USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 540 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 73 ASN : amide:sc= 1.4 K(o=1.6,f=-2.3) USER MOD Set 1.2: A 77 ASN : amide:sc= 0.245 K(o=1.6,f=-0.74) USER MOD Set 2.1: A 70 LYS NZ :NH3+ 160:sc= 0.641 (180deg=0) USER MOD Set 2.2: A 74 TYR OH : rot 30:sc= 0.576 USER MOD Set 3.1: A 56 THR OG1 : rot -174:sc= 0.0855 USER MOD Set 3.2: A 59 THR OG1 : rot 111:sc= 0.0888 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 1.01 (180deg=0.97) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.866 K(o=0.87,f=-1) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0383 USER MOD Single : A 53 GLN : amide:sc= 0.867 K(o=0.87,f=0) USER MOD Single : A 54 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 61 SER OG : rot -44:sc= 0.549 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.2) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.529 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 1 -10.227 -20.112 25.996 1.00 0.00 N ATOM 77 CA MET A 1 -9.611 -19.103 26.874 1.00 0.00 C ATOM 78 C MET A 1 -10.235 -17.717 26.629 1.00 0.00 C ATOM 79 O MET A 1 -10.132 -17.165 25.532 1.00 0.00 O ATOM 80 CB MET A 1 -8.084 -19.118 26.668 1.00 0.00 C ATOM 81 CG MET A 1 -7.306 -18.503 27.838 1.00 0.00 C ATOM 82 SD MET A 1 -7.410 -16.700 28.014 1.00 0.00 S ATOM 83 CE MET A 1 -6.505 -16.504 29.575 1.00 0.00 C ATOM 0 H1 MET A 1 -9.793 -21.040 26.176 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.248 -20.164 26.189 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.076 -19.846 25.002 1.00 0.00 H new ATOM 0 HA MET A 1 -9.808 -19.344 27.919 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.754 -20.147 26.523 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.843 -18.574 25.755 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.662 -18.958 28.762 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.256 -18.776 27.732 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.467 -15.448 29.844 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.013 -17.061 30.362 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.490 -16.885 29.458 1.00 0.00 H new ATOM 93 N ASP A 2 -10.922 -17.189 27.648 1.00 0.00 N ATOM 94 CA ASP A 2 -11.657 -15.908 27.675 1.00 0.00 C ATOM 95 C ASP A 2 -12.411 -15.550 26.363 1.00 0.00 C ATOM 96 O ASP A 2 -12.167 -14.488 25.773 1.00 0.00 O ATOM 97 CB ASP A 2 -10.731 -14.781 28.175 1.00 0.00 C ATOM 98 CG ASP A 2 -10.280 -14.914 29.646 1.00 0.00 C ATOM 99 OD1 ASP A 2 -10.674 -15.871 30.357 1.00 0.00 O ATOM 100 OD2 ASP A 2 -9.530 -14.023 30.113 1.00 0.00 O ATOM 0 H ASP A 2 -10.987 -17.676 28.542 1.00 0.00 H new ATOM 0 HA ASP A 2 -12.471 -16.033 28.389 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.845 -14.750 27.540 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.245 -13.827 28.053 1.00 0.00 H new ATOM 105 N PRO A 3 -13.310 -16.417 25.848 1.00 0.00 N ATOM 106 CA PRO A 3 -13.911 -16.251 24.521 1.00 0.00 C ATOM 107 C PRO A 3 -15.077 -15.252 24.459 1.00 0.00 C ATOM 108 O PRO A 3 -15.549 -14.930 23.367 1.00 0.00 O ATOM 109 CB PRO A 3 -14.344 -17.664 24.116 1.00 0.00 C ATOM 110 CG PRO A 3 -14.772 -18.264 25.452 1.00 0.00 C ATOM 111 CD PRO A 3 -13.736 -17.692 26.420 1.00 0.00 C ATOM 0 HA PRO A 3 -13.189 -15.810 23.834 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.162 -17.649 23.396 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.528 -18.225 23.660 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -15.786 -17.970 25.723 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.751 -19.354 25.433 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.165 -17.550 27.412 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.891 -18.371 26.532 1.00 0.00 H new ATOM 119 N LEU A 4 -15.533 -14.753 25.610 1.00 0.00 N ATOM 120 CA LEU A 4 -16.719 -13.894 25.754 1.00 0.00 C ATOM 121 C LEU A 4 -16.509 -12.656 26.644 1.00 0.00 C ATOM 122 O LEU A 4 -17.456 -12.102 27.195 1.00 0.00 O ATOM 123 CB LEU A 4 -17.972 -14.722 26.112 1.00 0.00 C ATOM 124 CG LEU A 4 -18.086 -15.232 27.563 1.00 0.00 C ATOM 125 CD1 LEU A 4 -19.509 -15.742 27.792 1.00 0.00 C ATOM 126 CD2 LEU A 4 -17.130 -16.381 27.866 1.00 0.00 C ATOM 0 H LEU A 4 -15.073 -14.940 26.501 1.00 0.00 H new ATOM 0 HA LEU A 4 -16.900 -13.458 24.771 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -18.851 -14.115 25.897 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -18.009 -15.584 25.446 1.00 0.00 H new ATOM 0 HG LEU A 4 -17.832 -14.397 28.217 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -19.605 -16.106 28.815 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -20.217 -14.930 27.628 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -19.721 -16.554 27.096 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -17.257 -16.696 28.902 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.346 -17.218 27.203 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.103 -16.050 27.711 1.00 0.00 H new ATOM 138 N ASP A 5 -15.262 -12.210 26.789 1.00 0.00 N ATOM 139 CA ASP A 5 -14.871 -11.196 27.781 1.00 0.00 C ATOM 140 C ASP A 5 -14.456 -9.841 27.182 1.00 0.00 C ATOM 141 O ASP A 5 -14.077 -8.920 27.912 1.00 0.00 O ATOM 142 CB ASP A 5 -13.742 -11.787 28.632 1.00 0.00 C ATOM 143 CG ASP A 5 -14.206 -13.013 29.437 1.00 0.00 C ATOM 144 OD1 ASP A 5 -14.186 -14.141 28.889 1.00 0.00 O ATOM 145 OD2 ASP A 5 -14.593 -12.846 30.619 1.00 0.00 O ATOM 0 H ASP A 5 -14.484 -12.542 26.219 1.00 0.00 H new ATOM 0 HA ASP A 5 -15.750 -10.966 28.384 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.912 -12.071 27.985 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.367 -11.025 29.316 1.00 0.00 H new ATOM 150 N LYS A 6 -14.501 -9.732 25.849 1.00 0.00 N ATOM 151 CA LYS A 6 -13.849 -8.653 25.080 1.00 0.00 C ATOM 152 C LYS A 6 -14.673 -8.030 23.940 1.00 0.00 C ATOM 153 O LYS A 6 -14.504 -6.843 23.661 1.00 0.00 O ATOM 154 CB LYS A 6 -12.445 -9.114 24.624 1.00 0.00 C ATOM 155 CG LYS A 6 -12.326 -10.204 23.537 1.00 0.00 C ATOM 156 CD LYS A 6 -12.971 -11.560 23.881 1.00 0.00 C ATOM 157 CE LYS A 6 -12.512 -12.678 22.931 1.00 0.00 C ATOM 158 NZ LYS A 6 -11.225 -13.280 23.371 1.00 0.00 N ATOM 0 H LYS A 6 -14.999 -10.400 25.260 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.756 -7.816 25.772 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.911 -8.234 24.266 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.914 -9.471 25.506 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.780 -9.828 22.620 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.269 -10.368 23.326 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.719 -11.831 24.906 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.056 -11.467 23.833 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.278 -13.452 22.883 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.400 -12.277 21.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.887 -13.945 22.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.519 -12.529 23.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.368 -13.788 24.267 1.00 0.00 H new ATOM 172 N ILE A 7 -15.571 -8.796 23.306 1.00 0.00 N ATOM 173 CA ILE A 7 -16.412 -8.367 22.160 1.00 0.00 C ATOM 174 C ILE A 7 -17.884 -8.828 22.258 1.00 0.00 C ATOM 175 O ILE A 7 -18.618 -8.767 21.271 1.00 0.00 O ATOM 176 CB ILE A 7 -15.764 -8.783 20.809 1.00 0.00 C ATOM 177 CG1 ILE A 7 -15.386 -10.279 20.689 1.00 0.00 C ATOM 178 CG2 ILE A 7 -14.508 -7.937 20.535 1.00 0.00 C ATOM 179 CD1 ILE A 7 -16.564 -11.261 20.674 1.00 0.00 C ATOM 0 H ILE A 7 -15.744 -9.764 23.579 1.00 0.00 H new ATOM 0 HA ILE A 7 -16.451 -7.279 22.203 1.00 0.00 H new ATOM 0 HB ILE A 7 -16.542 -8.602 20.068 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -14.809 -10.417 19.774 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -14.731 -10.538 21.521 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -14.065 -8.240 19.586 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -14.782 -6.883 20.488 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -13.785 -8.088 21.337 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -16.187 -12.280 20.587 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -17.132 -11.162 21.599 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -17.211 -11.040 19.825 1.00 0.00 H new ATOM 191 N ILE A 8 -18.303 -9.330 23.429 1.00 0.00 N ATOM 192 CA ILE A 8 -19.528 -10.126 23.650 1.00 0.00 C ATOM 193 C ILE A 8 -20.796 -9.559 22.973 1.00 0.00 C ATOM 194 O ILE A 8 -21.370 -8.553 23.397 1.00 0.00 O ATOM 195 CB ILE A 8 -19.716 -10.412 25.163 1.00 0.00 C ATOM 196 CG1 ILE A 8 -20.885 -11.401 25.385 1.00 0.00 C ATOM 197 CG2 ILE A 8 -19.860 -9.147 26.036 1.00 0.00 C ATOM 198 CD1 ILE A 8 -21.055 -11.877 26.835 1.00 0.00 C ATOM 0 H ILE A 8 -17.775 -9.188 24.290 1.00 0.00 H new ATOM 0 HA ILE A 8 -19.379 -11.077 23.139 1.00 0.00 H new ATOM 0 HB ILE A 8 -18.790 -10.876 25.502 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -21.811 -10.926 25.062 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -20.733 -12.271 24.746 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -19.987 -9.437 27.079 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -18.965 -8.533 25.937 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -20.730 -8.577 25.709 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -21.897 -12.566 26.895 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -20.147 -12.385 27.160 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -21.242 -11.019 27.480 1.00 0.00 H new ATOM 210 N ASN A 9 -21.236 -10.235 21.906 1.00 0.00 N ATOM 211 CA ASN A 9 -22.460 -9.944 21.155 1.00 0.00 C ATOM 212 C ASN A 9 -22.879 -11.163 20.311 1.00 0.00 C ATOM 213 O ASN A 9 -22.276 -11.442 19.274 1.00 0.00 O ATOM 214 CB ASN A 9 -22.206 -8.723 20.247 1.00 0.00 C ATOM 215 CG ASN A 9 -23.430 -8.325 19.446 1.00 0.00 C ATOM 216 OD1 ASN A 9 -23.487 -8.439 18.230 1.00 0.00 O ATOM 217 ND2 ASN A 9 -24.457 -7.840 20.104 1.00 0.00 N ATOM 0 H ASN A 9 -20.727 -11.033 21.527 1.00 0.00 H new ATOM 0 HA ASN A 9 -23.271 -9.723 21.850 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -21.888 -7.880 20.860 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -21.387 -8.948 19.564 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -25.299 -7.560 19.601 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -24.413 -7.743 21.118 1.00 0.00 H new ATOM 224 N ASP A 10 -23.912 -11.890 20.749 1.00 0.00 N ATOM 225 CA ASP A 10 -24.472 -13.026 19.992 1.00 0.00 C ATOM 226 C ASP A 10 -25.984 -13.255 20.207 1.00 0.00 C ATOM 227 O ASP A 10 -26.546 -14.275 19.803 1.00 0.00 O ATOM 228 CB ASP A 10 -23.640 -14.280 20.322 1.00 0.00 C ATOM 229 CG ASP A 10 -23.882 -15.460 19.360 1.00 0.00 C ATOM 230 OD1 ASP A 10 -24.118 -16.596 19.842 1.00 0.00 O ATOM 231 OD2 ASP A 10 -23.775 -15.271 18.123 1.00 0.00 O ATOM 0 H ASP A 10 -24.386 -11.712 21.635 1.00 0.00 H new ATOM 0 HA ASP A 10 -24.399 -12.790 18.930 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -22.582 -14.018 20.301 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -23.870 -14.599 21.339 1.00 0.00 H new ATOM 236 N ILE A 11 -26.644 -12.306 20.877 1.00 0.00 N ATOM 237 CA ILE A 11 -28.036 -12.438 21.369 1.00 0.00 C ATOM 238 C ILE A 11 -28.795 -11.100 21.456 1.00 0.00 C ATOM 239 O ILE A 11 -29.715 -10.920 22.257 1.00 0.00 O ATOM 240 CB ILE A 11 -28.037 -13.287 22.673 1.00 0.00 C ATOM 241 CG1 ILE A 11 -29.416 -13.919 22.967 1.00 0.00 C ATOM 242 CG2 ILE A 11 -27.465 -12.507 23.872 1.00 0.00 C ATOM 243 CD1 ILE A 11 -29.366 -15.025 24.030 1.00 0.00 C ATOM 0 H ILE A 11 -26.226 -11.403 21.102 1.00 0.00 H new ATOM 0 HA ILE A 11 -28.623 -12.980 20.628 1.00 0.00 H new ATOM 0 HB ILE A 11 -27.360 -14.124 22.503 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -30.102 -13.139 23.297 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -29.823 -14.331 22.044 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -27.485 -13.139 24.760 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -26.437 -12.214 23.659 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -28.067 -11.616 24.047 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -30.368 -15.424 24.187 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -28.705 -15.824 23.693 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -28.989 -14.613 24.966 1.00 0.00 H new ATOM 255 N LYS A 12 -28.404 -10.144 20.607 1.00 0.00 N ATOM 256 CA LYS A 12 -28.967 -8.783 20.571 1.00 0.00 C ATOM 257 C LYS A 12 -29.135 -8.231 19.148 1.00 0.00 C ATOM 258 O LYS A 12 -30.154 -7.610 18.844 1.00 0.00 O ATOM 259 CB LYS A 12 -28.064 -7.896 21.446 1.00 0.00 C ATOM 260 CG LYS A 12 -28.545 -6.445 21.562 1.00 0.00 C ATOM 261 CD LYS A 12 -27.574 -5.636 22.433 1.00 0.00 C ATOM 262 CE LYS A 12 -27.913 -4.144 22.403 1.00 0.00 C ATOM 263 NZ LYS A 12 -29.137 -3.821 23.186 1.00 0.00 N ATOM 0 H LYS A 12 -27.674 -10.294 19.911 1.00 0.00 H new ATOM 0 HA LYS A 12 -29.983 -8.797 20.965 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -28.003 -8.329 22.444 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -27.055 -7.902 21.033 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -28.616 -5.997 20.571 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -29.544 -6.418 21.997 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -27.613 -6.000 23.460 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -26.554 -5.787 22.080 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -27.072 -3.576 22.799 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -28.053 -3.827 21.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -29.323 -2.799 23.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -29.948 -4.341 22.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -28.997 -4.097 24.179 1.00 0.00 H new ATOM 608 N LEU A 35 -9.679 4.116 -0.738 1.00 0.00 N ATOM 609 CA LEU A 35 -9.116 4.388 0.591 1.00 0.00 C ATOM 610 C LEU A 35 -9.702 5.688 1.182 1.00 0.00 C ATOM 611 O LEU A 35 -10.233 6.529 0.451 1.00 0.00 O ATOM 612 CB LEU A 35 -7.576 4.453 0.492 1.00 0.00 C ATOM 613 CG LEU A 35 -6.900 3.139 0.041 1.00 0.00 C ATOM 614 CD1 LEU A 35 -6.547 3.160 -1.449 1.00 0.00 C ATOM 615 CD2 LEU A 35 -5.603 2.901 0.818 1.00 0.00 C ATOM 0 HA LEU A 35 -9.387 3.579 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.304 5.244 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.175 4.736 1.465 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.619 2.343 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.074 2.217 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.455 3.295 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.860 3.983 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.144 1.970 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.916 3.728 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.824 2.835 1.883 1.00 0.00 H new ATOM 627 N SER A 36 -9.575 5.868 2.503 1.00 0.00 N ATOM 628 CA SER A 36 -9.903 7.147 3.173 1.00 0.00 C ATOM 629 C SER A 36 -8.874 8.227 2.803 1.00 0.00 C ATOM 630 O SER A 36 -7.813 7.898 2.283 1.00 0.00 O ATOM 631 CB SER A 36 -9.990 6.941 4.691 1.00 0.00 C ATOM 632 OG SER A 36 -10.500 8.104 5.322 1.00 0.00 O ATOM 0 H SER A 36 -9.245 5.142 3.139 1.00 0.00 H new ATOM 0 HA SER A 36 -10.877 7.492 2.827 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.633 6.089 4.912 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.003 6.707 5.089 1.00 0.00 H new ATOM 0 HG SER A 36 -10.551 7.956 6.289 1.00 0.00 H new ATOM 638 N GLU A 37 -9.133 9.512 3.054 1.00 0.00 N ATOM 639 CA GLU A 37 -8.259 10.609 2.595 1.00 0.00 C ATOM 640 C GLU A 37 -6.804 10.461 3.081 1.00 0.00 C ATOM 641 O GLU A 37 -5.871 10.549 2.282 1.00 0.00 O ATOM 642 CB GLU A 37 -8.864 11.955 3.029 1.00 0.00 C ATOM 643 CG GLU A 37 -8.094 13.159 2.469 1.00 0.00 C ATOM 644 CD GLU A 37 -8.799 14.482 2.826 1.00 0.00 C ATOM 645 OE1 GLU A 37 -8.543 15.038 3.923 1.00 0.00 O ATOM 646 OE2 GLU A 37 -9.612 14.983 2.010 1.00 0.00 O ATOM 0 H GLU A 37 -9.949 9.827 3.578 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.209 10.566 1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.901 12.006 2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.874 12.010 4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.080 13.164 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.009 13.069 1.386 1.00 0.00 H new ATOM 653 N GLN A 38 -6.595 10.150 4.366 1.00 0.00 N ATOM 654 CA GLN A 38 -5.255 9.935 4.929 1.00 0.00 C ATOM 655 C GLN A 38 -4.656 8.598 4.459 1.00 0.00 C ATOM 656 O GLN A 38 -3.492 8.540 4.064 1.00 0.00 O ATOM 657 CB GLN A 38 -5.338 10.005 6.463 1.00 0.00 C ATOM 658 CG GLN A 38 -3.950 10.091 7.117 1.00 0.00 C ATOM 659 CD GLN A 38 -4.007 9.749 8.602 1.00 0.00 C ATOM 660 OE1 GLN A 38 -4.054 10.609 9.473 1.00 0.00 O ATOM 661 NE2 GLN A 38 -4.021 8.477 8.947 1.00 0.00 N ATOM 0 H GLN A 38 -7.349 10.040 5.045 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.587 10.719 4.571 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.929 10.873 6.754 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.860 9.124 6.837 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.266 9.409 6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.549 11.096 6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.982 7.753 8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.071 8.216 9.932 1.00 0.00 H new ATOM 670 N GLN A 39 -5.465 7.532 4.450 1.00 0.00 N ATOM 671 CA GLN A 39 -5.090 6.202 3.948 1.00 0.00 C ATOM 672 C GLN A 39 -4.580 6.277 2.497 1.00 0.00 C ATOM 673 O GLN A 39 -3.527 5.729 2.174 1.00 0.00 O ATOM 674 CB GLN A 39 -6.300 5.264 4.064 1.00 0.00 C ATOM 675 CG GLN A 39 -6.626 4.809 5.499 1.00 0.00 C ATOM 676 CD GLN A 39 -5.876 3.546 5.932 1.00 0.00 C ATOM 677 OE1 GLN A 39 -5.667 2.612 5.171 1.00 0.00 O ATOM 678 NE2 GLN A 39 -5.480 3.445 7.180 1.00 0.00 N ATOM 0 H GLN A 39 -6.422 7.570 4.800 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.272 5.809 4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.174 5.767 3.650 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.119 4.382 3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.386 5.617 6.190 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.698 4.629 5.578 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.645 4.213 7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.008 2.599 7.498 1.00 0.00 H new ATOM 687 N LYS A 40 -5.269 7.030 1.634 1.00 0.00 N ATOM 688 CA LYS A 40 -4.903 7.258 0.233 1.00 0.00 C ATOM 689 C LYS A 40 -3.564 7.983 0.113 1.00 0.00 C ATOM 690 O LYS A 40 -2.733 7.555 -0.681 1.00 0.00 O ATOM 691 CB LYS A 40 -6.040 8.053 -0.432 1.00 0.00 C ATOM 692 CG LYS A 40 -5.837 8.253 -1.941 1.00 0.00 C ATOM 693 CD LYS A 40 -6.953 9.113 -2.553 1.00 0.00 C ATOM 694 CE LYS A 40 -8.325 8.424 -2.522 1.00 0.00 C ATOM 695 NZ LYS A 40 -9.361 9.258 -3.189 1.00 0.00 N ATOM 0 H LYS A 40 -6.126 7.514 1.901 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.775 6.303 -0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.984 7.534 -0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.123 9.028 0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.872 8.728 -2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.811 7.283 -2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.014 10.058 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.696 9.352 -3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.260 7.455 -3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.617 8.235 -1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.277 8.768 -3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.438 10.173 -2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.093 9.417 -4.181 1.00 0.00 H new ATOM 709 N ILE A 41 -3.313 9.023 0.915 1.00 0.00 N ATOM 710 CA ILE A 41 -2.031 9.750 0.893 1.00 0.00 C ATOM 711 C ILE A 41 -0.883 8.858 1.368 1.00 0.00 C ATOM 712 O ILE A 41 0.167 8.878 0.740 1.00 0.00 O ATOM 713 CB ILE A 41 -2.085 11.041 1.730 1.00 0.00 C ATOM 714 CG1 ILE A 41 -3.137 12.029 1.169 1.00 0.00 C ATOM 715 CG2 ILE A 41 -0.718 11.753 1.795 1.00 0.00 C ATOM 716 CD1 ILE A 41 -3.615 13.058 2.202 1.00 0.00 C ATOM 0 H ILE A 41 -3.983 9.385 1.593 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.847 10.034 -0.143 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.367 10.736 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.712 12.554 0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.996 11.466 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.807 12.658 2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.018 11.088 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.397 12.017 0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.351 13.719 1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.069 12.541 3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.766 13.646 2.550 1.00 0.00 H new ATOM 728 N ILE A 42 -1.048 8.049 2.422 1.00 0.00 N ATOM 729 CA ILE A 42 0.030 7.158 2.896 1.00 0.00 C ATOM 730 C ILE A 42 0.327 6.069 1.852 1.00 0.00 C ATOM 731 O ILE A 42 1.485 5.777 1.556 1.00 0.00 O ATOM 732 CB ILE A 42 -0.337 6.525 4.253 1.00 0.00 C ATOM 733 CG1 ILE A 42 -0.541 7.572 5.368 1.00 0.00 C ATOM 734 CG2 ILE A 42 0.755 5.528 4.685 1.00 0.00 C ATOM 735 CD1 ILE A 42 -1.460 7.020 6.465 1.00 0.00 C ATOM 0 H ILE A 42 -1.911 7.990 2.963 1.00 0.00 H new ATOM 0 HA ILE A 42 0.930 7.757 3.035 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.287 6.010 4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.423 7.846 5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.973 8.480 4.947 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.486 5.087 5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.846 4.741 3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.707 6.050 4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.592 7.773 7.242 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.430 6.769 6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.013 6.126 6.898 1.00 0.00 H new ATOM 747 N LEU A 43 -0.722 5.497 1.257 1.00 0.00 N ATOM 748 CA LEU A 43 -0.616 4.512 0.177 1.00 0.00 C ATOM 749 C LEU A 43 0.114 5.108 -1.040 1.00 0.00 C ATOM 750 O LEU A 43 1.056 4.513 -1.569 1.00 0.00 O ATOM 751 CB LEU A 43 -2.049 4.026 -0.130 1.00 0.00 C ATOM 752 CG LEU A 43 -2.260 2.973 -1.232 1.00 0.00 C ATOM 753 CD1 LEU A 43 -2.236 3.559 -2.643 1.00 0.00 C ATOM 754 CD2 LEU A 43 -1.283 1.798 -1.109 1.00 0.00 C ATOM 0 H LEU A 43 -1.686 5.709 1.516 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.010 3.654 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.465 3.623 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.644 4.901 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.267 2.589 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.391 2.762 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.029 4.300 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.271 4.033 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.472 1.082 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.260 2.166 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.421 1.309 -0.145 1.00 0.00 H new ATOM 766 N ALA A 44 -0.281 6.315 -1.447 1.00 0.00 N ATOM 767 CA ALA A 44 0.285 7.037 -2.574 1.00 0.00 C ATOM 768 C ALA A 44 1.727 7.481 -2.312 1.00 0.00 C ATOM 769 O ALA A 44 2.596 7.205 -3.133 1.00 0.00 O ATOM 770 CB ALA A 44 -0.608 8.243 -2.863 1.00 0.00 C ATOM 0 H ALA A 44 -1.029 6.829 -0.982 1.00 0.00 H new ATOM 0 HA ALA A 44 0.322 6.373 -3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.203 8.802 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.615 7.901 -3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.644 8.888 -1.985 1.00 0.00 H new ATOM 776 N GLU A 45 2.016 8.124 -1.174 1.00 0.00 N ATOM 777 CA GLU A 45 3.358 8.642 -0.872 1.00 0.00 C ATOM 778 C GLU A 45 4.415 7.531 -0.739 1.00 0.00 C ATOM 779 O GLU A 45 5.593 7.773 -1.002 1.00 0.00 O ATOM 780 CB GLU A 45 3.305 9.586 0.345 1.00 0.00 C ATOM 781 CG GLU A 45 3.326 8.929 1.736 1.00 0.00 C ATOM 782 CD GLU A 45 4.752 8.767 2.308 1.00 0.00 C ATOM 783 OE1 GLU A 45 5.199 7.618 2.534 1.00 0.00 O ATOM 784 OE2 GLU A 45 5.418 9.795 2.586 1.00 0.00 O ATOM 0 H GLU A 45 1.331 8.300 -0.439 1.00 0.00 H new ATOM 0 HA GLU A 45 3.690 9.231 -1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.151 10.271 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.400 10.189 0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.731 9.530 2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.852 7.950 1.676 1.00 0.00 H new ATOM 791 N TYR A 46 3.992 6.301 -0.426 1.00 0.00 N ATOM 792 CA TYR A 46 4.846 5.116 -0.402 1.00 0.00 C ATOM 793 C TYR A 46 5.238 4.696 -1.830 1.00 0.00 C ATOM 794 O TYR A 46 6.411 4.719 -2.200 1.00 0.00 O ATOM 795 CB TYR A 46 4.101 4.015 0.375 1.00 0.00 C ATOM 796 CG TYR A 46 4.811 2.697 0.628 1.00 0.00 C ATOM 797 CD1 TYR A 46 4.060 1.612 1.125 1.00 0.00 C ATOM 798 CD2 TYR A 46 6.199 2.552 0.423 1.00 0.00 C ATOM 799 CE1 TYR A 46 4.691 0.388 1.424 1.00 0.00 C ATOM 800 CE2 TYR A 46 6.835 1.339 0.746 1.00 0.00 C ATOM 801 CZ TYR A 46 6.083 0.255 1.240 1.00 0.00 C ATOM 802 OH TYR A 46 6.699 -0.924 1.509 1.00 0.00 O ATOM 0 H TYR A 46 3.023 6.101 -0.177 1.00 0.00 H new ATOM 0 HA TYR A 46 5.788 5.321 0.107 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.815 4.428 1.342 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.179 3.796 -0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.996 1.720 1.277 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.774 3.372 0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.111 -0.445 1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.902 1.239 0.615 1.00 0.00 H new ATOM 0 HH TYR A 46 7.658 -0.841 1.326 1.00 0.00 H new ATOM 812 N ILE A 47 4.251 4.388 -2.671 1.00 0.00 N ATOM 813 CA ILE A 47 4.372 3.957 -4.065 1.00 0.00 C ATOM 814 C ILE A 47 5.018 5.033 -4.943 1.00 0.00 C ATOM 815 O ILE A 47 5.767 4.704 -5.855 1.00 0.00 O ATOM 816 CB ILE A 47 2.945 3.644 -4.548 1.00 0.00 C ATOM 817 CG1 ILE A 47 2.489 2.321 -3.896 1.00 0.00 C ATOM 818 CG2 ILE A 47 2.813 3.592 -6.081 1.00 0.00 C ATOM 819 CD1 ILE A 47 1.002 2.007 -4.084 1.00 0.00 C ATOM 0 H ILE A 47 3.276 4.436 -2.376 1.00 0.00 H new ATOM 0 HA ILE A 47 5.020 3.083 -4.137 1.00 0.00 H new ATOM 0 HB ILE A 47 2.295 4.462 -4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.077 1.503 -4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.708 2.361 -2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.781 3.367 -6.350 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.096 4.556 -6.503 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.468 2.816 -6.477 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.765 1.062 -3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.403 2.803 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.778 1.932 -5.148 1.00 0.00 H new ATOM 831 N ALA A 48 4.763 6.311 -4.673 1.00 0.00 N ATOM 832 CA ALA A 48 5.366 7.428 -5.392 1.00 0.00 C ATOM 833 C ALA A 48 6.874 7.551 -5.106 1.00 0.00 C ATOM 834 O ALA A 48 7.645 7.912 -5.995 1.00 0.00 O ATOM 835 CB ALA A 48 4.614 8.701 -4.995 1.00 0.00 C ATOM 0 H ALA A 48 4.121 6.603 -3.936 1.00 0.00 H new ATOM 0 HA ALA A 48 5.280 7.261 -6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.043 9.555 -5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.563 8.602 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.700 8.854 -3.919 1.00 0.00 H new ATOM 841 N GLU A 49 7.307 7.211 -3.887 1.00 0.00 N ATOM 842 CA GLU A 49 8.716 7.259 -3.481 1.00 0.00 C ATOM 843 C GLU A 49 9.477 5.975 -3.859 1.00 0.00 C ATOM 844 O GLU A 49 10.631 6.059 -4.284 1.00 0.00 O ATOM 845 CB GLU A 49 8.792 7.548 -1.972 1.00 0.00 C ATOM 846 CG GLU A 49 10.201 7.880 -1.456 1.00 0.00 C ATOM 847 CD GLU A 49 10.702 9.247 -1.968 1.00 0.00 C ATOM 848 OE1 GLU A 49 10.361 10.291 -1.358 1.00 0.00 O ATOM 849 OE2 GLU A 49 11.455 9.292 -2.972 1.00 0.00 O ATOM 0 H GLU A 49 6.682 6.891 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 49 9.210 8.064 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.129 8.381 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.415 6.681 -1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.196 7.882 -0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.894 7.100 -1.770 1.00 0.00 H new ATOM 856 N VAL A 50 8.848 4.792 -3.745 1.00 0.00 N ATOM 857 CA VAL A 50 9.523 3.490 -3.955 1.00 0.00 C ATOM 858 C VAL A 50 9.111 2.774 -5.250 1.00 0.00 C ATOM 859 O VAL A 50 9.691 1.750 -5.609 1.00 0.00 O ATOM 860 CB VAL A 50 9.465 2.581 -2.711 1.00 0.00 C ATOM 861 CG1 VAL A 50 9.677 3.343 -1.396 1.00 0.00 C ATOM 862 CG2 VAL A 50 8.184 1.746 -2.611 1.00 0.00 C ATOM 0 H VAL A 50 7.860 4.707 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 50 10.575 3.734 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 50 10.300 1.896 -2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.624 2.646 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.655 3.823 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.902 4.101 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.218 1.133 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.320 2.409 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.101 1.101 -3.486 1.00 0.00 H new ATOM 872 N GLY A 51 8.135 3.319 -5.978 1.00 0.00 N ATOM 873 CA GLY A 51 7.893 3.049 -7.405 1.00 0.00 C ATOM 874 C GLY A 51 6.990 1.851 -7.711 1.00 0.00 C ATOM 875 O GLY A 51 7.133 1.240 -8.769 1.00 0.00 O ATOM 0 H GLY A 51 7.468 3.982 -5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.450 3.938 -7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.854 2.890 -7.894 1.00 0.00 H new ATOM 879 N LEU A 52 6.115 1.469 -6.770 1.00 0.00 N ATOM 880 CA LEU A 52 5.237 0.275 -6.796 1.00 0.00 C ATOM 881 C LEU A 52 5.979 -1.077 -6.983 1.00 0.00 C ATOM 882 O LEU A 52 5.368 -2.118 -7.222 1.00 0.00 O ATOM 883 CB LEU A 52 4.098 0.483 -7.827 1.00 0.00 C ATOM 884 CG LEU A 52 2.676 0.138 -7.335 1.00 0.00 C ATOM 885 CD1 LEU A 52 1.647 0.628 -8.353 1.00 0.00 C ATOM 886 CD2 LEU A 52 2.431 -1.352 -7.107 1.00 0.00 C ATOM 0 H LEU A 52 5.988 2.013 -5.917 1.00 0.00 H new ATOM 0 HA LEU A 52 4.802 0.185 -5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.109 1.525 -8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.315 -0.123 -8.707 1.00 0.00 H new ATOM 0 HG LEU A 52 2.575 0.636 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.644 0.383 -8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.737 1.708 -8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.825 0.143 -9.313 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.408 -1.504 -6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.584 -1.893 -8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.126 -1.724 -6.354 1.00 0.00 H new ATOM 898 N GLN A 53 7.308 -1.067 -6.882 1.00 0.00 N ATOM 899 CA GLN A 53 8.204 -2.187 -7.231 1.00 0.00 C ATOM 900 C GLN A 53 9.137 -2.610 -6.082 1.00 0.00 C ATOM 901 O GLN A 53 9.838 -3.617 -6.186 1.00 0.00 O ATOM 902 CB GLN A 53 8.970 -1.833 -8.519 1.00 0.00 C ATOM 903 CG GLN A 53 10.024 -0.730 -8.327 1.00 0.00 C ATOM 904 CD GLN A 53 10.436 -0.098 -9.653 1.00 0.00 C ATOM 905 OE1 GLN A 53 11.502 -0.349 -10.200 1.00 0.00 O ATOM 906 NE2 GLN A 53 9.600 0.749 -10.212 1.00 0.00 N ATOM 0 H GLN A 53 7.817 -0.251 -6.543 1.00 0.00 H new ATOM 0 HA GLN A 53 7.590 -3.069 -7.412 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.460 -2.730 -8.898 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.257 -1.514 -9.279 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.627 0.040 -7.666 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.902 -1.149 -7.836 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.711 0.961 -9.760 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.841 1.194 -11.098 1.00 0.00 H new ATOM 915 N ASN A 54 9.116 -1.856 -4.977 1.00 0.00 N ATOM 916 CA ASN A 54 9.819 -2.164 -3.725 1.00 0.00 C ATOM 917 C ASN A 54 8.861 -2.275 -2.519 1.00 0.00 C ATOM 918 O ASN A 54 9.314 -2.492 -1.393 1.00 0.00 O ATOM 919 CB ASN A 54 10.917 -1.113 -3.486 1.00 0.00 C ATOM 920 CG ASN A 54 11.961 -1.038 -4.586 1.00 0.00 C ATOM 921 OD1 ASN A 54 12.870 -1.852 -4.671 1.00 0.00 O ATOM 922 ND2 ASN A 54 11.876 -0.057 -5.457 1.00 0.00 N ATOM 0 H ASN A 54 8.590 -0.983 -4.928 1.00 0.00 H new ATOM 0 HA ASN A 54 10.280 -3.146 -3.825 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.449 -0.134 -3.378 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.416 -1.334 -2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.567 0.025 -6.202 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.119 0.623 -5.387 1.00 0.00 H new ATOM 929 N ILE A 55 7.546 -2.134 -2.743 1.00 0.00 N ATOM 930 CA ILE A 55 6.528 -2.346 -1.703 1.00 0.00 C ATOM 931 C ILE A 55 6.329 -3.840 -1.420 1.00 0.00 C ATOM 932 O ILE A 55 6.536 -4.687 -2.293 1.00 0.00 O ATOM 933 CB ILE A 55 5.180 -1.642 -1.997 1.00 0.00 C ATOM 934 CG1 ILE A 55 4.378 -2.275 -3.153 1.00 0.00 C ATOM 935 CG2 ILE A 55 5.379 -0.139 -2.233 1.00 0.00 C ATOM 936 CD1 ILE A 55 3.004 -1.620 -3.334 1.00 0.00 C ATOM 0 H ILE A 55 7.159 -1.870 -3.649 1.00 0.00 H new ATOM 0 HA ILE A 55 6.917 -1.871 -0.802 1.00 0.00 H new ATOM 0 HB ILE A 55 4.577 -1.786 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.946 -2.184 -4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.248 -3.340 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.415 0.328 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.821 0.313 -1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.042 0.011 -3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.478 -2.100 -4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.423 -1.734 -2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.132 -0.560 -3.553 1.00 0.00 H new ATOM 948 N THR A 56 5.878 -4.160 -0.209 1.00 0.00 N ATOM 949 CA THR A 56 5.572 -5.521 0.241 1.00 0.00 C ATOM 950 C THR A 56 4.264 -5.509 1.013 1.00 0.00 C ATOM 951 O THR A 56 4.024 -4.580 1.775 1.00 0.00 O ATOM 952 CB THR A 56 6.698 -6.076 1.142 1.00 0.00 C ATOM 953 OG1 THR A 56 7.330 -5.062 1.893 1.00 0.00 O ATOM 954 CG2 THR A 56 7.777 -6.776 0.320 1.00 0.00 C ATOM 0 H THR A 56 5.709 -3.458 0.511 1.00 0.00 H new ATOM 0 HA THR A 56 5.487 -6.165 -0.634 1.00 0.00 H new ATOM 0 HB THR A 56 6.212 -6.783 1.815 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.094 -5.441 2.376 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.553 -7.154 0.985 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.334 -7.606 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.215 -6.068 -0.383 1.00 0.00 H new ATOM 962 N ALA A 57 3.424 -6.537 0.877 1.00 0.00 N ATOM 963 CA ALA A 57 2.138 -6.626 1.568 1.00 0.00 C ATOM 964 C ALA A 57 2.292 -6.644 3.096 1.00 0.00 C ATOM 965 O ALA A 57 1.406 -6.175 3.797 1.00 0.00 O ATOM 966 CB ALA A 57 1.416 -7.884 1.083 1.00 0.00 C ATOM 0 H ALA A 57 3.620 -7.339 0.278 1.00 0.00 H new ATOM 0 HA ALA A 57 1.554 -5.736 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.453 -7.968 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.257 -7.820 0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.022 -8.761 1.309 1.00 0.00 H new ATOM 972 N ILE A 58 3.435 -7.121 3.600 1.00 0.00 N ATOM 973 CA ILE A 58 3.808 -7.107 5.022 1.00 0.00 C ATOM 974 C ILE A 58 3.979 -5.664 5.504 1.00 0.00 C ATOM 975 O ILE A 58 3.484 -5.272 6.556 1.00 0.00 O ATOM 976 CB ILE A 58 5.139 -7.873 5.214 1.00 0.00 C ATOM 977 CG1 ILE A 58 4.997 -9.411 5.092 1.00 0.00 C ATOM 978 CG2 ILE A 58 5.735 -7.588 6.611 1.00 0.00 C ATOM 979 CD1 ILE A 58 4.547 -9.957 3.731 1.00 0.00 C ATOM 0 H ILE A 58 4.152 -7.543 3.010 1.00 0.00 H new ATOM 0 HA ILE A 58 3.020 -7.588 5.602 1.00 0.00 H new ATOM 0 HB ILE A 58 5.786 -7.515 4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.958 -9.862 5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.285 -9.748 5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.670 -8.136 6.726 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.925 -6.520 6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.031 -7.907 7.379 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.487 -11.044 3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.567 -9.550 3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.267 -9.666 2.966 1.00 0.00 H new ATOM 991 N THR A 59 4.712 -4.866 4.735 1.00 0.00 N ATOM 992 CA THR A 59 5.025 -3.484 5.089 1.00 0.00 C ATOM 993 C THR A 59 3.817 -2.606 4.812 1.00 0.00 C ATOM 994 O THR A 59 3.421 -1.830 5.668 1.00 0.00 O ATOM 995 CB THR A 59 6.276 -3.034 4.333 1.00 0.00 C ATOM 996 OG1 THR A 59 7.371 -3.827 4.746 1.00 0.00 O ATOM 997 CG2 THR A 59 6.649 -1.583 4.614 1.00 0.00 C ATOM 0 H THR A 59 5.109 -5.161 3.843 1.00 0.00 H new ATOM 0 HA THR A 59 5.247 -3.398 6.153 1.00 0.00 H new ATOM 0 HB THR A 59 6.056 -3.140 3.271 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.651 -4.408 4.008 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.544 -1.322 4.050 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.828 -0.932 4.314 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.842 -1.457 5.679 1.00 0.00 H new ATOM 1005 N LEU A 60 3.142 -2.790 3.679 1.00 0.00 N ATOM 1006 CA LEU A 60 1.909 -2.101 3.316 1.00 0.00 C ATOM 1007 C LEU A 60 0.772 -2.379 4.317 1.00 0.00 C ATOM 1008 O LEU A 60 0.070 -1.442 4.697 1.00 0.00 O ATOM 1009 CB LEU A 60 1.561 -2.517 1.873 1.00 0.00 C ATOM 1010 CG LEU A 60 0.540 -1.616 1.166 1.00 0.00 C ATOM 1011 CD1 LEU A 60 1.139 -0.236 0.911 1.00 0.00 C ATOM 1012 CD2 LEU A 60 0.163 -2.222 -0.182 1.00 0.00 C ATOM 0 H LEU A 60 3.452 -3.448 2.963 1.00 0.00 H new ATOM 0 HA LEU A 60 2.048 -1.021 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.478 -2.533 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.175 -3.536 1.888 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.339 -1.529 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.404 0.393 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.419 0.220 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.023 -0.334 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.562 -1.579 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.055 -2.312 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.273 -3.209 -0.028 1.00 0.00 H new ATOM 1024 N SER A 61 0.659 -3.606 4.849 1.00 0.00 N ATOM 1025 CA SER A 61 -0.283 -3.929 5.937 1.00 0.00 C ATOM 1026 C SER A 61 0.004 -3.174 7.241 1.00 0.00 C ATOM 1027 O SER A 61 -0.881 -2.972 8.072 1.00 0.00 O ATOM 1028 CB SER A 61 -0.405 -5.434 6.195 1.00 0.00 C ATOM 1029 OG SER A 61 0.670 -5.940 6.958 1.00 0.00 O ATOM 0 H SER A 61 1.216 -4.402 4.539 1.00 0.00 H new ATOM 0 HA SER A 61 -1.249 -3.578 5.573 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.342 -5.636 6.714 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.449 -5.961 5.242 1.00 0.00 H new ATOM 0 HG SER A 61 1.512 -5.565 6.625 1.00 0.00 H new ATOM 1035 N LYS A 62 1.233 -2.684 7.384 1.00 0.00 N ATOM 1036 CA LYS A 62 1.759 -2.000 8.572 1.00 0.00 C ATOM 1037 C LYS A 62 1.935 -0.481 8.407 1.00 0.00 C ATOM 1038 O LYS A 62 1.851 0.238 9.402 1.00 0.00 O ATOM 1039 CB LYS A 62 3.043 -2.703 9.040 1.00 0.00 C ATOM 1040 CG LYS A 62 2.675 -3.984 9.810 1.00 0.00 C ATOM 1041 CD LYS A 62 3.845 -4.956 9.984 1.00 0.00 C ATOM 1042 CE LYS A 62 5.096 -4.386 10.665 1.00 0.00 C ATOM 1043 NZ LYS A 62 4.871 -4.089 12.106 1.00 0.00 N ATOM 0 H LYS A 62 1.927 -2.755 6.640 1.00 0.00 H new ATOM 0 HA LYS A 62 1.003 -2.082 9.353 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.669 -2.949 8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.623 -2.036 9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.293 -3.709 10.793 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.866 -4.493 9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.498 -5.812 10.563 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.129 -5.331 9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.916 -5.097 10.567 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.402 -3.474 10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.744 -3.706 12.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.107 -3.390 12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.605 -4.963 12.603 1.00 0.00 H new ATOM 1057 N LYS A 63 2.076 0.032 7.175 1.00 0.00 N ATOM 1058 CA LYS A 63 2.052 1.470 6.841 1.00 0.00 C ATOM 1059 C LYS A 63 0.666 2.072 7.092 1.00 0.00 C ATOM 1060 O LYS A 63 0.537 3.224 7.503 1.00 0.00 O ATOM 1061 CB LYS A 63 2.412 1.628 5.350 1.00 0.00 C ATOM 1062 CG LYS A 63 3.880 1.343 4.987 1.00 0.00 C ATOM 1063 CD LYS A 63 4.832 2.495 5.318 1.00 0.00 C ATOM 1064 CE LYS A 63 6.223 2.211 4.738 1.00 0.00 C ATOM 1065 NZ LYS A 63 7.182 3.302 5.057 1.00 0.00 N ATOM 0 H LYS A 63 2.214 -0.559 6.355 1.00 0.00 H new ATOM 0 HA LYS A 63 2.769 1.994 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.776 0.960 4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.171 2.646 5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.209 0.449 5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.945 1.125 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.443 3.428 4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.899 2.623 6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.598 1.268 5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.150 2.094 3.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.112 3.077 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.836 4.197 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.270 3.396 6.089 1.00 0.00 H new ATOM 1079 N LEU A 64 -0.359 1.262 6.833 1.00 0.00 N ATOM 1080 CA LEU A 64 -1.775 1.631 6.757 1.00 0.00 C ATOM 1081 C LEU A 64 -2.640 0.927 7.817 1.00 0.00 C ATOM 1082 O LEU A 64 -3.847 1.165 7.860 1.00 0.00 O ATOM 1083 CB LEU A 64 -2.219 1.296 5.321 1.00 0.00 C ATOM 1084 CG LEU A 64 -1.598 2.186 4.235 1.00 0.00 C ATOM 1085 CD1 LEU A 64 -1.519 1.449 2.900 1.00 0.00 C ATOM 1086 CD2 LEU A 64 -2.425 3.446 4.040 1.00 0.00 C ATOM 0 H LEU A 64 -0.216 0.267 6.659 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.907 2.690 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.965 0.257 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.304 1.378 5.262 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.593 2.447 4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.075 2.103 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.904 0.556 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.521 1.161 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.969 4.064 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.437 3.174 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.463 4.005 4.975 1.00 0.00 H new ATOM 1098 N ASN A 65 -2.034 0.105 8.688 1.00 0.00 N ATOM 1099 CA ASN A 65 -2.709 -0.583 9.798 1.00 0.00 C ATOM 1100 C ASN A 65 -3.920 -1.428 9.318 1.00 0.00 C ATOM 1101 O ASN A 65 -5.079 -1.175 9.659 1.00 0.00 O ATOM 1102 CB ASN A 65 -2.966 0.476 10.892 1.00 0.00 C ATOM 1103 CG ASN A 65 -3.869 0.020 12.020 1.00 0.00 C ATOM 1104 OD1 ASN A 65 -3.638 -0.982 12.686 1.00 0.00 O ATOM 1105 ND2 ASN A 65 -4.919 0.770 12.265 1.00 0.00 N ATOM 0 H ASN A 65 -1.037 -0.104 8.638 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.090 -1.358 10.250 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.008 0.782 11.313 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.406 1.358 10.427 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.558 0.522 13.020 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.095 1.601 11.700 1.00 0.00 H new ATOM 1112 N ILE A 66 -3.630 -2.423 8.473 1.00 0.00 N ATOM 1113 CA ILE A 66 -4.581 -3.266 7.725 1.00 0.00 C ATOM 1114 C ILE A 66 -4.147 -4.747 7.737 1.00 0.00 C ATOM 1115 O ILE A 66 -3.107 -5.092 8.302 1.00 0.00 O ATOM 1116 CB ILE A 66 -4.749 -2.724 6.277 1.00 0.00 C ATOM 1117 CG1 ILE A 66 -3.530 -1.944 5.728 1.00 0.00 C ATOM 1118 CG2 ILE A 66 -5.989 -1.817 6.230 1.00 0.00 C ATOM 1119 CD1 ILE A 66 -3.479 -1.895 4.195 1.00 0.00 C ATOM 0 H ILE A 66 -2.663 -2.681 8.278 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.552 -3.219 8.219 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.853 -3.599 5.636 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.555 -0.926 6.116 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.615 -2.405 6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.119 -1.430 5.219 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.871 -2.391 6.514 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.858 -0.986 6.923 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.600 -1.334 3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.423 -2.909 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.377 -1.407 3.816 1.00 0.00 H new ATOM 1131 N THR A 67 -4.932 -5.645 7.131 1.00 0.00 N ATOM 1132 CA THR A 67 -4.531 -7.055 6.928 1.00 0.00 C ATOM 1133 C THR A 67 -3.559 -7.197 5.754 1.00 0.00 C ATOM 1134 O THR A 67 -3.537 -6.361 4.844 1.00 0.00 O ATOM 1135 CB THR A 67 -5.723 -8.019 6.767 1.00 0.00 C ATOM 1136 OG1 THR A 67 -6.191 -8.045 5.439 1.00 0.00 O ATOM 1137 CG2 THR A 67 -6.914 -7.686 7.668 1.00 0.00 C ATOM 0 H THR A 67 -5.859 -5.424 6.767 1.00 0.00 H new ATOM 0 HA THR A 67 -4.020 -7.348 7.845 1.00 0.00 H new ATOM 0 HB THR A 67 -5.326 -8.990 7.061 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.945 -8.667 5.370 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.712 -8.408 7.497 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.603 -7.728 8.712 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.276 -6.684 7.437 1.00 0.00 H new ATOM 1145 N VAL A 68 -2.773 -8.279 5.734 1.00 0.00 N ATOM 1146 CA VAL A 68 -1.889 -8.618 4.599 1.00 0.00 C ATOM 1147 C VAL A 68 -2.695 -8.898 3.329 1.00 0.00 C ATOM 1148 O VAL A 68 -2.224 -8.599 2.239 1.00 0.00 O ATOM 1149 CB VAL A 68 -0.970 -9.812 4.946 1.00 0.00 C ATOM 1150 CG1 VAL A 68 -0.084 -10.269 3.776 1.00 0.00 C ATOM 1151 CG2 VAL A 68 -0.022 -9.443 6.097 1.00 0.00 C ATOM 0 H VAL A 68 -2.727 -8.949 6.502 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.256 -7.752 4.405 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.649 -10.622 5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.533 -11.110 4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.714 -10.576 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.558 -9.446 3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.618 -10.295 6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.596 -8.595 5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.606 -9.178 6.978 1.00 0.00 H new ATOM 1161 N GLU A 69 -3.930 -9.399 3.431 1.00 0.00 N ATOM 1162 CA GLU A 69 -4.744 -9.737 2.257 1.00 0.00 C ATOM 1163 C GLU A 69 -5.360 -8.470 1.663 1.00 0.00 C ATOM 1164 O GLU A 69 -5.365 -8.292 0.443 1.00 0.00 O ATOM 1165 CB GLU A 69 -5.826 -10.761 2.632 1.00 0.00 C ATOM 1166 CG GLU A 69 -5.223 -12.107 3.055 1.00 0.00 C ATOM 1167 CD GLU A 69 -6.326 -13.144 3.338 1.00 0.00 C ATOM 1168 OE1 GLU A 69 -6.815 -13.217 4.492 1.00 0.00 O ATOM 1169 OE2 GLU A 69 -6.702 -13.905 2.413 1.00 0.00 O ATOM 0 H GLU A 69 -4.392 -9.581 4.322 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.105 -10.191 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.434 -10.365 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.491 -10.913 1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.565 -12.477 2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.610 -11.971 3.946 1.00 0.00 H new ATOM 1176 N LYS A 70 -5.789 -7.543 2.529 1.00 0.00 N ATOM 1177 CA LYS A 70 -6.335 -6.240 2.154 1.00 0.00 C ATOM 1178 C LYS A 70 -5.264 -5.369 1.503 1.00 0.00 C ATOM 1179 O LYS A 70 -5.487 -4.798 0.440 1.00 0.00 O ATOM 1180 CB LYS A 70 -6.952 -5.617 3.415 1.00 0.00 C ATOM 1181 CG LYS A 70 -7.850 -4.400 3.180 1.00 0.00 C ATOM 1182 CD LYS A 70 -7.130 -3.066 2.935 1.00 0.00 C ATOM 1183 CE LYS A 70 -8.048 -1.887 3.304 1.00 0.00 C ATOM 1184 NZ LYS A 70 -9.064 -1.597 2.255 1.00 0.00 N ATOM 0 H LYS A 70 -5.763 -7.687 3.538 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.116 -6.338 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.534 -6.382 3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.145 -5.326 4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.490 -4.607 2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.503 -4.284 4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.217 -3.024 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.834 -2.992 1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.555 -2.107 4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.440 -0.998 3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.846 -1.052 2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.625 -1.046 1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.431 -2.491 1.871 1.00 0.00 H new ATOM 1198 N ALA A 71 -4.075 -5.345 2.097 1.00 0.00 N ATOM 1199 CA ALA A 71 -2.874 -4.727 1.538 1.00 0.00 C ATOM 1200 C ALA A 71 -2.470 -5.332 0.180 1.00 0.00 C ATOM 1201 O ALA A 71 -2.254 -4.604 -0.789 1.00 0.00 O ATOM 1202 CB ALA A 71 -1.739 -4.879 2.557 1.00 0.00 C ATOM 0 H ALA A 71 -3.914 -5.769 3.011 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.082 -3.674 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.831 -4.424 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.017 -4.384 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.561 -5.937 2.748 1.00 0.00 H new ATOM 1208 N LYS A 72 -2.407 -6.666 0.072 1.00 0.00 N ATOM 1209 CA LYS A 72 -1.943 -7.379 -1.121 1.00 0.00 C ATOM 1210 C LYS A 72 -2.924 -7.233 -2.270 1.00 0.00 C ATOM 1211 O LYS A 72 -2.494 -7.211 -3.419 1.00 0.00 O ATOM 1212 CB LYS A 72 -1.696 -8.850 -0.744 1.00 0.00 C ATOM 1213 CG LYS A 72 -1.133 -9.706 -1.883 1.00 0.00 C ATOM 1214 CD LYS A 72 -0.667 -11.086 -1.384 1.00 0.00 C ATOM 1215 CE LYS A 72 0.671 -11.008 -0.633 1.00 0.00 C ATOM 1216 NZ LYS A 72 1.160 -12.360 -0.246 1.00 0.00 N ATOM 0 H LYS A 72 -2.684 -7.291 0.829 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.008 -6.944 -1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.005 -8.886 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.634 -9.289 -0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.895 -9.836 -2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.296 -9.186 -2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.427 -11.509 -0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.567 -11.763 -2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.414 -10.518 -1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.553 -10.394 0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.065 -12.271 0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.461 -12.818 0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.296 -12.938 -1.100 1.00 0.00 H new ATOM 1230 N ASN A 73 -4.210 -7.033 -1.978 1.00 0.00 N ATOM 1231 CA ASN A 73 -5.214 -6.758 -2.997 1.00 0.00 C ATOM 1232 C ASN A 73 -4.796 -5.576 -3.897 1.00 0.00 C ATOM 1233 O ASN A 73 -4.857 -5.685 -5.121 1.00 0.00 O ATOM 1234 CB ASN A 73 -6.597 -6.578 -2.333 1.00 0.00 C ATOM 1235 CG ASN A 73 -7.250 -5.239 -2.629 1.00 0.00 C ATOM 1236 OD1 ASN A 73 -7.815 -5.031 -3.687 1.00 0.00 O ATOM 1237 ND2 ASN A 73 -7.112 -4.263 -1.766 1.00 0.00 N ATOM 0 H ASN A 73 -4.581 -7.058 -1.028 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.294 -7.612 -3.670 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.258 -7.376 -2.670 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.489 -6.688 -1.254 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.477 -3.335 -1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.640 -4.431 -0.878 1.00 0.00 H new ATOM 1244 N TYR A 74 -4.279 -4.495 -3.302 1.00 0.00 N ATOM 1245 CA TYR A 74 -3.802 -3.324 -4.034 1.00 0.00 C ATOM 1246 C TYR A 74 -2.618 -3.675 -4.944 1.00 0.00 C ATOM 1247 O TYR A 74 -2.567 -3.263 -6.100 1.00 0.00 O ATOM 1248 CB TYR A 74 -3.359 -2.241 -3.048 1.00 0.00 C ATOM 1249 CG TYR A 74 -4.388 -1.781 -2.035 1.00 0.00 C ATOM 1250 CD1 TYR A 74 -4.016 -1.729 -0.677 1.00 0.00 C ATOM 1251 CD2 TYR A 74 -5.668 -1.342 -2.442 1.00 0.00 C ATOM 1252 CE1 TYR A 74 -4.901 -1.196 0.275 1.00 0.00 C ATOM 1253 CE2 TYR A 74 -6.556 -0.805 -1.486 1.00 0.00 C ATOM 1254 CZ TYR A 74 -6.167 -0.726 -0.132 1.00 0.00 C ATOM 1255 OH TYR A 74 -7.011 -0.187 0.783 1.00 0.00 O ATOM 0 H TYR A 74 -4.181 -4.411 -2.290 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.624 -2.963 -4.652 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.489 -2.610 -2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.033 -1.373 -3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.050 -2.099 -0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.965 -1.417 -3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.613 -1.146 1.315 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.531 -0.455 -1.790 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.491 0.234 1.499 1.00 0.00 H new ATOM 1265 N ILE A 75 -1.681 -4.490 -4.449 1.00 0.00 N ATOM 1266 CA ILE A 75 -0.508 -4.962 -5.199 1.00 0.00 C ATOM 1267 C ILE A 75 -0.929 -5.889 -6.357 1.00 0.00 C ATOM 1268 O ILE A 75 -0.256 -5.946 -7.383 1.00 0.00 O ATOM 1269 CB ILE A 75 0.509 -5.638 -4.240 1.00 0.00 C ATOM 1270 CG1 ILE A 75 0.722 -4.793 -2.958 1.00 0.00 C ATOM 1271 CG2 ILE A 75 1.851 -5.867 -4.961 1.00 0.00 C ATOM 1272 CD1 ILE A 75 1.734 -5.367 -1.965 1.00 0.00 C ATOM 0 H ILE A 75 -1.716 -4.849 -3.495 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.009 -4.104 -5.651 1.00 0.00 H new ATOM 0 HB ILE A 75 0.099 -6.602 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.048 -3.795 -3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.237 -4.680 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.555 -6.342 -4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.694 -6.512 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.255 -4.910 -5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.813 -4.705 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.403 -6.352 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.708 -5.453 -2.447 1.00 0.00 H new ATOM 1284 N LYS A 76 -2.078 -6.567 -6.252 1.00 0.00 N ATOM 1285 CA LYS A 76 -2.645 -7.462 -7.273 1.00 0.00 C ATOM 1286 C LYS A 76 -3.448 -6.753 -8.374 1.00 0.00 C ATOM 1287 O LYS A 76 -3.522 -7.297 -9.475 1.00 0.00 O ATOM 1288 CB LYS A 76 -3.446 -8.554 -6.565 1.00 0.00 C ATOM 1289 CG LYS A 76 -2.644 -9.510 -5.668 1.00 0.00 C ATOM 1290 CD LYS A 76 -1.972 -10.640 -6.463 1.00 0.00 C ATOM 1291 CE LYS A 76 -1.257 -11.606 -5.509 1.00 0.00 C ATOM 1292 NZ LYS A 76 -0.683 -12.769 -6.238 1.00 0.00 N ATOM 0 H LYS A 76 -2.664 -6.506 -5.419 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.817 -7.907 -7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.213 -8.076 -5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.962 -9.146 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.882 -8.945 -5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.307 -9.942 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.719 -11.179 -7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.257 -10.221 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.462 -11.077 -4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.959 -11.959 -4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.207 -13.401 -5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.445 -13.287 -6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.005 -12.433 -6.941 1.00 0.00 H new ATOM 1306 N ASN A 77 -4.025 -5.569 -8.129 1.00 0.00 N ATOM 1307 CA ASN A 77 -4.839 -4.834 -9.116 1.00 0.00 C ATOM 1308 C ASN A 77 -4.199 -3.510 -9.577 1.00 0.00 C ATOM 1309 O ASN A 77 -4.191 -3.212 -10.773 1.00 0.00 O ATOM 1310 CB ASN A 77 -6.284 -4.668 -8.593 1.00 0.00 C ATOM 1311 CG ASN A 77 -6.437 -4.029 -7.217 1.00 0.00 C ATOM 1312 OD1 ASN A 77 -5.751 -3.093 -6.848 1.00 0.00 O ATOM 1313 ND2 ASN A 77 -7.362 -4.511 -6.423 1.00 0.00 N ATOM 0 H ASN A 77 -3.941 -5.087 -7.234 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.880 -5.435 -10.025 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.841 -4.068 -9.312 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.753 -5.651 -8.567 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.505 -4.102 -5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.939 -5.295 -6.729 1.00 0.00 H new ATOM 1597 N GLU A 95 13.709 25.428 -19.335 1.00 0.00 N ATOM 1598 CA GLU A 95 14.893 25.396 -20.212 1.00 0.00 C ATOM 1599 C GLU A 95 14.741 26.288 -21.462 1.00 0.00 C ATOM 1600 O GLU A 95 13.638 26.475 -21.984 1.00 0.00 O ATOM 1601 CB GLU A 95 15.205 23.953 -20.647 1.00 0.00 C ATOM 1602 CG GLU A 95 15.479 23.010 -19.470 1.00 0.00 C ATOM 1603 CD GLU A 95 15.949 21.630 -19.972 1.00 0.00 C ATOM 1604 OE1 GLU A 95 17.169 21.338 -19.902 1.00 0.00 O ATOM 1605 OE2 GLU A 95 15.105 20.827 -20.438 1.00 0.00 O ATOM 0 HA GLU A 95 15.719 25.795 -19.624 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.366 23.566 -21.226 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.072 23.960 -21.308 1.00 0.00 H new ATOM 0 HG2 GLU A 95 16.239 23.444 -18.820 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.575 22.896 -18.872 1.00 0.00 H new ATOM 1612 N GLU A 96 15.864 26.797 -21.981 1.00 0.00 N ATOM 1613 CA GLU A 96 15.945 27.569 -23.234 1.00 0.00 C ATOM 1614 C GLU A 96 17.115 27.069 -24.095 1.00 0.00 C ATOM 1615 O GLU A 96 18.283 27.262 -23.746 1.00 0.00 O ATOM 1616 CB GLU A 96 16.088 29.076 -22.941 1.00 0.00 C ATOM 1617 CG GLU A 96 14.851 29.691 -22.271 1.00 0.00 C ATOM 1618 CD GLU A 96 15.018 31.215 -22.107 1.00 0.00 C ATOM 1619 OE1 GLU A 96 15.590 31.665 -21.082 1.00 0.00 O ATOM 1620 OE2 GLU A 96 14.574 31.981 -22.998 1.00 0.00 O ATOM 0 H GLU A 96 16.771 26.682 -21.530 1.00 0.00 H new ATOM 0 HA GLU A 96 15.019 27.421 -23.790 1.00 0.00 H new ATOM 0 HB2 GLU A 96 16.955 29.232 -22.298 1.00 0.00 H new ATOM 0 HB3 GLU A 96 16.285 29.602 -23.875 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.965 29.480 -22.870 1.00 0.00 H new ATOM 0 HG3 GLU A 96 14.694 29.231 -21.296 1.00 0.00 H new ATOM 1627 N VAL A 97 16.794 26.417 -25.221 1.00 0.00 N ATOM 1628 CA VAL A 97 17.762 25.891 -26.199 1.00 0.00 C ATOM 1629 C VAL A 97 17.235 26.088 -27.625 1.00 0.00 C ATOM 1630 O VAL A 97 16.129 25.646 -27.945 1.00 0.00 O ATOM 1631 CB VAL A 97 18.060 24.388 -25.960 1.00 0.00 C ATOM 1632 CG1 VAL A 97 19.119 23.853 -26.937 1.00 0.00 C ATOM 1633 CG2 VAL A 97 18.569 24.094 -24.542 1.00 0.00 C ATOM 0 H VAL A 97 15.826 26.235 -25.486 1.00 0.00 H new ATOM 0 HA VAL A 97 18.691 26.447 -26.070 1.00 0.00 H new ATOM 0 HB VAL A 97 17.102 23.891 -26.115 1.00 0.00 H new ATOM 0 HG11 VAL A 97 19.299 22.797 -26.736 1.00 0.00 H new ATOM 0 HG12 VAL A 97 18.763 23.972 -27.960 1.00 0.00 H new ATOM 0 HG13 VAL A 97 20.047 24.410 -26.808 1.00 0.00 H new ATOM 0 HG21 VAL A 97 18.759 23.026 -24.438 1.00 0.00 H new ATOM 0 HG22 VAL A 97 19.492 24.646 -24.365 1.00 0.00 H new ATOM 0 HG23 VAL A 97 17.818 24.401 -23.815 1.00 0.00 H new ATOM 1643 N SER A 98 18.034 26.704 -28.500 1.00 0.00 N ATOM 1644 CA SER A 98 17.725 26.901 -29.924 1.00 0.00 C ATOM 1645 C SER A 98 18.421 25.844 -30.800 1.00 0.00 C ATOM 1646 O SER A 98 19.508 26.073 -31.335 1.00 0.00 O ATOM 1647 CB SER A 98 18.082 28.336 -30.332 1.00 0.00 C ATOM 1648 OG SER A 98 17.534 28.636 -31.608 1.00 0.00 O ATOM 0 H SER A 98 18.939 27.091 -28.233 1.00 0.00 H new ATOM 0 HA SER A 98 16.655 26.764 -30.083 1.00 0.00 H new ATOM 0 HB2 SER A 98 17.700 29.038 -29.591 1.00 0.00 H new ATOM 0 HB3 SER A 98 19.165 28.456 -30.356 1.00 0.00 H new ATOM 0 HG SER A 98 17.767 29.555 -31.856 1.00 0.00 H new ATOM 1654 N SER A 99 17.798 24.665 -30.919 1.00 0.00 N ATOM 1655 CA SER A 99 18.198 23.544 -31.798 1.00 0.00 C ATOM 1656 C SER A 99 19.689 23.157 -31.706 1.00 0.00 C ATOM 1657 O SER A 99 20.478 23.438 -32.613 1.00 0.00 O ATOM 1658 CB SER A 99 17.765 23.822 -33.247 1.00 0.00 C ATOM 1659 OG SER A 99 16.356 23.992 -33.323 1.00 0.00 O ATOM 0 H SER A 99 16.959 24.450 -30.381 1.00 0.00 H new ATOM 0 HA SER A 99 17.669 22.665 -31.429 1.00 0.00 H new ATOM 0 HB2 SER A 99 18.265 24.717 -33.617 1.00 0.00 H new ATOM 0 HB3 SER A 99 18.073 22.997 -33.889 1.00 0.00 H new ATOM 0 HG SER A 99 16.098 24.170 -34.251 1.00 0.00 H new ATOM 1665 N MET A 100 20.071 22.502 -30.599 1.00 0.00 N ATOM 1666 CA MET A 100 21.466 22.169 -30.244 1.00 0.00 C ATOM 1667 C MET A 100 22.370 23.417 -30.191 1.00 0.00 C ATOM 1668 O MET A 100 23.399 23.527 -30.859 1.00 0.00 O ATOM 1669 CB MET A 100 22.023 21.015 -31.102 1.00 0.00 C ATOM 1670 CG MET A 100 21.442 19.642 -30.730 1.00 0.00 C ATOM 1671 SD MET A 100 21.946 19.025 -29.092 1.00 0.00 S ATOM 1672 CE MET A 100 21.272 17.338 -29.146 1.00 0.00 C ATOM 0 H MET A 100 19.400 22.178 -29.903 1.00 0.00 H new ATOM 0 HA MET A 100 21.462 21.786 -29.224 1.00 0.00 H new ATOM 0 HB2 MET A 100 21.812 21.218 -32.152 1.00 0.00 H new ATOM 0 HB3 MET A 100 23.107 20.983 -30.995 1.00 0.00 H new ATOM 0 HG2 MET A 100 20.354 19.701 -30.763 1.00 0.00 H new ATOM 0 HG3 MET A 100 21.744 18.917 -31.486 1.00 0.00 H new ATOM 0 HE1 MET A 100 21.498 16.826 -28.211 1.00 0.00 H new ATOM 0 HE2 MET A 100 20.192 17.382 -29.284 1.00 0.00 H new ATOM 0 HE3 MET A 100 21.721 16.793 -29.976 1.00 0.00 H new ATOM 1682 N GLU A 101 21.952 24.374 -29.363 1.00 0.00 N ATOM 1683 CA GLU A 101 22.687 25.601 -29.037 1.00 0.00 C ATOM 1684 C GLU A 101 23.890 25.278 -28.128 1.00 0.00 C ATOM 1685 O GLU A 101 23.752 25.133 -26.909 1.00 0.00 O ATOM 1686 CB GLU A 101 21.700 26.591 -28.394 1.00 0.00 C ATOM 1687 CG GLU A 101 22.270 28.004 -28.208 1.00 0.00 C ATOM 1688 CD GLU A 101 21.255 28.960 -27.543 1.00 0.00 C ATOM 1689 OE1 GLU A 101 21.680 30.030 -27.042 1.00 0.00 O ATOM 1690 OE2 GLU A 101 20.034 28.665 -27.527 1.00 0.00 O ATOM 0 H GLU A 101 21.056 24.315 -28.880 1.00 0.00 H new ATOM 0 HA GLU A 101 23.101 26.061 -29.934 1.00 0.00 H new ATOM 0 HB2 GLU A 101 20.804 26.649 -29.012 1.00 0.00 H new ATOM 0 HB3 GLU A 101 21.392 26.203 -27.423 1.00 0.00 H new ATOM 0 HG2 GLU A 101 23.172 27.953 -27.598 1.00 0.00 H new ATOM 0 HG3 GLU A 101 22.564 28.406 -29.178 1.00 0.00 H new ATOM 1697 N ALA A 102 25.070 25.126 -28.735 1.00 0.00 N ATOM 1698 CA ALA A 102 26.314 24.713 -28.078 1.00 0.00 C ATOM 1699 C ALA A 102 27.538 25.500 -28.590 1.00 0.00 C ATOM 1700 O ALA A 102 27.518 26.064 -29.689 1.00 0.00 O ATOM 1701 CB ALA A 102 26.487 23.201 -28.287 1.00 0.00 C ATOM 0 H ALA A 102 25.190 25.293 -29.734 1.00 0.00 H new ATOM 0 HA ALA A 102 26.247 24.937 -27.013 1.00 0.00 H new ATOM 0 HB1 ALA A 102 27.408 22.870 -27.806 1.00 0.00 H new ATOM 0 HB2 ALA A 102 25.639 22.674 -27.849 1.00 0.00 H new ATOM 0 HB3 ALA A 102 26.537 22.985 -29.354 1.00 0.00 H new ATOM 1707 N LYS A 103 28.615 25.517 -27.792 1.00 0.00 N ATOM 1708 CA LYS A 103 29.869 26.247 -28.056 1.00 0.00 C ATOM 1709 C LYS A 103 31.075 25.296 -28.009 1.00 0.00 C ATOM 1710 O LYS A 103 31.518 24.892 -26.932 1.00 0.00 O ATOM 1711 CB LYS A 103 30.009 27.405 -27.043 1.00 0.00 C ATOM 1712 CG LYS A 103 28.913 28.488 -27.132 1.00 0.00 C ATOM 1713 CD LYS A 103 28.924 29.333 -28.419 1.00 0.00 C ATOM 1714 CE LYS A 103 30.186 30.193 -28.603 1.00 0.00 C ATOM 1715 NZ LYS A 103 30.278 31.289 -27.600 1.00 0.00 N ATOM 0 H LYS A 103 28.640 25.004 -26.911 1.00 0.00 H new ATOM 0 HA LYS A 103 29.840 26.670 -29.060 1.00 0.00 H new ATOM 0 HB2 LYS A 103 30.006 26.988 -26.036 1.00 0.00 H new ATOM 0 HB3 LYS A 103 30.980 27.879 -27.189 1.00 0.00 H new ATOM 0 HG2 LYS A 103 27.940 28.005 -27.043 1.00 0.00 H new ATOM 0 HG3 LYS A 103 29.016 29.157 -26.277 1.00 0.00 H new ATOM 0 HD2 LYS A 103 28.824 28.668 -29.277 1.00 0.00 H new ATOM 0 HD3 LYS A 103 28.051 29.986 -28.418 1.00 0.00 H new ATOM 0 HE2 LYS A 103 31.069 29.559 -28.526 1.00 0.00 H new ATOM 0 HE3 LYS A 103 30.188 30.621 -29.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 31.145 31.839 -27.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 29.450 31.912 -27.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 30.304 30.883 -26.643 1.00 0.00 H new