USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 677 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 NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 26 TYR OH : rot 30:sc= 0.0194 USER MOD Set 1.2: A 38 THR OG1 : rot 25:sc= 0.916 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0688 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -48:sc= 0.839 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -1.62! C(o=-1.6!,f=-4.6!) USER MOD Single : A 23 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 45:sc= 0.00588 USER MOD Single : A 27 GLN :FLIP amide:sc= -2.84! C(o=-6.3!,f=-2.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc=-0.00435 X(o=-0.0044,f=-0.16) USER MOD Single : A 33 SER OG : rot 180:sc= 0.121 USER MOD Single : A 34 LYS NZ :NH3+ 165:sc=-0.00823 (180deg=-0.157) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 37 SER OG : rot 17:sc= 1.15 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0213 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 1.03 K(o=1,f=-3.5!) USER MOD Single : A 46 ASN : amide:sc= -1.65 X(o=-1.7,f=-1.9) USER MOD Single : A 49 ASN : amide:sc= -0.0514 K(o=-0.051,f=-1.9) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -1.28 X(o=-1.3,f=-0.81) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0168 K(o=-0.017,f=-0.79) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -159:sc= -0.0795 (180deg=-0.529) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 34:sc= 0.388 USER MOD Single : A 87 SER OG : rot 14:sc= 0.698 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.429 -10.977 -65.366 1.00 0.00 N ATOM 2 CA GLY A 1 -12.124 -9.775 -66.120 1.00 0.00 C ATOM 3 C GLY A 1 -12.070 -8.539 -65.244 1.00 0.00 C ATOM 4 O GLY A 1 -11.961 -8.640 -64.022 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.780 -11.739 -65.650 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.317 -10.787 -64.350 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.409 -11.268 -65.558 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.167 -9.900 -66.626 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.878 -9.635 -66.895 1.00 0.00 H new ATOM 8 N SER A 2 -12.144 -7.368 -65.869 1.00 0.00 N ATOM 9 CA SER A 2 -12.097 -6.107 -65.139 1.00 0.00 C ATOM 10 C SER A 2 -13.292 -5.979 -64.199 1.00 0.00 C ATOM 11 O SER A 2 -14.434 -5.859 -64.642 1.00 0.00 O ATOM 12 CB SER A 2 -12.072 -4.929 -66.114 1.00 0.00 C ATOM 13 OG SER A 2 -12.154 -3.694 -65.425 1.00 0.00 O ATOM 0 H SER A 2 -12.237 -7.267 -66.880 1.00 0.00 H new ATOM 0 HA SER A 2 -11.185 -6.095 -64.543 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.155 -4.960 -66.703 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.903 -5.014 -66.814 1.00 0.00 H new ATOM 0 HG SER A 2 -12.135 -2.957 -66.071 1.00 0.00 H new ATOM 19 N SER A 3 -13.019 -6.005 -62.898 1.00 0.00 N ATOM 20 CA SER A 3 -14.072 -5.896 -61.895 1.00 0.00 C ATOM 21 C SER A 3 -13.484 -5.574 -60.524 1.00 0.00 C ATOM 22 O SER A 3 -12.390 -6.023 -60.185 1.00 0.00 O ATOM 23 CB SER A 3 -14.876 -7.195 -61.825 1.00 0.00 C ATOM 24 OG SER A 3 -15.965 -7.073 -60.926 1.00 0.00 O ATOM 0 H SER A 3 -12.079 -6.100 -62.514 1.00 0.00 H new ATOM 0 HA SER A 3 -14.736 -5.082 -62.187 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.247 -7.451 -62.818 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.227 -8.011 -61.507 1.00 0.00 H new ATOM 0 HG SER A 3 -16.464 -7.916 -60.900 1.00 0.00 H new ATOM 30 N GLY A 4 -14.220 -4.793 -59.740 1.00 0.00 N ATOM 31 CA GLY A 4 -13.756 -4.423 -58.415 1.00 0.00 C ATOM 32 C GLY A 4 -14.754 -4.779 -57.331 1.00 0.00 C ATOM 33 O GLY A 4 -15.010 -5.956 -57.076 1.00 0.00 O ATOM 0 H GLY A 4 -15.129 -4.410 -59.998 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.809 -4.924 -58.212 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.562 -3.351 -58.388 1.00 0.00 H new ATOM 37 N SER A 5 -15.318 -3.761 -56.690 1.00 0.00 N ATOM 38 CA SER A 5 -16.290 -3.972 -55.624 1.00 0.00 C ATOM 39 C SER A 5 -15.650 -4.691 -54.440 1.00 0.00 C ATOM 40 O SER A 5 -16.232 -5.614 -53.871 1.00 0.00 O ATOM 41 CB SER A 5 -17.480 -4.781 -56.143 1.00 0.00 C ATOM 42 OG SER A 5 -18.448 -4.973 -55.126 1.00 0.00 O ATOM 0 H SER A 5 -15.118 -2.781 -56.890 1.00 0.00 H new ATOM 0 HA SER A 5 -16.641 -2.996 -55.288 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.934 -4.264 -56.989 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.135 -5.748 -56.508 1.00 0.00 H new ATOM 0 HG SER A 5 -18.005 -5.274 -54.305 1.00 0.00 H new ATOM 48 N SER A 6 -14.446 -4.260 -54.075 1.00 0.00 N ATOM 49 CA SER A 6 -13.723 -4.864 -52.962 1.00 0.00 C ATOM 50 C SER A 6 -13.703 -3.930 -51.756 1.00 0.00 C ATOM 51 O SER A 6 -13.654 -2.709 -51.903 1.00 0.00 O ATOM 52 CB SER A 6 -12.292 -5.205 -53.381 1.00 0.00 C ATOM 53 OG SER A 6 -11.495 -4.037 -53.473 1.00 0.00 O ATOM 0 H SER A 6 -13.951 -3.495 -54.534 1.00 0.00 H new ATOM 0 HA SER A 6 -14.240 -5.781 -52.680 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.852 -5.893 -52.659 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.304 -5.718 -54.343 1.00 0.00 H new ATOM 0 HG SER A 6 -10.585 -4.282 -53.741 1.00 0.00 H new ATOM 59 N GLY A 7 -13.743 -4.513 -50.562 1.00 0.00 N ATOM 60 CA GLY A 7 -13.729 -3.719 -49.348 1.00 0.00 C ATOM 61 C GLY A 7 -13.000 -4.409 -48.212 1.00 0.00 C ATOM 62 O GLY A 7 -12.419 -5.480 -48.397 1.00 0.00 O ATOM 0 H GLY A 7 -13.785 -5.521 -50.414 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.254 -2.759 -49.551 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.754 -3.509 -49.043 1.00 0.00 H new ATOM 66 N LEU A 8 -13.027 -3.796 -47.034 1.00 0.00 N ATOM 67 CA LEU A 8 -12.362 -4.358 -45.863 1.00 0.00 C ATOM 68 C LEU A 8 -13.154 -4.062 -44.593 1.00 0.00 C ATOM 69 O LEU A 8 -13.435 -2.906 -44.278 1.00 0.00 O ATOM 70 CB LEU A 8 -10.946 -3.794 -45.737 1.00 0.00 C ATOM 71 CG LEU A 8 -9.947 -4.656 -44.965 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.533 -5.086 -43.629 1.00 0.00 C ATOM 73 CD2 LEU A 8 -9.542 -5.870 -45.788 1.00 0.00 C ATOM 0 H LEU A 8 -13.502 -2.910 -46.864 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.306 -5.439 -45.991 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.552 -3.627 -46.740 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.006 -2.820 -45.252 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.055 -4.060 -44.772 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.808 -5.699 -43.094 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.771 -4.204 -43.035 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.441 -5.664 -43.799 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.831 -6.472 -45.223 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.425 -6.468 -46.013 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.080 -5.541 -46.719 1.00 0.00 H new ATOM 85 N LYS A 9 -13.510 -5.116 -43.866 1.00 0.00 N ATOM 86 CA LYS A 9 -14.266 -4.971 -42.628 1.00 0.00 C ATOM 87 C LYS A 9 -13.371 -5.196 -41.414 1.00 0.00 C ATOM 88 O LYS A 9 -12.218 -5.607 -41.548 1.00 0.00 O ATOM 89 CB LYS A 9 -15.436 -5.958 -42.602 1.00 0.00 C ATOM 90 CG LYS A 9 -16.605 -5.539 -43.476 1.00 0.00 C ATOM 91 CD LYS A 9 -17.383 -6.742 -43.981 1.00 0.00 C ATOM 92 CE LYS A 9 -16.738 -7.344 -45.220 1.00 0.00 C ATOM 93 NZ LYS A 9 -17.723 -8.093 -46.049 1.00 0.00 N ATOM 0 H LYS A 9 -13.287 -6.080 -44.113 1.00 0.00 H new ATOM 0 HA LYS A 9 -14.655 -3.954 -42.587 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.082 -6.936 -42.927 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.783 -6.070 -41.575 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.269 -4.887 -42.909 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.238 -4.960 -44.323 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.439 -7.496 -43.196 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -18.406 -6.445 -44.210 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.289 -6.551 -45.818 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.931 -8.013 -44.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.245 -8.488 -46.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.133 -8.866 -45.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.480 -7.449 -46.356 1.00 0.00 H new ATOM 107 N ARG A 10 -13.909 -4.925 -40.229 1.00 0.00 N ATOM 108 CA ARG A 10 -13.158 -5.098 -38.991 1.00 0.00 C ATOM 109 C ARG A 10 -14.074 -5.553 -37.859 1.00 0.00 C ATOM 110 O ARG A 10 -15.031 -4.863 -37.506 1.00 0.00 O ATOM 111 CB ARG A 10 -12.462 -3.792 -38.605 1.00 0.00 C ATOM 112 CG ARG A 10 -11.199 -3.994 -37.784 1.00 0.00 C ATOM 113 CD ARG A 10 -10.365 -2.724 -37.723 1.00 0.00 C ATOM 114 NE ARG A 10 -9.071 -2.949 -37.085 1.00 0.00 N ATOM 115 CZ ARG A 10 -8.032 -2.132 -37.221 1.00 0.00 C ATOM 116 NH1 ARG A 10 -8.135 -1.042 -37.969 1.00 0.00 N ATOM 117 NH2 ARG A 10 -6.887 -2.405 -36.609 1.00 0.00 N ATOM 0 H ARG A 10 -14.862 -4.585 -40.100 1.00 0.00 H new ATOM 0 HA ARG A 10 -12.404 -5.868 -39.157 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.211 -3.242 -39.512 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.158 -3.173 -38.039 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.466 -4.304 -36.774 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.606 -4.799 -38.218 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.210 -2.343 -38.733 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.912 -1.957 -37.174 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.958 -3.779 -36.503 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.013 -0.829 -38.442 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.336 -0.417 -38.072 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.804 -3.243 -36.033 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.090 -1.777 -36.714 1.00 0.00 H new ATOM 131 N ASP A 11 -13.774 -6.718 -37.295 1.00 0.00 N ATOM 132 CA ASP A 11 -14.570 -7.265 -36.202 1.00 0.00 C ATOM 133 C ASP A 11 -13.780 -7.256 -34.897 1.00 0.00 C ATOM 134 O ASP A 11 -12.881 -8.073 -34.698 1.00 0.00 O ATOM 135 CB ASP A 11 -15.017 -8.690 -36.532 1.00 0.00 C ATOM 136 CG ASP A 11 -16.142 -8.723 -37.548 1.00 0.00 C ATOM 137 OD1 ASP A 11 -17.283 -8.369 -37.183 1.00 0.00 O ATOM 138 OD2 ASP A 11 -15.881 -9.101 -38.709 1.00 0.00 O ATOM 0 H ASP A 11 -12.986 -7.301 -37.576 1.00 0.00 H new ATOM 0 HA ASP A 11 -15.451 -6.636 -36.077 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.167 -9.254 -36.916 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -15.342 -9.187 -35.618 1.00 0.00 H new ATOM 143 N PHE A 12 -14.121 -6.326 -34.011 1.00 0.00 N ATOM 144 CA PHE A 12 -13.442 -6.209 -32.726 1.00 0.00 C ATOM 145 C PHE A 12 -14.377 -5.629 -31.668 1.00 0.00 C ATOM 146 O PHE A 12 -14.727 -4.450 -31.713 1.00 0.00 O ATOM 147 CB PHE A 12 -12.198 -5.328 -32.861 1.00 0.00 C ATOM 148 CG PHE A 12 -10.957 -6.095 -33.219 1.00 0.00 C ATOM 149 CD1 PHE A 12 -10.696 -6.440 -34.535 1.00 0.00 C ATOM 150 CD2 PHE A 12 -10.051 -6.470 -32.240 1.00 0.00 C ATOM 151 CE1 PHE A 12 -9.556 -7.147 -34.868 1.00 0.00 C ATOM 152 CE2 PHE A 12 -8.908 -7.176 -32.567 1.00 0.00 C ATOM 153 CZ PHE A 12 -8.660 -7.514 -33.883 1.00 0.00 C ATOM 0 H PHE A 12 -14.863 -5.643 -34.159 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.139 -7.208 -32.411 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.380 -4.570 -33.623 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.032 -4.801 -31.921 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.391 -6.153 -35.310 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.240 -6.208 -31.209 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.366 -7.412 -35.898 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.210 -7.463 -31.794 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.767 -8.064 -34.141 1.00 0.00 H new ATOM 163 N ILE A 13 -14.777 -6.468 -30.718 1.00 0.00 N ATOM 164 CA ILE A 13 -15.671 -6.039 -29.649 1.00 0.00 C ATOM 165 C ILE A 13 -15.001 -6.176 -28.286 1.00 0.00 C ATOM 166 O ILE A 13 -15.472 -5.620 -27.293 1.00 0.00 O ATOM 167 CB ILE A 13 -16.979 -6.852 -29.649 1.00 0.00 C ATOM 168 CG1 ILE A 13 -18.022 -6.181 -28.753 1.00 0.00 C ATOM 169 CG2 ILE A 13 -16.717 -8.278 -29.190 1.00 0.00 C ATOM 170 CD1 ILE A 13 -18.568 -4.890 -29.323 1.00 0.00 C ATOM 0 H ILE A 13 -14.497 -7.447 -30.667 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.905 -4.990 -29.834 1.00 0.00 H new ATOM 0 HB ILE A 13 -17.369 -6.885 -30.666 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -18.847 -6.874 -28.588 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -17.576 -5.979 -27.779 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -17.651 -8.839 -29.196 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.005 -8.752 -29.865 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -16.307 -8.266 -28.180 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -19.302 -4.470 -28.635 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -17.753 -4.180 -29.462 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -19.043 -5.089 -30.284 1.00 0.00 H new ATOM 182 N ILE A 14 -13.900 -6.918 -28.245 1.00 0.00 N ATOM 183 CA ILE A 14 -13.164 -7.125 -27.004 1.00 0.00 C ATOM 184 C ILE A 14 -14.113 -7.264 -25.819 1.00 0.00 C ATOM 185 O ILE A 14 -13.999 -6.539 -24.830 1.00 0.00 O ATOM 186 CB ILE A 14 -12.185 -5.968 -26.731 1.00 0.00 C ATOM 187 CG1 ILE A 14 -11.258 -5.760 -27.930 1.00 0.00 C ATOM 188 CG2 ILE A 14 -11.376 -6.244 -25.472 1.00 0.00 C ATOM 189 CD1 ILE A 14 -11.839 -4.852 -28.992 1.00 0.00 C ATOM 0 H ILE A 14 -13.498 -7.386 -29.057 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.598 -8.049 -27.123 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.760 -5.055 -26.578 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.314 -5.340 -27.581 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.031 -6.728 -28.376 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.689 -5.417 -25.293 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.050 -6.347 -24.622 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -10.809 -7.166 -25.599 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.128 -4.750 -29.812 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -12.768 -5.280 -29.369 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -12.040 -3.871 -28.562 1.00 0.00 H new ATOM 201 N LEU A 15 -15.049 -8.201 -25.924 1.00 0.00 N ATOM 202 CA LEU A 15 -16.018 -8.437 -24.860 1.00 0.00 C ATOM 203 C LEU A 15 -15.398 -9.255 -23.731 1.00 0.00 C ATOM 204 O LEU A 15 -14.689 -10.231 -23.974 1.00 0.00 O ATOM 205 CB LEU A 15 -17.246 -9.161 -25.413 1.00 0.00 C ATOM 206 CG LEU A 15 -17.085 -10.660 -25.667 1.00 0.00 C ATOM 207 CD1 LEU A 15 -17.402 -11.451 -24.407 1.00 0.00 C ATOM 208 CD2 LEU A 15 -17.976 -11.106 -26.817 1.00 0.00 C ATOM 0 H LEU A 15 -15.157 -8.810 -26.735 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.323 -7.470 -24.459 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.072 -9.018 -24.716 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.533 -8.683 -26.350 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.048 -10.853 -25.942 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.282 -12.516 -24.606 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -16.722 -11.152 -23.609 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -18.429 -11.252 -24.101 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -17.848 -12.176 -26.983 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.018 -10.899 -26.572 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -17.702 -10.563 -27.721 1.00 0.00 H new ATOM 220 N GLY A 16 -15.672 -8.850 -22.494 1.00 0.00 N ATOM 221 CA GLY A 16 -15.135 -9.557 -21.346 1.00 0.00 C ATOM 222 C GLY A 16 -15.714 -9.060 -20.037 1.00 0.00 C ATOM 223 O GLY A 16 -15.291 -8.029 -19.515 1.00 0.00 O ATOM 0 H GLY A 16 -16.256 -8.045 -22.267 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -15.341 -10.622 -21.450 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.051 -9.443 -21.327 1.00 0.00 H new ATOM 227 N ASN A 17 -16.686 -9.793 -19.504 1.00 0.00 N ATOM 228 CA ASN A 17 -17.325 -9.419 -18.248 1.00 0.00 C ATOM 229 C ASN A 17 -16.752 -10.223 -17.085 1.00 0.00 C ATOM 230 O ASN A 17 -16.171 -11.290 -17.281 1.00 0.00 O ATOM 231 CB ASN A 17 -18.837 -9.637 -18.337 1.00 0.00 C ATOM 232 CG ASN A 17 -19.464 -8.878 -19.490 1.00 0.00 C ATOM 233 OD1 ASN A 17 -19.481 -7.648 -19.502 1.00 0.00 O ATOM 234 ND2 ASN A 17 -19.984 -9.612 -20.468 1.00 0.00 N ATOM 0 H ASN A 17 -17.048 -10.650 -19.923 1.00 0.00 H new ATOM 0 HA ASN A 17 -17.126 -8.362 -18.069 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.042 -10.701 -18.452 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.302 -9.322 -17.403 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -20.420 -9.157 -21.270 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -19.947 -10.630 -20.416 1.00 0.00 H new ATOM 241 N GLY A 18 -16.920 -9.703 -15.873 1.00 0.00 N ATOM 242 CA GLY A 18 -16.414 -10.385 -14.696 1.00 0.00 C ATOM 243 C GLY A 18 -16.980 -9.818 -13.409 1.00 0.00 C ATOM 244 O GLY A 18 -17.623 -8.768 -13.398 1.00 0.00 O ATOM 0 H GLY A 18 -17.398 -8.821 -15.685 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.659 -11.445 -14.761 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.327 -10.310 -14.675 1.00 0.00 H new ATOM 248 N PRO A 19 -16.743 -10.523 -12.293 1.00 0.00 N ATOM 249 CA PRO A 19 -17.227 -10.103 -10.974 1.00 0.00 C ATOM 250 C PRO A 19 -16.506 -8.862 -10.461 1.00 0.00 C ATOM 251 O PRO A 19 -15.354 -8.611 -10.814 1.00 0.00 O ATOM 252 CB PRO A 19 -16.917 -11.309 -10.083 1.00 0.00 C ATOM 253 CG PRO A 19 -15.781 -11.997 -10.758 1.00 0.00 C ATOM 254 CD PRO A 19 -15.984 -11.783 -12.232 1.00 0.00 C ATOM 0 HA PRO A 19 -18.282 -9.830 -10.994 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.648 -10.997 -9.074 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.781 -11.967 -9.993 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.826 -11.585 -10.432 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.769 -13.060 -10.516 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.034 -11.706 -12.761 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.536 -12.607 -12.685 1.00 0.00 H new ATOM 262 N ARG A 20 -17.192 -8.088 -9.625 1.00 0.00 N ATOM 263 CA ARG A 20 -16.617 -6.872 -9.064 1.00 0.00 C ATOM 264 C ARG A 20 -16.616 -6.925 -7.539 1.00 0.00 C ATOM 265 O ARG A 20 -17.670 -6.872 -6.904 1.00 0.00 O ATOM 266 CB ARG A 20 -17.396 -5.646 -9.542 1.00 0.00 C ATOM 267 CG ARG A 20 -17.004 -4.360 -8.832 1.00 0.00 C ATOM 268 CD ARG A 20 -18.069 -3.287 -8.994 1.00 0.00 C ATOM 269 NE ARG A 20 -17.700 -2.044 -8.323 1.00 0.00 N ATOM 270 CZ ARG A 20 -16.798 -1.192 -8.797 1.00 0.00 C ATOM 271 NH1 ARG A 20 -16.176 -1.448 -9.940 1.00 0.00 N ATOM 272 NH2 ARG A 20 -16.516 -0.081 -8.128 1.00 0.00 N ATOM 0 H ARG A 20 -18.146 -8.282 -9.322 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.586 -6.795 -9.409 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.239 -5.522 -10.614 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.461 -5.823 -9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -16.847 -4.561 -7.772 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.057 -3.997 -9.231 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -18.229 -3.093 -10.054 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.014 -3.650 -8.590 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.160 -1.817 -7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.390 -2.301 -10.457 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.484 -0.792 -10.302 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.992 0.120 -7.249 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.823 0.572 -8.493 1.00 0.00 H new ATOM 286 N LEU A 21 -15.427 -7.030 -6.956 1.00 0.00 N ATOM 287 CA LEU A 21 -15.288 -7.090 -5.505 1.00 0.00 C ATOM 288 C LEU A 21 -16.111 -8.237 -4.927 1.00 0.00 C ATOM 289 O LEU A 21 -16.759 -8.087 -3.891 1.00 0.00 O ATOM 290 CB LEU A 21 -15.724 -5.766 -4.876 1.00 0.00 C ATOM 291 CG LEU A 21 -14.649 -4.683 -4.777 1.00 0.00 C ATOM 292 CD1 LEU A 21 -14.250 -4.199 -6.163 1.00 0.00 C ATOM 293 CD2 LEU A 21 -15.138 -3.522 -3.924 1.00 0.00 C ATOM 0 H LEU A 21 -14.545 -7.075 -7.466 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.238 -7.267 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.558 -5.370 -5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.100 -5.970 -3.873 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.770 -5.113 -4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.484 -3.429 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.857 -5.035 -6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.122 -3.786 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.360 -2.761 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.033 -3.092 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.372 -3.880 -2.922 1.00 0.00 H new ATOM 305 N GLN A 22 -16.079 -9.381 -5.602 1.00 0.00 N ATOM 306 CA GLN A 22 -16.822 -10.553 -5.154 1.00 0.00 C ATOM 307 C GLN A 22 -16.671 -10.750 -3.649 1.00 0.00 C ATOM 308 O GLN A 22 -17.633 -11.082 -2.958 1.00 0.00 O ATOM 309 CB GLN A 22 -16.340 -11.802 -5.894 1.00 0.00 C ATOM 310 CG GLN A 22 -14.862 -12.095 -5.695 1.00 0.00 C ATOM 311 CD GLN A 22 -13.967 -11.067 -6.359 1.00 0.00 C ATOM 312 OE1 GLN A 22 -14.259 -10.590 -7.456 1.00 0.00 O ATOM 313 NE2 GLN A 22 -12.871 -10.719 -5.696 1.00 0.00 N ATOM 0 H GLN A 22 -15.547 -9.522 -6.461 1.00 0.00 H new ATOM 0 HA GLN A 22 -17.876 -10.391 -5.377 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.921 -12.661 -5.557 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.538 -11.682 -6.959 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.643 -12.126 -4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -14.634 -13.082 -6.097 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.668 -11.140 -4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.232 -10.031 -6.093 1.00 0.00 H new ATOM 322 N ASN A 23 -15.457 -10.543 -3.149 1.00 0.00 N ATOM 323 CA ASN A 23 -15.181 -10.699 -1.725 1.00 0.00 C ATOM 324 C ASN A 23 -14.386 -9.511 -1.192 1.00 0.00 C ATOM 325 O ASN A 23 -13.701 -8.820 -1.946 1.00 0.00 O ATOM 326 CB ASN A 23 -14.410 -11.996 -1.473 1.00 0.00 C ATOM 327 CG ASN A 23 -15.312 -13.216 -1.485 1.00 0.00 C ATOM 328 OD1 ASN A 23 -16.536 -13.096 -1.529 1.00 0.00 O ATOM 329 ND2 ASN A 23 -14.708 -14.398 -1.444 1.00 0.00 N ATOM 0 H ASN A 23 -14.650 -10.267 -3.708 1.00 0.00 H new ATOM 0 HA ASN A 23 -16.134 -10.742 -1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.638 -12.111 -2.234 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.902 -11.932 -0.511 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.262 -15.254 -1.448 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.690 -14.450 -1.408 1.00 0.00 H new ATOM 336 N SER A 24 -14.483 -9.279 0.113 1.00 0.00 N ATOM 337 CA SER A 24 -13.776 -8.172 0.747 1.00 0.00 C ATOM 338 C SER A 24 -12.269 -8.402 0.718 1.00 0.00 C ATOM 339 O SER A 24 -11.787 -9.486 1.051 1.00 0.00 O ATOM 340 CB SER A 24 -14.249 -7.998 2.192 1.00 0.00 C ATOM 341 OG SER A 24 -14.107 -9.203 2.923 1.00 0.00 O ATOM 0 H SER A 24 -15.044 -9.842 0.752 1.00 0.00 H new ATOM 0 HA SER A 24 -13.998 -7.263 0.187 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.674 -7.207 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.293 -7.684 2.201 1.00 0.00 H new ATOM 0 HG SER A 24 -14.414 -9.065 3.843 1.00 0.00 H new ATOM 347 N THR A 25 -11.527 -7.375 0.316 1.00 0.00 N ATOM 348 CA THR A 25 -10.074 -7.464 0.241 1.00 0.00 C ATOM 349 C THR A 25 -9.413 -6.430 1.145 1.00 0.00 C ATOM 350 O THR A 25 -9.778 -5.254 1.131 1.00 0.00 O ATOM 351 CB THR A 25 -9.572 -7.264 -1.201 1.00 0.00 C ATOM 352 OG1 THR A 25 -10.235 -6.144 -1.799 1.00 0.00 O ATOM 353 CG2 THR A 25 -9.818 -8.511 -2.037 1.00 0.00 C ATOM 0 H THR A 25 -11.909 -6.471 0.037 1.00 0.00 H new ATOM 0 HA THR A 25 -9.801 -8.464 0.577 1.00 0.00 H new ATOM 0 HB THR A 25 -8.499 -7.075 -1.166 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.253 -5.398 -1.164 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.455 -8.346 -3.052 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.289 -9.355 -1.595 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.886 -8.726 -2.064 1.00 0.00 H new ATOM 361 N TYR A 26 -8.438 -6.875 1.931 1.00 0.00 N ATOM 362 CA TYR A 26 -7.726 -5.988 2.843 1.00 0.00 C ATOM 363 C TYR A 26 -6.526 -5.347 2.154 1.00 0.00 C ATOM 364 O TYR A 26 -5.573 -6.031 1.780 1.00 0.00 O ATOM 365 CB TYR A 26 -7.266 -6.759 4.082 1.00 0.00 C ATOM 366 CG TYR A 26 -8.376 -7.031 5.073 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.589 -7.565 4.657 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.211 -6.753 6.424 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.606 -7.815 5.558 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.221 -7.001 7.332 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.417 -7.531 6.895 1.00 0.00 C ATOM 372 OH TYR A 26 -11.427 -7.778 7.797 1.00 0.00 O ATOM 0 H TYR A 26 -8.123 -7.845 1.954 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.411 -5.197 3.149 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.830 -7.707 3.768 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.477 -6.194 4.579 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.740 -7.789 3.611 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.277 -6.336 6.770 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.543 -8.230 5.218 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.075 -6.781 8.379 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.966 -8.535 7.485 1.00 0.00 H new ATOM 382 N GLN A 27 -6.580 -4.029 1.991 1.00 0.00 N ATOM 383 CA GLN A 27 -5.497 -3.295 1.347 1.00 0.00 C ATOM 384 C GLN A 27 -4.413 -2.928 2.355 1.00 0.00 C ATOM 385 O GLN A 27 -4.583 -2.010 3.158 1.00 0.00 O ATOM 386 CB GLN A 27 -6.038 -2.030 0.678 1.00 0.00 C ATOM 387 CG GLN A 27 -5.194 -1.552 -0.492 1.00 0.00 C ATOM 388 CD GLN A 27 -3.709 -1.577 -0.190 1.00 0.00 C ATOM 389 OE1 GLN A 27 -2.968 -2.398 -0.926 1.00 0.00 O flip ATOM 390 NE2 GLN A 27 -3.232 -0.867 0.696 1.00 0.00 N flip ATOM 0 H GLN A 27 -7.361 -3.448 2.296 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.056 -3.940 0.587 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.053 -2.219 0.329 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.099 -1.234 1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.395 -2.180 -1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.490 -0.537 -0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.838 -0.251 1.237 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.231 -0.895 0.888 1.00 0.00 H new ATOM 399 N CYS A 28 -3.299 -3.651 2.308 1.00 0.00 N ATOM 400 CA CYS A 28 -2.187 -3.402 3.217 1.00 0.00 C ATOM 401 C CYS A 28 -1.537 -2.053 2.926 1.00 0.00 C ATOM 402 O CYS A 28 -0.860 -1.883 1.912 1.00 0.00 O ATOM 403 CB CYS A 28 -1.147 -4.518 3.100 1.00 0.00 C ATOM 404 SG CYS A 28 -0.152 -4.768 4.606 1.00 0.00 S ATOM 0 H CYS A 28 -3.143 -4.414 1.650 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.579 -3.384 4.234 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.656 -5.450 2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.479 -4.292 2.269 1.00 0.00 H new ATOM 409 N LYS A 29 -1.747 -1.096 3.823 1.00 0.00 N ATOM 410 CA LYS A 29 -1.182 0.239 3.665 1.00 0.00 C ATOM 411 C LYS A 29 0.286 0.260 4.080 1.00 0.00 C ATOM 412 O LYS A 29 0.880 1.327 4.244 1.00 0.00 O ATOM 413 CB LYS A 29 -1.972 1.252 4.496 1.00 0.00 C ATOM 414 CG LYS A 29 -1.900 1.000 5.992 1.00 0.00 C ATOM 415 CD LYS A 29 -0.719 1.720 6.622 1.00 0.00 C ATOM 416 CE LYS A 29 -0.862 1.808 8.134 1.00 0.00 C ATOM 417 NZ LYS A 29 -1.652 3.000 8.548 1.00 0.00 N ATOM 0 H LYS A 29 -2.305 -1.220 4.668 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.249 0.512 2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.596 2.253 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.016 1.231 4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.824 1.334 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.816 -0.071 6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.203 1.196 6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.638 2.723 6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.346 0.905 8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.127 1.851 8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.727 3.024 9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.178 3.864 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.604 2.946 8.134 1.00 0.00 H new ATOM 431 N HIS A 30 0.866 -0.924 4.247 1.00 0.00 N ATOM 432 CA HIS A 30 2.266 -1.040 4.641 1.00 0.00 C ATOM 433 C HIS A 30 3.146 -1.349 3.434 1.00 0.00 C ATOM 434 O HIS A 30 4.222 -0.771 3.272 1.00 0.00 O ATOM 435 CB HIS A 30 2.431 -2.131 5.699 1.00 0.00 C ATOM 436 CG HIS A 30 2.284 -1.631 7.103 1.00 0.00 C ATOM 437 ND1 HIS A 30 1.113 -1.089 7.590 1.00 0.00 N ATOM 438 CD2 HIS A 30 3.168 -1.596 8.128 1.00 0.00 C ATOM 439 CE1 HIS A 30 1.284 -0.739 8.853 1.00 0.00 C ATOM 440 NE2 HIS A 30 2.523 -1.037 9.203 1.00 0.00 N ATOM 0 H HIS A 30 0.389 -1.816 4.116 1.00 0.00 H new ATOM 0 HA HIS A 30 2.580 -0.085 5.062 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.692 -2.913 5.521 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.414 -2.589 5.586 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.190 -1.943 8.104 1.00 0.00 H new ATOM 0 HE1 HIS A 30 0.538 -0.287 9.490 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.934 -0.877 10.123 1.00 0.00 H new ATOM 448 N CYS A 31 2.683 -2.263 2.588 1.00 0.00 N ATOM 449 CA CYS A 31 3.428 -2.650 1.396 1.00 0.00 C ATOM 450 C CYS A 31 2.557 -2.530 0.148 1.00 0.00 C ATOM 451 O CYS A 31 2.977 -2.893 -0.951 1.00 0.00 O ATOM 452 CB CYS A 31 3.944 -4.084 1.535 1.00 0.00 C ATOM 453 SG CYS A 31 2.635 -5.324 1.792 1.00 0.00 S ATOM 0 H CYS A 31 1.795 -2.750 2.706 1.00 0.00 H new ATOM 0 HA CYS A 31 4.277 -1.974 1.292 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.506 -4.345 0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.641 -4.128 2.372 1.00 0.00 H new ATOM 458 N ASP A 32 1.345 -2.018 0.327 1.00 0.00 N ATOM 459 CA ASP A 32 0.415 -1.848 -0.784 1.00 0.00 C ATOM 460 C ASP A 32 0.025 -3.198 -1.378 1.00 0.00 C ATOM 461 O ASP A 32 -0.058 -3.351 -2.596 1.00 0.00 O ATOM 462 CB ASP A 32 1.036 -0.962 -1.865 1.00 0.00 C ATOM 463 CG ASP A 32 0.717 0.507 -1.663 1.00 0.00 C ATOM 464 OD1 ASP A 32 -0.395 0.930 -2.043 1.00 0.00 O ATOM 465 OD2 ASP A 32 1.579 1.232 -1.125 1.00 0.00 O ATOM 0 H ASP A 32 0.983 -1.713 1.231 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.485 -1.366 -0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.117 -1.099 -1.866 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.673 -1.279 -2.843 1.00 0.00 H new ATOM 470 N SER A 33 -0.212 -4.175 -0.508 1.00 0.00 N ATOM 471 CA SER A 33 -0.589 -5.514 -0.946 1.00 0.00 C ATOM 472 C SER A 33 -2.084 -5.748 -0.753 1.00 0.00 C ATOM 473 O SER A 33 -2.824 -4.838 -0.379 1.00 0.00 O ATOM 474 CB SER A 33 0.207 -6.568 -0.175 1.00 0.00 C ATOM 475 OG SER A 33 0.028 -7.856 -0.739 1.00 0.00 O ATOM 0 H SER A 33 -0.150 -4.064 0.504 1.00 0.00 H new ATOM 0 HA SER A 33 -0.360 -5.600 -2.008 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.265 -6.308 -0.184 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.110 -6.577 0.868 1.00 0.00 H new ATOM 0 HG SER A 33 0.548 -8.512 -0.229 1.00 0.00 H new ATOM 481 N LYS A 34 -2.522 -6.975 -1.012 1.00 0.00 N ATOM 482 CA LYS A 34 -3.929 -7.333 -0.867 1.00 0.00 C ATOM 483 C LYS A 34 -4.079 -8.674 -0.156 1.00 0.00 C ATOM 484 O LYS A 34 -3.419 -9.652 -0.509 1.00 0.00 O ATOM 485 CB LYS A 34 -4.605 -7.392 -2.238 1.00 0.00 C ATOM 486 CG LYS A 34 -4.855 -6.025 -2.853 1.00 0.00 C ATOM 487 CD LYS A 34 -5.898 -6.092 -3.955 1.00 0.00 C ATOM 488 CE LYS A 34 -5.929 -4.809 -4.772 1.00 0.00 C ATOM 489 NZ LYS A 34 -4.722 -4.671 -5.633 1.00 0.00 N ATOM 0 H LYS A 34 -1.923 -7.739 -1.324 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.413 -6.566 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.983 -7.978 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.555 -7.918 -2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.186 -5.332 -2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.923 -5.631 -3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.683 -6.936 -4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.880 -6.270 -3.517 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.823 -4.797 -5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.996 -3.953 -4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.889 -3.936 -6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.906 -4.404 -5.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.527 -5.577 -6.105 1.00 0.00 H new ATOM 503 N LEU A 35 -4.951 -8.713 0.845 1.00 0.00 N ATOM 504 CA LEU A 35 -5.189 -9.936 1.605 1.00 0.00 C ATOM 505 C LEU A 35 -6.674 -10.285 1.624 1.00 0.00 C ATOM 506 O LEU A 35 -7.526 -9.422 1.416 1.00 0.00 O ATOM 507 CB LEU A 35 -4.672 -9.779 3.036 1.00 0.00 C ATOM 508 CG LEU A 35 -3.167 -9.963 3.230 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.392 -9.069 2.275 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.775 -9.673 4.672 1.00 0.00 C ATOM 0 H LEU A 35 -5.505 -7.913 1.150 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.650 -10.748 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.945 -8.786 3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.190 -10.499 3.669 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.916 -11.000 3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.323 -9.214 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.650 -9.325 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.648 -8.026 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.700 -9.809 4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.041 -8.646 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.303 -10.356 5.337 1.00 0.00 H new ATOM 522 N GLN A 36 -6.974 -11.554 1.877 1.00 0.00 N ATOM 523 CA GLN A 36 -8.357 -12.016 1.924 1.00 0.00 C ATOM 524 C GLN A 36 -9.108 -11.367 3.081 1.00 0.00 C ATOM 525 O GLN A 36 -10.173 -10.779 2.890 1.00 0.00 O ATOM 526 CB GLN A 36 -8.403 -13.539 2.061 1.00 0.00 C ATOM 527 CG GLN A 36 -8.222 -14.275 0.743 1.00 0.00 C ATOM 528 CD GLN A 36 -8.428 -15.771 0.876 1.00 0.00 C ATOM 529 OE1 GLN A 36 -8.822 -16.263 1.934 1.00 0.00 O ATOM 530 NE2 GLN A 36 -8.163 -16.503 -0.199 1.00 0.00 N ATOM 0 H GLN A 36 -6.280 -12.280 2.052 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.843 -11.727 0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.624 -13.857 2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.358 -13.827 2.500 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.926 -13.879 0.011 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.220 -14.083 0.359 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.839 -16.053 -1.055 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.284 -17.515 -0.169 1.00 0.00 H new ATOM 539 N SER A 37 -8.547 -11.477 4.281 1.00 0.00 N ATOM 540 CA SER A 37 -9.167 -10.904 5.470 1.00 0.00 C ATOM 541 C SER A 37 -8.152 -10.773 6.602 1.00 0.00 C ATOM 542 O SER A 37 -7.012 -11.222 6.485 1.00 0.00 O ATOM 543 CB SER A 37 -10.346 -11.767 5.924 1.00 0.00 C ATOM 544 OG SER A 37 -11.487 -11.537 5.116 1.00 0.00 O ATOM 0 H SER A 37 -7.664 -11.958 4.456 1.00 0.00 H new ATOM 0 HA SER A 37 -9.532 -9.909 5.215 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.069 -12.820 5.877 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.583 -11.546 6.965 1.00 0.00 H new ATOM 0 HG SER A 37 -11.216 -11.090 4.287 1.00 0.00 H new ATOM 550 N THR A 38 -8.576 -10.154 7.700 1.00 0.00 N ATOM 551 CA THR A 38 -7.706 -9.962 8.853 1.00 0.00 C ATOM 552 C THR A 38 -6.875 -11.209 9.128 1.00 0.00 C ATOM 553 O THR A 38 -5.655 -11.134 9.276 1.00 0.00 O ATOM 554 CB THR A 38 -8.516 -9.609 10.115 1.00 0.00 C ATOM 555 OG1 THR A 38 -9.356 -8.478 9.858 1.00 0.00 O ATOM 556 CG2 THR A 38 -7.591 -9.306 11.284 1.00 0.00 C ATOM 0 H THR A 38 -9.517 -9.777 7.814 1.00 0.00 H new ATOM 0 HA THR A 38 -7.041 -9.132 8.613 1.00 0.00 H new ATOM 0 HB THR A 38 -9.135 -10.468 10.375 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.541 -8.419 8.897 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.185 -9.059 12.164 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.974 -10.179 11.496 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.950 -8.462 11.031 1.00 0.00 H new ATOM 564 N ALA A 39 -7.542 -12.357 9.195 1.00 0.00 N ATOM 565 CA ALA A 39 -6.864 -13.621 9.450 1.00 0.00 C ATOM 566 C ALA A 39 -5.510 -13.669 8.749 1.00 0.00 C ATOM 567 O ALA A 39 -4.539 -14.194 9.292 1.00 0.00 O ATOM 568 CB ALA A 39 -7.734 -14.787 9.003 1.00 0.00 C ATOM 0 H ALA A 39 -8.552 -12.437 9.076 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.691 -13.702 10.523 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.215 -15.725 9.200 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.675 -14.771 9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.937 -14.701 7.935 1.00 0.00 H new ATOM 574 N GLU A 40 -5.456 -13.119 7.540 1.00 0.00 N ATOM 575 CA GLU A 40 -4.221 -13.102 6.765 1.00 0.00 C ATOM 576 C GLU A 40 -3.337 -11.927 7.175 1.00 0.00 C ATOM 577 O GLU A 40 -2.116 -12.058 7.271 1.00 0.00 O ATOM 578 CB GLU A 40 -4.533 -13.022 5.269 1.00 0.00 C ATOM 579 CG GLU A 40 -4.721 -14.379 4.613 1.00 0.00 C ATOM 580 CD GLU A 40 -4.723 -14.300 3.098 1.00 0.00 C ATOM 581 OE1 GLU A 40 -3.859 -13.591 2.541 1.00 0.00 O ATOM 582 OE2 GLU A 40 -5.589 -14.945 2.471 1.00 0.00 O ATOM 0 H GLU A 40 -6.252 -12.680 7.077 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.682 -14.028 6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.437 -12.430 5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.724 -12.493 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.924 -15.048 4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.661 -14.815 4.952 1.00 0.00 H new ATOM 589 N LEU A 41 -3.963 -10.780 7.415 1.00 0.00 N ATOM 590 CA LEU A 41 -3.235 -9.581 7.814 1.00 0.00 C ATOM 591 C LEU A 41 -2.470 -9.815 9.113 1.00 0.00 C ATOM 592 O LEU A 41 -1.274 -9.536 9.202 1.00 0.00 O ATOM 593 CB LEU A 41 -4.200 -8.406 7.983 1.00 0.00 C ATOM 594 CG LEU A 41 -3.598 -7.012 7.810 1.00 0.00 C ATOM 595 CD1 LEU A 41 -3.166 -6.791 6.369 1.00 0.00 C ATOM 596 CD2 LEU A 41 -4.593 -5.944 8.240 1.00 0.00 C ATOM 0 H LEU A 41 -4.973 -10.655 7.340 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.518 -9.344 7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.011 -8.521 7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.644 -8.467 8.976 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.717 -6.937 8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.740 -5.793 6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.418 -7.535 6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.030 -6.886 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.147 -4.958 8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.493 -6.019 7.630 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.852 -6.089 9.289 1.00 0.00 H new ATOM 608 N THR A 42 -3.168 -10.332 10.120 1.00 0.00 N ATOM 609 CA THR A 42 -2.555 -10.606 11.414 1.00 0.00 C ATOM 610 C THR A 42 -1.202 -11.288 11.248 1.00 0.00 C ATOM 611 O THR A 42 -0.265 -11.019 11.999 1.00 0.00 O ATOM 612 CB THR A 42 -3.461 -11.493 12.288 1.00 0.00 C ATOM 613 OG1 THR A 42 -4.745 -10.879 12.443 1.00 0.00 O ATOM 614 CG2 THR A 42 -2.835 -11.724 13.655 1.00 0.00 C ATOM 0 H THR A 42 -4.158 -10.569 10.064 1.00 0.00 H new ATOM 0 HA THR A 42 -2.416 -9.644 11.908 1.00 0.00 H new ATOM 0 HB THR A 42 -3.577 -12.456 11.792 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.316 -11.450 12.999 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.493 -12.353 14.255 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.871 -12.218 13.535 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.692 -10.767 14.156 1.00 0.00 H new ATOM 622 N SER A 43 -1.107 -12.172 10.260 1.00 0.00 N ATOM 623 CA SER A 43 0.131 -12.895 9.997 1.00 0.00 C ATOM 624 C SER A 43 1.057 -12.079 9.100 1.00 0.00 C ATOM 625 O SER A 43 2.256 -11.970 9.362 1.00 0.00 O ATOM 626 CB SER A 43 -0.170 -14.245 9.345 1.00 0.00 C ATOM 627 OG SER A 43 1.018 -14.990 9.140 1.00 0.00 O ATOM 0 H SER A 43 -1.873 -12.405 9.628 1.00 0.00 H new ATOM 0 HA SER A 43 0.633 -13.064 10.950 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.854 -14.812 9.976 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.673 -14.087 8.391 1.00 0.00 H new ATOM 0 HG SER A 43 0.798 -15.849 8.723 1.00 0.00 H new ATOM 633 N HIS A 44 0.493 -11.508 8.041 1.00 0.00 N ATOM 634 CA HIS A 44 1.267 -10.702 7.104 1.00 0.00 C ATOM 635 C HIS A 44 1.949 -9.541 7.822 1.00 0.00 C ATOM 636 O HIS A 44 3.176 -9.437 7.828 1.00 0.00 O ATOM 637 CB HIS A 44 0.365 -10.169 5.991 1.00 0.00 C ATOM 638 CG HIS A 44 1.095 -9.358 4.965 1.00 0.00 C ATOM 639 ND1 HIS A 44 1.732 -9.918 3.877 1.00 0.00 N ATOM 640 CD2 HIS A 44 1.285 -8.022 4.863 1.00 0.00 C ATOM 641 CE1 HIS A 44 2.284 -8.961 3.153 1.00 0.00 C ATOM 642 NE2 HIS A 44 2.027 -7.801 3.729 1.00 0.00 N ATOM 0 H HIS A 44 -0.497 -11.588 7.810 1.00 0.00 H new ATOM 0 HA HIS A 44 2.036 -11.337 6.665 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.124 -11.009 5.498 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.421 -9.557 6.433 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.921 -7.269 5.547 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.850 -9.103 2.244 1.00 0.00 H new ATOM 0 HE2 HIS A 44 2.330 -6.889 3.387 1.00 0.00 H new ATOM 650 N LEU A 45 1.147 -8.670 8.424 1.00 0.00 N ATOM 651 CA LEU A 45 1.673 -7.516 9.144 1.00 0.00 C ATOM 652 C LEU A 45 2.906 -7.897 9.956 1.00 0.00 C ATOM 653 O LEU A 45 3.937 -7.229 9.887 1.00 0.00 O ATOM 654 CB LEU A 45 0.600 -6.933 10.066 1.00 0.00 C ATOM 655 CG LEU A 45 -0.311 -5.872 9.449 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.430 -5.505 10.411 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.491 -4.637 9.065 1.00 0.00 C ATOM 0 H LEU A 45 0.129 -8.741 8.428 1.00 0.00 H new ATOM 0 HA LEU A 45 1.962 -6.762 8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.022 -7.751 10.429 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.094 -6.498 10.935 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.757 -6.286 8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.068 -4.748 9.955 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.022 -6.392 10.636 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.003 -5.111 11.333 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.174 -3.893 8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.966 -4.221 9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.256 -4.911 8.339 1.00 0.00 H new ATOM 669 N ASN A 46 2.793 -8.976 10.724 1.00 0.00 N ATOM 670 CA ASN A 46 3.900 -9.447 11.548 1.00 0.00 C ATOM 671 C ASN A 46 5.222 -9.343 10.794 1.00 0.00 C ATOM 672 O ASN A 46 6.222 -8.870 11.336 1.00 0.00 O ATOM 673 CB ASN A 46 3.660 -10.894 11.982 1.00 0.00 C ATOM 674 CG ASN A 46 2.441 -11.036 12.874 1.00 0.00 C ATOM 675 OD1 ASN A 46 1.985 -10.065 13.479 1.00 0.00 O ATOM 676 ND2 ASN A 46 1.909 -12.249 12.960 1.00 0.00 N ATOM 0 H ASN A 46 1.946 -9.540 10.793 1.00 0.00 H new ATOM 0 HA ASN A 46 3.956 -8.814 12.433 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.535 -11.519 11.098 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.539 -11.262 12.511 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.089 -12.406 13.545 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.321 -13.024 12.441 1.00 0.00 H new ATOM 683 N ILE A 47 5.220 -9.788 9.542 1.00 0.00 N ATOM 684 CA ILE A 47 6.418 -9.743 8.714 1.00 0.00 C ATOM 685 C ILE A 47 7.101 -8.383 8.808 1.00 0.00 C ATOM 686 O ILE A 47 8.321 -8.298 8.957 1.00 0.00 O ATOM 687 CB ILE A 47 6.094 -10.041 7.238 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.513 -11.450 7.095 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.341 -9.888 6.380 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.924 -11.725 5.729 1.00 0.00 C ATOM 0 H ILE A 47 4.402 -10.184 9.079 1.00 0.00 H new ATOM 0 HA ILE A 47 7.092 -10.512 9.092 1.00 0.00 H new ATOM 0 HB ILE A 47 5.349 -9.324 6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.297 -12.180 7.297 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.741 -11.594 7.851 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.095 -10.102 5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.716 -8.868 6.462 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.106 -10.584 6.723 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.531 -12.741 5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.118 -11.019 5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.698 -11.613 4.970 1.00 0.00 H new ATOM 702 N HIS A 48 6.307 -7.321 8.721 1.00 0.00 N ATOM 703 CA HIS A 48 6.835 -5.963 8.799 1.00 0.00 C ATOM 704 C HIS A 48 7.533 -5.728 10.135 1.00 0.00 C ATOM 705 O HIS A 48 8.703 -5.350 10.176 1.00 0.00 O ATOM 706 CB HIS A 48 5.710 -4.945 8.612 1.00 0.00 C ATOM 707 CG HIS A 48 5.072 -4.999 7.258 1.00 0.00 C ATOM 708 ND1 HIS A 48 5.789 -5.185 6.095 1.00 0.00 N ATOM 709 CD2 HIS A 48 3.775 -4.892 6.886 1.00 0.00 C ATOM 710 CE1 HIS A 48 4.961 -5.189 5.066 1.00 0.00 C ATOM 711 NE2 HIS A 48 3.733 -5.013 5.518 1.00 0.00 N ATOM 0 H HIS A 48 5.296 -7.374 8.597 1.00 0.00 H new ATOM 0 HA HIS A 48 7.566 -5.837 8.000 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.947 -5.116 9.371 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.106 -3.943 8.778 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.801 -5.301 6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.931 -4.740 7.542 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.241 -5.315 4.031 1.00 0.00 H new ATOM 719 N ASN A 49 6.807 -5.954 11.225 1.00 0.00 N ATOM 720 CA ASN A 49 7.357 -5.765 12.563 1.00 0.00 C ATOM 721 C ASN A 49 8.786 -6.292 12.643 1.00 0.00 C ATOM 722 O ASN A 49 9.711 -5.557 12.986 1.00 0.00 O ATOM 723 CB ASN A 49 6.482 -6.470 13.601 1.00 0.00 C ATOM 724 CG ASN A 49 5.121 -5.817 13.749 1.00 0.00 C ATOM 725 OD1 ASN A 49 4.741 -4.960 12.951 1.00 0.00 O ATOM 726 ND2 ASN A 49 4.380 -6.221 14.774 1.00 0.00 N ATOM 0 H ASN A 49 5.837 -6.268 11.208 1.00 0.00 H new ATOM 0 HA ASN A 49 7.371 -4.696 12.776 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.352 -7.514 13.314 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.991 -6.465 14.565 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.455 -5.818 14.925 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.736 -6.934 15.411 1.00 0.00 H new ATOM 733 N GLU A 50 8.958 -7.571 12.323 1.00 0.00 N ATOM 734 CA GLU A 50 10.274 -8.197 12.359 1.00 0.00 C ATOM 735 C GLU A 50 11.263 -7.435 11.481 1.00 0.00 C ATOM 736 O GLU A 50 12.387 -7.153 11.895 1.00 0.00 O ATOM 737 CB GLU A 50 10.184 -9.654 11.899 1.00 0.00 C ATOM 738 CG GLU A 50 9.815 -10.621 13.011 1.00 0.00 C ATOM 739 CD GLU A 50 10.746 -10.521 14.204 1.00 0.00 C ATOM 740 OE1 GLU A 50 11.900 -10.081 14.022 1.00 0.00 O ATOM 741 OE2 GLU A 50 10.319 -10.884 15.321 1.00 0.00 O ATOM 0 H GLU A 50 8.202 -8.193 12.036 1.00 0.00 H new ATOM 0 HA GLU A 50 10.632 -8.170 13.388 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.444 -9.730 11.102 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.142 -9.952 11.473 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.793 -10.424 13.335 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.835 -11.640 12.623 1.00 0.00 H new ATOM 748 N GLU A 51 10.835 -7.107 10.265 1.00 0.00 N ATOM 749 CA GLU A 51 11.683 -6.380 9.328 1.00 0.00 C ATOM 750 C GLU A 51 12.115 -5.039 9.913 1.00 0.00 C ATOM 751 O GLU A 51 13.247 -4.597 9.714 1.00 0.00 O ATOM 752 CB GLU A 51 10.947 -6.159 8.005 1.00 0.00 C ATOM 753 CG GLU A 51 10.807 -7.419 7.168 1.00 0.00 C ATOM 754 CD GLU A 51 12.050 -7.717 6.351 1.00 0.00 C ATOM 755 OE1 GLU A 51 13.165 -7.586 6.897 1.00 0.00 O ATOM 756 OE2 GLU A 51 11.906 -8.081 5.165 1.00 0.00 O ATOM 0 H GLU A 51 9.907 -7.333 9.907 1.00 0.00 H new ATOM 0 HA GLU A 51 12.574 -6.980 9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.955 -5.759 8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.479 -5.405 7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.596 -8.264 7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.953 -7.313 6.499 1.00 0.00 H new ATOM 763 N PHE A 52 11.205 -4.395 10.636 1.00 0.00 N ATOM 764 CA PHE A 52 11.490 -3.103 11.250 1.00 0.00 C ATOM 765 C PHE A 52 12.645 -3.214 12.241 1.00 0.00 C ATOM 766 O PHE A 52 13.594 -2.432 12.193 1.00 0.00 O ATOM 767 CB PHE A 52 10.245 -2.565 11.959 1.00 0.00 C ATOM 768 CG PHE A 52 10.256 -1.074 12.141 1.00 0.00 C ATOM 769 CD1 PHE A 52 9.858 -0.234 11.113 1.00 0.00 C ATOM 770 CD2 PHE A 52 10.665 -0.513 13.340 1.00 0.00 C ATOM 771 CE1 PHE A 52 9.866 1.138 11.278 1.00 0.00 C ATOM 772 CE2 PHE A 52 10.675 0.859 13.510 1.00 0.00 C ATOM 773 CZ PHE A 52 10.277 1.685 12.477 1.00 0.00 C ATOM 0 H PHE A 52 10.264 -4.747 10.811 1.00 0.00 H new ATOM 0 HA PHE A 52 11.778 -2.410 10.460 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.361 -2.847 11.387 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.158 -3.042 12.935 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.538 -0.657 10.172 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.979 -1.154 14.150 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.551 1.782 10.470 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.994 1.285 14.450 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.287 2.757 12.607 1.00 0.00 H new ATOM 783 N GLN A 53 12.556 -4.192 13.137 1.00 0.00 N ATOM 784 CA GLN A 53 13.592 -4.405 14.140 1.00 0.00 C ATOM 785 C GLN A 53 14.918 -4.776 13.483 1.00 0.00 C ATOM 786 O GLN A 53 15.955 -4.180 13.773 1.00 0.00 O ATOM 787 CB GLN A 53 13.168 -5.503 15.116 1.00 0.00 C ATOM 788 CG GLN A 53 12.052 -5.082 16.058 1.00 0.00 C ATOM 789 CD GLN A 53 11.225 -6.256 16.545 1.00 0.00 C ATOM 790 OE1 GLN A 53 10.682 -7.021 15.748 1.00 0.00 O ATOM 791 NE2 GLN A 53 11.126 -6.405 17.861 1.00 0.00 N ATOM 0 H GLN A 53 11.777 -4.849 13.189 1.00 0.00 H new ATOM 0 HA GLN A 53 13.728 -3.473 14.689 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.844 -6.376 14.549 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.033 -5.808 15.705 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.482 -4.565 16.916 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.402 -4.370 15.549 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.593 -5.747 18.485 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.583 -7.177 18.247 1.00 0.00 H new ATOM 800 N LYS A 54 14.876 -5.765 12.596 1.00 0.00 N ATOM 801 CA LYS A 54 16.073 -6.216 11.896 1.00 0.00 C ATOM 802 C LYS A 54 16.725 -5.065 11.136 1.00 0.00 C ATOM 803 O LYS A 54 17.946 -4.908 11.157 1.00 0.00 O ATOM 804 CB LYS A 54 15.726 -7.349 10.927 1.00 0.00 C ATOM 805 CG LYS A 54 15.506 -8.687 11.610 1.00 0.00 C ATOM 806 CD LYS A 54 16.786 -9.504 11.660 1.00 0.00 C ATOM 807 CE LYS A 54 17.565 -9.243 12.940 1.00 0.00 C ATOM 808 NZ LYS A 54 18.400 -10.413 13.330 1.00 0.00 N ATOM 0 H LYS A 54 14.026 -6.269 12.345 1.00 0.00 H new ATOM 0 HA LYS A 54 16.780 -6.585 12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.826 -7.080 10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 54 16.529 -7.451 10.197 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.138 -8.523 12.623 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.737 -9.246 11.078 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.545 -10.565 11.590 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.408 -9.261 10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.204 -8.370 12.805 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.870 -9.008 13.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 18.915 -10.195 14.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 17.788 -11.240 13.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 19.080 -10.622 12.572 1.00 0.00 H new ATOM 822 N ARG A 55 15.904 -4.262 10.468 1.00 0.00 N ATOM 823 CA ARG A 55 16.402 -3.126 9.702 1.00 0.00 C ATOM 824 C ARG A 55 17.003 -2.070 10.625 1.00 0.00 C ATOM 825 O ARG A 55 18.187 -1.750 10.529 1.00 0.00 O ATOM 826 CB ARG A 55 15.274 -2.511 8.871 1.00 0.00 C ATOM 827 CG ARG A 55 15.767 -1.650 7.719 1.00 0.00 C ATOM 828 CD ARG A 55 16.586 -2.461 6.728 1.00 0.00 C ATOM 829 NE ARG A 55 16.614 -1.843 5.405 1.00 0.00 N ATOM 830 CZ ARG A 55 15.652 -1.998 4.502 1.00 0.00 C ATOM 831 NH1 ARG A 55 14.592 -2.746 4.778 1.00 0.00 N ATOM 832 NH2 ARG A 55 15.748 -1.403 3.320 1.00 0.00 N ATOM 0 H ARG A 55 14.891 -4.377 10.442 1.00 0.00 H new ATOM 0 HA ARG A 55 17.183 -3.485 9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 55 14.649 -3.311 8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 55 14.643 -1.906 9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 55 14.915 -1.202 7.208 1.00 0.00 H new ATOM 0 HG3 ARG A 55 16.372 -0.831 8.108 1.00 0.00 H new ATOM 0 HD2 ARG A 55 17.605 -2.566 7.100 1.00 0.00 H new ATOM 0 HD3 ARG A 55 16.170 -3.465 6.650 1.00 0.00 H new ATOM 0 HE ARG A 55 17.415 -1.261 5.161 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.514 -3.204 5.686 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.855 -2.863 4.082 1.00 0.00 H new ATOM 0 HH21 ARG A 55 16.561 -0.826 3.104 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.009 -1.523 2.627 1.00 0.00 H new ATOM 846 N ALA A 56 16.177 -1.533 11.517 1.00 0.00 N ATOM 847 CA ALA A 56 16.627 -0.514 12.458 1.00 0.00 C ATOM 848 C ALA A 56 17.547 0.494 11.777 1.00 0.00 C ATOM 849 O ALA A 56 18.567 0.896 12.337 1.00 0.00 O ATOM 850 CB ALA A 56 17.334 -1.162 13.639 1.00 0.00 C ATOM 0 H ALA A 56 15.193 -1.786 11.608 1.00 0.00 H new ATOM 0 HA ALA A 56 15.750 0.022 12.822 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.665 -0.390 14.333 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.647 -1.838 14.148 1.00 0.00 H new ATOM 0 HB3 ALA A 56 18.198 -1.723 13.283 1.00 0.00 H new ATOM 856 N LYS A 57 17.181 0.898 10.565 1.00 0.00 N ATOM 857 CA LYS A 57 17.972 1.860 9.807 1.00 0.00 C ATOM 858 C LYS A 57 17.337 3.246 9.857 1.00 0.00 C ATOM 859 O LYS A 57 17.296 3.956 8.852 1.00 0.00 O ATOM 860 CB LYS A 57 18.112 1.403 8.354 1.00 0.00 C ATOM 861 CG LYS A 57 19.283 2.041 7.625 1.00 0.00 C ATOM 862 CD LYS A 57 20.588 1.330 7.938 1.00 0.00 C ATOM 863 CE LYS A 57 21.694 1.749 6.982 1.00 0.00 C ATOM 864 NZ LYS A 57 22.303 3.050 7.375 1.00 0.00 N ATOM 0 H LYS A 57 16.341 0.574 10.086 1.00 0.00 H new ATOM 0 HA LYS A 57 18.962 1.917 10.260 1.00 0.00 H new ATOM 0 HB2 LYS A 57 18.228 0.319 8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 57 17.191 1.635 7.819 1.00 0.00 H new ATOM 0 HG2 LYS A 57 19.102 2.015 6.550 1.00 0.00 H new ATOM 0 HG3 LYS A 57 19.362 3.090 7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 57 20.888 1.552 8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 57 20.440 0.252 7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 57 22.465 0.979 6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 57 21.291 1.827 5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 23.052 3.301 6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 21.572 3.790 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 22.710 2.969 8.329 1.00 0.00 H new ATOM 878 N ARG A 58 16.846 3.625 11.032 1.00 0.00 N ATOM 879 CA ARG A 58 16.213 4.926 11.211 1.00 0.00 C ATOM 880 C ARG A 58 17.091 6.040 10.646 1.00 0.00 C ATOM 881 O ARG A 58 18.262 6.162 11.005 1.00 0.00 O ATOM 882 CB ARG A 58 15.937 5.183 12.694 1.00 0.00 C ATOM 883 CG ARG A 58 15.207 6.489 12.960 1.00 0.00 C ATOM 884 CD ARG A 58 15.219 6.842 14.440 1.00 0.00 C ATOM 885 NE ARG A 58 14.295 7.929 14.750 1.00 0.00 N ATOM 886 CZ ARG A 58 12.975 7.786 14.781 1.00 0.00 C ATOM 887 NH1 ARG A 58 12.426 6.607 14.523 1.00 0.00 N ATOM 888 NH2 ARG A 58 12.200 8.823 15.072 1.00 0.00 N ATOM 0 H ARG A 58 16.874 3.050 11.874 1.00 0.00 H new ATOM 0 HA ARG A 58 15.268 4.920 10.668 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.346 4.359 13.093 1.00 0.00 H new ATOM 0 HB3 ARG A 58 16.883 5.189 13.235 1.00 0.00 H new ATOM 0 HG2 ARG A 58 15.675 7.291 12.390 1.00 0.00 H new ATOM 0 HG3 ARG A 58 14.177 6.409 12.612 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.953 5.962 15.025 1.00 0.00 H new ATOM 0 HD3 ARG A 58 16.228 7.128 14.736 1.00 0.00 H new ATOM 0 HE ARG A 58 14.685 8.849 14.954 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.018 5.807 14.300 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.412 6.500 14.548 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.618 9.732 15.272 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.186 8.711 15.095 1.00 0.00 H new ATOM 902 N GLN A 59 16.516 6.847 9.761 1.00 0.00 N ATOM 903 CA GLN A 59 17.247 7.949 9.146 1.00 0.00 C ATOM 904 C GLN A 59 17.338 9.139 10.095 1.00 0.00 C ATOM 905 O GLN A 59 16.544 9.263 11.027 1.00 0.00 O ATOM 906 CB GLN A 59 16.569 8.373 7.841 1.00 0.00 C ATOM 907 CG GLN A 59 17.067 7.614 6.622 1.00 0.00 C ATOM 908 CD GLN A 59 17.148 6.119 6.859 1.00 0.00 C ATOM 909 OE1 GLN A 59 16.128 5.449 7.028 1.00 0.00 O ATOM 910 NE2 GLN A 59 18.364 5.586 6.871 1.00 0.00 N ATOM 0 H GLN A 59 15.547 6.759 9.454 1.00 0.00 H new ATOM 0 HA GLN A 59 18.258 7.604 8.927 1.00 0.00 H new ATOM 0 HB2 GLN A 59 15.493 8.226 7.936 1.00 0.00 H new ATOM 0 HB3 GLN A 59 16.732 9.440 7.686 1.00 0.00 H new ATOM 0 HG2 GLN A 59 16.402 7.809 5.781 1.00 0.00 H new ATOM 0 HG3 GLN A 59 18.052 7.988 6.343 1.00 0.00 H new ATOM 0 HE21 GLN A 59 19.182 6.178 6.727 1.00 0.00 H new ATOM 0 HE22 GLN A 59 18.480 4.584 7.025 1.00 0.00 H new ATOM 919 N GLU A 60 18.312 10.011 9.852 1.00 0.00 N ATOM 920 CA GLU A 60 18.507 11.190 10.687 1.00 0.00 C ATOM 921 C GLU A 60 17.450 12.249 10.389 1.00 0.00 C ATOM 922 O GLU A 60 17.653 13.124 9.547 1.00 0.00 O ATOM 923 CB GLU A 60 19.904 11.773 10.467 1.00 0.00 C ATOM 924 CG GLU A 60 20.119 13.114 11.148 1.00 0.00 C ATOM 925 CD GLU A 60 21.578 13.383 11.461 1.00 0.00 C ATOM 926 OE1 GLU A 60 22.298 13.865 10.562 1.00 0.00 O ATOM 927 OE2 GLU A 60 21.999 13.111 12.605 1.00 0.00 O ATOM 0 H GLU A 60 18.978 9.923 9.084 1.00 0.00 H new ATOM 0 HA GLU A 60 18.408 10.885 11.729 1.00 0.00 H new ATOM 0 HB2 GLU A 60 20.646 11.065 10.836 1.00 0.00 H new ATOM 0 HB3 GLU A 60 20.076 11.887 9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.737 13.908 10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 60 19.542 13.145 12.072 1.00 0.00 H new ATOM 934 N ARG A 61 16.320 12.162 11.084 1.00 0.00 N ATOM 935 CA ARG A 61 15.230 13.111 10.893 1.00 0.00 C ATOM 936 C ARG A 61 15.120 14.059 12.083 1.00 0.00 C ATOM 937 O ARG A 61 15.484 13.708 13.205 1.00 0.00 O ATOM 938 CB ARG A 61 13.908 12.367 10.695 1.00 0.00 C ATOM 939 CG ARG A 61 12.944 13.077 9.758 1.00 0.00 C ATOM 940 CD ARG A 61 13.201 12.703 8.307 1.00 0.00 C ATOM 941 NE ARG A 61 12.455 11.512 7.909 1.00 0.00 N ATOM 942 CZ ARG A 61 11.191 11.538 7.503 1.00 0.00 C ATOM 943 NH1 ARG A 61 10.535 12.688 7.442 1.00 0.00 N ATOM 944 NH2 ARG A 61 10.581 10.412 7.157 1.00 0.00 N ATOM 0 H ARG A 61 16.136 11.444 11.784 1.00 0.00 H new ATOM 0 HA ARG A 61 15.445 13.700 10.001 1.00 0.00 H new ATOM 0 HB2 ARG A 61 14.116 11.372 10.302 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.427 12.233 11.664 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.919 12.820 10.025 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.044 14.156 9.880 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.923 13.537 7.663 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.267 12.529 8.161 1.00 0.00 H new ATOM 0 HE ARG A 61 12.931 10.611 7.945 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.001 13.556 7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.564 12.705 7.130 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.083 9.525 7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.610 10.433 6.845 1.00 0.00 H new ATOM 958 N ARG A 62 14.616 15.263 11.829 1.00 0.00 N ATOM 959 CA ARG A 62 14.460 16.262 12.879 1.00 0.00 C ATOM 960 C ARG A 62 13.938 15.625 14.163 1.00 0.00 C ATOM 961 O ARG A 62 12.983 14.848 14.141 1.00 0.00 O ATOM 962 CB ARG A 62 13.506 17.368 12.422 1.00 0.00 C ATOM 963 CG ARG A 62 14.186 18.466 11.620 1.00 0.00 C ATOM 964 CD ARG A 62 13.234 19.094 10.615 1.00 0.00 C ATOM 965 NE ARG A 62 12.783 18.132 9.613 1.00 0.00 N ATOM 966 CZ ARG A 62 11.811 18.378 8.743 1.00 0.00 C ATOM 967 NH1 ARG A 62 11.190 19.550 8.751 1.00 0.00 N ATOM 968 NH2 ARG A 62 11.457 17.452 7.861 1.00 0.00 N ATOM 0 H ARG A 62 14.309 15.570 10.906 1.00 0.00 H new ATOM 0 HA ARG A 62 15.439 16.696 13.081 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.714 16.926 11.818 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.030 17.810 13.297 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.560 19.234 12.297 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.049 18.054 11.097 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.370 19.502 11.140 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.729 19.929 10.119 1.00 0.00 H new ATOM 0 HE ARG A 62 13.240 17.221 9.580 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.459 20.265 9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.444 19.736 8.081 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.932 16.549 7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.710 17.643 7.193 1.00 0.00 H new ATOM 982 N LYS A 63 14.572 15.958 15.283 1.00 0.00 N ATOM 983 CA LYS A 63 14.172 15.420 16.578 1.00 0.00 C ATOM 984 C LYS A 63 12.723 15.778 16.892 1.00 0.00 C ATOM 985 O LYS A 63 12.109 16.583 16.194 1.00 0.00 O ATOM 986 CB LYS A 63 15.091 15.952 17.680 1.00 0.00 C ATOM 987 CG LYS A 63 15.031 17.461 17.846 1.00 0.00 C ATOM 988 CD LYS A 63 15.946 17.936 18.962 1.00 0.00 C ATOM 989 CE LYS A 63 15.941 19.453 19.078 1.00 0.00 C ATOM 990 NZ LYS A 63 16.272 19.904 20.459 1.00 0.00 N ATOM 0 H LYS A 63 15.365 16.598 15.320 1.00 0.00 H new ATOM 0 HA LYS A 63 14.258 14.334 16.535 1.00 0.00 H new ATOM 0 HB2 LYS A 63 14.822 15.480 18.625 1.00 0.00 H new ATOM 0 HB3 LYS A 63 16.117 15.660 17.458 1.00 0.00 H new ATOM 0 HG2 LYS A 63 15.316 17.942 16.911 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.006 17.764 18.061 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.627 17.497 19.907 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.962 17.587 18.775 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.661 19.873 18.376 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.960 19.836 18.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.258 20.943 20.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.570 19.524 21.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.219 19.560 20.719 1.00 0.00 H new ATOM 1004 N GLN A 64 12.185 15.175 17.948 1.00 0.00 N ATOM 1005 CA GLN A 64 10.809 15.432 18.354 1.00 0.00 C ATOM 1006 C GLN A 64 10.756 16.466 19.474 1.00 0.00 C ATOM 1007 O GLN A 64 11.360 16.282 20.532 1.00 0.00 O ATOM 1008 CB GLN A 64 10.139 14.134 18.810 1.00 0.00 C ATOM 1009 CG GLN A 64 10.144 13.043 17.751 1.00 0.00 C ATOM 1010 CD GLN A 64 9.091 11.982 18.003 1.00 0.00 C ATOM 1011 OE1 GLN A 64 8.667 11.768 19.139 1.00 0.00 O ATOM 1012 NE2 GLN A 64 8.662 11.310 16.941 1.00 0.00 N ATOM 0 H GLN A 64 12.681 14.506 18.537 1.00 0.00 H new ATOM 0 HA GLN A 64 10.270 15.828 17.493 1.00 0.00 H new ATOM 0 HB2 GLN A 64 10.647 13.766 19.701 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.109 14.347 19.095 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.976 13.491 16.772 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.128 12.574 17.722 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.041 11.520 16.017 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.954 10.584 17.049 1.00 0.00 H new ATOM 1021 N LEU A 65 10.031 17.553 19.235 1.00 0.00 N ATOM 1022 CA LEU A 65 9.899 18.617 20.223 1.00 0.00 C ATOM 1023 C LEU A 65 9.263 18.093 21.507 1.00 0.00 C ATOM 1024 O LEU A 65 8.430 17.186 21.474 1.00 0.00 O ATOM 1025 CB LEU A 65 9.060 19.765 19.657 1.00 0.00 C ATOM 1026 CG LEU A 65 7.693 19.381 19.089 1.00 0.00 C ATOM 1027 CD1 LEU A 65 6.703 20.522 19.262 1.00 0.00 C ATOM 1028 CD2 LEU A 65 7.815 18.995 17.622 1.00 0.00 C ATOM 0 H LEU A 65 9.525 17.721 18.365 1.00 0.00 H new ATOM 0 HA LEU A 65 10.897 18.986 20.458 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.909 20.502 20.446 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.634 20.254 18.870 1.00 0.00 H new ATOM 0 HG LEU A 65 7.320 18.518 19.641 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.736 20.230 18.852 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.593 20.751 20.322 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.069 21.404 18.736 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.833 18.725 17.234 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.209 19.839 17.055 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.490 18.145 17.524 1.00 0.00 H new ATOM 1040 N LEU A 66 9.660 18.670 22.636 1.00 0.00 N ATOM 1041 CA LEU A 66 9.127 18.263 23.931 1.00 0.00 C ATOM 1042 C LEU A 66 9.365 19.343 24.982 1.00 0.00 C ATOM 1043 O LEU A 66 9.968 20.378 24.697 1.00 0.00 O ATOM 1044 CB LEU A 66 9.770 16.949 24.379 1.00 0.00 C ATOM 1045 CG LEU A 66 11.294 16.954 24.499 1.00 0.00 C ATOM 1046 CD1 LEU A 66 11.720 17.439 25.876 1.00 0.00 C ATOM 1047 CD2 LEU A 66 11.856 15.567 24.222 1.00 0.00 C ATOM 0 H LEU A 66 10.349 19.421 22.681 1.00 0.00 H new ATOM 0 HA LEU A 66 8.052 18.117 23.824 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.350 16.674 25.347 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.484 16.169 23.674 1.00 0.00 H new ATOM 0 HG LEU A 66 11.695 17.642 23.754 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.808 17.436 25.942 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.350 18.452 26.036 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.308 16.778 26.638 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.942 15.590 24.312 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.447 14.858 24.942 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.582 15.258 23.213 1.00 0.00 H new ATOM 1059 N SER A 67 8.890 19.093 26.198 1.00 0.00 N ATOM 1060 CA SER A 67 9.050 20.045 27.291 1.00 0.00 C ATOM 1061 C SER A 67 10.393 20.761 27.195 1.00 0.00 C ATOM 1062 O SER A 67 11.389 20.184 26.759 1.00 0.00 O ATOM 1063 CB SER A 67 8.936 19.329 28.639 1.00 0.00 C ATOM 1064 OG SER A 67 8.931 20.257 29.710 1.00 0.00 O ATOM 0 H SER A 67 8.392 18.240 26.451 1.00 0.00 H new ATOM 0 HA SER A 67 8.256 20.787 27.213 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.022 18.736 28.663 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.769 18.636 28.758 1.00 0.00 H new ATOM 0 HG SER A 67 8.856 19.775 30.560 1.00 0.00 H new ATOM 1070 N LYS A 68 10.413 22.025 27.607 1.00 0.00 N ATOM 1071 CA LYS A 68 11.633 22.823 27.570 1.00 0.00 C ATOM 1072 C LYS A 68 12.633 22.336 28.613 1.00 0.00 C ATOM 1073 O LYS A 68 12.266 22.054 29.753 1.00 0.00 O ATOM 1074 CB LYS A 68 11.308 24.299 27.808 1.00 0.00 C ATOM 1075 CG LYS A 68 10.689 24.574 29.168 1.00 0.00 C ATOM 1076 CD LYS A 68 9.887 25.864 29.165 1.00 0.00 C ATOM 1077 CE LYS A 68 8.541 25.682 28.481 1.00 0.00 C ATOM 1078 NZ LYS A 68 7.535 26.668 28.964 1.00 0.00 N ATOM 0 H LYS A 68 9.598 22.518 27.970 1.00 0.00 H new ATOM 0 HA LYS A 68 12.082 22.711 26.583 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.222 24.884 27.709 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.625 24.642 27.031 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.042 23.743 29.449 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.475 24.635 29.921 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.733 26.200 30.190 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.453 26.644 28.656 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.664 25.787 27.403 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.175 24.671 28.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.631 26.511 28.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.398 26.551 29.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.872 27.632 28.768 1.00 0.00 H new ATOM 1092 N GLN A 69 13.898 22.242 28.215 1.00 0.00 N ATOM 1093 CA GLN A 69 14.951 21.791 29.118 1.00 0.00 C ATOM 1094 C GLN A 69 16.328 22.001 28.497 1.00 0.00 C ATOM 1095 O GLN A 69 16.526 21.764 27.305 1.00 0.00 O ATOM 1096 CB GLN A 69 14.755 20.314 29.464 1.00 0.00 C ATOM 1097 CG GLN A 69 15.318 19.928 30.823 1.00 0.00 C ATOM 1098 CD GLN A 69 15.463 18.428 30.990 1.00 0.00 C ATOM 1099 OE1 GLN A 69 15.837 17.721 30.055 1.00 0.00 O ATOM 1100 NE2 GLN A 69 15.166 17.935 32.187 1.00 0.00 N ATOM 0 H GLN A 69 14.218 22.472 27.274 1.00 0.00 H new ATOM 0 HA GLN A 69 14.891 22.383 30.031 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.690 20.082 29.442 1.00 0.00 H new ATOM 0 HB3 GLN A 69 15.230 19.703 28.696 1.00 0.00 H new ATOM 0 HG2 GLN A 69 16.291 20.400 30.956 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.666 20.316 31.606 1.00 0.00 H new ATOM 0 HE21 GLN A 69 14.860 18.559 32.934 1.00 0.00 H new ATOM 0 HE22 GLN A 69 15.244 16.933 32.360 1.00 0.00 H new ATOM 1109 N LYS A 70 17.276 22.450 29.312 1.00 0.00 N ATOM 1110 CA LYS A 70 18.636 22.692 28.844 1.00 0.00 C ATOM 1111 C LYS A 70 19.623 22.672 30.006 1.00 0.00 C ATOM 1112 O LYS A 70 19.262 22.968 31.145 1.00 0.00 O ATOM 1113 CB LYS A 70 18.715 24.037 28.117 1.00 0.00 C ATOM 1114 CG LYS A 70 18.273 25.215 28.968 1.00 0.00 C ATOM 1115 CD LYS A 70 19.432 25.798 29.759 1.00 0.00 C ATOM 1116 CE LYS A 70 18.976 26.937 30.658 1.00 0.00 C ATOM 1117 NZ LYS A 70 19.953 27.207 31.749 1.00 0.00 N ATOM 0 H LYS A 70 17.128 22.654 30.300 1.00 0.00 H new ATOM 0 HA LYS A 70 18.902 21.894 28.151 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.741 24.202 27.787 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.095 23.994 27.222 1.00 0.00 H new ATOM 0 HG2 LYS A 70 17.844 25.986 28.328 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.488 24.896 29.653 1.00 0.00 H new ATOM 0 HD2 LYS A 70 19.890 25.016 30.365 1.00 0.00 H new ATOM 0 HD3 LYS A 70 20.197 26.159 29.072 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.840 27.839 30.061 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.006 26.692 31.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.606 27.990 32.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.064 26.354 32.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.872 27.466 31.336 1.00 0.00 H new ATOM 1131 N TYR A 71 20.870 22.322 29.711 1.00 0.00 N ATOM 1132 CA TYR A 71 21.909 22.263 30.732 1.00 0.00 C ATOM 1133 C TYR A 71 23.081 23.171 30.371 1.00 0.00 C ATOM 1134 O TYR A 71 23.396 24.114 31.097 1.00 0.00 O ATOM 1135 CB TYR A 71 22.400 20.824 30.907 1.00 0.00 C ATOM 1136 CG TYR A 71 21.556 20.008 31.859 1.00 0.00 C ATOM 1137 CD1 TYR A 71 20.225 19.728 31.575 1.00 0.00 C ATOM 1138 CD2 TYR A 71 22.090 19.516 33.044 1.00 0.00 C ATOM 1139 CE1 TYR A 71 19.451 18.983 32.443 1.00 0.00 C ATOM 1140 CE2 TYR A 71 21.323 18.769 33.917 1.00 0.00 C ATOM 1141 CZ TYR A 71 20.004 18.506 33.612 1.00 0.00 C ATOM 1142 OH TYR A 71 19.236 17.763 34.479 1.00 0.00 O ATOM 0 H TYR A 71 21.186 22.075 28.773 1.00 0.00 H new ATOM 0 HA TYR A 71 21.479 22.611 31.671 1.00 0.00 H new ATOM 0 HB2 TYR A 71 22.413 20.333 29.934 1.00 0.00 H new ATOM 0 HB3 TYR A 71 23.428 20.841 31.269 1.00 0.00 H new ATOM 0 HD1 TYR A 71 19.788 20.099 30.660 1.00 0.00 H new ATOM 0 HD2 TYR A 71 23.122 19.721 33.287 1.00 0.00 H new ATOM 0 HE1 TYR A 71 18.418 18.775 32.207 1.00 0.00 H new ATOM 0 HE2 TYR A 71 21.754 18.393 34.833 1.00 0.00 H new ATOM 0 HH TYR A 71 19.776 17.503 35.254 1.00 0.00 H new ATOM 1152 N ALA A 72 23.721 22.880 29.243 1.00 0.00 N ATOM 1153 CA ALA A 72 24.856 23.671 28.783 1.00 0.00 C ATOM 1154 C ALA A 72 25.314 23.221 27.400 1.00 0.00 C ATOM 1155 O ALA A 72 24.810 22.237 26.859 1.00 0.00 O ATOM 1156 CB ALA A 72 26.003 23.577 29.778 1.00 0.00 C ATOM 0 H ALA A 72 23.473 22.103 28.631 1.00 0.00 H new ATOM 0 HA ALA A 72 24.537 24.711 28.711 1.00 0.00 H new ATOM 0 HB1 ALA A 72 26.844 24.172 29.422 1.00 0.00 H new ATOM 0 HB2 ALA A 72 25.676 23.954 30.747 1.00 0.00 H new ATOM 0 HB3 ALA A 72 26.312 22.537 29.879 1.00 0.00 H new ATOM 1162 N ASP A 73 26.272 23.947 26.835 1.00 0.00 N ATOM 1163 CA ASP A 73 26.799 23.622 25.514 1.00 0.00 C ATOM 1164 C ASP A 73 28.245 24.086 25.377 1.00 0.00 C ATOM 1165 O ASP A 73 28.735 24.872 26.186 1.00 0.00 O ATOM 1166 CB ASP A 73 25.938 24.265 24.426 1.00 0.00 C ATOM 1167 CG ASP A 73 25.929 23.458 23.142 1.00 0.00 C ATOM 1168 OD1 ASP A 73 26.893 22.698 22.912 1.00 0.00 O ATOM 1169 OD2 ASP A 73 24.958 23.585 22.368 1.00 0.00 O ATOM 0 H ASP A 73 26.700 24.764 27.270 1.00 0.00 H new ATOM 0 HA ASP A 73 26.771 22.539 25.395 1.00 0.00 H new ATOM 0 HB2 ASP A 73 24.917 24.373 24.791 1.00 0.00 H new ATOM 0 HB3 ASP A 73 26.310 25.268 24.218 1.00 0.00 H new ATOM 1174 N GLY A 74 28.925 23.592 24.346 1.00 0.00 N ATOM 1175 CA GLY A 74 30.309 23.966 24.122 1.00 0.00 C ATOM 1176 C GLY A 74 30.869 23.377 22.843 1.00 0.00 C ATOM 1177 O GLY A 74 30.244 22.520 22.221 1.00 0.00 O ATOM 0 H GLY A 74 28.542 22.939 23.662 1.00 0.00 H new ATOM 0 HA2 GLY A 74 30.387 25.053 24.082 1.00 0.00 H new ATOM 0 HA3 GLY A 74 30.913 23.634 24.966 1.00 0.00 H new ATOM 1181 N ALA A 75 32.051 23.840 22.448 1.00 0.00 N ATOM 1182 CA ALA A 75 32.695 23.353 21.235 1.00 0.00 C ATOM 1183 C ALA A 75 34.196 23.624 21.264 1.00 0.00 C ATOM 1184 O ALA A 75 34.708 24.236 22.201 1.00 0.00 O ATOM 1185 CB ALA A 75 32.065 23.995 20.008 1.00 0.00 C ATOM 0 H ALA A 75 32.581 24.552 22.951 1.00 0.00 H new ATOM 0 HA ALA A 75 32.547 22.274 21.183 1.00 0.00 H new ATOM 0 HB1 ALA A 75 32.556 23.622 19.109 1.00 0.00 H new ATOM 0 HB2 ALA A 75 31.004 23.747 19.972 1.00 0.00 H new ATOM 0 HB3 ALA A 75 32.183 25.077 20.063 1.00 0.00 H new ATOM 1191 N PHE A 76 34.895 23.163 20.232 1.00 0.00 N ATOM 1192 CA PHE A 76 36.338 23.355 20.140 1.00 0.00 C ATOM 1193 C PHE A 76 36.818 23.194 18.700 1.00 0.00 C ATOM 1194 O PHE A 76 36.093 22.684 17.847 1.00 0.00 O ATOM 1195 CB PHE A 76 37.065 22.358 21.046 1.00 0.00 C ATOM 1196 CG PHE A 76 38.473 22.764 21.375 1.00 0.00 C ATOM 1197 CD1 PHE A 76 38.728 23.952 22.041 1.00 0.00 C ATOM 1198 CD2 PHE A 76 39.542 21.957 21.019 1.00 0.00 C ATOM 1199 CE1 PHE A 76 40.022 24.328 22.347 1.00 0.00 C ATOM 1200 CE2 PHE A 76 40.838 22.328 21.322 1.00 0.00 C ATOM 1201 CZ PHE A 76 41.079 23.515 21.985 1.00 0.00 C ATOM 0 H PHE A 76 34.486 22.654 19.448 1.00 0.00 H new ATOM 0 HA PHE A 76 36.566 24.369 20.469 1.00 0.00 H new ATOM 0 HB2 PHE A 76 36.502 22.244 21.973 1.00 0.00 H new ATOM 0 HB3 PHE A 76 37.081 21.382 20.560 1.00 0.00 H new ATOM 0 HD1 PHE A 76 37.905 24.592 22.324 1.00 0.00 H new ATOM 0 HD2 PHE A 76 39.360 21.028 20.499 1.00 0.00 H new ATOM 0 HE1 PHE A 76 40.207 25.256 22.868 1.00 0.00 H new ATOM 0 HE2 PHE A 76 41.662 21.690 21.040 1.00 0.00 H new ATOM 0 HZ PHE A 76 42.092 23.807 22.220 1.00 0.00 H new ATOM 1211 N ALA A 77 38.044 23.634 18.439 1.00 0.00 N ATOM 1212 CA ALA A 77 38.622 23.539 17.104 1.00 0.00 C ATOM 1213 C ALA A 77 40.083 23.973 17.106 1.00 0.00 C ATOM 1214 O ALA A 77 40.552 24.604 18.053 1.00 0.00 O ATOM 1215 CB ALA A 77 37.821 24.379 16.121 1.00 0.00 C ATOM 0 H ALA A 77 38.657 24.060 19.134 1.00 0.00 H new ATOM 0 HA ALA A 77 38.581 22.496 16.791 1.00 0.00 H new ATOM 0 HB1 ALA A 77 38.264 24.299 15.128 1.00 0.00 H new ATOM 0 HB2 ALA A 77 36.792 24.020 16.089 1.00 0.00 H new ATOM 0 HB3 ALA A 77 37.832 25.421 16.440 1.00 0.00 H new ATOM 1221 N ASP A 78 40.799 23.629 16.041 1.00 0.00 N ATOM 1222 CA ASP A 78 42.208 23.984 15.919 1.00 0.00 C ATOM 1223 C ASP A 78 42.741 23.629 14.535 1.00 0.00 C ATOM 1224 O ASP A 78 42.135 22.841 13.808 1.00 0.00 O ATOM 1225 CB ASP A 78 43.030 23.270 16.994 1.00 0.00 C ATOM 1226 CG ASP A 78 43.245 21.803 16.679 1.00 0.00 C ATOM 1227 OD1 ASP A 78 42.306 21.007 16.887 1.00 0.00 O ATOM 1228 OD2 ASP A 78 44.353 21.451 16.223 1.00 0.00 O ATOM 0 H ASP A 78 40.426 23.104 15.249 1.00 0.00 H new ATOM 0 HA ASP A 78 42.299 25.061 16.058 1.00 0.00 H new ATOM 0 HB2 ASP A 78 43.997 23.763 17.095 1.00 0.00 H new ATOM 0 HB3 ASP A 78 42.524 23.362 17.955 1.00 0.00 H new ATOM 1233 N PHE A 79 43.877 24.217 14.175 1.00 0.00 N ATOM 1234 CA PHE A 79 44.490 23.964 12.876 1.00 0.00 C ATOM 1235 C PHE A 79 45.922 23.461 13.039 1.00 0.00 C ATOM 1236 O PHE A 79 46.430 23.350 14.155 1.00 0.00 O ATOM 1237 CB PHE A 79 44.479 25.237 12.027 1.00 0.00 C ATOM 1238 CG PHE A 79 45.390 26.312 12.545 1.00 0.00 C ATOM 1239 CD1 PHE A 79 44.949 27.209 13.505 1.00 0.00 C ATOM 1240 CD2 PHE A 79 46.688 26.426 12.073 1.00 0.00 C ATOM 1241 CE1 PHE A 79 45.786 28.200 13.983 1.00 0.00 C ATOM 1242 CE2 PHE A 79 47.529 27.414 12.548 1.00 0.00 C ATOM 1243 CZ PHE A 79 47.078 28.302 13.505 1.00 0.00 C ATOM 0 H PHE A 79 44.392 24.872 14.764 1.00 0.00 H new ATOM 0 HA PHE A 79 43.908 23.193 12.371 1.00 0.00 H new ATOM 0 HB2 PHE A 79 44.770 24.986 11.007 1.00 0.00 H new ATOM 0 HB3 PHE A 79 43.461 25.625 11.982 1.00 0.00 H new ATOM 0 HD1 PHE A 79 43.940 27.133 13.884 1.00 0.00 H new ATOM 0 HD2 PHE A 79 47.046 25.734 11.325 1.00 0.00 H new ATOM 0 HE1 PHE A 79 45.430 28.894 14.730 1.00 0.00 H new ATOM 0 HE2 PHE A 79 48.538 27.492 12.171 1.00 0.00 H new ATOM 0 HZ PHE A 79 47.734 29.074 13.879 1.00 0.00 H new ATOM 1253 N LYS A 80 46.567 23.158 11.918 1.00 0.00 N ATOM 1254 CA LYS A 80 47.940 22.668 11.934 1.00 0.00 C ATOM 1255 C LYS A 80 48.891 23.692 11.322 1.00 0.00 C ATOM 1256 O LYS A 80 49.806 24.177 11.987 1.00 0.00 O ATOM 1257 CB LYS A 80 48.039 21.344 11.171 1.00 0.00 C ATOM 1258 CG LYS A 80 49.260 20.519 11.541 1.00 0.00 C ATOM 1259 CD LYS A 80 50.444 20.842 10.645 1.00 0.00 C ATOM 1260 CE LYS A 80 51.723 20.201 11.159 1.00 0.00 C ATOM 1261 NZ LYS A 80 52.097 20.712 12.507 1.00 0.00 N ATOM 0 H LYS A 80 46.161 23.243 10.986 1.00 0.00 H new ATOM 0 HA LYS A 80 48.229 22.505 12.972 1.00 0.00 H new ATOM 0 HB2 LYS A 80 47.142 20.756 11.363 1.00 0.00 H new ATOM 0 HB3 LYS A 80 48.062 21.552 10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 80 49.527 20.709 12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 80 49.021 19.458 11.462 1.00 0.00 H new ATOM 0 HD2 LYS A 80 50.242 20.492 9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 80 50.575 21.923 10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 80 51.595 19.119 11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 80 52.535 20.397 10.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 53.110 20.545 12.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 51.901 21.732 12.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 51.541 20.216 13.233 1.00 0.00 H new ATOM 1275 N GLN A 81 48.667 24.016 10.053 1.00 0.00 N ATOM 1276 CA GLN A 81 49.504 24.983 9.353 1.00 0.00 C ATOM 1277 C GLN A 81 48.944 25.285 7.966 1.00 0.00 C ATOM 1278 O GLN A 81 47.911 24.744 7.573 1.00 0.00 O ATOM 1279 CB GLN A 81 50.936 24.459 9.234 1.00 0.00 C ATOM 1280 CG GLN A 81 51.144 23.516 8.060 1.00 0.00 C ATOM 1281 CD GLN A 81 52.609 23.233 7.790 1.00 0.00 C ATOM 1282 OE1 GLN A 81 53.430 23.222 8.708 1.00 0.00 O ATOM 1283 NE2 GLN A 81 52.944 23.003 6.527 1.00 0.00 N ATOM 0 H GLN A 81 47.913 23.623 9.489 1.00 0.00 H new ATOM 0 HA GLN A 81 49.510 25.906 9.932 1.00 0.00 H new ATOM 0 HB2 GLN A 81 51.616 25.305 9.135 1.00 0.00 H new ATOM 0 HB3 GLN A 81 51.203 23.942 10.156 1.00 0.00 H new ATOM 0 HG2 GLN A 81 50.627 22.577 8.257 1.00 0.00 H new ATOM 0 HG3 GLN A 81 50.691 23.948 7.168 1.00 0.00 H new ATOM 0 HE21 GLN A 81 52.230 23.022 5.798 1.00 0.00 H new ATOM 0 HE22 GLN A 81 53.915 22.807 6.285 1.00 0.00 H new ATOM 1292 N GLU A 82 49.634 26.152 7.231 1.00 0.00 N ATOM 1293 CA GLU A 82 49.204 26.526 5.889 1.00 0.00 C ATOM 1294 C GLU A 82 50.396 26.616 4.941 1.00 0.00 C ATOM 1295 O GLU A 82 51.533 26.805 5.373 1.00 0.00 O ATOM 1296 CB GLU A 82 48.461 27.863 5.921 1.00 0.00 C ATOM 1297 CG GLU A 82 47.562 28.090 4.718 1.00 0.00 C ATOM 1298 CD GLU A 82 46.486 29.126 4.980 1.00 0.00 C ATOM 1299 OE1 GLU A 82 45.442 28.764 5.561 1.00 0.00 O ATOM 1300 OE2 GLU A 82 46.690 30.299 4.603 1.00 0.00 O ATOM 0 H GLU A 82 50.492 26.608 7.542 1.00 0.00 H new ATOM 0 HA GLU A 82 48.529 25.753 5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 82 47.859 27.912 6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 82 49.189 28.672 5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 82 48.169 28.409 3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 82 47.093 27.147 4.437 1.00 0.00 H new ATOM 1307 N SER A 83 50.127 26.479 3.647 1.00 0.00 N ATOM 1308 CA SER A 83 51.177 26.541 2.637 1.00 0.00 C ATOM 1309 C SER A 83 50.608 26.962 1.286 1.00 0.00 C ATOM 1310 O SER A 83 49.394 26.968 1.085 1.00 0.00 O ATOM 1311 CB SER A 83 51.872 25.183 2.509 1.00 0.00 C ATOM 1312 OG SER A 83 53.218 25.336 2.096 1.00 0.00 O ATOM 0 H SER A 83 49.191 26.324 3.273 1.00 0.00 H new ATOM 0 HA SER A 83 51.906 27.287 2.953 1.00 0.00 H new ATOM 0 HB2 SER A 83 51.839 24.662 3.466 1.00 0.00 H new ATOM 0 HB3 SER A 83 51.336 24.563 1.790 1.00 0.00 H new ATOM 0 HG SER A 83 53.640 24.455 2.023 1.00 0.00 H new ATOM 1318 N GLY A 84 51.495 27.316 0.361 1.00 0.00 N ATOM 1319 CA GLY A 84 51.063 27.734 -0.960 1.00 0.00 C ATOM 1320 C GLY A 84 52.151 27.574 -2.004 1.00 0.00 C ATOM 1321 O GLY A 84 53.212 28.193 -1.926 1.00 0.00 O ATOM 0 H GLY A 84 52.505 27.321 0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 84 50.192 27.150 -1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 84 50.750 28.777 -0.923 1.00 0.00 H new ATOM 1325 N PRO A 85 51.892 26.723 -3.008 1.00 0.00 N ATOM 1326 CA PRO A 85 52.846 26.462 -4.090 1.00 0.00 C ATOM 1327 C PRO A 85 53.012 27.661 -5.018 1.00 0.00 C ATOM 1328 O PRO A 85 52.313 28.665 -4.882 1.00 0.00 O ATOM 1329 CB PRO A 85 52.216 25.287 -4.842 1.00 0.00 C ATOM 1330 CG PRO A 85 50.758 25.392 -4.556 1.00 0.00 C ATOM 1331 CD PRO A 85 50.648 25.951 -3.164 1.00 0.00 C ATOM 0 HA PRO A 85 53.847 26.256 -3.710 1.00 0.00 H new ATOM 0 HB2 PRO A 85 52.415 25.349 -5.912 1.00 0.00 H new ATOM 0 HB3 PRO A 85 52.619 24.335 -4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 85 50.265 26.043 -5.278 1.00 0.00 H new ATOM 0 HG3 PRO A 85 50.276 24.417 -4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 85 49.766 26.582 -3.053 1.00 0.00 H new ATOM 0 HD3 PRO A 85 50.570 25.160 -2.418 1.00 0.00 H new ATOM 1339 N SER A 86 53.941 27.548 -5.962 1.00 0.00 N ATOM 1340 CA SER A 86 54.201 28.625 -6.911 1.00 0.00 C ATOM 1341 C SER A 86 54.827 28.081 -8.191 1.00 0.00 C ATOM 1342 O SER A 86 55.506 27.054 -8.176 1.00 0.00 O ATOM 1343 CB SER A 86 55.122 29.674 -6.285 1.00 0.00 C ATOM 1344 OG SER A 86 54.375 30.667 -5.605 1.00 0.00 O ATOM 0 H SER A 86 54.526 26.722 -6.090 1.00 0.00 H new ATOM 0 HA SER A 86 53.249 29.092 -7.163 1.00 0.00 H new ATOM 0 HB2 SER A 86 55.809 29.191 -5.590 1.00 0.00 H new ATOM 0 HB3 SER A 86 55.729 30.139 -7.061 1.00 0.00 H new ATOM 0 HG SER A 86 53.572 30.263 -5.215 1.00 0.00 H new ATOM 1350 N SER A 87 54.593 28.777 -9.299 1.00 0.00 N ATOM 1351 CA SER A 87 55.130 28.363 -10.590 1.00 0.00 C ATOM 1352 C SER A 87 55.232 29.551 -11.542 1.00 0.00 C ATOM 1353 O SER A 87 54.859 30.671 -11.197 1.00 0.00 O ATOM 1354 CB SER A 87 54.250 27.274 -11.207 1.00 0.00 C ATOM 1355 OG SER A 87 54.460 26.026 -10.569 1.00 0.00 O ATOM 0 H SER A 87 54.035 29.630 -9.329 1.00 0.00 H new ATOM 0 HA SER A 87 56.131 27.963 -10.428 1.00 0.00 H new ATOM 0 HB2 SER A 87 53.201 27.558 -11.121 1.00 0.00 H new ATOM 0 HB3 SER A 87 54.470 27.184 -12.271 1.00 0.00 H new ATOM 0 HG SER A 87 54.956 26.164 -9.735 1.00 0.00 H new ATOM 1361 N GLY A 88 55.741 29.296 -12.744 1.00 0.00 N ATOM 1362 CA GLY A 88 55.883 30.353 -13.728 1.00 0.00 C ATOM 1363 C GLY A 88 54.940 30.182 -14.903 1.00 0.00 C ATOM 1364 O GLY A 88 53.792 29.791 -14.697 1.00 0.00 O ATOM 0 H GLY A 88 56.057 28.377 -13.053 1.00 0.00 H new ATOM 0 HA2 GLY A 88 55.695 31.316 -13.252 1.00 0.00 H new ATOM 0 HA3 GLY A 88 56.911 30.372 -14.091 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 1.997 -5.454 4.028 1.00 0.00 ZN