USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=16 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 Single : A 4 MET CE :methyl -150:sc= -0.315 (180deg=-2.04) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= -0.14 (180deg=-0.14) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= -0.16 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 50:sc= -0.98 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -150:sc= -0.165 USER MOD Single : A 34 THR OG1 : rot -44:sc= 0.91 USER MOD Single : A 35 SER OG : rot -154:sc= -0.639 USER MOD Single : A 40 GLN :FLIP amide:sc=-0.00371 F(o=-0.56,f=-0.0037) USER MOD Single : A 42 MET CE :methyl -111:sc= -1.05 (180deg=-3.76!) USER MOD Single : A 43 MET CE :methyl -149:sc= -2.5! (180deg=-4.37!) USER MOD Single : A 48 THR OG1 : rot -26:sc= 0.0764 USER MOD Single : A 57 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.079) USER MOD Single : A 61 SER OG : rot 80:sc= 0.288 USER MOD Single : A 63 CYS SG : rot 158:sc= 0.44 USER MOD Single : A 64 ASN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0238 X(o=-0.024,f=-0.5) USER MOD Single : A 70 MET CE :methyl 171:sc= -0.606 (180deg=-0.716) USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.254) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 3.037 -4.838 -4.743 1.00 0.00 N ATOM 24 CA ASP A 3 3.909 -4.807 -5.912 1.00 0.00 C ATOM 25 C ASP A 3 3.095 -4.644 -7.192 1.00 0.00 C ATOM 26 O ASP A 3 3.460 -3.871 -8.078 1.00 0.00 O ATOM 27 CB ASP A 3 4.746 -6.084 -5.984 1.00 0.00 C ATOM 28 CG ASP A 3 5.756 -6.179 -4.858 1.00 0.00 C ATOM 29 OD1 ASP A 3 5.540 -5.532 -3.812 1.00 0.00 O ATOM 30 OD2 ASP A 3 6.764 -6.898 -5.023 1.00 0.00 O ATOM 0 HA ASP A 3 4.576 -3.950 -5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.085 -6.950 -5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.268 -6.119 -6.940 1.00 0.00 H new ATOM 35 N MET A 4 1.991 -5.379 -7.283 1.00 0.00 N ATOM 36 CA MET A 4 1.125 -5.316 -8.455 1.00 0.00 C ATOM 37 C MET A 4 0.633 -3.892 -8.691 1.00 0.00 C ATOM 38 O MET A 4 0.265 -3.531 -9.808 1.00 0.00 O ATOM 39 CB MET A 4 -0.067 -6.259 -8.286 1.00 0.00 C ATOM 40 CG MET A 4 0.313 -7.630 -7.749 1.00 0.00 C ATOM 41 SD MET A 4 1.675 -8.380 -8.662 1.00 0.00 S ATOM 42 CE MET A 4 1.086 -8.215 -10.345 1.00 0.00 C ATOM 0 H MET A 4 1.675 -6.025 -6.559 1.00 0.00 H new ATOM 0 HA MET A 4 1.706 -5.629 -9.323 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.789 -5.801 -7.610 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.563 -6.380 -9.249 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.590 -7.540 -6.699 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.555 -8.287 -7.794 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.478 -9.033 -10.950 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.003 -8.247 -10.354 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.424 -7.264 -10.757 1.00 0.00 H new ATOM 52 N GLU A 5 0.629 -3.088 -7.632 1.00 0.00 N ATOM 53 CA GLU A 5 0.180 -1.704 -7.726 1.00 0.00 C ATOM 54 C GLU A 5 1.102 -0.894 -8.633 1.00 0.00 C ATOM 55 O GLU A 5 0.640 -0.130 -9.481 1.00 0.00 O ATOM 56 CB GLU A 5 0.126 -1.067 -6.336 1.00 0.00 C ATOM 57 CG GLU A 5 -0.927 0.020 -6.205 1.00 0.00 C ATOM 58 CD GLU A 5 -1.720 -0.087 -4.917 1.00 0.00 C ATOM 59 OE1 GLU A 5 -1.260 0.457 -3.891 1.00 0.00 O ATOM 60 OE2 GLU A 5 -2.799 -0.715 -4.934 1.00 0.00 O ATOM 0 H GLU A 5 0.931 -3.371 -6.700 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.821 -1.702 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.072 -1.844 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.103 -0.645 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.444 0.996 -6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.609 -0.037 -7.053 1.00 0.00 H new ATOM 67 N ARG A 6 2.406 -1.067 -8.448 1.00 0.00 N ATOM 68 CA ARG A 6 3.393 -0.351 -9.248 1.00 0.00 C ATOM 69 C ARG A 6 3.187 -0.623 -10.736 1.00 0.00 C ATOM 70 O ARG A 6 2.948 0.298 -11.517 1.00 0.00 O ATOM 71 CB ARG A 6 4.808 -0.759 -8.836 1.00 0.00 C ATOM 72 CG ARG A 6 5.444 0.184 -7.827 1.00 0.00 C ATOM 73 CD ARG A 6 6.028 1.414 -8.505 1.00 0.00 C ATOM 74 NE ARG A 6 6.924 2.153 -7.620 1.00 0.00 N ATOM 75 CZ ARG A 6 6.507 2.867 -6.581 1.00 0.00 C ATOM 76 NH1 ARG A 6 5.214 2.938 -6.298 1.00 0.00 N ATOM 77 NH2 ARG A 6 7.384 3.512 -5.823 1.00 0.00 N ATOM 0 H ARG A 6 2.804 -1.697 -7.751 1.00 0.00 H new ATOM 0 HA ARG A 6 3.263 0.716 -9.069 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.779 -1.764 -8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.437 -0.805 -9.725 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.698 0.491 -7.094 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.229 -0.340 -7.282 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.571 1.111 -9.400 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.218 2.068 -8.830 1.00 0.00 H new ATOM 0 HE ARG A 6 7.925 2.119 -7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.537 2.444 -6.879 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.896 3.487 -5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.380 3.460 -6.038 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.063 4.060 -5.025 1.00 0.00 H new ATOM 91 N ILE A 7 3.283 -1.891 -11.119 1.00 0.00 N ATOM 92 CA ILE A 7 3.107 -2.283 -12.512 1.00 0.00 C ATOM 93 C ILE A 7 1.782 -1.767 -13.065 1.00 0.00 C ATOM 94 O ILE A 7 1.731 -1.210 -14.162 1.00 0.00 O ATOM 95 CB ILE A 7 3.157 -3.814 -12.677 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.395 -4.383 -11.981 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.152 -4.188 -14.152 1.00 0.00 C ATOM 98 CD1 ILE A 7 4.095 -5.030 -10.647 1.00 0.00 C ATOM 0 H ILE A 7 3.482 -2.665 -10.485 1.00 0.00 H new ATOM 0 HA ILE A 7 3.930 -1.838 -13.071 1.00 0.00 H new ATOM 0 HB ILE A 7 2.271 -4.245 -12.210 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.864 -5.118 -12.635 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.119 -3.582 -11.832 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.188 -5.273 -14.252 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.243 -3.810 -14.620 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.022 -3.750 -14.641 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.019 -5.411 -10.211 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.654 -4.293 -9.976 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.395 -5.853 -10.791 1.00 0.00 H new ATOM 110 N PHE A 8 0.714 -1.955 -12.298 1.00 0.00 N ATOM 111 CA PHE A 8 -0.612 -1.507 -12.711 1.00 0.00 C ATOM 112 C PHE A 8 -0.593 -0.029 -13.091 1.00 0.00 C ATOM 113 O PHE A 8 -1.234 0.384 -14.057 1.00 0.00 O ATOM 114 CB PHE A 8 -1.625 -1.744 -11.589 1.00 0.00 C ATOM 115 CG PHE A 8 -2.977 -1.153 -11.869 1.00 0.00 C ATOM 116 CD1 PHE A 8 -3.946 -1.889 -12.532 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.280 0.139 -11.469 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.192 -1.349 -12.790 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.524 0.684 -11.725 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.480 -0.060 -12.387 1.00 0.00 C ATOM 0 H PHE A 8 0.740 -2.414 -11.388 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.908 -2.085 -13.587 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.732 -2.817 -11.428 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.236 -1.320 -10.663 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.725 -2.897 -12.851 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.536 0.726 -10.952 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.939 -1.934 -13.306 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.748 1.692 -11.407 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.452 0.365 -12.589 1.00 0.00 H new ATOM 130 N LYS A 9 0.147 0.763 -12.322 1.00 0.00 N ATOM 131 CA LYS A 9 0.251 2.195 -12.577 1.00 0.00 C ATOM 132 C LYS A 9 1.251 2.478 -13.693 1.00 0.00 C ATOM 133 O LYS A 9 1.225 3.545 -14.307 1.00 0.00 O ATOM 134 CB LYS A 9 0.672 2.931 -11.302 1.00 0.00 C ATOM 135 CG LYS A 9 -0.447 3.076 -10.286 1.00 0.00 C ATOM 136 CD LYS A 9 0.042 3.735 -9.007 1.00 0.00 C ATOM 137 CE LYS A 9 -0.674 3.180 -7.785 1.00 0.00 C ATOM 138 NZ LYS A 9 0.032 3.530 -6.522 1.00 0.00 N ATOM 0 H LYS A 9 0.683 0.438 -11.518 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.729 2.555 -12.891 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.503 2.396 -10.841 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.040 3.922 -11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.255 3.668 -10.716 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.860 2.094 -10.055 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.116 3.578 -8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.119 4.811 -9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.691 3.570 -7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.750 2.096 -7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.487 3.134 -5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.995 3.137 -6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.083 4.564 -6.428 1.00 0.00 H new ATOM 152 N ARG A 10 2.130 1.516 -13.952 1.00 0.00 N ATOM 153 CA ARG A 10 3.138 1.662 -14.995 1.00 0.00 C ATOM 154 C ARG A 10 2.492 2.030 -16.328 1.00 0.00 C ATOM 155 O ARG A 10 2.911 2.979 -16.991 1.00 0.00 O ATOM 156 CB ARG A 10 3.939 0.367 -15.145 1.00 0.00 C ATOM 157 CG ARG A 10 5.299 0.564 -15.796 1.00 0.00 C ATOM 158 CD ARG A 10 5.778 -0.707 -16.480 1.00 0.00 C ATOM 159 NE ARG A 10 7.122 -0.559 -17.031 1.00 0.00 N ATOM 160 CZ ARG A 10 7.401 0.186 -18.095 1.00 0.00 C ATOM 161 NH1 ARG A 10 6.436 0.847 -18.718 1.00 0.00 N ATOM 162 NH2 ARG A 10 8.650 0.272 -18.537 1.00 0.00 N ATOM 0 H ARG A 10 2.165 0.627 -13.454 1.00 0.00 H new ATOM 0 HA ARG A 10 3.813 2.467 -14.703 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.078 -0.080 -14.161 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.361 -0.341 -15.738 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.241 1.372 -16.526 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.024 0.868 -15.041 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.768 -1.529 -15.765 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.086 -0.971 -17.279 1.00 0.00 H new ATOM 0 HE ARG A 10 7.888 -1.054 -16.574 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.475 0.785 -18.381 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.654 1.418 -19.535 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.396 -0.234 -18.060 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.864 0.844 -19.354 1.00 0.00 H new ATOM 176 N PHE A 11 1.471 1.272 -16.713 1.00 0.00 N ATOM 177 CA PHE A 11 0.768 1.518 -17.967 1.00 0.00 C ATOM 178 C PHE A 11 -0.242 2.651 -17.812 1.00 0.00 C ATOM 179 O PHE A 11 -0.579 3.334 -18.779 1.00 0.00 O ATOM 180 CB PHE A 11 0.057 0.246 -18.435 1.00 0.00 C ATOM 181 CG PHE A 11 0.953 -0.959 -18.482 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.305 -0.823 -18.751 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.442 -2.227 -18.258 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.131 -1.930 -18.796 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.264 -3.338 -18.302 1.00 0.00 C ATOM 186 CZ PHE A 11 2.610 -3.189 -18.570 1.00 0.00 C ATOM 0 H PHE A 11 1.112 0.483 -16.175 1.00 0.00 H new ATOM 0 HA PHE A 11 1.504 1.812 -18.716 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.780 0.041 -17.768 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.361 0.417 -19.427 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.718 0.159 -18.928 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.610 -2.349 -18.047 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.183 -1.811 -19.008 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.853 -4.321 -18.127 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.254 -4.055 -18.603 1.00 0.00 H new ATOM 196 N ASP A 12 -0.722 2.844 -16.588 1.00 0.00 N ATOM 197 CA ASP A 12 -1.693 3.894 -16.304 1.00 0.00 C ATOM 198 C ASP A 12 -1.016 5.259 -16.245 1.00 0.00 C ATOM 199 O ASP A 12 -0.919 5.871 -15.181 1.00 0.00 O ATOM 200 CB ASP A 12 -2.413 3.610 -14.985 1.00 0.00 C ATOM 201 CG ASP A 12 -3.792 4.236 -14.931 1.00 0.00 C ATOM 202 OD1 ASP A 12 -3.892 5.418 -14.541 1.00 0.00 O ATOM 203 OD2 ASP A 12 -4.772 3.543 -15.278 1.00 0.00 O ATOM 0 H ASP A 12 -0.454 2.287 -15.777 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.424 3.906 -17.112 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.501 2.532 -14.847 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.813 3.989 -14.158 1.00 0.00 H new ATOM 262 N LYS A 18 -8.285 2.275 -15.400 1.00 0.00 N ATOM 263 CA LYS A 18 -7.976 1.005 -16.046 1.00 0.00 C ATOM 264 C LYS A 18 -6.768 1.143 -16.968 1.00 0.00 C ATOM 265 O LYS A 18 -6.355 2.254 -17.302 1.00 0.00 O ATOM 266 CB LYS A 18 -9.184 0.507 -16.843 1.00 0.00 C ATOM 267 CG LYS A 18 -10.441 0.349 -16.005 1.00 0.00 C ATOM 268 CD LYS A 18 -11.599 -0.185 -16.832 1.00 0.00 C ATOM 269 CE LYS A 18 -12.783 0.769 -16.815 1.00 0.00 C ATOM 270 NZ LYS A 18 -13.903 0.279 -17.665 1.00 0.00 N ATOM 0 HA LYS A 18 -7.737 0.280 -15.268 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.385 1.204 -17.656 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.938 -0.452 -17.299 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.243 -0.329 -15.174 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.715 1.312 -15.573 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.272 -0.342 -17.860 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.907 -1.156 -16.444 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.133 0.895 -15.790 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.464 1.750 -17.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.690 0.957 -17.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.577 0.183 -18.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.225 -0.646 -17.315 1.00 0.00 H new ATOM 284 N ILE A 19 -6.208 0.009 -17.375 1.00 0.00 N ATOM 285 CA ILE A 19 -5.050 0.005 -18.260 1.00 0.00 C ATOM 286 C ILE A 19 -5.257 -0.948 -19.433 1.00 0.00 C ATOM 287 O ILE A 19 -5.761 -2.057 -19.262 1.00 0.00 O ATOM 288 CB ILE A 19 -3.767 -0.396 -17.507 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.946 -1.764 -16.844 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.409 0.658 -16.471 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.742 -2.209 -16.045 1.00 0.00 C ATOM 0 H ILE A 19 -6.537 -0.918 -17.106 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.938 1.022 -18.637 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.949 -0.464 -18.224 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.815 -1.730 -16.187 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.157 -2.507 -17.613 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.500 0.360 -15.948 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.245 1.615 -16.967 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.225 0.756 -15.755 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.939 -3.186 -15.604 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.874 -2.276 -16.701 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.543 -1.487 -15.253 1.00 0.00 H new ATOM 303 N SER A 20 -4.862 -0.507 -20.623 1.00 0.00 N ATOM 304 CA SER A 20 -5.006 -1.320 -21.825 1.00 0.00 C ATOM 305 C SER A 20 -4.313 -2.668 -21.656 1.00 0.00 C ATOM 306 O SER A 20 -3.111 -2.733 -21.395 1.00 0.00 O ATOM 307 CB SER A 20 -4.428 -0.585 -23.036 1.00 0.00 C ATOM 308 OG SER A 20 -4.136 -1.487 -24.089 1.00 0.00 O ATOM 0 H SER A 20 -4.440 0.408 -20.781 1.00 0.00 H new ATOM 0 HA SER A 20 -6.069 -1.496 -21.989 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.138 0.166 -23.383 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.521 -0.055 -22.745 1.00 0.00 H new ATOM 0 HG SER A 20 -3.769 -0.992 -24.851 1.00 0.00 H new ATOM 314 N LEU A 21 -5.079 -3.743 -21.805 1.00 0.00 N ATOM 315 CA LEU A 21 -4.540 -5.092 -21.669 1.00 0.00 C ATOM 316 C LEU A 21 -3.938 -5.573 -22.985 1.00 0.00 C ATOM 317 O LEU A 21 -3.203 -6.560 -23.019 1.00 0.00 O ATOM 318 CB LEU A 21 -5.636 -6.057 -21.214 1.00 0.00 C ATOM 319 CG LEU A 21 -7.020 -5.839 -21.827 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.957 -5.957 -23.342 1.00 0.00 C ATOM 321 CD2 LEU A 21 -8.020 -6.832 -21.253 1.00 0.00 C ATOM 0 H LEU A 21 -6.075 -3.707 -22.020 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.751 -5.067 -20.917 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.315 -7.073 -21.443 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.726 -5.988 -20.130 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.354 -4.832 -21.575 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.951 -5.799 -23.761 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.273 -5.206 -23.737 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.602 -6.951 -23.615 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.999 -6.662 -21.701 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.692 -7.848 -21.473 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.086 -6.698 -20.173 1.00 0.00 H new ATOM 333 N SER A 22 -4.252 -4.867 -24.067 1.00 0.00 N ATOM 334 CA SER A 22 -3.743 -5.223 -25.386 1.00 0.00 C ATOM 335 C SER A 22 -2.322 -4.703 -25.579 1.00 0.00 C ATOM 336 O SER A 22 -1.446 -5.423 -26.056 1.00 0.00 O ATOM 337 CB SER A 22 -4.657 -4.661 -26.477 1.00 0.00 C ATOM 338 OG SER A 22 -5.751 -5.527 -26.722 1.00 0.00 O ATOM 0 H SER A 22 -4.856 -4.045 -24.056 1.00 0.00 H new ATOM 0 HA SER A 22 -3.726 -6.310 -25.460 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.026 -3.680 -26.177 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.088 -4.520 -27.396 1.00 0.00 H new ATOM 0 HG SER A 22 -6.321 -5.145 -27.422 1.00 0.00 H new ATOM 344 N GLU A 23 -2.103 -3.446 -25.204 1.00 0.00 N ATOM 345 CA GLU A 23 -0.789 -2.829 -25.337 1.00 0.00 C ATOM 346 C GLU A 23 0.216 -3.480 -24.391 1.00 0.00 C ATOM 347 O GLU A 23 1.423 -3.455 -24.636 1.00 0.00 O ATOM 348 CB GLU A 23 -0.875 -1.328 -25.051 1.00 0.00 C ATOM 349 CG GLU A 23 -1.083 -0.998 -23.583 1.00 0.00 C ATOM 350 CD GLU A 23 -1.163 0.494 -23.325 1.00 0.00 C ATOM 351 OE1 GLU A 23 -1.600 1.231 -24.234 1.00 0.00 O ATOM 352 OE2 GLU A 23 -0.790 0.925 -22.214 1.00 0.00 O ATOM 0 H GLU A 23 -2.818 -2.836 -24.806 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.448 -2.978 -26.361 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.041 -0.848 -25.396 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.695 -0.903 -25.630 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.000 -1.473 -23.234 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.264 -1.420 -23.000 1.00 0.00 H new ATOM 359 N LEU A 24 -0.289 -4.062 -23.309 1.00 0.00 N ATOM 360 CA LEU A 24 0.563 -4.721 -22.326 1.00 0.00 C ATOM 361 C LEU A 24 1.333 -5.875 -22.958 1.00 0.00 C ATOM 362 O LEU A 24 2.564 -5.869 -22.995 1.00 0.00 O ATOM 363 CB LEU A 24 -0.278 -5.234 -21.155 1.00 0.00 C ATOM 364 CG LEU A 24 0.363 -6.323 -20.295 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.027 -7.702 -20.841 1.00 0.00 C ATOM 366 CD2 LEU A 24 1.871 -6.128 -20.224 1.00 0.00 C ATOM 0 H LEU A 24 -1.285 -4.091 -23.090 1.00 0.00 H new ATOM 0 HA LEU A 24 1.281 -3.989 -21.956 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.523 -4.389 -20.512 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.219 -5.618 -21.550 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.041 -6.247 -19.286 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.492 -8.464 -20.216 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.054 -7.841 -20.839 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.402 -7.791 -21.861 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.311 -6.912 -19.608 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.292 -6.177 -21.228 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.092 -5.155 -19.785 1.00 0.00 H new ATOM 378 N THR A 25 0.600 -6.866 -23.457 1.00 0.00 N ATOM 379 CA THR A 25 1.213 -8.027 -24.089 1.00 0.00 C ATOM 380 C THR A 25 2.166 -7.608 -25.203 1.00 0.00 C ATOM 381 O THR A 25 3.201 -8.238 -25.418 1.00 0.00 O ATOM 382 CB THR A 25 0.150 -8.978 -24.669 1.00 0.00 C ATOM 383 OG1 THR A 25 0.771 -9.945 -25.524 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.900 -8.203 -25.451 1.00 0.00 C ATOM 0 H THR A 25 -0.420 -6.887 -23.435 1.00 0.00 H new ATOM 0 HA THR A 25 1.773 -8.550 -23.313 1.00 0.00 H new ATOM 0 HB THR A 25 -0.340 -9.488 -23.840 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.531 -10.353 -25.059 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.640 -8.896 -25.851 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.391 -7.488 -24.791 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.422 -7.669 -26.272 1.00 0.00 H new ATOM 392 N ASP A 26 1.809 -6.540 -25.909 1.00 0.00 N ATOM 393 CA ASP A 26 2.634 -6.035 -27.001 1.00 0.00 C ATOM 394 C ASP A 26 3.794 -5.203 -26.465 1.00 0.00 C ATOM 395 O ASP A 26 4.791 -4.992 -27.156 1.00 0.00 O ATOM 396 CB ASP A 26 1.788 -5.196 -27.961 1.00 0.00 C ATOM 397 CG ASP A 26 2.343 -5.196 -29.372 1.00 0.00 C ATOM 398 OD1 ASP A 26 3.412 -4.588 -29.589 1.00 0.00 O ATOM 399 OD2 ASP A 26 1.709 -5.805 -30.258 1.00 0.00 O ATOM 0 H ASP A 26 0.955 -6.008 -25.745 1.00 0.00 H new ATOM 0 HA ASP A 26 3.043 -6.889 -27.541 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.769 -5.582 -27.975 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.736 -4.171 -27.594 1.00 0.00 H new ATOM 404 N ALA A 27 3.657 -4.731 -25.230 1.00 0.00 N ATOM 405 CA ALA A 27 4.694 -3.922 -24.602 1.00 0.00 C ATOM 406 C ALA A 27 5.725 -4.800 -23.900 1.00 0.00 C ATOM 407 O ALA A 27 6.912 -4.473 -23.863 1.00 0.00 O ATOM 408 CB ALA A 27 4.075 -2.942 -23.617 1.00 0.00 C ATOM 0 H ALA A 27 2.838 -4.895 -24.645 1.00 0.00 H new ATOM 0 HA ALA A 27 5.205 -3.360 -25.384 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.861 -2.344 -23.156 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.382 -2.286 -24.144 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.537 -3.493 -22.845 1.00 0.00 H new ATOM 414 N LEU A 28 5.265 -5.916 -23.344 1.00 0.00 N ATOM 415 CA LEU A 28 6.147 -6.841 -22.643 1.00 0.00 C ATOM 416 C LEU A 28 7.345 -7.215 -23.510 1.00 0.00 C ATOM 417 O LEU A 28 8.402 -7.587 -22.999 1.00 0.00 O ATOM 418 CB LEU A 28 5.381 -8.102 -22.241 1.00 0.00 C ATOM 419 CG LEU A 28 4.783 -8.105 -20.834 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.893 -9.322 -20.634 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.886 -8.072 -19.786 1.00 0.00 C ATOM 0 H LEU A 28 4.286 -6.201 -23.366 1.00 0.00 H new ATOM 0 HA LEU A 28 6.513 -6.344 -21.745 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.574 -8.256 -22.957 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.054 -8.955 -22.330 1.00 0.00 H new ATOM 0 HG LEU A 28 4.171 -7.210 -20.719 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.477 -9.307 -19.627 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.082 -9.303 -21.362 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.482 -10.229 -20.769 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.442 -8.075 -18.790 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.524 -8.948 -19.901 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.483 -7.169 -19.915 1.00 0.00 H new ATOM 433 N ARG A 29 7.173 -7.112 -24.824 1.00 0.00 N ATOM 434 CA ARG A 29 8.240 -7.438 -25.762 1.00 0.00 C ATOM 435 C ARG A 29 9.476 -6.582 -25.499 1.00 0.00 C ATOM 436 O ARG A 29 10.607 -7.030 -25.687 1.00 0.00 O ATOM 437 CB ARG A 29 7.763 -7.235 -27.201 1.00 0.00 C ATOM 438 CG ARG A 29 7.625 -5.774 -27.596 1.00 0.00 C ATOM 439 CD ARG A 29 6.963 -5.625 -28.957 1.00 0.00 C ATOM 440 NE ARG A 29 7.941 -5.410 -30.021 1.00 0.00 N ATOM 441 CZ ARG A 29 7.612 -5.104 -31.271 1.00 0.00 C ATOM 442 NH1 ARG A 29 6.337 -4.978 -31.612 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.559 -4.924 -32.182 1.00 0.00 N ATOM 0 H ARG A 29 6.305 -6.805 -25.263 1.00 0.00 H new ATOM 0 HA ARG A 29 8.507 -8.485 -25.619 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.464 -7.721 -27.879 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.800 -7.730 -27.329 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.037 -5.247 -26.845 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.610 -5.307 -27.616 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.380 -6.519 -29.176 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.266 -4.788 -28.931 1.00 0.00 H new ATOM 0 HE ARG A 29 8.931 -5.500 -29.791 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.606 -5.116 -30.914 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.087 -4.743 -32.572 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.541 -5.021 -31.923 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.305 -4.689 -33.142 1.00 0.00 H new ATOM 457 N THR A 30 9.252 -5.346 -25.063 1.00 0.00 N ATOM 458 CA THR A 30 10.345 -4.427 -24.776 1.00 0.00 C ATOM 459 C THR A 30 10.949 -4.702 -23.404 1.00 0.00 C ATOM 460 O THR A 30 12.120 -4.408 -23.159 1.00 0.00 O ATOM 461 CB THR A 30 9.877 -2.961 -24.834 1.00 0.00 C ATOM 462 OG1 THR A 30 10.984 -2.104 -25.133 1.00 0.00 O ATOM 463 CG2 THR A 30 9.247 -2.542 -23.514 1.00 0.00 C ATOM 0 H THR A 30 8.322 -4.959 -24.901 1.00 0.00 H new ATOM 0 HA THR A 30 11.103 -4.589 -25.543 1.00 0.00 H new ATOM 0 HB THR A 30 9.128 -2.873 -25.621 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.677 -1.174 -25.169 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.924 -1.503 -23.579 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.386 -3.177 -23.304 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.979 -2.645 -22.713 1.00 0.00 H new ATOM 471 N LEU A 31 10.144 -5.268 -22.511 1.00 0.00 N ATOM 472 CA LEU A 31 10.600 -5.584 -21.162 1.00 0.00 C ATOM 473 C LEU A 31 11.517 -6.803 -21.168 1.00 0.00 C ATOM 474 O LEU A 31 12.102 -7.157 -20.146 1.00 0.00 O ATOM 475 CB LEU A 31 9.402 -5.838 -20.244 1.00 0.00 C ATOM 476 CG LEU A 31 8.949 -4.654 -19.389 1.00 0.00 C ATOM 477 CD1 LEU A 31 10.082 -4.179 -18.493 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.452 -3.518 -20.271 1.00 0.00 C ATOM 0 H LEU A 31 9.173 -5.517 -22.697 1.00 0.00 H new ATOM 0 HA LEU A 31 11.164 -4.730 -20.787 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.561 -6.160 -20.858 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.648 -6.667 -19.580 1.00 0.00 H new ATOM 0 HG LEU A 31 8.125 -4.982 -18.755 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.741 -3.336 -17.892 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.391 -4.992 -17.836 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.926 -3.868 -19.108 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.134 -2.684 -19.645 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.256 -3.191 -20.930 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.610 -3.864 -20.870 1.00 0.00 H new ATOM 490 N GLY A 32 11.639 -7.439 -22.329 1.00 0.00 N ATOM 491 CA GLY A 32 12.489 -8.610 -22.448 1.00 0.00 C ATOM 492 C GLY A 32 11.742 -9.899 -22.167 1.00 0.00 C ATOM 493 O GLY A 32 12.350 -10.961 -22.039 1.00 0.00 O ATOM 0 H GLY A 32 11.165 -7.165 -23.189 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.910 -8.649 -23.453 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.326 -8.520 -21.755 1.00 0.00 H new ATOM 497 N SER A 33 10.420 -9.805 -22.068 1.00 0.00 N ATOM 498 CA SER A 33 9.589 -10.972 -21.794 1.00 0.00 C ATOM 499 C SER A 33 9.515 -11.885 -23.015 1.00 0.00 C ATOM 500 O SER A 33 9.267 -11.429 -24.132 1.00 0.00 O ATOM 501 CB SER A 33 8.181 -10.538 -21.383 1.00 0.00 C ATOM 502 OG SER A 33 7.881 -10.963 -20.064 1.00 0.00 O ATOM 0 H SER A 33 9.901 -8.933 -22.173 1.00 0.00 H new ATOM 0 HA SER A 33 10.045 -11.526 -20.973 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.098 -9.453 -21.447 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.451 -10.954 -22.077 1.00 0.00 H new ATOM 0 HG SER A 33 6.917 -11.119 -19.982 1.00 0.00 H new ATOM 508 N THR A 34 9.733 -13.178 -22.794 1.00 0.00 N ATOM 509 CA THR A 34 9.693 -14.155 -23.874 1.00 0.00 C ATOM 510 C THR A 34 8.372 -14.915 -23.879 1.00 0.00 C ATOM 511 O THR A 34 8.282 -16.020 -24.414 1.00 0.00 O ATOM 512 CB THR A 34 10.852 -15.164 -23.762 1.00 0.00 C ATOM 513 OG1 THR A 34 10.885 -16.002 -24.923 1.00 0.00 O ATOM 514 CG2 THR A 34 10.704 -16.021 -22.515 1.00 0.00 C ATOM 0 H THR A 34 9.939 -13.572 -21.876 1.00 0.00 H new ATOM 0 HA THR A 34 9.793 -13.600 -24.806 1.00 0.00 H new ATOM 0 HB THR A 34 11.786 -14.606 -23.691 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.976 -16.296 -25.140 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.534 -16.726 -22.457 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.708 -15.382 -21.632 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.764 -16.570 -22.561 1.00 0.00 H new ATOM 522 N SER A 35 7.348 -14.316 -23.280 1.00 0.00 N ATOM 523 CA SER A 35 6.031 -14.939 -23.212 1.00 0.00 C ATOM 524 C SER A 35 4.946 -13.966 -23.665 1.00 0.00 C ATOM 525 O SER A 35 3.767 -14.149 -23.363 1.00 0.00 O ATOM 526 CB SER A 35 5.741 -15.417 -21.788 1.00 0.00 C ATOM 527 OG SER A 35 5.884 -14.359 -20.856 1.00 0.00 O ATOM 0 H SER A 35 7.405 -13.400 -22.835 1.00 0.00 H new ATOM 0 HA SER A 35 6.028 -15.798 -23.883 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.729 -15.818 -21.735 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.420 -16.229 -21.528 1.00 0.00 H new ATOM 0 HG SER A 35 6.105 -14.727 -19.975 1.00 0.00 H new ATOM 533 N ALA A 36 5.354 -12.930 -24.390 1.00 0.00 N ATOM 534 CA ALA A 36 4.418 -11.929 -24.887 1.00 0.00 C ATOM 535 C ALA A 36 3.270 -12.581 -25.650 1.00 0.00 C ATOM 536 O ALA A 36 2.180 -12.018 -25.749 1.00 0.00 O ATOM 537 CB ALA A 36 5.141 -10.925 -25.773 1.00 0.00 C ATOM 0 H ALA A 36 6.327 -12.762 -24.646 1.00 0.00 H new ATOM 0 HA ALA A 36 3.997 -11.404 -24.030 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.430 -10.183 -26.137 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.922 -10.428 -25.197 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.590 -11.444 -26.620 1.00 0.00 H new ATOM 543 N ASP A 37 3.523 -13.769 -26.187 1.00 0.00 N ATOM 544 CA ASP A 37 2.510 -14.498 -26.941 1.00 0.00 C ATOM 545 C ASP A 37 1.577 -15.259 -26.004 1.00 0.00 C ATOM 546 O ASP A 37 0.391 -15.418 -26.288 1.00 0.00 O ATOM 547 CB ASP A 37 3.172 -15.468 -27.921 1.00 0.00 C ATOM 548 CG ASP A 37 2.205 -16.510 -28.447 1.00 0.00 C ATOM 549 OD1 ASP A 37 1.165 -16.120 -29.019 1.00 0.00 O ATOM 550 OD2 ASP A 37 2.488 -17.716 -28.287 1.00 0.00 O ATOM 0 H ASP A 37 4.421 -14.248 -26.114 1.00 0.00 H new ATOM 0 HA ASP A 37 1.920 -13.774 -27.502 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.588 -14.907 -28.758 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.006 -15.967 -27.427 1.00 0.00 H new ATOM 555 N GLU A 38 2.124 -15.729 -24.887 1.00 0.00 N ATOM 556 CA GLU A 38 1.341 -16.476 -23.909 1.00 0.00 C ATOM 557 C GLU A 38 0.540 -15.531 -23.018 1.00 0.00 C ATOM 558 O GLU A 38 -0.556 -15.864 -22.568 1.00 0.00 O ATOM 559 CB GLU A 38 2.256 -17.351 -23.051 1.00 0.00 C ATOM 560 CG GLU A 38 1.507 -18.351 -22.187 1.00 0.00 C ATOM 561 CD GLU A 38 1.216 -19.649 -22.916 1.00 0.00 C ATOM 562 OE1 GLU A 38 2.015 -20.027 -23.797 1.00 0.00 O ATOM 563 OE2 GLU A 38 0.188 -20.286 -22.604 1.00 0.00 O ATOM 0 H GLU A 38 3.105 -15.606 -24.637 1.00 0.00 H new ATOM 0 HA GLU A 38 0.644 -17.115 -24.451 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.944 -17.890 -23.702 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.860 -16.710 -22.409 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.093 -18.564 -21.293 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.569 -17.907 -21.854 1.00 0.00 H new ATOM 570 N VAL A 39 1.097 -14.350 -22.766 1.00 0.00 N ATOM 571 CA VAL A 39 0.436 -13.356 -21.929 1.00 0.00 C ATOM 572 C VAL A 39 -0.783 -12.769 -22.632 1.00 0.00 C ATOM 573 O VAL A 39 -1.772 -12.417 -21.989 1.00 0.00 O ATOM 574 CB VAL A 39 1.396 -12.213 -21.550 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.779 -11.407 -22.782 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.768 -11.319 -20.491 1.00 0.00 C ATOM 0 H VAL A 39 2.004 -14.059 -23.130 1.00 0.00 H new ATOM 0 HA VAL A 39 0.117 -13.868 -21.021 1.00 0.00 H new ATOM 0 HB VAL A 39 2.305 -12.648 -21.133 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.458 -10.604 -22.495 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.272 -12.058 -23.504 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.882 -10.981 -23.231 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.460 -10.517 -20.235 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.157 -10.891 -20.878 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.550 -11.908 -19.600 1.00 0.00 H new ATOM 586 N GLN A 40 -0.705 -12.667 -23.955 1.00 0.00 N ATOM 587 CA GLN A 40 -1.802 -12.122 -24.745 1.00 0.00 C ATOM 588 C GLN A 40 -3.069 -12.951 -24.561 1.00 0.00 C ATOM 589 O GLN A 40 -4.172 -12.408 -24.486 1.00 0.00 O ATOM 590 CB GLN A 40 -1.419 -12.076 -26.225 1.00 0.00 C ATOM 591 CG GLN A 40 -2.608 -12.193 -27.165 1.00 0.00 C ATOM 592 CD GLN A 40 -2.200 -12.191 -28.625 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.154 -12.942 -28.949 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.818 -11.521 -29.453 1.00 0.00 N flip ATOM 0 H GLN A 40 0.106 -12.955 -24.502 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.999 -11.108 -24.396 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.897 -11.141 -26.428 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.719 -12.884 -26.436 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.151 -13.112 -26.945 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.294 -11.366 -26.982 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.616 -10.958 -29.160 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.531 -11.529 -30.432 1.00 0.00 H new ATOM 603 N ARG A 41 -2.904 -14.268 -24.489 1.00 0.00 N ATOM 604 CA ARG A 41 -4.035 -15.171 -24.315 1.00 0.00 C ATOM 605 C ARG A 41 -4.409 -15.297 -22.841 1.00 0.00 C ATOM 606 O ARG A 41 -5.524 -15.695 -22.506 1.00 0.00 O ATOM 607 CB ARG A 41 -3.705 -16.551 -24.888 1.00 0.00 C ATOM 608 CG ARG A 41 -2.431 -17.156 -24.322 1.00 0.00 C ATOM 609 CD ARG A 41 -2.106 -18.487 -24.983 1.00 0.00 C ATOM 610 NE ARG A 41 -2.926 -19.574 -24.456 1.00 0.00 N ATOM 611 CZ ARG A 41 -4.097 -19.929 -24.974 1.00 0.00 C ATOM 612 NH1 ARG A 41 -4.581 -19.287 -26.027 1.00 0.00 N ATOM 613 NH2 ARG A 41 -4.785 -20.929 -24.438 1.00 0.00 N ATOM 0 H ARG A 41 -1.998 -14.733 -24.548 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.886 -14.755 -24.854 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.537 -17.226 -24.689 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.610 -16.472 -25.971 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.602 -16.464 -24.468 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.541 -17.299 -23.247 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.261 -18.405 -26.059 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.052 -18.720 -24.829 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.581 -20.089 -23.646 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.054 -18.518 -26.442 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.480 -19.561 -26.423 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.415 -21.426 -23.628 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.684 -21.201 -24.836 1.00 0.00 H new ATOM 627 N MET A 42 -3.470 -14.954 -21.966 1.00 0.00 N ATOM 628 CA MET A 42 -3.701 -15.028 -20.528 1.00 0.00 C ATOM 629 C MET A 42 -4.480 -13.811 -20.040 1.00 0.00 C ATOM 630 O MET A 42 -5.443 -13.941 -19.285 1.00 0.00 O ATOM 631 CB MET A 42 -2.371 -15.131 -19.780 1.00 0.00 C ATOM 632 CG MET A 42 -1.641 -16.443 -20.016 1.00 0.00 C ATOM 633 SD MET A 42 -1.966 -17.661 -18.728 1.00 0.00 S ATOM 634 CE MET A 42 -0.688 -18.868 -19.072 1.00 0.00 C ATOM 0 H MET A 42 -2.542 -14.622 -22.227 1.00 0.00 H new ATOM 0 HA MET A 42 -4.292 -15.921 -20.326 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.727 -14.306 -20.085 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.554 -15.014 -18.712 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.940 -16.852 -20.981 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.569 -16.253 -20.069 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.144 -19.783 -19.450 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.002 -18.469 -19.819 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.139 -19.088 -18.156 1.00 0.00 H new ATOM 644 N MET A 43 -4.056 -12.629 -20.476 1.00 0.00 N ATOM 645 CA MET A 43 -4.715 -11.389 -20.083 1.00 0.00 C ATOM 646 C MET A 43 -6.201 -11.431 -20.425 1.00 0.00 C ATOM 647 O MET A 43 -7.009 -10.736 -19.810 1.00 0.00 O ATOM 648 CB MET A 43 -4.054 -10.194 -20.773 1.00 0.00 C ATOM 649 CG MET A 43 -3.911 -10.364 -22.277 1.00 0.00 C ATOM 650 SD MET A 43 -4.877 -9.159 -23.208 1.00 0.00 S ATOM 651 CE MET A 43 -4.297 -9.475 -24.873 1.00 0.00 C ATOM 0 H MET A 43 -3.260 -12.504 -21.101 1.00 0.00 H new ATOM 0 HA MET A 43 -4.612 -11.278 -19.004 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.641 -9.298 -20.571 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.067 -10.034 -20.338 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.860 -10.271 -22.551 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.225 -11.370 -22.556 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.330 -8.552 -25.451 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.272 -9.844 -24.837 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.935 -10.222 -25.345 1.00 0.00 H new ATOM 661 N ALA A 44 -6.554 -12.249 -21.411 1.00 0.00 N ATOM 662 CA ALA A 44 -7.942 -12.382 -21.834 1.00 0.00 C ATOM 663 C ALA A 44 -8.782 -13.060 -20.756 1.00 0.00 C ATOM 664 O ALA A 44 -10.005 -12.925 -20.733 1.00 0.00 O ATOM 665 CB ALA A 44 -8.025 -13.162 -23.138 1.00 0.00 C ATOM 0 H ALA A 44 -5.897 -12.830 -21.932 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.343 -11.382 -21.996 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.068 -13.253 -23.442 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.466 -12.637 -23.912 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.600 -14.156 -22.995 1.00 0.00 H new ATOM 671 N GLU A 45 -8.117 -13.790 -19.866 1.00 0.00 N ATOM 672 CA GLU A 45 -8.803 -14.489 -18.786 1.00 0.00 C ATOM 673 C GLU A 45 -9.312 -13.505 -17.737 1.00 0.00 C ATOM 674 O GLU A 45 -10.457 -13.593 -17.293 1.00 0.00 O ATOM 675 CB GLU A 45 -7.868 -15.509 -18.134 1.00 0.00 C ATOM 676 CG GLU A 45 -7.234 -16.473 -19.122 1.00 0.00 C ATOM 677 CD GLU A 45 -8.199 -17.544 -19.593 1.00 0.00 C ATOM 678 OE1 GLU A 45 -9.211 -17.191 -20.233 1.00 0.00 O ATOM 679 OE2 GLU A 45 -7.940 -18.735 -19.321 1.00 0.00 O ATOM 0 H GLU A 45 -7.104 -13.913 -19.872 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.659 -15.012 -19.213 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.080 -14.978 -17.601 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.427 -16.079 -17.391 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.867 -15.915 -19.984 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.369 -16.947 -18.658 1.00 0.00 H new ATOM 686 N ILE A 46 -8.454 -12.570 -17.346 1.00 0.00 N ATOM 687 CA ILE A 46 -8.816 -11.569 -16.350 1.00 0.00 C ATOM 688 C ILE A 46 -9.847 -10.591 -16.903 1.00 0.00 C ATOM 689 O ILE A 46 -10.672 -10.058 -16.162 1.00 0.00 O ATOM 690 CB ILE A 46 -7.583 -10.780 -15.870 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.858 -10.150 -17.061 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.644 -11.689 -15.091 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.785 -9.162 -16.660 1.00 0.00 C ATOM 0 H ILE A 46 -7.503 -12.484 -17.704 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.245 -12.107 -15.504 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.916 -9.981 -15.208 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.407 -10.940 -17.661 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.587 -9.645 -17.695 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.777 -11.118 -14.758 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.166 -12.094 -14.224 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.315 -12.507 -15.732 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.313 -8.755 -17.554 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.233 -8.352 -16.085 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.035 -9.667 -16.051 1.00 0.00 H new ATOM 705 N ASP A 47 -9.794 -10.361 -18.211 1.00 0.00 N ATOM 706 CA ASP A 47 -10.725 -9.448 -18.865 1.00 0.00 C ATOM 707 C ASP A 47 -12.095 -10.098 -19.036 1.00 0.00 C ATOM 708 O ASP A 47 -12.262 -11.021 -19.833 1.00 0.00 O ATOM 709 CB ASP A 47 -10.178 -9.018 -20.228 1.00 0.00 C ATOM 710 CG ASP A 47 -10.897 -7.805 -20.781 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.589 -7.078 -19.912 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.830 -7.523 -21.978 1.00 0.00 O ATOM 0 H ASP A 47 -9.117 -10.794 -18.839 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.837 -8.568 -18.232 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.115 -8.797 -20.136 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.272 -9.845 -20.932 1.00 0.00 H new ATOM 717 N THR A 48 -13.075 -9.608 -18.282 1.00 0.00 N ATOM 718 CA THR A 48 -14.430 -10.140 -18.349 1.00 0.00 C ATOM 719 C THR A 48 -15.293 -9.326 -19.305 1.00 0.00 C ATOM 720 O THR A 48 -16.356 -9.776 -19.733 1.00 0.00 O ATOM 721 CB THR A 48 -15.096 -10.157 -16.961 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.296 -10.937 -17.002 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.420 -8.744 -16.499 1.00 0.00 C ATOM 0 H THR A 48 -12.955 -8.843 -17.618 1.00 0.00 H new ATOM 0 HA THR A 48 -14.350 -11.163 -18.717 1.00 0.00 H new ATOM 0 HB THR A 48 -14.397 -10.603 -16.253 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.655 -10.937 -17.914 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.890 -8.781 -15.516 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.501 -8.161 -16.440 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.102 -8.276 -17.209 1.00 0.00 H new ATOM 731 N ASP A 49 -14.830 -8.126 -19.637 1.00 0.00 N ATOM 732 CA ASP A 49 -15.560 -7.249 -20.545 1.00 0.00 C ATOM 733 C ASP A 49 -14.953 -7.287 -21.944 1.00 0.00 C ATOM 734 O ASP A 49 -15.415 -6.598 -22.852 1.00 0.00 O ATOM 735 CB ASP A 49 -15.559 -5.815 -20.014 1.00 0.00 C ATOM 736 CG ASP A 49 -14.914 -5.704 -18.647 1.00 0.00 C ATOM 737 OD1 ASP A 49 -15.626 -5.888 -17.638 1.00 0.00 O ATOM 738 OD2 ASP A 49 -13.696 -5.433 -18.585 1.00 0.00 O ATOM 0 H ASP A 49 -13.952 -7.738 -19.291 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.588 -7.605 -20.605 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -15.029 -5.171 -20.716 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.585 -5.450 -19.959 1.00 0.00 H new ATOM 743 N GLY A 50 -13.911 -8.097 -22.109 1.00 0.00 N ATOM 744 CA GLY A 50 -13.256 -8.209 -23.399 1.00 0.00 C ATOM 745 C GLY A 50 -12.953 -6.858 -24.015 1.00 0.00 C ATOM 746 O GLY A 50 -13.005 -6.698 -25.234 1.00 0.00 O ATOM 0 H GLY A 50 -13.509 -8.677 -21.372 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.328 -8.769 -23.284 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.891 -8.780 -24.077 1.00 0.00 H new ATOM 750 N ASP A 51 -12.636 -5.883 -23.170 1.00 0.00 N ATOM 751 CA ASP A 51 -12.324 -4.537 -23.638 1.00 0.00 C ATOM 752 C ASP A 51 -10.826 -4.265 -23.548 1.00 0.00 C ATOM 753 O ASP A 51 -10.079 -5.035 -22.945 1.00 0.00 O ATOM 754 CB ASP A 51 -13.094 -3.498 -22.821 1.00 0.00 C ATOM 755 CG ASP A 51 -12.508 -3.300 -21.437 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.233 -4.312 -20.758 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.323 -2.134 -21.033 1.00 0.00 O ATOM 0 H ASP A 51 -12.588 -5.999 -22.158 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.627 -4.463 -24.682 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.091 -2.547 -23.353 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.135 -3.810 -22.731 1.00 0.00 H new ATOM 762 N GLY A 52 -10.392 -3.163 -24.152 1.00 0.00 N ATOM 763 CA GLY A 52 -8.985 -2.809 -24.130 1.00 0.00 C ATOM 764 C GLY A 52 -8.597 -2.055 -22.873 1.00 0.00 C ATOM 765 O GLY A 52 -7.942 -1.014 -22.942 1.00 0.00 O ATOM 0 H GLY A 52 -10.990 -2.509 -24.656 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.384 -3.715 -24.207 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.753 -2.198 -25.003 1.00 0.00 H new ATOM 769 N PHE A 53 -9.002 -2.580 -21.721 1.00 0.00 N ATOM 770 CA PHE A 53 -8.695 -1.948 -20.444 1.00 0.00 C ATOM 771 C PHE A 53 -8.957 -2.907 -19.286 1.00 0.00 C ATOM 772 O PHE A 53 -9.828 -3.773 -19.369 1.00 0.00 O ATOM 773 CB PHE A 53 -9.528 -0.677 -20.266 1.00 0.00 C ATOM 774 CG PHE A 53 -8.892 0.545 -20.865 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.718 1.059 -20.340 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.469 1.178 -21.954 1.00 0.00 C ATOM 777 CE1 PHE A 53 -7.131 2.184 -20.890 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.887 2.303 -22.508 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.716 2.805 -21.976 1.00 0.00 C ATOM 0 H PHE A 53 -9.543 -3.441 -21.646 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.637 -1.684 -20.443 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.507 -0.827 -20.721 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.693 -0.506 -19.202 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.256 0.576 -19.492 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.384 0.788 -22.375 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.216 2.576 -20.471 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.348 2.788 -23.356 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.258 3.682 -22.409 1.00 0.00 H new ATOM 789 N ILE A 54 -8.196 -2.746 -18.208 1.00 0.00 N ATOM 790 CA ILE A 54 -8.346 -3.597 -17.034 1.00 0.00 C ATOM 791 C ILE A 54 -8.153 -2.799 -15.749 1.00 0.00 C ATOM 792 O ILE A 54 -7.301 -1.913 -15.679 1.00 0.00 O ATOM 793 CB ILE A 54 -7.344 -4.766 -17.055 1.00 0.00 C ATOM 794 CG1 ILE A 54 -5.915 -4.245 -16.885 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.476 -5.554 -18.349 1.00 0.00 C ATOM 796 CD1 ILE A 54 -4.879 -5.343 -16.794 1.00 0.00 C ATOM 0 H ILE A 54 -7.470 -2.035 -18.124 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.359 -3.998 -17.061 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.569 -5.433 -16.222 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.671 -3.595 -17.726 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.865 -3.633 -15.984 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.761 -6.377 -18.348 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.487 -5.952 -18.431 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.274 -4.899 -19.196 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.890 -4.901 -16.675 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.098 -5.980 -15.937 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.902 -5.941 -17.705 1.00 0.00 H new ATOM 808 N ASP A 55 -8.948 -3.120 -14.735 1.00 0.00 N ATOM 809 CA ASP A 55 -8.863 -2.435 -13.450 1.00 0.00 C ATOM 810 C ASP A 55 -7.947 -3.189 -12.492 1.00 0.00 C ATOM 811 O ASP A 55 -7.234 -4.110 -12.893 1.00 0.00 O ATOM 812 CB ASP A 55 -10.255 -2.287 -12.834 1.00 0.00 C ATOM 813 CG ASP A 55 -10.613 -0.841 -12.554 1.00 0.00 C ATOM 814 OD1 ASP A 55 -9.956 -0.222 -11.690 1.00 0.00 O ATOM 815 OD2 ASP A 55 -11.550 -0.326 -13.200 1.00 0.00 O ATOM 0 H ASP A 55 -9.659 -3.850 -14.777 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.443 -1.444 -13.621 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.995 -2.718 -13.508 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.301 -2.856 -11.905 1.00 0.00 H new ATOM 820 N PHE A 56 -7.970 -2.793 -11.223 1.00 0.00 N ATOM 821 CA PHE A 56 -7.139 -3.430 -10.208 1.00 0.00 C ATOM 822 C PHE A 56 -7.539 -4.890 -10.016 1.00 0.00 C ATOM 823 O PHE A 56 -6.686 -5.764 -9.870 1.00 0.00 O ATOM 824 CB PHE A 56 -7.255 -2.679 -8.880 1.00 0.00 C ATOM 825 CG PHE A 56 -6.044 -2.823 -8.003 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.776 -2.571 -8.503 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.173 -3.210 -6.679 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.660 -2.702 -7.699 1.00 0.00 C ATOM 829 CE2 PHE A 56 -5.060 -3.342 -5.870 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.802 -3.089 -6.380 1.00 0.00 C ATOM 0 H PHE A 56 -8.555 -2.034 -10.874 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.104 -3.397 -10.548 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.423 -1.621 -9.083 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.130 -3.043 -8.341 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.659 -2.269 -9.533 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.154 -3.411 -6.274 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.678 -2.502 -8.101 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.174 -3.643 -4.839 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.931 -3.193 -5.750 1.00 0.00 H new ATOM 840 N ASN A 57 -8.844 -5.145 -10.017 1.00 0.00 N ATOM 841 CA ASN A 57 -9.358 -6.498 -9.841 1.00 0.00 C ATOM 842 C ASN A 57 -8.962 -7.387 -11.016 1.00 0.00 C ATOM 843 O ASN A 57 -8.628 -8.558 -10.836 1.00 0.00 O ATOM 844 CB ASN A 57 -10.881 -6.473 -9.698 1.00 0.00 C ATOM 845 CG ASN A 57 -11.348 -7.066 -8.382 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.227 -6.516 -7.718 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.759 -8.193 -7.999 1.00 0.00 N ATOM 0 H ASN A 57 -9.564 -4.433 -10.138 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.921 -6.910 -8.932 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.234 -5.445 -9.775 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.330 -7.027 -10.523 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.031 -8.638 -7.122 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.035 -8.614 -8.582 1.00 0.00 H new ATOM 854 N GLU A 58 -9.001 -6.822 -12.219 1.00 0.00 N ATOM 855 CA GLU A 58 -8.646 -7.564 -13.423 1.00 0.00 C ATOM 856 C GLU A 58 -7.151 -7.867 -13.454 1.00 0.00 C ATOM 857 O GLU A 58 -6.742 -9.025 -13.546 1.00 0.00 O ATOM 858 CB GLU A 58 -9.044 -6.774 -14.671 1.00 0.00 C ATOM 859 CG GLU A 58 -10.535 -6.803 -14.961 1.00 0.00 C ATOM 860 CD GLU A 58 -10.868 -6.310 -16.356 1.00 0.00 C ATOM 861 OE1 GLU A 58 -10.168 -6.709 -17.310 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.830 -5.526 -16.494 1.00 0.00 O ATOM 0 H GLU A 58 -9.275 -5.854 -12.385 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.190 -8.508 -13.411 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.726 -5.738 -14.552 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.507 -7.175 -15.531 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.905 -7.821 -14.842 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.056 -6.187 -14.228 1.00 0.00 H new ATOM 869 N PHE A 59 -6.339 -6.818 -13.378 1.00 0.00 N ATOM 870 CA PHE A 59 -4.889 -6.970 -13.399 1.00 0.00 C ATOM 871 C PHE A 59 -4.425 -7.913 -12.293 1.00 0.00 C ATOM 872 O PHE A 59 -3.501 -8.705 -12.484 1.00 0.00 O ATOM 873 CB PHE A 59 -4.209 -5.609 -13.242 1.00 0.00 C ATOM 874 CG PHE A 59 -2.729 -5.644 -13.495 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.227 -6.174 -14.673 1.00 0.00 C ATOM 876 CD2 PHE A 59 -1.840 -5.149 -12.555 1.00 0.00 C ATOM 877 CE1 PHE A 59 -0.866 -6.209 -14.909 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.477 -5.180 -12.787 1.00 0.00 C ATOM 879 CZ PHE A 59 0.010 -5.712 -13.964 1.00 0.00 C ATOM 0 H PHE A 59 -6.661 -5.853 -13.301 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.608 -7.399 -14.361 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.670 -4.900 -13.930 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.388 -5.237 -12.233 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.908 -6.564 -15.415 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.215 -4.734 -11.631 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.488 -6.624 -15.831 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.206 -4.788 -12.048 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.074 -5.740 -14.146 1.00 0.00 H new ATOM 889 N ILE A 60 -5.072 -7.822 -11.136 1.00 0.00 N ATOM 890 CA ILE A 60 -4.727 -8.667 -9.999 1.00 0.00 C ATOM 891 C ILE A 60 -5.044 -10.131 -10.286 1.00 0.00 C ATOM 892 O ILE A 60 -4.229 -11.015 -10.025 1.00 0.00 O ATOM 893 CB ILE A 60 -5.476 -8.231 -8.726 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.796 -7.011 -8.101 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.537 -9.378 -7.729 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.520 -7.343 -7.359 1.00 0.00 C ATOM 0 H ILE A 60 -5.838 -7.172 -10.961 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.655 -8.555 -9.836 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.495 -7.956 -8.998 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.573 -6.288 -8.886 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.492 -6.530 -7.413 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.069 -9.055 -6.834 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.060 -10.222 -8.177 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.525 -9.680 -7.460 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.093 -6.430 -6.943 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.740 -8.042 -6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.806 -7.796 -8.047 1.00 0.00 H new ATOM 908 N SER A 61 -6.233 -10.378 -10.825 1.00 0.00 N ATOM 909 CA SER A 61 -6.659 -11.735 -11.146 1.00 0.00 C ATOM 910 C SER A 61 -5.581 -12.471 -11.937 1.00 0.00 C ATOM 911 O SER A 61 -5.484 -13.697 -11.884 1.00 0.00 O ATOM 912 CB SER A 61 -7.964 -11.707 -11.945 1.00 0.00 C ATOM 913 OG SER A 61 -9.082 -11.539 -11.090 1.00 0.00 O ATOM 0 H SER A 61 -6.918 -9.657 -11.049 1.00 0.00 H new ATOM 0 HA SER A 61 -6.825 -12.268 -10.210 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.932 -10.895 -12.671 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.069 -12.634 -12.508 1.00 0.00 H new ATOM 0 HG SER A 61 -9.174 -10.592 -10.854 1.00 0.00 H new ATOM 919 N PHE A 62 -4.774 -11.712 -12.671 1.00 0.00 N ATOM 920 CA PHE A 62 -3.703 -12.290 -13.475 1.00 0.00 C ATOM 921 C PHE A 62 -2.610 -12.875 -12.585 1.00 0.00 C ATOM 922 O PHE A 62 -2.085 -13.955 -12.857 1.00 0.00 O ATOM 923 CB PHE A 62 -3.107 -11.232 -14.405 1.00 0.00 C ATOM 924 CG PHE A 62 -2.402 -11.812 -15.598 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.347 -12.695 -15.434 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.794 -11.473 -16.883 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.696 -13.229 -16.530 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.147 -12.005 -17.983 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.097 -12.884 -17.806 1.00 0.00 C ATOM 0 H PHE A 62 -4.841 -10.696 -12.726 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.127 -13.094 -14.076 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.903 -10.572 -14.749 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.405 -10.618 -13.841 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.030 -12.969 -14.439 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.614 -10.785 -17.027 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.126 -13.916 -16.389 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.463 -11.733 -18.980 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.590 -13.301 -18.664 1.00 0.00 H new ATOM 939 N CYS A 63 -2.273 -12.154 -11.521 1.00 0.00 N ATOM 940 CA CYS A 63 -1.242 -12.600 -10.591 1.00 0.00 C ATOM 941 C CYS A 63 -1.782 -13.676 -9.655 1.00 0.00 C ATOM 942 O CYS A 63 -1.127 -14.688 -9.413 1.00 0.00 O ATOM 943 CB CYS A 63 -0.715 -11.417 -9.777 1.00 0.00 C ATOM 944 SG CYS A 63 0.604 -11.849 -8.617 1.00 0.00 S ATOM 0 H CYS A 63 -2.699 -11.259 -11.281 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.424 -13.027 -11.171 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.346 -10.654 -10.462 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.542 -10.974 -9.222 1.00 0.00 H new ATOM 0 HG CYS A 63 1.289 -10.784 -8.323 1.00 0.00 H new ATOM 950 N ASN A 64 -2.982 -13.448 -9.130 1.00 0.00 N ATOM 951 CA ASN A 64 -3.610 -14.398 -8.218 1.00 0.00 C ATOM 952 C ASN A 64 -3.760 -15.766 -8.876 1.00 0.00 C ATOM 953 O ASN A 64 -3.874 -16.785 -8.195 1.00 0.00 O ATOM 954 CB ASN A 64 -4.980 -13.880 -7.774 1.00 0.00 C ATOM 955 CG ASN A 64 -4.960 -13.333 -6.359 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.412 -13.989 -5.421 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.433 -12.124 -6.201 1.00 0.00 N ATOM 0 H ASN A 64 -3.538 -12.615 -9.320 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.968 -14.504 -7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.309 -13.098 -8.458 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.709 -14.688 -7.838 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.391 -11.703 -5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.070 -11.616 -7.008 1.00 0.00 H new ATOM 964 N ALA A 65 -3.758 -15.781 -10.205 1.00 0.00 N ATOM 965 CA ALA A 65 -3.891 -17.024 -10.955 1.00 0.00 C ATOM 966 C ALA A 65 -2.550 -17.741 -11.071 1.00 0.00 C ATOM 967 O ALA A 65 -2.498 -18.935 -11.362 1.00 0.00 O ATOM 968 CB ALA A 65 -4.465 -16.747 -12.337 1.00 0.00 C ATOM 0 H ALA A 65 -3.666 -14.947 -10.784 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.576 -17.676 -10.413 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.559 -17.684 -12.886 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.447 -16.285 -12.237 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.801 -16.074 -12.879 1.00 0.00 H new ATOM 974 N ASN A 66 -1.468 -17.005 -10.841 1.00 0.00 N ATOM 975 CA ASN A 66 -0.127 -17.571 -10.921 1.00 0.00 C ATOM 976 C ASN A 66 0.055 -18.358 -12.215 1.00 0.00 C ATOM 977 O ASN A 66 0.420 -19.534 -12.210 1.00 0.00 O ATOM 978 CB ASN A 66 0.139 -18.479 -9.718 1.00 0.00 C ATOM 979 CG ASN A 66 0.456 -17.693 -8.460 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.606 -17.639 -8.022 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.564 -17.080 -7.872 1.00 0.00 N ATOM 0 H ASN A 66 -1.494 -16.015 -10.598 1.00 0.00 H new ATOM 0 HA ASN A 66 0.588 -16.748 -10.913 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.734 -19.107 -9.540 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.971 -19.146 -9.946 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.411 -16.537 -7.022 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.500 -17.152 -8.270 1.00 0.00 H new ATOM 988 N PRO A 67 -0.204 -17.695 -13.352 1.00 0.00 N ATOM 989 CA PRO A 67 -0.075 -18.312 -14.675 1.00 0.00 C ATOM 990 C PRO A 67 1.379 -18.582 -15.050 1.00 0.00 C ATOM 991 O PRO A 67 1.675 -19.515 -15.794 1.00 0.00 O ATOM 992 CB PRO A 67 -0.683 -17.267 -15.615 1.00 0.00 C ATOM 993 CG PRO A 67 -0.521 -15.972 -14.897 1.00 0.00 C ATOM 994 CD PRO A 67 -0.643 -16.291 -13.433 1.00 0.00 C ATOM 0 HA PRO A 67 -0.566 -19.284 -14.720 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.170 -17.253 -16.577 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.733 -17.479 -15.817 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.446 -15.521 -15.119 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.284 -15.257 -15.205 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.016 -15.638 -12.826 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.667 -16.169 -13.079 1.00 0.00 H new ATOM 1002 N GLY A 68 2.283 -17.758 -14.527 1.00 0.00 N ATOM 1003 CA GLY A 68 3.694 -17.925 -14.818 1.00 0.00 C ATOM 1004 C GLY A 68 4.257 -16.781 -15.638 1.00 0.00 C ATOM 1005 O GLY A 68 5.413 -16.820 -16.061 1.00 0.00 O ATOM 0 H GLY A 68 2.062 -16.978 -13.907 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.248 -18.004 -13.882 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.842 -18.861 -15.356 1.00 0.00 H new ATOM 1009 N LEU A 69 3.439 -15.759 -15.864 1.00 0.00 N ATOM 1010 CA LEU A 69 3.861 -14.599 -16.641 1.00 0.00 C ATOM 1011 C LEU A 69 4.216 -13.431 -15.726 1.00 0.00 C ATOM 1012 O LEU A 69 5.341 -12.931 -15.750 1.00 0.00 O ATOM 1013 CB LEU A 69 2.756 -14.181 -17.613 1.00 0.00 C ATOM 1014 CG LEU A 69 2.280 -15.257 -18.590 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.467 -15.976 -19.212 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.363 -16.247 -17.888 1.00 0.00 C ATOM 0 H LEU A 69 2.480 -15.710 -15.520 1.00 0.00 H new ATOM 0 HA LEU A 69 4.749 -14.877 -17.208 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.899 -13.841 -17.033 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.111 -13.326 -18.189 1.00 0.00 H new ATOM 0 HG LEU A 69 1.716 -14.773 -19.387 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.109 -16.738 -19.904 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.086 -15.258 -19.751 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.058 -16.448 -18.427 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.034 -17.005 -18.599 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.902 -16.725 -17.070 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.495 -15.721 -17.491 1.00 0.00 H new ATOM 1028 N MET A 70 3.252 -13.004 -14.918 1.00 0.00 N ATOM 1029 CA MET A 70 3.465 -11.898 -13.992 1.00 0.00 C ATOM 1030 C MET A 70 4.548 -12.241 -12.975 1.00 0.00 C ATOM 1031 O MET A 70 5.122 -11.356 -12.341 1.00 0.00 O ATOM 1032 CB MET A 70 2.161 -11.551 -13.270 1.00 0.00 C ATOM 1033 CG MET A 70 1.079 -11.014 -14.193 1.00 0.00 C ATOM 1034 SD MET A 70 1.072 -9.213 -14.280 1.00 0.00 S ATOM 1035 CE MET A 70 2.054 -8.941 -15.753 1.00 0.00 C ATOM 0 H MET A 70 2.316 -13.407 -14.886 1.00 0.00 H new ATOM 0 HA MET A 70 3.794 -11.033 -14.568 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.787 -12.442 -12.765 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.369 -10.810 -12.498 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.225 -11.422 -15.193 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.106 -11.361 -13.846 1.00 0.00 H new ATOM 0 HE1 MET A 70 2.009 -7.888 -16.031 1.00 0.00 H new ATOM 0 HE2 MET A 70 3.089 -9.221 -15.557 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.662 -9.549 -16.569 1.00 0.00 H new ATOM 1045 N LYS A 71 4.822 -13.532 -12.823 1.00 0.00 N ATOM 1046 CA LYS A 71 5.837 -13.994 -11.883 1.00 0.00 C ATOM 1047 C LYS A 71 7.188 -13.350 -12.181 1.00 0.00 C ATOM 1048 O LYS A 71 7.854 -12.838 -11.281 1.00 0.00 O ATOM 1049 CB LYS A 71 5.963 -15.518 -11.944 1.00 0.00 C ATOM 1050 CG LYS A 71 4.628 -16.241 -11.889 1.00 0.00 C ATOM 1051 CD LYS A 71 3.835 -15.855 -10.651 1.00 0.00 C ATOM 1052 CE LYS A 71 4.556 -16.267 -9.377 1.00 0.00 C ATOM 1053 NZ LYS A 71 4.871 -15.095 -8.514 1.00 0.00 N ATOM 0 H LYS A 71 4.355 -14.278 -13.339 1.00 0.00 H new ATOM 0 HA LYS A 71 5.527 -13.701 -10.880 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.479 -15.795 -12.863 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.584 -15.856 -11.115 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.048 -16.005 -12.782 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.796 -17.318 -11.893 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.670 -14.778 -10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.853 -16.328 -10.684 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.937 -16.971 -8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.479 -16.787 -9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.108 -15.423 -7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.680 -14.578 -8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.045 -14.465 -8.469 1.00 0.00 H new ATOM 1067 N ASP A 72 7.584 -13.377 -13.448 1.00 0.00 N ATOM 1068 CA ASP A 72 8.854 -12.793 -13.865 1.00 0.00 C ATOM 1069 C ASP A 72 8.708 -11.296 -14.114 1.00 0.00 C ATOM 1070 O ASP A 72 9.671 -10.539 -13.993 1.00 0.00 O ATOM 1071 CB ASP A 72 9.368 -13.486 -15.129 1.00 0.00 C ATOM 1072 CG ASP A 72 10.183 -14.726 -14.819 1.00 0.00 C ATOM 1073 OD1 ASP A 72 10.923 -14.714 -13.812 1.00 0.00 O ATOM 1074 OD2 ASP A 72 10.081 -15.708 -15.582 1.00 0.00 O ATOM 0 H ASP A 72 7.044 -13.797 -14.205 1.00 0.00 H new ATOM 0 HA ASP A 72 9.575 -12.940 -13.061 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.522 -13.759 -15.760 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.979 -12.787 -15.700 1.00 0.00 H new ATOM 1079 N VAL A 73 7.497 -10.874 -14.464 1.00 0.00 N ATOM 1080 CA VAL A 73 7.224 -9.467 -14.730 1.00 0.00 C ATOM 1081 C VAL A 73 7.331 -8.636 -13.457 1.00 0.00 C ATOM 1082 O VAL A 73 8.106 -7.683 -13.389 1.00 0.00 O ATOM 1083 CB VAL A 73 5.823 -9.273 -15.341 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.599 -7.814 -15.708 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.643 -10.171 -16.555 1.00 0.00 C ATOM 0 H VAL A 73 6.689 -11.487 -14.570 1.00 0.00 H new ATOM 0 HA VAL A 73 7.974 -9.129 -15.445 1.00 0.00 H new ATOM 0 HB VAL A 73 5.078 -9.554 -14.597 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.604 -7.696 -16.138 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.683 -7.197 -14.814 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.348 -7.503 -16.436 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.648 -10.021 -16.974 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.394 -9.923 -17.305 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.758 -11.213 -16.257 1.00 0.00 H new ATOM 1095 N ALA A 74 6.547 -9.004 -12.449 1.00 0.00 N ATOM 1096 CA ALA A 74 6.555 -8.294 -11.176 1.00 0.00 C ATOM 1097 C ALA A 74 7.950 -8.287 -10.560 1.00 0.00 C ATOM 1098 O ALA A 74 8.266 -7.442 -9.723 1.00 0.00 O ATOM 1099 CB ALA A 74 5.556 -8.922 -10.215 1.00 0.00 C ATOM 0 H ALA A 74 5.898 -9.790 -12.489 1.00 0.00 H new ATOM 0 HA ALA A 74 6.263 -7.261 -11.363 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.573 -8.382 -9.268 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.556 -8.870 -10.645 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.823 -9.965 -10.042 1.00 0.00 H new ATOM 1105 N LYS A 75 8.782 -9.234 -10.980 1.00 0.00 N ATOM 1106 CA LYS A 75 10.144 -9.338 -10.471 1.00 0.00 C ATOM 1107 C LYS A 75 10.972 -8.123 -10.880 1.00 0.00 C ATOM 1108 O LYS A 75 11.908 -7.734 -10.182 1.00 0.00 O ATOM 1109 CB LYS A 75 10.807 -10.617 -10.986 1.00 0.00 C ATOM 1110 CG LYS A 75 11.835 -10.373 -12.077 1.00 0.00 C ATOM 1111 CD LYS A 75 12.210 -11.662 -12.789 1.00 0.00 C ATOM 1112 CE LYS A 75 12.747 -12.700 -11.816 1.00 0.00 C ATOM 1113 NZ LYS A 75 14.005 -13.324 -12.310 1.00 0.00 N ATOM 0 H LYS A 75 8.536 -9.941 -11.673 1.00 0.00 H new ATOM 0 HA LYS A 75 10.097 -9.374 -9.383 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.289 -11.127 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.037 -11.287 -11.368 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.438 -9.660 -12.799 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.728 -9.923 -11.643 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.336 -12.062 -13.304 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.961 -11.453 -13.551 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.929 -12.231 -10.849 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.995 -13.473 -11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.339 -14.026 -11.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.825 -13.793 -13.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.731 -12.590 -12.436 1.00 0.00 H new ATOM 1127 N VAL A 76 10.619 -7.528 -12.015 1.00 0.00 N ATOM 1128 CA VAL A 76 11.327 -6.356 -12.516 1.00 0.00 C ATOM 1129 C VAL A 76 10.476 -5.099 -12.378 1.00 0.00 C ATOM 1130 O VAL A 76 10.696 -4.108 -13.075 1.00 0.00 O ATOM 1131 CB VAL A 76 11.728 -6.532 -13.993 1.00 0.00 C ATOM 1132 CG1 VAL A 76 12.896 -7.498 -14.119 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.540 -7.008 -14.814 1.00 0.00 C ATOM 0 H VAL A 76 9.847 -7.838 -12.605 1.00 0.00 H new ATOM 0 HA VAL A 76 12.228 -6.249 -11.913 1.00 0.00 H new ATOM 0 HB VAL A 76 12.045 -5.565 -14.383 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.164 -7.609 -15.170 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.751 -7.110 -13.565 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.611 -8.468 -13.713 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.841 -7.127 -15.855 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.189 -7.964 -14.426 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.736 -6.274 -14.751 1.00 0.00 H new ATOM 1143 N PHE A 77 9.504 -5.146 -11.473 1.00 0.00 N ATOM 1144 CA PHE A 77 8.619 -4.010 -11.243 1.00 0.00 C ATOM 1145 C PHE A 77 9.373 -2.856 -10.589 1.00 0.00 C ATOM 1146 O PHE A 77 9.380 -1.738 -11.101 1.00 0.00 O ATOM 1147 CB PHE A 77 7.439 -4.427 -10.362 1.00 0.00 C ATOM 1148 CG PHE A 77 7.747 -4.394 -8.893 1.00 0.00 C ATOM 1149 CD1 PHE A 77 8.915 -4.956 -8.403 1.00 0.00 C ATOM 1150 CD2 PHE A 77 6.867 -3.802 -8.000 1.00 0.00 C ATOM 1151 CE1 PHE A 77 9.201 -4.927 -7.051 1.00 0.00 C ATOM 1152 CE2 PHE A 77 7.148 -3.770 -6.647 1.00 0.00 C ATOM 1153 CZ PHE A 77 8.316 -4.335 -6.172 1.00 0.00 C ATOM 0 H PHE A 77 9.309 -5.958 -10.887 1.00 0.00 H new ATOM 0 HA PHE A 77 8.242 -3.673 -12.209 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.595 -3.767 -10.563 1.00 0.00 H new ATOM 0 HB3 PHE A 77 7.129 -5.435 -10.637 1.00 0.00 H new ATOM 0 HD1 PHE A 77 9.610 -5.422 -9.086 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.952 -3.361 -8.366 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.116 -5.367 -6.683 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.455 -3.304 -5.962 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.536 -4.314 -5.115 1.00 0.00 H new