USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 534 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 4 MET CE :methyl -146:sc= -0.133 (180deg=-0.878) USER MOD Set 1.2: A 63 CYS SG : rot 174:sc= 0.483 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= -0.122 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 51:sc= -1.18 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -120:sc= -0.827 USER MOD Single : A 34 THR OG1 : rot -47:sc= 0.778 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc=-0.00368 F(o=-0.55,f=-0.0037) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -162:sc= -2! (180deg=-2.9!) USER MOD Single : A 48 THR OG1 : rot -24:sc= 0.0636 USER MOD Single : A 57 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.066) USER MOD Single : A 61 SER OG : rot 78:sc= 0.208 USER MOD Single : A 64 ASN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl 172:sc= -1.28 (180deg=-1.29) 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 3.474 -5.143 -5.073 1.00 0.00 N ATOM 24 CA ASP A 3 4.095 -4.609 -6.280 1.00 0.00 C ATOM 25 C ASP A 3 3.063 -4.432 -7.389 1.00 0.00 C ATOM 26 O ASP A 3 3.232 -3.600 -8.280 1.00 0.00 O ATOM 27 CB ASP A 3 5.217 -5.535 -6.754 1.00 0.00 C ATOM 28 CG ASP A 3 6.359 -5.616 -5.760 1.00 0.00 C ATOM 29 OD1 ASP A 3 7.025 -4.583 -5.536 1.00 0.00 O ATOM 30 OD2 ASP A 3 6.586 -6.711 -5.206 1.00 0.00 O ATOM 0 HA ASP A 3 4.516 -3.633 -6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.814 -6.534 -6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.597 -5.180 -7.712 1.00 0.00 H new ATOM 35 N MET A 4 1.995 -5.220 -7.328 1.00 0.00 N ATOM 36 CA MET A 4 0.935 -5.149 -8.328 1.00 0.00 C ATOM 37 C MET A 4 0.527 -3.702 -8.585 1.00 0.00 C ATOM 38 O MET A 4 0.198 -3.332 -9.712 1.00 0.00 O ATOM 39 CB MET A 4 -0.279 -5.961 -7.873 1.00 0.00 C ATOM 40 CG MET A 4 -0.279 -7.393 -8.384 1.00 0.00 C ATOM 41 SD MET A 4 1.257 -8.262 -8.014 1.00 0.00 S ATOM 42 CE MET A 4 1.817 -8.677 -9.663 1.00 0.00 C ATOM 0 H MET A 4 1.840 -5.915 -6.597 1.00 0.00 H new ATOM 0 HA MET A 4 1.317 -5.571 -9.258 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.310 -5.973 -6.784 1.00 0.00 H new ATOM 0 HB3 MET A 4 -1.187 -5.463 -8.213 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.114 -7.934 -7.939 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.440 -7.390 -9.462 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.331 -9.638 -9.642 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.960 -8.739 -10.334 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.502 -7.907 -10.019 1.00 0.00 H new ATOM 52 N GLU A 5 0.549 -2.889 -7.534 1.00 0.00 N ATOM 53 CA GLU A 5 0.180 -1.483 -7.648 1.00 0.00 C ATOM 54 C GLU A 5 1.143 -0.741 -8.570 1.00 0.00 C ATOM 55 O GLU A 5 0.722 0.029 -9.434 1.00 0.00 O ATOM 56 CB GLU A 5 0.167 -0.823 -6.267 1.00 0.00 C ATOM 57 CG GLU A 5 -0.827 0.321 -6.150 1.00 0.00 C ATOM 58 CD GLU A 5 -1.392 0.461 -4.750 1.00 0.00 C ATOM 59 OE1 GLU A 5 -0.595 0.585 -3.797 1.00 0.00 O ATOM 60 OE2 GLU A 5 -2.633 0.446 -4.607 1.00 0.00 O ATOM 0 H GLU A 5 0.818 -3.180 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.820 -1.430 -8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.068 -1.576 -5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.166 -0.450 -6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.338 1.253 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.644 0.161 -6.853 1.00 0.00 H new ATOM 67 N ARG A 6 2.436 -0.977 -8.379 1.00 0.00 N ATOM 68 CA ARG A 6 3.460 -0.330 -9.191 1.00 0.00 C ATOM 69 C ARG A 6 3.213 -0.580 -10.676 1.00 0.00 C ATOM 70 O ARG A 6 3.004 0.357 -11.447 1.00 0.00 O ATOM 71 CB ARG A 6 4.848 -0.839 -8.801 1.00 0.00 C ATOM 72 CG ARG A 6 5.462 -0.095 -7.626 1.00 0.00 C ATOM 73 CD ARG A 6 4.581 -0.181 -6.390 1.00 0.00 C ATOM 74 NE ARG A 6 5.159 0.533 -5.255 1.00 0.00 N ATOM 75 CZ ARG A 6 5.238 1.857 -5.182 1.00 0.00 C ATOM 76 NH1 ARG A 6 4.777 2.607 -6.174 1.00 0.00 N ATOM 77 NH2 ARG A 6 5.777 2.433 -4.116 1.00 0.00 N ATOM 0 H ARG A 6 2.800 -1.612 -7.669 1.00 0.00 H new ATOM 0 HA ARG A 6 3.410 0.743 -9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.781 -1.899 -8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.512 -0.754 -9.661 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.444 -0.512 -7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.613 0.951 -7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.598 0.233 -6.616 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.433 -1.227 -6.123 1.00 0.00 H new ATOM 0 HE ARG A 6 5.522 -0.015 -4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.361 2.167 -6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.839 3.623 -6.116 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.132 1.859 -3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.837 3.450 -4.061 1.00 0.00 H new ATOM 91 N ILE A 7 3.240 -1.849 -11.069 1.00 0.00 N ATOM 92 CA ILE A 7 3.019 -2.222 -12.461 1.00 0.00 C ATOM 93 C ILE A 7 1.696 -1.666 -12.976 1.00 0.00 C ATOM 94 O ILE A 7 1.639 -1.063 -14.048 1.00 0.00 O ATOM 95 CB ILE A 7 3.025 -3.751 -12.642 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.267 -4.360 -11.987 1.00 0.00 C ATOM 97 CG2 ILE A 7 2.970 -4.110 -14.120 1.00 0.00 C ATOM 98 CD1 ILE A 7 3.984 -5.025 -10.658 1.00 0.00 C ATOM 0 H ILE A 7 3.413 -2.636 -10.443 1.00 0.00 H new ATOM 0 HA ILE A 7 3.839 -1.793 -13.036 1.00 0.00 H new ATOM 0 HB ILE A 7 2.141 -4.163 -12.154 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.703 -5.093 -12.665 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.012 -3.578 -11.841 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.975 -5.194 -14.231 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.059 -3.704 -14.559 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.837 -3.689 -14.629 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.909 -5.434 -10.252 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.576 -4.291 -9.963 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.263 -5.830 -10.800 1.00 0.00 H new ATOM 110 N PHE A 8 0.634 -1.871 -12.204 1.00 0.00 N ATOM 111 CA PHE A 8 -0.690 -1.389 -12.581 1.00 0.00 C ATOM 112 C PHE A 8 -0.654 0.103 -12.903 1.00 0.00 C ATOM 113 O PHE A 8 -1.313 0.565 -13.834 1.00 0.00 O ATOM 114 CB PHE A 8 -1.692 -1.656 -11.457 1.00 0.00 C ATOM 115 CG PHE A 8 -3.052 -1.073 -11.716 1.00 0.00 C ATOM 116 CD1 PHE A 8 -3.978 -1.755 -12.488 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.404 0.159 -11.187 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.230 -1.222 -12.728 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.655 0.697 -11.422 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.569 0.007 -12.195 1.00 0.00 C ATOM 0 H PHE A 8 0.664 -2.368 -11.314 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.005 -1.928 -13.474 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.788 -2.732 -11.315 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.300 -1.245 -10.527 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.718 -2.716 -12.908 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.693 0.704 -10.585 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.942 -1.765 -13.331 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.918 1.656 -11.002 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.546 0.427 -12.382 1.00 0.00 H new ATOM 130 N LYS A 9 0.120 0.851 -12.124 1.00 0.00 N ATOM 131 CA LYS A 9 0.243 2.290 -12.324 1.00 0.00 C ATOM 132 C LYS A 9 1.221 2.601 -13.453 1.00 0.00 C ATOM 133 O LYS A 9 1.200 3.692 -14.023 1.00 0.00 O ATOM 134 CB LYS A 9 0.707 2.967 -11.033 1.00 0.00 C ATOM 135 CG LYS A 9 -0.352 2.994 -9.945 1.00 0.00 C ATOM 136 CD LYS A 9 0.269 2.957 -8.559 1.00 0.00 C ATOM 137 CE LYS A 9 1.041 4.233 -8.260 1.00 0.00 C ATOM 138 NZ LYS A 9 0.135 5.354 -7.888 1.00 0.00 N ATOM 0 H LYS A 9 0.672 0.484 -11.348 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.738 2.678 -12.599 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.589 2.448 -10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.011 3.989 -11.258 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.958 3.894 -10.049 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.022 2.143 -10.067 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.513 2.820 -7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.937 2.099 -8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.745 4.050 -7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.629 4.515 -9.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.699 6.206 -7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.520 5.546 -8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.407 5.095 -7.039 1.00 0.00 H new ATOM 152 N ARG A 10 2.076 1.634 -13.771 1.00 0.00 N ATOM 153 CA ARG A 10 3.062 1.805 -14.832 1.00 0.00 C ATOM 154 C ARG A 10 2.387 2.205 -16.141 1.00 0.00 C ATOM 155 O ARG A 10 2.700 3.245 -16.721 1.00 0.00 O ATOM 156 CB ARG A 10 3.858 0.514 -15.030 1.00 0.00 C ATOM 157 CG ARG A 10 5.096 0.689 -15.896 1.00 0.00 C ATOM 158 CD ARG A 10 5.665 -0.652 -16.331 1.00 0.00 C ATOM 159 NE ARG A 10 7.047 -0.538 -16.790 1.00 0.00 N ATOM 160 CZ ARG A 10 7.666 -1.474 -17.499 1.00 0.00 C ATOM 161 NH1 ARG A 10 7.029 -2.589 -17.830 1.00 0.00 N ATOM 162 NH2 ARG A 10 8.924 -1.297 -17.880 1.00 0.00 N ATOM 0 H ARG A 10 2.106 0.725 -13.310 1.00 0.00 H new ATOM 0 HA ARG A 10 3.744 2.602 -14.536 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.158 0.129 -14.055 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.210 -0.236 -15.484 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.845 1.282 -16.776 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.853 1.245 -15.343 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.616 -1.354 -15.498 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.050 -1.064 -17.131 1.00 0.00 H new ATOM 0 HE ARG A 10 7.565 0.308 -16.553 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.061 -2.729 -17.540 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.507 -3.307 -18.375 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.417 -0.441 -17.628 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.398 -2.017 -18.425 1.00 0.00 H new ATOM 176 N PHE A 11 1.460 1.371 -16.602 1.00 0.00 N ATOM 177 CA PHE A 11 0.743 1.637 -17.844 1.00 0.00 C ATOM 178 C PHE A 11 -0.282 2.751 -17.652 1.00 0.00 C ATOM 179 O PHE A 11 -0.710 3.388 -18.614 1.00 0.00 O ATOM 180 CB PHE A 11 0.046 0.366 -18.336 1.00 0.00 C ATOM 181 CG PHE A 11 0.950 -0.832 -18.386 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.297 -0.688 -18.677 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.453 -2.102 -18.143 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.131 -1.790 -18.725 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.282 -3.207 -18.188 1.00 0.00 C ATOM 186 CZ PHE A 11 2.623 -3.050 -18.479 1.00 0.00 C ATOM 0 H PHE A 11 1.188 0.506 -16.135 1.00 0.00 H new ATOM 0 HA PHE A 11 1.468 1.959 -18.592 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.798 0.147 -17.682 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.361 0.546 -19.331 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.700 0.296 -18.868 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.595 -2.230 -17.916 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.179 -1.665 -18.955 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.882 -4.192 -17.996 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.273 -3.912 -18.514 1.00 0.00 H new ATOM 196 N ASP A 12 -0.673 2.978 -16.402 1.00 0.00 N ATOM 197 CA ASP A 12 -1.647 4.015 -16.083 1.00 0.00 C ATOM 198 C ASP A 12 -1.006 5.398 -16.135 1.00 0.00 C ATOM 199 O ASP A 12 -0.871 6.072 -15.112 1.00 0.00 O ATOM 200 CB ASP A 12 -2.248 3.770 -14.698 1.00 0.00 C ATOM 201 CG ASP A 12 -3.591 4.452 -14.521 1.00 0.00 C ATOM 202 OD1 ASP A 12 -3.842 5.457 -15.218 1.00 0.00 O ATOM 203 OD2 ASP A 12 -4.390 3.981 -13.685 1.00 0.00 O ATOM 0 H ASP A 12 -0.330 2.458 -15.594 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.441 3.975 -16.828 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.365 2.698 -14.540 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.557 4.131 -13.936 1.00 0.00 H new ATOM 262 N LYS A 18 -8.082 2.318 -15.251 1.00 0.00 N ATOM 263 CA LYS A 18 -7.821 1.060 -15.941 1.00 0.00 C ATOM 264 C LYS A 18 -6.601 1.180 -16.848 1.00 0.00 C ATOM 265 O LYS A 18 -6.141 2.283 -17.143 1.00 0.00 O ATOM 266 CB LYS A 18 -9.043 0.643 -16.763 1.00 0.00 C ATOM 267 CG LYS A 18 -10.299 0.450 -15.932 1.00 0.00 C ATOM 268 CD LYS A 18 -11.442 -0.099 -16.768 1.00 0.00 C ATOM 269 CE LYS A 18 -12.736 0.657 -16.508 1.00 0.00 C ATOM 270 NZ LYS A 18 -13.931 -0.217 -16.669 1.00 0.00 N ATOM 0 HA LYS A 18 -7.619 0.297 -15.189 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.234 1.400 -17.524 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.818 -0.286 -17.287 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.090 -0.232 -15.108 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.594 1.402 -15.491 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.186 -0.031 -17.825 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.585 -1.156 -16.542 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.720 1.068 -15.499 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.808 1.501 -17.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.793 0.335 -16.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.961 -0.589 -17.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.875 -1.008 -15.996 1.00 0.00 H new ATOM 284 N ILE A 19 -6.083 0.038 -17.288 1.00 0.00 N ATOM 285 CA ILE A 19 -4.918 0.017 -18.164 1.00 0.00 C ATOM 286 C ILE A 19 -5.135 -0.924 -19.344 1.00 0.00 C ATOM 287 O ILE A 19 -5.654 -2.029 -19.184 1.00 0.00 O ATOM 288 CB ILE A 19 -3.650 -0.415 -17.404 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.853 -1.793 -16.771 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.292 0.614 -16.342 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.634 -2.306 -16.037 1.00 0.00 C ATOM 0 H ILE A 19 -6.451 -0.884 -17.053 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.782 1.034 -18.533 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.824 -0.479 -18.112 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.692 -1.745 -16.077 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.125 -2.505 -17.550 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.394 0.294 -15.814 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.110 1.578 -16.816 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.115 0.708 -15.634 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.850 -3.287 -15.614 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.798 -2.387 -16.732 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.374 -1.614 -15.236 1.00 0.00 H new ATOM 303 N SER A 20 -4.732 -0.479 -20.531 1.00 0.00 N ATOM 304 CA SER A 20 -4.884 -1.281 -21.739 1.00 0.00 C ATOM 305 C SER A 20 -4.198 -2.634 -21.583 1.00 0.00 C ATOM 306 O SER A 20 -3.002 -2.708 -21.295 1.00 0.00 O ATOM 307 CB SER A 20 -4.305 -0.538 -22.945 1.00 0.00 C ATOM 308 OG SER A 20 -4.030 -1.432 -24.010 1.00 0.00 O ATOM 0 H SER A 20 -4.298 0.432 -20.681 1.00 0.00 H new ATOM 0 HA SER A 20 -5.948 -1.450 -21.902 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.009 0.225 -23.279 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.390 -0.022 -22.654 1.00 0.00 H new ATOM 0 HG SER A 20 -3.662 -0.933 -24.769 1.00 0.00 H new ATOM 314 N LEU A 21 -4.962 -3.704 -21.776 1.00 0.00 N ATOM 315 CA LEU A 21 -4.430 -5.056 -21.657 1.00 0.00 C ATOM 316 C LEU A 21 -3.806 -5.514 -22.972 1.00 0.00 C ATOM 317 O LEU A 21 -3.062 -6.494 -23.010 1.00 0.00 O ATOM 318 CB LEU A 21 -5.536 -6.027 -21.239 1.00 0.00 C ATOM 319 CG LEU A 21 -6.912 -5.782 -21.859 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.834 -5.847 -23.376 1.00 0.00 C ATOM 321 CD2 LEU A 21 -7.922 -6.791 -21.331 1.00 0.00 C ATOM 0 H LEU A 21 -5.952 -3.661 -22.016 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.654 -5.048 -20.891 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.220 -7.039 -21.494 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.636 -5.988 -20.154 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.244 -4.783 -21.576 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.823 -5.670 -23.799 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.143 -5.086 -23.738 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.480 -6.832 -23.680 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.896 -6.602 -21.783 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.595 -7.800 -21.583 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.000 -6.695 -20.248 1.00 0.00 H new ATOM 333 N SER A 22 -4.114 -4.796 -24.048 1.00 0.00 N ATOM 334 CA SER A 22 -3.585 -5.129 -25.365 1.00 0.00 C ATOM 335 C SER A 22 -2.152 -4.628 -25.518 1.00 0.00 C ATOM 336 O SER A 22 -1.276 -5.356 -25.984 1.00 0.00 O ATOM 337 CB SER A 22 -4.468 -4.525 -26.460 1.00 0.00 C ATOM 338 OG SER A 22 -5.534 -5.396 -26.793 1.00 0.00 O ATOM 0 H SER A 22 -4.727 -3.981 -24.033 1.00 0.00 H new ATOM 0 HA SER A 22 -3.584 -6.214 -25.465 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.867 -3.568 -26.123 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.867 -4.325 -27.347 1.00 0.00 H new ATOM 0 HG SER A 22 -6.084 -4.987 -27.493 1.00 0.00 H new ATOM 344 N GLU A 23 -1.922 -3.381 -25.121 1.00 0.00 N ATOM 345 CA GLU A 23 -0.596 -2.782 -25.215 1.00 0.00 C ATOM 346 C GLU A 23 0.381 -3.472 -24.266 1.00 0.00 C ATOM 347 O GLU A 23 1.591 -3.473 -24.496 1.00 0.00 O ATOM 348 CB GLU A 23 -0.663 -1.287 -24.896 1.00 0.00 C ATOM 349 CG GLU A 23 -0.946 -0.989 -23.433 1.00 0.00 C ATOM 350 CD GLU A 23 -1.012 0.498 -23.143 1.00 0.00 C ATOM 351 OE1 GLU A 23 -1.220 1.279 -24.095 1.00 0.00 O ATOM 352 OE2 GLU A 23 -0.855 0.881 -21.965 1.00 0.00 O ATOM 0 H GLU A 23 -2.636 -2.766 -24.731 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.238 -2.913 -26.236 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.282 -0.821 -25.177 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.439 -0.828 -25.508 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.890 -1.453 -23.147 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.169 -1.441 -22.817 1.00 0.00 H new ATOM 359 N LEU A 24 -0.154 -4.058 -23.201 1.00 0.00 N ATOM 360 CA LEU A 24 0.669 -4.752 -22.216 1.00 0.00 C ATOM 361 C LEU A 24 1.423 -5.913 -22.857 1.00 0.00 C ATOM 362 O LEU A 24 2.654 -5.933 -22.879 1.00 0.00 O ATOM 363 CB LEU A 24 -0.200 -5.266 -21.067 1.00 0.00 C ATOM 364 CG LEU A 24 0.410 -6.374 -20.207 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.065 -7.741 -20.776 1.00 0.00 C ATOM 366 CD2 LEU A 24 1.919 -6.201 -20.106 1.00 0.00 C ATOM 0 H LEU A 24 -1.153 -4.067 -22.997 1.00 0.00 H new ATOM 0 HA LEU A 24 1.397 -4.042 -21.823 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.445 -4.424 -20.419 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.138 -5.632 -21.483 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.011 -6.304 -19.204 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.507 -8.517 -20.151 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.018 -7.864 -20.796 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.458 -7.823 -21.789 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.336 -6.998 -19.491 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.358 -6.245 -21.103 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.145 -5.236 -19.652 1.00 0.00 H new ATOM 378 N THR A 25 0.675 -6.880 -23.381 1.00 0.00 N ATOM 379 CA THR A 25 1.272 -8.044 -24.023 1.00 0.00 C ATOM 380 C THR A 25 2.248 -7.628 -25.118 1.00 0.00 C ATOM 381 O THR A 25 3.274 -8.275 -25.326 1.00 0.00 O ATOM 382 CB THR A 25 0.196 -8.962 -24.633 1.00 0.00 C ATOM 383 OG1 THR A 25 0.809 -9.940 -25.480 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.816 -8.154 -25.432 1.00 0.00 C ATOM 0 H THR A 25 -0.345 -6.879 -23.373 1.00 0.00 H new ATOM 0 HA THR A 25 1.810 -8.591 -23.249 1.00 0.00 H new ATOM 0 HB THR A 25 -0.326 -9.464 -23.818 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.537 -10.382 -24.995 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.566 -8.824 -25.853 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.302 -7.431 -24.777 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.306 -7.628 -26.239 1.00 0.00 H new ATOM 392 N ASP A 26 1.922 -6.544 -25.813 1.00 0.00 N ATOM 393 CA ASP A 26 2.772 -6.040 -26.886 1.00 0.00 C ATOM 394 C ASP A 26 3.950 -5.252 -26.322 1.00 0.00 C ATOM 395 O ASP A 26 4.962 -5.061 -26.996 1.00 0.00 O ATOM 396 CB ASP A 26 1.961 -5.158 -27.836 1.00 0.00 C ATOM 397 CG ASP A 26 2.525 -5.153 -29.244 1.00 0.00 C ATOM 398 OD1 ASP A 26 3.671 -4.692 -29.421 1.00 0.00 O ATOM 399 OD2 ASP A 26 1.818 -5.608 -30.168 1.00 0.00 O ATOM 0 H ASP A 26 1.076 -5.997 -25.653 1.00 0.00 H new ATOM 0 HA ASP A 26 3.161 -6.895 -27.439 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.930 -5.509 -27.862 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.941 -4.138 -27.452 1.00 0.00 H new ATOM 404 N ALA A 27 3.810 -4.796 -25.081 1.00 0.00 N ATOM 405 CA ALA A 27 4.863 -4.030 -24.426 1.00 0.00 C ATOM 406 C ALA A 27 5.863 -4.950 -23.734 1.00 0.00 C ATOM 407 O ALA A 27 7.064 -4.677 -23.715 1.00 0.00 O ATOM 408 CB ALA A 27 4.261 -3.054 -23.425 1.00 0.00 C ATOM 0 H ALA A 27 2.978 -4.944 -24.510 1.00 0.00 H new ATOM 0 HA ALA A 27 5.397 -3.466 -25.191 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.059 -2.489 -22.943 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.592 -2.367 -23.944 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.701 -3.606 -22.670 1.00 0.00 H new ATOM 414 N LEU A 28 5.361 -6.041 -23.167 1.00 0.00 N ATOM 415 CA LEU A 28 6.211 -7.003 -22.473 1.00 0.00 C ATOM 416 C LEU A 28 7.392 -7.415 -23.346 1.00 0.00 C ATOM 417 O LEU A 28 8.543 -7.365 -22.913 1.00 0.00 O ATOM 418 CB LEU A 28 5.399 -8.238 -22.077 1.00 0.00 C ATOM 419 CG LEU A 28 4.792 -8.220 -20.674 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.857 -9.404 -20.482 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.888 -8.228 -19.618 1.00 0.00 C ATOM 0 H LEU A 28 4.370 -6.282 -23.174 1.00 0.00 H new ATOM 0 HA LEU A 28 6.598 -6.526 -21.572 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.592 -8.364 -22.799 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.042 -9.114 -22.162 1.00 0.00 H new ATOM 0 HG LEU A 28 4.213 -7.303 -20.561 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.434 -9.375 -19.478 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.053 -9.355 -21.216 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.413 -10.332 -20.615 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.437 -8.215 -18.626 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.494 -9.127 -19.729 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.519 -7.348 -19.742 1.00 0.00 H new ATOM 433 N ARG A 29 7.099 -7.819 -24.577 1.00 0.00 N ATOM 434 CA ARG A 29 8.137 -8.239 -25.511 1.00 0.00 C ATOM 435 C ARG A 29 9.215 -7.167 -25.643 1.00 0.00 C ATOM 436 O ARG A 29 10.408 -7.471 -25.680 1.00 0.00 O ATOM 437 CB ARG A 29 7.528 -8.536 -26.883 1.00 0.00 C ATOM 438 CG ARG A 29 6.664 -7.409 -27.423 1.00 0.00 C ATOM 439 CD ARG A 29 5.807 -7.875 -28.590 1.00 0.00 C ATOM 440 NE ARG A 29 6.601 -8.113 -29.792 1.00 0.00 N ATOM 441 CZ ARG A 29 7.153 -7.143 -30.512 1.00 0.00 C ATOM 442 NH1 ARG A 29 6.998 -5.876 -30.154 1.00 0.00 N ATOM 443 NH2 ARG A 29 7.862 -7.440 -31.594 1.00 0.00 N ATOM 0 H ARG A 29 6.151 -7.865 -24.951 1.00 0.00 H new ATOM 0 HA ARG A 29 8.597 -9.147 -25.121 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.331 -8.738 -27.592 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.927 -9.443 -26.816 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.023 -7.028 -26.628 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.299 -6.583 -27.743 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.285 -8.791 -28.313 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.045 -7.125 -28.802 1.00 0.00 H new ATOM 0 HE ARG A 29 6.739 -9.077 -30.095 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.453 -5.644 -29.323 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.423 -5.133 -30.709 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.983 -8.414 -31.873 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.286 -6.695 -32.147 1.00 0.00 H new ATOM 457 N THR A 30 8.787 -5.910 -25.714 1.00 0.00 N ATOM 458 CA THR A 30 9.715 -4.793 -25.843 1.00 0.00 C ATOM 459 C THR A 30 10.653 -4.716 -24.644 1.00 0.00 C ATOM 460 O THR A 30 11.758 -4.180 -24.740 1.00 0.00 O ATOM 461 CB THR A 30 8.966 -3.454 -25.982 1.00 0.00 C ATOM 462 OG1 THR A 30 9.484 -2.717 -27.095 1.00 0.00 O ATOM 463 CG2 THR A 30 9.099 -2.626 -24.713 1.00 0.00 C ATOM 0 H THR A 30 7.804 -5.640 -25.684 1.00 0.00 H new ATOM 0 HA THR A 30 10.299 -4.970 -26.746 1.00 0.00 H new ATOM 0 HB THR A 30 7.910 -3.668 -26.148 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.002 -1.868 -27.178 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.562 -1.685 -24.835 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.678 -3.178 -23.873 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.152 -2.421 -24.521 1.00 0.00 H new ATOM 471 N LEU A 31 10.207 -5.254 -23.514 1.00 0.00 N ATOM 472 CA LEU A 31 11.007 -5.247 -22.295 1.00 0.00 C ATOM 473 C LEU A 31 11.949 -6.447 -22.254 1.00 0.00 C ATOM 474 O LEU A 31 12.870 -6.499 -21.440 1.00 0.00 O ATOM 475 CB LEU A 31 10.099 -5.256 -21.064 1.00 0.00 C ATOM 476 CG LEU A 31 9.881 -3.906 -20.381 1.00 0.00 C ATOM 477 CD1 LEU A 31 11.211 -3.294 -19.970 1.00 0.00 C ATOM 478 CD2 LEU A 31 9.118 -2.961 -21.298 1.00 0.00 C ATOM 0 H LEU A 31 9.295 -5.701 -23.417 1.00 0.00 H new ATOM 0 HA LEU A 31 11.607 -4.337 -22.290 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.127 -5.653 -21.357 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.519 -5.947 -20.333 1.00 0.00 H new ATOM 0 HG LEU A 31 9.286 -4.068 -19.482 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.035 -2.334 -19.486 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.720 -3.963 -19.276 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.832 -3.146 -20.853 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.972 -2.005 -20.795 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.687 -2.806 -22.215 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.148 -3.395 -21.542 1.00 0.00 H new ATOM 490 N GLY A 32 11.712 -7.409 -23.141 1.00 0.00 N ATOM 491 CA GLY A 32 12.548 -8.594 -23.191 1.00 0.00 C ATOM 492 C GLY A 32 11.814 -9.841 -22.741 1.00 0.00 C ATOM 493 O GLY A 32 12.350 -10.947 -22.816 1.00 0.00 O ATOM 0 H GLY A 32 10.956 -7.389 -23.826 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.910 -8.737 -24.209 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.424 -8.444 -22.560 1.00 0.00 H new ATOM 497 N SER A 33 10.584 -9.664 -22.269 1.00 0.00 N ATOM 498 CA SER A 33 9.776 -10.784 -21.800 1.00 0.00 C ATOM 499 C SER A 33 9.576 -11.812 -22.909 1.00 0.00 C ATOM 500 O SER A 33 9.258 -11.463 -24.047 1.00 0.00 O ATOM 501 CB SER A 33 8.419 -10.287 -21.299 1.00 0.00 C ATOM 502 OG SER A 33 8.287 -10.487 -19.902 1.00 0.00 O ATOM 0 H SER A 33 10.125 -8.756 -22.201 1.00 0.00 H new ATOM 0 HA SER A 33 10.306 -11.262 -20.977 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.308 -9.228 -21.530 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.620 -10.812 -21.822 1.00 0.00 H new ATOM 0 HG SER A 33 7.519 -11.069 -19.726 1.00 0.00 H new ATOM 508 N THR A 34 9.766 -13.084 -22.571 1.00 0.00 N ATOM 509 CA THR A 34 9.608 -14.164 -23.536 1.00 0.00 C ATOM 510 C THR A 34 8.257 -14.852 -23.376 1.00 0.00 C ATOM 511 O THR A 34 8.119 -16.042 -23.658 1.00 0.00 O ATOM 512 CB THR A 34 10.726 -15.214 -23.393 1.00 0.00 C ATOM 513 OG1 THR A 34 10.651 -16.159 -24.466 1.00 0.00 O ATOM 514 CG2 THR A 34 10.618 -15.941 -22.061 1.00 0.00 C ATOM 0 H THR A 34 10.030 -13.391 -21.635 1.00 0.00 H new ATOM 0 HA THR A 34 9.668 -13.713 -24.527 1.00 0.00 H new ATOM 0 HB THR A 34 11.686 -14.698 -23.431 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.725 -16.463 -24.570 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.418 -16.677 -21.983 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.705 -15.222 -21.246 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.653 -16.445 -21.999 1.00 0.00 H new ATOM 522 N SER A 35 7.263 -14.095 -22.923 1.00 0.00 N ATOM 523 CA SER A 35 5.923 -14.633 -22.722 1.00 0.00 C ATOM 524 C SER A 35 4.866 -13.676 -23.266 1.00 0.00 C ATOM 525 O SER A 35 3.722 -13.676 -22.814 1.00 0.00 O ATOM 526 CB SER A 35 5.673 -14.896 -21.236 1.00 0.00 C ATOM 527 OG SER A 35 6.658 -15.761 -20.698 1.00 0.00 O ATOM 0 H SER A 35 7.360 -13.107 -22.688 1.00 0.00 H new ATOM 0 HA SER A 35 5.851 -15.574 -23.267 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.677 -13.952 -20.691 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.685 -15.337 -21.103 1.00 0.00 H new ATOM 0 HG SER A 35 6.476 -15.912 -19.747 1.00 0.00 H new ATOM 533 N ALA A 36 5.260 -12.861 -24.239 1.00 0.00 N ATOM 534 CA ALA A 36 4.347 -11.901 -24.847 1.00 0.00 C ATOM 535 C ALA A 36 3.230 -12.609 -25.605 1.00 0.00 C ATOM 536 O ALA A 36 2.144 -12.057 -25.787 1.00 0.00 O ATOM 537 CB ALA A 36 5.108 -10.965 -25.775 1.00 0.00 C ATOM 0 H ALA A 36 6.205 -12.846 -24.623 1.00 0.00 H new ATOM 0 HA ALA A 36 3.892 -11.314 -24.049 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.414 -10.253 -26.223 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.865 -10.425 -25.206 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.590 -11.545 -26.562 1.00 0.00 H new ATOM 543 N ASP A 37 3.502 -13.832 -26.045 1.00 0.00 N ATOM 544 CA ASP A 37 2.519 -14.616 -26.783 1.00 0.00 C ATOM 545 C ASP A 37 1.565 -15.328 -25.830 1.00 0.00 C ATOM 546 O ASP A 37 0.364 -15.412 -26.086 1.00 0.00 O ATOM 547 CB ASP A 37 3.219 -15.636 -27.682 1.00 0.00 C ATOM 548 CG ASP A 37 2.239 -16.533 -28.413 1.00 0.00 C ATOM 549 OD1 ASP A 37 1.622 -16.064 -29.392 1.00 0.00 O ATOM 550 OD2 ASP A 37 2.090 -17.704 -28.006 1.00 0.00 O ATOM 0 H ASP A 37 4.396 -14.302 -25.903 1.00 0.00 H new ATOM 0 HA ASP A 37 1.939 -13.934 -27.405 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.838 -15.111 -28.409 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.888 -16.249 -27.078 1.00 0.00 H new ATOM 555 N GLU A 38 2.109 -15.841 -24.730 1.00 0.00 N ATOM 556 CA GLU A 38 1.306 -16.549 -23.740 1.00 0.00 C ATOM 557 C GLU A 38 0.511 -15.568 -22.883 1.00 0.00 C ATOM 558 O GLU A 38 -0.604 -15.863 -22.454 1.00 0.00 O ATOM 559 CB GLU A 38 2.200 -17.414 -22.849 1.00 0.00 C ATOM 560 CG GLU A 38 1.434 -18.442 -22.034 1.00 0.00 C ATOM 561 CD GLU A 38 1.385 -19.800 -22.706 1.00 0.00 C ATOM 562 OE1 GLU A 38 1.331 -19.843 -23.953 1.00 0.00 O ATOM 563 OE2 GLU A 38 1.399 -20.820 -21.986 1.00 0.00 O ATOM 0 H GLU A 38 3.101 -15.779 -24.503 1.00 0.00 H new ATOM 0 HA GLU A 38 0.605 -17.192 -24.271 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.931 -17.929 -23.473 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.758 -16.768 -22.171 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.899 -18.543 -21.053 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.417 -18.085 -21.869 1.00 0.00 H new ATOM 570 N VAL A 39 1.095 -14.399 -22.636 1.00 0.00 N ATOM 571 CA VAL A 39 0.442 -13.374 -21.830 1.00 0.00 C ATOM 572 C VAL A 39 -0.765 -12.791 -22.555 1.00 0.00 C ATOM 573 O VAL A 39 -1.751 -12.405 -21.928 1.00 0.00 O ATOM 574 CB VAL A 39 1.416 -12.234 -21.478 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.768 -11.429 -22.720 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.819 -11.337 -20.404 1.00 0.00 C ATOM 0 H VAL A 39 2.018 -14.139 -22.982 1.00 0.00 H new ATOM 0 HA VAL A 39 0.111 -13.857 -20.911 1.00 0.00 H new ATOM 0 HB VAL A 39 2.334 -12.672 -21.086 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.457 -10.628 -22.451 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.239 -12.082 -23.455 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.861 -11.000 -23.145 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.520 -10.537 -20.167 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.114 -10.906 -20.767 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.623 -11.924 -19.507 1.00 0.00 H new ATOM 586 N GLN A 40 -0.681 -12.732 -23.881 1.00 0.00 N ATOM 587 CA GLN A 40 -1.767 -12.196 -24.692 1.00 0.00 C ATOM 588 C GLN A 40 -3.031 -13.035 -24.532 1.00 0.00 C ATOM 589 O GLN A 40 -4.139 -12.501 -24.471 1.00 0.00 O ATOM 590 CB GLN A 40 -1.357 -12.146 -26.164 1.00 0.00 C ATOM 591 CG GLN A 40 -2.532 -12.206 -27.126 1.00 0.00 C ATOM 592 CD GLN A 40 -2.100 -12.181 -28.579 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.061 -12.943 -28.900 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.692 -11.484 -29.403 1.00 0.00 N flip ATOM 0 H GLN A 40 0.128 -13.049 -24.415 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.978 -11.184 -24.347 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.796 -11.229 -26.345 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.684 -12.978 -26.373 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.105 -13.114 -26.937 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.197 -11.364 -26.934 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.486 -10.914 -29.112 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.389 -11.477 -30.377 1.00 0.00 H new ATOM 603 N ARG A 41 -2.857 -14.350 -24.465 1.00 0.00 N ATOM 604 CA ARG A 41 -3.984 -15.263 -24.314 1.00 0.00 C ATOM 605 C ARG A 41 -4.395 -15.382 -22.849 1.00 0.00 C ATOM 606 O ARG A 41 -5.515 -15.787 -22.539 1.00 0.00 O ATOM 607 CB ARG A 41 -3.627 -16.644 -24.867 1.00 0.00 C ATOM 608 CG ARG A 41 -2.374 -17.243 -24.250 1.00 0.00 C ATOM 609 CD ARG A 41 -2.038 -18.591 -24.868 1.00 0.00 C ATOM 610 NE ARG A 41 -2.833 -19.671 -24.290 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.816 -20.920 -24.743 1.00 0.00 C ATOM 612 NH1 ARG A 41 -2.047 -21.244 -25.774 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.568 -21.847 -24.165 1.00 0.00 N ATOM 0 H ARG A 41 -1.947 -14.808 -24.513 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.824 -14.859 -24.878 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.464 -17.321 -24.698 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.490 -16.570 -25.946 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.536 -16.559 -24.388 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.516 -17.359 -23.176 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.210 -18.550 -25.944 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.979 -18.803 -24.723 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.434 -19.455 -23.495 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.467 -20.534 -26.221 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.036 -22.203 -26.120 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.160 -21.602 -23.372 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.554 -22.805 -24.514 1.00 0.00 H new ATOM 627 N MET A 42 -3.481 -15.026 -21.952 1.00 0.00 N ATOM 628 CA MET A 42 -3.749 -15.092 -20.520 1.00 0.00 C ATOM 629 C MET A 42 -4.513 -13.858 -20.053 1.00 0.00 C ATOM 630 O MET A 42 -5.489 -13.965 -19.311 1.00 0.00 O ATOM 631 CB MET A 42 -2.439 -15.221 -19.740 1.00 0.00 C ATOM 632 CG MET A 42 -1.735 -16.551 -19.951 1.00 0.00 C ATOM 633 SD MET A 42 -1.945 -17.677 -18.558 1.00 0.00 S ATOM 634 CE MET A 42 -1.394 -19.219 -19.283 1.00 0.00 C ATOM 0 H MET A 42 -2.549 -14.689 -22.191 1.00 0.00 H new ATOM 0 HA MET A 42 -4.364 -15.972 -20.331 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.769 -14.414 -20.035 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.644 -15.092 -18.677 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.120 -17.022 -20.855 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.672 -16.373 -20.112 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.465 -20.015 -18.542 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.022 -19.463 -20.139 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.359 -19.118 -19.609 1.00 0.00 H new ATOM 644 N MET A 43 -4.064 -12.687 -20.492 1.00 0.00 N ATOM 645 CA MET A 43 -4.707 -11.433 -20.119 1.00 0.00 C ATOM 646 C MET A 43 -6.192 -11.458 -20.468 1.00 0.00 C ATOM 647 O MET A 43 -6.993 -10.748 -19.862 1.00 0.00 O ATOM 648 CB MET A 43 -4.026 -10.257 -20.822 1.00 0.00 C ATOM 649 CG MET A 43 -3.898 -10.439 -22.326 1.00 0.00 C ATOM 650 SD MET A 43 -4.677 -9.105 -23.256 1.00 0.00 S ATOM 651 CE MET A 43 -4.369 -9.640 -24.937 1.00 0.00 C ATOM 0 H MET A 43 -3.257 -12.580 -21.107 1.00 0.00 H new ATOM 0 HA MET A 43 -4.607 -11.310 -19.041 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.592 -9.347 -20.621 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.033 -10.115 -20.396 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.843 -10.495 -22.593 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.350 -11.389 -22.613 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.494 -8.797 -25.616 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.351 -10.022 -25.017 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.074 -10.428 -25.203 1.00 0.00 H new ATOM 661 N ALA A 44 -6.550 -12.281 -21.448 1.00 0.00 N ATOM 662 CA ALA A 44 -7.939 -12.400 -21.876 1.00 0.00 C ATOM 663 C ALA A 44 -8.792 -13.057 -20.796 1.00 0.00 C ATOM 664 O ALA A 44 -10.012 -12.905 -20.779 1.00 0.00 O ATOM 665 CB ALA A 44 -8.025 -13.189 -23.174 1.00 0.00 C ATOM 0 H ALA A 44 -5.898 -12.875 -21.960 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.328 -11.396 -22.048 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.067 -13.270 -23.482 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.456 -12.676 -23.950 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.613 -14.187 -23.021 1.00 0.00 H new ATOM 671 N GLU A 45 -8.140 -13.790 -19.898 1.00 0.00 N ATOM 672 CA GLU A 45 -8.840 -14.472 -18.817 1.00 0.00 C ATOM 673 C GLU A 45 -9.351 -13.472 -17.783 1.00 0.00 C ATOM 674 O GLU A 45 -10.499 -13.548 -17.345 1.00 0.00 O ATOM 675 CB GLU A 45 -7.918 -15.490 -18.144 1.00 0.00 C ATOM 676 CG GLU A 45 -7.417 -16.573 -19.085 1.00 0.00 C ATOM 677 CD GLU A 45 -7.027 -17.844 -18.357 1.00 0.00 C ATOM 678 OE1 GLU A 45 -7.732 -18.217 -17.396 1.00 0.00 O ATOM 679 OE2 GLU A 45 -6.017 -18.466 -18.747 1.00 0.00 O ATOM 0 H GLU A 45 -7.129 -13.926 -19.898 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.695 -14.995 -19.246 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.062 -14.966 -17.718 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.450 -15.958 -17.316 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.193 -16.801 -19.816 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.557 -16.198 -19.639 1.00 0.00 H new ATOM 686 N ILE A 46 -8.491 -12.535 -17.399 1.00 0.00 N ATOM 687 CA ILE A 46 -8.854 -11.520 -16.419 1.00 0.00 C ATOM 688 C ILE A 46 -9.863 -10.533 -16.997 1.00 0.00 C ATOM 689 O ILE A 46 -10.690 -9.980 -16.274 1.00 0.00 O ATOM 690 CB ILE A 46 -7.618 -10.744 -15.927 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.874 -10.123 -17.111 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.697 -11.661 -15.137 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.802 -9.138 -16.702 1.00 0.00 C ATOM 0 H ILE A 46 -7.537 -12.458 -17.752 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.304 -12.043 -15.575 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.950 -9.941 -15.269 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.419 -10.918 -17.701 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.593 -9.618 -17.757 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.828 -11.098 -14.796 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.232 -12.059 -14.275 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.370 -12.484 -15.773 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.317 -8.738 -17.592 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.254 -8.322 -16.137 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.062 -9.643 -16.081 1.00 0.00 H new ATOM 705 N ASP A 47 -9.790 -10.320 -18.307 1.00 0.00 N ATOM 706 CA ASP A 47 -10.698 -9.401 -18.984 1.00 0.00 C ATOM 707 C ASP A 47 -12.050 -10.060 -19.236 1.00 0.00 C ATOM 708 O ASP A 47 -12.169 -10.964 -20.064 1.00 0.00 O ATOM 709 CB ASP A 47 -10.090 -8.934 -20.308 1.00 0.00 C ATOM 710 CG ASP A 47 -10.834 -7.754 -20.900 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.560 -7.028 -20.057 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.757 -7.497 -22.101 1.00 0.00 O ATOM 0 H ASP A 47 -9.112 -10.771 -18.921 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.850 -8.537 -18.337 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.047 -8.660 -20.149 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.098 -9.759 -21.020 1.00 0.00 H new ATOM 717 N THR A 48 -13.070 -9.601 -18.517 1.00 0.00 N ATOM 718 CA THR A 48 -14.414 -10.145 -18.662 1.00 0.00 C ATOM 719 C THR A 48 -15.249 -9.301 -19.619 1.00 0.00 C ATOM 720 O THR A 48 -16.283 -9.748 -20.114 1.00 0.00 O ATOM 721 CB THR A 48 -15.136 -10.227 -17.304 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.324 -11.018 -17.428 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.496 -8.839 -16.798 1.00 0.00 C ATOM 0 H THR A 48 -12.990 -8.853 -17.828 1.00 0.00 H new ATOM 0 HA THR A 48 -14.306 -11.150 -19.069 1.00 0.00 H new ATOM 0 HB THR A 48 -14.462 -10.694 -16.586 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.626 -11.011 -18.360 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.005 -8.922 -15.838 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.588 -8.249 -16.677 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.154 -8.349 -17.516 1.00 0.00 H new ATOM 731 N ASP A 49 -14.793 -8.080 -19.874 1.00 0.00 N ATOM 732 CA ASP A 49 -15.497 -7.173 -20.774 1.00 0.00 C ATOM 733 C ASP A 49 -14.858 -7.176 -22.159 1.00 0.00 C ATOM 734 O ASP A 49 -15.291 -6.454 -23.055 1.00 0.00 O ATOM 735 CB ASP A 49 -15.500 -5.754 -20.203 1.00 0.00 C ATOM 736 CG ASP A 49 -14.895 -5.688 -18.814 1.00 0.00 C ATOM 737 OD1 ASP A 49 -15.636 -5.910 -17.834 1.00 0.00 O ATOM 738 OD2 ASP A 49 -13.682 -5.413 -18.708 1.00 0.00 O ATOM 0 H ASP A 49 -13.939 -7.695 -19.470 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.526 -7.521 -20.868 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.944 -5.096 -20.870 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.524 -5.381 -20.168 1.00 0.00 H new ATOM 743 N GLY A 50 -13.822 -7.994 -22.325 1.00 0.00 N ATOM 744 CA GLY A 50 -13.139 -8.074 -23.603 1.00 0.00 C ATOM 745 C GLY A 50 -12.818 -6.708 -24.176 1.00 0.00 C ATOM 746 O GLY A 50 -12.854 -6.513 -25.391 1.00 0.00 O ATOM 0 H GLY A 50 -13.444 -8.602 -21.598 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.215 -8.640 -23.483 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.760 -8.624 -24.310 1.00 0.00 H new ATOM 750 N ASP A 51 -12.505 -5.760 -23.300 1.00 0.00 N ATOM 751 CA ASP A 51 -12.177 -4.404 -23.726 1.00 0.00 C ATOM 752 C ASP A 51 -10.681 -4.139 -23.591 1.00 0.00 C ATOM 753 O ASP A 51 -9.952 -4.929 -22.993 1.00 0.00 O ATOM 754 CB ASP A 51 -12.964 -3.384 -22.902 1.00 0.00 C ATOM 755 CG ASP A 51 -12.402 -3.211 -21.504 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.122 -4.235 -20.846 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.242 -2.052 -21.069 1.00 0.00 O ATOM 0 H ASP A 51 -12.471 -5.905 -22.291 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.453 -4.303 -24.776 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.956 -2.422 -23.415 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.005 -3.701 -22.835 1.00 0.00 H new ATOM 762 N GLY A 52 -10.230 -3.022 -24.155 1.00 0.00 N ATOM 763 CA GLY A 52 -8.822 -2.674 -24.088 1.00 0.00 C ATOM 764 C GLY A 52 -8.463 -1.959 -22.801 1.00 0.00 C ATOM 765 O GLY A 52 -7.804 -0.918 -22.823 1.00 0.00 O ATOM 0 H GLY A 52 -10.814 -2.353 -24.657 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.222 -3.580 -24.176 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.567 -2.039 -24.936 1.00 0.00 H new ATOM 769 N PHE A 53 -8.896 -2.516 -21.675 1.00 0.00 N ATOM 770 CA PHE A 53 -8.618 -1.923 -20.372 1.00 0.00 C ATOM 771 C PHE A 53 -8.914 -2.913 -19.249 1.00 0.00 C ATOM 772 O PHE A 53 -9.812 -3.748 -19.364 1.00 0.00 O ATOM 773 CB PHE A 53 -9.449 -0.652 -20.178 1.00 0.00 C ATOM 774 CG PHE A 53 -8.806 0.578 -20.753 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.630 1.075 -20.216 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.377 1.235 -21.830 1.00 0.00 C ATOM 777 CE1 PHE A 53 -7.036 2.207 -20.742 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.788 2.368 -22.361 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.615 2.854 -21.816 1.00 0.00 C ATOM 0 H PHE A 53 -9.441 -3.377 -21.638 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.559 -1.666 -20.337 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.426 -0.792 -20.641 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.620 -0.499 -19.113 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.172 0.573 -19.377 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.293 0.858 -22.260 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.120 2.585 -20.313 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.244 2.872 -23.200 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.152 3.738 -22.229 1.00 0.00 H new ATOM 789 N ILE A 54 -8.152 -2.814 -18.165 1.00 0.00 N ATOM 790 CA ILE A 54 -8.333 -3.700 -17.022 1.00 0.00 C ATOM 791 C ILE A 54 -8.208 -2.935 -15.709 1.00 0.00 C ATOM 792 O ILE A 54 -7.307 -2.112 -15.541 1.00 0.00 O ATOM 793 CB ILE A 54 -7.308 -4.849 -17.033 1.00 0.00 C ATOM 794 CG1 ILE A 54 -5.896 -4.300 -17.246 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.658 -5.860 -18.114 1.00 0.00 C ATOM 796 CD1 ILE A 54 -4.804 -5.271 -16.853 1.00 0.00 C ATOM 0 H ILE A 54 -7.404 -2.130 -18.054 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.336 -4.118 -17.102 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.339 -5.354 -16.067 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.773 -4.033 -18.296 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.781 -3.383 -16.668 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.924 -6.666 -18.109 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.649 -6.270 -17.921 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.651 -5.369 -19.087 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.830 -4.815 -17.031 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.901 -5.519 -15.796 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.893 -6.180 -17.449 1.00 0.00 H new ATOM 808 N ASP A 55 -9.115 -3.213 -14.780 1.00 0.00 N ATOM 809 CA ASP A 55 -9.105 -2.553 -13.479 1.00 0.00 C ATOM 810 C ASP A 55 -8.215 -3.306 -12.495 1.00 0.00 C ATOM 811 O ASP A 55 -7.708 -4.385 -12.801 1.00 0.00 O ATOM 812 CB ASP A 55 -10.527 -2.451 -12.924 1.00 0.00 C ATOM 813 CG ASP A 55 -11.566 -2.295 -14.018 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.844 -3.290 -14.719 1.00 0.00 O ATOM 815 OD2 ASP A 55 -12.100 -1.177 -14.172 1.00 0.00 O ATOM 0 H ASP A 55 -9.867 -3.891 -14.903 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.702 -1.549 -13.611 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.751 -3.343 -12.339 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.589 -1.601 -12.245 1.00 0.00 H new ATOM 820 N PHE A 56 -8.028 -2.728 -11.313 1.00 0.00 N ATOM 821 CA PHE A 56 -7.197 -3.342 -10.284 1.00 0.00 C ATOM 822 C PHE A 56 -7.585 -4.802 -10.072 1.00 0.00 C ATOM 823 O PHE A 56 -6.727 -5.664 -9.886 1.00 0.00 O ATOM 824 CB PHE A 56 -7.324 -2.572 -8.969 1.00 0.00 C ATOM 825 CG PHE A 56 -6.084 -2.623 -8.122 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.857 -2.246 -8.643 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.146 -3.049 -6.805 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.714 -2.292 -7.867 1.00 0.00 C ATOM 829 CE2 PHE A 56 -5.007 -3.096 -6.024 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.789 -2.718 -6.556 1.00 0.00 C ATOM 0 H PHE A 56 -8.441 -1.835 -11.044 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.160 -3.305 -10.619 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.562 -1.531 -9.188 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.160 -2.977 -8.399 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.793 -1.912 -9.668 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.095 -3.348 -6.384 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.764 -1.995 -8.286 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.069 -3.428 -4.998 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.898 -2.756 -5.947 1.00 0.00 H new ATOM 840 N ASN A 57 -8.887 -5.072 -10.100 1.00 0.00 N ATOM 841 CA ASN A 57 -9.390 -6.428 -9.909 1.00 0.00 C ATOM 842 C ASN A 57 -8.992 -7.325 -11.076 1.00 0.00 C ATOM 843 O ASN A 57 -8.649 -8.491 -10.886 1.00 0.00 O ATOM 844 CB ASN A 57 -10.913 -6.412 -9.759 1.00 0.00 C ATOM 845 CG ASN A 57 -11.371 -7.016 -8.446 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.247 -6.474 -7.772 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.779 -8.146 -8.076 1.00 0.00 N ATOM 0 H ASN A 57 -9.612 -4.371 -10.253 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.946 -6.829 -8.998 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.271 -5.385 -9.828 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.363 -6.962 -10.585 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.046 -8.599 -7.202 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.057 -8.561 -8.666 1.00 0.00 H new ATOM 854 N GLU A 58 -9.041 -6.773 -12.284 1.00 0.00 N ATOM 855 CA GLU A 58 -8.686 -7.524 -13.482 1.00 0.00 C ATOM 856 C GLU A 58 -7.193 -7.837 -13.505 1.00 0.00 C ATOM 857 O GLU A 58 -6.792 -8.999 -13.584 1.00 0.00 O ATOM 858 CB GLU A 58 -9.073 -6.738 -14.737 1.00 0.00 C ATOM 859 CG GLU A 58 -10.563 -6.756 -15.032 1.00 0.00 C ATOM 860 CD GLU A 58 -10.896 -6.182 -16.395 1.00 0.00 C ATOM 861 OE1 GLU A 58 -10.304 -6.644 -17.393 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.746 -5.270 -16.464 1.00 0.00 O ATOM 0 H GLU A 58 -9.323 -5.808 -12.459 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.237 -8.465 -13.467 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.746 -5.704 -14.623 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.537 -7.149 -15.592 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.928 -7.781 -14.975 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.088 -6.187 -14.265 1.00 0.00 H new ATOM 869 N PHE A 59 -6.374 -6.793 -13.436 1.00 0.00 N ATOM 870 CA PHE A 59 -4.925 -6.956 -13.450 1.00 0.00 C ATOM 871 C PHE A 59 -4.472 -7.898 -12.339 1.00 0.00 C ATOM 872 O PHE A 59 -3.564 -8.707 -12.528 1.00 0.00 O ATOM 873 CB PHE A 59 -4.236 -5.598 -13.295 1.00 0.00 C ATOM 874 CG PHE A 59 -2.781 -5.618 -13.666 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.362 -6.208 -14.847 1.00 0.00 C ATOM 876 CD2 PHE A 59 -1.832 -5.047 -12.833 1.00 0.00 C ATOM 877 CE1 PHE A 59 -1.023 -6.227 -15.192 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.493 -5.063 -13.172 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.088 -5.655 -14.353 1.00 0.00 C ATOM 0 H PHE A 59 -6.689 -5.825 -13.370 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.643 -7.392 -14.409 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.751 -4.865 -13.916 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.335 -5.265 -12.262 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.089 -6.658 -15.506 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.143 -4.584 -11.908 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.709 -6.689 -16.117 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.236 -4.613 -12.515 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.959 -5.670 -14.619 1.00 0.00 H new ATOM 889 N ILE A 60 -5.112 -7.786 -11.180 1.00 0.00 N ATOM 890 CA ILE A 60 -4.776 -8.628 -10.038 1.00 0.00 C ATOM 891 C ILE A 60 -5.105 -10.090 -10.317 1.00 0.00 C ATOM 892 O ILE A 60 -4.306 -10.982 -10.034 1.00 0.00 O ATOM 893 CB ILE A 60 -5.524 -8.179 -8.768 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.842 -6.954 -8.155 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.586 -9.317 -7.760 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.542 -7.275 -7.451 1.00 0.00 C ATOM 0 H ILE A 60 -5.866 -7.121 -11.007 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.703 -8.524 -9.875 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.543 -7.906 -9.041 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.649 -6.224 -8.941 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.524 -6.486 -7.445 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.117 -8.985 -6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.111 -10.165 -8.200 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.574 -9.618 -7.488 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.115 -6.360 -7.041 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.731 -7.981 -6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.843 -7.716 -8.162 1.00 0.00 H new ATOM 908 N SER A 61 -6.287 -10.329 -10.876 1.00 0.00 N ATOM 909 CA SER A 61 -6.724 -11.684 -11.193 1.00 0.00 C ATOM 910 C SER A 61 -5.645 -12.434 -11.968 1.00 0.00 C ATOM 911 O SER A 61 -5.562 -13.661 -11.909 1.00 0.00 O ATOM 912 CB SER A 61 -8.020 -11.648 -12.005 1.00 0.00 C ATOM 913 OG SER A 61 -9.147 -11.499 -11.159 1.00 0.00 O ATOM 0 H SER A 61 -6.960 -9.602 -11.119 1.00 0.00 H new ATOM 0 HA SER A 61 -6.906 -12.210 -10.256 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.984 -10.823 -12.717 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.115 -12.566 -12.585 1.00 0.00 H new ATOM 0 HG SER A 61 -9.227 -10.562 -10.882 1.00 0.00 H new ATOM 919 N PHE A 62 -4.821 -11.688 -12.697 1.00 0.00 N ATOM 920 CA PHE A 62 -3.748 -12.282 -13.485 1.00 0.00 C ATOM 921 C PHE A 62 -2.661 -12.854 -12.581 1.00 0.00 C ATOM 922 O PHE A 62 -2.117 -13.927 -12.848 1.00 0.00 O ATOM 923 CB PHE A 62 -3.145 -11.241 -14.430 1.00 0.00 C ATOM 924 CG PHE A 62 -2.398 -11.842 -15.587 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.291 -12.646 -15.370 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.803 -11.603 -16.890 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.601 -13.200 -16.432 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.118 -12.154 -17.956 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.016 -12.954 -17.727 1.00 0.00 C ATOM 0 H PHE A 62 -4.876 -10.671 -12.758 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.171 -13.096 -14.074 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.943 -10.605 -14.814 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.469 -10.598 -13.866 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.963 -12.842 -14.360 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.665 -10.978 -17.075 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.261 -13.824 -16.250 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.444 -11.959 -18.967 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.479 -13.387 -18.558 1.00 0.00 H new ATOM 939 N CYS A 63 -2.349 -12.132 -11.511 1.00 0.00 N ATOM 940 CA CYS A 63 -1.326 -12.566 -10.566 1.00 0.00 C ATOM 941 C CYS A 63 -1.874 -13.631 -9.622 1.00 0.00 C ATOM 942 O CYS A 63 -1.218 -14.638 -9.360 1.00 0.00 O ATOM 943 CB CYS A 63 -0.805 -11.373 -9.762 1.00 0.00 C ATOM 944 SG CYS A 63 0.537 -11.781 -8.621 1.00 0.00 S ATOM 0 H CYS A 63 -2.790 -11.243 -11.276 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.503 -12.999 -11.134 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.458 -10.606 -10.454 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.631 -10.942 -9.196 1.00 0.00 H new ATOM 0 HG CYS A 63 1.002 -10.689 -8.090 1.00 0.00 H new ATOM 950 N ASN A 64 -3.080 -13.400 -9.114 1.00 0.00 N ATOM 951 CA ASN A 64 -3.715 -14.339 -8.197 1.00 0.00 C ATOM 952 C ASN A 64 -3.853 -15.717 -8.838 1.00 0.00 C ATOM 953 O ASN A 64 -3.957 -16.728 -8.144 1.00 0.00 O ATOM 954 CB ASN A 64 -5.092 -13.820 -7.776 1.00 0.00 C ATOM 955 CG ASN A 64 -5.089 -13.247 -6.372 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.584 -13.871 -5.434 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.531 -12.051 -6.223 1.00 0.00 N ATOM 0 H ASN A 64 -3.637 -12.571 -9.322 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.082 -14.430 -7.314 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.418 -13.053 -8.478 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.816 -14.632 -7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.501 -11.613 -5.302 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.133 -11.570 -7.029 1.00 0.00 H new ATOM 964 N ALA A 65 -3.851 -15.748 -10.166 1.00 0.00 N ATOM 965 CA ALA A 65 -3.973 -17.001 -10.901 1.00 0.00 C ATOM 966 C ALA A 65 -2.634 -17.726 -10.975 1.00 0.00 C ATOM 967 O ALA A 65 -2.580 -18.923 -11.254 1.00 0.00 O ATOM 968 CB ALA A 65 -4.513 -16.743 -12.300 1.00 0.00 C ATOM 0 H ALA A 65 -3.766 -14.920 -10.755 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.674 -17.640 -10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.599 -17.688 -12.837 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.495 -16.275 -12.230 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.833 -16.081 -12.836 1.00 0.00 H new ATOM 974 N ASN A 66 -1.554 -16.993 -10.723 1.00 0.00 N ATOM 975 CA ASN A 66 -0.214 -17.567 -10.763 1.00 0.00 C ATOM 976 C ASN A 66 0.000 -18.361 -12.047 1.00 0.00 C ATOM 977 O ASN A 66 0.352 -19.541 -12.026 1.00 0.00 O ATOM 978 CB ASN A 66 0.013 -18.469 -9.548 1.00 0.00 C ATOM 979 CG ASN A 66 0.387 -17.683 -8.306 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.562 -17.580 -7.954 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.614 -17.126 -7.635 1.00 0.00 N ATOM 0 H ASN A 66 -1.581 -16.001 -10.489 1.00 0.00 H new ATOM 0 HA ASN A 66 0.506 -16.749 -10.739 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.892 -19.044 -9.352 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.803 -19.185 -9.773 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.424 -16.586 -6.791 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.573 -17.238 -7.964 1.00 0.00 H new ATOM 988 N PRO A 67 -0.217 -17.701 -13.195 1.00 0.00 N ATOM 989 CA PRO A 67 -0.053 -18.325 -14.511 1.00 0.00 C ATOM 990 C PRO A 67 1.409 -18.612 -14.838 1.00 0.00 C ATOM 991 O PRO A 67 1.720 -19.567 -15.550 1.00 0.00 O ATOM 992 CB PRO A 67 -0.621 -17.279 -15.473 1.00 0.00 C ATOM 993 CG PRO A 67 -0.467 -15.982 -14.756 1.00 0.00 C ATOM 994 CD PRO A 67 -0.638 -16.294 -13.295 1.00 0.00 C ATOM 0 HA PRO A 67 -0.552 -19.292 -14.569 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.079 -17.275 -16.419 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.667 -17.481 -15.705 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.512 -15.543 -14.949 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.212 -15.260 -15.091 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.023 -15.645 -12.671 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.671 -16.160 -12.974 1.00 0.00 H new ATOM 1002 N GLY A 68 2.303 -17.780 -14.313 1.00 0.00 N ATOM 1003 CA GLY A 68 3.721 -17.962 -14.561 1.00 0.00 C ATOM 1004 C GLY A 68 4.313 -16.840 -15.391 1.00 0.00 C ATOM 1005 O GLY A 68 5.485 -16.889 -15.768 1.00 0.00 O ATOM 0 H GLY A 68 2.070 -16.983 -13.720 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.248 -18.023 -13.609 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.878 -18.911 -15.074 1.00 0.00 H new ATOM 1009 N LEU A 69 3.503 -15.828 -15.679 1.00 0.00 N ATOM 1010 CA LEU A 69 3.952 -14.689 -16.472 1.00 0.00 C ATOM 1011 C LEU A 69 4.281 -13.498 -15.577 1.00 0.00 C ATOM 1012 O LEU A 69 5.400 -12.988 -15.592 1.00 0.00 O ATOM 1013 CB LEU A 69 2.881 -14.296 -17.490 1.00 0.00 C ATOM 1014 CG LEU A 69 2.401 -15.409 -18.423 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.542 -16.361 -18.747 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.235 -16.162 -17.800 1.00 0.00 C ATOM 0 H LEU A 69 2.531 -15.773 -15.375 1.00 0.00 H new ATOM 0 HA LEU A 69 4.858 -14.982 -17.003 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.019 -13.906 -16.948 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.270 -13.480 -18.100 1.00 0.00 H new ATOM 0 HG LEU A 69 2.058 -14.956 -19.353 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.183 -17.147 -19.412 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.347 -15.812 -19.236 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.916 -16.808 -17.826 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.907 -16.950 -18.478 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.551 -16.604 -16.855 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.411 -15.472 -17.620 1.00 0.00 H new ATOM 1028 N MET A 70 3.297 -13.062 -14.796 1.00 0.00 N ATOM 1029 CA MET A 70 3.483 -11.933 -13.892 1.00 0.00 C ATOM 1030 C MET A 70 4.586 -12.224 -12.879 1.00 0.00 C ATOM 1031 O MET A 70 5.143 -11.309 -12.273 1.00 0.00 O ATOM 1032 CB MET A 70 2.176 -11.616 -13.162 1.00 0.00 C ATOM 1033 CG MET A 70 1.109 -11.013 -14.062 1.00 0.00 C ATOM 1034 SD MET A 70 1.220 -9.216 -14.162 1.00 0.00 S ATOM 1035 CE MET A 70 2.102 -9.017 -15.709 1.00 0.00 C ATOM 0 H MET A 70 2.364 -13.473 -14.771 1.00 0.00 H new ATOM 0 HA MET A 70 3.778 -11.068 -14.487 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.788 -12.531 -12.715 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.384 -10.925 -12.345 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.202 -11.435 -15.063 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.124 -11.292 -13.689 1.00 0.00 H new ATOM 0 HE1 MET A 70 2.124 -7.962 -15.982 1.00 0.00 H new ATOM 0 HE2 MET A 70 3.122 -9.384 -15.596 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.597 -9.584 -16.491 1.00 0.00 H new ATOM 1045 N LYS A 71 4.897 -13.503 -12.701 1.00 0.00 N ATOM 1046 CA LYS A 71 5.935 -13.915 -11.763 1.00 0.00 C ATOM 1047 C LYS A 71 7.273 -13.273 -12.114 1.00 0.00 C ATOM 1048 O LYS A 71 7.952 -12.719 -11.250 1.00 0.00 O ATOM 1049 CB LYS A 71 6.073 -15.439 -11.761 1.00 0.00 C ATOM 1050 CG LYS A 71 4.921 -16.154 -11.076 1.00 0.00 C ATOM 1051 CD LYS A 71 5.396 -17.392 -10.333 1.00 0.00 C ATOM 1052 CE LYS A 71 4.961 -18.667 -11.040 1.00 0.00 C ATOM 1053 NZ LYS A 71 4.924 -19.831 -10.111 1.00 0.00 N ATOM 0 H LYS A 71 4.445 -14.273 -13.194 1.00 0.00 H new ATOM 0 HA LYS A 71 5.643 -13.581 -10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.147 -15.790 -12.790 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.005 -15.710 -11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.433 -15.474 -10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.175 -16.438 -11.818 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.483 -17.373 -10.250 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.998 -17.384 -9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.974 -18.521 -11.478 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.646 -18.879 -11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.623 -20.680 -10.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.872 -19.987 -9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.251 -19.640 -9.341 1.00 0.00 H new ATOM 1067 N ASP A 72 7.644 -13.350 -13.388 1.00 0.00 N ATOM 1068 CA ASP A 72 8.900 -12.773 -13.854 1.00 0.00 C ATOM 1069 C ASP A 72 8.736 -11.288 -14.158 1.00 0.00 C ATOM 1070 O ASP A 72 9.701 -10.525 -14.118 1.00 0.00 O ATOM 1071 CB ASP A 72 9.392 -13.511 -15.100 1.00 0.00 C ATOM 1072 CG ASP A 72 10.282 -14.691 -14.761 1.00 0.00 C ATOM 1073 OD1 ASP A 72 9.946 -15.434 -13.816 1.00 0.00 O ATOM 1074 OD2 ASP A 72 11.314 -14.870 -15.440 1.00 0.00 O ATOM 0 H ASP A 72 7.093 -13.806 -14.116 1.00 0.00 H new ATOM 0 HA ASP A 72 9.639 -12.883 -13.060 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.534 -13.860 -15.674 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.941 -12.817 -15.737 1.00 0.00 H new ATOM 1079 N VAL A 73 7.507 -10.883 -14.464 1.00 0.00 N ATOM 1080 CA VAL A 73 7.216 -9.489 -14.776 1.00 0.00 C ATOM 1081 C VAL A 73 7.336 -8.612 -13.535 1.00 0.00 C ATOM 1082 O VAL A 73 8.023 -7.591 -13.547 1.00 0.00 O ATOM 1083 CB VAL A 73 5.804 -9.329 -15.369 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.555 -7.884 -15.774 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.616 -10.263 -16.555 1.00 0.00 C ATOM 0 H VAL A 73 6.697 -11.501 -14.502 1.00 0.00 H new ATOM 0 HA VAL A 73 7.951 -9.170 -15.516 1.00 0.00 H new ATOM 0 HB VAL A 73 5.075 -9.598 -14.604 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.552 -7.791 -16.191 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.646 -7.240 -14.899 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.288 -7.584 -16.523 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.613 -10.137 -16.962 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.352 -10.027 -17.324 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.749 -11.295 -16.230 1.00 0.00 H new ATOM 1095 N ALA A 74 6.662 -9.018 -12.463 1.00 0.00 N ATOM 1096 CA ALA A 74 6.695 -8.270 -11.212 1.00 0.00 C ATOM 1097 C ALA A 74 8.108 -8.218 -10.641 1.00 0.00 C ATOM 1098 O ALA A 74 8.410 -7.393 -9.779 1.00 0.00 O ATOM 1099 CB ALA A 74 5.739 -8.888 -10.203 1.00 0.00 C ATOM 0 H ALA A 74 6.087 -9.860 -12.436 1.00 0.00 H new ATOM 0 HA ALA A 74 6.377 -7.248 -11.419 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.774 -8.320 -9.274 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.725 -8.868 -10.603 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.032 -9.920 -10.009 1.00 0.00 H new ATOM 1105 N LYS A 75 8.971 -9.104 -11.127 1.00 0.00 N ATOM 1106 CA LYS A 75 10.353 -9.158 -10.666 1.00 0.00 C ATOM 1107 C LYS A 75 11.139 -7.947 -11.157 1.00 0.00 C ATOM 1108 O LYS A 75 12.111 -7.528 -10.528 1.00 0.00 O ATOM 1109 CB LYS A 75 11.024 -10.445 -11.151 1.00 0.00 C ATOM 1110 CG LYS A 75 11.956 -10.237 -12.333 1.00 0.00 C ATOM 1111 CD LYS A 75 12.271 -11.549 -13.032 1.00 0.00 C ATOM 1112 CE LYS A 75 12.894 -12.555 -12.076 1.00 0.00 C ATOM 1113 NZ LYS A 75 14.137 -13.155 -12.635 1.00 0.00 N ATOM 0 H LYS A 75 8.737 -9.795 -11.840 1.00 0.00 H new ATOM 0 HA LYS A 75 10.346 -9.147 -9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.588 -10.884 -10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.253 -11.164 -11.429 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.498 -9.547 -13.042 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.882 -9.775 -11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.357 -11.966 -13.455 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.952 -11.365 -13.863 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.121 -12.064 -11.130 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.175 -13.345 -11.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.531 -13.835 -11.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.916 -13.645 -13.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.833 -12.404 -12.817 1.00 0.00 H new ATOM 1127 N VAL A 76 10.711 -7.386 -12.283 1.00 0.00 N ATOM 1128 CA VAL A 76 11.373 -6.221 -12.857 1.00 0.00 C ATOM 1129 C VAL A 76 10.547 -4.957 -12.640 1.00 0.00 C ATOM 1130 O VAL A 76 10.625 -4.009 -13.422 1.00 0.00 O ATOM 1131 CB VAL A 76 11.624 -6.404 -14.366 1.00 0.00 C ATOM 1132 CG1 VAL A 76 12.699 -7.452 -14.605 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.333 -6.779 -15.079 1.00 0.00 C ATOM 0 H VAL A 76 9.908 -7.720 -12.816 1.00 0.00 H new ATOM 0 HA VAL A 76 12.331 -6.118 -12.347 1.00 0.00 H new ATOM 0 HB VAL A 76 11.976 -5.457 -14.776 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.863 -7.568 -15.676 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.627 -7.137 -14.128 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.379 -8.404 -14.182 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.529 -6.904 -16.144 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.949 -7.713 -14.668 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.596 -5.989 -14.936 1.00 0.00 H new ATOM 1143 N PHE A 77 9.755 -4.951 -11.573 1.00 0.00 N ATOM 1144 CA PHE A 77 8.914 -3.803 -11.252 1.00 0.00 C ATOM 1145 C PHE A 77 8.211 -4.002 -9.913 1.00 0.00 C ATOM 1146 O PHE A 77 7.261 -4.777 -9.808 1.00 0.00 O ATOM 1147 CB PHE A 77 7.878 -3.579 -12.356 1.00 0.00 C ATOM 1148 CG PHE A 77 7.606 -2.129 -12.637 1.00 0.00 C ATOM 1149 CD1 PHE A 77 6.629 -1.445 -11.931 1.00 0.00 C ATOM 1150 CD2 PHE A 77 8.325 -1.450 -13.606 1.00 0.00 C ATOM 1151 CE1 PHE A 77 6.376 -0.111 -12.187 1.00 0.00 C ATOM 1152 CE2 PHE A 77 8.077 -0.116 -13.867 1.00 0.00 C ATOM 1153 CZ PHE A 77 7.101 0.555 -13.156 1.00 0.00 C ATOM 0 H PHE A 77 9.678 -5.727 -10.916 1.00 0.00 H new ATOM 0 HA PHE A 77 9.554 -2.924 -11.180 1.00 0.00 H new ATOM 0 HB2 PHE A 77 8.224 -4.060 -13.271 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.946 -4.067 -12.073 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.059 -1.961 -11.172 1.00 0.00 H new ATOM 0 HD2 PHE A 77 9.089 -1.970 -14.165 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.612 0.411 -11.630 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.645 0.401 -14.626 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.905 1.598 -13.357 1.00 0.00 H new