USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 543 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 68 GLN : amide:sc= -6.67! C(o=-9.5!,f=-11!) USER MOD Set 1.2: A 72 ASN : amide:sc= -2.83 K(o=-9.5,f=-12!) USER MOD Set 2.1: A 24 GLN :FLIP amide:sc= -0.737 F(o=-6.5,f=-2.3) USER MOD Set 2.2: A 47 ASN : amide:sc= -1.55 K(o=-2.3,f=-3!) USER MOD Set 3.1: A 28 TYR OH : rot 30:sc= -0.0543 USER MOD Set 3.2: A 32 ASN : amide:sc= -2.16 X(o=-2.2,f=-1.8!) USER MOD Single : A 1 ASN : amide:sc= -0.0784 K(o=-0.078,f=-1.8!) USER MOD Single : A 1 ASN N :NH3+ -148:sc= 0 (180deg=-0.00903) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.783 USER MOD Single : A 4 LYS NZ :NH3+ -161:sc= -0.0668 (180deg=-0.478) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -57:sc= 0.0378 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -48:sc= 0.532 USER MOD Single : A 34 ASN : amide:sc= -0.0969 K(o=-0.097,f=-1.9!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -90:sc= 0.187 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 31:sc= -1.66 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.724 K(o=-0.72,f=-4.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -1.13 F(o=-4,f=-1.1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -105:sc= 0.407 USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= -0.0481 (180deg=-0.522) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= -0.0669 (180deg=-0.519) USER MOD Single : A 63 HIS : no HD1:sc= 0.246 K(o=0.25,f=-1.7) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.707 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -35.522 0.936 8.286 1.00 0.00 N ATOM 2 CA ASN A 1 -35.204 1.829 9.437 1.00 0.00 C ATOM 3 C ASN A 1 -34.893 3.228 8.918 1.00 0.00 C ATOM 4 O ASN A 1 -33.766 3.711 9.042 1.00 0.00 O ATOM 5 CB ASN A 1 -33.999 1.271 10.195 1.00 0.00 C ATOM 6 CG ASN A 1 -34.397 0.005 10.947 1.00 0.00 C ATOM 7 OD1 ASN A 1 -35.580 -0.221 11.201 1.00 0.00 O ATOM 8 ND2 ASN A 1 -33.474 -0.838 11.322 1.00 0.00 N ATOM 0 H1 ASN A 1 -36.216 0.221 8.583 1.00 0.00 H new ATOM 0 H2 ASN A 1 -35.918 1.501 7.508 1.00 0.00 H new ATOM 0 H3 ASN A 1 -34.654 0.463 7.963 1.00 0.00 H new ATOM 0 HA ASN A 1 -36.058 1.879 10.113 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -33.190 1.051 9.498 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -33.622 2.017 10.895 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -33.732 -1.686 11.827 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -32.494 -0.649 11.111 1.00 0.00 H new ATOM 17 N LEU A 2 -35.897 3.875 8.337 1.00 0.00 N ATOM 18 CA LEU A 2 -35.722 5.221 7.801 1.00 0.00 C ATOM 19 C LEU A 2 -36.443 6.239 8.678 1.00 0.00 C ATOM 20 O LEU A 2 -37.645 6.118 8.915 1.00 0.00 O ATOM 21 CB LEU A 2 -36.267 5.285 6.369 1.00 0.00 C ATOM 22 CG LEU A 2 -36.142 6.712 5.822 1.00 0.00 C ATOM 23 CD1 LEU A 2 -34.670 7.127 5.787 1.00 0.00 C ATOM 24 CD2 LEU A 2 -36.715 6.760 4.404 1.00 0.00 C ATOM 0 H LEU A 2 -36.836 3.492 8.225 1.00 0.00 H new ATOM 0 HA LEU A 2 -34.659 5.460 7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -35.717 4.593 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -37.311 4.972 6.354 1.00 0.00 H new ATOM 0 HG LEU A 2 -36.693 7.396 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -34.587 8.142 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -34.258 7.091 6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -34.115 6.445 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -36.628 7.773 4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -36.161 6.074 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -37.765 6.468 4.426 1.00 0.00 H new ATOM 36 N THR A 3 -35.690 7.235 9.154 1.00 0.00 N ATOM 37 CA THR A 3 -36.236 8.294 10.011 1.00 0.00 C ATOM 38 C THR A 3 -36.475 7.795 11.437 1.00 0.00 C ATOM 39 O THR A 3 -36.054 8.437 12.399 1.00 0.00 O ATOM 40 CB THR A 3 -37.543 8.844 9.429 1.00 0.00 C ATOM 41 OG1 THR A 3 -37.431 8.926 8.015 1.00 0.00 O ATOM 42 CG2 THR A 3 -37.816 10.237 10.002 1.00 0.00 C ATOM 0 H THR A 3 -34.693 7.331 8.959 1.00 0.00 H new ATOM 0 HA THR A 3 -35.496 9.094 10.047 1.00 0.00 H new ATOM 0 HB THR A 3 -38.366 8.179 9.692 1.00 0.00 H new ATOM 0 HG1 THR A 3 -38.266 9.276 7.640 1.00 0.00 H new ATOM 0 HG21 THR A 3 -38.746 10.626 9.586 1.00 0.00 H new ATOM 0 HG22 THR A 3 -37.902 10.174 11.087 1.00 0.00 H new ATOM 0 HG23 THR A 3 -36.995 10.905 9.741 1.00 0.00 H new ATOM 50 N LYS A 4 -37.152 6.659 11.575 1.00 0.00 N ATOM 51 CA LYS A 4 -37.433 6.110 12.897 1.00 0.00 C ATOM 52 C LYS A 4 -36.137 5.811 13.644 1.00 0.00 C ATOM 53 O LYS A 4 -36.003 6.132 14.825 1.00 0.00 O ATOM 54 CB LYS A 4 -38.256 4.827 12.768 1.00 0.00 C ATOM 55 CG LYS A 4 -38.567 4.274 14.162 1.00 0.00 C ATOM 56 CD LYS A 4 -39.418 3.009 14.032 1.00 0.00 C ATOM 57 CE LYS A 4 -39.752 2.471 15.426 1.00 0.00 C ATOM 58 NZ LYS A 4 -38.496 2.074 16.123 1.00 0.00 N ATOM 0 H LYS A 4 -37.513 6.106 10.797 1.00 0.00 H new ATOM 0 HA LYS A 4 -38.000 6.851 13.461 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -39.183 5.030 12.231 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -37.706 4.087 12.186 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -37.641 4.049 14.690 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -39.097 5.022 14.752 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -40.336 3.230 13.487 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -38.880 2.254 13.459 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -40.276 3.232 16.005 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -40.421 1.615 15.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -38.723 1.429 16.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -37.863 1.594 15.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -38.024 2.922 16.498 1.00 0.00 H new ATOM 72 N GLN A 5 -35.183 5.196 12.951 1.00 0.00 N ATOM 73 CA GLN A 5 -33.904 4.866 13.569 1.00 0.00 C ATOM 74 C GLN A 5 -32.741 5.346 12.708 1.00 0.00 C ATOM 75 O GLN A 5 -32.661 5.032 11.521 1.00 0.00 O ATOM 76 CB GLN A 5 -33.798 3.353 13.773 1.00 0.00 C ATOM 77 CG GLN A 5 -32.470 3.021 14.453 1.00 0.00 C ATOM 78 CD GLN A 5 -32.387 1.524 14.731 1.00 0.00 C ATOM 79 OE1 GLN A 5 -33.344 0.791 14.484 1.00 0.00 O ATOM 80 NE2 GLN A 5 -31.292 1.024 15.235 1.00 0.00 N ATOM 0 H GLN A 5 -35.269 4.919 11.973 1.00 0.00 H new ATOM 0 HA GLN A 5 -33.853 5.371 14.534 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -34.629 2.999 14.383 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -33.865 2.841 12.813 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -31.640 3.328 13.817 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -32.380 3.578 15.386 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -30.500 1.633 15.439 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -31.228 0.024 15.425 1.00 0.00 H new ATOM 89 N LYS A 6 -31.834 6.104 13.319 1.00 0.00 N ATOM 90 CA LYS A 6 -30.670 6.617 12.605 1.00 0.00 C ATOM 91 C LYS A 6 -29.784 5.468 12.135 1.00 0.00 C ATOM 92 O LYS A 6 -29.233 5.502 11.035 1.00 0.00 O ATOM 93 CB LYS A 6 -29.862 7.546 13.517 1.00 0.00 C ATOM 94 CG LYS A 6 -30.657 8.824 13.822 1.00 0.00 C ATOM 95 CD LYS A 6 -30.805 9.675 12.554 1.00 0.00 C ATOM 96 CE LYS A 6 -31.514 10.986 12.904 1.00 0.00 C ATOM 97 NZ LYS A 6 -31.663 11.813 11.673 1.00 0.00 N ATOM 0 H LYS A 6 -31.883 6.375 14.301 1.00 0.00 H new ATOM 0 HA LYS A 6 -31.017 7.175 11.736 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -29.619 7.031 14.447 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -28.917 7.804 13.038 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -31.642 8.564 14.210 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -30.150 9.399 14.597 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -29.825 9.882 12.125 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -31.374 9.130 11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -32.493 10.779 13.337 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -30.943 11.532 13.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -32.145 12.704 11.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -30.723 12.021 11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -32.225 11.292 10.970 1.00 0.00 H new ATOM 111 N ASP A 7 -29.649 4.453 12.983 1.00 0.00 N ATOM 112 CA ASP A 7 -28.824 3.295 12.656 1.00 0.00 C ATOM 113 C ASP A 7 -27.400 3.729 12.323 1.00 0.00 C ATOM 114 O ASP A 7 -26.799 3.241 11.365 1.00 0.00 O ATOM 115 CB ASP A 7 -29.425 2.546 11.465 1.00 0.00 C ATOM 116 CG ASP A 7 -28.740 1.193 11.301 1.00 0.00 C ATOM 117 OD1 ASP A 7 -27.730 0.978 11.950 1.00 0.00 O ATOM 118 OD2 ASP A 7 -29.239 0.391 10.528 1.00 0.00 O ATOM 0 H ASP A 7 -30.098 4.409 13.898 1.00 0.00 H new ATOM 0 HA ASP A 7 -28.796 2.635 13.523 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -30.495 2.405 11.616 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -29.306 3.136 10.556 1.00 0.00 H new ATOM 123 N ALA A 8 -26.864 4.641 13.129 1.00 0.00 N ATOM 124 CA ALA A 8 -25.504 5.133 12.925 1.00 0.00 C ATOM 125 C ALA A 8 -25.368 5.838 11.578 1.00 0.00 C ATOM 126 O ALA A 8 -26.073 5.518 10.621 1.00 0.00 O ATOM 127 CB ALA A 8 -24.514 3.970 12.994 1.00 0.00 C ATOM 0 H ALA A 8 -27.348 5.053 13.927 1.00 0.00 H new ATOM 0 HA ALA A 8 -25.284 5.852 13.714 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -23.502 4.344 12.841 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -24.581 3.493 13.972 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -24.753 3.242 12.218 1.00 0.00 H new ATOM 133 N VAL A 9 -24.448 6.795 11.511 1.00 0.00 N ATOM 134 CA VAL A 9 -24.214 7.538 10.277 1.00 0.00 C ATOM 135 C VAL A 9 -23.700 6.603 9.184 1.00 0.00 C ATOM 136 O VAL A 9 -23.923 6.839 7.997 1.00 0.00 O ATOM 137 CB VAL A 9 -23.202 8.657 10.524 1.00 0.00 C ATOM 138 CG1 VAL A 9 -21.824 8.052 10.788 1.00 0.00 C ATOM 139 CG2 VAL A 9 -23.133 9.562 9.291 1.00 0.00 C ATOM 0 H VAL A 9 -23.855 7.074 12.292 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.157 7.976 9.949 1.00 0.00 H new ATOM 0 HB VAL A 9 -23.513 9.242 11.390 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -21.104 8.851 10.964 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -21.872 7.407 11.665 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.512 7.466 9.923 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -22.412 10.360 9.466 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -22.823 8.976 8.426 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -24.115 9.995 9.102 1.00 0.00 H new ATOM 149 N SER A 10 -23.011 5.543 9.600 1.00 0.00 N ATOM 150 CA SER A 10 -22.467 4.568 8.659 1.00 0.00 C ATOM 151 C SER A 10 -21.353 5.181 7.814 1.00 0.00 C ATOM 152 O SER A 10 -21.326 5.016 6.594 1.00 0.00 O ATOM 153 CB SER A 10 -23.575 4.046 7.744 1.00 0.00 C ATOM 154 OG SER A 10 -23.163 2.818 7.160 1.00 0.00 O ATOM 0 H SER A 10 -22.817 5.338 10.580 1.00 0.00 H new ATOM 0 HA SER A 10 -22.050 3.742 9.235 1.00 0.00 H new ATOM 0 HB2 SER A 10 -24.494 3.901 8.312 1.00 0.00 H new ATOM 0 HB3 SER A 10 -23.794 4.777 6.965 1.00 0.00 H new ATOM 0 HG SER A 10 -22.325 2.954 6.670 1.00 0.00 H new ATOM 160 N ASP A 11 -20.430 5.876 8.471 1.00 0.00 N ATOM 161 CA ASP A 11 -19.310 6.496 7.771 1.00 0.00 C ATOM 162 C ASP A 11 -18.406 5.428 7.164 1.00 0.00 C ATOM 163 O ASP A 11 -18.246 4.347 7.729 1.00 0.00 O ATOM 164 CB ASP A 11 -18.503 7.365 8.737 1.00 0.00 C ATOM 165 CG ASP A 11 -19.289 8.624 9.090 1.00 0.00 C ATOM 166 OD1 ASP A 11 -20.268 8.896 8.415 1.00 0.00 O ATOM 167 OD2 ASP A 11 -18.900 9.296 10.030 1.00 0.00 O ATOM 0 H ASP A 11 -20.434 6.024 9.480 1.00 0.00 H new ATOM 0 HA ASP A 11 -19.706 7.121 6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -18.277 6.802 9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -17.550 7.637 8.284 1.00 0.00 H new ATOM 172 N THR A 12 -17.816 5.735 6.013 1.00 0.00 N ATOM 173 CA THR A 12 -16.932 4.782 5.350 1.00 0.00 C ATOM 174 C THR A 12 -15.817 5.505 4.601 1.00 0.00 C ATOM 175 O THR A 12 -15.987 6.639 4.152 1.00 0.00 O ATOM 176 CB THR A 12 -17.733 3.924 4.369 1.00 0.00 C ATOM 177 OG1 THR A 12 -16.890 2.921 3.820 1.00 0.00 O ATOM 178 CG2 THR A 12 -18.280 4.806 3.245 1.00 0.00 C ATOM 0 H THR A 12 -17.931 6.623 5.525 1.00 0.00 H new ATOM 0 HA THR A 12 -16.484 4.145 6.113 1.00 0.00 H new ATOM 0 HB THR A 12 -18.564 3.452 4.894 1.00 0.00 H new ATOM 0 HG1 THR A 12 -17.403 2.370 3.193 1.00 0.00 H new ATOM 0 HG21 THR A 12 -18.850 4.194 2.547 1.00 0.00 H new ATOM 0 HG22 THR A 12 -18.928 5.574 3.668 1.00 0.00 H new ATOM 0 HG23 THR A 12 -17.452 5.280 2.719 1.00 0.00 H new ATOM 186 N GLY A 13 -14.676 4.836 4.471 1.00 0.00 N ATOM 187 CA GLY A 13 -13.530 5.412 3.774 1.00 0.00 C ATOM 188 C GLY A 13 -13.365 4.825 2.401 1.00 0.00 C ATOM 189 O GLY A 13 -12.305 4.304 2.072 1.00 0.00 O ATOM 0 H GLY A 13 -14.520 3.897 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.656 6.492 3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.625 5.238 4.356 1.00 0.00 H new ATOM 193 N THR A 14 -14.386 4.943 1.578 1.00 0.00 N ATOM 194 CA THR A 14 -14.255 4.447 0.235 1.00 0.00 C ATOM 195 C THR A 14 -13.122 5.229 -0.398 1.00 0.00 C ATOM 196 O THR A 14 -12.225 4.668 -1.007 1.00 0.00 O ATOM 197 CB THR A 14 -15.553 4.659 -0.549 1.00 0.00 C ATOM 198 OG1 THR A 14 -16.607 3.943 0.080 1.00 0.00 O ATOM 199 CG2 THR A 14 -15.374 4.153 -1.982 1.00 0.00 C ATOM 0 H THR A 14 -15.286 5.364 1.809 1.00 0.00 H new ATOM 0 HA THR A 14 -14.050 3.376 0.230 1.00 0.00 H new ATOM 0 HB THR A 14 -15.796 5.721 -0.569 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.439 4.079 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.298 4.304 -2.539 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.566 4.703 -2.464 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.130 3.091 -1.965 1.00 0.00 H new ATOM 207 N ALA A 15 -13.165 6.541 -0.200 1.00 0.00 N ATOM 208 CA ALA A 15 -12.116 7.431 -0.694 1.00 0.00 C ATOM 209 C ALA A 15 -10.813 7.202 0.052 1.00 0.00 C ATOM 210 O ALA A 15 -9.717 7.237 -0.517 1.00 0.00 O ATOM 211 CB ALA A 15 -12.541 8.891 -0.559 1.00 0.00 C ATOM 0 H ALA A 15 -13.917 7.015 0.301 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.957 7.205 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.746 9.537 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.449 9.061 -1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.732 9.119 0.490 1.00 0.00 H new ATOM 217 N ALA A 16 -10.958 6.995 1.349 1.00 0.00 N ATOM 218 CA ALA A 16 -9.822 6.792 2.224 1.00 0.00 C ATOM 219 C ALA A 16 -9.033 5.577 1.786 1.00 0.00 C ATOM 220 O ALA A 16 -7.808 5.555 1.893 1.00 0.00 O ATOM 221 CB ALA A 16 -10.294 6.606 3.666 1.00 0.00 C ATOM 0 H ALA A 16 -11.862 6.963 1.821 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.181 7.672 2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.431 6.454 4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.838 7.494 3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.950 5.737 3.725 1.00 0.00 H new ATOM 227 N VAL A 17 -9.736 4.553 1.332 1.00 0.00 N ATOM 228 CA VAL A 17 -9.043 3.330 0.931 1.00 0.00 C ATOM 229 C VAL A 17 -7.945 3.661 -0.078 1.00 0.00 C ATOM 230 O VAL A 17 -6.876 3.051 -0.076 1.00 0.00 O ATOM 231 CB VAL A 17 -10.004 2.289 0.335 1.00 0.00 C ATOM 232 CG1 VAL A 17 -10.305 2.592 -1.147 1.00 0.00 C ATOM 233 CG2 VAL A 17 -9.367 0.898 0.465 1.00 0.00 C ATOM 0 H VAL A 17 -10.751 4.536 1.232 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.602 2.894 1.828 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.947 2.325 0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.987 1.839 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.764 3.577 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.377 2.575 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -10.039 0.149 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.421 0.879 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.189 0.676 1.517 1.00 0.00 H new ATOM 243 N VAL A 18 -8.212 4.638 -0.932 1.00 0.00 N ATOM 244 CA VAL A 18 -7.222 5.040 -1.913 1.00 0.00 C ATOM 245 C VAL A 18 -6.000 5.596 -1.193 1.00 0.00 C ATOM 246 O VAL A 18 -4.859 5.249 -1.496 1.00 0.00 O ATOM 247 CB VAL A 18 -7.807 6.093 -2.856 1.00 0.00 C ATOM 248 CG1 VAL A 18 -6.696 6.665 -3.737 1.00 0.00 C ATOM 249 CG2 VAL A 18 -8.874 5.441 -3.741 1.00 0.00 C ATOM 0 H VAL A 18 -9.089 5.157 -0.965 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.929 4.174 -2.507 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.255 6.897 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.114 7.415 -4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.934 7.125 -3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.247 5.863 -4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.294 6.188 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.422 4.639 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.666 5.032 -3.114 1.00 0.00 H new ATOM 259 N LYS A 19 -6.272 6.492 -0.253 1.00 0.00 N ATOM 260 CA LYS A 19 -5.221 7.152 0.521 1.00 0.00 C ATOM 261 C LYS A 19 -4.376 6.184 1.359 1.00 0.00 C ATOM 262 O LYS A 19 -3.156 6.327 1.414 1.00 0.00 O ATOM 263 CB LYS A 19 -5.850 8.202 1.438 1.00 0.00 C ATOM 264 CG LYS A 19 -4.757 8.921 2.233 1.00 0.00 C ATOM 265 CD LYS A 19 -5.394 9.988 3.125 1.00 0.00 C ATOM 266 CE LYS A 19 -4.306 10.703 3.925 1.00 0.00 C ATOM 267 NZ LYS A 19 -4.926 11.749 4.787 1.00 0.00 N ATOM 0 H LYS A 19 -7.218 6.782 -0.005 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.545 7.614 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.415 8.922 0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.555 7.727 2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.205 8.205 2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.040 9.381 1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.943 10.706 2.515 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.114 9.528 3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.762 9.986 4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.582 11.157 3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.185 12.235 5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.426 12.439 4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.601 11.304 5.442 1.00 0.00 H new ATOM 281 N VAL A 20 -5.008 5.223 2.039 1.00 0.00 N ATOM 282 CA VAL A 20 -4.245 4.301 2.880 1.00 0.00 C ATOM 283 C VAL A 20 -3.425 3.303 2.064 1.00 0.00 C ATOM 284 O VAL A 20 -2.226 3.153 2.288 1.00 0.00 O ATOM 285 CB VAL A 20 -5.188 3.573 3.837 1.00 0.00 C ATOM 286 CG1 VAL A 20 -5.779 4.598 4.814 1.00 0.00 C ATOM 287 CG2 VAL A 20 -6.332 2.863 3.070 1.00 0.00 C ATOM 0 H VAL A 20 -6.016 5.066 2.025 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.531 4.893 3.453 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.625 2.810 4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.455 4.094 5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.974 5.072 5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.329 5.357 4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.985 2.355 3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.908 3.601 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.909 2.134 2.379 1.00 0.00 H new ATOM 297 N VAL A 21 -4.074 2.588 1.163 1.00 0.00 N ATOM 298 CA VAL A 21 -3.356 1.583 0.398 1.00 0.00 C ATOM 299 C VAL A 21 -2.237 2.191 -0.430 1.00 0.00 C ATOM 300 O VAL A 21 -1.144 1.650 -0.442 1.00 0.00 O ATOM 301 CB VAL A 21 -4.276 0.761 -0.497 1.00 0.00 C ATOM 302 CG1 VAL A 21 -3.412 -0.105 -1.437 1.00 0.00 C ATOM 303 CG2 VAL A 21 -5.162 -0.143 0.382 1.00 0.00 C ATOM 0 H VAL A 21 -5.067 2.678 0.946 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.917 0.911 1.135 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.912 1.419 -1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.059 -0.698 -2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.782 0.540 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.784 -0.770 -0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.822 -0.733 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.531 -0.810 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.760 0.475 1.052 1.00 0.00 H new ATOM 313 N GLU A 22 -2.481 3.298 -1.128 1.00 0.00 N ATOM 314 CA GLU A 22 -1.399 3.875 -1.924 1.00 0.00 C ATOM 315 C GLU A 22 -0.241 4.286 -1.012 1.00 0.00 C ATOM 316 O GLU A 22 0.918 3.967 -1.277 1.00 0.00 O ATOM 317 CB GLU A 22 -1.923 5.092 -2.685 1.00 0.00 C ATOM 318 CG GLU A 22 -2.861 4.625 -3.801 1.00 0.00 C ATOM 319 CD GLU A 22 -3.558 5.823 -4.434 1.00 0.00 C ATOM 320 OE1 GLU A 22 -3.506 6.892 -3.846 1.00 0.00 O ATOM 321 OE2 GLU A 22 -4.135 5.657 -5.496 1.00 0.00 O ATOM 0 H GLU A 22 -3.372 3.794 -1.161 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.038 3.133 -2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.452 5.760 -2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.092 5.658 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.296 4.081 -4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.602 3.934 -3.399 1.00 0.00 H new ATOM 328 N SER A 23 -0.556 5.053 0.025 1.00 0.00 N ATOM 329 CA SER A 23 0.490 5.556 0.914 1.00 0.00 C ATOM 330 C SER A 23 1.277 4.403 1.532 1.00 0.00 C ATOM 331 O SER A 23 2.508 4.408 1.512 1.00 0.00 O ATOM 332 CB SER A 23 -0.133 6.403 2.025 1.00 0.00 C ATOM 333 OG SER A 23 0.893 6.874 2.887 1.00 0.00 O ATOM 0 H SER A 23 -1.505 5.337 0.270 1.00 0.00 H new ATOM 0 HA SER A 23 1.173 6.169 0.326 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.677 7.244 1.595 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.854 5.811 2.589 1.00 0.00 H new ATOM 0 HG SER A 23 0.497 7.419 3.599 1.00 0.00 H new ATOM 339 N GLN A 24 0.577 3.416 2.070 1.00 0.00 N ATOM 340 CA GLN A 24 1.246 2.269 2.674 1.00 0.00 C ATOM 341 C GLN A 24 2.025 1.513 1.592 1.00 0.00 C ATOM 342 O GLN A 24 3.120 1.005 1.822 1.00 0.00 O ATOM 343 CB GLN A 24 0.192 1.358 3.309 1.00 0.00 C ATOM 344 CG GLN A 24 -0.447 2.072 4.508 1.00 0.00 C ATOM 345 CD GLN A 24 0.603 2.407 5.563 1.00 0.00 C ATOM 346 OE1 GLN A 24 1.103 1.455 6.297 1.00 0.00 O flip ATOM 347 NE2 GLN A 24 0.957 3.574 5.738 1.00 0.00 N flip ATOM 0 H GLN A 24 -0.442 3.383 2.102 1.00 0.00 H new ATOM 0 HA GLN A 24 1.943 2.599 3.444 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.572 1.102 2.575 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.651 0.423 3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.937 2.986 4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.219 1.438 4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.564 4.318 5.162 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.643 3.796 6.459 1.00 0.00 H new ATOM 356 N ALA A 25 1.395 1.406 0.432 1.00 0.00 N ATOM 357 CA ALA A 25 1.961 0.665 -0.693 1.00 0.00 C ATOM 358 C ALA A 25 3.325 1.225 -1.067 1.00 0.00 C ATOM 359 O ALA A 25 4.270 0.479 -1.297 1.00 0.00 O ATOM 360 CB ALA A 25 1.054 0.797 -1.907 1.00 0.00 C ATOM 0 H ALA A 25 0.485 1.825 0.241 1.00 0.00 H new ATOM 0 HA ALA A 25 2.055 -0.379 -0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.481 0.242 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.069 0.395 -1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.961 1.848 -2.179 1.00 0.00 H new ATOM 366 N GLU A 26 3.425 2.544 -1.087 1.00 0.00 N ATOM 367 CA GLU A 26 4.679 3.217 -1.394 1.00 0.00 C ATOM 368 C GLU A 26 5.688 2.911 -0.305 1.00 0.00 C ATOM 369 O GLU A 26 6.875 2.709 -0.556 1.00 0.00 O ATOM 370 CB GLU A 26 4.454 4.730 -1.478 1.00 0.00 C ATOM 371 CG GLU A 26 5.772 5.432 -1.817 1.00 0.00 C ATOM 372 CD GLU A 26 6.256 4.996 -3.194 1.00 0.00 C ATOM 373 OE1 GLU A 26 5.441 4.511 -3.960 1.00 0.00 O ATOM 374 OE2 GLU A 26 7.437 5.152 -3.462 1.00 0.00 O ATOM 0 H GLU A 26 2.647 3.175 -0.893 1.00 0.00 H new ATOM 0 HA GLU A 26 5.055 2.862 -2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.706 4.954 -2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.066 5.103 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.633 6.513 -1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.525 5.193 -1.066 1.00 0.00 H new ATOM 381 N LEU A 27 5.183 2.889 0.912 1.00 0.00 N ATOM 382 CA LEU A 27 6.037 2.612 2.050 1.00 0.00 C ATOM 383 C LEU A 27 6.625 1.211 1.920 1.00 0.00 C ATOM 384 O LEU A 27 7.803 1.012 2.174 1.00 0.00 O ATOM 385 CB LEU A 27 5.284 2.705 3.372 1.00 0.00 C ATOM 386 CG LEU A 27 6.269 2.415 4.511 1.00 0.00 C ATOM 387 CD1 LEU A 27 7.320 3.526 4.588 1.00 0.00 C ATOM 388 CD2 LEU A 27 5.511 2.319 5.838 1.00 0.00 C ATOM 0 H LEU A 27 4.202 3.056 1.137 1.00 0.00 H new ATOM 0 HA LEU A 27 6.825 3.365 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.848 3.697 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.461 1.990 3.391 1.00 0.00 H new ATOM 0 HG LEU A 27 6.771 1.467 4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.016 3.313 5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.866 3.577 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.828 4.480 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.214 2.113 6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.000 3.262 6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.778 1.514 5.781 1.00 0.00 H new ATOM 400 N TYR A 28 5.787 0.246 1.544 1.00 0.00 N ATOM 401 CA TYR A 28 6.217 -1.133 1.401 1.00 0.00 C ATOM 402 C TYR A 28 7.264 -1.170 0.322 1.00 0.00 C ATOM 403 O TYR A 28 8.258 -1.879 0.421 1.00 0.00 O ATOM 404 CB TYR A 28 5.022 -2.038 1.077 1.00 0.00 C ATOM 405 CG TYR A 28 5.428 -3.493 1.133 1.00 0.00 C ATOM 406 CD1 TYR A 28 5.379 -4.182 2.350 1.00 0.00 C ATOM 407 CD2 TYR A 28 5.833 -4.158 -0.031 1.00 0.00 C ATOM 408 CE1 TYR A 28 5.732 -5.536 2.404 1.00 0.00 C ATOM 409 CE2 TYR A 28 6.188 -5.511 0.025 1.00 0.00 C ATOM 410 CZ TYR A 28 6.135 -6.200 1.242 1.00 0.00 C ATOM 411 OH TYR A 28 6.483 -7.534 1.296 1.00 0.00 O ATOM 0 H TYR A 28 4.801 0.401 1.333 1.00 0.00 H new ATOM 0 HA TYR A 28 6.642 -1.509 2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.215 -1.852 1.786 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.637 -1.800 0.086 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.069 -3.669 3.248 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.871 -3.628 -0.971 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.693 -6.067 3.344 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.503 -6.024 -0.872 1.00 0.00 H new ATOM 0 HH TYR A 28 5.978 -7.975 2.010 1.00 0.00 H new ATOM 421 N GLU A 29 7.045 -0.382 -0.711 1.00 0.00 N ATOM 422 CA GLU A 29 8.023 -0.347 -1.768 1.00 0.00 C ATOM 423 C GLU A 29 9.324 0.100 -1.142 1.00 0.00 C ATOM 424 O GLU A 29 10.364 -0.474 -1.414 1.00 0.00 O ATOM 425 CB GLU A 29 7.596 0.605 -2.871 1.00 0.00 C ATOM 426 CG GLU A 29 6.418 -0.032 -3.571 1.00 0.00 C ATOM 427 CD GLU A 29 5.766 0.954 -4.532 1.00 0.00 C ATOM 428 OE1 GLU A 29 6.073 2.130 -4.439 1.00 0.00 O ATOM 429 OE2 GLU A 29 4.967 0.519 -5.345 1.00 0.00 O ATOM 0 H GLU A 29 6.231 0.219 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 29 8.132 -1.329 -2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.321 1.575 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.414 0.777 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.747 -0.916 -4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.688 -0.366 -2.834 1.00 0.00 H new ATOM 436 N LEU A 30 9.296 1.111 -0.281 1.00 0.00 N ATOM 437 CA LEU A 30 10.531 1.517 0.345 1.00 0.00 C ATOM 438 C LEU A 30 11.060 0.360 1.178 1.00 0.00 C ATOM 439 O LEU A 30 12.251 0.051 1.159 1.00 0.00 O ATOM 440 CB LEU A 30 10.294 2.740 1.237 1.00 0.00 C ATOM 441 CG LEU A 30 11.604 3.157 1.913 1.00 0.00 C ATOM 442 CD1 LEU A 30 12.637 3.548 0.855 1.00 0.00 C ATOM 443 CD2 LEU A 30 11.339 4.353 2.832 1.00 0.00 C ATOM 0 H LEU A 30 8.466 1.640 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 30 11.259 1.785 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.904 3.565 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.543 2.509 1.992 1.00 0.00 H new ATOM 0 HG LEU A 30 11.990 2.321 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.565 3.843 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.827 2.698 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.256 4.382 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.269 4.653 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.951 5.185 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.609 4.073 3.592 1.00 0.00 H new ATOM 455 N LYS A 31 10.148 -0.280 1.910 1.00 0.00 N ATOM 456 CA LYS A 31 10.515 -1.412 2.752 1.00 0.00 C ATOM 457 C LYS A 31 11.350 -2.410 1.968 1.00 0.00 C ATOM 458 O LYS A 31 12.401 -2.854 2.431 1.00 0.00 O ATOM 459 CB LYS A 31 9.274 -2.103 3.328 1.00 0.00 C ATOM 460 CG LYS A 31 9.712 -3.265 4.223 1.00 0.00 C ATOM 461 CD LYS A 31 8.481 -3.944 4.825 1.00 0.00 C ATOM 462 CE LYS A 31 8.926 -5.109 5.714 1.00 0.00 C ATOM 463 NZ LYS A 31 7.729 -5.765 6.309 1.00 0.00 N ATOM 0 H LYS A 31 9.158 -0.034 1.935 1.00 0.00 H new ATOM 0 HA LYS A 31 11.107 -1.029 3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.680 -1.391 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.640 -2.470 2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.290 -3.985 3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.363 -2.900 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.905 -3.226 5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.828 -4.307 4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.496 -5.830 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.585 -4.747 6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.031 -6.556 6.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.203 -5.074 6.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.116 -6.124 5.549 1.00 0.00 H new ATOM 477 N ASN A 32 10.869 -2.771 0.777 1.00 0.00 N ATOM 478 CA ASN A 32 11.603 -3.747 -0.052 1.00 0.00 C ATOM 479 C ASN A 32 12.236 -3.104 -1.285 1.00 0.00 C ATOM 480 O ASN A 32 13.463 -3.043 -1.391 1.00 0.00 O ATOM 481 CB ASN A 32 10.668 -4.876 -0.478 1.00 0.00 C ATOM 482 CG ASN A 32 10.067 -5.532 0.759 1.00 0.00 C ATOM 483 OD1 ASN A 32 8.853 -5.531 0.934 1.00 0.00 O ATOM 484 ND2 ASN A 32 10.854 -6.096 1.633 1.00 0.00 N ATOM 0 H ASN A 32 10.003 -2.419 0.369 1.00 0.00 H new ATOM 0 HA ASN A 32 12.413 -4.146 0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.876 -4.485 -1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 32 11.215 -5.614 -1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.460 -6.537 2.464 1.00 0.00 H new ATOM 0 HD22 ASN A 32 11.863 -6.096 1.485 1.00 0.00 H new ATOM 491 N THR A 33 11.392 -2.626 -2.197 1.00 0.00 N ATOM 492 CA THR A 33 11.838 -1.960 -3.430 1.00 0.00 C ATOM 493 C THR A 33 12.282 -2.955 -4.507 1.00 0.00 C ATOM 494 O THR A 33 12.065 -2.715 -5.694 1.00 0.00 O ATOM 495 CB THR A 33 12.974 -0.972 -3.142 1.00 0.00 C ATOM 496 OG1 THR A 33 12.848 -0.482 -1.814 1.00 0.00 O ATOM 497 CG2 THR A 33 12.904 0.194 -4.128 1.00 0.00 C ATOM 0 H THR A 33 10.378 -2.687 -2.107 1.00 0.00 H new ATOM 0 HA THR A 33 10.974 -1.417 -3.814 1.00 0.00 H new ATOM 0 HB THR A 33 13.933 -1.479 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.922 -0.202 -1.655 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.713 0.895 -3.921 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.003 -0.184 -5.146 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.946 0.704 -4.022 1.00 0.00 H new ATOM 505 N ASN A 34 12.888 -4.072 -4.107 1.00 0.00 N ATOM 506 CA ASN A 34 13.323 -5.065 -5.084 1.00 0.00 C ATOM 507 C ASN A 34 12.103 -5.572 -5.838 1.00 0.00 C ATOM 508 O ASN A 34 12.134 -5.772 -7.053 1.00 0.00 O ATOM 509 CB ASN A 34 14.023 -6.231 -4.383 1.00 0.00 C ATOM 510 CG ASN A 34 15.383 -5.784 -3.859 1.00 0.00 C ATOM 511 OD1 ASN A 34 15.931 -4.786 -4.327 1.00 0.00 O ATOM 512 ND2 ASN A 34 15.962 -6.466 -2.910 1.00 0.00 N ATOM 0 H ASN A 34 13.085 -4.308 -3.134 1.00 0.00 H new ATOM 0 HA ASN A 34 14.029 -4.609 -5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.408 -6.593 -3.559 1.00 0.00 H new ATOM 0 HB3 ASN A 34 14.147 -7.062 -5.077 1.00 0.00 H new ATOM 0 HD21 ASN A 34 16.872 -6.173 -2.553 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.505 -7.292 -2.524 1.00 0.00 H new ATOM 519 N GLU A 35 11.023 -5.743 -5.093 1.00 0.00 N ATOM 520 CA GLU A 35 9.760 -6.193 -5.658 1.00 0.00 C ATOM 521 C GLU A 35 8.732 -5.102 -5.442 1.00 0.00 C ATOM 522 O GLU A 35 8.862 -4.312 -4.507 1.00 0.00 O ATOM 523 CB GLU A 35 9.274 -7.457 -4.954 1.00 0.00 C ATOM 524 CG GLU A 35 10.371 -8.525 -4.993 1.00 0.00 C ATOM 525 CD GLU A 35 10.604 -8.979 -6.430 1.00 0.00 C ATOM 526 OE1 GLU A 35 11.445 -8.390 -7.087 1.00 0.00 O ATOM 527 OE2 GLU A 35 9.937 -9.909 -6.851 1.00 0.00 O ATOM 0 H GLU A 35 10.996 -5.575 -4.087 1.00 0.00 H new ATOM 0 HA GLU A 35 9.898 -6.408 -6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.010 -7.231 -3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.372 -7.831 -5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.295 -8.125 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.084 -9.376 -4.376 1.00 0.00 H new ATOM 534 N LYS A 36 7.712 -5.035 -6.283 1.00 0.00 N ATOM 535 CA LYS A 36 6.730 -4.007 -6.090 1.00 0.00 C ATOM 536 C LYS A 36 5.670 -4.488 -5.144 1.00 0.00 C ATOM 537 O LYS A 36 5.136 -5.589 -5.289 1.00 0.00 O ATOM 538 CB LYS A 36 6.068 -3.612 -7.397 1.00 0.00 C ATOM 539 CG LYS A 36 7.081 -2.909 -8.301 1.00 0.00 C ATOM 540 CD LYS A 36 6.400 -2.512 -9.611 1.00 0.00 C ATOM 541 CE LYS A 36 7.410 -1.804 -10.518 1.00 0.00 C ATOM 542 NZ LYS A 36 6.748 -1.426 -11.798 1.00 0.00 N ATOM 0 H LYS A 36 7.554 -5.659 -7.074 1.00 0.00 H new ATOM 0 HA LYS A 36 7.244 -3.137 -5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.674 -4.497 -7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.222 -2.953 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.479 -2.025 -7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.925 -3.568 -8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.005 -3.397 -10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.554 -1.855 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.800 -0.915 -10.022 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.259 -2.458 -10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.434 -0.945 -12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.396 -2.282 -12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.951 -0.787 -11.601 1.00 0.00 H new ATOM 556 N ALA A 37 5.414 -3.655 -4.158 1.00 0.00 N ATOM 557 CA ALA A 37 4.444 -3.977 -3.141 1.00 0.00 C ATOM 558 C ALA A 37 3.203 -4.523 -3.799 1.00 0.00 C ATOM 559 O ALA A 37 2.815 -4.067 -4.868 1.00 0.00 O ATOM 560 CB ALA A 37 4.070 -2.730 -2.333 1.00 0.00 C ATOM 0 H ALA A 37 5.867 -2.748 -4.042 1.00 0.00 H new ATOM 0 HA ALA A 37 4.877 -4.717 -2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.337 -2.996 -1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.962 -2.326 -1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.645 -1.979 -2.999 1.00 0.00 H new ATOM 566 N SER A 38 2.580 -5.500 -3.163 1.00 0.00 N ATOM 567 CA SER A 38 1.377 -6.080 -3.723 1.00 0.00 C ATOM 568 C SER A 38 0.286 -5.932 -2.688 1.00 0.00 C ATOM 569 O SER A 38 0.582 -5.938 -1.506 1.00 0.00 O ATOM 570 CB SER A 38 1.586 -7.543 -4.023 1.00 0.00 C ATOM 571 OG SER A 38 2.780 -7.707 -4.777 1.00 0.00 O ATOM 0 H SER A 38 2.882 -5.901 -2.275 1.00 0.00 H new ATOM 0 HA SER A 38 1.113 -5.577 -4.653 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.649 -8.110 -3.094 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.735 -7.936 -4.579 1.00 0.00 H new ATOM 0 HG SER A 38 2.573 -7.656 -5.733 1.00 0.00 H new ATOM 577 N LEU A 39 -0.956 -5.765 -3.107 1.00 0.00 N ATOM 578 CA LEU A 39 -2.017 -5.570 -2.133 1.00 0.00 C ATOM 579 C LEU A 39 -1.984 -6.729 -1.146 1.00 0.00 C ATOM 580 O LEU A 39 -1.974 -6.526 0.068 1.00 0.00 O ATOM 581 CB LEU A 39 -3.342 -5.526 -2.881 1.00 0.00 C ATOM 582 CG LEU A 39 -4.452 -4.980 -1.994 1.00 0.00 C ATOM 583 CD1 LEU A 39 -5.495 -4.338 -2.902 1.00 0.00 C ATOM 584 CD2 LEU A 39 -5.082 -6.133 -1.209 1.00 0.00 C ATOM 0 H LEU A 39 -1.250 -5.760 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.889 -4.639 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.242 -4.902 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.604 -6.527 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.063 -4.247 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.307 -3.936 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.034 -3.532 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.891 -5.087 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.878 -5.747 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.496 -6.863 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.322 -6.611 -0.591 1.00 0.00 H new ATOM 596 N SER A 40 -1.956 -7.943 -1.674 1.00 0.00 N ATOM 597 CA SER A 40 -1.914 -9.126 -0.830 1.00 0.00 C ATOM 598 C SER A 40 -0.665 -9.082 0.050 1.00 0.00 C ATOM 599 O SER A 40 -0.706 -9.454 1.212 1.00 0.00 O ATOM 600 CB SER A 40 -1.894 -10.388 -1.692 1.00 0.00 C ATOM 601 OG SER A 40 -3.127 -10.499 -2.391 1.00 0.00 O ATOM 0 H SER A 40 -1.962 -8.134 -2.676 1.00 0.00 H new ATOM 0 HA SER A 40 -2.803 -9.145 -0.199 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.065 -10.347 -2.398 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.737 -11.267 -1.067 1.00 0.00 H new ATOM 0 HG SER A 40 -3.117 -11.307 -2.946 1.00 0.00 H new ATOM 607 N LYS A 41 0.439 -8.617 -0.511 1.00 0.00 N ATOM 608 CA LYS A 41 1.682 -8.506 0.249 1.00 0.00 C ATOM 609 C LYS A 41 1.574 -7.481 1.362 1.00 0.00 C ATOM 610 O LYS A 41 2.136 -7.660 2.436 1.00 0.00 O ATOM 611 CB LYS A 41 2.865 -8.146 -0.647 1.00 0.00 C ATOM 612 CG LYS A 41 3.265 -9.346 -1.506 1.00 0.00 C ATOM 613 CD LYS A 41 4.382 -8.924 -2.466 1.00 0.00 C ATOM 614 CE LYS A 41 5.669 -8.668 -1.679 1.00 0.00 C ATOM 615 NZ LYS A 41 6.776 -8.358 -2.627 1.00 0.00 N ATOM 0 H LYS A 41 0.505 -8.311 -1.482 1.00 0.00 H new ATOM 0 HA LYS A 41 1.855 -9.489 0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.602 -7.304 -1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.710 -7.830 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.603 -10.166 -0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.405 -9.711 -2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.548 -9.703 -3.210 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.090 -8.024 -3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.526 -7.839 -0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.922 -9.543 -1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.651 -8.184 -2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.917 -9.162 -3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.533 -7.511 -3.179 1.00 0.00 H new ATOM 629 N LEU A 42 0.885 -6.389 1.079 1.00 0.00 N ATOM 630 CA LEU A 42 0.748 -5.332 2.032 1.00 0.00 C ATOM 631 C LEU A 42 -0.016 -5.839 3.200 1.00 0.00 C ATOM 632 O LEU A 42 0.226 -5.455 4.345 1.00 0.00 O ATOM 633 CB LEU A 42 -0.020 -4.151 1.439 1.00 0.00 C ATOM 634 CG LEU A 42 0.792 -3.427 0.373 1.00 0.00 C ATOM 635 CD1 LEU A 42 -0.120 -2.410 -0.306 1.00 0.00 C ATOM 636 CD2 LEU A 42 1.956 -2.683 1.017 1.00 0.00 C ATOM 0 H LEU A 42 0.415 -6.223 0.189 1.00 0.00 H new ATOM 0 HA LEU A 42 1.745 -4.999 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.955 -4.506 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.282 -3.452 2.233 1.00 0.00 H new ATOM 0 HG LEU A 42 1.182 -4.148 -0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.439 -1.877 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.964 -2.926 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.487 -1.699 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.530 -2.169 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.572 -1.954 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.600 -3.394 1.536 1.00 0.00 H new ATOM 648 N VAL A 43 -1.007 -6.651 2.911 1.00 0.00 N ATOM 649 CA VAL A 43 -1.832 -7.127 3.960 1.00 0.00 C ATOM 650 C VAL A 43 -1.196 -8.291 4.654 1.00 0.00 C ATOM 651 O VAL A 43 -1.318 -8.436 5.871 1.00 0.00 O ATOM 652 CB VAL A 43 -3.207 -7.439 3.410 1.00 0.00 C ATOM 653 CG1 VAL A 43 -3.358 -8.921 3.069 1.00 0.00 C ATOM 654 CG2 VAL A 43 -4.278 -7.027 4.419 1.00 0.00 C ATOM 0 H VAL A 43 -1.246 -6.981 1.976 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.949 -6.356 4.722 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.332 -6.870 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.359 -9.104 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.618 -9.199 2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.205 -9.519 3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.265 -7.255 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.131 -7.575 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.203 -5.957 4.612 1.00 0.00 H new ATOM 664 N SER A 44 -0.491 -9.121 3.896 1.00 0.00 N ATOM 665 CA SER A 44 0.155 -10.226 4.534 1.00 0.00 C ATOM 666 C SER A 44 1.117 -9.610 5.524 1.00 0.00 C ATOM 667 O SER A 44 1.049 -9.869 6.726 1.00 0.00 O ATOM 668 CB SER A 44 0.897 -11.098 3.520 1.00 0.00 C ATOM 669 OG SER A 44 1.534 -12.172 4.201 1.00 0.00 O ATOM 0 H SER A 44 -0.363 -9.046 2.887 1.00 0.00 H new ATOM 0 HA SER A 44 -0.565 -10.882 5.022 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.200 -11.486 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.636 -10.503 2.983 1.00 0.00 H new ATOM 0 HG SER A 44 2.009 -12.734 3.554 1.00 0.00 H new ATOM 675 N SER A 45 1.912 -8.671 4.991 1.00 0.00 N ATOM 676 CA SER A 45 2.814 -7.791 5.770 1.00 0.00 C ATOM 677 C SER A 45 2.083 -7.021 6.903 1.00 0.00 C ATOM 678 O SER A 45 2.644 -6.066 7.437 1.00 0.00 O ATOM 679 CB SER A 45 3.544 -6.805 4.854 1.00 0.00 C ATOM 680 OG SER A 45 2.609 -5.960 4.215 1.00 0.00 O ATOM 0 H SER A 45 1.951 -8.494 3.987 1.00 0.00 H new ATOM 0 HA SER A 45 3.541 -8.449 6.246 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.249 -6.209 5.434 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.125 -7.349 4.109 1.00 0.00 H new ATOM 0 HG SER A 45 1.836 -5.825 4.802 1.00 0.00 H new ATOM 686 N GLY A 46 0.815 -7.376 7.169 1.00 0.00 N ATOM 687 CA GLY A 46 -0.087 -6.681 8.084 1.00 0.00 C ATOM 688 C GLY A 46 0.178 -5.182 8.223 1.00 0.00 C ATOM 689 O GLY A 46 -0.150 -4.582 9.248 1.00 0.00 O ATOM 0 H GLY A 46 0.379 -8.188 6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.112 -6.825 7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.011 -7.143 9.068 1.00 0.00 H new ATOM 693 N ASN A 47 0.684 -4.559 7.151 1.00 0.00 N ATOM 694 CA ASN A 47 0.876 -3.118 7.142 1.00 0.00 C ATOM 695 C ASN A 47 -0.525 -2.538 7.201 1.00 0.00 C ATOM 696 O ASN A 47 -0.835 -1.605 7.942 1.00 0.00 O ATOM 697 CB ASN A 47 1.574 -2.707 5.833 1.00 0.00 C ATOM 698 CG ASN A 47 2.227 -1.342 5.989 1.00 0.00 C ATOM 699 OD1 ASN A 47 2.622 -0.965 7.093 1.00 0.00 O ATOM 700 ND2 ASN A 47 2.397 -0.587 4.941 1.00 0.00 N ATOM 0 H ASN A 47 0.963 -5.031 6.291 1.00 0.00 H new ATOM 0 HA ASN A 47 1.494 -2.767 7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.326 -3.449 5.565 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.849 -2.680 5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.858 0.318 5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.069 -0.901 4.028 1.00 0.00 H new ATOM 707 N ILE A 48 -1.357 -3.189 6.401 1.00 0.00 N ATOM 708 CA ILE A 48 -2.765 -2.896 6.275 1.00 0.00 C ATOM 709 C ILE A 48 -3.532 -4.201 6.446 1.00 0.00 C ATOM 710 O ILE A 48 -2.933 -5.277 6.426 1.00 0.00 O ATOM 711 CB ILE A 48 -3.045 -2.278 4.907 1.00 0.00 C ATOM 712 CG1 ILE A 48 -2.530 -3.221 3.821 1.00 0.00 C ATOM 713 CG2 ILE A 48 -2.330 -0.932 4.797 1.00 0.00 C ATOM 714 CD1 ILE A 48 -3.024 -2.749 2.453 1.00 0.00 C ATOM 0 H ILE A 48 -1.054 -3.960 5.805 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.080 -2.181 7.035 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.117 -2.125 4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.440 -3.248 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.876 -4.236 4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.531 -0.492 3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.692 -0.263 5.578 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.256 -1.080 4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.655 -3.424 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.114 -2.745 2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.656 -1.741 2.261 1.00 0.00 H new ATOM 726 N SER A 49 -4.836 -4.115 6.631 1.00 0.00 N ATOM 727 CA SER A 49 -5.633 -5.310 6.820 1.00 0.00 C ATOM 728 C SER A 49 -6.679 -5.436 5.734 1.00 0.00 C ATOM 729 O SER A 49 -7.043 -4.443 5.107 1.00 0.00 O ATOM 730 CB SER A 49 -6.320 -5.264 8.185 1.00 0.00 C ATOM 731 OG SER A 49 -5.333 -5.231 9.208 1.00 0.00 O ATOM 0 H SER A 49 -5.360 -3.240 6.654 1.00 0.00 H new ATOM 0 HA SER A 49 -4.971 -6.175 6.770 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.960 -4.384 8.253 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.962 -6.136 8.311 1.00 0.00 H new ATOM 0 HG SER A 49 -5.771 -5.200 10.084 1.00 0.00 H new ATOM 737 N GLN A 50 -7.124 -6.678 5.511 1.00 0.00 N ATOM 738 CA GLN A 50 -8.140 -7.046 4.491 1.00 0.00 C ATOM 739 C GLN A 50 -9.443 -6.200 4.536 1.00 0.00 C ATOM 740 O GLN A 50 -10.375 -6.432 3.767 1.00 0.00 O ATOM 741 CB GLN A 50 -8.538 -8.475 4.748 1.00 0.00 C ATOM 742 CG GLN A 50 -9.015 -9.119 3.457 1.00 0.00 C ATOM 743 CD GLN A 50 -7.824 -9.458 2.567 1.00 0.00 C ATOM 744 OE1 GLN A 50 -6.676 -9.362 3.004 1.00 0.00 O ATOM 745 NE2 GLN A 50 -8.028 -9.851 1.341 1.00 0.00 N ATOM 0 H GLN A 50 -6.786 -7.481 6.042 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.680 -6.873 3.518 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.691 -9.031 5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.329 -8.512 5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.581 -10.024 3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.690 -8.443 2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.980 -9.929 0.982 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.236 -10.080 0.740 1.00 0.00 H new ATOM 754 N LYS A 51 -9.444 -5.193 5.372 1.00 0.00 N ATOM 755 CA LYS A 51 -10.541 -4.267 5.474 1.00 0.00 C ATOM 756 C LYS A 51 -10.302 -3.267 4.375 1.00 0.00 C ATOM 757 O LYS A 51 -11.131 -3.006 3.494 1.00 0.00 O ATOM 758 CB LYS A 51 -10.466 -3.535 6.814 1.00 0.00 C ATOM 759 CG LYS A 51 -10.241 -4.530 7.952 1.00 0.00 C ATOM 760 CD LYS A 51 -11.384 -5.552 7.998 1.00 0.00 C ATOM 761 CE LYS A 51 -11.164 -6.507 9.173 1.00 0.00 C ATOM 762 NZ LYS A 51 -12.262 -7.514 9.207 1.00 0.00 N ATOM 0 H LYS A 51 -8.673 -4.991 6.009 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.508 -4.765 5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.655 -2.807 6.793 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.388 -2.980 6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.290 -5.044 7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.180 -3.999 8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.340 -5.040 8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.425 -6.111 7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.201 -7.007 9.074 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.139 -5.949 10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.113 -8.163 10.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.175 -7.029 9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.266 -8.054 8.318 1.00 0.00 H new ATOM 776 N GLN A 52 -9.086 -2.762 4.452 1.00 0.00 N ATOM 777 CA GLN A 52 -8.556 -1.815 3.520 1.00 0.00 C ATOM 778 C GLN A 52 -7.970 -2.530 2.318 1.00 0.00 C ATOM 779 O GLN A 52 -7.961 -1.987 1.214 1.00 0.00 O ATOM 780 CB GLN A 52 -7.458 -1.023 4.225 1.00 0.00 C ATOM 781 CG GLN A 52 -8.003 0.327 4.689 1.00 0.00 C ATOM 782 CD GLN A 52 -7.176 0.853 5.867 1.00 0.00 C ATOM 783 OE1 GLN A 52 -5.969 1.322 5.673 1.00 0.00 O flip ATOM 784 NE2 GLN A 52 -7.647 0.834 7.003 1.00 0.00 N flip ATOM 0 H GLN A 52 -8.429 -3.014 5.190 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.349 -1.152 3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.083 -1.586 5.080 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.616 -0.872 3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.974 1.042 3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.047 0.224 4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.587 0.470 7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.098 1.183 7.789 1.00 0.00 H new ATOM 793 N ALA A 53 -7.480 -3.760 2.519 1.00 0.00 N ATOM 794 CA ALA A 53 -6.920 -4.466 1.392 1.00 0.00 C ATOM 795 C ALA A 53 -8.015 -4.755 0.375 1.00 0.00 C ATOM 796 O ALA A 53 -7.851 -4.498 -0.811 1.00 0.00 O ATOM 797 CB ALA A 53 -6.235 -5.759 1.844 1.00 0.00 C ATOM 0 H ALA A 53 -7.464 -4.256 3.410 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.161 -3.840 0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.821 -6.274 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.433 -5.521 2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.963 -6.404 2.335 1.00 0.00 H new ATOM 803 N ASP A 54 -9.129 -5.315 0.826 1.00 0.00 N ATOM 804 CA ASP A 54 -10.174 -5.637 -0.143 1.00 0.00 C ATOM 805 C ASP A 54 -10.679 -4.419 -0.854 1.00 0.00 C ATOM 806 O ASP A 54 -10.791 -4.438 -2.080 1.00 0.00 O ATOM 807 CB ASP A 54 -11.340 -6.347 0.529 1.00 0.00 C ATOM 808 CG ASP A 54 -10.944 -7.766 0.910 1.00 0.00 C ATOM 809 OD1 ASP A 54 -9.913 -8.217 0.441 1.00 0.00 O ATOM 810 OD2 ASP A 54 -11.677 -8.382 1.666 1.00 0.00 O ATOM 0 H ASP A 54 -9.330 -5.546 1.799 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.720 -6.300 -0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.646 -5.796 1.418 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.198 -6.369 -0.143 1.00 0.00 H new ATOM 815 N SER A 55 -11.071 -3.384 -0.145 1.00 0.00 N ATOM 816 CA SER A 55 -11.641 -2.261 -0.830 1.00 0.00 C ATOM 817 C SER A 55 -10.706 -1.700 -1.883 1.00 0.00 C ATOM 818 O SER A 55 -11.177 -1.328 -2.969 1.00 0.00 O ATOM 819 CB SER A 55 -12.022 -1.180 0.181 1.00 0.00 C ATOM 820 OG SER A 55 -13.091 -1.652 0.990 1.00 0.00 O ATOM 0 H SER A 55 -11.007 -3.301 0.870 1.00 0.00 H new ATOM 0 HA SER A 55 -12.535 -2.605 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.163 -0.928 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.318 -0.268 -0.338 1.00 0.00 H new ATOM 0 HG SER A 55 -13.338 -0.962 1.641 1.00 0.00 H new ATOM 826 N TYR A 56 -9.396 -1.639 -1.657 1.00 0.00 N ATOM 827 CA TYR A 56 -8.555 -1.114 -2.721 1.00 0.00 C ATOM 828 C TYR A 56 -8.468 -2.125 -3.847 1.00 0.00 C ATOM 829 O TYR A 56 -8.421 -1.771 -5.021 1.00 0.00 O ATOM 830 CB TYR A 56 -7.144 -0.796 -2.251 1.00 0.00 C ATOM 831 CG TYR A 56 -6.524 0.103 -3.293 1.00 0.00 C ATOM 832 CD1 TYR A 56 -6.530 1.493 -3.112 1.00 0.00 C ATOM 833 CD2 TYR A 56 -5.993 -0.443 -4.463 1.00 0.00 C ATOM 834 CE1 TYR A 56 -5.996 2.331 -4.101 1.00 0.00 C ATOM 835 CE2 TYR A 56 -5.457 0.396 -5.446 1.00 0.00 C ATOM 836 CZ TYR A 56 -5.460 1.782 -5.266 1.00 0.00 C ATOM 837 OH TYR A 56 -4.934 2.605 -6.240 1.00 0.00 O ATOM 0 H TYR A 56 -8.919 -1.927 -0.802 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.016 -0.186 -3.059 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.163 -0.303 -1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.561 -1.710 -2.134 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.946 1.918 -2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.996 -1.513 -4.609 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.000 3.402 -3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.040 -0.029 -6.347 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.555 2.654 -6.997 1.00 0.00 H new ATOM 847 N LYS A 57 -8.372 -3.394 -3.471 1.00 0.00 N ATOM 848 CA LYS A 57 -8.203 -4.454 -4.446 1.00 0.00 C ATOM 849 C LYS A 57 -9.230 -4.340 -5.524 1.00 0.00 C ATOM 850 O LYS A 57 -8.910 -4.529 -6.697 1.00 0.00 O ATOM 851 CB LYS A 57 -8.335 -5.813 -3.772 1.00 0.00 C ATOM 852 CG LYS A 57 -8.120 -6.922 -4.805 1.00 0.00 C ATOM 853 CD LYS A 57 -8.219 -8.285 -4.117 1.00 0.00 C ATOM 854 CE LYS A 57 -8.062 -9.394 -5.158 1.00 0.00 C ATOM 855 NZ LYS A 57 -6.712 -9.305 -5.781 1.00 0.00 N ATOM 0 H LYS A 57 -8.408 -3.709 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.210 -4.359 -4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.604 -5.904 -2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.321 -5.911 -3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.866 -6.847 -5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.144 -6.811 -5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.446 -8.376 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.180 -8.380 -3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.194 -10.369 -4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.834 -9.301 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.471 -10.217 -6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.714 -8.561 -6.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.008 -9.074 -5.052 1.00 0.00 H new ATOM 869 N ALA A 58 -10.452 -4.014 -5.167 1.00 0.00 N ATOM 870 CA ALA A 58 -11.447 -3.873 -6.186 1.00 0.00 C ATOM 871 C ALA A 58 -10.947 -2.788 -7.130 1.00 0.00 C ATOM 872 O ALA A 58 -11.000 -2.969 -8.329 1.00 0.00 O ATOM 873 CB ALA A 58 -12.754 -3.490 -5.499 1.00 0.00 C ATOM 0 H ALA A 58 -10.767 -3.848 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.623 -4.784 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.538 -3.374 -6.247 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.038 -4.272 -4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.622 -2.550 -4.963 1.00 0.00 H new ATOM 879 N TYR A 59 -10.558 -1.631 -6.583 1.00 0.00 N ATOM 880 CA TYR A 59 -10.140 -0.512 -7.445 1.00 0.00 C ATOM 881 C TYR A 59 -9.192 -1.019 -8.551 1.00 0.00 C ATOM 882 O TYR A 59 -9.400 -0.703 -9.722 1.00 0.00 O ATOM 883 CB TYR A 59 -9.441 0.576 -6.621 1.00 0.00 C ATOM 884 CG TYR A 59 -9.017 1.703 -7.532 1.00 0.00 C ATOM 885 CD1 TYR A 59 -9.954 2.652 -7.955 1.00 0.00 C ATOM 886 CD2 TYR A 59 -7.685 1.799 -7.952 1.00 0.00 C ATOM 887 CE1 TYR A 59 -9.560 3.698 -8.797 1.00 0.00 C ATOM 888 CE2 TYR A 59 -7.290 2.846 -8.794 1.00 0.00 C ATOM 889 CZ TYR A 59 -8.228 3.795 -9.216 1.00 0.00 C ATOM 890 OH TYR A 59 -7.839 4.826 -10.047 1.00 0.00 O ATOM 0 H TYR A 59 -10.523 -1.444 -5.581 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.031 -0.083 -7.904 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.113 0.951 -5.849 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.572 0.159 -6.112 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.982 2.577 -7.632 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.962 1.066 -7.627 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.284 4.430 -9.123 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.262 2.921 -9.117 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.882 4.746 -10.241 1.00 0.00 H new ATOM 900 N TYR A 60 -8.221 -1.869 -8.210 1.00 0.00 N ATOM 901 CA TYR A 60 -7.366 -2.461 -9.227 1.00 0.00 C ATOM 902 C TYR A 60 -8.224 -3.252 -10.191 1.00 0.00 C ATOM 903 O TYR A 60 -8.096 -3.158 -11.411 1.00 0.00 O ATOM 904 CB TYR A 60 -6.362 -3.408 -8.576 1.00 0.00 C ATOM 905 CG TYR A 60 -5.773 -4.295 -9.643 1.00 0.00 C ATOM 906 CD1 TYR A 60 -4.837 -3.797 -10.545 1.00 0.00 C ATOM 907 CD2 TYR A 60 -6.193 -5.629 -9.732 1.00 0.00 C ATOM 908 CE1 TYR A 60 -4.314 -4.633 -11.541 1.00 0.00 C ATOM 909 CE2 TYR A 60 -5.668 -6.464 -10.724 1.00 0.00 C ATOM 910 CZ TYR A 60 -4.729 -5.965 -11.629 1.00 0.00 C ATOM 911 OH TYR A 60 -4.213 -6.786 -12.611 1.00 0.00 O ATOM 0 H TYR A 60 -8.013 -2.156 -7.253 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.832 -1.669 -9.753 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.575 -2.841 -8.079 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.852 -4.011 -7.811 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.514 -2.769 -10.477 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.923 -6.013 -9.034 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.589 -4.247 -12.242 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.989 -7.493 -10.790 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.606 -7.680 -12.530 1.00 0.00 H new ATOM 921 N GLY A 61 -9.090 -4.045 -9.594 1.00 0.00 N ATOM 922 CA GLY A 61 -10.000 -4.906 -10.316 1.00 0.00 C ATOM 923 C GLY A 61 -10.843 -4.158 -11.360 1.00 0.00 C ATOM 924 O GLY A 61 -10.976 -4.616 -12.496 1.00 0.00 O ATOM 0 H GLY A 61 -9.182 -4.109 -8.580 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.430 -5.690 -10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.665 -5.397 -9.606 1.00 0.00 H new ATOM 928 N LYS A 62 -11.423 -3.028 -10.969 1.00 0.00 N ATOM 929 CA LYS A 62 -12.264 -2.246 -11.872 1.00 0.00 C ATOM 930 C LYS A 62 -11.508 -1.813 -13.124 1.00 0.00 C ATOM 931 O LYS A 62 -12.019 -1.928 -14.237 1.00 0.00 O ATOM 932 CB LYS A 62 -12.787 -1.007 -11.140 1.00 0.00 C ATOM 933 CG LYS A 62 -13.688 -0.199 -12.077 1.00 0.00 C ATOM 934 CD LYS A 62 -14.239 1.019 -11.334 1.00 0.00 C ATOM 935 CE LYS A 62 -15.158 1.813 -12.264 1.00 0.00 C ATOM 936 NZ LYS A 62 -14.371 2.330 -13.420 1.00 0.00 N ATOM 0 H LYS A 62 -11.327 -2.632 -10.034 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.094 -2.880 -12.185 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.344 -1.305 -10.251 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.953 -0.393 -10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.124 0.121 -12.953 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.508 -0.821 -12.435 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.788 0.700 -10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.419 1.650 -10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.970 1.178 -12.618 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.614 2.641 -11.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.879 3.124 -13.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.440 2.655 -13.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.244 1.572 -14.120 1.00 0.00 H new ATOM 950 N HIS A 63 -10.299 -1.301 -12.935 1.00 0.00 N ATOM 951 CA HIS A 63 -9.497 -0.837 -14.060 1.00 0.00 C ATOM 952 C HIS A 63 -8.775 -1.990 -14.745 1.00 0.00 C ATOM 953 O HIS A 63 -8.336 -2.941 -14.099 1.00 0.00 O ATOM 954 CB HIS A 63 -8.477 0.198 -13.584 1.00 0.00 C ATOM 955 CG HIS A 63 -9.204 1.409 -13.066 1.00 0.00 C ATOM 956 ND1 HIS A 63 -9.856 2.294 -13.911 1.00 0.00 N ATOM 957 CD2 HIS A 63 -9.395 1.893 -11.796 1.00 0.00 C ATOM 958 CE1 HIS A 63 -10.403 3.256 -13.148 1.00 0.00 C ATOM 959 NE2 HIS A 63 -10.153 3.061 -11.851 1.00 0.00 N ATOM 0 H HIS A 63 -9.855 -1.197 -12.023 1.00 0.00 H new ATOM 0 HA HIS A 63 -10.172 -0.381 -14.784 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.849 -0.226 -12.801 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -7.817 0.479 -14.404 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -9.016 1.438 -10.893 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -10.975 4.086 -13.537 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -10.453 3.642 -11.068 1.00 0.00 H new ATOM 968 N SER A 64 -8.646 -1.882 -16.063 1.00 0.00 N ATOM 969 CA SER A 64 -7.964 -2.904 -16.845 1.00 0.00 C ATOM 970 C SER A 64 -6.890 -2.272 -17.713 1.00 0.00 C ATOM 971 O SER A 64 -6.982 -1.101 -18.081 1.00 0.00 O ATOM 972 CB SER A 64 -8.945 -3.651 -17.732 1.00 0.00 C ATOM 973 OG SER A 64 -9.906 -4.317 -16.922 1.00 0.00 O ATOM 0 H SER A 64 -9.004 -1.099 -16.610 1.00 0.00 H new ATOM 0 HA SER A 64 -7.507 -3.608 -16.150 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.443 -2.956 -18.408 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.414 -4.373 -18.352 1.00 0.00 H new ATOM 0 HG SER A 64 -10.540 -4.797 -17.495 1.00 0.00 H new ATOM 979 N GLY A 65 -5.861 -3.046 -18.020 1.00 0.00 N ATOM 980 CA GLY A 65 -4.762 -2.541 -18.825 1.00 0.00 C ATOM 981 C GLY A 65 -3.794 -1.749 -17.953 1.00 0.00 C ATOM 982 O GLY A 65 -2.794 -1.220 -18.438 1.00 0.00 O ATOM 0 H GLY A 65 -5.764 -4.018 -17.727 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.239 -3.370 -19.302 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.147 -1.906 -19.623 1.00 0.00 H new ATOM 986 N GLU A 66 -4.097 -1.675 -16.653 1.00 0.00 N ATOM 987 CA GLU A 66 -3.241 -0.952 -15.720 1.00 0.00 C ATOM 988 C GLU A 66 -3.352 -1.550 -14.322 1.00 0.00 C ATOM 989 O GLU A 66 -4.370 -2.145 -13.968 1.00 0.00 O ATOM 990 CB GLU A 66 -3.637 0.526 -15.683 1.00 0.00 C ATOM 991 CG GLU A 66 -5.062 0.661 -15.143 1.00 0.00 C ATOM 992 CD GLU A 66 -5.484 2.126 -15.155 1.00 0.00 C ATOM 993 OE1 GLU A 66 -4.684 2.950 -15.568 1.00 0.00 O ATOM 994 OE2 GLU A 66 -6.601 2.404 -14.751 1.00 0.00 O ATOM 0 H GLU A 66 -4.921 -2.103 -16.231 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.209 -1.039 -16.059 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.944 1.083 -15.053 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.574 0.955 -16.683 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.748 0.071 -15.751 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.115 0.266 -14.128 1.00 0.00 H new ATOM 1001 N THR A 67 -2.294 -1.394 -13.537 1.00 0.00 N ATOM 1002 CA THR A 67 -2.268 -1.928 -12.178 1.00 0.00 C ATOM 1003 C THR A 67 -1.859 -0.850 -11.182 1.00 0.00 C ATOM 1004 O THR A 67 -0.903 -0.124 -11.445 1.00 0.00 O ATOM 1005 CB THR A 67 -1.262 -3.083 -12.099 1.00 0.00 C ATOM 1006 OG1 THR A 67 -1.638 -4.108 -13.011 1.00 0.00 O ATOM 1007 CG2 THR A 67 -1.223 -3.647 -10.675 1.00 0.00 C ATOM 0 H THR A 67 -1.444 -0.904 -13.815 1.00 0.00 H new ATOM 0 HA THR A 67 -3.269 -2.281 -11.929 1.00 0.00 H new ATOM 0 HB THR A 67 -0.271 -2.711 -12.361 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.993 -4.844 -12.960 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.506 -4.467 -10.628 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.923 -2.862 -9.981 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.212 -4.014 -10.402 1.00 0.00 H new ATOM 1015 N GLN A 68 -2.593 -0.727 -10.058 1.00 0.00 N ATOM 1016 CA GLN A 68 -2.269 0.282 -9.039 1.00 0.00 C ATOM 1017 C GLN A 68 -0.741 0.401 -8.763 1.00 0.00 C ATOM 1018 O GLN A 68 0.084 -0.292 -9.356 1.00 0.00 O ATOM 1019 CB GLN A 68 -3.021 -0.039 -7.757 1.00 0.00 C ATOM 1020 CG GLN A 68 -2.564 -1.392 -7.280 1.00 0.00 C ATOM 1021 CD GLN A 68 -3.325 -1.842 -6.045 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -3.262 -1.216 -4.989 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -4.054 -2.898 -6.135 1.00 0.00 N ATOM 0 H GLN A 68 -3.403 -1.307 -9.838 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.583 1.251 -9.425 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.824 0.719 -6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -4.096 -0.040 -7.935 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.700 -2.123 -8.077 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.498 -1.358 -7.057 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.101 -3.412 -7.015 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.585 -3.221 -5.327 1.00 0.00 H new ATOM 1032 N THR A 69 -0.382 1.280 -7.830 1.00 0.00 N ATOM 1033 CA THR A 69 1.036 1.500 -7.469 1.00 0.00 C ATOM 1034 C THR A 69 1.674 0.263 -6.810 1.00 0.00 C ATOM 1035 O THR A 69 2.895 0.149 -6.724 1.00 0.00 O ATOM 1036 CB THR A 69 1.144 2.691 -6.515 1.00 0.00 C ATOM 1037 OG1 THR A 69 0.396 2.420 -5.338 1.00 0.00 O ATOM 1038 CG2 THR A 69 0.592 3.944 -7.195 1.00 0.00 C ATOM 0 H THR A 69 -1.043 1.854 -7.306 1.00 0.00 H new ATOM 0 HA THR A 69 1.578 1.699 -8.394 1.00 0.00 H new ATOM 0 HB THR A 69 2.189 2.854 -6.253 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.465 3.181 -4.724 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.670 4.792 -6.514 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.166 4.150 -8.098 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.454 3.784 -7.458 1.00 0.00 H new ATOM 1046 N VAL A 70 0.829 -0.640 -6.350 1.00 0.00 N ATOM 1047 CA VAL A 70 1.252 -1.881 -5.687 1.00 0.00 C ATOM 1048 C VAL A 70 0.628 -3.054 -6.470 1.00 0.00 C ATOM 1049 O VAL A 70 -0.584 -3.177 -6.540 1.00 0.00 O ATOM 1050 CB VAL A 70 0.788 -1.761 -4.203 1.00 0.00 C ATOM 1051 CG1 VAL A 70 -0.422 -0.823 -4.145 1.00 0.00 C ATOM 1052 CG2 VAL A 70 0.404 -3.106 -3.552 1.00 0.00 C ATOM 0 H VAL A 70 -0.184 -0.541 -6.422 1.00 0.00 H new ATOM 0 HA VAL A 70 2.328 -2.056 -5.679 1.00 0.00 H new ATOM 0 HB VAL A 70 1.637 -1.375 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.760 -0.728 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.140 0.158 -4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.228 -1.231 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.093 -2.936 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.417 -3.558 -4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.264 -3.775 -3.566 1.00 0.00 H new ATOM 1062 N ALA A 71 1.444 -3.901 -7.105 1.00 0.00 N ATOM 1063 CA ALA A 71 0.867 -4.963 -7.928 1.00 0.00 C ATOM 1064 C ALA A 71 0.561 -6.225 -7.150 1.00 0.00 C ATOM 1065 O ALA A 71 1.465 -6.908 -6.697 1.00 0.00 O ATOM 1066 CB ALA A 71 1.818 -5.298 -9.077 1.00 0.00 C ATOM 0 H ALA A 71 2.463 -3.876 -7.069 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.082 -4.583 -8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.385 -6.090 -9.688 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.975 -4.411 -9.690 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.773 -5.633 -8.673 1.00 0.00 H new ATOM 1072 N ASN A 72 -0.736 -6.533 -7.050 1.00 0.00 N ATOM 1073 CA ASN A 72 -1.203 -7.733 -6.354 1.00 0.00 C ATOM 1074 C ASN A 72 -0.309 -8.932 -6.659 1.00 0.00 C ATOM 1075 O ASN A 72 0.260 -8.963 -7.738 1.00 0.00 O ATOM 1076 CB ASN A 72 -2.632 -8.050 -6.792 1.00 0.00 C ATOM 1077 CG ASN A 72 -3.498 -6.800 -6.679 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -3.554 -6.179 -5.620 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -4.171 -6.389 -7.717 1.00 0.00 N ATOM 1080 OXT ASN A 72 -0.209 -9.803 -5.810 1.00 0.00 O ATOM 0 H ASN A 72 -1.484 -5.963 -7.445 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.169 -7.540 -5.282 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.635 -8.413 -7.820 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.044 -8.846 -6.171 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.747 -5.549 -7.652 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.122 -6.907 -8.594 1.00 0.00 H new TER 1087 ASN A 72