USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 544 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 63 CYS SG : rot 24:sc= 1.05 USER MOD Set 1.2: A 70 MET CE :methyl -162:sc= -2.08 (180deg=-2.3) USER MOD Single : A 4 MET CE :methyl -130:sc= -1 (180deg=-2!) USER MOD Single : A 9 LYS NZ :NH3+ -141:sc= -0.406 (180deg=-2.15!) USER MOD Single : A 13 THR OG1 : rot -97:sc= 1.09 USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00136) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 5:sc= -5.1! USER MOD Single : A 30 THR OG1 : rot -36:sc= 0.174 USER MOD Single : A 33 SER OG : rot 87:sc= 1.23 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.55 USER MOD Single : A 40 GLN : amide:sc= -0.0674 X(o=-0.067,f=-0.34) USER MOD Single : A 42 MET CE :methyl -120:sc= 0 (180deg=-0.000663) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 177:sc= 1.27 USER MOD Single : A 64 ASN : amide:sc= -0.699 K(o=-0.7,f=-1.9) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 7.470 -0.992 -2.836 1.00 0.00 N ATOM 24 CA ASP A 3 8.012 -0.901 -4.186 1.00 0.00 C ATOM 25 C ASP A 3 8.781 -2.167 -4.551 1.00 0.00 C ATOM 26 O ASP A 3 8.762 -2.607 -5.700 1.00 0.00 O ATOM 27 CB ASP A 3 8.927 0.319 -4.310 1.00 0.00 C ATOM 28 CG ASP A 3 8.182 1.624 -4.109 1.00 0.00 C ATOM 29 OD1 ASP A 3 7.103 1.792 -4.716 1.00 0.00 O ATOM 30 OD2 ASP A 3 8.677 2.477 -3.344 1.00 0.00 O ATOM 0 HA ASP A 3 7.177 -0.793 -4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.729 0.245 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.396 0.319 -5.294 1.00 0.00 H new ATOM 35 N MET A 4 9.456 -2.748 -3.564 1.00 0.00 N ATOM 36 CA MET A 4 10.231 -3.964 -3.781 1.00 0.00 C ATOM 37 C MET A 4 9.802 -5.062 -2.813 1.00 0.00 C ATOM 38 O MET A 4 9.875 -6.247 -3.135 1.00 0.00 O ATOM 39 CB MET A 4 11.725 -3.678 -3.617 1.00 0.00 C ATOM 40 CG MET A 4 12.081 -3.056 -2.276 1.00 0.00 C ATOM 41 SD MET A 4 12.014 -1.255 -2.306 1.00 0.00 S ATOM 42 CE MET A 4 13.246 -0.891 -3.555 1.00 0.00 C ATOM 0 H MET A 4 9.482 -2.396 -2.607 1.00 0.00 H new ATOM 0 HA MET A 4 10.044 -4.308 -4.798 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.280 -4.609 -3.735 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.049 -3.010 -4.415 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.396 -3.428 -1.514 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.083 -3.374 -1.987 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.939 -0.141 -3.174 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.794 -1.800 -3.801 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.755 -0.510 -4.450 1.00 0.00 H new ATOM 52 N GLU A 5 9.355 -4.659 -1.628 1.00 0.00 N ATOM 53 CA GLU A 5 8.915 -5.610 -0.614 1.00 0.00 C ATOM 54 C GLU A 5 7.857 -6.555 -1.177 1.00 0.00 C ATOM 55 O GLU A 5 7.955 -7.773 -1.028 1.00 0.00 O ATOM 56 CB GLU A 5 8.359 -4.870 0.604 1.00 0.00 C ATOM 57 CG GLU A 5 9.394 -4.616 1.687 1.00 0.00 C ATOM 58 CD GLU A 5 8.773 -4.456 3.061 1.00 0.00 C ATOM 59 OE1 GLU A 5 8.446 -5.485 3.689 1.00 0.00 O ATOM 60 OE2 GLU A 5 8.613 -3.301 3.508 1.00 0.00 O ATOM 0 H GLU A 5 9.288 -3.681 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 5 9.778 -6.201 -0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.943 -3.916 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.538 -5.449 1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.104 -5.443 1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.959 -3.717 1.441 1.00 0.00 H new ATOM 67 N ARG A 6 6.846 -5.983 -1.823 1.00 0.00 N ATOM 68 CA ARG A 6 5.768 -6.773 -2.406 1.00 0.00 C ATOM 69 C ARG A 6 6.325 -7.876 -3.302 1.00 0.00 C ATOM 70 O ARG A 6 5.685 -8.908 -3.503 1.00 0.00 O ATOM 71 CB ARG A 6 4.827 -5.875 -3.211 1.00 0.00 C ATOM 72 CG ARG A 6 3.564 -6.579 -3.678 1.00 0.00 C ATOM 73 CD ARG A 6 2.510 -6.619 -2.582 1.00 0.00 C ATOM 74 NE ARG A 6 1.670 -5.425 -2.587 1.00 0.00 N ATOM 75 CZ ARG A 6 0.826 -5.116 -1.609 1.00 0.00 C ATOM 76 NH1 ARG A 6 0.711 -5.910 -0.553 1.00 0.00 N ATOM 77 NH2 ARG A 6 0.095 -4.012 -1.686 1.00 0.00 N ATOM 0 H ARG A 6 6.751 -4.976 -1.956 1.00 0.00 H new ATOM 0 HA ARG A 6 5.210 -7.236 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.549 -5.015 -2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.361 -5.490 -4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.162 -6.066 -4.552 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.806 -7.595 -3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.885 -7.502 -2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 6 2.999 -6.714 -1.612 1.00 0.00 H new ATOM 0 HE ARG A 6 1.735 -4.793 -3.385 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.271 -6.760 -0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.062 -5.671 0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.181 -3.399 -2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.553 -3.776 -0.934 1.00 0.00 H new ATOM 91 N ILE A 7 7.520 -7.649 -3.837 1.00 0.00 N ATOM 92 CA ILE A 7 8.163 -8.623 -4.710 1.00 0.00 C ATOM 93 C ILE A 7 9.059 -9.567 -3.915 1.00 0.00 C ATOM 94 O ILE A 7 8.992 -10.786 -4.075 1.00 0.00 O ATOM 95 CB ILE A 7 9.003 -7.934 -5.801 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.446 -6.540 -6.100 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.030 -8.782 -7.064 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.058 -5.895 -7.323 1.00 0.00 C ATOM 0 H ILE A 7 8.062 -6.799 -3.681 1.00 0.00 H new ATOM 0 HA ILE A 7 7.366 -9.195 -5.184 1.00 0.00 H new ATOM 0 HB ILE A 7 10.025 -7.826 -5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.367 -6.611 -6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.616 -5.897 -5.237 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.628 -8.281 -7.826 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.468 -9.755 -6.840 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.013 -8.919 -7.432 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.616 -4.910 -7.474 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.134 -5.792 -7.180 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.866 -6.517 -8.197 1.00 0.00 H new ATOM 110 N PHE A 8 9.896 -8.995 -3.055 1.00 0.00 N ATOM 111 CA PHE A 8 10.806 -9.785 -2.234 1.00 0.00 C ATOM 112 C PHE A 8 10.056 -10.900 -1.510 1.00 0.00 C ATOM 113 O PHE A 8 10.541 -12.027 -1.409 1.00 0.00 O ATOM 114 CB PHE A 8 11.517 -8.890 -1.217 1.00 0.00 C ATOM 115 CG PHE A 8 12.202 -9.654 -0.120 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.241 -10.524 -0.408 1.00 0.00 C ATOM 117 CD2 PHE A 8 11.805 -9.503 1.199 1.00 0.00 C ATOM 118 CE1 PHE A 8 13.873 -11.228 0.599 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.434 -10.205 2.210 1.00 0.00 C ATOM 120 CZ PHE A 8 13.469 -11.069 1.910 1.00 0.00 C ATOM 0 H PHE A 8 9.963 -7.988 -2.909 1.00 0.00 H new ATOM 0 HA PHE A 8 11.549 -10.237 -2.891 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.254 -8.278 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.791 -8.208 -0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.561 -10.653 -1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 8 10.996 -8.830 1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.682 -11.902 0.361 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.116 -10.078 3.234 1.00 0.00 H new ATOM 0 HZ PHE A 8 13.961 -11.619 2.699 1.00 0.00 H new ATOM 130 N LYS A 9 8.869 -10.576 -1.006 1.00 0.00 N ATOM 131 CA LYS A 9 8.050 -11.547 -0.292 1.00 0.00 C ATOM 132 C LYS A 9 7.554 -12.639 -1.234 1.00 0.00 C ATOM 133 O LYS A 9 7.381 -13.789 -0.831 1.00 0.00 O ATOM 134 CB LYS A 9 6.859 -10.851 0.372 1.00 0.00 C ATOM 135 CG LYS A 9 7.218 -10.123 1.655 1.00 0.00 C ATOM 136 CD LYS A 9 6.088 -9.220 2.118 1.00 0.00 C ATOM 137 CE LYS A 9 5.059 -9.988 2.933 1.00 0.00 C ATOM 138 NZ LYS A 9 4.190 -10.837 2.071 1.00 0.00 N ATOM 0 H LYS A 9 8.453 -9.647 -1.080 1.00 0.00 H new ATOM 0 HA LYS A 9 8.668 -12.009 0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.427 -10.139 -0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.090 -11.593 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.447 -10.849 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.118 -9.529 1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.494 -8.405 2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.604 -8.768 1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.569 -10.615 3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.441 -9.286 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.213 -10.807 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.214 -10.480 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.535 -11.818 2.089 1.00 0.00 H new ATOM 152 N ARG A 10 7.327 -12.271 -2.491 1.00 0.00 N ATOM 153 CA ARG A 10 6.852 -13.219 -3.491 1.00 0.00 C ATOM 154 C ARG A 10 7.934 -14.240 -3.831 1.00 0.00 C ATOM 155 O ARG A 10 7.660 -15.434 -3.954 1.00 0.00 O ATOM 156 CB ARG A 10 6.415 -12.481 -4.758 1.00 0.00 C ATOM 157 CG ARG A 10 4.932 -12.616 -5.060 1.00 0.00 C ATOM 158 CD ARG A 10 4.080 -12.112 -3.906 1.00 0.00 C ATOM 159 NE ARG A 10 2.814 -11.545 -4.366 1.00 0.00 N ATOM 160 CZ ARG A 10 2.067 -10.726 -3.634 1.00 0.00 C ATOM 161 NH1 ARG A 10 2.457 -10.379 -2.415 1.00 0.00 N ATOM 162 NH2 ARG A 10 0.928 -10.252 -4.122 1.00 0.00 N ATOM 0 H ARG A 10 7.465 -11.323 -2.841 1.00 0.00 H new ATOM 0 HA ARG A 10 5.996 -13.749 -3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.662 -11.424 -4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.986 -12.861 -5.605 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.691 -12.056 -5.963 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.694 -13.661 -5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.880 -12.933 -3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.634 -11.357 -3.349 1.00 0.00 H new ATOM 0 HE ARG A 10 2.486 -11.792 -5.300 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.333 -10.741 -2.037 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.881 -9.750 -1.855 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.626 -10.516 -5.060 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.355 -9.623 -3.560 1.00 0.00 H new ATOM 176 N PHE A 11 9.164 -13.761 -3.984 1.00 0.00 N ATOM 177 CA PHE A 11 10.288 -14.630 -4.311 1.00 0.00 C ATOM 178 C PHE A 11 10.782 -15.371 -3.072 1.00 0.00 C ATOM 179 O PHE A 11 11.337 -16.466 -3.170 1.00 0.00 O ATOM 180 CB PHE A 11 11.430 -13.815 -4.922 1.00 0.00 C ATOM 181 CG PHE A 11 11.102 -13.239 -6.269 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.702 -14.062 -7.310 1.00 0.00 C ATOM 183 CD2 PHE A 11 11.193 -11.876 -6.495 1.00 0.00 C ATOM 184 CE1 PHE A 11 10.401 -13.535 -8.552 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.892 -11.342 -7.735 1.00 0.00 C ATOM 186 CZ PHE A 11 10.494 -12.173 -8.764 1.00 0.00 C ATOM 0 H PHE A 11 9.408 -12.775 -3.887 1.00 0.00 H new ATOM 0 HA PHE A 11 9.946 -15.365 -5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.690 -13.003 -4.242 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.311 -14.450 -5.012 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.625 -15.127 -7.149 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.503 -11.222 -5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.093 -14.187 -9.356 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.968 -10.277 -7.898 1.00 0.00 H new ATOM 0 HZ PHE A 11 10.256 -11.759 -9.733 1.00 0.00 H new ATOM 196 N ASP A 12 10.578 -14.765 -1.908 1.00 0.00 N ATOM 197 CA ASP A 12 11.001 -15.366 -0.648 1.00 0.00 C ATOM 198 C ASP A 12 9.898 -16.244 -0.067 1.00 0.00 C ATOM 199 O ASP A 12 9.503 -16.082 1.089 1.00 0.00 O ATOM 200 CB ASP A 12 11.387 -14.279 0.356 1.00 0.00 C ATOM 201 CG ASP A 12 12.229 -14.816 1.496 1.00 0.00 C ATOM 202 OD1 ASP A 12 12.594 -16.009 1.452 1.00 0.00 O ATOM 203 OD2 ASP A 12 12.523 -14.044 2.433 1.00 0.00 O ATOM 0 H ASP A 12 10.122 -13.858 -1.810 1.00 0.00 H new ATOM 0 HA ASP A 12 11.871 -15.992 -0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.938 -13.492 -0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.483 -13.824 0.759 1.00 0.00 H new ATOM 208 N THR A 13 9.401 -17.175 -0.875 1.00 0.00 N ATOM 209 CA THR A 13 8.342 -18.078 -0.443 1.00 0.00 C ATOM 210 C THR A 13 8.843 -19.515 -0.363 1.00 0.00 C ATOM 211 O THR A 13 8.052 -20.458 -0.343 1.00 0.00 O ATOM 212 CB THR A 13 7.132 -18.020 -1.393 1.00 0.00 C ATOM 213 OG1 THR A 13 7.579 -17.944 -2.752 1.00 0.00 O ATOM 214 CG2 THR A 13 6.251 -16.821 -1.076 1.00 0.00 C ATOM 0 H THR A 13 9.716 -17.323 -1.834 1.00 0.00 H new ATOM 0 HA THR A 13 8.032 -17.749 0.549 1.00 0.00 H new ATOM 0 HB THR A 13 6.546 -18.928 -1.254 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.573 -17.009 -3.046 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.403 -16.802 -1.760 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.888 -16.897 -0.051 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.830 -15.904 -1.189 1.00 0.00 H new ATOM 255 N GLY A 17 14.921 -18.172 3.468 1.00 0.00 N ATOM 256 CA GLY A 17 15.246 -16.768 3.643 1.00 0.00 C ATOM 257 C GLY A 17 15.637 -16.097 2.342 1.00 0.00 C ATOM 258 O GLY A 17 15.072 -15.068 1.970 1.00 0.00 O ATOM 0 HA2 GLY A 17 14.388 -16.250 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.064 -16.674 4.357 1.00 0.00 H new ATOM 262 N LYS A 18 16.609 -16.678 1.647 1.00 0.00 N ATOM 263 CA LYS A 18 17.078 -16.131 0.379 1.00 0.00 C ATOM 264 C LYS A 18 16.011 -16.271 -0.702 1.00 0.00 C ATOM 265 O LYS A 18 14.879 -16.670 -0.422 1.00 0.00 O ATOM 266 CB LYS A 18 18.362 -16.837 -0.062 1.00 0.00 C ATOM 267 CG LYS A 18 19.475 -16.775 0.970 1.00 0.00 C ATOM 268 CD LYS A 18 20.828 -17.076 0.349 1.00 0.00 C ATOM 269 CE LYS A 18 21.968 -16.644 1.259 1.00 0.00 C ATOM 270 NZ LYS A 18 22.414 -15.253 0.967 1.00 0.00 N ATOM 0 H LYS A 18 17.088 -17.529 1.941 1.00 0.00 H new ATOM 0 HA LYS A 18 17.286 -15.071 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.137 -17.881 -0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.713 -16.387 -0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.495 -15.785 1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 18 19.273 -17.489 1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.907 -18.144 0.147 1.00 0.00 H new ATOM 0 HD3 LYS A 18 20.912 -16.563 -0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 18 21.648 -16.712 2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.808 -17.328 1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.180 -14.990 1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.759 -15.197 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 21.615 -14.599 1.090 1.00 0.00 H new ATOM 284 N ILE A 19 16.378 -15.944 -1.936 1.00 0.00 N ATOM 285 CA ILE A 19 15.453 -16.037 -3.058 1.00 0.00 C ATOM 286 C ILE A 19 16.180 -16.434 -4.338 1.00 0.00 C ATOM 287 O ILE A 19 17.349 -16.100 -4.530 1.00 0.00 O ATOM 288 CB ILE A 19 14.716 -14.705 -3.291 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.708 -13.611 -3.693 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.948 -14.299 -2.042 1.00 0.00 C ATOM 291 CD1 ILE A 19 15.052 -12.282 -3.993 1.00 0.00 C ATOM 0 H ILE A 19 17.310 -15.612 -2.184 1.00 0.00 H new ATOM 0 HA ILE A 19 14.724 -16.807 -2.804 1.00 0.00 H new ATOM 0 HB ILE A 19 14.003 -14.839 -4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.433 -13.476 -2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.263 -13.940 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 19 13.432 -13.356 -2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.218 -15.070 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.643 -14.180 -1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.815 -11.554 -4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.348 -12.402 -4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.520 -11.931 -3.109 1.00 0.00 H new ATOM 303 N SER A 20 15.479 -17.147 -5.214 1.00 0.00 N ATOM 304 CA SER A 20 16.058 -17.592 -6.476 1.00 0.00 C ATOM 305 C SER A 20 16.385 -16.402 -7.372 1.00 0.00 C ATOM 306 O SER A 20 15.604 -16.038 -8.252 1.00 0.00 O ATOM 307 CB SER A 20 15.096 -18.538 -7.197 1.00 0.00 C ATOM 308 OG SER A 20 14.631 -19.554 -6.326 1.00 0.00 O ATOM 0 H SER A 20 14.509 -17.429 -5.073 1.00 0.00 H new ATOM 0 HA SER A 20 16.983 -18.125 -6.256 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.249 -17.973 -7.586 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.598 -18.990 -8.052 1.00 0.00 H new ATOM 0 HG SER A 20 14.017 -20.144 -6.810 1.00 0.00 H new ATOM 314 N LEU A 21 17.547 -15.799 -7.143 1.00 0.00 N ATOM 315 CA LEU A 21 17.980 -14.649 -7.929 1.00 0.00 C ATOM 316 C LEU A 21 17.951 -14.967 -9.420 1.00 0.00 C ATOM 317 O LEU A 21 17.479 -14.165 -10.227 1.00 0.00 O ATOM 318 CB LEU A 21 19.390 -14.225 -7.514 1.00 0.00 C ATOM 319 CG LEU A 21 20.114 -13.275 -8.469 1.00 0.00 C ATOM 320 CD1 LEU A 21 20.743 -14.049 -9.617 1.00 0.00 C ATOM 321 CD2 LEU A 21 19.155 -12.218 -8.997 1.00 0.00 C ATOM 0 H LEU A 21 18.206 -16.087 -6.420 1.00 0.00 H new ATOM 0 HA LEU A 21 17.289 -13.828 -7.738 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.331 -13.749 -6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.998 -15.122 -7.396 1.00 0.00 H new ATOM 0 HG LEU A 21 20.910 -12.773 -7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 21 21.254 -13.356 -10.286 1.00 0.00 H new ATOM 0 HD12 LEU A 21 21.461 -14.767 -9.221 1.00 0.00 H new ATOM 0 HD13 LEU A 21 19.966 -14.579 -10.168 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.687 -11.550 -9.675 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.338 -12.703 -9.531 1.00 0.00 H new ATOM 0 HD23 LEU A 21 18.752 -11.643 -8.163 1.00 0.00 H new ATOM 333 N SER A 22 18.457 -16.142 -9.780 1.00 0.00 N ATOM 334 CA SER A 22 18.490 -16.565 -11.175 1.00 0.00 C ATOM 335 C SER A 22 17.091 -16.546 -11.782 1.00 0.00 C ATOM 336 O SER A 22 16.928 -16.663 -12.996 1.00 0.00 O ATOM 337 CB SER A 22 19.089 -17.969 -11.290 1.00 0.00 C ATOM 338 OG SER A 22 18.371 -18.896 -10.494 1.00 0.00 O ATOM 0 H SER A 22 18.850 -16.818 -9.125 1.00 0.00 H new ATOM 0 HA SER A 22 19.116 -15.864 -11.727 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.073 -18.290 -12.331 1.00 0.00 H new ATOM 0 HB3 SER A 22 20.133 -17.949 -10.978 1.00 0.00 H new ATOM 0 HG SER A 22 18.772 -19.786 -10.586 1.00 0.00 H new ATOM 344 N GLU A 23 16.084 -16.397 -10.928 1.00 0.00 N ATOM 345 CA GLU A 23 14.698 -16.363 -11.380 1.00 0.00 C ATOM 346 C GLU A 23 14.144 -14.942 -11.330 1.00 0.00 C ATOM 347 O GLU A 23 13.085 -14.655 -11.891 1.00 0.00 O ATOM 348 CB GLU A 23 13.834 -17.288 -10.520 1.00 0.00 C ATOM 349 CG GLU A 23 12.746 -18.005 -11.301 1.00 0.00 C ATOM 350 CD GLU A 23 13.281 -19.166 -12.116 1.00 0.00 C ATOM 351 OE1 GLU A 23 14.120 -19.925 -11.586 1.00 0.00 O ATOM 352 OE2 GLU A 23 12.862 -19.316 -13.282 1.00 0.00 O ATOM 0 H GLU A 23 16.202 -16.298 -9.920 1.00 0.00 H new ATOM 0 HA GLU A 23 14.672 -16.709 -12.413 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.475 -18.029 -10.042 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.373 -16.704 -9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.988 -18.371 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.254 -17.295 -11.966 1.00 0.00 H new ATOM 359 N LEU A 24 14.867 -14.055 -10.655 1.00 0.00 N ATOM 360 CA LEU A 24 14.449 -12.663 -10.530 1.00 0.00 C ATOM 361 C LEU A 24 14.610 -11.925 -11.856 1.00 0.00 C ATOM 362 O LEU A 24 13.673 -11.293 -12.346 1.00 0.00 O ATOM 363 CB LEU A 24 15.262 -11.961 -9.441 1.00 0.00 C ATOM 364 CG LEU A 24 14.839 -10.530 -9.105 1.00 0.00 C ATOM 365 CD1 LEU A 24 15.200 -10.191 -7.667 1.00 0.00 C ATOM 366 CD2 LEU A 24 15.486 -9.543 -10.066 1.00 0.00 C ATOM 0 H LEU A 24 15.746 -14.275 -10.186 1.00 0.00 H new ATOM 0 HA LEU A 24 13.395 -12.650 -10.253 1.00 0.00 H new ATOM 0 HB2 LEU A 24 15.205 -12.558 -8.531 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.308 -11.947 -9.748 1.00 0.00 H new ATOM 0 HG LEU A 24 13.757 -10.456 -9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 24 14.892 -9.169 -7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.690 -10.878 -6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 24 16.278 -10.282 -7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.174 -8.530 -9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 24 16.571 -9.618 -9.989 1.00 0.00 H new ATOM 0 HD23 LEU A 24 15.177 -9.773 -11.086 1.00 0.00 H new ATOM 378 N THR A 25 15.804 -12.012 -12.434 1.00 0.00 N ATOM 379 CA THR A 25 16.088 -11.354 -13.703 1.00 0.00 C ATOM 380 C THR A 25 15.089 -11.773 -14.775 1.00 0.00 C ATOM 381 O THR A 25 14.850 -11.040 -15.735 1.00 0.00 O ATOM 382 CB THR A 25 17.513 -11.672 -14.194 1.00 0.00 C ATOM 383 OG1 THR A 25 17.804 -10.918 -15.376 1.00 0.00 O ATOM 384 CG2 THR A 25 17.667 -13.158 -14.483 1.00 0.00 C ATOM 0 H THR A 25 16.590 -12.532 -12.043 1.00 0.00 H new ATOM 0 HA THR A 25 16.002 -10.281 -13.529 1.00 0.00 H new ATOM 0 HB THR A 25 18.215 -11.397 -13.407 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.064 -10.303 -15.562 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.681 -13.358 -14.828 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.474 -13.727 -13.574 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.956 -13.454 -15.254 1.00 0.00 H new ATOM 392 N ASP A 26 14.507 -12.955 -14.606 1.00 0.00 N ATOM 393 CA ASP A 26 13.531 -13.471 -15.559 1.00 0.00 C ATOM 394 C ASP A 26 12.108 -13.210 -15.074 1.00 0.00 C ATOM 395 O ASP A 26 11.163 -13.210 -15.863 1.00 0.00 O ATOM 396 CB ASP A 26 13.742 -14.970 -15.777 1.00 0.00 C ATOM 397 CG ASP A 26 13.200 -15.443 -17.111 1.00 0.00 C ATOM 398 OD1 ASP A 26 12.968 -14.590 -17.994 1.00 0.00 O ATOM 399 OD2 ASP A 26 13.008 -16.666 -17.273 1.00 0.00 O ATOM 0 H ASP A 26 14.694 -13.574 -13.817 1.00 0.00 H new ATOM 0 HA ASP A 26 13.674 -12.951 -16.506 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.807 -15.196 -15.720 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.255 -15.523 -14.974 1.00 0.00 H new ATOM 404 N ALA A 27 11.963 -12.989 -13.771 1.00 0.00 N ATOM 405 CA ALA A 27 10.656 -12.726 -13.182 1.00 0.00 C ATOM 406 C ALA A 27 10.377 -11.229 -13.113 1.00 0.00 C ATOM 407 O ALA A 27 9.477 -10.788 -12.396 1.00 0.00 O ATOM 408 CB ALA A 27 10.568 -13.347 -11.795 1.00 0.00 C ATOM 0 H ALA A 27 12.735 -12.987 -13.104 1.00 0.00 H new ATOM 0 HA ALA A 27 9.898 -13.181 -13.820 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.587 -13.143 -11.367 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.715 -14.425 -11.869 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.339 -12.919 -11.155 1.00 0.00 H new ATOM 414 N LEU A 28 11.153 -10.452 -13.860 1.00 0.00 N ATOM 415 CA LEU A 28 10.989 -9.002 -13.882 1.00 0.00 C ATOM 416 C LEU A 28 10.141 -8.569 -15.074 1.00 0.00 C ATOM 417 O LEU A 28 9.126 -7.891 -14.913 1.00 0.00 O ATOM 418 CB LEU A 28 12.354 -8.316 -13.937 1.00 0.00 C ATOM 419 CG LEU A 28 13.017 -8.031 -12.588 1.00 0.00 C ATOM 420 CD1 LEU A 28 14.528 -8.164 -12.697 1.00 0.00 C ATOM 421 CD2 LEU A 28 12.636 -6.645 -12.089 1.00 0.00 C ATOM 0 H LEU A 28 11.902 -10.801 -14.458 1.00 0.00 H new ATOM 0 HA LEU A 28 10.476 -8.704 -12.967 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.028 -8.938 -14.526 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.243 -7.372 -14.471 1.00 0.00 H new ATOM 0 HG LEU A 28 12.660 -8.766 -11.867 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.982 -7.958 -11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.783 -9.177 -13.009 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.904 -7.453 -13.433 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.117 -6.459 -11.128 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.964 -5.896 -12.810 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.554 -6.585 -11.971 1.00 0.00 H new ATOM 433 N ARG A 29 10.563 -8.967 -16.270 1.00 0.00 N ATOM 434 CA ARG A 29 9.842 -8.620 -17.489 1.00 0.00 C ATOM 435 C ARG A 29 8.383 -9.061 -17.401 1.00 0.00 C ATOM 436 O ARG A 29 7.488 -8.388 -17.914 1.00 0.00 O ATOM 437 CB ARG A 29 10.510 -9.268 -18.703 1.00 0.00 C ATOM 438 CG ARG A 29 10.153 -8.601 -20.022 1.00 0.00 C ATOM 439 CD ARG A 29 11.305 -8.674 -21.012 1.00 0.00 C ATOM 440 NE ARG A 29 11.119 -9.743 -21.990 1.00 0.00 N ATOM 441 CZ ARG A 29 10.250 -9.679 -22.993 1.00 0.00 C ATOM 442 NH1 ARG A 29 9.492 -8.603 -23.149 1.00 0.00 N ATOM 443 NH2 ARG A 29 10.139 -10.692 -23.842 1.00 0.00 N ATOM 0 H ARG A 29 11.400 -9.530 -16.421 1.00 0.00 H new ATOM 0 HA ARG A 29 9.870 -7.536 -17.603 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.592 -9.238 -18.571 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.223 -10.319 -18.747 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.274 -9.083 -20.449 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.890 -7.558 -19.844 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.398 -7.720 -21.531 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.238 -8.835 -20.472 1.00 0.00 H new ATOM 0 HE ARG A 29 11.688 -10.585 -21.898 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.575 -7.822 -22.498 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.826 -8.556 -23.920 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.721 -11.521 -23.725 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.471 -10.642 -24.612 1.00 0.00 H new ATOM 457 N THR A 30 8.151 -10.195 -16.749 1.00 0.00 N ATOM 458 CA THR A 30 6.803 -10.727 -16.595 1.00 0.00 C ATOM 459 C THR A 30 5.934 -9.791 -15.763 1.00 0.00 C ATOM 460 O THR A 30 4.708 -9.909 -15.754 1.00 0.00 O ATOM 461 CB THR A 30 6.819 -12.118 -15.934 1.00 0.00 C ATOM 462 OG1 THR A 30 5.503 -12.683 -15.951 1.00 0.00 O ATOM 463 CG2 THR A 30 7.320 -12.030 -14.501 1.00 0.00 C ATOM 0 H THR A 30 8.880 -10.764 -16.318 1.00 0.00 H new ATOM 0 HA THR A 30 6.382 -10.815 -17.597 1.00 0.00 H new ATOM 0 HB THR A 30 7.496 -12.758 -16.500 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.841 -11.974 -15.811 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.322 -13.024 -14.055 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.333 -11.626 -14.494 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.665 -11.376 -13.926 1.00 0.00 H new ATOM 471 N LEU A 31 6.576 -8.861 -15.064 1.00 0.00 N ATOM 472 CA LEU A 31 5.862 -7.903 -14.227 1.00 0.00 C ATOM 473 C LEU A 31 5.820 -6.528 -14.887 1.00 0.00 C ATOM 474 O LEU A 31 5.525 -5.526 -14.239 1.00 0.00 O ATOM 475 CB LEU A 31 6.525 -7.801 -12.853 1.00 0.00 C ATOM 476 CG LEU A 31 6.861 -9.128 -12.170 1.00 0.00 C ATOM 477 CD1 LEU A 31 7.629 -8.885 -10.880 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.592 -9.922 -11.896 1.00 0.00 C ATOM 0 H LEU A 31 7.590 -8.750 -15.060 1.00 0.00 H new ATOM 0 HA LEU A 31 4.839 -8.258 -14.104 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.445 -7.226 -12.957 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.867 -7.233 -12.195 1.00 0.00 H new ATOM 0 HG LEU A 31 7.493 -9.710 -12.840 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.859 -9.840 -10.408 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.556 -8.357 -11.103 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.023 -8.283 -10.203 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.849 -10.863 -11.410 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.935 -9.345 -11.245 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.081 -10.127 -12.837 1.00 0.00 H new ATOM 490 N GLY A 32 6.116 -6.490 -16.183 1.00 0.00 N ATOM 491 CA GLY A 32 6.104 -5.234 -16.910 1.00 0.00 C ATOM 492 C GLY A 32 7.413 -4.480 -16.785 1.00 0.00 C ATOM 493 O GLY A 32 7.428 -3.306 -16.414 1.00 0.00 O ATOM 0 H GLY A 32 6.364 -7.306 -16.742 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.900 -5.429 -17.963 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.292 -4.610 -16.538 1.00 0.00 H new ATOM 497 N SER A 33 8.515 -5.156 -17.094 1.00 0.00 N ATOM 498 CA SER A 33 9.836 -4.544 -17.009 1.00 0.00 C ATOM 499 C SER A 33 10.511 -4.515 -18.377 1.00 0.00 C ATOM 500 O SER A 33 10.184 -5.308 -19.261 1.00 0.00 O ATOM 501 CB SER A 33 10.712 -5.306 -16.013 1.00 0.00 C ATOM 502 OG SER A 33 10.086 -5.391 -14.744 1.00 0.00 O ATOM 0 H SER A 33 8.519 -6.127 -17.405 1.00 0.00 H new ATOM 0 HA SER A 33 9.711 -3.518 -16.662 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.911 -6.309 -16.392 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.675 -4.806 -15.914 1.00 0.00 H new ATOM 0 HG SER A 33 9.501 -6.177 -14.720 1.00 0.00 H new ATOM 508 N THR A 34 11.454 -3.593 -18.546 1.00 0.00 N ATOM 509 CA THR A 34 12.174 -3.458 -19.805 1.00 0.00 C ATOM 510 C THR A 34 13.676 -3.622 -19.601 1.00 0.00 C ATOM 511 O THR A 34 14.459 -3.477 -20.539 1.00 0.00 O ATOM 512 CB THR A 34 11.903 -2.092 -20.464 1.00 0.00 C ATOM 513 OG1 THR A 34 10.854 -1.412 -19.767 1.00 0.00 O ATOM 514 CG2 THR A 34 11.521 -2.262 -21.926 1.00 0.00 C ATOM 0 H THR A 34 11.737 -2.929 -17.826 1.00 0.00 H new ATOM 0 HA THR A 34 11.811 -4.249 -20.462 1.00 0.00 H new ATOM 0 HB THR A 34 12.817 -1.500 -20.411 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.689 -0.544 -20.191 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.335 -1.284 -22.369 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.334 -2.753 -22.460 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.620 -2.871 -21.998 1.00 0.00 H new ATOM 522 N SER A 35 14.071 -3.926 -18.368 1.00 0.00 N ATOM 523 CA SER A 35 15.480 -4.106 -18.040 1.00 0.00 C ATOM 524 C SER A 35 15.711 -5.453 -17.361 1.00 0.00 C ATOM 525 O SER A 35 16.295 -5.524 -16.280 1.00 0.00 O ATOM 526 CB SER A 35 15.962 -2.975 -17.130 1.00 0.00 C ATOM 527 OG SER A 35 17.345 -2.726 -17.316 1.00 0.00 O ATOM 0 H SER A 35 13.435 -4.053 -17.581 1.00 0.00 H new ATOM 0 HA SER A 35 16.050 -4.083 -18.969 1.00 0.00 H new ATOM 0 HB2 SER A 35 15.394 -2.068 -17.340 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.773 -3.236 -16.089 1.00 0.00 H new ATOM 0 HG SER A 35 17.629 -1.998 -16.724 1.00 0.00 H new ATOM 533 N ALA A 36 15.248 -6.520 -18.004 1.00 0.00 N ATOM 534 CA ALA A 36 15.405 -7.865 -17.465 1.00 0.00 C ATOM 535 C ALA A 36 16.669 -8.528 -18.004 1.00 0.00 C ATOM 536 O ALA A 36 17.348 -9.264 -17.288 1.00 0.00 O ATOM 537 CB ALA A 36 14.183 -8.711 -17.791 1.00 0.00 C ATOM 0 H ALA A 36 14.761 -6.479 -18.899 1.00 0.00 H new ATOM 0 HA ALA A 36 15.500 -7.787 -16.382 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.314 -9.713 -17.382 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.296 -8.254 -17.352 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.062 -8.773 -18.872 1.00 0.00 H new ATOM 543 N ASP A 37 16.977 -8.262 -19.268 1.00 0.00 N ATOM 544 CA ASP A 37 18.160 -8.833 -19.902 1.00 0.00 C ATOM 545 C ASP A 37 19.433 -8.206 -19.343 1.00 0.00 C ATOM 546 O ASP A 37 20.479 -8.851 -19.283 1.00 0.00 O ATOM 547 CB ASP A 37 18.100 -8.631 -21.417 1.00 0.00 C ATOM 548 CG ASP A 37 16.905 -9.319 -22.047 1.00 0.00 C ATOM 549 OD1 ASP A 37 16.717 -10.528 -21.796 1.00 0.00 O ATOM 550 OD2 ASP A 37 16.158 -8.650 -22.791 1.00 0.00 O ATOM 0 H ASP A 37 16.425 -7.655 -19.874 1.00 0.00 H new ATOM 0 HA ASP A 37 18.178 -9.901 -19.686 1.00 0.00 H new ATOM 0 HB2 ASP A 37 18.059 -7.564 -21.637 1.00 0.00 H new ATOM 0 HB3 ASP A 37 19.015 -9.014 -21.868 1.00 0.00 H new ATOM 555 N GLU A 38 19.336 -6.944 -18.936 1.00 0.00 N ATOM 556 CA GLU A 38 20.481 -6.230 -18.383 1.00 0.00 C ATOM 557 C GLU A 38 21.074 -6.987 -17.199 1.00 0.00 C ATOM 558 O GLU A 38 22.266 -7.296 -17.180 1.00 0.00 O ATOM 559 CB GLU A 38 20.070 -4.822 -17.948 1.00 0.00 C ATOM 560 CG GLU A 38 19.817 -3.875 -19.109 1.00 0.00 C ATOM 561 CD GLU A 38 21.072 -3.147 -19.552 1.00 0.00 C ATOM 562 OE1 GLU A 38 22.124 -3.805 -19.686 1.00 0.00 O ATOM 563 OE2 GLU A 38 21.000 -1.918 -19.765 1.00 0.00 O ATOM 0 H GLU A 38 18.477 -6.396 -18.979 1.00 0.00 H new ATOM 0 HA GLU A 38 21.241 -6.155 -19.161 1.00 0.00 H new ATOM 0 HB2 GLU A 38 19.167 -4.888 -17.341 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.852 -4.404 -17.313 1.00 0.00 H new ATOM 0 HG2 GLU A 38 19.412 -4.437 -19.950 1.00 0.00 H new ATOM 0 HG3 GLU A 38 19.061 -3.145 -18.820 1.00 0.00 H new ATOM 570 N VAL A 39 20.235 -7.283 -16.212 1.00 0.00 N ATOM 571 CA VAL A 39 20.675 -8.004 -15.024 1.00 0.00 C ATOM 572 C VAL A 39 20.863 -9.488 -15.320 1.00 0.00 C ATOM 573 O VAL A 39 21.606 -10.180 -14.624 1.00 0.00 O ATOM 574 CB VAL A 39 19.671 -7.846 -13.867 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.280 -8.279 -14.304 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.129 -8.639 -12.652 1.00 0.00 C ATOM 0 H VAL A 39 19.246 -7.034 -16.212 1.00 0.00 H new ATOM 0 HA VAL A 39 21.631 -7.571 -14.727 1.00 0.00 H new ATOM 0 HB VAL A 39 19.626 -6.793 -13.589 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.584 -8.160 -13.473 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.954 -7.663 -15.142 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.304 -9.325 -14.611 1.00 0.00 H new ATOM 0 HG21 VAL A 39 19.408 -8.516 -11.844 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.204 -9.694 -12.914 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.104 -8.276 -12.327 1.00 0.00 H new ATOM 586 N GLN A 40 20.185 -9.969 -16.357 1.00 0.00 N ATOM 587 CA GLN A 40 20.277 -11.371 -16.745 1.00 0.00 C ATOM 588 C GLN A 40 21.731 -11.784 -16.952 1.00 0.00 C ATOM 589 O GLN A 40 22.072 -12.963 -16.849 1.00 0.00 O ATOM 590 CB GLN A 40 19.477 -11.623 -18.024 1.00 0.00 C ATOM 591 CG GLN A 40 18.798 -12.983 -18.059 1.00 0.00 C ATOM 592 CD GLN A 40 19.253 -13.831 -19.231 1.00 0.00 C ATOM 593 OE1 GLN A 40 19.410 -13.335 -20.347 1.00 0.00 O ATOM 594 NE2 GLN A 40 19.467 -15.117 -18.982 1.00 0.00 N ATOM 0 H GLN A 40 19.566 -9.409 -16.943 1.00 0.00 H new ATOM 0 HA GLN A 40 19.858 -11.973 -15.939 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.720 -10.846 -18.128 1.00 0.00 H new ATOM 0 HB3 GLN A 40 20.143 -11.537 -18.882 1.00 0.00 H new ATOM 0 HG2 GLN A 40 19.006 -13.513 -17.129 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.718 -12.845 -18.113 1.00 0.00 H new ATOM 0 HE21 GLN A 40 19.324 -15.485 -18.041 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.774 -15.737 -19.731 1.00 0.00 H new ATOM 603 N ARG A 41 22.583 -10.807 -17.244 1.00 0.00 N ATOM 604 CA ARG A 41 23.999 -11.069 -17.467 1.00 0.00 C ATOM 605 C ARG A 41 24.860 -10.268 -16.495 1.00 0.00 C ATOM 606 O ARG A 41 26.065 -10.120 -16.695 1.00 0.00 O ATOM 607 CB ARG A 41 24.383 -10.725 -18.907 1.00 0.00 C ATOM 608 CG ARG A 41 24.210 -9.255 -19.249 1.00 0.00 C ATOM 609 CD ARG A 41 25.344 -8.750 -20.128 1.00 0.00 C ATOM 610 NE ARG A 41 24.991 -8.774 -21.544 1.00 0.00 N ATOM 611 CZ ARG A 41 25.751 -8.251 -22.500 1.00 0.00 C ATOM 612 NH1 ARG A 41 26.900 -7.666 -22.193 1.00 0.00 N ATOM 613 NH2 ARG A 41 25.361 -8.313 -23.767 1.00 0.00 N ATOM 0 H ARG A 41 22.317 -9.826 -17.332 1.00 0.00 H new ATOM 0 HA ARG A 41 24.177 -12.130 -17.294 1.00 0.00 H new ATOM 0 HB2 ARG A 41 25.422 -11.008 -19.074 1.00 0.00 H new ATOM 0 HB3 ARG A 41 23.776 -11.322 -19.588 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.259 -9.109 -19.761 1.00 0.00 H new ATOM 0 HG3 ARG A 41 24.171 -8.669 -18.331 1.00 0.00 H new ATOM 0 HD2 ARG A 41 25.603 -7.732 -19.836 1.00 0.00 H new ATOM 0 HD3 ARG A 41 26.230 -9.364 -19.965 1.00 0.00 H new ATOM 0 HE ARG A 41 24.113 -9.217 -21.814 1.00 0.00 H new ATOM 0 HH11 ARG A 41 27.203 -7.616 -21.220 1.00 0.00 H new ATOM 0 HH12 ARG A 41 27.481 -7.265 -22.929 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.477 -8.762 -24.007 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.945 -7.911 -24.501 1.00 0.00 H new ATOM 627 N MET A 42 24.233 -9.753 -15.442 1.00 0.00 N ATOM 628 CA MET A 42 24.942 -8.967 -14.439 1.00 0.00 C ATOM 629 C MET A 42 24.366 -9.215 -13.048 1.00 0.00 C ATOM 630 O MET A 42 24.562 -8.415 -12.134 1.00 0.00 O ATOM 631 CB MET A 42 24.864 -7.478 -14.778 1.00 0.00 C ATOM 632 CG MET A 42 25.371 -7.145 -16.172 1.00 0.00 C ATOM 633 SD MET A 42 25.931 -5.437 -16.318 1.00 0.00 S ATOM 634 CE MET A 42 26.943 -5.538 -17.793 1.00 0.00 C ATOM 0 H MET A 42 23.235 -9.866 -15.261 1.00 0.00 H new ATOM 0 HA MET A 42 25.987 -9.278 -14.441 1.00 0.00 H new ATOM 0 HB2 MET A 42 23.829 -7.147 -14.688 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.444 -6.916 -14.046 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.192 -7.815 -16.425 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.577 -7.326 -16.896 1.00 0.00 H new ATOM 0 HE1 MET A 42 27.966 -5.248 -17.553 1.00 0.00 H new ATOM 0 HE2 MET A 42 26.935 -6.561 -18.170 1.00 0.00 H new ATOM 0 HE3 MET A 42 26.545 -4.867 -18.554 1.00 0.00 H new ATOM 644 N MET A 43 23.655 -10.327 -12.896 1.00 0.00 N ATOM 645 CA MET A 43 23.052 -10.679 -11.616 1.00 0.00 C ATOM 646 C MET A 43 24.101 -11.224 -10.652 1.00 0.00 C ATOM 647 O MET A 43 23.952 -11.120 -9.435 1.00 0.00 O ATOM 648 CB MET A 43 21.942 -11.713 -11.818 1.00 0.00 C ATOM 649 CG MET A 43 22.450 -13.067 -12.285 1.00 0.00 C ATOM 650 SD MET A 43 21.195 -14.014 -13.167 1.00 0.00 S ATOM 651 CE MET A 43 22.221 -15.058 -14.199 1.00 0.00 C ATOM 0 H MET A 43 23.482 -11.000 -13.643 1.00 0.00 H new ATOM 0 HA MET A 43 22.623 -9.775 -11.184 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.401 -11.841 -10.880 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.229 -11.330 -12.548 1.00 0.00 H new ATOM 0 HG2 MET A 43 23.313 -12.922 -12.934 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.792 -13.639 -11.423 1.00 0.00 H new ATOM 0 HE1 MET A 43 21.587 -15.704 -14.806 1.00 0.00 H new ATOM 0 HE2 MET A 43 22.835 -14.435 -14.850 1.00 0.00 H new ATOM 0 HE3 MET A 43 22.866 -15.671 -13.569 1.00 0.00 H new ATOM 661 N ALA A 44 25.161 -11.804 -11.205 1.00 0.00 N ATOM 662 CA ALA A 44 26.235 -12.364 -10.394 1.00 0.00 C ATOM 663 C ALA A 44 27.398 -11.385 -10.272 1.00 0.00 C ATOM 664 O ALA A 44 28.443 -11.716 -9.714 1.00 0.00 O ATOM 665 CB ALA A 44 26.713 -13.681 -10.987 1.00 0.00 C ATOM 0 H ALA A 44 25.299 -11.898 -12.211 1.00 0.00 H new ATOM 0 HA ALA A 44 25.843 -12.549 -9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 44 27.515 -14.088 -10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 44 25.884 -14.388 -11.017 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.083 -13.512 -11.998 1.00 0.00 H new ATOM 671 N GLU A 45 27.208 -10.179 -10.798 1.00 0.00 N ATOM 672 CA GLU A 45 28.242 -9.152 -10.748 1.00 0.00 C ATOM 673 C GLU A 45 27.755 -7.925 -9.984 1.00 0.00 C ATOM 674 O GLU A 45 28.537 -7.029 -9.665 1.00 0.00 O ATOM 675 CB GLU A 45 28.663 -8.752 -12.164 1.00 0.00 C ATOM 676 CG GLU A 45 27.737 -7.734 -12.809 1.00 0.00 C ATOM 677 CD GLU A 45 28.093 -7.456 -14.256 1.00 0.00 C ATOM 678 OE1 GLU A 45 28.092 -8.412 -15.060 1.00 0.00 O ATOM 679 OE2 GLU A 45 28.372 -6.285 -14.585 1.00 0.00 O ATOM 0 H GLU A 45 26.348 -9.889 -11.263 1.00 0.00 H new ATOM 0 HA GLU A 45 29.103 -9.565 -10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.673 -8.343 -12.132 1.00 0.00 H new ATOM 0 HB3 GLU A 45 28.700 -9.644 -12.789 1.00 0.00 H new ATOM 0 HG2 GLU A 45 26.710 -8.096 -12.755 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.777 -6.803 -12.244 1.00 0.00 H new ATOM 686 N ILE A 46 26.458 -7.891 -9.695 1.00 0.00 N ATOM 687 CA ILE A 46 25.867 -6.775 -8.969 1.00 0.00 C ATOM 688 C ILE A 46 26.132 -6.891 -7.471 1.00 0.00 C ATOM 689 O ILE A 46 26.166 -5.888 -6.757 1.00 0.00 O ATOM 690 CB ILE A 46 24.347 -6.692 -9.204 1.00 0.00 C ATOM 691 CG1 ILE A 46 23.717 -8.082 -9.103 1.00 0.00 C ATOM 692 CG2 ILE A 46 24.055 -6.069 -10.561 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.392 -8.093 -8.372 1.00 0.00 C ATOM 0 H ILE A 46 25.797 -8.624 -9.953 1.00 0.00 H new ATOM 0 HA ILE A 46 26.336 -5.868 -9.350 1.00 0.00 H new ATOM 0 HB ILE A 46 23.908 -6.058 -8.433 1.00 0.00 H new ATOM 0 HG12 ILE A 46 23.572 -8.480 -10.107 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.410 -8.750 -8.592 1.00 0.00 H new ATOM 0 HG21 ILE A 46 22.977 -6.017 -10.713 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.476 -5.064 -10.598 1.00 0.00 H new ATOM 0 HG23 ILE A 46 24.503 -6.679 -11.345 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.003 -9.111 -8.338 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.534 -7.725 -7.356 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.683 -7.451 -8.895 1.00 0.00 H new ATOM 705 N ASP A 47 26.321 -8.119 -7.003 1.00 0.00 N ATOM 706 CA ASP A 47 26.587 -8.367 -5.591 1.00 0.00 C ATOM 707 C ASP A 47 26.740 -9.860 -5.320 1.00 0.00 C ATOM 708 O ASP A 47 27.663 -10.286 -4.625 1.00 0.00 O ATOM 709 CB ASP A 47 25.461 -7.793 -4.730 1.00 0.00 C ATOM 710 CG ASP A 47 25.890 -6.557 -3.964 1.00 0.00 C ATOM 711 OD1 ASP A 47 26.726 -6.689 -3.046 1.00 0.00 O ATOM 712 OD2 ASP A 47 25.389 -5.458 -4.282 1.00 0.00 O ATOM 0 H ASP A 47 26.295 -8.959 -7.581 1.00 0.00 H new ATOM 0 HA ASP A 47 27.522 -7.872 -5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.611 -7.546 -5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 47 25.122 -8.553 -4.026 1.00 0.00 H new ATOM 717 N THR A 48 25.829 -10.654 -5.875 1.00 0.00 N ATOM 718 CA THR A 48 25.861 -12.099 -5.692 1.00 0.00 C ATOM 719 C THR A 48 27.243 -12.662 -6.003 1.00 0.00 C ATOM 720 O THR A 48 27.732 -12.547 -7.127 1.00 0.00 O ATOM 721 CB THR A 48 24.820 -12.802 -6.584 1.00 0.00 C ATOM 722 OG1 THR A 48 23.500 -12.377 -6.225 1.00 0.00 O ATOM 723 CG2 THR A 48 24.925 -14.314 -6.450 1.00 0.00 C ATOM 0 H THR A 48 25.060 -10.320 -6.455 1.00 0.00 H new ATOM 0 HA THR A 48 25.620 -12.290 -4.646 1.00 0.00 H new ATOM 0 HB THR A 48 25.020 -12.530 -7.620 1.00 0.00 H new ATOM 0 HG1 THR A 48 22.844 -12.827 -6.798 1.00 0.00 H new ATOM 0 HG21 THR A 48 24.180 -14.788 -7.089 1.00 0.00 H new ATOM 0 HG22 THR A 48 25.921 -14.638 -6.752 1.00 0.00 H new ATOM 0 HG23 THR A 48 24.749 -14.600 -5.413 1.00 0.00 H new ATOM 731 N ASP A 49 27.867 -13.272 -5.001 1.00 0.00 N ATOM 732 CA ASP A 49 29.194 -13.855 -5.169 1.00 0.00 C ATOM 733 C ASP A 49 29.228 -14.789 -6.374 1.00 0.00 C ATOM 734 O ASP A 49 29.773 -14.447 -7.422 1.00 0.00 O ATOM 735 CB ASP A 49 29.603 -14.615 -3.906 1.00 0.00 C ATOM 736 CG ASP A 49 29.748 -13.704 -2.703 1.00 0.00 C ATOM 737 OD1 ASP A 49 29.952 -12.488 -2.901 1.00 0.00 O ATOM 738 OD2 ASP A 49 29.656 -14.207 -1.564 1.00 0.00 O ATOM 0 H ASP A 49 27.476 -13.376 -4.065 1.00 0.00 H new ATOM 0 HA ASP A 49 29.902 -13.044 -5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 49 28.859 -15.382 -3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 49 30.547 -15.129 -4.085 1.00 0.00 H new ATOM 743 N GLY A 50 28.642 -15.972 -6.217 1.00 0.00 N ATOM 744 CA GLY A 50 28.618 -16.938 -7.299 1.00 0.00 C ATOM 745 C GLY A 50 27.753 -18.142 -6.983 1.00 0.00 C ATOM 746 O GLY A 50 28.132 -19.279 -7.266 1.00 0.00 O ATOM 0 H GLY A 50 28.183 -16.278 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 50 28.248 -16.456 -8.204 1.00 0.00 H new ATOM 0 HA3 GLY A 50 29.635 -17.270 -7.508 1.00 0.00 H new ATOM 750 N ASP A 51 26.589 -17.894 -6.393 1.00 0.00 N ATOM 751 CA ASP A 51 25.668 -18.967 -6.037 1.00 0.00 C ATOM 752 C ASP A 51 24.390 -18.883 -6.866 1.00 0.00 C ATOM 753 O ASP A 51 23.834 -19.903 -7.272 1.00 0.00 O ATOM 754 CB ASP A 51 25.328 -18.903 -4.547 1.00 0.00 C ATOM 755 CG ASP A 51 26.531 -18.549 -3.694 1.00 0.00 C ATOM 756 OD1 ASP A 51 27.304 -19.467 -3.350 1.00 0.00 O ATOM 757 OD2 ASP A 51 26.698 -17.355 -3.370 1.00 0.00 O ATOM 0 H ASP A 51 26.261 -16.959 -6.151 1.00 0.00 H new ATOM 0 HA ASP A 51 26.157 -19.918 -6.250 1.00 0.00 H new ATOM 0 HB2 ASP A 51 24.543 -18.164 -4.388 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.929 -19.865 -4.226 1.00 0.00 H new ATOM 762 N GLY A 52 23.929 -17.661 -7.114 1.00 0.00 N ATOM 763 CA GLY A 52 22.720 -17.467 -7.892 1.00 0.00 C ATOM 764 C GLY A 52 21.518 -17.149 -7.026 1.00 0.00 C ATOM 765 O GLY A 52 20.376 -17.366 -7.432 1.00 0.00 O ATOM 0 H GLY A 52 24.372 -16.801 -6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.876 -16.656 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.517 -18.367 -8.473 1.00 0.00 H new ATOM 769 N PHE A 53 21.773 -16.634 -5.828 1.00 0.00 N ATOM 770 CA PHE A 53 20.702 -16.288 -4.900 1.00 0.00 C ATOM 771 C PHE A 53 21.065 -15.047 -4.089 1.00 0.00 C ATOM 772 O PHE A 53 22.188 -14.547 -4.169 1.00 0.00 O ATOM 773 CB PHE A 53 20.416 -17.460 -3.959 1.00 0.00 C ATOM 774 CG PHE A 53 20.158 -18.755 -4.675 1.00 0.00 C ATOM 775 CD1 PHE A 53 21.212 -19.527 -5.138 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.863 -19.200 -4.887 1.00 0.00 C ATOM 777 CE1 PHE A 53 20.979 -20.720 -5.797 1.00 0.00 C ATOM 778 CE2 PHE A 53 18.624 -20.391 -5.545 1.00 0.00 C ATOM 779 CZ PHE A 53 19.683 -21.151 -6.002 1.00 0.00 C ATOM 0 H PHE A 53 22.712 -16.447 -5.477 1.00 0.00 H new ATOM 0 HA PHE A 53 19.806 -16.071 -5.482 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.263 -17.589 -3.285 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.551 -17.217 -3.341 1.00 0.00 H new ATOM 0 HD1 PHE A 53 22.227 -19.193 -4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 53 18.031 -18.609 -4.534 1.00 0.00 H new ATOM 0 HE1 PHE A 53 21.809 -21.314 -6.151 1.00 0.00 H new ATOM 0 HE2 PHE A 53 17.610 -20.728 -5.702 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.498 -22.081 -6.519 1.00 0.00 H new ATOM 789 N ILE A 54 20.107 -14.556 -3.310 1.00 0.00 N ATOM 790 CA ILE A 54 20.325 -13.375 -2.485 1.00 0.00 C ATOM 791 C ILE A 54 19.421 -13.387 -1.257 1.00 0.00 C ATOM 792 O ILE A 54 18.450 -14.142 -1.197 1.00 0.00 O ATOM 793 CB ILE A 54 20.076 -12.079 -3.279 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.774 -12.186 -4.076 1.00 0.00 C ATOM 795 CG2 ILE A 54 21.248 -11.792 -4.206 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.506 -10.987 -4.959 1.00 0.00 C ATOM 0 H ILE A 54 19.173 -14.958 -3.233 1.00 0.00 H new ATOM 0 HA ILE A 54 21.367 -13.402 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 54 19.983 -11.252 -2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.809 -13.082 -4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.942 -12.310 -3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 54 21.057 -10.873 -4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.158 -11.678 -3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.370 -12.619 -4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.567 -11.132 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.439 -10.090 -4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.319 -10.875 -5.676 1.00 0.00 H new ATOM 808 N ASP A 55 19.745 -12.546 -0.282 1.00 0.00 N ATOM 809 CA ASP A 55 18.960 -12.457 0.944 1.00 0.00 C ATOM 810 C ASP A 55 18.046 -11.236 0.917 1.00 0.00 C ATOM 811 O ASP A 55 16.822 -11.364 0.876 1.00 0.00 O ATOM 812 CB ASP A 55 19.882 -12.393 2.162 1.00 0.00 C ATOM 813 CG ASP A 55 19.156 -11.945 3.415 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.059 -12.477 3.688 1.00 0.00 O ATOM 815 OD2 ASP A 55 19.684 -11.063 4.124 1.00 0.00 O ATOM 0 H ASP A 55 20.546 -11.916 -0.316 1.00 0.00 H new ATOM 0 HA ASP A 55 18.340 -13.351 1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.323 -13.375 2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.703 -11.707 1.957 1.00 0.00 H new ATOM 820 N PHE A 56 18.649 -10.052 0.941 1.00 0.00 N ATOM 821 CA PHE A 56 17.889 -8.807 0.922 1.00 0.00 C ATOM 822 C PHE A 56 18.780 -7.632 0.527 1.00 0.00 C ATOM 823 O PHE A 56 18.433 -6.844 -0.351 1.00 0.00 O ATOM 824 CB PHE A 56 17.260 -8.547 2.292 1.00 0.00 C ATOM 825 CG PHE A 56 16.043 -7.669 2.236 1.00 0.00 C ATOM 826 CD1 PHE A 56 16.117 -6.392 1.705 1.00 0.00 C ATOM 827 CD2 PHE A 56 14.823 -8.122 2.714 1.00 0.00 C ATOM 828 CE1 PHE A 56 14.998 -5.582 1.653 1.00 0.00 C ATOM 829 CE2 PHE A 56 13.701 -7.317 2.664 1.00 0.00 C ATOM 830 CZ PHE A 56 13.788 -6.046 2.132 1.00 0.00 C ATOM 0 H PHE A 56 19.661 -9.928 0.974 1.00 0.00 H new ATOM 0 HA PHE A 56 17.097 -8.905 0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.990 -9.501 2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.003 -8.084 2.942 1.00 0.00 H new ATOM 0 HD1 PHE A 56 17.060 -6.025 1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.749 -9.116 3.130 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.070 -4.587 1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.757 -7.682 3.041 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.912 -5.416 2.090 1.00 0.00 H new ATOM 840 N ASN A 57 19.930 -7.523 1.185 1.00 0.00 N ATOM 841 CA ASN A 57 20.871 -6.445 0.904 1.00 0.00 C ATOM 842 C ASN A 57 21.272 -6.442 -0.568 1.00 0.00 C ATOM 843 O ASN A 57 21.147 -5.427 -1.253 1.00 0.00 O ATOM 844 CB ASN A 57 22.115 -6.584 1.783 1.00 0.00 C ATOM 845 CG ASN A 57 22.116 -5.608 2.944 1.00 0.00 C ATOM 846 OD1 ASN A 57 22.403 -4.423 2.773 1.00 0.00 O ATOM 847 ND2 ASN A 57 21.794 -6.104 4.133 1.00 0.00 N ATOM 0 H ASN A 57 20.232 -8.167 1.916 1.00 0.00 H new ATOM 0 HA ASN A 57 20.379 -5.499 1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.172 -7.602 2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.005 -6.422 1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.777 -5.496 4.952 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.563 -7.093 4.227 1.00 0.00 H new ATOM 854 N GLU A 58 21.755 -7.584 -1.046 1.00 0.00 N ATOM 855 CA GLU A 58 22.174 -7.713 -2.437 1.00 0.00 C ATOM 856 C GLU A 58 20.997 -7.491 -3.383 1.00 0.00 C ATOM 857 O GLU A 58 21.182 -7.163 -4.555 1.00 0.00 O ATOM 858 CB GLU A 58 22.787 -9.093 -2.683 1.00 0.00 C ATOM 859 CG GLU A 58 23.814 -9.498 -1.638 1.00 0.00 C ATOM 860 CD GLU A 58 24.966 -8.516 -1.543 1.00 0.00 C ATOM 861 OE1 GLU A 58 24.723 -7.353 -1.160 1.00 0.00 O ATOM 862 OE2 GLU A 58 26.110 -8.912 -1.851 1.00 0.00 O ATOM 0 H GLU A 58 21.866 -8.433 -0.491 1.00 0.00 H new ATOM 0 HA GLU A 58 22.926 -6.949 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 58 21.990 -9.837 -2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 58 23.258 -9.102 -3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 58 23.327 -9.576 -0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 58 24.203 -10.487 -1.880 1.00 0.00 H new ATOM 869 N PHE A 59 19.787 -7.673 -2.865 1.00 0.00 N ATOM 870 CA PHE A 59 18.580 -7.494 -3.663 1.00 0.00 C ATOM 871 C PHE A 59 18.232 -6.015 -3.800 1.00 0.00 C ATOM 872 O PHE A 59 17.760 -5.572 -4.848 1.00 0.00 O ATOM 873 CB PHE A 59 17.408 -8.248 -3.029 1.00 0.00 C ATOM 874 CG PHE A 59 16.063 -7.730 -3.452 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.427 -8.245 -4.570 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.435 -6.728 -2.730 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.190 -7.769 -4.961 1.00 0.00 C ATOM 878 CE2 PHE A 59 14.197 -6.248 -3.116 1.00 0.00 C ATOM 879 CZ PHE A 59 13.574 -6.771 -4.232 1.00 0.00 C ATOM 0 H PHE A 59 19.616 -7.944 -1.897 1.00 0.00 H new ATOM 0 HA PHE A 59 18.769 -7.898 -4.657 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.481 -9.303 -3.291 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.489 -8.183 -1.944 1.00 0.00 H new ATOM 0 HD1 PHE A 59 15.903 -9.027 -5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.918 -6.317 -1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.706 -8.177 -5.836 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.718 -5.466 -2.546 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.606 -6.400 -4.534 1.00 0.00 H new ATOM 889 N ILE A 60 18.469 -5.256 -2.735 1.00 0.00 N ATOM 890 CA ILE A 60 18.182 -3.827 -2.737 1.00 0.00 C ATOM 891 C ILE A 60 19.280 -3.047 -3.451 1.00 0.00 C ATOM 892 O ILE A 60 19.072 -1.910 -3.875 1.00 0.00 O ATOM 893 CB ILE A 60 18.028 -3.282 -1.304 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.862 -3.973 -0.594 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.822 -1.775 -1.330 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.522 -3.721 -1.249 1.00 0.00 C ATOM 0 H ILE A 60 18.859 -5.607 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 60 17.241 -3.694 -3.270 1.00 0.00 H new ATOM 0 HB ILE A 60 18.942 -3.494 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 60 17.048 -5.047 -0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 60 16.822 -3.630 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.715 -1.405 -0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.682 -1.298 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 60 16.921 -1.541 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.742 -4.241 -0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.314 -2.651 -1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.543 -4.089 -2.275 1.00 0.00 H new ATOM 908 N SER A 61 20.449 -3.665 -3.581 1.00 0.00 N ATOM 909 CA SER A 61 21.582 -3.028 -4.242 1.00 0.00 C ATOM 910 C SER A 61 21.212 -2.597 -5.658 1.00 0.00 C ATOM 911 O SER A 61 21.506 -1.476 -6.075 1.00 0.00 O ATOM 912 CB SER A 61 22.778 -3.981 -4.283 1.00 0.00 C ATOM 913 OG SER A 61 23.942 -3.361 -3.766 1.00 0.00 O ATOM 0 H SER A 61 20.637 -4.607 -3.237 1.00 0.00 H new ATOM 0 HA SER A 61 21.853 -2.141 -3.670 1.00 0.00 H new ATOM 0 HB2 SER A 61 22.553 -4.877 -3.705 1.00 0.00 H new ATOM 0 HB3 SER A 61 22.958 -4.300 -5.310 1.00 0.00 H new ATOM 0 HG SER A 61 24.678 -4.008 -3.751 1.00 0.00 H new ATOM 919 N PHE A 62 20.564 -3.495 -6.393 1.00 0.00 N ATOM 920 CA PHE A 62 20.154 -3.209 -7.763 1.00 0.00 C ATOM 921 C PHE A 62 18.713 -2.710 -7.807 1.00 0.00 C ATOM 922 O PHE A 62 18.293 -2.076 -8.776 1.00 0.00 O ATOM 923 CB PHE A 62 20.299 -4.460 -8.633 1.00 0.00 C ATOM 924 CG PHE A 62 19.074 -4.771 -9.444 1.00 0.00 C ATOM 925 CD1 PHE A 62 18.026 -5.489 -8.892 1.00 0.00 C ATOM 926 CD2 PHE A 62 18.971 -4.346 -10.759 1.00 0.00 C ATOM 927 CE1 PHE A 62 16.896 -5.777 -9.635 1.00 0.00 C ATOM 928 CE2 PHE A 62 17.844 -4.631 -11.507 1.00 0.00 C ATOM 929 CZ PHE A 62 16.806 -5.348 -10.945 1.00 0.00 C ATOM 0 H PHE A 62 20.312 -4.427 -6.063 1.00 0.00 H new ATOM 0 HA PHE A 62 20.803 -2.425 -8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 62 21.147 -4.329 -9.306 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.528 -5.313 -7.994 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.092 -5.828 -7.869 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.780 -3.786 -11.204 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.085 -6.336 -9.192 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.775 -4.293 -12.530 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.926 -5.573 -11.529 1.00 0.00 H new ATOM 939 N CYS A 63 17.961 -3.001 -6.751 1.00 0.00 N ATOM 940 CA CYS A 63 16.566 -2.583 -6.668 1.00 0.00 C ATOM 941 C CYS A 63 16.450 -1.192 -6.053 1.00 0.00 C ATOM 942 O CYS A 63 15.679 -0.977 -5.119 1.00 0.00 O ATOM 943 CB CYS A 63 15.760 -3.587 -5.843 1.00 0.00 C ATOM 944 SG CYS A 63 15.388 -5.128 -6.713 1.00 0.00 S ATOM 0 H CYS A 63 18.294 -3.524 -5.941 1.00 0.00 H new ATOM 0 HA CYS A 63 16.162 -2.547 -7.680 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.313 -3.820 -4.933 1.00 0.00 H new ATOM 0 HB3 CYS A 63 14.824 -3.120 -5.536 1.00 0.00 H new ATOM 0 HG CYS A 63 16.268 -5.321 -7.650 1.00 0.00 H new ATOM 950 N ASN A 64 17.224 -0.250 -6.584 1.00 0.00 N ATOM 951 CA ASN A 64 17.210 1.120 -6.086 1.00 0.00 C ATOM 952 C ASN A 64 16.056 1.909 -6.696 1.00 0.00 C ATOM 953 O ASN A 64 15.740 3.012 -6.250 1.00 0.00 O ATOM 954 CB ASN A 64 18.538 1.813 -6.400 1.00 0.00 C ATOM 955 CG ASN A 64 19.723 1.101 -5.776 1.00 0.00 C ATOM 956 OD1 ASN A 64 19.606 0.492 -4.712 1.00 0.00 O ATOM 957 ND2 ASN A 64 20.872 1.174 -6.437 1.00 0.00 N ATOM 0 H ASN A 64 17.868 -0.411 -7.358 1.00 0.00 H new ATOM 0 HA ASN A 64 17.072 1.085 -5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.674 1.860 -7.481 1.00 0.00 H new ATOM 0 HB3 ASN A 64 18.503 2.841 -6.038 1.00 0.00 H new ATOM 0 HD21 ASN A 64 21.704 0.714 -6.066 1.00 0.00 H new ATOM 0 HD22 ASN A 64 20.923 1.690 -7.316 1.00 0.00 H new ATOM 964 N ALA A 65 15.430 1.336 -7.719 1.00 0.00 N ATOM 965 CA ALA A 65 14.309 1.984 -8.388 1.00 0.00 C ATOM 966 C ALA A 65 14.651 3.422 -8.765 1.00 0.00 C ATOM 967 O ALA A 65 14.026 4.365 -8.281 1.00 0.00 O ATOM 968 CB ALA A 65 13.072 1.948 -7.503 1.00 0.00 C ATOM 0 H ALA A 65 15.680 0.424 -8.102 1.00 0.00 H new ATOM 0 HA ALA A 65 14.100 1.435 -9.306 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.243 2.436 -8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.808 0.912 -7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.278 2.470 -6.569 1.00 0.00 H new ATOM 974 N ASN A 66 15.647 3.581 -9.630 1.00 0.00 N ATOM 975 CA ASN A 66 16.073 4.905 -10.070 1.00 0.00 C ATOM 976 C ASN A 66 15.204 5.401 -11.221 1.00 0.00 C ATOM 977 O ASN A 66 14.452 6.368 -11.092 1.00 0.00 O ATOM 978 CB ASN A 66 17.541 4.874 -10.501 1.00 0.00 C ATOM 979 CG ASN A 66 18.456 5.529 -9.484 1.00 0.00 C ATOM 980 OD1 ASN A 66 19.196 6.459 -9.806 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.408 5.046 -8.248 1.00 0.00 N ATOM 0 H ASN A 66 16.174 2.810 -10.040 1.00 0.00 H new ATOM 0 HA ASN A 66 15.962 5.593 -9.232 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.851 3.840 -10.652 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.646 5.381 -11.460 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.000 5.447 -7.520 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.779 4.274 -8.026 1.00 0.00 H new ATOM 988 N PRO A 67 15.306 4.724 -12.374 1.00 0.00 N ATOM 989 CA PRO A 67 14.536 5.077 -13.570 1.00 0.00 C ATOM 990 C PRO A 67 13.049 4.777 -13.412 1.00 0.00 C ATOM 991 O PRO A 67 12.200 5.522 -13.899 1.00 0.00 O ATOM 992 CB PRO A 67 15.147 4.193 -14.660 1.00 0.00 C ATOM 993 CG PRO A 67 15.718 3.028 -13.926 1.00 0.00 C ATOM 994 CD PRO A 67 16.181 3.561 -12.599 1.00 0.00 C ATOM 0 HA PRO A 67 14.589 6.144 -13.788 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.394 3.876 -15.381 1.00 0.00 H new ATOM 0 HB3 PRO A 67 15.917 4.726 -15.217 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.970 2.246 -13.793 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.546 2.586 -14.480 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.074 2.819 -11.808 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.232 3.848 -12.626 1.00 0.00 H new ATOM 1002 N GLY A 68 12.741 3.679 -12.728 1.00 0.00 N ATOM 1003 CA GLY A 68 11.356 3.300 -12.518 1.00 0.00 C ATOM 1004 C GLY A 68 11.103 1.837 -12.823 1.00 0.00 C ATOM 1005 O GLY A 68 10.046 1.477 -13.342 1.00 0.00 O ATOM 0 H GLY A 68 13.426 3.045 -12.316 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.079 3.506 -11.484 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.714 3.916 -13.148 1.00 0.00 H new ATOM 1009 N LEU A 69 12.075 0.990 -12.501 1.00 0.00 N ATOM 1010 CA LEU A 69 11.954 -0.443 -12.745 1.00 0.00 C ATOM 1011 C LEU A 69 11.264 -1.138 -11.576 1.00 0.00 C ATOM 1012 O LEU A 69 10.557 -2.128 -11.760 1.00 0.00 O ATOM 1013 CB LEU A 69 13.334 -1.059 -12.977 1.00 0.00 C ATOM 1014 CG LEU A 69 14.363 -0.840 -11.867 1.00 0.00 C ATOM 1015 CD1 LEU A 69 14.974 -2.164 -11.436 1.00 0.00 C ATOM 1016 CD2 LEU A 69 15.446 0.126 -12.327 1.00 0.00 C ATOM 0 H LEU A 69 12.956 1.271 -12.070 1.00 0.00 H new ATOM 0 HA LEU A 69 11.345 -0.584 -13.638 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.211 -2.132 -13.124 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.739 -0.655 -13.905 1.00 0.00 H new ATOM 0 HG LEU A 69 13.855 -0.402 -11.008 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.704 -1.988 -10.646 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.189 -2.823 -11.065 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.468 -2.631 -12.288 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.170 0.270 -11.525 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.951 -0.283 -13.202 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.994 1.084 -12.584 1.00 0.00 H new ATOM 1028 N MET A 70 11.472 -0.610 -10.374 1.00 0.00 N ATOM 1029 CA MET A 70 10.866 -1.178 -9.175 1.00 0.00 C ATOM 1030 C MET A 70 9.755 -0.276 -8.648 1.00 0.00 C ATOM 1031 O MET A 70 8.872 -0.725 -7.917 1.00 0.00 O ATOM 1032 CB MET A 70 11.927 -1.386 -8.092 1.00 0.00 C ATOM 1033 CG MET A 70 13.209 -2.017 -8.611 1.00 0.00 C ATOM 1034 SD MET A 70 12.966 -3.707 -9.192 1.00 0.00 S ATOM 1035 CE MET A 70 12.240 -4.463 -7.739 1.00 0.00 C ATOM 0 H MET A 70 12.055 0.210 -10.204 1.00 0.00 H new ATOM 0 HA MET A 70 10.432 -2.142 -9.439 1.00 0.00 H new ATOM 0 HB2 MET A 70 12.163 -0.424 -7.637 1.00 0.00 H new ATOM 0 HB3 MET A 70 11.513 -2.018 -7.306 1.00 0.00 H new ATOM 0 HG2 MET A 70 13.604 -1.410 -9.426 1.00 0.00 H new ATOM 0 HG3 MET A 70 13.958 -2.013 -7.819 1.00 0.00 H new ATOM 0 HE1 MET A 70 12.324 -5.547 -7.812 1.00 0.00 H new ATOM 0 HE2 MET A 70 12.765 -4.118 -6.848 1.00 0.00 H new ATOM 0 HE3 MET A 70 11.188 -4.185 -7.671 1.00 0.00 H new ATOM 1045 N LYS A 71 9.804 0.997 -9.024 1.00 0.00 N ATOM 1046 CA LYS A 71 8.801 1.962 -8.590 1.00 0.00 C ATOM 1047 C LYS A 71 7.512 1.804 -9.390 1.00 0.00 C ATOM 1048 O LYS A 71 6.428 2.140 -8.912 1.00 0.00 O ATOM 1049 CB LYS A 71 9.336 3.388 -8.741 1.00 0.00 C ATOM 1050 CG LYS A 71 8.786 4.357 -7.709 1.00 0.00 C ATOM 1051 CD LYS A 71 7.578 5.111 -8.239 1.00 0.00 C ATOM 1052 CE LYS A 71 7.439 6.475 -7.580 1.00 0.00 C ATOM 1053 NZ LYS A 71 6.194 7.172 -8.006 1.00 0.00 N ATOM 0 H LYS A 71 10.528 1.385 -9.629 1.00 0.00 H new ATOM 0 HA LYS A 71 8.581 1.772 -7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.423 3.369 -8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.092 3.755 -9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.508 3.811 -6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.563 5.067 -7.425 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.670 5.235 -9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.676 4.526 -8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.436 6.356 -6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.303 7.090 -7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.136 8.098 -7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.208 7.308 -9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.368 6.598 -7.744 1.00 0.00 H new ATOM 1067 N ASP A 72 7.637 1.291 -10.609 1.00 0.00 N ATOM 1068 CA ASP A 72 6.481 1.086 -11.475 1.00 0.00 C ATOM 1069 C ASP A 72 6.278 -0.397 -11.768 1.00 0.00 C ATOM 1070 O ASP A 72 5.959 -0.780 -12.894 1.00 0.00 O ATOM 1071 CB ASP A 72 6.654 1.858 -12.783 1.00 0.00 C ATOM 1072 CG ASP A 72 5.332 2.139 -13.469 1.00 0.00 C ATOM 1073 OD1 ASP A 72 4.278 1.849 -12.866 1.00 0.00 O ATOM 1074 OD2 ASP A 72 5.350 2.649 -14.609 1.00 0.00 O ATOM 0 H ASP A 72 8.527 1.009 -11.020 1.00 0.00 H new ATOM 0 HA ASP A 72 5.598 1.459 -10.956 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.162 2.801 -12.580 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.295 1.288 -13.456 1.00 0.00 H new ATOM 1079 N VAL A 73 6.466 -1.229 -10.748 1.00 0.00 N ATOM 1080 CA VAL A 73 6.304 -2.670 -10.896 1.00 0.00 C ATOM 1081 C VAL A 73 5.563 -3.265 -9.704 1.00 0.00 C ATOM 1082 O VAL A 73 4.830 -4.244 -9.841 1.00 0.00 O ATOM 1083 CB VAL A 73 7.665 -3.376 -11.045 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.056 -4.062 -9.745 1.00 0.00 C ATOM 1085 CG2 VAL A 73 7.625 -4.373 -12.193 1.00 0.00 C ATOM 0 H VAL A 73 6.731 -0.929 -9.810 1.00 0.00 H new ATOM 0 HA VAL A 73 5.719 -2.831 -11.801 1.00 0.00 H new ATOM 0 HB VAL A 73 8.421 -2.625 -11.273 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.020 -4.555 -9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.128 -3.320 -8.950 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.301 -4.803 -9.483 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.595 -4.862 -12.284 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.857 -5.122 -11.998 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.394 -3.850 -13.121 1.00 0.00 H new ATOM 1095 N ALA A 74 5.759 -2.666 -8.534 1.00 0.00 N ATOM 1096 CA ALA A 74 5.108 -3.135 -7.317 1.00 0.00 C ATOM 1097 C ALA A 74 3.592 -3.161 -7.481 1.00 0.00 C ATOM 1098 O ALA A 74 2.890 -3.860 -6.750 1.00 0.00 O ATOM 1099 CB ALA A 74 5.498 -2.257 -6.137 1.00 0.00 C ATOM 0 H ALA A 74 6.363 -1.855 -8.403 1.00 0.00 H new ATOM 0 HA ALA A 74 5.444 -4.154 -7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.004 -2.619 -5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.579 -2.293 -5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.191 -1.229 -6.331 1.00 0.00 H new ATOM 1105 N LYS A 75 3.093 -2.393 -8.444 1.00 0.00 N ATOM 1106 CA LYS A 75 1.660 -2.328 -8.705 1.00 0.00 C ATOM 1107 C LYS A 75 1.307 -3.061 -9.995 1.00 0.00 C ATOM 1108 O LYS A 75 0.134 -3.268 -10.303 1.00 0.00 O ATOM 1109 CB LYS A 75 1.203 -0.870 -8.793 1.00 0.00 C ATOM 1110 CG LYS A 75 2.093 -0.005 -9.668 1.00 0.00 C ATOM 1111 CD LYS A 75 1.729 -0.137 -11.137 1.00 0.00 C ATOM 1112 CE LYS A 75 0.355 0.447 -11.425 1.00 0.00 C ATOM 1113 NZ LYS A 75 0.430 1.615 -12.346 1.00 0.00 N ATOM 0 H LYS A 75 3.660 -1.807 -9.057 1.00 0.00 H new ATOM 0 HA LYS A 75 1.143 -2.816 -7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.185 -0.840 -9.182 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.173 -0.446 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.003 1.037 -9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.135 -0.291 -9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.477 0.372 -11.745 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.746 -1.188 -11.424 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.281 -0.321 -11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.113 0.752 -10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.527 1.984 -12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.016 2.359 -11.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.853 1.319 -13.249 1.00 0.00 H new ATOM 1127 N VAL A 76 2.332 -3.453 -10.746 1.00 0.00 N ATOM 1128 CA VAL A 76 2.130 -4.166 -12.002 1.00 0.00 C ATOM 1129 C VAL A 76 2.059 -5.672 -11.774 1.00 0.00 C ATOM 1130 O VAL A 76 2.508 -6.177 -10.745 1.00 0.00 O ATOM 1131 CB VAL A 76 3.258 -3.863 -13.006 1.00 0.00 C ATOM 1132 CG1 VAL A 76 2.895 -4.381 -14.390 1.00 0.00 C ATOM 1133 CG2 VAL A 76 3.548 -2.370 -13.047 1.00 0.00 C ATOM 0 H VAL A 76 3.310 -3.289 -10.506 1.00 0.00 H new ATOM 0 HA VAL A 76 1.183 -3.819 -12.414 1.00 0.00 H new ATOM 0 HB VAL A 76 4.161 -4.377 -12.677 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.704 -4.158 -15.086 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.741 -5.459 -14.346 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.979 -3.898 -14.731 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.348 -2.174 -13.761 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.650 -1.833 -13.352 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.855 -2.032 -12.057 1.00 0.00 H new ATOM 1143 N PHE A 77 1.491 -6.385 -12.741 1.00 0.00 N ATOM 1144 CA PHE A 77 1.360 -7.834 -12.646 1.00 0.00 C ATOM 1145 C PHE A 77 1.301 -8.467 -14.034 1.00 0.00 C ATOM 1146 O PHE A 77 0.623 -7.962 -14.928 1.00 0.00 O ATOM 1147 CB PHE A 77 0.106 -8.203 -11.851 1.00 0.00 C ATOM 1148 CG PHE A 77 -0.132 -9.683 -11.759 1.00 0.00 C ATOM 1149 CD1 PHE A 77 -0.850 -10.345 -12.742 1.00 0.00 C ATOM 1150 CD2 PHE A 77 0.363 -10.412 -10.691 1.00 0.00 C ATOM 1151 CE1 PHE A 77 -1.071 -11.706 -12.660 1.00 0.00 C ATOM 1152 CE2 PHE A 77 0.146 -11.775 -10.603 1.00 0.00 C ATOM 1153 CZ PHE A 77 -0.572 -12.423 -11.590 1.00 0.00 C ATOM 0 H PHE A 77 1.114 -5.983 -13.599 1.00 0.00 H new ATOM 0 HA PHE A 77 2.237 -8.220 -12.127 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.190 -7.793 -10.844 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.760 -7.732 -12.315 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.241 -9.790 -13.582 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.925 -9.910 -9.917 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.634 -12.209 -13.432 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.537 -12.332 -9.764 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.743 -13.487 -11.525 1.00 0.00 H new