0.00 H new ATOM 1263 N THR A 79 -12.368 -6.165 2.009 1.00 0.00 N ATOM 1264 CA THR A 79 -13.157 -6.939 2.967 1.00 0.00 C ATOM 1265 C THR A 79 -12.266 -7.517 4.072 1.00 0.00 C ATOM 1266 O THR A 79 -11.118 -7.103 4.230 1.00 0.00 O ATOM 1267 CB THR A 79 -13.938 -8.045 2.235 1.00 0.00 C ATOM 1268 OG1 THR A 79 -15.226 -8.212 2.807 1.00 0.00 O ATOM 1269 CG2 THR A 79 -13.253 -9.400 2.231 1.00 0.00 C ATOM 0 H THR A 79 -12.779 -5.266 1.757 1.00 0.00 H new ATOM 0 HA THR A 79 -13.876 -6.275 3.447 1.00 0.00 H new ATOM 0 HB THR A 79 -13.998 -7.701 1.202 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.708 -8.918 2.327 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.872 -10.119 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.284 -9.317 1.738 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.110 -9.739 3.257 1.00 0.00 H new ATOM 1277 N THR A 80 -12.801 -8.465 4.835 1.00 0.00 N ATOM 1278 CA THR A 80 -12.052 -9.086 5.923 1.00 0.00 C ATOM 1279 C THR A 80 -10.922 -9.969 5.390 1.00 0.00 C ATOM 1280 O THR A 80 -10.910 -11.180 5.612 1.00 0.00 O ATOM 1281 CB THR A 80 -12.989 -9.913 6.805 1.00 0.00 C ATOM 1282 OG1 THR A 80 -12.294 -10.446 7.917 1.00 0.00 O ATOM 1283 CG2 THR A 80 -13.636 -11.069 6.071 1.00 0.00 C ATOM 0 H THR A 80 -13.750 -8.820 4.720 1.00 0.00 H new ATOM 0 HA THR A 80 -11.606 -8.289 6.518 1.00 0.00 H new ATOM 0 HB THR A 80 -13.769 -9.222 7.123 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.593 -11.054 7.603 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.288 -11.614 6.754 1.00 0.00 H new ATOM 0 HG22 THR A 80 -14.223 -10.687 5.236 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.863 -11.739 5.694 1.00 0.00 H new ATOM 1291 N LEU A 81 -9.970 -9.351 4.694 1.00 0.00 N ATOM 1292 CA LEU A 81 -8.825 -10.069 4.133 1.00 0.00 C ATOM 1293 C LEU A 81 -9.245 -11.372 3.454 1.00 0.00 C ATOM 1294 O LEU A 81 -8.465 -12.321 3.379 1.00 0.00 O ATOM 1295 CB LEU A 81 -7.802 -10.363 5.231 1.00 0.00 C ATOM 1296 CG LEU A 81 -6.824 -9.224 5.524 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -6.438 -9.217 6.995 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -5.589 -9.345 4.645 1.00 0.00 C ATOM 0 H LEU A 81 -9.968 -8.349 4.504 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.376 -9.429 3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.337 -10.608 6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.232 -11.248 4.948 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.316 -8.279 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.742 -8.400 7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.331 -9.082 7.605 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.964 -10.164 7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.903 -8.527 4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.094 -10.296 4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.883 -9.299 3.596 1.00 0.00 H new ATOM 1310 N LYS A 82 -10.477 -11.412 2.958 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.987 -12.600 2.285 1.00 0.00 C ATOM 1312 C LYS A 82 -10.465 -12.679 0.857 1.00 0.00 C ATOM 1313 O LYS A 82 -10.079 -13.749 0.384 1.00 0.00 O ATOM 1314 CB LYS A 82 -12.518 -12.598 2.289 1.00 0.00 C ATOM 1315 CG LYS A 82 -13.128 -13.898 2.784 1.00 0.00 C ATOM 1316 CD LYS A 82 -12.624 -15.090 1.985 1.00 0.00 C ATOM 1317 CE LYS A 82 -13.725 -16.114 1.761 1.00 0.00 C ATOM 1318 NZ LYS A 82 -14.320 -16.584 3.043 1.00 0.00 N ATOM 0 H LYS A 82 -11.139 -10.638 3.009 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.635 -13.477 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.870 -11.779 2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.875 -12.401 1.278 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.886 -14.037 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.214 -13.843 2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.241 -14.749 1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.792 -15.557 2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.505 -15.677 1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.321 -16.967 1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.955 -17.386 2.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.562 -16.885 3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.859 -15.810 3.480 1.00 0.00 H new ATOM 1332 N ILE A 83 -10.448 -11.539 0.172 1.00 0.00 N ATOM 1333 CA ILE A 83 -9.963 -11.486 -1.201 1.00 0.00 C ATOM 1334 C ILE A 83 -8.527 -11.984 -1.284 1.00 0.00 C ATOM 1335 O ILE A 83 -8.166 -12.719 -2.203 1.00 0.00 O ATOM 1336 CB ILE A 83 -10.042 -10.056 -1.774 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -9.629 -10.046 -3.248 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -9.166 -9.109 -0.967 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -9.696 -8.676 -3.886 1.00 0.00 C ATOM 0 H ILE A 83 -10.763 -10.643 0.545 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.607 -12.135 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 83 -11.074 -9.713 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -8.612 -10.429 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.274 -10.728 -3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.234 -8.105 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -9.504 -9.094 0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.131 -9.449 -1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.390 -8.745 -4.930 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.717 -8.299 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.029 -7.995 -3.357 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.715 -11.590 -0.311 1.00 0.00 N ATOM 1352 CA LEU A 84 -6.322 -12.010 -0.270 1.00 0.00 C ATOM 1353 C LEU A 84 -6.236 -13.520 -0.104 1.00 0.00 C ATOM 1354 O LEU A 84 -5.445 -14.185 -0.773 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.583 -11.311 0.872 1.00 0.00 C ATOM 1356 CG LEU A 84 -5.291 -9.826 0.642 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -6.390 -8.967 1.247 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -3.937 -9.453 1.229 1.00 0.00 C ATOM 0 H LEU A 84 -7.997 -10.982 0.458 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.848 -11.730 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.173 -11.413 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.639 -11.829 1.044 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.263 -9.642 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.166 -7.914 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.344 -9.216 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.449 -9.154 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.745 -8.394 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.938 -9.652 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.157 -10.046 0.750 1.00 0.00 H new ATOM 1370 N GLU A 85 -7.067 -14.058 0.783 1.00 0.00 N ATOM 1371 CA GLU A 85 -7.093 -15.493 1.022 1.00 0.00 C ATOM 1372 C GLU A 85 -7.606 -16.232 -0.213 1.00 0.00 C ATOM 1373 O GLU A 85 -7.378 -17.431 -0.368 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.975 -15.818 2.229 1.00 0.00 C ATOM 1375 CG GLU A 85 -7.249 -15.706 3.560 1.00 0.00 C ATOM 1376 CD GLU A 85 -7.810 -16.645 4.610 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -9.050 -16.765 4.697 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -7.009 -17.259 5.346 1.00 0.00 O ATOM 0 H GLU A 85 -7.728 -13.522 1.345 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.075 -15.823 1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.832 -15.145 2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.365 -16.830 2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.191 -15.923 3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.317 -14.680 3.922 1.00 0.00 H new ATOM 1385 N GLY A 86 -8.301 -15.506 -1.089 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.831 -16.111 -2.294 1.00 0.00 C ATOM 1387 C GLY A 86 -7.810 -16.176 -3.414 1.00 0.00 C ATOM 1388 O GLY A 86 -7.828 -17.106 -4.220 1.00 0.00 O ATOM 0 H GLY A 86 -8.504 -14.512 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.180 -17.118 -2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.698 -15.542 -2.630 1.00 0.00 H new ATOM 1392 N HIS A 87 -6.920 -15.188 -3.470 1.00 0.00 N ATOM 1393 CA HIS A 87 -5.896 -15.152 -4.510 1.00 0.00 C ATOM 1394 C HIS A 87 -4.870 -14.054 -4.241 1.00 0.00 C ATOM 1395 O HIS A 87 -4.798 -13.065 -4.970 1.00 0.00 O ATOM 1396 CB HIS A 87 -6.543 -14.937 -5.879 1.00 0.00 C ATOM 1397 CG HIS A 87 -7.529 -13.809 -5.904 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -7.172 -12.504 -6.171 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -8.866 -13.797 -5.693 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -8.247 -11.737 -6.121 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -9.288 -12.497 -5.833 1.00 0.00 N ATOM 0 H HIS A 87 -6.887 -14.408 -2.813 1.00 0.00 H new ATOM 0 HA HIS A 87 -5.377 -16.110 -4.502 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.762 -14.743 -6.614 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.046 -15.855 -6.183 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -6.226 -12.181 -6.375 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -9.485 -14.650 -5.458 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -8.270 -10.670 -6.287 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.075 -14.236 -3.192 1.00 0.00 N ATOM 1411 CA LEU A 88 -3.051 -13.262 -2.835 1.00 0.00 C ATOM 1412 C LEU A 88 -2.126 -13.813 -1.755 1.00 0.00 C ATOM 1413 O LEU A 88 -2.471 -13.685 -0.561 1.00 0.00 O ATOM 1414 CB LEU A 88 -3.697 -11.960 -2.358 1.00 0.00 C ATOM 1415 CG LEU A 88 -2.957 -10.684 -2.762 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -1.501 -10.750 -2.326 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -3.056 -10.465 -4.264 1.00 0.00 C ATOM 1418 OXT LEU A 88 -1.066 -14.370 -2.111 1.00 0.00 O ATOM 0 H LEU A 88 -4.120 -15.047 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.456 -13.057 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.713 -11.912 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.775 -11.988 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.427 -9.839 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.991 -9.834 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.450 -10.860 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.017 -11.604 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.524 -9.553 -4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.611 -11.313 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.104 -10.372 -4.550 1.00 0.00 H new TER 1430 LEU A 88