USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 656 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 13 GLN : amide:sc= -0.226 K(o=1.5,f=-6.5!) USER MOD Set 1.2: A 88 SER OG : rot 47:sc= 1.73 USER MOD Single : A 9 MET CE :methyl -108:sc= -1.54 (180deg=-4.39!) USER MOD Single : A 11 THR OG1 : rot 150:sc= -0.803 USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.034) USER MOD Single : A 17 THR OG1 : rot 49:sc= 0.199 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot -112:sc= -0.906 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.071) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -5.92! C(o=-5.9!,f=-9.2!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -111:sc= -1.39! (180deg=-3.15!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -10.7! C(o=-11!,f=-12!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= -0.0956 (180deg=-0.448) USER MOD Single : A 79 TYR OH : rot 0:sc= 0.911 USER MOD Single : A 80 SER OG : rot 180:sc= -0.316 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 131:sc= -0.158 USER MOD Single : A 84 THR OG1 : rot -163:sc= -0.538 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -20.585 -3.251 -1.986 1.00 0.00 N ATOM 60 CA GLY A 7 -19.146 -3.141 -2.139 1.00 0.00 C ATOM 61 C GLY A 7 -18.494 -2.415 -0.979 1.00 0.00 C ATOM 62 O GLY A 7 -19.166 -2.034 -0.020 1.00 0.00 O ATOM 0 HA2 GLY A 7 -18.716 -4.139 -2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.921 -2.614 -3.066 1.00 0.00 H new ATOM 66 N ILE A 8 -17.182 -2.224 -1.066 1.00 0.00 N ATOM 67 CA ILE A 8 -16.439 -1.539 -0.015 1.00 0.00 C ATOM 68 C ILE A 8 -15.884 -0.209 -0.512 1.00 0.00 C ATOM 69 O ILE A 8 -15.232 -0.147 -1.554 1.00 0.00 O ATOM 70 CB ILE A 8 -15.278 -2.404 0.508 1.00 0.00 C ATOM 71 CG1 ILE A 8 -15.818 -3.665 1.187 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.415 -1.605 1.474 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.746 -4.680 1.516 1.00 0.00 C ATOM 0 H ILE A 8 -16.612 -2.534 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 8 -17.140 -1.356 0.799 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.660 -2.705 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.333 -3.382 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.559 -4.129 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.598 -2.230 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -14.006 -0.734 0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.022 -1.277 2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.201 -5.547 1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.247 -4.992 0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.017 -4.233 2.192 1.00 0.00 H new ATOM 85 N MET A 9 -16.144 0.854 0.242 1.00 0.00 N ATOM 86 CA MET A 9 -15.667 2.183 -0.121 1.00 0.00 C ATOM 87 C MET A 9 -14.542 2.629 0.807 1.00 0.00 C ATOM 88 O MET A 9 -14.636 2.488 2.027 1.00 0.00 O ATOM 89 CB MET A 9 -16.816 3.193 -0.069 1.00 0.00 C ATOM 90 CG MET A 9 -18.150 2.618 -0.518 1.00 0.00 C ATOM 91 SD MET A 9 -18.171 2.201 -2.272 1.00 0.00 S ATOM 92 CE MET A 9 -18.756 0.509 -2.210 1.00 0.00 C ATOM 0 H MET A 9 -16.682 0.821 1.108 1.00 0.00 H new ATOM 0 HA MET A 9 -15.279 2.137 -1.138 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.915 3.566 0.950 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.567 4.047 -0.699 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.372 1.725 0.067 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.941 3.339 -0.310 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.936 -0.168 -2.450 1.00 0.00 H new ATOM 0 HE2 MET A 9 -19.128 0.289 -1.209 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.560 0.375 -2.933 1.00 0.00 H new ATOM 102 N VAL A 10 -13.476 3.166 0.222 1.00 0.00 N ATOM 103 CA VAL A 10 -12.332 3.633 0.997 1.00 0.00 C ATOM 104 C VAL A 10 -12.641 4.955 1.690 1.00 0.00 C ATOM 105 O VAL A 10 -12.590 6.020 1.072 1.00 0.00 O ATOM 106 CB VAL A 10 -11.087 3.810 0.108 1.00 0.00 C ATOM 107 CG1 VAL A 10 -9.914 4.326 0.928 1.00 0.00 C ATOM 108 CG2 VAL A 10 -10.732 2.500 -0.579 1.00 0.00 C ATOM 0 H VAL A 10 -13.381 3.289 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.127 2.871 1.749 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.314 4.548 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.043 4.445 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.173 5.289 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.684 3.615 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.850 2.644 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.524 1.739 0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.567 2.177 -1.200 1.00 0.00 H new ATOM 118 N THR A 11 -12.960 4.882 2.978 1.00 0.00 N ATOM 119 CA THR A 11 -13.277 6.073 3.756 1.00 0.00 C ATOM 120 C THR A 11 -12.071 6.999 3.861 1.00 0.00 C ATOM 121 O THR A 11 -12.199 8.218 3.743 1.00 0.00 O ATOM 122 CB THR A 11 -13.754 5.707 5.174 1.00 0.00 C ATOM 123 OG1 THR A 11 -12.679 5.119 5.916 1.00 0.00 O ATOM 124 CG2 THR A 11 -14.927 4.739 5.118 1.00 0.00 C ATOM 0 H THR A 11 -13.006 4.010 3.505 1.00 0.00 H new ATOM 0 HA THR A 11 -14.082 6.588 3.231 1.00 0.00 H new ATOM 0 HB THR A 11 -14.081 6.621 5.670 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.790 5.322 6.868 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.246 4.495 6.131 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.754 5.200 4.578 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.622 3.827 4.604 1.00 0.00 H new ATOM 132 N LYS A 12 -10.899 6.413 4.081 1.00 0.00 N ATOM 133 CA LYS A 12 -9.668 7.185 4.200 1.00 0.00 C ATOM 134 C LYS A 12 -8.690 6.824 3.086 1.00 0.00 C ATOM 135 O LYS A 12 -7.996 5.811 3.162 1.00 0.00 O ATOM 136 CB LYS A 12 -9.017 6.940 5.564 1.00 0.00 C ATOM 137 CG LYS A 12 -7.880 7.898 5.876 1.00 0.00 C ATOM 138 CD LYS A 12 -7.260 7.604 7.232 1.00 0.00 C ATOM 139 CE LYS A 12 -6.023 8.455 7.475 1.00 0.00 C ATOM 140 NZ LYS A 12 -6.355 9.904 7.563 1.00 0.00 N ATOM 0 H LYS A 12 -10.776 5.405 4.181 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.921 8.241 4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.777 7.026 6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.640 5.918 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.117 7.823 5.102 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.251 8.923 5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.993 7.792 8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.994 6.549 7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.539 8.137 8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.308 8.295 6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.500 10.441 7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.715 10.234 6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.081 10.050 8.293 1.00 0.00 H new ATOM 154 N GLN A 13 -8.640 7.661 2.055 1.00 0.00 N ATOM 155 CA GLN A 13 -7.746 7.429 0.927 1.00 0.00 C ATOM 156 C GLN A 13 -6.288 7.599 1.343 1.00 0.00 C ATOM 157 O GLN A 13 -5.992 8.220 2.365 1.00 0.00 O ATOM 158 CB GLN A 13 -8.076 8.388 -0.219 1.00 0.00 C ATOM 159 CG GLN A 13 -9.484 8.218 -0.767 1.00 0.00 C ATOM 160 CD GLN A 13 -9.556 7.191 -1.881 1.00 0.00 C ATOM 161 OE1 GLN A 13 -8.639 7.076 -2.695 1.00 0.00 O ATOM 162 NE2 GLN A 13 -10.649 6.439 -1.923 1.00 0.00 N ATOM 0 H GLN A 13 -9.207 8.505 1.977 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.891 6.404 0.587 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.952 9.413 0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.360 8.236 -1.027 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.151 7.919 0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.844 9.178 -1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.384 6.569 -1.228 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.754 5.732 -2.650 1.00 0.00 H new ATOM 171 N LEU A 14 -5.382 7.044 0.546 1.00 0.00 N ATOM 172 CA LEU A 14 -3.954 7.134 0.832 1.00 0.00 C ATOM 173 C LEU A 14 -3.479 8.583 0.781 1.00 0.00 C ATOM 174 O LEU A 14 -4.058 9.411 0.080 1.00 0.00 O ATOM 175 CB LEU A 14 -3.160 6.290 -0.167 1.00 0.00 C ATOM 176 CG LEU A 14 -3.527 4.807 -0.232 1.00 0.00 C ATOM 177 CD1 LEU A 14 -2.879 4.150 -1.441 1.00 0.00 C ATOM 178 CD2 LEU A 14 -3.111 4.098 1.049 1.00 0.00 C ATOM 0 H LEU A 14 -5.610 6.527 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.785 6.750 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.290 6.720 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.101 6.372 0.079 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.609 4.724 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.151 3.095 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.225 4.640 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.795 4.243 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.380 3.044 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.033 4.190 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.622 4.552 1.898 1.00 0.00 H new ATOM 190 N GLU A 15 -2.420 8.879 1.528 1.00 0.00 N ATOM 191 CA GLU A 15 -1.866 10.227 1.567 1.00 0.00 C ATOM 192 C GLU A 15 -0.399 10.225 1.149 1.00 0.00 C ATOM 193 O GLU A 15 0.377 9.369 1.572 1.00 0.00 O ATOM 194 CB GLU A 15 -2.007 10.820 2.970 1.00 0.00 C ATOM 195 CG GLU A 15 -1.239 10.055 4.035 1.00 0.00 C ATOM 196 CD GLU A 15 -1.217 10.774 5.369 1.00 0.00 C ATOM 197 OE1 GLU A 15 -1.148 12.021 5.371 1.00 0.00 O ATOM 198 OE2 GLU A 15 -1.270 10.089 6.412 1.00 0.00 O ATOM 0 H GLU A 15 -1.929 8.204 2.114 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.426 10.842 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.659 11.853 2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.062 10.843 3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.688 9.070 4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.216 9.896 3.696 1.00 0.00 H new ATOM 205 N ASP A 16 -0.026 11.189 0.314 1.00 0.00 N ATOM 206 CA ASP A 16 1.348 11.300 -0.162 1.00 0.00 C ATOM 207 C ASP A 16 2.336 11.120 0.986 1.00 0.00 C ATOM 208 O ASP A 16 2.185 11.719 2.051 1.00 0.00 O ATOM 209 CB ASP A 16 1.569 12.656 -0.834 1.00 0.00 C ATOM 210 CG ASP A 16 3.011 13.116 -0.749 1.00 0.00 C ATOM 211 OD1 ASP A 16 3.879 12.465 -1.368 1.00 0.00 O ATOM 212 OD2 ASP A 16 3.273 14.126 -0.062 1.00 0.00 O ATOM 0 H ASP A 16 -0.656 11.905 -0.047 1.00 0.00 H new ATOM 0 HA ASP A 16 1.519 10.509 -0.892 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.272 12.592 -1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.925 13.400 -0.365 1.00 0.00 H new ATOM 217 N THR A 17 3.350 10.290 0.762 1.00 0.00 N ATOM 218 CA THR A 17 4.363 10.029 1.777 1.00 0.00 C ATOM 219 C THR A 17 5.767 10.228 1.218 1.00 0.00 C ATOM 220 O THR A 17 6.029 9.937 0.050 1.00 0.00 O ATOM 221 CB THR A 17 4.243 8.598 2.335 1.00 0.00 C ATOM 222 OG1 THR A 17 2.928 8.384 2.858 1.00 0.00 O ATOM 223 CG2 THR A 17 5.274 8.355 3.427 1.00 0.00 C ATOM 0 H THR A 17 3.491 9.787 -0.114 1.00 0.00 H new ATOM 0 HA THR A 17 4.192 10.742 2.584 1.00 0.00 H new ATOM 0 HB THR A 17 4.427 7.898 1.520 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.263 8.671 2.198 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.170 7.338 3.806 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.275 8.489 3.018 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.116 9.063 4.240 1.00 0.00 H new ATOM 231 N THR A 18 6.669 10.726 2.058 1.00 0.00 N ATOM 232 CA THR A 18 8.046 10.965 1.647 1.00 0.00 C ATOM 233 C THR A 18 9.030 10.339 2.630 1.00 0.00 C ATOM 234 O THR A 18 9.216 10.840 3.739 1.00 0.00 O ATOM 235 CB THR A 18 8.344 12.471 1.529 1.00 0.00 C ATOM 236 OG1 THR A 18 7.479 13.067 0.556 1.00 0.00 O ATOM 237 CG2 THR A 18 9.795 12.707 1.137 1.00 0.00 C ATOM 0 H THR A 18 6.470 10.972 3.028 1.00 0.00 H new ATOM 0 HA THR A 18 8.169 10.500 0.669 1.00 0.00 H new ATOM 0 HB THR A 18 8.168 12.931 2.501 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.674 14.025 0.488 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.981 13.778 1.060 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.451 12.278 1.895 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.994 12.234 0.175 1.00 0.00 H new ATOM 245 N ALA A 19 9.657 9.243 2.216 1.00 0.00 N ATOM 246 CA ALA A 19 10.623 8.551 3.059 1.00 0.00 C ATOM 247 C ALA A 19 12.031 8.661 2.484 1.00 0.00 C ATOM 248 O ALA A 19 12.243 9.296 1.451 1.00 0.00 O ATOM 249 CB ALA A 19 10.230 7.091 3.224 1.00 0.00 C ATOM 0 H ALA A 19 9.513 8.815 1.301 1.00 0.00 H new ATOM 0 HA ALA A 19 10.621 9.028 4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.961 6.587 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.245 7.029 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.202 6.609 2.247 1.00 0.00 H new ATOM 255 N TYR A 20 12.991 8.038 3.159 1.00 0.00 N ATOM 256 CA TYR A 20 14.380 8.068 2.717 1.00 0.00 C ATOM 257 C TYR A 20 14.840 6.684 2.270 1.00 0.00 C ATOM 258 O TYR A 20 14.128 5.694 2.447 1.00 0.00 O ATOM 259 CB TYR A 20 15.284 8.581 3.839 1.00 0.00 C ATOM 260 CG TYR A 20 14.928 9.970 4.317 1.00 0.00 C ATOM 261 CD1 TYR A 20 15.334 11.095 3.609 1.00 0.00 C ATOM 262 CD2 TYR A 20 14.183 10.159 5.475 1.00 0.00 C ATOM 263 CE1 TYR A 20 15.012 12.366 4.043 1.00 0.00 C ATOM 264 CE2 TYR A 20 13.855 11.426 5.915 1.00 0.00 C ATOM 265 CZ TYR A 20 14.272 12.527 5.195 1.00 0.00 C ATOM 266 OH TYR A 20 13.947 13.792 5.629 1.00 0.00 O ATOM 0 H TYR A 20 12.832 7.506 4.015 1.00 0.00 H new ATOM 0 HA TYR A 20 14.449 8.746 1.866 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.230 7.891 4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.317 8.579 3.491 1.00 0.00 H new ATOM 0 HD1 TYR A 20 15.911 10.973 2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 20 13.855 9.300 6.041 1.00 0.00 H new ATOM 0 HE1 TYR A 20 15.338 13.230 3.483 1.00 0.00 H new ATOM 0 HE2 TYR A 20 13.276 11.555 6.817 1.00 0.00 H new ATOM 0 HH TYR A 20 13.422 13.730 6.454 1.00 0.00 H new ATOM 276 N CYS A 21 16.034 6.622 1.692 1.00 0.00 N ATOM 277 CA CYS A 21 16.590 5.359 1.219 1.00 0.00 C ATOM 278 C CYS A 21 16.908 4.433 2.389 1.00 0.00 C ATOM 279 O CYS A 21 17.789 4.719 3.199 1.00 0.00 O ATOM 280 CB CYS A 21 17.854 5.612 0.396 1.00 0.00 C ATOM 281 SG CYS A 21 18.744 4.108 -0.069 1.00 0.00 S ATOM 0 H CYS A 21 16.636 7.431 1.539 1.00 0.00 H new ATOM 0 HA CYS A 21 15.844 4.875 0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.583 6.156 -0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 21 18.523 6.256 0.966 1.00 0.00 H new ATOM 0 HG CYS A 21 19.796 4.424 -0.764 1.00 0.00 H new ATOM 287 N GLY A 22 16.181 3.323 2.472 1.00 0.00 N ATOM 288 CA GLY A 22 16.399 2.372 3.547 1.00 0.00 C ATOM 289 C GLY A 22 15.319 2.440 4.608 1.00 0.00 C ATOM 290 O GLY A 22 15.004 1.436 5.246 1.00 0.00 O ATOM 0 H GLY A 22 15.445 3.065 1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.436 1.364 3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.368 2.564 4.007 1.00 0.00 H new ATOM 294 N GLU A 23 14.751 3.627 4.798 1.00 0.00 N ATOM 295 CA GLU A 23 13.702 3.821 5.791 1.00 0.00 C ATOM 296 C GLU A 23 12.498 2.932 5.492 1.00 0.00 C ATOM 297 O GLU A 23 12.324 2.463 4.367 1.00 0.00 O ATOM 298 CB GLU A 23 13.269 5.288 5.829 1.00 0.00 C ATOM 299 CG GLU A 23 14.037 6.123 6.840 1.00 0.00 C ATOM 300 CD GLU A 23 13.468 6.013 8.241 1.00 0.00 C ATOM 301 OE1 GLU A 23 12.991 4.917 8.604 1.00 0.00 O ATOM 302 OE2 GLU A 23 13.499 7.023 8.975 1.00 0.00 O ATOM 0 H GLU A 23 15.000 4.468 4.277 1.00 0.00 H new ATOM 0 HA GLU A 23 14.104 3.543 6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.399 5.722 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.205 5.338 6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.080 5.806 6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.024 7.167 6.528 1.00 0.00 H new ATOM 309 N ARG A 24 11.671 2.704 6.507 1.00 0.00 N ATOM 310 CA ARG A 24 10.485 1.870 6.354 1.00 0.00 C ATOM 311 C ARG A 24 9.250 2.726 6.088 1.00 0.00 C ATOM 312 O ARG A 24 8.929 3.629 6.860 1.00 0.00 O ATOM 313 CB ARG A 24 10.268 1.019 7.607 1.00 0.00 C ATOM 314 CG ARG A 24 8.904 0.352 7.661 1.00 0.00 C ATOM 315 CD ARG A 24 8.420 0.192 9.094 1.00 0.00 C ATOM 316 NE ARG A 24 8.773 -1.113 9.648 1.00 0.00 N ATOM 317 CZ ARG A 24 9.945 -1.378 10.214 1.00 0.00 C ATOM 318 NH1 ARG A 24 10.872 -0.434 10.300 1.00 0.00 N ATOM 319 NH2 ARG A 24 10.192 -2.589 10.695 1.00 0.00 N ATOM 0 H ARG A 24 11.800 3.085 7.444 1.00 0.00 H new ATOM 0 HA ARG A 24 10.642 1.212 5.499 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.041 0.251 7.653 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.391 1.648 8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.185 0.945 7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.956 -0.626 7.182 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.853 0.978 9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.338 0.320 9.128 1.00 0.00 H new ATOM 0 HE ARG A 24 8.082 -1.861 9.597 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.686 0.499 9.931 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.771 -0.640 10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.482 -3.318 10.630 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.092 -2.791 11.129 1.00 0.00 H new ATOM 333 N VAL A 25 8.560 2.435 4.989 1.00 0.00 N ATOM 334 CA VAL A 25 7.360 3.177 4.621 1.00 0.00 C ATOM 335 C VAL A 25 6.103 2.461 5.100 1.00 0.00 C ATOM 336 O VAL A 25 5.986 1.242 4.976 1.00 0.00 O ATOM 337 CB VAL A 25 7.272 3.381 3.097 1.00 0.00 C ATOM 338 CG1 VAL A 25 6.069 4.241 2.741 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.556 4.002 2.568 1.00 0.00 C ATOM 0 H VAL A 25 8.812 1.691 4.338 1.00 0.00 H new ATOM 0 HA VAL A 25 7.428 4.150 5.107 1.00 0.00 H new ATOM 0 HB VAL A 25 7.144 2.407 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.024 4.374 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.158 3.752 3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.162 5.214 3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.476 4.139 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.716 4.968 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.396 3.344 2.789 1.00 0.00 H new ATOM 349 N GLU A 26 5.164 3.226 5.648 1.00 0.00 N ATOM 350 CA GLU A 26 3.915 2.664 6.146 1.00 0.00 C ATOM 351 C GLU A 26 2.717 3.449 5.620 1.00 0.00 C ATOM 352 O GLU A 26 2.560 4.635 5.913 1.00 0.00 O ATOM 353 CB GLU A 26 3.905 2.661 7.676 1.00 0.00 C ATOM 354 CG GLU A 26 4.725 1.537 8.288 1.00 0.00 C ATOM 355 CD GLU A 26 4.551 1.440 9.791 1.00 0.00 C ATOM 356 OE1 GLU A 26 5.271 2.157 10.518 1.00 0.00 O ATOM 357 OE2 GLU A 26 3.697 0.648 10.241 1.00 0.00 O ATOM 0 H GLU A 26 5.245 4.237 5.758 1.00 0.00 H new ATOM 0 HA GLU A 26 3.840 1.637 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.288 3.616 8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.875 2.579 8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.436 0.591 7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.779 1.694 8.057 1.00 0.00 H new ATOM 364 N LEU A 27 1.873 2.780 4.842 1.00 0.00 N ATOM 365 CA LEU A 27 0.688 3.414 4.274 1.00 0.00 C ATOM 366 C LEU A 27 -0.576 2.939 4.984 1.00 0.00 C ATOM 367 O LEU A 27 -0.968 1.779 4.862 1.00 0.00 O ATOM 368 CB LEU A 27 0.592 3.111 2.778 1.00 0.00 C ATOM 369 CG LEU A 27 1.853 3.379 1.956 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.682 2.868 0.534 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.183 4.864 1.955 1.00 0.00 C ATOM 0 H LEU A 27 1.987 1.798 4.590 1.00 0.00 H new ATOM 0 HA LEU A 27 0.778 4.491 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.320 2.063 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.223 3.702 2.360 1.00 0.00 H new ATOM 0 HG LEU A 27 2.684 2.843 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.589 3.068 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.494 1.794 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.839 3.375 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.083 5.036 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.353 5.421 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.350 5.200 2.978 1.00 0.00 H new ATOM 383 N GLU A 28 -1.209 3.845 5.722 1.00 0.00 N ATOM 384 CA GLU A 28 -2.430 3.518 6.450 1.00 0.00 C ATOM 385 C GLU A 28 -3.663 3.985 5.681 1.00 0.00 C ATOM 386 O GLU A 28 -3.622 4.994 4.975 1.00 0.00 O ATOM 387 CB GLU A 28 -2.409 4.159 7.839 1.00 0.00 C ATOM 388 CG GLU A 28 -3.496 3.639 8.765 1.00 0.00 C ATOM 389 CD GLU A 28 -3.822 4.609 9.884 1.00 0.00 C ATOM 390 OE1 GLU A 28 -3.900 5.825 9.612 1.00 0.00 O ATOM 391 OE2 GLU A 28 -4.000 4.151 11.032 1.00 0.00 O ATOM 0 H GLU A 28 -0.897 4.810 5.832 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.479 2.435 6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.436 3.981 8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.519 5.238 7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.398 3.442 8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.179 2.689 9.194 1.00 0.00 H new ATOM 398 N CYS A 29 -4.757 3.245 5.823 1.00 0.00 N ATOM 399 CA CYS A 29 -6.001 3.582 5.141 1.00 0.00 C ATOM 400 C CYS A 29 -7.194 2.929 5.832 1.00 0.00 C ATOM 401 O CYS A 29 -7.032 1.997 6.620 1.00 0.00 O ATOM 402 CB CYS A 29 -5.941 3.141 3.678 1.00 0.00 C ATOM 403 SG CYS A 29 -5.744 1.358 3.451 1.00 0.00 S ATOM 0 H CYS A 29 -4.808 2.408 6.404 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.127 4.664 5.182 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.854 3.462 3.175 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.112 3.652 3.189 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.569 1.111 2.952 1.00 0.00 H new ATOM 409 N GLU A 30 -8.390 3.426 5.533 1.00 0.00 N ATOM 410 CA GLU A 30 -9.609 2.892 6.129 1.00 0.00 C ATOM 411 C GLU A 30 -10.620 2.512 5.051 1.00 0.00 C ATOM 412 O GLU A 30 -10.565 3.014 3.928 1.00 0.00 O ATOM 413 CB GLU A 30 -10.226 3.915 7.085 1.00 0.00 C ATOM 414 CG GLU A 30 -9.650 3.860 8.490 1.00 0.00 C ATOM 415 CD GLU A 30 -10.373 4.781 9.454 1.00 0.00 C ATOM 416 OE1 GLU A 30 -10.385 6.006 9.209 1.00 0.00 O ATOM 417 OE2 GLU A 30 -10.928 4.276 10.452 1.00 0.00 O ATOM 0 H GLU A 30 -8.541 4.197 4.882 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.347 1.994 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.076 4.915 6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.302 3.749 7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.705 2.837 8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.595 4.131 8.457 1.00 0.00 H new ATOM 424 N VAL A 31 -11.543 1.622 5.401 1.00 0.00 N ATOM 425 CA VAL A 31 -12.567 1.175 4.465 1.00 0.00 C ATOM 426 C VAL A 31 -13.958 1.274 5.082 1.00 0.00 C ATOM 427 O VAL A 31 -14.113 1.724 6.218 1.00 0.00 O ATOM 428 CB VAL A 31 -12.320 -0.277 4.014 1.00 0.00 C ATOM 429 CG1 VAL A 31 -11.245 -0.327 2.939 1.00 0.00 C ATOM 430 CG2 VAL A 31 -11.938 -1.146 5.203 1.00 0.00 C ATOM 0 H VAL A 31 -11.602 1.196 6.326 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.510 1.832 3.597 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.244 -0.669 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.084 -1.361 2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.564 0.261 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.316 0.083 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.767 -2.169 4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.028 -0.758 5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.745 -1.135 5.936 1.00 0.00 H new ATOM 440 N SER A 32 -14.966 0.849 4.328 1.00 0.00 N ATOM 441 CA SER A 32 -16.345 0.893 4.800 1.00 0.00 C ATOM 442 C SER A 32 -16.688 -0.365 5.592 1.00 0.00 C ATOM 443 O SER A 32 -17.534 -0.336 6.486 1.00 0.00 O ATOM 444 CB SER A 32 -17.306 1.043 3.619 1.00 0.00 C ATOM 445 OG SER A 32 -18.651 0.871 4.031 1.00 0.00 O ATOM 0 H SER A 32 -14.854 0.470 3.388 1.00 0.00 H new ATOM 0 HA SER A 32 -16.451 1.756 5.457 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.183 2.028 3.169 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.061 0.309 2.851 1.00 0.00 H new ATOM 0 HG SER A 32 -19.245 0.973 3.259 1.00 0.00 H new ATOM 451 N GLU A 33 -16.025 -1.467 5.257 1.00 0.00 N ATOM 452 CA GLU A 33 -16.260 -2.736 5.936 1.00 0.00 C ATOM 453 C GLU A 33 -14.978 -3.252 6.584 1.00 0.00 C ATOM 454 O GLU A 33 -13.894 -3.145 6.011 1.00 0.00 O ATOM 455 CB GLU A 33 -16.801 -3.774 4.952 1.00 0.00 C ATOM 456 CG GLU A 33 -17.983 -3.280 4.134 1.00 0.00 C ATOM 457 CD GLU A 33 -18.716 -4.405 3.429 1.00 0.00 C ATOM 458 OE1 GLU A 33 -18.126 -5.017 2.515 1.00 0.00 O ATOM 459 OE2 GLU A 33 -19.880 -4.673 3.793 1.00 0.00 O ATOM 0 H GLU A 33 -15.321 -1.507 4.520 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.000 -2.568 6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.001 -4.072 4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -17.099 -4.665 5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.678 -2.753 4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.633 -2.560 3.394 1.00 0.00 H new ATOM 466 N ASP A 34 -15.111 -3.812 7.781 1.00 0.00 N ATOM 467 CA ASP A 34 -13.965 -4.345 8.507 1.00 0.00 C ATOM 468 C ASP A 34 -13.329 -5.503 7.744 1.00 0.00 C ATOM 469 O ASP A 34 -13.919 -6.039 6.806 1.00 0.00 O ATOM 470 CB ASP A 34 -14.388 -4.809 9.902 1.00 0.00 C ATOM 471 CG ASP A 34 -13.542 -5.958 10.412 1.00 0.00 C ATOM 472 OD1 ASP A 34 -12.473 -5.692 11.001 1.00 0.00 O ATOM 473 OD2 ASP A 34 -13.947 -7.125 10.221 1.00 0.00 O ATOM 0 H ASP A 34 -16.001 -3.909 8.269 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.227 -3.549 8.606 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.316 -3.972 10.597 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.434 -5.115 9.878 1.00 0.00 H new ATOM 478 N ASP A 35 -12.123 -5.882 8.152 1.00 0.00 N ATOM 479 CA ASP A 35 -11.407 -6.976 7.507 1.00 0.00 C ATOM 480 C ASP A 35 -11.674 -6.990 6.005 1.00 0.00 C ATOM 481 O ASP A 35 -12.037 -8.019 5.438 1.00 0.00 O ATOM 482 CB ASP A 35 -11.816 -8.315 8.122 1.00 0.00 C ATOM 483 CG ASP A 35 -10.725 -9.362 8.010 1.00 0.00 C ATOM 484 OD1 ASP A 35 -9.552 -8.977 7.824 1.00 0.00 O ATOM 485 OD2 ASP A 35 -11.044 -10.565 8.108 1.00 0.00 O ATOM 0 H ASP A 35 -11.621 -5.448 8.926 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.340 -6.822 7.667 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.067 -8.167 9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.717 -8.679 7.627 1.00 0.00 H new ATOM 490 N ALA A 36 -11.491 -5.838 5.366 1.00 0.00 N ATOM 491 CA ALA A 36 -11.711 -5.718 3.930 1.00 0.00 C ATOM 492 C ALA A 36 -10.469 -6.131 3.148 1.00 0.00 C ATOM 493 O ALA A 36 -9.530 -5.351 2.999 1.00 0.00 O ATOM 494 CB ALA A 36 -12.110 -4.293 3.576 1.00 0.00 C ATOM 0 H ALA A 36 -11.191 -4.975 5.820 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.523 -6.391 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.271 -4.217 2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.029 -4.032 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.316 -3.608 3.873 1.00 0.00 H new ATOM 500 N ASN A 37 -10.472 -7.364 2.651 1.00 0.00 N ATOM 501 CA ASN A 37 -9.344 -7.882 1.885 1.00 0.00 C ATOM 502 C ASN A 37 -9.026 -6.971 0.703 1.00 0.00 C ATOM 503 O ASN A 37 -9.518 -7.180 -0.406 1.00 0.00 O ATOM 504 CB ASN A 37 -9.646 -9.296 1.386 1.00 0.00 C ATOM 505 CG ASN A 37 -8.564 -9.829 0.467 1.00 0.00 C ATOM 506 OD1 ASN A 37 -7.499 -10.249 0.921 1.00 0.00 O ATOM 507 ND2 ASN A 37 -8.831 -9.812 -0.834 1.00 0.00 N ATOM 0 H ASN A 37 -11.243 -8.023 2.765 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.475 -7.914 2.542 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.755 -9.964 2.240 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.600 -9.296 0.858 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.140 -10.156 -1.501 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.727 -9.455 -1.166 1.00 0.00 H new ATOM 514 N VAL A 38 -8.198 -5.960 0.948 1.00 0.00 N ATOM 515 CA VAL A 38 -7.812 -5.018 -0.096 1.00 0.00 C ATOM 516 C VAL A 38 -6.639 -5.552 -0.911 1.00 0.00 C ATOM 517 O VAL A 38 -5.909 -6.437 -0.464 1.00 0.00 O ATOM 518 CB VAL A 38 -7.430 -3.649 0.497 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.538 -3.130 1.400 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.114 -3.745 1.255 1.00 0.00 C ATOM 0 H VAL A 38 -7.782 -5.772 1.860 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.677 -4.895 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.300 -2.941 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.250 -2.162 1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.456 -3.021 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.703 -3.834 2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.859 -2.769 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.213 -4.467 2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.326 -4.069 0.576 1.00 0.00 H new ATOM 530 N LYS A 39 -6.463 -5.008 -2.111 1.00 0.00 N ATOM 531 CA LYS A 39 -5.378 -5.426 -2.990 1.00 0.00 C ATOM 532 C LYS A 39 -4.431 -4.266 -3.276 1.00 0.00 C ATOM 533 O LYS A 39 -4.792 -3.313 -3.967 1.00 0.00 O ATOM 534 CB LYS A 39 -5.941 -5.975 -4.303 1.00 0.00 C ATOM 535 CG LYS A 39 -6.403 -7.419 -4.211 1.00 0.00 C ATOM 536 CD LYS A 39 -7.159 -7.843 -5.459 1.00 0.00 C ATOM 537 CE LYS A 39 -6.979 -9.326 -5.742 1.00 0.00 C ATOM 538 NZ LYS A 39 -7.990 -9.832 -6.712 1.00 0.00 N ATOM 0 H LYS A 39 -7.059 -4.276 -2.497 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.817 -6.213 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.780 -5.353 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.178 -5.895 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.540 -8.070 -4.069 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.043 -7.542 -3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.219 -7.621 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.808 -7.263 -6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.978 -9.502 -6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.058 -9.886 -4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.834 -10.847 -6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.945 -9.688 -6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.898 -9.316 -7.610 1.00 0.00 H new ATOM 552 N TRP A 40 -3.218 -4.352 -2.741 1.00 0.00 N ATOM 553 CA TRP A 40 -2.219 -3.309 -2.941 1.00 0.00 C ATOM 554 C TRP A 40 -1.445 -3.537 -4.235 1.00 0.00 C ATOM 555 O TRP A 40 -0.800 -4.571 -4.410 1.00 0.00 O ATOM 556 CB TRP A 40 -1.253 -3.266 -1.756 1.00 0.00 C ATOM 557 CG TRP A 40 -1.933 -3.010 -0.445 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.597 -3.920 0.326 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.016 -1.759 0.247 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.088 -3.311 1.456 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.745 -1.985 1.431 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.545 -0.470 -0.018 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -3.012 -0.970 2.346 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.812 0.536 0.891 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.539 0.282 2.061 1.00 0.00 C ATOM 0 H TRP A 40 -2.903 -5.133 -2.166 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.738 -2.353 -3.013 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.716 -4.213 -1.700 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.510 -2.488 -1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.719 -4.965 0.084 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.621 -3.772 2.194 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.983 -0.264 -0.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.572 -1.164 3.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.454 1.536 0.696 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.730 1.090 2.752 1.00 0.00 H new ATOM 576 N PHE A 41 -1.513 -2.565 -5.139 1.00 0.00 N ATOM 577 CA PHE A 41 -0.818 -2.661 -6.418 1.00 0.00 C ATOM 578 C PHE A 41 0.292 -1.619 -6.513 1.00 0.00 C ATOM 579 O PHE A 41 0.124 -0.475 -6.091 1.00 0.00 O ATOM 580 CB PHE A 41 -1.805 -2.478 -7.573 1.00 0.00 C ATOM 581 CG PHE A 41 -2.934 -3.468 -7.559 1.00 0.00 C ATOM 582 CD1 PHE A 41 -4.005 -3.305 -6.695 1.00 0.00 C ATOM 583 CD2 PHE A 41 -2.925 -4.561 -8.411 1.00 0.00 C ATOM 584 CE1 PHE A 41 -5.045 -4.215 -6.680 1.00 0.00 C ATOM 585 CE2 PHE A 41 -3.963 -5.474 -8.400 1.00 0.00 C ATOM 586 CZ PHE A 41 -5.025 -5.301 -7.535 1.00 0.00 C ATOM 0 H PHE A 41 -2.042 -1.702 -5.010 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.369 -3.652 -6.486 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.216 -1.469 -7.533 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.267 -2.565 -8.517 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.027 -2.457 -6.026 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.098 -4.701 -9.091 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.873 -4.078 -6.000 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.943 -6.322 -9.068 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.838 -6.012 -7.526 1.00 0.00 H new ATOM 596 N LYS A 42 1.429 -2.024 -7.070 1.00 0.00 N ATOM 597 CA LYS A 42 2.569 -1.128 -7.222 1.00 0.00 C ATOM 598 C LYS A 42 2.739 -0.707 -8.678 1.00 0.00 C ATOM 599 O LYS A 42 3.226 -1.478 -9.504 1.00 0.00 O ATOM 600 CB LYS A 42 3.847 -1.805 -6.723 1.00 0.00 C ATOM 601 CG LYS A 42 5.113 -1.031 -7.048 1.00 0.00 C ATOM 602 CD LYS A 42 6.242 -1.383 -6.094 1.00 0.00 C ATOM 603 CE LYS A 42 7.508 -0.604 -6.418 1.00 0.00 C ATOM 604 NZ LYS A 42 8.340 -1.298 -7.439 1.00 0.00 N ATOM 0 H LYS A 42 1.585 -2.968 -7.424 1.00 0.00 H new ATOM 0 HA LYS A 42 2.381 -0.237 -6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.780 -1.938 -5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.917 -2.800 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.420 -1.247 -8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.910 0.039 -6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.934 -1.170 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.447 -2.452 -6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.241 0.389 -6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.091 -0.464 -5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.193 -0.736 -7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.616 -2.235 -7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.792 -1.409 -8.316 1.00 0.00 H new ATOM 618 N ASN A 43 2.337 0.522 -8.985 1.00 0.00 N ATOM 619 CA ASN A 43 2.446 1.045 -10.342 1.00 0.00 C ATOM 620 C ASN A 43 1.540 0.275 -11.297 1.00 0.00 C ATOM 621 O ASN A 43 1.790 0.222 -12.501 1.00 0.00 O ATOM 622 CB ASN A 43 3.896 0.970 -10.825 1.00 0.00 C ATOM 623 CG ASN A 43 4.853 1.695 -9.898 1.00 0.00 C ATOM 624 OD1 ASN A 43 5.661 1.071 -9.210 1.00 0.00 O ATOM 625 ND2 ASN A 43 4.764 3.020 -9.875 1.00 0.00 N ATOM 0 H ASN A 43 1.933 1.174 -8.313 1.00 0.00 H new ATOM 0 HA ASN A 43 2.128 2.087 -10.329 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.195 -0.075 -10.907 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.966 1.401 -11.824 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.381 3.562 -9.270 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.079 3.495 -10.463 1.00 0.00 H new ATOM 632 N GLY A 44 0.485 -0.322 -10.751 1.00 0.00 N ATOM 633 CA GLY A 44 -0.444 -1.081 -11.568 1.00 0.00 C ATOM 634 C GLY A 44 -0.319 -2.576 -11.350 1.00 0.00 C ATOM 635 O GLY A 44 -1.290 -3.315 -11.511 1.00 0.00 O ATOM 0 H GLY A 44 0.257 -0.294 -9.757 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.463 -0.768 -11.341 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.268 -0.854 -12.619 1.00 0.00 H new ATOM 639 N GLU A 45 0.878 -3.022 -10.983 1.00 0.00 N ATOM 640 CA GLU A 45 1.125 -4.439 -10.745 1.00 0.00 C ATOM 641 C GLU A 45 0.565 -4.869 -9.393 1.00 0.00 C ATOM 642 O GLU A 45 0.479 -4.069 -8.463 1.00 0.00 O ATOM 643 CB GLU A 45 2.625 -4.735 -10.806 1.00 0.00 C ATOM 644 CG GLU A 45 3.321 -4.630 -9.459 1.00 0.00 C ATOM 645 CD GLU A 45 4.808 -4.916 -9.546 1.00 0.00 C ATOM 646 OE1 GLU A 45 5.310 -5.107 -10.673 1.00 0.00 O ATOM 647 OE2 GLU A 45 5.468 -4.947 -8.487 1.00 0.00 O ATOM 0 H GLU A 45 1.692 -2.423 -10.844 1.00 0.00 H new ATOM 0 HA GLU A 45 0.618 -5.006 -11.526 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.773 -5.739 -11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.096 -4.042 -11.504 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.170 -3.629 -9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.861 -5.329 -8.761 1.00 0.00 H new ATOM 654 N GLU A 46 0.184 -6.139 -9.293 1.00 0.00 N ATOM 655 CA GLU A 46 -0.369 -6.675 -8.056 1.00 0.00 C ATOM 656 C GLU A 46 0.738 -7.204 -7.148 1.00 0.00 C ATOM 657 O GLU A 46 1.623 -7.936 -7.593 1.00 0.00 O ATOM 658 CB GLU A 46 -1.371 -7.792 -8.360 1.00 0.00 C ATOM 659 CG GLU A 46 -1.989 -8.410 -7.118 1.00 0.00 C ATOM 660 CD GLU A 46 -3.393 -8.930 -7.362 1.00 0.00 C ATOM 661 OE1 GLU A 46 -4.346 -8.128 -7.266 1.00 0.00 O ATOM 662 OE2 GLU A 46 -3.538 -10.136 -7.647 1.00 0.00 O ATOM 0 H GLU A 46 0.248 -6.815 -10.054 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.884 -5.865 -7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.166 -7.394 -8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.870 -8.572 -8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.358 -9.228 -6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.014 -7.667 -6.321 1.00 0.00 H new ATOM 669 N ILE A 47 0.681 -6.827 -5.875 1.00 0.00 N ATOM 670 CA ILE A 47 1.678 -7.263 -4.905 1.00 0.00 C ATOM 671 C ILE A 47 1.260 -8.568 -4.236 1.00 0.00 C ATOM 672 O ILE A 47 0.118 -8.716 -3.801 1.00 0.00 O ATOM 673 CB ILE A 47 1.914 -6.195 -3.821 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.482 -4.919 -4.446 1.00 0.00 C ATOM 675 CG2 ILE A 47 2.850 -6.728 -2.747 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.733 -3.815 -3.442 1.00 0.00 C ATOM 0 H ILE A 47 -0.044 -6.221 -5.492 1.00 0.00 H new ATOM 0 HA ILE A 47 2.606 -7.421 -5.455 1.00 0.00 H new ATOM 0 HB ILE A 47 0.958 -5.954 -3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.417 -5.157 -4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.790 -4.557 -5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.007 -5.961 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.408 -7.611 -2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.806 -6.994 -3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.135 -2.941 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.796 -3.549 -2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.449 -4.158 -2.695 1.00 0.00 H new ATOM 688 N ILE A 48 2.194 -9.510 -4.155 1.00 0.00 N ATOM 689 CA ILE A 48 1.923 -10.801 -3.535 1.00 0.00 C ATOM 690 C ILE A 48 2.889 -11.074 -2.388 1.00 0.00 C ATOM 691 O ILE A 48 3.962 -11.650 -2.571 1.00 0.00 O ATOM 692 CB ILE A 48 2.021 -11.948 -4.558 1.00 0.00 C ATOM 693 CG1 ILE A 48 1.017 -11.736 -5.693 1.00 0.00 C ATOM 694 CG2 ILE A 48 1.783 -13.288 -3.877 1.00 0.00 C ATOM 695 CD1 ILE A 48 -0.412 -12.033 -5.299 1.00 0.00 C ATOM 0 H ILE A 48 3.144 -9.403 -4.511 1.00 0.00 H new ATOM 0 HA ILE A 48 0.905 -10.757 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 48 3.025 -11.951 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.083 -10.704 -6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.293 -12.371 -6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.856 -14.088 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.533 -13.440 -3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.790 -13.297 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.068 -11.861 -6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.493 -13.073 -4.982 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.706 -11.379 -4.478 1.00 0.00 H new ATOM 707 N PRO A 49 2.502 -10.653 -1.175 1.00 0.00 N ATOM 708 CA PRO A 49 3.319 -10.843 0.027 1.00 0.00 C ATOM 709 C PRO A 49 3.394 -12.306 0.452 1.00 0.00 C ATOM 710 O PRO A 49 3.043 -13.203 -0.313 1.00 0.00 O ATOM 711 CB PRO A 49 2.587 -10.016 1.088 1.00 0.00 C ATOM 712 CG PRO A 49 1.174 -9.964 0.619 1.00 0.00 C ATOM 713 CD PRO A 49 1.236 -9.959 -0.883 1.00 0.00 C ATOM 0 HA PRO A 49 4.354 -10.539 -0.132 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.661 -10.480 2.072 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.013 -9.016 1.174 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.610 -10.823 0.983 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.672 -9.071 0.992 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.383 -10.477 -1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.233 -8.945 -1.282 1.00 0.00 H new ATOM 721 N GLY A 50 3.856 -12.539 1.677 1.00 0.00 N ATOM 722 CA GLY A 50 3.969 -13.895 2.181 1.00 0.00 C ATOM 723 C GLY A 50 5.000 -14.019 3.286 1.00 0.00 C ATOM 724 O GLY A 50 5.508 -13.024 3.803 1.00 0.00 O ATOM 0 H GLY A 50 4.154 -11.813 2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.999 -14.222 2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.237 -14.563 1.362 1.00 0.00 H new ATOM 775 N ARG A 54 8.920 -9.018 0.966 1.00 0.00 N ATOM 776 CA ARG A 54 9.318 -7.738 1.540 1.00 0.00 C ATOM 777 C ARG A 54 8.097 -6.940 1.988 1.00 0.00 C ATOM 778 O ARG A 54 8.097 -6.335 3.060 1.00 0.00 O ATOM 779 CB ARG A 54 10.124 -6.927 0.524 1.00 0.00 C ATOM 780 CG ARG A 54 11.566 -7.389 0.383 1.00 0.00 C ATOM 781 CD ARG A 54 12.442 -6.302 -0.220 1.00 0.00 C ATOM 782 NE ARG A 54 12.409 -6.320 -1.681 1.00 0.00 N ATOM 783 CZ ARG A 54 13.313 -5.716 -2.444 1.00 0.00 C ATOM 784 NH1 ARG A 54 14.316 -5.050 -1.888 1.00 0.00 N ATOM 785 NH2 ARG A 54 13.215 -5.777 -3.765 1.00 0.00 N ATOM 0 HA ARG A 54 9.941 -7.938 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.635 -6.989 -0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.115 -5.878 0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.956 -7.672 1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.604 -8.279 -0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.109 -5.328 0.138 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.469 -6.433 0.121 1.00 0.00 H new ATOM 0 HE ARG A 54 11.650 -6.824 -2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.395 -5.001 -0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.009 -4.587 -2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.445 -6.288 -4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.910 -5.313 -4.350 1.00 0.00 H new ATOM 799 N TYR A 55 7.057 -6.945 1.161 1.00 0.00 N ATOM 800 CA TYR A 55 5.831 -6.220 1.470 1.00 0.00 C ATOM 801 C TYR A 55 4.965 -7.007 2.449 1.00 0.00 C ATOM 802 O TYR A 55 4.792 -8.218 2.308 1.00 0.00 O ATOM 803 CB TYR A 55 5.044 -5.936 0.190 1.00 0.00 C ATOM 804 CG TYR A 55 5.833 -5.171 -0.849 1.00 0.00 C ATOM 805 CD1 TYR A 55 5.954 -3.788 -0.777 1.00 0.00 C ATOM 806 CD2 TYR A 55 6.455 -5.829 -1.902 1.00 0.00 C ATOM 807 CE1 TYR A 55 6.673 -3.084 -1.723 1.00 0.00 C ATOM 808 CE2 TYR A 55 7.177 -5.133 -2.852 1.00 0.00 C ATOM 809 CZ TYR A 55 7.283 -3.761 -2.759 1.00 0.00 C ATOM 810 OH TYR A 55 8.000 -3.065 -3.704 1.00 0.00 O ATOM 0 H TYR A 55 7.039 -7.443 0.271 1.00 0.00 H new ATOM 0 HA TYR A 55 6.107 -5.274 1.936 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.713 -6.881 -0.240 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.148 -5.370 0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.478 -3.255 0.033 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.373 -6.903 -1.979 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.757 -2.010 -1.652 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.656 -5.661 -3.664 1.00 0.00 H new ATOM 0 HH TYR A 55 8.366 -3.691 -4.363 1.00 0.00 H new ATOM 820 N ARG A 56 4.422 -6.310 3.442 1.00 0.00 N ATOM 821 CA ARG A 56 3.574 -6.942 4.445 1.00 0.00 C ATOM 822 C ARG A 56 2.255 -6.190 4.594 1.00 0.00 C ATOM 823 O ARG A 56 2.229 -5.049 5.057 1.00 0.00 O ATOM 824 CB ARG A 56 4.297 -6.998 5.792 1.00 0.00 C ATOM 825 CG ARG A 56 5.676 -7.633 5.718 1.00 0.00 C ATOM 826 CD ARG A 56 6.614 -7.052 6.765 1.00 0.00 C ATOM 827 NE ARG A 56 7.612 -8.023 7.204 1.00 0.00 N ATOM 828 CZ ARG A 56 7.392 -8.924 8.155 1.00 0.00 C ATOM 829 NH1 ARG A 56 6.216 -8.978 8.763 1.00 0.00 N ATOM 830 NH2 ARG A 56 8.351 -9.775 8.499 1.00 0.00 N ATOM 0 H ARG A 56 4.554 -5.307 3.573 1.00 0.00 H new ATOM 0 HA ARG A 56 3.357 -7.958 4.114 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.393 -5.986 6.185 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.686 -7.558 6.500 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.590 -8.710 5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.097 -7.477 4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.116 -6.176 6.355 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.034 -6.714 7.624 1.00 0.00 H new ATOM 0 HE ARG A 56 8.528 -8.009 6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.476 -8.326 8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.051 -9.671 9.493 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.258 -9.737 8.033 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.181 -10.467 9.229 1.00 0.00 H new ATOM 844 N ILE A 57 1.163 -6.836 4.199 1.00 0.00 N ATOM 845 CA ILE A 57 -0.158 -6.229 4.289 1.00 0.00 C ATOM 846 C ILE A 57 -0.892 -6.693 5.543 1.00 0.00 C ATOM 847 O ILE A 57 -1.286 -7.854 5.650 1.00 0.00 O ATOM 848 CB ILE A 57 -1.016 -6.560 3.054 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.300 -6.120 1.776 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.379 -5.893 3.161 1.00 0.00 C ATOM 851 CD1 ILE A 57 -0.650 -6.959 0.567 1.00 0.00 C ATOM 0 H ILE A 57 1.168 -7.780 3.813 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.006 -5.151 4.337 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.164 -7.639 3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.549 -5.079 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.777 -6.164 1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.973 -6.137 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.890 -6.251 4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.251 -4.812 3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.106 -6.590 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.375 -7.997 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.722 -6.895 0.378 1.00 0.00 H new ATOM 863 N ARG A 58 -1.074 -5.777 6.489 1.00 0.00 N ATOM 864 CA ARG A 58 -1.762 -6.091 7.735 1.00 0.00 C ATOM 865 C ARG A 58 -3.128 -5.415 7.788 1.00 0.00 C ATOM 866 O ARG A 58 -3.316 -4.327 7.245 1.00 0.00 O ATOM 867 CB ARG A 58 -0.917 -5.653 8.933 1.00 0.00 C ATOM 868 CG ARG A 58 -1.701 -5.569 10.233 1.00 0.00 C ATOM 869 CD ARG A 58 -0.778 -5.397 11.429 1.00 0.00 C ATOM 870 NE ARG A 58 0.093 -6.554 11.619 1.00 0.00 N ATOM 871 CZ ARG A 58 1.150 -6.554 12.423 1.00 0.00 C ATOM 872 NH1 ARG A 58 1.465 -5.464 13.110 1.00 0.00 N ATOM 873 NH2 ARG A 58 1.895 -7.646 12.543 1.00 0.00 N ATOM 0 H ARG A 58 -0.754 -4.811 6.416 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.909 -7.170 7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.092 -6.354 9.061 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.477 -4.679 8.720 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.397 -4.732 10.186 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.297 -6.473 10.359 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.169 -4.504 11.291 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.375 -5.241 12.328 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.122 -7.409 11.106 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.895 -4.623 13.022 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.277 -5.467 13.727 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.656 -8.487 12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.707 -7.644 13.161 1.00 0.00 H new ATOM 887 N VAL A 59 -4.081 -6.068 8.446 1.00 0.00 N ATOM 888 CA VAL A 59 -5.431 -5.531 8.571 1.00 0.00 C ATOM 889 C VAL A 59 -5.780 -5.255 10.029 1.00 0.00 C ATOM 890 O VAL A 59 -6.040 -6.179 10.800 1.00 0.00 O ATOM 891 CB VAL A 59 -6.476 -6.494 7.977 1.00 0.00 C ATOM 892 CG1 VAL A 59 -7.884 -6.014 8.291 1.00 0.00 C ATOM 893 CG2 VAL A 59 -6.275 -6.637 6.475 1.00 0.00 C ATOM 0 H VAL A 59 -3.943 -6.970 8.901 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.452 -4.595 8.012 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.342 -7.475 8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.609 -6.707 7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.020 -5.968 9.371 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.034 -5.023 7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.022 -7.321 6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.381 -5.662 5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.278 -7.031 6.277 1.00 0.00 H new ATOM 903 N GLU A 60 -5.785 -3.979 10.400 1.00 0.00 N ATOM 904 CA GLU A 60 -6.102 -3.583 11.767 1.00 0.00 C ATOM 905 C GLU A 60 -7.528 -3.045 11.860 1.00 0.00 C ATOM 906 O GLU A 60 -7.807 -1.920 11.449 1.00 0.00 O ATOM 907 CB GLU A 60 -5.113 -2.523 12.257 1.00 0.00 C ATOM 908 CG GLU A 60 -4.852 -2.581 13.753 1.00 0.00 C ATOM 909 CD GLU A 60 -5.849 -1.764 14.551 1.00 0.00 C ATOM 910 OE1 GLU A 60 -7.030 -1.710 14.149 1.00 0.00 O ATOM 911 OE2 GLU A 60 -5.448 -1.179 15.579 1.00 0.00 O ATOM 0 H GLU A 60 -5.573 -3.202 9.774 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.022 -4.465 12.402 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.169 -2.646 11.727 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.496 -1.535 12.001 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.890 -3.619 14.085 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.845 -2.218 13.957 1.00 0.00 H new ATOM 918 N GLY A 61 -8.427 -3.860 12.404 1.00 0.00 N ATOM 919 CA GLY A 61 -9.812 -3.451 12.541 1.00 0.00 C ATOM 920 C GLY A 61 -10.454 -3.120 11.208 1.00 0.00 C ATOM 921 O GLY A 61 -10.771 -4.015 10.424 1.00 0.00 O ATOM 0 H GLY A 61 -8.220 -4.796 12.752 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.377 -4.248 13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.867 -2.580 13.194 1.00 0.00 H new ATOM 925 N LYS A 62 -10.647 -1.831 10.950 1.00 0.00 N ATOM 926 CA LYS A 62 -11.256 -1.383 9.703 1.00 0.00 C ATOM 927 C LYS A 62 -10.269 -0.561 8.880 1.00 0.00 C ATOM 928 O LYS A 62 -10.642 0.067 7.889 1.00 0.00 O ATOM 929 CB LYS A 62 -12.510 -0.555 9.992 1.00 0.00 C ATOM 930 CG LYS A 62 -13.232 -0.968 11.263 1.00 0.00 C ATOM 931 CD LYS A 62 -14.677 -0.499 11.261 1.00 0.00 C ATOM 932 CE LYS A 62 -15.440 -1.051 10.066 1.00 0.00 C ATOM 933 NZ LYS A 62 -15.402 -0.120 8.905 1.00 0.00 N ATOM 0 H LYS A 62 -10.390 -1.078 11.588 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.536 -2.265 9.127 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.232 0.496 10.067 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.196 -0.643 9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.201 -2.053 11.364 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.715 -0.552 12.128 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.165 -0.815 12.183 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.707 0.590 11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.014 -2.011 9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.476 -1.235 10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.350 0.277 8.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.732 0.651 9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.097 -0.637 8.055 1.00 0.00 H new ATOM 947 N LYS A 63 -9.007 -0.570 9.297 1.00 0.00 N ATOM 948 CA LYS A 63 -7.965 0.173 8.598 1.00 0.00 C ATOM 949 C LYS A 63 -6.793 -0.737 8.243 1.00 0.00 C ATOM 950 O LYS A 63 -6.327 -1.517 9.074 1.00 0.00 O ATOM 951 CB LYS A 63 -7.476 1.339 9.459 1.00 0.00 C ATOM 952 CG LYS A 63 -6.315 0.979 10.369 1.00 0.00 C ATOM 953 CD LYS A 63 -6.107 2.027 11.449 1.00 0.00 C ATOM 954 CE LYS A 63 -6.941 1.728 12.685 1.00 0.00 C ATOM 955 NZ LYS A 63 -6.378 2.372 13.904 1.00 0.00 N ATOM 0 H LYS A 63 -8.681 -1.084 10.116 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.391 0.565 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.175 2.159 8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.304 1.703 10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.502 0.010 10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.405 0.880 9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.052 2.066 11.721 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.372 3.010 11.059 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.961 2.078 12.528 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.993 0.650 12.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.975 2.144 14.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.414 2.019 14.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.351 3.403 13.771 1.00 0.00 H new ATOM 969 N HIS A 64 -6.321 -0.632 7.006 1.00 0.00 N ATOM 970 CA HIS A 64 -5.201 -1.444 6.542 1.00 0.00 C ATOM 971 C HIS A 64 -3.887 -0.679 6.667 1.00 0.00 C ATOM 972 O HIS A 64 -3.878 0.549 6.752 1.00 0.00 O ATOM 973 CB HIS A 64 -5.421 -1.872 5.091 1.00 0.00 C ATOM 974 CG HIS A 64 -6.462 -2.937 4.932 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.183 -4.195 4.443 1.00 0.00 N ATOM 976 CD2 HIS A 64 -7.789 -2.925 5.201 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.293 -4.911 4.417 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.282 -4.163 4.872 1.00 0.00 N ATOM 0 H HIS A 64 -6.696 0.008 6.306 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.144 -2.333 7.170 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.712 -1.001 4.504 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.478 -2.233 4.680 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.354 -2.096 5.600 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.377 -5.934 4.081 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.254 -4.458 4.964 1.00 0.00 H new ATOM 987 N ILE A 65 -2.780 -1.413 6.677 1.00 0.00 N ATOM 988 CA ILE A 65 -1.460 -0.804 6.790 1.00 0.00 C ATOM 989 C ILE A 65 -0.431 -1.562 5.958 1.00 0.00 C ATOM 990 O ILE A 65 -0.170 -2.741 6.198 1.00 0.00 O ATOM 991 CB ILE A 65 -0.986 -0.756 8.255 1.00 0.00 C ATOM 992 CG1 ILE A 65 -1.938 0.098 9.094 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.432 -0.212 8.335 1.00 0.00 C ATOM 994 CD1 ILE A 65 -3.060 -0.694 9.729 1.00 0.00 C ATOM 0 H ILE A 65 -2.770 -2.431 6.608 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.549 0.214 6.412 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.989 -1.770 8.656 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.369 0.599 9.877 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.366 0.877 8.463 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.753 -0.184 9.376 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.102 -0.857 7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.459 0.796 7.920 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.695 -0.024 10.309 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.653 -1.173 8.950 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.641 -1.456 10.386 1.00 0.00 H new ATOM 1006 N LEU A 66 0.152 -0.876 4.982 1.00 0.00 N ATOM 1007 CA LEU A 66 1.156 -1.484 4.114 1.00 0.00 C ATOM 1008 C LEU A 66 2.558 -1.015 4.492 1.00 0.00 C ATOM 1009 O LEU A 66 2.909 0.148 4.291 1.00 0.00 O ATOM 1010 CB LEU A 66 0.868 -1.142 2.651 1.00 0.00 C ATOM 1011 CG LEU A 66 1.869 -1.680 1.628 1.00 0.00 C ATOM 1012 CD1 LEU A 66 1.583 -3.141 1.318 1.00 0.00 C ATOM 1013 CD2 LEU A 66 1.830 -0.846 0.355 1.00 0.00 C ATOM 0 H LEU A 66 -0.052 0.101 4.771 1.00 0.00 H new ATOM 0 HA LEU A 66 1.107 -2.565 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.121 -1.523 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.826 -0.057 2.553 1.00 0.00 H new ATOM 0 HG LEU A 66 2.869 -1.610 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.306 -3.506 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.662 -3.729 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.576 -3.236 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.549 -1.243 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.829 -0.885 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.084 0.188 0.589 1.00 0.00 H new ATOM 1025 N ILE A 67 3.354 -1.927 5.037 1.00 0.00 N ATOM 1026 CA ILE A 67 4.719 -1.608 5.439 1.00 0.00 C ATOM 1027 C ILE A 67 5.727 -2.118 4.416 1.00 0.00 C ATOM 1028 O ILE A 67 5.603 -3.234 3.910 1.00 0.00 O ATOM 1029 CB ILE A 67 5.055 -2.207 6.817 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.509 -1.908 7.187 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.799 -3.707 6.819 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.496 -2.894 6.602 1.00 0.00 C ATOM 0 H ILE A 67 3.078 -2.893 5.211 1.00 0.00 H new ATOM 0 HA ILE A 67 4.784 -0.522 5.499 1.00 0.00 H new ATOM 0 HB ILE A 67 4.408 -1.747 7.564 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.764 -0.905 6.845 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.607 -1.909 8.273 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.041 -4.116 7.800 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.749 -3.897 6.596 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.423 -4.184 6.063 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.507 -2.621 6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.267 -3.896 6.964 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.426 -2.877 5.514 1.00 0.00 H new ATOM 1044 N ILE A 68 6.726 -1.295 4.116 1.00 0.00 N ATOM 1045 CA ILE A 68 7.758 -1.665 3.155 1.00 0.00 C ATOM 1046 C ILE A 68 9.139 -1.662 3.803 1.00 0.00 C ATOM 1047 O ILE A 68 9.717 -0.604 4.049 1.00 0.00 O ATOM 1048 CB ILE A 68 7.769 -0.712 1.946 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.343 -0.471 1.446 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.637 -1.278 0.833 1.00 0.00 C ATOM 1051 CD1 ILE A 68 6.245 0.617 0.400 1.00 0.00 C ATOM 0 H ILE A 68 6.843 -0.368 4.524 1.00 0.00 H new ATOM 0 HA ILE A 68 7.522 -2.672 2.811 1.00 0.00 H new ATOM 0 HB ILE A 68 8.191 0.243 2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.951 -1.399 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.709 -0.208 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.634 -0.593 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.657 -1.403 1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.242 -2.244 0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.206 0.733 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.607 1.557 0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.852 0.347 -0.464 1.00 0.00 H new ATOM 1063 N GLU A 69 9.662 -2.853 4.075 1.00 0.00 N ATOM 1064 CA GLU A 69 10.975 -2.987 4.693 1.00 0.00 C ATOM 1065 C GLU A 69 12.079 -2.592 3.716 1.00 0.00 C ATOM 1066 O GLU A 69 12.384 -3.325 2.777 1.00 0.00 O ATOM 1067 CB GLU A 69 11.194 -4.424 5.172 1.00 0.00 C ATOM 1068 CG GLU A 69 10.701 -4.675 6.587 1.00 0.00 C ATOM 1069 CD GLU A 69 10.269 -6.112 6.808 1.00 0.00 C ATOM 1070 OE1 GLU A 69 9.831 -6.757 5.833 1.00 0.00 O ATOM 1071 OE2 GLU A 69 10.369 -6.591 7.957 1.00 0.00 O ATOM 0 H GLU A 69 9.196 -3.739 3.877 1.00 0.00 H new ATOM 0 HA GLU A 69 11.014 -2.315 5.551 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.684 -5.106 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.257 -4.657 5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.493 -4.425 7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.863 -4.011 6.799 1.00 0.00 H new ATOM 1078 N GLY A 70 12.675 -1.426 3.946 1.00 0.00 N ATOM 1079 CA GLY A 70 13.737 -0.952 3.078 1.00 0.00 C ATOM 1080 C GLY A 70 13.210 -0.181 1.884 1.00 0.00 C ATOM 1081 O GLY A 70 13.136 -0.714 0.777 1.00 0.00 O ATOM 0 H GLY A 70 12.441 -0.801 4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.411 -0.314 3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.322 -1.802 2.728 1.00 0.00 H new ATOM 1085 N ALA A 71 12.842 1.076 2.108 1.00 0.00 N ATOM 1086 CA ALA A 71 12.320 1.921 1.041 1.00 0.00 C ATOM 1087 C ALA A 71 13.451 2.535 0.224 1.00 0.00 C ATOM 1088 O ALA A 71 13.978 3.593 0.570 1.00 0.00 O ATOM 1089 CB ALA A 71 11.431 3.012 1.620 1.00 0.00 C ATOM 0 H ALA A 71 12.896 1.532 3.019 1.00 0.00 H new ATOM 0 HA ALA A 71 11.724 1.297 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.048 3.636 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.597 2.557 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 71 12.011 3.626 2.309 1.00 0.00 H new ATOM 1095 N THR A 72 13.821 1.865 -0.864 1.00 0.00 N ATOM 1096 CA THR A 72 14.891 2.344 -1.729 1.00 0.00 C ATOM 1097 C THR A 72 14.356 3.309 -2.782 1.00 0.00 C ATOM 1098 O THR A 72 13.145 3.433 -2.967 1.00 0.00 O ATOM 1099 CB THR A 72 15.607 1.178 -2.435 1.00 0.00 C ATOM 1100 OG1 THR A 72 15.560 0.005 -1.614 1.00 0.00 O ATOM 1101 CG2 THR A 72 17.055 1.534 -2.736 1.00 0.00 C ATOM 0 H THR A 72 13.395 0.989 -1.166 1.00 0.00 H new ATOM 0 HA THR A 72 15.604 2.865 -1.091 1.00 0.00 H new ATOM 0 HB THR A 72 15.094 0.983 -3.377 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.016 -0.732 -2.071 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.540 0.695 -3.235 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.087 2.409 -3.385 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.577 1.753 -1.805 1.00 0.00 H new ATOM 1109 N LYS A 73 15.266 3.989 -3.471 1.00 0.00 N ATOM 1110 CA LYS A 73 14.886 4.942 -4.507 1.00 0.00 C ATOM 1111 C LYS A 73 13.809 4.358 -5.415 1.00 0.00 C ATOM 1112 O LYS A 73 12.952 5.081 -5.922 1.00 0.00 O ATOM 1113 CB LYS A 73 16.109 5.336 -5.339 1.00 0.00 C ATOM 1114 CG LYS A 73 17.235 5.939 -4.517 1.00 0.00 C ATOM 1115 CD LYS A 73 16.865 7.316 -3.990 1.00 0.00 C ATOM 1116 CE LYS A 73 17.164 8.402 -5.012 1.00 0.00 C ATOM 1117 NZ LYS A 73 18.625 8.548 -5.256 1.00 0.00 N ATOM 0 H LYS A 73 16.272 3.898 -3.331 1.00 0.00 H new ATOM 0 HA LYS A 73 14.484 5.830 -4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.483 4.455 -5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.804 6.052 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.470 5.280 -3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.134 6.012 -5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.805 7.337 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.418 7.516 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.661 8.166 -5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.758 9.351 -4.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.820 9.494 -5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 19.140 8.426 -4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.937 7.826 -5.936 1.00 0.00 H new ATOM 1131 N ALA A 74 13.857 3.045 -5.614 1.00 0.00 N ATOM 1132 CA ALA A 74 12.882 2.364 -6.458 1.00 0.00 C ATOM 1133 C ALA A 74 11.530 2.262 -5.761 1.00 0.00 C ATOM 1134 O ALA A 74 10.494 2.580 -6.346 1.00 0.00 O ATOM 1135 CB ALA A 74 13.388 0.980 -6.837 1.00 0.00 C ATOM 0 H ALA A 74 14.560 2.431 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 74 12.750 2.952 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.650 0.483 -7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.327 1.073 -7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.549 0.392 -5.934 1.00 0.00 H new ATOM 1141 N ASP A 75 11.546 1.816 -4.510 1.00 0.00 N ATOM 1142 CA ASP A 75 10.320 1.672 -3.733 1.00 0.00 C ATOM 1143 C ASP A 75 9.371 2.836 -3.996 1.00 0.00 C ATOM 1144 O ASP A 75 8.156 2.654 -4.075 1.00 0.00 O ATOM 1145 CB ASP A 75 10.644 1.588 -2.240 1.00 0.00 C ATOM 1146 CG ASP A 75 9.636 0.754 -1.475 1.00 0.00 C ATOM 1147 OD1 ASP A 75 9.082 -0.197 -2.066 1.00 0.00 O ATOM 1148 OD2 ASP A 75 9.402 1.050 -0.285 1.00 0.00 O ATOM 0 H ASP A 75 12.395 1.548 -4.012 1.00 0.00 H new ATOM 0 HA ASP A 75 9.829 0.749 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.638 1.160 -2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.673 2.594 -1.820 1.00 0.00 H new ATOM 1153 N ALA A 76 9.933 4.033 -4.129 1.00 0.00 N ATOM 1154 CA ALA A 76 9.136 5.227 -4.384 1.00 0.00 C ATOM 1155 C ALA A 76 8.306 5.072 -5.654 1.00 0.00 C ATOM 1156 O ALA A 76 8.792 5.316 -6.758 1.00 0.00 O ATOM 1157 CB ALA A 76 10.036 6.450 -4.485 1.00 0.00 C ATOM 0 H ALA A 76 10.937 4.202 -4.064 1.00 0.00 H new ATOM 0 HA ALA A 76 8.450 5.362 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.428 7.334 -4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.581 6.579 -3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.745 6.314 -5.302 1.00 0.00 H new ATOM 1163 N ALA A 77 7.052 4.666 -5.489 1.00 0.00 N ATOM 1164 CA ALA A 77 6.154 4.480 -6.623 1.00 0.00 C ATOM 1165 C ALA A 77 4.706 4.749 -6.226 1.00 0.00 C ATOM 1166 O ALA A 77 4.395 4.897 -5.045 1.00 0.00 O ATOM 1167 CB ALA A 77 6.296 3.073 -7.184 1.00 0.00 C ATOM 0 H ALA A 77 6.634 4.459 -4.582 1.00 0.00 H new ATOM 0 HA ALA A 77 6.431 5.197 -7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.620 2.949 -8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.323 2.915 -7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.047 2.346 -6.411 1.00 0.00 H new ATOM 1173 N GLU A 78 3.827 4.813 -7.221 1.00 0.00 N ATOM 1174 CA GLU A 78 2.412 5.066 -6.975 1.00 0.00 C ATOM 1175 C GLU A 78 1.719 3.813 -6.448 1.00 0.00 C ATOM 1176 O GLU A 78 1.420 2.890 -7.207 1.00 0.00 O ATOM 1177 CB GLU A 78 1.726 5.542 -8.257 1.00 0.00 C ATOM 1178 CG GLU A 78 0.232 5.772 -8.098 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.412 6.315 -9.358 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -0.058 5.839 -10.457 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -1.269 7.217 -9.246 1.00 0.00 O ATOM 0 H GLU A 78 4.070 4.693 -8.204 1.00 0.00 H new ATOM 0 HA GLU A 78 2.335 5.847 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.195 6.469 -8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.890 4.804 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.249 4.833 -7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.061 6.469 -7.278 1.00 0.00 H new ATOM 1188 N TYR A 79 1.466 3.788 -5.145 1.00 0.00 N ATOM 1189 CA TYR A 79 0.810 2.648 -4.515 1.00 0.00 C ATOM 1190 C TYR A 79 -0.703 2.837 -4.486 1.00 0.00 C ATOM 1191 O TYR A 79 -1.217 3.718 -3.797 1.00 0.00 O ATOM 1192 CB TYR A 79 1.338 2.450 -3.093 1.00 0.00 C ATOM 1193 CG TYR A 79 2.780 1.998 -3.040 1.00 0.00 C ATOM 1194 CD1 TYR A 79 3.819 2.918 -3.105 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.103 0.652 -2.925 1.00 0.00 C ATOM 1196 CE1 TYR A 79 5.138 2.510 -3.058 1.00 0.00 C ATOM 1197 CE2 TYR A 79 4.419 0.235 -2.875 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.433 1.167 -2.942 1.00 0.00 C ATOM 1199 OH TYR A 79 6.745 0.756 -2.894 1.00 0.00 O ATOM 0 H TYR A 79 1.705 4.544 -4.504 1.00 0.00 H new ATOM 0 HA TYR A 79 1.035 1.760 -5.106 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.239 3.386 -2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.716 1.714 -2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.592 3.970 -3.194 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.312 -0.081 -2.874 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.934 3.238 -3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.652 -0.816 -2.784 1.00 0.00 H new ATOM 0 HH TYR A 79 7.335 1.536 -2.954 1.00 0.00 H new ATOM 1209 N SER A 80 -1.412 2.002 -5.240 1.00 0.00 N ATOM 1210 CA SER A 80 -2.867 2.079 -5.304 1.00 0.00 C ATOM 1211 C SER A 80 -3.501 0.770 -4.841 1.00 0.00 C ATOM 1212 O SER A 80 -3.068 -0.314 -5.232 1.00 0.00 O ATOM 1213 CB SER A 80 -3.320 2.402 -6.729 1.00 0.00 C ATOM 1214 OG SER A 80 -2.681 3.570 -7.215 1.00 0.00 O ATOM 0 H SER A 80 -1.003 1.265 -5.814 1.00 0.00 H new ATOM 0 HA SER A 80 -3.194 2.877 -4.637 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.095 1.561 -7.385 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.401 2.541 -6.748 1.00 0.00 H new ATOM 0 HG SER A 80 -2.986 3.754 -8.128 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.529 0.880 -4.006 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.224 -0.293 -3.490 1.00 0.00 C ATOM 1222 C VAL A 81 -6.511 -0.553 -4.263 1.00 0.00 C ATOM 1223 O VAL A 81 -6.998 0.314 -4.988 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.559 -0.134 -1.995 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.412 0.540 -1.259 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.850 0.651 -1.820 1.00 0.00 C ATOM 0 H VAL A 81 -4.899 1.770 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.551 -1.141 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.702 -1.125 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.667 0.644 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.511 -0.066 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.234 1.526 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.072 0.754 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.738 1.640 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.667 0.122 -2.312 1.00 0.00 H new ATOM 1236 N MET A 82 -7.058 -1.754 -4.104 1.00 0.00 N ATOM 1237 CA MET A 82 -8.291 -2.128 -4.787 1.00 0.00 C ATOM 1238 C MET A 82 -9.162 -3.006 -3.894 1.00 0.00 C ATOM 1239 O MET A 82 -8.724 -4.055 -3.419 1.00 0.00 O ATOM 1240 CB MET A 82 -7.974 -2.863 -6.091 1.00 0.00 C ATOM 1241 CG MET A 82 -9.025 -2.664 -7.171 1.00 0.00 C ATOM 1242 SD MET A 82 -9.042 -4.003 -8.379 1.00 0.00 S ATOM 1243 CE MET A 82 -8.579 -3.121 -9.868 1.00 0.00 C ATOM 0 H MET A 82 -6.667 -2.484 -3.509 1.00 0.00 H new ATOM 0 HA MET A 82 -8.841 -1.215 -5.017 1.00 0.00 H new ATOM 0 HB2 MET A 82 -7.010 -2.521 -6.466 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.875 -3.928 -5.883 1.00 0.00 H new ATOM 0 HG2 MET A 82 -10.008 -2.587 -6.706 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.840 -1.720 -7.683 1.00 0.00 H new ATOM 0 HE1 MET A 82 -8.546 -3.816 -10.707 1.00 0.00 H new ATOM 0 HE2 MET A 82 -9.312 -2.341 -10.072 1.00 0.00 H new ATOM 0 HE3 MET A 82 -7.597 -2.669 -9.732 1.00 0.00 H new ATOM 1253 N THR A 83 -10.398 -2.571 -3.668 1.00 0.00 N ATOM 1254 CA THR A 83 -11.330 -3.317 -2.831 1.00 0.00 C ATOM 1255 C THR A 83 -12.491 -3.863 -3.653 1.00 0.00 C ATOM 1256 O THR A 83 -12.522 -3.721 -4.876 1.00 0.00 O ATOM 1257 CB THR A 83 -11.888 -2.440 -1.694 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.517 -1.275 -2.238 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.780 -2.025 -0.738 1.00 0.00 C ATOM 0 H THR A 83 -10.777 -1.706 -4.053 1.00 0.00 H new ATOM 0 HA THR A 83 -10.772 -4.148 -2.399 1.00 0.00 H new ATOM 0 HB THR A 83 -12.623 -3.024 -1.141 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.405 -1.165 -1.837 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.198 -1.407 0.056 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.323 -2.914 -0.303 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.025 -1.457 -1.281 1.00 0.00 H new ATOM 1267 N THR A 84 -13.448 -4.489 -2.975 1.00 0.00 N ATOM 1268 CA THR A 84 -14.612 -5.057 -3.642 1.00 0.00 C ATOM 1269 C THR A 84 -15.440 -3.972 -4.322 1.00 0.00 C ATOM 1270 O THR A 84 -16.130 -4.230 -5.308 1.00 0.00 O ATOM 1271 CB THR A 84 -15.508 -5.826 -2.652 1.00 0.00 C ATOM 1272 OG1 THR A 84 -15.649 -5.080 -1.438 1.00 0.00 O ATOM 1273 CG2 THR A 84 -14.924 -7.197 -2.346 1.00 0.00 C ATOM 0 H THR A 84 -13.439 -4.615 -1.963 1.00 0.00 H new ATOM 0 HA THR A 84 -14.237 -5.750 -4.395 1.00 0.00 H new ATOM 0 HB THR A 84 -16.487 -5.960 -3.111 1.00 0.00 H new ATOM 0 HG1 THR A 84 -15.980 -5.669 -0.728 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.574 -7.721 -1.645 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.845 -7.773 -3.268 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.934 -7.081 -1.905 1.00 0.00 H new ATOM 1281 N GLY A 85 -15.366 -2.756 -3.789 1.00 0.00 N ATOM 1282 CA GLY A 85 -16.113 -1.650 -4.359 1.00 0.00 C ATOM 1283 C GLY A 85 -15.461 -0.309 -4.087 1.00 0.00 C ATOM 1284 O GLY A 85 -16.138 0.661 -3.749 1.00 0.00 O ATOM 0 H GLY A 85 -14.802 -2.517 -2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.205 -1.794 -5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.123 -1.649 -3.950 1.00 0.00 H new ATOM 1288 N GLY A 86 -14.141 -0.254 -4.234 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.419 0.982 -3.996 1.00 0.00 C ATOM 1290 C GLY A 86 -11.968 0.899 -4.429 1.00 0.00 C ATOM 1291 O GLY A 86 -11.439 -0.192 -4.638 1.00 0.00 O ATOM 0 H GLY A 86 -13.559 -1.043 -4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.909 1.794 -4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.465 1.227 -2.935 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.325 2.054 -4.564 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.928 2.107 -4.977 1.00 0.00 C ATOM 1297 C GLN A 87 -9.260 3.382 -4.475 1.00 0.00 C ATOM 1298 O GLN A 87 -9.925 4.389 -4.231 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.821 2.026 -6.501 1.00 0.00 C ATOM 1300 CG GLN A 87 -8.401 1.816 -7.001 1.00 0.00 C ATOM 1301 CD GLN A 87 -8.234 2.193 -8.460 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -8.066 3.366 -8.794 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -8.279 1.198 -9.337 1.00 0.00 N ATOM 0 H GLN A 87 -11.749 2.966 -4.393 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.413 1.252 -4.538 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.448 1.209 -6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.218 2.944 -6.934 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.715 2.409 -6.396 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.123 0.771 -6.866 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.420 0.240 -9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.172 1.391 -10.333 1.00 0.00 H new ATOM 1312 N SER A 88 -7.940 3.333 -4.323 1.00 0.00 N ATOM 1313 CA SER A 88 -7.182 4.483 -3.846 1.00 0.00 C ATOM 1314 C SER A 88 -5.794 4.520 -4.479 1.00 0.00 C ATOM 1315 O SER A 88 -5.293 3.504 -4.961 1.00 0.00 O ATOM 1316 CB SER A 88 -7.058 4.443 -2.322 1.00 0.00 C ATOM 1317 OG SER A 88 -6.615 5.689 -1.813 1.00 0.00 O ATOM 0 H SER A 88 -7.374 2.509 -4.524 1.00 0.00 H new ATOM 0 HA SER A 88 -7.719 5.386 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.023 4.189 -1.882 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.359 3.659 -2.031 1.00 0.00 H new ATOM 0 HG SER A 88 -7.130 6.413 -2.226 1.00 0.00 H new ATOM 1323 N SER A 89 -5.179 5.698 -4.474 1.00 0.00 N ATOM 1324 CA SER A 89 -3.851 5.870 -5.051 1.00 0.00 C ATOM 1325 C SER A 89 -3.059 6.927 -4.288 1.00 0.00 C ATOM 1326 O SER A 89 -3.622 7.904 -3.796 1.00 0.00 O ATOM 1327 CB SER A 89 -3.959 6.263 -6.526 1.00 0.00 C ATOM 1328 OG SER A 89 -4.933 7.276 -6.713 1.00 0.00 O ATOM 0 H SER A 89 -5.579 6.548 -4.077 1.00 0.00 H new ATOM 0 HA SER A 89 -3.323 4.920 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.991 6.614 -6.884 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.221 5.388 -7.121 1.00 0.00 H new ATOM 0 HG SER A 89 -4.982 7.511 -7.663 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.749 6.723 -4.194 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.879 7.658 -3.493 1.00 0.00 C ATOM 1336 C ALA A 90 0.454 7.817 -4.217 1.00 0.00 C ATOM 1337 O ALA A 90 0.716 7.141 -5.212 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.652 7.196 -2.061 1.00 0.00 C ATOM 0 H ALA A 90 -1.267 5.918 -4.595 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.371 8.630 -3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.000 7.904 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.608 7.141 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.185 6.211 -2.066 1.00 0.00 H new ATOM 1344 N LYS A 91 1.293 8.715 -3.712 1.00 0.00 N ATOM 1345 CA LYS A 91 2.600 8.962 -4.310 1.00 0.00 C ATOM 1346 C LYS A 91 3.704 8.869 -3.262 1.00 0.00 C ATOM 1347 O LYS A 91 3.737 9.648 -2.308 1.00 0.00 O ATOM 1348 CB LYS A 91 2.627 10.341 -4.973 1.00 0.00 C ATOM 1349 CG LYS A 91 2.029 10.356 -6.369 1.00 0.00 C ATOM 1350 CD LYS A 91 2.573 11.510 -7.196 1.00 0.00 C ATOM 1351 CE LYS A 91 3.829 11.109 -7.954 1.00 0.00 C ATOM 1352 NZ LYS A 91 4.094 12.014 -9.106 1.00 0.00 N ATOM 0 H LYS A 91 1.091 9.284 -2.890 1.00 0.00 H new ATOM 0 HA LYS A 91 2.776 8.198 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.083 11.047 -4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.658 10.690 -5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.248 9.413 -6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.944 10.436 -6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.812 11.844 -7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.795 12.354 -6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.683 11.124 -7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.725 10.085 -8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.958 11.707 -9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.291 11.980 -9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.218 12.987 -8.761 1.00 0.00 H new ATOM 1366 N LEU A 92 4.607 7.912 -3.445 1.00 0.00 N ATOM 1367 CA LEU A 92 5.715 7.717 -2.516 1.00 0.00 C ATOM 1368 C LEU A 92 7.031 8.179 -3.133 1.00 0.00 C ATOM 1369 O LEU A 92 7.414 7.727 -4.212 1.00 0.00 O ATOM 1370 CB LEU A 92 5.816 6.245 -2.112 1.00 0.00 C ATOM 1371 CG LEU A 92 6.819 5.920 -1.005 1.00 0.00 C ATOM 1372 CD1 LEU A 92 6.466 6.666 0.272 1.00 0.00 C ATOM 1373 CD2 LEU A 92 6.867 4.420 -0.753 1.00 0.00 C ATOM 0 H LEU A 92 4.594 7.259 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 92 5.521 8.318 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.830 5.909 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.080 5.664 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 92 7.807 6.246 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.191 6.422 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.484 7.739 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.469 6.372 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.586 4.207 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.880 4.070 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.169 3.907 -1.666 1.00 0.00 H new ATOM 1385 N SER A 93 7.720 9.080 -2.440 1.00 0.00 N ATOM 1386 CA SER A 93 8.993 9.604 -2.921 1.00 0.00 C ATOM 1387 C SER A 93 10.124 9.252 -1.959 1.00 0.00 C ATOM 1388 O SER A 93 10.043 9.526 -0.762 1.00 0.00 O ATOM 1389 CB SER A 93 8.911 11.122 -3.096 1.00 0.00 C ATOM 1390 OG SER A 93 9.777 11.564 -4.126 1.00 0.00 O ATOM 0 H SER A 93 7.418 9.462 -1.544 1.00 0.00 H new ATOM 0 HA SER A 93 9.205 9.145 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.886 11.409 -3.330 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.174 11.614 -2.160 1.00 0.00 H new ATOM 0 HG SER A 93 9.705 12.537 -4.219 1.00 0.00 H new ATOM 1396 N VAL A 94 11.178 8.643 -2.492 1.00 0.00 N ATOM 1397 CA VAL A 94 12.326 8.253 -1.683 1.00 0.00 C ATOM 1398 C VAL A 94 13.521 9.162 -1.951 1.00 0.00 C ATOM 1399 O VAL A 94 13.991 9.268 -3.084 1.00 0.00 O ATOM 1400 CB VAL A 94 12.735 6.793 -1.954 1.00 0.00 C ATOM 1401 CG1 VAL A 94 13.960 6.420 -1.133 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.577 5.852 -1.655 1.00 0.00 C ATOM 0 H VAL A 94 11.261 8.409 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 94 12.025 8.350 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 94 12.991 6.695 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.234 5.385 -1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.790 7.075 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.735 6.533 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.883 4.825 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.289 5.951 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.729 6.106 -2.290 1.00 0.00 H new ATOM 1412 N ASP A 95 14.008 9.815 -0.902 1.00 0.00 N ATOM 1413 CA ASP A 95 15.149 10.714 -1.023 1.00 0.00 C ATOM 1414 C ASP A 95 16.344 10.184 -0.237 1.00 0.00 C ATOM 1415 O ASP A 95 16.199 9.313 0.622 1.00 0.00 O ATOM 1416 CB ASP A 95 14.778 12.113 -0.530 1.00 0.00 C ATOM 1417 CG ASP A 95 14.212 12.985 -1.633 1.00 0.00 C ATOM 1418 OD1 ASP A 95 14.980 13.367 -2.541 1.00 0.00 O ATOM 1419 OD2 ASP A 95 13.001 13.284 -1.589 1.00 0.00 O ATOM 0 H ASP A 95 13.630 9.738 0.042 1.00 0.00 H new ATOM 0 HA ASP A 95 15.426 10.770 -2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.047 12.029 0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.662 12.593 -0.109 1.00 0.00 H new