USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 967 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 94 LYS NZ :NH3+ -130:sc= 1.26 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 0.746 K(o=2.6,f=-6.3) USER MOD Set 1.3: A 111 ASN : amide:sc= 0.556 K(o=2.6,f=-1.1!) USER MOD Set 2.1: A 36 MET CE :methyl -162:sc= 0 (180deg=-0.0954) USER MOD Set 2.2: A 51 MET CE :methyl 151:sc= -0.398 (180deg=-1.97!) USER MOD Set 3.1: A 26 THR OG1 : rot -70:sc= 1.21 USER MOD Set 3.2: A 60 ASN : amide:sc= 0.0415 K(o=1.3,f=-0.16) USER MOD Set 3.3: A 62 THR OG1 : rot 171:sc= 0.00456 USER MOD Single : A 5 THR OG1 : rot -170:sc= 0.00191 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 69:sc= 0.337 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -90:sc= 1.18 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 79:sc= 0.423 USER MOD Single : A 38 SER OG : rot 64:sc= 1.31 USER MOD Single : A 41 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 42 ASN : amide:sc= 0.0439 K(o=0.044,f=-5.9!) USER MOD Single : A 44 THR OG1 : rot -101:sc= 1.22 USER MOD Single : A 49 GLN : amide:sc= -0.986 K(o=-0.99,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.0105 K(o=-0.011,f=-0.52) USER MOD Single : A 70 THR OG1 : rot 85:sc= 0.318 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -175:sc= -0.338 (180deg=-0.52) USER MOD Single : A 97 ASN : amide:sc= 0.11 K(o=0.11,f=-4.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -64:sc= 0.989 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 5:sc= 0.173 USER MOD Single : A 115 LYS NZ :NH3+ -169:sc= -0.0106 (180deg=-0.148) USER MOD Single : A 117 THR OG1 : rot -62:sc= 1.17 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.384 K(o=-0.38,f=-1.1) USER MOD Single : A 137 ASN : amide:sc= -0.26 K(o=-0.26,f=-7.4!) USER MOD Single : A 138 TYR OH : rot 130:sc= -0.594 USER MOD Single : A 143 GLN : amide:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : A 144 MET CE :methyl -131:sc= -0.221 (180deg=-1.01) USER MOD Single : A 145 MET CE :methyl 176:sc= 0 (180deg=-0.027) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -13.991 17.984 -0.162 1.00 0.00 N ATOM 59 CA THR A 5 -14.956 18.955 -0.577 1.00 0.00 C ATOM 60 C THR A 5 -16.221 18.254 -0.935 1.00 0.00 C ATOM 61 O THR A 5 -16.208 17.040 -1.133 1.00 0.00 O ATOM 62 CB THR A 5 -14.541 19.748 -1.781 1.00 0.00 C ATOM 63 OG1 THR A 5 -14.261 18.924 -2.903 1.00 0.00 O ATOM 64 CG2 THR A 5 -13.241 20.470 -1.392 1.00 0.00 C ATOM 0 HA THR A 5 -15.070 19.645 0.259 1.00 0.00 H new ATOM 0 HB THR A 5 -15.350 20.423 -2.061 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.846 19.463 -3.609 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.890 21.066 -2.234 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.428 21.122 -0.539 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.482 19.734 -1.127 1.00 0.00 H new ATOM 72 N GLU A 6 -17.345 18.972 -1.110 1.00 0.00 N ATOM 73 CA GLU A 6 -18.577 18.448 -1.611 1.00 0.00 C ATOM 74 C GLU A 6 -18.458 17.772 -2.934 1.00 0.00 C ATOM 75 O GLU A 6 -19.105 16.760 -3.200 1.00 0.00 O ATOM 76 CB GLU A 6 -19.578 19.611 -1.720 1.00 0.00 C ATOM 77 CG GLU A 6 -21.001 19.052 -1.798 1.00 0.00 C ATOM 78 CD GLU A 6 -22.018 20.146 -1.508 1.00 0.00 C ATOM 79 OE1 GLU A 6 -22.339 20.969 -2.407 1.00 0.00 O ATOM 80 OE2 GLU A 6 -22.586 20.093 -0.384 1.00 0.00 O ATOM 0 H GLU A 6 -17.396 19.967 -0.891 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.911 17.680 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.481 20.270 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -19.362 20.210 -2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -21.180 18.634 -2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -21.119 18.238 -1.082 1.00 0.00 H new ATOM 87 N GLU A 7 -17.532 18.208 -3.806 1.00 0.00 N ATOM 88 CA GLU A 7 -17.240 17.576 -5.055 1.00 0.00 C ATOM 89 C GLU A 7 -16.560 16.270 -4.829 1.00 0.00 C ATOM 90 O GLU A 7 -17.034 15.293 -5.408 1.00 0.00 O ATOM 91 CB GLU A 7 -16.325 18.627 -5.706 1.00 0.00 C ATOM 92 CG GLU A 7 -16.996 19.962 -6.038 1.00 0.00 C ATOM 93 CD GLU A 7 -16.119 20.785 -6.970 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.976 21.261 -6.740 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.683 20.934 -8.087 1.00 0.00 O ATOM 0 H GLU A 7 -16.962 19.036 -3.633 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.104 17.322 -5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.485 18.817 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.913 18.208 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.964 19.782 -6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.184 20.519 -5.120 1.00 0.00 H new ATOM 102 N GLN A 8 -15.524 16.168 -3.978 1.00 0.00 N ATOM 103 CA GLN A 8 -14.915 14.900 -3.722 1.00 0.00 C ATOM 104 C GLN A 8 -15.845 13.916 -3.100 1.00 0.00 C ATOM 105 O GLN A 8 -15.958 12.731 -3.408 1.00 0.00 O ATOM 106 CB GLN A 8 -13.552 14.888 -3.008 1.00 0.00 C ATOM 107 CG GLN A 8 -12.600 15.845 -3.729 1.00 0.00 C ATOM 108 CD GLN A 8 -11.273 15.883 -2.984 1.00 0.00 C ATOM 109 OE1 GLN A 8 -11.058 16.423 -1.900 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.230 15.239 -3.573 1.00 0.00 N ATOM 0 H GLN A 8 -15.112 16.952 -3.473 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.677 14.584 -4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.670 15.189 -1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.139 13.879 -3.003 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.445 15.517 -4.757 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.034 16.844 -3.775 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.359 14.776 -4.473 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.319 15.219 -3.115 1.00 0.00 H new ATOM 119 N ILE A 9 -16.694 14.368 -2.159 1.00 0.00 N ATOM 120 CA ILE A 9 -17.738 13.608 -1.545 1.00 0.00 C ATOM 121 C ILE A 9 -18.769 13.053 -2.468 1.00 0.00 C ATOM 122 O ILE A 9 -19.213 11.912 -2.353 1.00 0.00 O ATOM 123 CB ILE A 9 -18.345 14.397 -0.423 1.00 0.00 C ATOM 124 CG1 ILE A 9 -17.324 14.525 0.721 1.00 0.00 C ATOM 125 CG2 ILE A 9 -19.566 13.635 0.120 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.921 14.887 2.080 1.00 0.00 C ATOM 0 H ILE A 9 -16.647 15.324 -1.806 1.00 0.00 H new ATOM 0 HA ILE A 9 -17.259 12.711 -1.152 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.633 15.382 -0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.787 13.581 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.590 15.283 0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.014 14.201 0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -20.298 13.506 -0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -19.252 12.657 0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.124 14.954 2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -18.432 15.847 2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.633 14.118 2.381 1.00 0.00 H new ATOM 138 N ALA A 10 -19.101 13.801 -3.535 1.00 0.00 N ATOM 139 CA ALA A 10 -20.037 13.315 -4.501 1.00 0.00 C ATOM 140 C ALA A 10 -19.378 12.322 -5.395 1.00 0.00 C ATOM 141 O ALA A 10 -20.046 11.370 -5.796 1.00 0.00 O ATOM 142 CB ALA A 10 -20.626 14.352 -5.472 1.00 0.00 C ATOM 0 H ALA A 10 -18.727 14.730 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.840 12.924 -3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -21.320 13.860 -6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -21.155 15.120 -4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.821 14.812 -6.045 1.00 0.00 H new ATOM 148 N GLU A 11 -18.057 12.375 -5.642 1.00 0.00 N ATOM 149 CA GLU A 11 -17.334 11.354 -6.333 1.00 0.00 C ATOM 150 C GLU A 11 -17.305 10.059 -5.597 1.00 0.00 C ATOM 151 O GLU A 11 -17.397 8.960 -6.141 1.00 0.00 O ATOM 152 CB GLU A 11 -15.882 11.763 -6.634 1.00 0.00 C ATOM 153 CG GLU A 11 -15.845 12.765 -7.790 1.00 0.00 C ATOM 154 CD GLU A 11 -14.491 12.767 -8.485 1.00 0.00 C ATOM 155 OE1 GLU A 11 -13.477 13.016 -7.779 1.00 0.00 O ATOM 156 OE2 GLU A 11 -14.460 12.462 -9.707 1.00 0.00 O ATOM 0 H GLU A 11 -17.471 13.157 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.880 11.221 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.429 12.204 -5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.293 10.882 -6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.625 12.519 -8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -16.063 13.764 -7.413 1.00 0.00 H new ATOM 163 N PHE A 12 -17.143 10.156 -4.265 1.00 0.00 N ATOM 164 CA PHE A 12 -17.216 9.056 -3.355 1.00 0.00 C ATOM 165 C PHE A 12 -18.558 8.409 -3.329 1.00 0.00 C ATOM 166 O PHE A 12 -18.725 7.192 -3.261 1.00 0.00 O ATOM 167 CB PHE A 12 -16.691 9.501 -1.980 1.00 0.00 C ATOM 168 CG PHE A 12 -15.224 9.289 -1.828 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.689 8.039 -2.030 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.407 10.324 -1.439 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.334 7.845 -1.899 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.058 10.104 -1.289 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.492 8.888 -1.593 1.00 0.00 C ATOM 0 H PHE A 12 -16.952 11.044 -3.801 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.565 8.256 -3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.918 10.557 -1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.216 8.950 -1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.331 7.211 -2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.822 11.303 -1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.924 6.856 -2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.430 10.903 -0.925 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.420 8.757 -1.591 1.00 0.00 H new ATOM 183 N LYS A 13 -19.621 9.232 -3.365 1.00 0.00 N ATOM 184 CA LYS A 13 -21.003 8.902 -3.528 1.00 0.00 C ATOM 185 C LYS A 13 -21.311 8.157 -4.781 1.00 0.00 C ATOM 186 O LYS A 13 -21.927 7.097 -4.687 1.00 0.00 O ATOM 187 CB LYS A 13 -21.979 10.060 -3.262 1.00 0.00 C ATOM 188 CG LYS A 13 -23.389 9.492 -3.084 1.00 0.00 C ATOM 189 CD LYS A 13 -24.306 10.343 -2.204 1.00 0.00 C ATOM 190 CE LYS A 13 -24.187 11.766 -2.753 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.025 11.960 -3.958 1.00 0.00 N ATOM 0 H LYS A 13 -19.495 10.240 -3.269 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.185 8.195 -2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.678 10.608 -2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.960 10.767 -4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.849 9.380 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.314 8.494 -2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -25.336 9.988 -2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -24.000 10.298 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.485 12.479 -1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -23.146 11.976 -2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.918 12.936 -4.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.724 11.297 -4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -26.022 11.784 -3.720 1.00 0.00 H new ATOM 205 N GLU A 14 -20.819 8.599 -5.952 1.00 0.00 N ATOM 206 CA GLU A 14 -20.815 8.026 -7.262 1.00 0.00 C ATOM 207 C GLU A 14 -20.003 6.776 -7.230 1.00 0.00 C ATOM 208 O GLU A 14 -20.406 5.859 -7.944 1.00 0.00 O ATOM 209 CB GLU A 14 -20.302 9.060 -8.278 1.00 0.00 C ATOM 210 CG GLU A 14 -21.334 10.144 -8.599 1.00 0.00 C ATOM 211 CD GLU A 14 -22.634 9.589 -9.162 1.00 0.00 C ATOM 212 OE1 GLU A 14 -22.598 8.977 -10.263 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.648 9.663 -8.419 1.00 0.00 O ATOM 0 H GLU A 14 -20.350 9.505 -5.975 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.822 7.756 -7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.400 9.529 -7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.022 8.549 -9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.551 10.709 -7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.905 10.844 -9.316 1.00 0.00 H new ATOM 220 N ALA A 15 -18.875 6.643 -6.509 1.00 0.00 N ATOM 221 CA ALA A 15 -18.239 5.366 -6.417 1.00 0.00 C ATOM 222 C ALA A 15 -19.067 4.370 -5.681 1.00 0.00 C ATOM 223 O ALA A 15 -19.335 3.266 -6.153 1.00 0.00 O ATOM 224 CB ALA A 15 -16.865 5.485 -5.736 1.00 0.00 C ATOM 0 H ALA A 15 -18.413 7.398 -6.002 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.113 5.012 -7.440 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.401 4.500 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.228 6.152 -6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.991 5.887 -4.731 1.00 0.00 H new ATOM 230 N PHE A 16 -19.583 4.740 -4.495 1.00 0.00 N ATOM 231 CA PHE A 16 -20.464 3.961 -3.682 1.00 0.00 C ATOM 232 C PHE A 16 -21.586 3.437 -4.512 1.00 0.00 C ATOM 233 O PHE A 16 -21.980 2.284 -4.352 1.00 0.00 O ATOM 234 CB PHE A 16 -21.162 4.757 -2.566 1.00 0.00 C ATOM 235 CG PHE A 16 -21.735 3.873 -1.512 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.977 3.303 -1.668 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.063 3.662 -0.332 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.521 2.484 -0.707 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.591 2.847 0.642 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.809 2.241 0.444 1.00 0.00 C ATOM 0 H PHE A 16 -19.369 5.645 -4.077 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.825 3.191 -3.249 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.448 5.444 -2.112 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.957 5.364 -2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.539 3.504 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.109 4.142 -0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.494 2.038 -0.854 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.049 2.683 1.562 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.207 1.573 1.194 1.00 0.00 H new ATOM 250 N SER A 17 -22.147 4.234 -5.439 1.00 0.00 N ATOM 251 CA SER A 17 -23.345 3.917 -6.152 1.00 0.00 C ATOM 252 C SER A 17 -23.114 3.214 -7.446 1.00 0.00 C ATOM 253 O SER A 17 -24.006 2.640 -8.069 1.00 0.00 O ATOM 254 CB SER A 17 -24.188 5.113 -6.625 1.00 0.00 C ATOM 255 OG SER A 17 -24.598 5.899 -5.516 1.00 0.00 O ATOM 0 H SER A 17 -21.750 5.136 -5.702 1.00 0.00 H new ATOM 0 HA SER A 17 -23.846 3.322 -5.389 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.608 5.724 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.062 4.757 -7.170 1.00 0.00 H new ATOM 0 HG SER A 17 -23.818 6.344 -5.124 1.00 0.00 H new ATOM 261 N LEU A 18 -21.826 3.166 -7.832 1.00 0.00 N ATOM 262 CA LEU A 18 -21.298 2.147 -8.685 1.00 0.00 C ATOM 263 C LEU A 18 -21.282 0.796 -8.057 1.00 0.00 C ATOM 264 O LEU A 18 -21.825 -0.120 -8.672 1.00 0.00 O ATOM 265 CB LEU A 18 -19.902 2.402 -9.277 1.00 0.00 C ATOM 266 CG LEU A 18 -19.620 2.111 -10.761 1.00 0.00 C ATOM 267 CD1 LEU A 18 -20.414 3.071 -11.663 1.00 0.00 C ATOM 268 CD2 LEU A 18 -18.094 2.108 -10.952 1.00 0.00 C ATOM 0 H LEU A 18 -21.132 3.856 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.012 2.184 -9.508 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.666 3.452 -9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.193 1.815 -8.693 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.975 1.127 -11.069 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -20.200 2.848 -12.708 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -21.481 2.947 -11.476 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -20.124 4.099 -11.444 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.858 1.904 -11.997 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.690 3.081 -10.672 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -17.650 1.337 -10.323 1.00 0.00 H new ATOM 280 N PHE A 19 -20.865 0.664 -6.785 1.00 0.00 N ATOM 281 CA PHE A 19 -20.761 -0.508 -5.972 1.00 0.00 C ATOM 282 C PHE A 19 -22.116 -1.084 -5.743 1.00 0.00 C ATOM 283 O PHE A 19 -22.393 -2.257 -5.986 1.00 0.00 O ATOM 284 CB PHE A 19 -20.065 -0.253 -4.624 1.00 0.00 C ATOM 285 CG PHE A 19 -18.603 -0.526 -4.707 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.205 -1.836 -4.578 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.664 0.463 -4.886 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.862 -2.114 -4.482 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.318 0.208 -4.762 1.00 0.00 C ATOM 290 CZ PHE A 19 -15.940 -1.095 -4.539 1.00 0.00 C ATOM 0 H PHE A 19 -20.563 1.487 -6.264 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.136 -1.215 -6.517 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.227 0.781 -4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.512 -0.885 -3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.934 -2.632 -4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.991 1.463 -5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.530 -3.135 -4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.587 1.000 -4.837 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.893 -1.324 -4.405 1.00 0.00 H new ATOM 300 N ASP A 20 -23.066 -0.269 -5.251 1.00 0.00 N ATOM 301 CA ASP A 20 -24.313 -0.595 -4.632 1.00 0.00 C ATOM 302 C ASP A 20 -25.238 -1.109 -5.680 1.00 0.00 C ATOM 303 O ASP A 20 -25.654 -0.369 -6.571 1.00 0.00 O ATOM 304 CB ASP A 20 -24.934 0.528 -3.783 1.00 0.00 C ATOM 305 CG ASP A 20 -25.918 -0.039 -2.770 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.216 -1.262 -2.722 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.557 0.807 -2.089 1.00 0.00 O ATOM 0 H ASP A 20 -22.940 0.742 -5.295 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.120 -1.371 -3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.147 1.075 -3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.444 1.241 -4.432 1.00 0.00 H new ATOM 312 N LYS A 21 -25.341 -2.444 -5.808 1.00 0.00 N ATOM 313 CA LYS A 21 -25.967 -2.948 -6.991 1.00 0.00 C ATOM 314 C LYS A 21 -27.446 -2.958 -6.808 1.00 0.00 C ATOM 315 O LYS A 21 -28.129 -2.427 -7.682 1.00 0.00 O ATOM 316 CB LYS A 21 -25.438 -4.343 -7.365 1.00 0.00 C ATOM 317 CG LYS A 21 -25.786 -4.841 -8.769 1.00 0.00 C ATOM 318 CD LYS A 21 -25.381 -3.927 -9.928 1.00 0.00 C ATOM 319 CE LYS A 21 -23.894 -3.571 -9.981 1.00 0.00 C ATOM 320 NZ LYS A 21 -23.596 -2.606 -11.064 1.00 0.00 N ATOM 0 H LYS A 21 -25.013 -3.139 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.719 -2.288 -7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.353 -4.337 -7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.823 -5.061 -6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -25.312 -5.812 -8.916 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.863 -5.001 -8.819 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.657 -4.410 -10.865 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.958 -3.005 -9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -23.587 -3.149 -9.024 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -23.309 -4.478 -10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -22.579 -2.390 -11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.865 -3.018 -11.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.135 -1.731 -10.907 1.00 0.00 H new ATOM 334 N ASP A 22 -27.996 -3.501 -5.707 1.00 0.00 N ATOM 335 CA ASP A 22 -29.382 -3.446 -5.358 1.00 0.00 C ATOM 336 C ASP A 22 -29.861 -2.078 -5.014 1.00 0.00 C ATOM 337 O ASP A 22 -30.928 -1.667 -5.467 1.00 0.00 O ATOM 338 CB ASP A 22 -29.909 -4.527 -4.399 1.00 0.00 C ATOM 339 CG ASP A 22 -29.140 -4.726 -3.101 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.257 -3.854 -2.880 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.397 -5.644 -2.277 1.00 0.00 O ATOM 0 H ASP A 22 -27.439 -4.009 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 22 -29.853 -3.720 -6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.942 -4.285 -4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -29.925 -5.477 -4.933 1.00 0.00 H new ATOM 346 N GLY A 23 -28.959 -1.330 -4.353 1.00 0.00 N ATOM 347 CA GLY A 23 -29.165 0.067 -4.125 1.00 0.00 C ATOM 348 C GLY A 23 -29.977 0.313 -2.901 1.00 0.00 C ATOM 349 O GLY A 23 -30.946 1.070 -2.920 1.00 0.00 O ATOM 0 H GLY A 23 -28.084 -1.694 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.201 0.566 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.666 0.506 -4.988 1.00 0.00 H new ATOM 353 N ASP A 24 -29.647 -0.391 -1.803 1.00 0.00 N ATOM 354 CA ASP A 24 -30.257 -0.182 -0.527 1.00 0.00 C ATOM 355 C ASP A 24 -29.683 0.977 0.212 1.00 0.00 C ATOM 356 O ASP A 24 -30.436 1.501 1.032 1.00 0.00 O ATOM 357 CB ASP A 24 -30.244 -1.499 0.268 1.00 0.00 C ATOM 358 CG ASP A 24 -28.872 -1.980 0.716 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.009 -2.158 -0.185 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.575 -2.088 1.936 1.00 0.00 O ATOM 0 H ASP A 24 -28.938 -1.124 -1.803 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.298 0.102 -0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.873 -1.377 1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -30.701 -2.277 -0.344 1.00 0.00 H new ATOM 365 N GLY A 25 -28.385 1.220 -0.039 1.00 0.00 N ATOM 366 CA GLY A 25 -27.598 2.099 0.770 1.00 0.00 C ATOM 367 C GLY A 25 -26.507 1.396 1.503 1.00 0.00 C ATOM 368 O GLY A 25 -25.780 2.091 2.211 1.00 0.00 O ATOM 0 H GLY A 25 -27.873 0.800 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.163 2.873 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.246 2.601 1.488 1.00 0.00 H new ATOM 372 N THR A 26 -26.318 0.067 1.418 1.00 0.00 N ATOM 373 CA THR A 26 -25.216 -0.676 1.946 1.00 0.00 C ATOM 374 C THR A 26 -24.536 -1.511 0.917 1.00 0.00 C ATOM 375 O THR A 26 -25.152 -2.241 0.142 1.00 0.00 O ATOM 376 CB THR A 26 -25.469 -1.423 3.222 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.323 -2.549 3.087 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.986 -0.455 4.301 1.00 0.00 C ATOM 0 H THR A 26 -26.990 -0.534 0.942 1.00 0.00 H new ATOM 0 HA THR A 26 -24.518 0.104 2.249 1.00 0.00 H new ATOM 0 HB THR A 26 -24.509 -1.840 3.527 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.236 -2.246 2.899 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.168 -1.004 5.225 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.242 0.321 4.480 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.915 0.004 3.963 1.00 0.00 H new ATOM 386 N ILE A 27 -23.195 -1.594 0.974 1.00 0.00 N ATOM 387 CA ILE A 27 -22.397 -2.467 0.171 1.00 0.00 C ATOM 388 C ILE A 27 -22.269 -3.724 0.959 1.00 0.00 C ATOM 389 O ILE A 27 -21.876 -3.689 2.125 1.00 0.00 O ATOM 390 CB ILE A 27 -20.996 -2.076 -0.196 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.852 -0.545 -0.207 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.693 -2.735 -1.553 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.359 -0.256 -0.366 1.00 0.00 C ATOM 0 H ILE A 27 -22.640 -1.024 1.612 1.00 0.00 H new ATOM 0 HA ILE A 27 -22.919 -2.498 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.266 -2.424 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.422 -0.107 -1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.236 -0.112 0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.680 -2.479 -1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.781 -3.817 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.403 -2.376 -2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.197 0.822 -0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.813 -0.694 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.002 -0.689 -1.300 1.00 0.00 H new ATOM 405 N THR A 28 -22.507 -4.920 0.390 1.00 0.00 N ATOM 406 CA THR A 28 -22.507 -6.238 0.945 1.00 0.00 C ATOM 407 C THR A 28 -21.286 -6.939 0.457 1.00 0.00 C ATOM 408 O THR A 28 -20.568 -6.386 -0.375 1.00 0.00 O ATOM 409 CB THR A 28 -23.748 -7.047 0.711 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.016 -7.192 -0.676 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.942 -6.419 1.450 1.00 0.00 C ATOM 0 H THR A 28 -22.731 -4.961 -0.604 1.00 0.00 H new ATOM 0 HA THR A 28 -22.497 -6.128 2.029 1.00 0.00 H new ATOM 0 HB THR A 28 -23.585 -8.047 1.113 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.591 -6.457 -0.977 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.836 -7.017 1.271 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.733 -6.389 2.519 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.104 -5.405 1.084 1.00 0.00 H new ATOM 419 N THR A 29 -21.046 -8.198 0.865 1.00 0.00 N ATOM 420 CA THR A 29 -19.956 -9.014 0.430 1.00 0.00 C ATOM 421 C THR A 29 -19.913 -9.335 -1.025 1.00 0.00 C ATOM 422 O THR A 29 -18.880 -9.244 -1.686 1.00 0.00 O ATOM 423 CB THR A 29 -19.680 -10.278 1.188 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.740 -11.197 0.969 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.634 -9.997 2.700 1.00 0.00 C ATOM 0 H THR A 29 -21.648 -8.673 1.537 1.00 0.00 H new ATOM 0 HA THR A 29 -19.161 -8.309 0.671 1.00 0.00 H new ATOM 0 HB THR A 29 -18.726 -10.679 0.846 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.562 -12.025 1.462 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.433 -10.924 3.236 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.844 -9.276 2.912 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.592 -9.591 3.024 1.00 0.00 H new ATOM 433 N LYS A 30 -21.027 -9.643 -1.712 1.00 0.00 N ATOM 434 CA LYS A 30 -20.981 -9.996 -3.097 1.00 0.00 C ATOM 435 C LYS A 30 -20.783 -8.807 -3.972 1.00 0.00 C ATOM 436 O LYS A 30 -20.143 -8.929 -5.015 1.00 0.00 O ATOM 437 CB LYS A 30 -22.222 -10.806 -3.510 1.00 0.00 C ATOM 438 CG LYS A 30 -22.145 -11.266 -4.967 1.00 0.00 C ATOM 439 CD LYS A 30 -23.291 -12.214 -5.325 1.00 0.00 C ATOM 440 CE LYS A 30 -24.706 -11.630 -5.323 1.00 0.00 C ATOM 441 NZ LYS A 30 -25.610 -12.703 -5.794 1.00 0.00 N ATOM 0 H LYS A 30 -21.963 -9.648 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.110 -10.636 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.321 -11.675 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.116 -10.198 -3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.173 -10.397 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -21.192 -11.766 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -23.095 -12.622 -6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -23.269 -13.050 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.987 -11.299 -4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.766 -10.759 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.588 -12.351 -5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -25.332 -12.995 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.546 -13.518 -5.151 1.00 0.00 H new ATOM 455 N GLU A 31 -21.231 -7.614 -3.542 1.00 0.00 N ATOM 456 CA GLU A 31 -21.220 -6.392 -4.285 1.00 0.00 C ATOM 457 C GLU A 31 -19.852 -5.806 -4.218 1.00 0.00 C ATOM 458 O GLU A 31 -19.433 -5.129 -5.155 1.00 0.00 O ATOM 459 CB GLU A 31 -22.199 -5.393 -3.645 1.00 0.00 C ATOM 460 CG GLU A 31 -23.654 -5.834 -3.811 1.00 0.00 C ATOM 461 CD GLU A 31 -24.560 -4.928 -2.990 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.607 -4.961 -1.731 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.299 -4.216 -3.722 1.00 0.00 O ATOM 0 H GLU A 31 -21.628 -7.496 -2.610 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.509 -6.590 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.970 -5.289 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.063 -4.411 -4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.939 -5.794 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.770 -6.869 -3.489 1.00 0.00 H new ATOM 470 N LEU A 32 -19.115 -6.176 -3.155 1.00 0.00 N ATOM 471 CA LEU A 32 -17.751 -5.748 -3.135 1.00 0.00 C ATOM 472 C LEU A 32 -16.937 -6.773 -3.847 1.00 0.00 C ATOM 473 O LEU A 32 -16.088 -6.432 -4.669 1.00 0.00 O ATOM 474 CB LEU A 32 -17.164 -5.772 -1.713 1.00 0.00 C ATOM 475 CG LEU A 32 -17.486 -4.595 -0.776 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.966 -4.921 0.634 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.861 -3.289 -1.295 1.00 0.00 C ATOM 0 H LEU A 32 -19.433 -6.732 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.725 -4.747 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.503 -6.687 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.080 -5.841 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.566 -4.450 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.190 -4.092 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.451 -5.826 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.888 -5.077 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.104 -2.473 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.778 -3.402 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.257 -3.065 -2.286 1.00 0.00 H new ATOM 489 N GLY A 33 -17.106 -8.094 -3.655 1.00 0.00 N ATOM 490 CA GLY A 33 -16.534 -9.231 -4.307 1.00 0.00 C ATOM 491 C GLY A 33 -16.590 -9.211 -5.796 1.00 0.00 C ATOM 492 O GLY A 33 -15.524 -9.260 -6.406 1.00 0.00 O ATOM 0 H GLY A 33 -17.747 -8.405 -2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.491 -9.317 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.045 -10.126 -3.953 1.00 0.00 H new ATOM 496 N THR A 34 -17.789 -9.009 -6.372 1.00 0.00 N ATOM 497 CA THR A 34 -18.022 -9.016 -7.783 1.00 0.00 C ATOM 498 C THR A 34 -17.251 -7.935 -8.460 1.00 0.00 C ATOM 499 O THR A 34 -16.803 -8.039 -9.600 1.00 0.00 O ATOM 500 CB THR A 34 -19.471 -8.855 -8.133 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.147 -10.032 -7.715 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.649 -8.834 -9.661 1.00 0.00 C ATOM 0 H THR A 34 -18.634 -8.833 -5.829 1.00 0.00 H new ATOM 0 HA THR A 34 -17.688 -9.993 -8.132 1.00 0.00 H new ATOM 0 HB THR A 34 -19.843 -7.940 -7.671 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.304 -9.993 -6.748 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.705 -8.717 -9.903 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.086 -8.001 -10.081 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.282 -9.770 -10.083 1.00 0.00 H new ATOM 510 N VAL A 35 -16.936 -6.858 -7.718 1.00 0.00 N ATOM 511 CA VAL A 35 -16.143 -5.773 -8.205 1.00 0.00 C ATOM 512 C VAL A 35 -14.696 -6.082 -8.381 1.00 0.00 C ATOM 513 O VAL A 35 -14.138 -5.794 -9.438 1.00 0.00 O ATOM 514 CB VAL A 35 -16.328 -4.482 -7.463 1.00 0.00 C ATOM 515 CG1 VAL A 35 -15.264 -3.408 -7.742 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.719 -3.955 -7.854 1.00 0.00 C ATOM 0 H VAL A 35 -17.242 -6.739 -6.752 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.552 -5.625 -9.205 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.226 -4.689 -6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.487 -2.515 -7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.281 -3.788 -7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.268 -3.159 -8.803 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.908 -3.012 -7.341 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.758 -3.796 -8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.478 -4.683 -7.567 1.00 0.00 H new ATOM 526 N MET A 36 -14.045 -6.778 -7.431 1.00 0.00 N ATOM 527 CA MET A 36 -12.660 -7.130 -7.369 1.00 0.00 C ATOM 528 C MET A 36 -12.412 -8.147 -8.430 1.00 0.00 C ATOM 529 O MET A 36 -11.403 -8.150 -9.134 1.00 0.00 O ATOM 530 CB MET A 36 -12.292 -7.687 -5.984 1.00 0.00 C ATOM 531 CG MET A 36 -12.319 -6.585 -4.923 1.00 0.00 C ATOM 532 SD MET A 36 -11.551 -7.028 -3.336 1.00 0.00 S ATOM 533 CE MET A 36 -12.649 -6.101 -2.226 1.00 0.00 C ATOM 0 H MET A 36 -14.549 -7.132 -6.618 1.00 0.00 H new ATOM 0 HA MET A 36 -12.039 -6.249 -7.530 1.00 0.00 H new ATOM 0 HB2 MET A 36 -12.990 -8.478 -5.709 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.300 -8.136 -6.021 1.00 0.00 H new ATOM 0 HG2 MET A 36 -11.813 -5.705 -5.321 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.356 -6.302 -4.741 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.168 -5.981 -1.255 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.854 -5.119 -2.653 1.00 0.00 H new ATOM 0 HE3 MET A 36 -13.585 -6.645 -2.102 1.00 0.00 H new ATOM 543 N ARG A 37 -13.363 -9.090 -8.546 1.00 0.00 N ATOM 544 CA ARG A 37 -13.280 -10.164 -9.487 1.00 0.00 C ATOM 545 C ARG A 37 -13.444 -9.691 -10.890 1.00 0.00 C ATOM 546 O ARG A 37 -12.968 -10.334 -11.825 1.00 0.00 O ATOM 547 CB ARG A 37 -14.375 -11.215 -9.238 1.00 0.00 C ATOM 548 CG ARG A 37 -14.049 -12.211 -8.124 1.00 0.00 C ATOM 549 CD ARG A 37 -15.298 -12.562 -7.312 1.00 0.00 C ATOM 550 NE ARG A 37 -14.871 -13.177 -6.025 1.00 0.00 N ATOM 551 CZ ARG A 37 -15.669 -13.498 -4.965 1.00 0.00 C ATOM 552 NH1 ARG A 37 -17.008 -13.236 -4.928 1.00 0.00 N ATOM 553 NH2 ARG A 37 -15.085 -13.999 -3.836 1.00 0.00 N ATOM 0 H ARG A 37 -14.208 -9.107 -7.974 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.289 -10.597 -9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.305 -10.703 -8.991 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.551 -11.766 -10.162 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.626 -13.118 -8.556 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.291 -11.788 -7.465 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.891 -11.667 -7.125 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.930 -13.253 -7.870 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.876 -13.380 -5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.460 -12.778 -5.719 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.557 -13.498 -4.109 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.074 -14.126 -3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.660 -14.246 -3.031 1.00 0.00 H new ATOM 567 N SER A 38 -14.238 -8.624 -11.094 1.00 0.00 N ATOM 568 CA SER A 38 -14.347 -8.022 -12.386 1.00 0.00 C ATOM 569 C SER A 38 -13.107 -7.305 -12.797 1.00 0.00 C ATOM 570 O SER A 38 -12.834 -7.184 -13.990 1.00 0.00 O ATOM 571 CB SER A 38 -15.533 -7.067 -12.604 1.00 0.00 C ATOM 572 OG SER A 38 -16.778 -7.673 -12.291 1.00 0.00 O ATOM 0 H SER A 38 -14.801 -8.181 -10.368 1.00 0.00 H new ATOM 0 HA SER A 38 -14.524 -8.897 -13.011 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.399 -6.178 -11.987 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.544 -6.736 -13.642 1.00 0.00 H new ATOM 0 HG SER A 38 -16.801 -7.900 -11.338 1.00 0.00 H new ATOM 578 N LEU A 39 -12.336 -6.733 -11.855 1.00 0.00 N ATOM 579 CA LEU A 39 -11.043 -6.153 -12.050 1.00 0.00 C ATOM 580 C LEU A 39 -9.975 -7.169 -12.264 1.00 0.00 C ATOM 581 O LEU A 39 -8.873 -6.835 -12.698 1.00 0.00 O ATOM 582 CB LEU A 39 -10.594 -5.283 -10.863 1.00 0.00 C ATOM 583 CG LEU A 39 -11.500 -4.093 -10.506 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.046 -3.439 -9.190 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.458 -3.002 -11.589 1.00 0.00 C ATOM 0 H LEU A 39 -12.641 -6.672 -10.884 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.166 -5.542 -12.944 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.508 -5.922 -9.984 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.596 -4.900 -11.078 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.510 -4.493 -10.416 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.701 -2.599 -8.956 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.094 -4.172 -8.384 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.022 -3.082 -9.296 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.111 -2.178 -11.301 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.437 -2.636 -11.697 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.796 -3.418 -12.538 1.00 0.00 H new ATOM 597 N GLY A 40 -10.191 -8.471 -12.006 1.00 0.00 N ATOM 598 CA GLY A 40 -9.327 -9.536 -12.409 1.00 0.00 C ATOM 599 C GLY A 40 -8.820 -10.317 -11.245 1.00 0.00 C ATOM 600 O GLY A 40 -7.880 -11.098 -11.381 1.00 0.00 O ATOM 0 H GLY A 40 -11.009 -8.797 -11.491 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.863 -10.201 -13.086 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.484 -9.127 -12.966 1.00 0.00 H new ATOM 604 N GLN A 41 -9.322 -10.064 -10.023 1.00 0.00 N ATOM 605 CA GLN A 41 -8.946 -10.743 -8.822 1.00 0.00 C ATOM 606 C GLN A 41 -9.878 -11.839 -8.432 1.00 0.00 C ATOM 607 O GLN A 41 -10.695 -12.293 -9.231 1.00 0.00 O ATOM 608 CB GLN A 41 -8.772 -9.632 -7.773 1.00 0.00 C ATOM 609 CG GLN A 41 -8.045 -8.372 -8.247 1.00 0.00 C ATOM 610 CD GLN A 41 -6.576 -8.638 -8.542 1.00 0.00 C ATOM 611 OE1 GLN A 41 -6.096 -8.039 -9.503 1.00 0.00 O ATOM 612 NE2 GLN A 41 -5.794 -9.488 -7.825 1.00 0.00 N ATOM 0 H GLN A 41 -10.029 -9.346 -9.865 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.016 -11.297 -8.947 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.759 -9.344 -7.410 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.228 -10.044 -6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.531 -7.989 -9.144 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.127 -7.598 -7.484 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.184 -9.989 -7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.817 -9.625 -8.085 1.00 0.00 H new ATOM 621 N ASN A 42 -9.729 -12.411 -7.224 1.00 0.00 N ATOM 622 CA ASN A 42 -10.576 -13.373 -6.590 1.00 0.00 C ATOM 623 C ASN A 42 -10.187 -13.401 -5.152 1.00 0.00 C ATOM 624 O ASN A 42 -9.415 -14.310 -4.849 1.00 0.00 O ATOM 625 CB ASN A 42 -10.455 -14.768 -7.225 1.00 0.00 C ATOM 626 CG ASN A 42 -11.670 -15.570 -6.782 1.00 0.00 C ATOM 627 OD1 ASN A 42 -12.698 -15.001 -6.417 1.00 0.00 O ATOM 628 ND2 ASN A 42 -11.549 -16.899 -7.041 1.00 0.00 N ATOM 0 H ASN A 42 -8.932 -12.173 -6.633 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.621 -13.089 -6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.418 -14.694 -8.312 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.534 -15.257 -6.907 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.356 -17.514 -6.936 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.652 -17.281 -7.340 1.00 0.00 H new ATOM 635 N PRO A 43 -10.636 -12.589 -4.241 1.00 0.00 N ATOM 636 CA PRO A 43 -10.691 -12.919 -2.847 1.00 0.00 C ATOM 637 C PRO A 43 -11.641 -14.031 -2.560 1.00 0.00 C ATOM 638 O PRO A 43 -12.334 -14.521 -3.451 1.00 0.00 O ATOM 639 CB PRO A 43 -11.355 -11.658 -2.300 1.00 0.00 C ATOM 640 CG PRO A 43 -12.021 -10.846 -3.422 1.00 0.00 C ATOM 641 CD PRO A 43 -11.127 -11.267 -4.599 1.00 0.00 C ATOM 0 HA PRO A 43 -9.718 -13.211 -2.451 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.101 -11.932 -1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.611 -11.042 -1.795 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.066 -11.116 -3.572 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.993 -9.772 -3.237 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.689 -11.294 -5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.305 -10.565 -4.742 1.00 0.00 H new ATOM 649 N THR A 44 -11.755 -14.362 -1.262 1.00 0.00 N ATOM 650 CA THR A 44 -12.577 -15.424 -0.770 1.00 0.00 C ATOM 651 C THR A 44 -13.674 -14.729 -0.038 1.00 0.00 C ATOM 652 O THR A 44 -13.571 -13.528 0.203 1.00 0.00 O ATOM 653 CB THR A 44 -11.862 -16.393 0.125 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.218 -15.678 1.169 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.640 -17.050 -0.538 1.00 0.00 C ATOM 0 H THR A 44 -11.253 -13.869 -0.524 1.00 0.00 H new ATOM 0 HA THR A 44 -12.926 -16.047 -1.593 1.00 0.00 H new ATOM 0 HB THR A 44 -12.629 -17.111 0.416 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.264 -15.588 0.964 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.171 -17.738 0.165 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.958 -17.598 -1.425 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.924 -16.280 -0.825 1.00 0.00 H new ATOM 663 N GLU A 45 -14.730 -15.452 0.376 1.00 0.00 N ATOM 664 CA GLU A 45 -15.693 -14.812 1.217 1.00 0.00 C ATOM 665 C GLU A 45 -15.332 -14.624 2.651 1.00 0.00 C ATOM 666 O GLU A 45 -15.887 -13.703 3.247 1.00 0.00 O ATOM 667 CB GLU A 45 -17.026 -15.579 1.190 1.00 0.00 C ATOM 668 CG GLU A 45 -17.993 -15.129 0.093 1.00 0.00 C ATOM 669 CD GLU A 45 -17.457 -15.575 -1.260 1.00 0.00 C ATOM 670 OE1 GLU A 45 -17.440 -16.812 -1.497 1.00 0.00 O ATOM 671 OE2 GLU A 45 -17.182 -14.702 -2.125 1.00 0.00 O ATOM 0 H GLU A 45 -14.913 -16.428 0.144 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.753 -13.814 0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.817 -16.641 1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.516 -15.466 2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.981 -15.556 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.106 -14.045 0.113 1.00 0.00 H new ATOM 678 N ALA A 46 -14.343 -15.376 3.165 1.00 0.00 N ATOM 679 CA ALA A 46 -13.728 -15.106 4.428 1.00 0.00 C ATOM 680 C ALA A 46 -13.009 -13.805 4.528 1.00 0.00 C ATOM 681 O ALA A 46 -13.350 -12.979 5.373 1.00 0.00 O ATOM 682 CB ALA A 46 -12.806 -16.245 4.893 1.00 0.00 C ATOM 0 H ALA A 46 -13.960 -16.194 2.690 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.583 -15.032 5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.366 -15.987 5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.384 -17.164 4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.013 -16.393 4.160 1.00 0.00 H new ATOM 688 N GLU A 47 -12.110 -13.522 3.568 1.00 0.00 N ATOM 689 CA GLU A 47 -11.618 -12.195 3.366 1.00 0.00 C ATOM 690 C GLU A 47 -12.536 -11.032 3.205 1.00 0.00 C ATOM 691 O GLU A 47 -12.316 -9.982 3.806 1.00 0.00 O ATOM 692 CB GLU A 47 -10.624 -12.241 2.194 1.00 0.00 C ATOM 693 CG GLU A 47 -9.454 -13.225 2.266 1.00 0.00 C ATOM 694 CD GLU A 47 -8.887 -13.467 0.875 1.00 0.00 C ATOM 695 OE1 GLU A 47 -8.290 -12.533 0.277 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.914 -14.606 0.337 1.00 0.00 O ATOM 0 H GLU A 47 -11.723 -14.216 2.929 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.198 -11.957 4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.189 -12.464 1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.209 -11.241 2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.677 -12.830 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.788 -14.168 2.700 1.00 0.00 H new ATOM 703 N LEU A 48 -13.579 -11.200 2.373 1.00 0.00 N ATOM 704 CA LEU A 48 -14.652 -10.282 2.143 1.00 0.00 C ATOM 705 C LEU A 48 -15.476 -9.917 3.330 1.00 0.00 C ATOM 706 O LEU A 48 -15.634 -8.720 3.564 1.00 0.00 O ATOM 707 CB LEU A 48 -15.585 -10.749 1.013 1.00 0.00 C ATOM 708 CG LEU A 48 -14.936 -10.631 -0.376 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.688 -11.447 -1.441 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.769 -9.204 -0.926 1.00 0.00 C ATOM 0 H LEU A 48 -13.679 -12.048 1.816 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.121 -9.375 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.872 -11.786 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.500 -10.157 1.034 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.938 -11.029 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.192 -11.332 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.691 -12.500 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.715 -11.089 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.301 -9.246 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.747 -8.729 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.141 -8.625 -0.250 1.00 0.00 H new ATOM 722 N GLN A 49 -15.825 -10.897 4.182 1.00 0.00 N ATOM 723 CA GLN A 49 -16.407 -10.664 5.467 1.00 0.00 C ATOM 724 C GLN A 49 -15.460 -10.069 6.452 1.00 0.00 C ATOM 725 O GLN A 49 -15.934 -9.250 7.238 1.00 0.00 O ATOM 726 CB GLN A 49 -16.833 -12.051 5.978 1.00 0.00 C ATOM 727 CG GLN A 49 -18.113 -12.583 5.330 1.00 0.00 C ATOM 728 CD GLN A 49 -18.565 -13.894 5.956 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.754 -14.201 6.028 1.00 0.00 O ATOM 730 NE2 GLN A 49 -17.580 -14.669 6.484 1.00 0.00 N ATOM 0 H GLN A 49 -15.698 -11.886 3.969 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.226 -9.952 5.366 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.024 -12.759 5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.977 -12.002 7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.905 -11.841 5.430 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.946 -12.729 4.263 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.605 -14.380 6.404 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.816 -15.539 6.960 1.00 0.00 H new ATOM 739 N ASP A 50 -14.167 -10.434 6.386 1.00 0.00 N ATOM 740 CA ASP A 50 -13.157 -10.053 7.324 1.00 0.00 C ATOM 741 C ASP A 50 -12.796 -8.619 7.138 1.00 0.00 C ATOM 742 O ASP A 50 -12.731 -7.913 8.143 1.00 0.00 O ATOM 743 CB ASP A 50 -11.899 -10.908 7.097 1.00 0.00 C ATOM 744 CG ASP A 50 -10.783 -10.819 8.128 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.029 -11.230 9.293 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.644 -10.452 7.734 1.00 0.00 O ATOM 0 H ASP A 50 -13.808 -11.027 5.638 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.542 -10.205 8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.210 -11.950 7.030 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.481 -10.637 6.127 1.00 0.00 H new ATOM 751 N MET A 51 -12.703 -8.040 5.927 1.00 0.00 N ATOM 752 CA MET A 51 -12.673 -6.625 5.723 1.00 0.00 C ATOM 753 C MET A 51 -13.876 -5.883 6.195 1.00 0.00 C ATOM 754 O MET A 51 -13.708 -4.703 6.495 1.00 0.00 O ATOM 755 CB MET A 51 -12.230 -6.180 4.319 1.00 0.00 C ATOM 756 CG MET A 51 -13.398 -6.310 3.339 1.00 0.00 C ATOM 757 SD MET A 51 -13.052 -6.004 1.580 1.00 0.00 S ATOM 758 CE MET A 51 -11.763 -7.282 1.516 1.00 0.00 C ATOM 0 H MET A 51 -12.647 -8.575 5.061 1.00 0.00 H new ATOM 0 HA MET A 51 -11.870 -6.325 6.397 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.882 -5.148 4.348 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.392 -6.790 3.982 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.805 -7.317 3.432 1.00 0.00 H new ATOM 0 HG3 MET A 51 -14.180 -5.619 3.654 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.708 -7.694 0.508 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.801 -6.843 1.781 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.005 -8.078 2.220 1.00 0.00 H new ATOM 768 N ILE A 52 -15.091 -6.459 6.235 1.00 0.00 N ATOM 769 CA ILE A 52 -16.265 -5.866 6.796 1.00 0.00 C ATOM 770 C ILE A 52 -15.958 -5.757 8.250 1.00 0.00 C ATOM 771 O ILE A 52 -16.053 -4.699 8.870 1.00 0.00 O ATOM 772 CB ILE A 52 -17.588 -6.494 6.468 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.812 -6.611 4.951 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.667 -5.718 7.241 1.00 0.00 C ATOM 775 CD1 ILE A 52 -19.268 -6.913 4.599 1.00 0.00 C ATOM 0 H ILE A 52 -15.263 -7.390 5.855 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.450 -4.898 6.331 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.630 -7.533 6.793 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.510 -5.681 4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -17.173 -7.399 4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.646 -6.146 7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.467 -5.784 8.310 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.654 -4.672 6.934 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.373 -6.986 3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.565 -7.857 5.057 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.906 -6.112 4.972 1.00 0.00 H new ATOM 787 N ASN A 53 -15.719 -6.923 8.877 1.00 0.00 N ATOM 788 CA ASN A 53 -15.531 -7.072 10.287 1.00 0.00 C ATOM 789 C ASN A 53 -14.605 -6.152 11.006 1.00 0.00 C ATOM 790 O ASN A 53 -14.665 -5.813 12.186 1.00 0.00 O ATOM 791 CB ASN A 53 -15.037 -8.500 10.573 1.00 0.00 C ATOM 792 CG ASN A 53 -16.155 -9.506 10.340 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.315 -9.252 10.020 1.00 0.00 O ATOM 794 ND2 ASN A 53 -15.799 -10.816 10.424 1.00 0.00 N ATOM 0 H ASN A 53 -15.654 -7.808 8.374 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.519 -6.820 10.673 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.189 -8.734 9.929 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.685 -8.570 11.602 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.484 -11.545 10.225 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.847 -11.070 10.686 1.00 0.00 H new ATOM 801 N GLU A 54 -13.770 -5.475 10.198 1.00 0.00 N ATOM 802 CA GLU A 54 -12.893 -4.453 10.680 1.00 0.00 C ATOM 803 C GLU A 54 -13.584 -3.142 10.832 1.00 0.00 C ATOM 804 O GLU A 54 -13.505 -2.523 11.891 1.00 0.00 O ATOM 805 CB GLU A 54 -11.585 -4.266 9.893 1.00 0.00 C ATOM 806 CG GLU A 54 -10.749 -5.531 9.690 1.00 0.00 C ATOM 807 CD GLU A 54 -9.304 -5.175 9.372 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.726 -4.266 10.026 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.804 -5.827 8.416 1.00 0.00 O ATOM 0 H GLU A 54 -13.702 -5.640 9.194 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.596 -4.829 11.659 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.827 -3.851 8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.973 -3.527 10.410 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.788 -6.147 10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.170 -6.125 8.878 1.00 0.00 H new ATOM 816 N VAL A 55 -14.293 -2.602 9.825 1.00 0.00 N ATOM 817 CA VAL A 55 -14.973 -1.345 9.765 1.00 0.00 C ATOM 818 C VAL A 55 -16.340 -1.289 10.355 1.00 0.00 C ATOM 819 O VAL A 55 -16.831 -0.232 10.748 1.00 0.00 O ATOM 820 CB VAL A 55 -15.007 -0.849 8.350 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.535 -0.511 8.060 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.706 -1.769 7.335 1.00 0.00 C ATOM 0 H VAL A 55 -14.400 -3.112 8.948 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.381 -0.695 10.409 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.652 0.022 8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.442 -0.135 7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.192 0.250 8.760 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.927 -1.408 8.173 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.672 -1.312 6.346 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.198 -2.733 7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.745 -1.915 7.631 1.00 0.00 H new ATOM 832 N ASP A 56 -16.944 -2.466 10.600 1.00 0.00 N ATOM 833 CA ASP A 56 -18.294 -2.656 11.030 1.00 0.00 C ATOM 834 C ASP A 56 -18.315 -2.680 12.519 1.00 0.00 C ATOM 835 O ASP A 56 -18.295 -3.716 13.182 1.00 0.00 O ATOM 836 CB ASP A 56 -19.110 -3.808 10.418 1.00 0.00 C ATOM 837 CG ASP A 56 -20.580 -3.622 10.762 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.177 -2.866 9.950 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.109 -4.046 11.824 1.00 0.00 O ATOM 0 H ASP A 56 -16.449 -3.351 10.488 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.835 -1.802 10.623 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.978 -3.828 9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.754 -4.764 10.800 1.00 0.00 H new ATOM 844 N ALA A 57 -18.332 -1.475 13.117 1.00 0.00 N ATOM 845 CA ALA A 57 -18.259 -1.237 14.526 1.00 0.00 C ATOM 846 C ALA A 57 -19.595 -0.901 15.091 1.00 0.00 C ATOM 847 O ALA A 57 -19.910 -1.087 16.266 1.00 0.00 O ATOM 848 CB ALA A 57 -17.103 -0.352 15.023 1.00 0.00 C ATOM 0 H ALA A 57 -18.401 -0.610 12.580 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.962 -2.195 14.952 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.162 -0.251 16.107 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.152 -0.810 14.753 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.175 0.633 14.562 1.00 0.00 H new ATOM 854 N ASP A 58 -20.499 -0.421 14.219 1.00 0.00 N ATOM 855 CA ASP A 58 -21.833 0.074 14.364 1.00 0.00 C ATOM 856 C ASP A 58 -22.712 -1.108 14.586 1.00 0.00 C ATOM 857 O ASP A 58 -23.419 -1.151 15.592 1.00 0.00 O ATOM 858 CB ASP A 58 -22.209 0.979 13.179 1.00 0.00 C ATOM 859 CG ASP A 58 -22.068 0.325 11.812 1.00 0.00 C ATOM 860 OD1 ASP A 58 -21.250 -0.598 11.554 1.00 0.00 O ATOM 861 OD2 ASP A 58 -22.903 0.584 10.904 1.00 0.00 O ATOM 0 H ASP A 58 -20.236 -0.376 13.234 1.00 0.00 H new ATOM 0 HA ASP A 58 -21.950 0.731 15.226 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.240 1.310 13.304 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -21.583 1.871 13.207 1.00 0.00 H new ATOM 866 N GLY A 59 -22.699 -2.123 13.703 1.00 0.00 N ATOM 867 CA GLY A 59 -23.206 -3.424 14.014 1.00 0.00 C ATOM 868 C GLY A 59 -24.214 -3.973 13.064 1.00 0.00 C ATOM 869 O GLY A 59 -24.866 -4.948 13.433 1.00 0.00 O ATOM 0 H GLY A 59 -22.330 -2.039 12.756 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.367 -4.118 14.064 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.652 -3.391 15.008 1.00 0.00 H new ATOM 873 N ASN A 60 -24.326 -3.422 11.842 1.00 0.00 N ATOM 874 CA ASN A 60 -25.161 -3.990 10.830 1.00 0.00 C ATOM 875 C ASN A 60 -24.531 -5.131 10.109 1.00 0.00 C ATOM 876 O ASN A 60 -25.248 -6.006 9.626 1.00 0.00 O ATOM 877 CB ASN A 60 -25.903 -2.958 9.963 1.00 0.00 C ATOM 878 CG ASN A 60 -24.989 -2.144 9.058 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.768 -2.073 9.190 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.577 -1.517 8.004 1.00 0.00 N ATOM 0 H ASN A 60 -23.834 -2.576 11.554 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.985 -4.464 11.363 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.639 -3.476 9.349 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.453 -2.278 10.614 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.007 -0.997 7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.588 -1.566 7.881 1.00 0.00 H new ATOM 887 N GLY A 61 -23.189 -5.207 10.060 1.00 0.00 N ATOM 888 CA GLY A 61 -22.409 -6.121 9.284 1.00 0.00 C ATOM 889 C GLY A 61 -22.342 -5.761 7.840 1.00 0.00 C ATOM 890 O GLY A 61 -21.846 -6.575 7.063 1.00 0.00 O ATOM 0 H GLY A 61 -22.603 -4.577 10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.398 -6.159 9.689 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.830 -7.122 9.383 1.00 0.00 H new ATOM 894 N THR A 62 -22.831 -4.593 7.385 1.00 0.00 N ATOM 895 CA THR A 62 -22.651 -4.162 6.034 1.00 0.00 C ATOM 896 C THR A 62 -22.130 -2.771 5.917 1.00 0.00 C ATOM 897 O THR A 62 -22.078 -1.960 6.840 1.00 0.00 O ATOM 898 CB THR A 62 -23.916 -4.284 5.237 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.007 -3.556 5.781 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.332 -5.764 5.201 1.00 0.00 C ATOM 0 H THR A 62 -23.359 -3.939 7.963 1.00 0.00 H new ATOM 0 HA THR A 62 -21.896 -4.833 5.625 1.00 0.00 H new ATOM 0 HB THR A 62 -23.699 -3.876 4.250 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.752 -3.558 5.144 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.251 -5.870 4.625 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.542 -6.353 4.735 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.498 -6.120 6.218 1.00 0.00 H new ATOM 908 N ILE A 63 -21.564 -2.475 4.733 1.00 0.00 N ATOM 909 CA ILE A 63 -20.822 -1.255 4.680 1.00 0.00 C ATOM 910 C ILE A 63 -21.586 -0.105 4.119 1.00 0.00 C ATOM 911 O ILE A 63 -22.056 -0.145 2.984 1.00 0.00 O ATOM 912 CB ILE A 63 -19.511 -1.455 3.978 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.785 -2.647 4.624 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.737 -0.126 4.029 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.373 -2.862 4.080 1.00 0.00 C ATOM 0 H ILE A 63 -21.610 -3.028 3.877 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.619 -0.979 5.715 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.627 -1.709 2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.732 -2.491 5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.371 -3.552 4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.778 -0.244 3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.316 0.652 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.568 0.157 5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.918 -3.718 4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.421 -3.049 3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.772 -1.972 4.266 1.00 0.00 H new ATOM 927 N ASP A 64 -21.763 0.924 4.966 1.00 0.00 N ATOM 928 CA ASP A 64 -22.550 2.098 4.745 1.00 0.00 C ATOM 929 C ASP A 64 -21.719 3.257 4.315 1.00 0.00 C ATOM 930 O ASP A 64 -20.509 3.165 4.518 1.00 0.00 O ATOM 931 CB ASP A 64 -23.552 2.351 5.884 1.00 0.00 C ATOM 932 CG ASP A 64 -22.787 2.270 7.197 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.405 1.173 7.686 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.652 3.365 7.806 1.00 0.00 O ATOM 0 H ASP A 64 -21.317 0.934 5.883 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.197 1.925 3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.019 3.330 5.773 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.352 1.611 5.861 1.00 0.00 H new ATOM 939 N PHE A 65 -22.205 4.366 3.729 1.00 0.00 N ATOM 940 CA PHE A 65 -21.385 5.438 3.258 1.00 0.00 C ATOM 941 C PHE A 65 -20.279 5.946 4.118 1.00 0.00 C ATOM 942 O PHE A 65 -19.129 5.871 3.688 1.00 0.00 O ATOM 943 CB PHE A 65 -22.258 6.616 2.794 1.00 0.00 C ATOM 944 CG PHE A 65 -21.461 7.724 2.195 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.002 7.536 0.913 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.170 8.896 2.853 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.204 8.459 0.279 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.368 9.822 2.228 1.00 0.00 C ATOM 949 CZ PHE A 65 -19.852 9.590 0.975 1.00 0.00 C ATOM 0 H PHE A 65 -23.202 4.521 3.578 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.846 4.956 2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.983 6.259 2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.824 6.999 3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.277 6.634 0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.563 9.085 3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.865 8.300 -0.734 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.139 10.750 2.731 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.167 10.300 0.536 1.00 0.00 H new ATOM 959 N PRO A 66 -20.457 6.441 5.307 1.00 0.00 N ATOM 960 CA PRO A 66 -19.384 7.025 6.058 1.00 0.00 C ATOM 961 C PRO A 66 -18.361 6.016 6.452 1.00 0.00 C ATOM 962 O PRO A 66 -17.214 6.370 6.721 1.00 0.00 O ATOM 963 CB PRO A 66 -20.107 7.716 7.212 1.00 0.00 C ATOM 964 CG PRO A 66 -21.294 6.810 7.575 1.00 0.00 C ATOM 965 CD PRO A 66 -21.659 6.448 6.126 1.00 0.00 C ATOM 0 HA PRO A 66 -18.780 7.738 5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.442 7.848 8.066 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.450 8.708 6.919 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.014 5.948 8.181 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.091 7.329 8.108 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.138 5.469 6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.376 7.167 5.731 1.00 0.00 H new ATOM 973 N GLU A 67 -18.742 4.736 6.609 1.00 0.00 N ATOM 974 CA GLU A 67 -17.862 3.613 6.712 1.00 0.00 C ATOM 975 C GLU A 67 -17.072 3.296 5.490 1.00 0.00 C ATOM 976 O GLU A 67 -15.872 3.064 5.635 1.00 0.00 O ATOM 977 CB GLU A 67 -18.694 2.392 7.138 1.00 0.00 C ATOM 978 CG GLU A 67 -18.083 1.385 8.115 1.00 0.00 C ATOM 979 CD GLU A 67 -19.216 0.493 8.603 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.934 0.907 9.552 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.442 -0.644 8.110 1.00 0.00 O ATOM 0 H GLU A 67 -19.725 4.469 6.668 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.109 3.880 7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.619 2.762 7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.969 1.849 6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.310 0.793 7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.609 1.898 8.952 1.00 0.00 H new ATOM 988 N PHE A 68 -17.671 3.378 4.288 1.00 0.00 N ATOM 989 CA PHE A 68 -16.938 3.176 3.077 1.00 0.00 C ATOM 990 C PHE A 68 -15.906 4.242 2.935 1.00 0.00 C ATOM 991 O PHE A 68 -14.776 3.804 2.729 1.00 0.00 O ATOM 992 CB PHE A 68 -17.861 3.285 1.852 1.00 0.00 C ATOM 993 CG PHE A 68 -17.282 3.455 0.490 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.800 2.393 -0.239 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.183 4.716 -0.049 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.253 2.510 -1.495 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.744 4.874 -1.342 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.323 3.769 -2.044 1.00 0.00 C ATOM 0 H PHE A 68 -18.661 3.584 4.155 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.488 2.184 3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.478 2.386 1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.531 4.127 2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.854 1.408 0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.449 5.580 0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.802 1.676 -2.012 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.730 5.852 -1.800 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.033 3.896 -3.077 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.250 5.525 3.146 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.322 6.606 3.024 1.00 0.00 C ATOM 1010 C LEU A 69 -14.068 6.391 3.799 1.00 0.00 C ATOM 1011 O LEU A 69 -12.956 6.624 3.326 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.157 7.840 3.404 1.00 0.00 C ATOM 1013 CG LEU A 69 -15.480 9.155 2.984 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -16.523 10.184 2.515 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -14.740 9.793 4.172 1.00 0.00 C ATOM 0 H LEU A 69 -17.192 5.817 3.407 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.910 6.721 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.137 7.772 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.322 7.847 4.481 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.788 8.907 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.019 11.106 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.071 9.784 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.219 10.393 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.269 10.722 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.450 10.004 4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.976 9.106 4.536 1.00 0.00 H new ATOM 1027 N THR A 70 -14.200 5.907 5.047 1.00 0.00 N ATOM 1028 CA THR A 70 -13.189 5.831 6.056 1.00 0.00 C ATOM 1029 C THR A 70 -12.308 4.659 5.793 1.00 0.00 C ATOM 1030 O THR A 70 -11.086 4.588 5.920 1.00 0.00 O ATOM 1031 CB THR A 70 -13.703 5.824 7.466 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.418 7.006 7.793 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.587 5.861 8.524 1.00 0.00 C ATOM 0 H THR A 70 -15.092 5.537 5.377 1.00 0.00 H new ATOM 0 HA THR A 70 -12.616 6.755 5.984 1.00 0.00 H new ATOM 0 HB THR A 70 -14.300 4.912 7.489 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.350 6.914 7.506 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.030 5.854 9.520 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.945 4.988 8.406 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.995 6.767 8.397 1.00 0.00 H new ATOM 1041 N MET A 71 -12.960 3.606 5.269 1.00 0.00 N ATOM 1042 CA MET A 71 -12.294 2.448 4.758 1.00 0.00 C ATOM 1043 C MET A 71 -11.481 2.752 3.547 1.00 0.00 C ATOM 1044 O MET A 71 -10.294 2.441 3.466 1.00 0.00 O ATOM 1045 CB MET A 71 -13.228 1.259 4.472 1.00 0.00 C ATOM 1046 CG MET A 71 -12.622 -0.086 4.066 1.00 0.00 C ATOM 1047 SD MET A 71 -11.194 -0.447 5.131 1.00 0.00 S ATOM 1048 CE MET A 71 -11.609 -2.198 5.373 1.00 0.00 C ATOM 0 H MET A 71 -13.976 3.558 5.199 1.00 0.00 H new ATOM 0 HA MET A 71 -11.629 2.144 5.567 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.829 1.092 5.366 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.913 1.563 3.680 1.00 0.00 H new ATOM 0 HG2 MET A 71 -13.367 -0.876 4.157 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.313 -0.058 3.021 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.860 -2.664 6.014 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.589 -2.278 5.843 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.627 -2.704 4.408 1.00 0.00 H new ATOM 1058 N MET A 72 -12.040 3.385 2.501 1.00 0.00 N ATOM 1059 CA MET A 72 -11.331 3.948 1.395 1.00 0.00 C ATOM 1060 C MET A 72 -10.139 4.796 1.679 1.00 0.00 C ATOM 1061 O MET A 72 -9.176 4.810 0.913 1.00 0.00 O ATOM 1062 CB MET A 72 -12.199 4.778 0.434 1.00 0.00 C ATOM 1063 CG MET A 72 -12.935 3.926 -0.602 1.00 0.00 C ATOM 1064 SD MET A 72 -11.854 3.214 -1.878 1.00 0.00 S ATOM 1065 CE MET A 72 -13.146 2.246 -2.710 1.00 0.00 C ATOM 0 H MET A 72 -13.049 3.511 2.423 1.00 0.00 H new ATOM 0 HA MET A 72 -10.990 3.013 0.951 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.928 5.346 1.012 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.568 5.502 -0.082 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.455 3.117 -0.089 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.696 4.538 -1.086 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.696 1.638 -3.495 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.638 1.597 -1.985 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.880 2.921 -3.150 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.202 5.597 2.757 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.064 6.344 3.196 1.00 0.00 C ATOM 1077 C ALA A 73 -8.011 5.557 3.896 1.00 0.00 C ATOM 1078 O ALA A 73 -6.828 5.879 3.790 1.00 0.00 O ATOM 1079 CB ALA A 73 -9.608 7.454 4.111 1.00 0.00 C ATOM 0 H ALA A 73 -11.040 5.728 3.324 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.550 6.727 2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.780 8.061 4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.298 8.084 3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.132 7.006 4.955 1.00 0.00 H new ATOM 1234 N GLU A 83 2.197 -2.654 -7.601 1.00 0.00 N ATOM 1235 CA GLU A 83 1.339 -2.957 -8.705 1.00 0.00 C ATOM 1236 C GLU A 83 0.194 -2.087 -9.095 1.00 0.00 C ATOM 1237 O GLU A 83 -0.188 -2.078 -10.264 1.00 0.00 O ATOM 1238 CB GLU A 83 0.760 -4.365 -8.489 1.00 0.00 C ATOM 1239 CG GLU A 83 1.768 -5.500 -8.683 1.00 0.00 C ATOM 1240 CD GLU A 83 2.223 -5.998 -10.047 1.00 0.00 C ATOM 1241 OE1 GLU A 83 1.365 -6.492 -10.827 1.00 0.00 O ATOM 1242 OE2 GLU A 83 3.436 -5.816 -10.337 1.00 0.00 O ATOM 0 HA GLU A 83 2.032 -2.804 -9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.352 -4.426 -7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.072 -4.512 -9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.670 -5.203 -8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.359 -6.365 -8.162 1.00 0.00 H new ATOM 1249 N GLU A 84 -0.400 -1.332 -8.155 1.00 0.00 N ATOM 1250 CA GLU A 84 -1.438 -0.394 -8.452 1.00 0.00 C ATOM 1251 C GLU A 84 -0.993 0.692 -9.370 1.00 0.00 C ATOM 1252 O GLU A 84 -1.579 1.057 -10.388 1.00 0.00 O ATOM 1253 CB GLU A 84 -1.969 0.145 -7.113 1.00 0.00 C ATOM 1254 CG GLU A 84 -2.752 -0.801 -6.199 1.00 0.00 C ATOM 1255 CD GLU A 84 -4.001 -1.420 -6.810 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -5.080 -0.781 -6.692 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -3.997 -2.601 -7.250 1.00 0.00 O ATOM 0 H GLU A 84 -0.154 -1.374 -7.166 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.239 -0.893 -8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.117 0.522 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.610 0.999 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.087 -1.605 -5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.041 -0.254 -5.301 1.00 0.00 H new ATOM 1264 N ILE A 85 0.187 1.265 -9.074 1.00 0.00 N ATOM 1265 CA ILE A 85 0.839 2.352 -9.736 1.00 0.00 C ATOM 1266 C ILE A 85 1.187 2.026 -11.148 1.00 0.00 C ATOM 1267 O ILE A 85 0.917 2.796 -12.068 1.00 0.00 O ATOM 1268 CB ILE A 85 1.892 3.061 -8.939 1.00 0.00 C ATOM 1269 CG1 ILE A 85 3.355 2.677 -9.220 1.00 0.00 C ATOM 1270 CG2 ILE A 85 1.440 3.182 -7.473 1.00 0.00 C ATOM 1271 CD1 ILE A 85 4.298 2.926 -8.044 1.00 0.00 C ATOM 0 H ILE A 85 0.741 0.929 -8.286 1.00 0.00 H new ATOM 0 HA ILE A 85 0.090 3.141 -9.810 1.00 0.00 H new ATOM 0 HB ILE A 85 1.964 4.081 -9.316 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.398 1.622 -9.490 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.709 3.241 -10.083 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.208 3.698 -6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.509 3.747 -7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.282 2.187 -7.058 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.310 2.630 -8.320 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.287 3.985 -7.787 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.971 2.340 -7.185 1.00 0.00 H new ATOM 1283 N ARG A 86 1.750 0.813 -11.291 1.00 0.00 N ATOM 1284 CA ARG A 86 2.210 0.217 -12.507 1.00 0.00 C ATOM 1285 C ARG A 86 1.135 0.048 -13.526 1.00 0.00 C ATOM 1286 O ARG A 86 1.265 0.562 -14.636 1.00 0.00 O ATOM 1287 CB ARG A 86 2.891 -1.144 -12.289 1.00 0.00 C ATOM 1288 CG ARG A 86 4.164 -1.190 -11.442 1.00 0.00 C ATOM 1289 CD ARG A 86 4.683 -2.626 -11.341 1.00 0.00 C ATOM 1290 NE ARG A 86 5.908 -2.542 -10.497 1.00 0.00 N ATOM 1291 CZ ARG A 86 6.500 -3.578 -9.834 1.00 0.00 C ATOM 1292 NH1 ARG A 86 5.914 -4.794 -9.635 1.00 0.00 N ATOM 1293 NH2 ARG A 86 7.596 -3.243 -9.093 1.00 0.00 N ATOM 0 H ARG A 86 1.895 0.200 -10.489 1.00 0.00 H new ATOM 0 HA ARG A 86 2.944 0.929 -12.885 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.162 -1.811 -11.830 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.128 -1.558 -13.269 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.927 -0.551 -11.885 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.960 -0.799 -10.445 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.939 -3.283 -10.890 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.911 -3.032 -12.326 1.00 0.00 H new ATOM 0 HE ARG A 86 6.345 -1.625 -10.406 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.975 -4.972 -9.992 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.415 -5.525 -9.130 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.916 -2.275 -9.065 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.095 -3.961 -8.568 1.00 0.00 H new ATOM 1307 N GLU A 87 0.001 -0.595 -13.195 1.00 0.00 N ATOM 1308 CA GLU A 87 -1.016 -0.912 -14.149 1.00 0.00 C ATOM 1309 C GLU A 87 -1.832 0.318 -14.352 1.00 0.00 C ATOM 1310 O GLU A 87 -2.179 0.563 -15.506 1.00 0.00 O ATOM 1311 CB GLU A 87 -1.923 -2.049 -13.647 1.00 0.00 C ATOM 1312 CG GLU A 87 -3.103 -2.313 -14.584 1.00 0.00 C ATOM 1313 CD GLU A 87 -3.749 -3.628 -14.171 1.00 0.00 C ATOM 1314 OE1 GLU A 87 -3.060 -4.682 -14.181 1.00 0.00 O ATOM 1315 OE2 GLU A 87 -4.906 -3.610 -13.671 1.00 0.00 O ATOM 0 H GLU A 87 -0.214 -0.901 -12.246 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.554 -1.246 -15.078 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.334 -2.960 -13.543 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.300 -1.798 -12.655 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.825 -1.499 -14.525 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.764 -2.364 -15.619 1.00 0.00 H new ATOM 1322 N ALA A 88 -1.917 1.262 -13.397 1.00 0.00 N ATOM 1323 CA ALA A 88 -2.526 2.537 -13.619 1.00 0.00 C ATOM 1324 C ALA A 88 -1.749 3.289 -14.644 1.00 0.00 C ATOM 1325 O ALA A 88 -2.323 3.855 -15.574 1.00 0.00 O ATOM 1326 CB ALA A 88 -2.779 3.389 -12.364 1.00 0.00 C ATOM 0 H ALA A 88 -1.555 1.137 -12.452 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.531 2.322 -13.983 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.243 4.332 -12.652 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.442 2.851 -11.686 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.832 3.589 -11.863 1.00 0.00 H new ATOM 1332 N PHE A 89 -0.409 3.259 -14.531 1.00 0.00 N ATOM 1333 CA PHE A 89 0.466 3.662 -15.587 1.00 0.00 C ATOM 1334 C PHE A 89 0.281 3.011 -16.914 1.00 0.00 C ATOM 1335 O PHE A 89 0.089 3.603 -17.975 1.00 0.00 O ATOM 1336 CB PHE A 89 1.942 3.847 -15.196 1.00 0.00 C ATOM 1337 CG PHE A 89 2.732 4.717 -16.112 1.00 0.00 C ATOM 1338 CD1 PHE A 89 3.161 4.223 -17.322 1.00 0.00 C ATOM 1339 CD2 PHE A 89 2.938 6.027 -15.748 1.00 0.00 C ATOM 1340 CE1 PHE A 89 3.823 5.052 -18.197 1.00 0.00 C ATOM 1341 CE2 PHE A 89 3.796 6.767 -16.526 1.00 0.00 C ATOM 1342 CZ PHE A 89 4.169 6.312 -17.768 1.00 0.00 C ATOM 0 H PHE A 89 0.076 2.949 -13.689 1.00 0.00 H new ATOM 0 HA PHE A 89 0.090 4.670 -15.759 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.986 4.268 -14.192 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.416 2.867 -15.152 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.979 3.191 -17.583 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.446 6.456 -14.887 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.065 4.722 -19.196 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.178 7.709 -16.160 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.744 6.955 -18.418 1.00 0.00 H new ATOM 1352 N ARG A 90 0.163 1.672 -16.969 1.00 0.00 N ATOM 1353 CA ARG A 90 -0.026 0.996 -18.215 1.00 0.00 C ATOM 1354 C ARG A 90 -1.312 1.288 -18.910 1.00 0.00 C ATOM 1355 O ARG A 90 -1.315 1.404 -20.134 1.00 0.00 O ATOM 1356 CB ARG A 90 0.148 -0.501 -17.909 1.00 0.00 C ATOM 1357 CG ARG A 90 -0.016 -1.432 -19.112 1.00 0.00 C ATOM 1358 CD ARG A 90 1.126 -1.276 -20.117 1.00 0.00 C ATOM 1359 NE ARG A 90 0.714 -0.445 -21.284 1.00 0.00 N ATOM 1360 CZ ARG A 90 1.120 -0.600 -22.578 1.00 0.00 C ATOM 1361 NH1 ARG A 90 1.824 -1.694 -22.990 1.00 0.00 N ATOM 1362 NH2 ARG A 90 0.760 0.377 -23.461 1.00 0.00 N ATOM 0 H ARG A 90 0.198 1.060 -16.154 1.00 0.00 H new ATOM 0 HA ARG A 90 0.709 1.359 -18.934 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.139 -0.656 -17.482 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.576 -0.787 -17.146 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.057 -2.465 -18.768 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.965 -1.222 -19.606 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.984 -0.817 -19.626 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.445 -2.259 -20.463 1.00 0.00 H new ATOM 0 HE ARG A 90 0.062 0.317 -21.096 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.062 -2.428 -22.323 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.112 -1.778 -23.965 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.212 1.176 -23.142 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.039 0.308 -24.440 1.00 0.00 H new ATOM 1376 N VAL A 91 -2.423 1.418 -18.163 1.00 0.00 N ATOM 1377 CA VAL A 91 -3.643 2.029 -18.592 1.00 0.00 C ATOM 1378 C VAL A 91 -3.523 3.314 -19.337 1.00 0.00 C ATOM 1379 O VAL A 91 -4.091 3.503 -20.412 1.00 0.00 O ATOM 1380 CB VAL A 91 -4.564 2.089 -17.410 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -5.769 3.021 -17.621 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -5.238 0.730 -17.154 1.00 0.00 C ATOM 0 H VAL A 91 -2.472 1.076 -17.203 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.067 1.398 -19.373 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.916 2.427 -16.601 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.393 3.017 -16.727 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.416 4.034 -17.812 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.353 2.673 -18.473 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.899 0.808 -16.291 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.818 0.441 -18.030 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.475 -0.024 -16.960 1.00 0.00 H new ATOM 1392 N PHE A 92 -2.757 4.254 -18.755 1.00 0.00 N ATOM 1393 CA PHE A 92 -2.518 5.504 -19.406 1.00 0.00 C ATOM 1394 C PHE A 92 -1.625 5.524 -20.598 1.00 0.00 C ATOM 1395 O PHE A 92 -1.985 6.088 -21.630 1.00 0.00 O ATOM 1396 CB PHE A 92 -2.001 6.537 -18.391 1.00 0.00 C ATOM 1397 CG PHE A 92 -3.052 6.846 -17.381 1.00 0.00 C ATOM 1398 CD1 PHE A 92 -4.394 6.921 -17.670 1.00 0.00 C ATOM 1399 CD2 PHE A 92 -2.658 7.072 -16.083 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -5.330 7.285 -16.730 1.00 0.00 C ATOM 1401 CE2 PHE A 92 -3.559 7.514 -15.143 1.00 0.00 C ATOM 1402 CZ PHE A 92 -4.870 7.712 -15.507 1.00 0.00 C ATOM 0 H PHE A 92 -2.308 4.151 -17.845 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.501 5.746 -19.809 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.111 6.152 -17.893 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.707 7.450 -18.909 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.725 6.686 -18.671 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.630 6.901 -15.799 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.387 7.237 -16.945 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.240 7.704 -14.129 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.545 8.208 -14.825 1.00 0.00 H new ATOM 1412 N ASP A 93 -0.493 4.803 -20.512 1.00 0.00 N ATOM 1413 CA ASP A 93 0.353 4.681 -21.659 1.00 0.00 C ATOM 1414 C ASP A 93 -0.316 3.821 -22.676 1.00 0.00 C ATOM 1415 O ASP A 93 -0.368 2.598 -22.559 1.00 0.00 O ATOM 1416 CB ASP A 93 1.741 4.273 -21.137 1.00 0.00 C ATOM 1417 CG ASP A 93 2.778 4.473 -22.234 1.00 0.00 C ATOM 1418 OD1 ASP A 93 2.487 5.193 -23.226 1.00 0.00 O ATOM 1419 OD2 ASP A 93 3.898 3.917 -22.083 1.00 0.00 O ATOM 0 H ASP A 93 -0.170 4.318 -19.675 1.00 0.00 H new ATOM 0 HA ASP A 93 0.521 5.602 -22.217 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.002 4.870 -20.263 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.729 3.230 -20.819 1.00 0.00 H new ATOM 1424 N LYS A 94 -0.893 4.505 -23.679 1.00 0.00 N ATOM 1425 CA LYS A 94 -1.470 3.880 -24.828 1.00 0.00 C ATOM 1426 C LYS A 94 -0.467 3.303 -25.768 1.00 0.00 C ATOM 1427 O LYS A 94 -0.385 2.102 -26.019 1.00 0.00 O ATOM 1428 CB LYS A 94 -2.474 4.807 -25.535 1.00 0.00 C ATOM 1429 CG LYS A 94 -3.070 4.362 -26.872 1.00 0.00 C ATOM 1430 CD LYS A 94 -3.911 5.451 -27.541 1.00 0.00 C ATOM 1431 CE LYS A 94 -4.211 5.166 -29.014 1.00 0.00 C ATOM 1432 NZ LYS A 94 -5.467 5.821 -29.444 1.00 0.00 N ATOM 0 H LYS A 94 -0.960 5.523 -23.691 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.027 3.022 -24.452 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.301 4.984 -24.847 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.982 5.766 -25.696 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.263 4.069 -27.544 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.689 3.479 -26.712 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.851 5.558 -27.000 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.388 6.404 -27.462 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.385 5.519 -29.631 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.288 4.090 -29.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.073 5.127 -29.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.966 6.196 -28.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.246 6.601 -30.096 1.00 0.00 H new ATOM 1446 N ASP A 95 0.330 4.165 -26.423 1.00 0.00 N ATOM 1447 CA ASP A 95 1.353 3.758 -27.336 1.00 0.00 C ATOM 1448 C ASP A 95 2.295 2.708 -26.855 1.00 0.00 C ATOM 1449 O ASP A 95 2.629 1.791 -27.603 1.00 0.00 O ATOM 1450 CB ASP A 95 2.088 4.959 -27.954 1.00 0.00 C ATOM 1451 CG ASP A 95 2.614 6.013 -26.989 1.00 0.00 C ATOM 1452 OD1 ASP A 95 3.354 5.609 -26.053 1.00 0.00 O ATOM 1453 OD2 ASP A 95 2.060 7.143 -26.937 1.00 0.00 O ATOM 0 H ASP A 95 0.261 5.177 -26.314 1.00 0.00 H new ATOM 0 HA ASP A 95 0.797 3.249 -28.124 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.929 4.580 -28.535 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.411 5.448 -28.655 1.00 0.00 H new ATOM 1458 N GLY A 96 2.668 2.787 -25.566 1.00 0.00 N ATOM 1459 CA GLY A 96 3.598 1.919 -24.912 1.00 0.00 C ATOM 1460 C GLY A 96 5.018 2.351 -25.043 1.00 0.00 C ATOM 1461 O GLY A 96 5.946 1.554 -25.172 1.00 0.00 O ATOM 0 H GLY A 96 2.297 3.502 -24.941 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.342 1.859 -23.854 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.494 0.915 -25.323 1.00 0.00 H new ATOM 1465 N ASN A 97 5.222 3.676 -24.941 1.00 0.00 N ATOM 1466 CA ASN A 97 6.540 4.230 -24.908 1.00 0.00 C ATOM 1467 C ASN A 97 7.191 4.359 -23.574 1.00 0.00 C ATOM 1468 O ASN A 97 8.413 4.314 -23.440 1.00 0.00 O ATOM 1469 CB ASN A 97 6.647 5.473 -25.808 1.00 0.00 C ATOM 1470 CG ASN A 97 5.931 6.707 -25.278 1.00 0.00 C ATOM 1471 OD1 ASN A 97 5.217 6.699 -24.276 1.00 0.00 O ATOM 1472 ND2 ASN A 97 6.140 7.921 -25.854 1.00 0.00 N ATOM 0 H ASN A 97 4.473 4.365 -24.881 1.00 0.00 H new ATOM 0 HA ASN A 97 7.172 3.457 -25.345 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.701 5.714 -25.948 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.243 5.229 -26.790 1.00 0.00 H new ATOM 0 HD21 ASN A 97 5.714 8.756 -25.452 1.00 0.00 H new ATOM 0 HD22 ASN A 97 6.723 7.996 -26.688 1.00 0.00 H new ATOM 1479 N GLY A 98 6.437 4.549 -22.477 1.00 0.00 N ATOM 1480 CA GLY A 98 6.936 4.984 -21.210 1.00 0.00 C ATOM 1481 C GLY A 98 6.577 6.345 -20.720 1.00 0.00 C ATOM 1482 O GLY A 98 6.822 6.593 -19.541 1.00 0.00 O ATOM 0 H GLY A 98 5.429 4.391 -22.474 1.00 0.00 H new ATOM 0 HA2 GLY A 98 6.602 4.266 -20.461 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.024 4.924 -21.247 1.00 0.00 H new ATOM 1486 N TYR A 99 5.792 7.113 -21.497 1.00 0.00 N ATOM 1487 CA TYR A 99 5.470 8.494 -21.309 1.00 0.00 C ATOM 1488 C TYR A 99 4.004 8.695 -21.486 1.00 0.00 C ATOM 1489 O TYR A 99 3.438 8.351 -22.523 1.00 0.00 O ATOM 1490 CB TYR A 99 6.141 9.379 -22.373 1.00 0.00 C ATOM 1491 CG TYR A 99 7.626 9.322 -22.266 1.00 0.00 C ATOM 1492 CD1 TYR A 99 8.354 10.171 -21.466 1.00 0.00 C ATOM 1493 CD2 TYR A 99 8.302 8.425 -23.058 1.00 0.00 C ATOM 1494 CE1 TYR A 99 9.720 10.059 -21.360 1.00 0.00 C ATOM 1495 CE2 TYR A 99 9.650 8.238 -22.865 1.00 0.00 C ATOM 1496 CZ TYR A 99 10.388 9.112 -22.100 1.00 0.00 C ATOM 1497 OH TYR A 99 11.791 8.976 -22.051 1.00 0.00 O ATOM 0 H TYR A 99 5.344 6.732 -22.330 1.00 0.00 H new ATOM 0 HA TYR A 99 5.812 8.765 -20.310 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.833 9.054 -23.367 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.805 10.409 -22.257 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.842 10.942 -20.909 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.779 7.872 -23.825 1.00 0.00 H new ATOM 0 HE1 TYR A 99 10.267 10.713 -20.697 1.00 0.00 H new ATOM 0 HE2 TYR A 99 10.139 7.390 -23.322 1.00 0.00 H new ATOM 0 HH TYR A 99 12.070 8.249 -22.646 1.00 0.00 H new ATOM 1507 N ILE A 100 3.366 9.343 -20.496 1.00 0.00 N ATOM 1508 CA ILE A 100 2.019 9.801 -20.642 1.00 0.00 C ATOM 1509 C ILE A 100 2.045 11.184 -21.196 1.00 0.00 C ATOM 1510 O ILE A 100 2.535 12.116 -20.559 1.00 0.00 O ATOM 1511 CB ILE A 100 1.173 9.791 -19.404 1.00 0.00 C ATOM 1512 CG1 ILE A 100 1.226 8.352 -18.862 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -0.263 10.252 -19.704 1.00 0.00 C ATOM 1514 CD1 ILE A 100 0.862 8.291 -17.379 1.00 0.00 C ATOM 0 H ILE A 100 3.785 9.551 -19.590 1.00 0.00 H new ATOM 0 HA ILE A 100 1.545 9.080 -21.308 1.00 0.00 H new ATOM 0 HB ILE A 100 1.547 10.493 -18.658 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.540 7.724 -19.431 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.227 7.945 -19.008 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.850 10.233 -18.786 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.244 11.267 -20.102 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.714 9.583 -20.437 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.911 7.258 -17.034 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.564 8.898 -16.807 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.149 8.673 -17.236 1.00 0.00 H new ATOM 1526 N SER A 101 1.536 11.442 -22.414 1.00 0.00 N ATOM 1527 CA SER A 101 1.313 12.719 -23.018 1.00 0.00 C ATOM 1528 C SER A 101 0.004 13.227 -22.520 1.00 0.00 C ATOM 1529 O SER A 101 -0.793 12.393 -22.093 1.00 0.00 O ATOM 1530 CB SER A 101 1.304 12.662 -24.555 1.00 0.00 C ATOM 1531 OG SER A 101 0.502 11.637 -25.122 1.00 0.00 O ATOM 0 H SER A 101 1.254 10.682 -23.033 1.00 0.00 H new ATOM 0 HA SER A 101 2.134 13.382 -22.745 1.00 0.00 H new ATOM 0 HB2 SER A 101 0.958 13.623 -24.935 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.329 12.532 -24.903 1.00 0.00 H new ATOM 0 HG SER A 101 0.859 10.762 -24.863 1.00 0.00 H new ATOM 1537 N ALA A 102 -0.281 14.528 -22.708 1.00 0.00 N ATOM 1538 CA ALA A 102 -1.549 15.070 -22.330 1.00 0.00 C ATOM 1539 C ALA A 102 -2.726 14.414 -22.966 1.00 0.00 C ATOM 1540 O ALA A 102 -3.627 13.962 -22.262 1.00 0.00 O ATOM 1541 CB ALA A 102 -1.615 16.601 -22.462 1.00 0.00 C ATOM 0 H ALA A 102 0.364 15.202 -23.120 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.623 14.830 -21.269 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -2.603 16.950 -22.160 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.859 17.054 -21.821 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.431 16.885 -23.498 1.00 0.00 H new ATOM 1547 N ALA A 103 -2.699 14.202 -24.294 1.00 0.00 N ATOM 1548 CA ALA A 103 -3.709 13.556 -25.073 1.00 0.00 C ATOM 1549 C ALA A 103 -3.998 12.175 -24.593 1.00 0.00 C ATOM 1550 O ALA A 103 -5.148 11.761 -24.454 1.00 0.00 O ATOM 1551 CB ALA A 103 -2.994 13.389 -26.425 1.00 0.00 C ATOM 0 H ALA A 103 -1.910 14.506 -24.865 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.645 14.115 -25.062 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.663 12.898 -27.132 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.713 14.369 -26.811 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.099 12.781 -26.291 1.00 0.00 H new ATOM 1557 N GLU A 104 -2.986 11.335 -24.310 1.00 0.00 N ATOM 1558 CA GLU A 104 -3.217 10.093 -23.640 1.00 0.00 C ATOM 1559 C GLU A 104 -3.908 10.162 -22.322 1.00 0.00 C ATOM 1560 O GLU A 104 -4.834 9.404 -22.038 1.00 0.00 O ATOM 1561 CB GLU A 104 -1.853 9.426 -23.392 1.00 0.00 C ATOM 1562 CG GLU A 104 -1.304 8.903 -24.720 1.00 0.00 C ATOM 1563 CD GLU A 104 0.077 8.344 -24.408 1.00 0.00 C ATOM 1564 OE1 GLU A 104 1.080 9.080 -24.208 1.00 0.00 O ATOM 1565 OE2 GLU A 104 0.231 7.104 -24.565 1.00 0.00 O ATOM 0 H GLU A 104 -2.010 11.515 -24.545 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.886 9.542 -24.301 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.158 10.142 -22.954 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.958 8.607 -22.680 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.953 8.132 -25.135 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.244 9.701 -25.460 1.00 0.00 H new ATOM 1572 N LEU A 105 -3.638 11.153 -21.454 1.00 0.00 N ATOM 1573 CA LEU A 105 -4.381 11.358 -20.250 1.00 0.00 C ATOM 1574 C LEU A 105 -5.811 11.721 -20.461 1.00 0.00 C ATOM 1575 O LEU A 105 -6.722 11.395 -19.701 1.00 0.00 O ATOM 1576 CB LEU A 105 -3.639 12.200 -19.198 1.00 0.00 C ATOM 1577 CG LEU A 105 -4.177 12.289 -17.761 1.00 0.00 C ATOM 1578 CD1 LEU A 105 -4.485 10.958 -17.055 1.00 0.00 C ATOM 1579 CD2 LEU A 105 -3.203 13.195 -16.988 1.00 0.00 C ATOM 0 H LEU A 105 -2.886 11.828 -21.592 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.446 10.371 -19.793 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.620 11.818 -19.139 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.577 13.218 -19.584 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.179 12.717 -17.795 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.857 11.157 -16.050 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.241 10.413 -17.620 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.576 10.360 -16.994 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.539 13.293 -15.956 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.206 12.755 -17.005 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.173 14.179 -17.455 1.00 0.00 H new ATOM 1591 N ARG A 106 -6.182 12.416 -21.551 1.00 0.00 N ATOM 1592 CA ARG A 106 -7.586 12.515 -21.802 1.00 0.00 C ATOM 1593 C ARG A 106 -8.254 11.355 -22.457 1.00 0.00 C ATOM 1594 O ARG A 106 -9.311 10.926 -21.997 1.00 0.00 O ATOM 1595 CB ARG A 106 -7.755 13.689 -22.782 1.00 0.00 C ATOM 1596 CG ARG A 106 -9.207 14.163 -22.864 1.00 0.00 C ATOM 1597 CD ARG A 106 -9.586 15.158 -23.963 1.00 0.00 C ATOM 1598 NE ARG A 106 -11.041 15.322 -23.688 1.00 0.00 N ATOM 1599 CZ ARG A 106 -12.038 15.549 -24.592 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -11.747 15.961 -25.861 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -13.357 15.508 -24.242 1.00 0.00 N ATOM 0 H ARG A 106 -5.562 12.879 -22.216 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.048 12.607 -20.819 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.120 14.518 -22.468 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.416 13.386 -23.773 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.838 13.282 -22.982 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.464 14.613 -21.905 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.039 16.097 -23.879 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.394 14.766 -24.962 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.325 15.257 -22.711 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.777 16.102 -26.141 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -12.500 16.128 -26.528 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.623 15.303 -23.279 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.076 15.683 -24.944 1.00 0.00 H new ATOM 1615 N HIS A 107 -7.687 10.807 -23.546 1.00 0.00 N ATOM 1616 CA HIS A 107 -7.995 9.745 -24.453 1.00 0.00 C ATOM 1617 C HIS A 107 -8.185 8.463 -23.718 1.00 0.00 C ATOM 1618 O HIS A 107 -9.125 7.742 -24.050 1.00 0.00 O ATOM 1619 CB HIS A 107 -6.866 9.491 -25.467 1.00 0.00 C ATOM 1620 CG HIS A 107 -7.199 8.390 -26.430 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -8.087 8.534 -27.476 1.00 0.00 N ATOM 1622 CD2 HIS A 107 -6.862 7.074 -26.360 1.00 0.00 C ATOM 1623 CE1 HIS A 107 -8.195 7.295 -28.028 1.00 0.00 C ATOM 1624 NE2 HIS A 107 -7.466 6.393 -27.398 1.00 0.00 N ATOM 0 H HIS A 107 -6.804 11.218 -23.849 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.902 10.057 -24.970 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.667 10.408 -26.022 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.951 9.237 -24.932 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -8.561 9.387 -27.772 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.223 6.632 -25.610 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -8.810 7.074 -28.888 1.00 0.00 H new ATOM 1632 N VAL A 108 -7.386 8.050 -22.718 1.00 0.00 N ATOM 1633 CA VAL A 108 -7.696 6.949 -21.860 1.00 0.00 C ATOM 1634 C VAL A 108 -8.966 7.020 -21.084 1.00 0.00 C ATOM 1635 O VAL A 108 -9.879 6.196 -21.047 1.00 0.00 O ATOM 1636 CB VAL A 108 -6.572 6.603 -20.929 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -6.857 5.416 -19.993 1.00 0.00 C ATOM 1638 CG2 VAL A 108 -5.454 6.283 -21.935 1.00 0.00 C ATOM 0 H VAL A 108 -6.495 8.497 -22.500 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.850 6.156 -22.592 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.351 7.400 -20.220 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.990 5.238 -19.357 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.723 5.643 -19.371 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.060 4.525 -20.587 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.548 6.007 -21.396 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.764 5.455 -22.572 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.257 7.160 -22.551 1.00 0.00 H new ATOM 1648 N MET A 109 -9.180 8.200 -20.474 1.00 0.00 N ATOM 1649 CA MET A 109 -10.340 8.631 -19.758 1.00 0.00 C ATOM 1650 C MET A 109 -11.614 8.763 -20.519 1.00 0.00 C ATOM 1651 O MET A 109 -12.671 8.527 -19.937 1.00 0.00 O ATOM 1652 CB MET A 109 -10.153 9.961 -19.008 1.00 0.00 C ATOM 1653 CG MET A 109 -9.100 9.926 -17.899 1.00 0.00 C ATOM 1654 SD MET A 109 -9.613 9.172 -16.326 1.00 0.00 S ATOM 1655 CE MET A 109 -8.153 9.765 -15.424 1.00 0.00 C ATOM 0 H MET A 109 -8.463 8.926 -20.486 1.00 0.00 H new ATOM 0 HA MET A 109 -10.441 7.785 -19.078 1.00 0.00 H new ATOM 0 HB2 MET A 109 -9.878 10.733 -19.727 1.00 0.00 H new ATOM 0 HB3 MET A 109 -11.109 10.255 -18.574 1.00 0.00 H new ATOM 0 HG2 MET A 109 -8.230 9.385 -18.270 1.00 0.00 H new ATOM 0 HG3 MET A 109 -8.779 10.948 -17.700 1.00 0.00 H new ATOM 0 HE1 MET A 109 -8.207 9.434 -14.387 1.00 0.00 H new ATOM 0 HE2 MET A 109 -7.252 9.363 -15.887 1.00 0.00 H new ATOM 0 HE3 MET A 109 -8.123 10.854 -15.456 1.00 0.00 H new ATOM 1665 N THR A 110 -11.551 9.005 -21.841 1.00 0.00 N ATOM 1666 CA THR A 110 -12.641 8.967 -22.766 1.00 0.00 C ATOM 1667 C THR A 110 -13.070 7.593 -23.149 1.00 0.00 C ATOM 1668 O THR A 110 -14.268 7.380 -23.331 1.00 0.00 O ATOM 1669 CB THR A 110 -12.584 9.885 -23.951 1.00 0.00 C ATOM 1670 OG1 THR A 110 -11.363 9.750 -24.665 1.00 0.00 O ATOM 1671 CG2 THR A 110 -12.693 11.374 -23.584 1.00 0.00 C ATOM 0 H THR A 110 -10.670 9.245 -22.296 1.00 0.00 H new ATOM 0 HA THR A 110 -13.428 9.403 -22.151 1.00 0.00 H new ATOM 0 HB THR A 110 -13.442 9.586 -24.553 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.832 9.026 -24.272 1.00 0.00 H new ATOM 0 HG21 THR A 110 -12.644 11.977 -24.491 1.00 0.00 H new ATOM 0 HG22 THR A 110 -13.641 11.556 -23.078 1.00 0.00 H new ATOM 0 HG23 THR A 110 -11.871 11.647 -22.922 1.00 0.00 H new ATOM 1679 N ASN A 111 -12.132 6.631 -23.219 1.00 0.00 N ATOM 1680 CA ASN A 111 -12.310 5.256 -23.568 1.00 0.00 C ATOM 1681 C ASN A 111 -13.085 4.561 -22.501 1.00 0.00 C ATOM 1682 O ASN A 111 -13.947 3.701 -22.672 1.00 0.00 O ATOM 1683 CB ASN A 111 -10.919 4.620 -23.727 1.00 0.00 C ATOM 1684 CG ASN A 111 -10.349 5.081 -25.060 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -11.014 5.794 -25.810 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -9.051 4.741 -25.286 1.00 0.00 N ATOM 0 H ASN A 111 -11.155 6.839 -23.011 1.00 0.00 H new ATOM 0 HA ASN A 111 -12.865 5.167 -24.502 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.266 4.920 -22.908 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.990 3.533 -23.697 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.572 5.082 -26.119 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -8.557 4.145 -24.622 1.00 0.00 H new ATOM 1693 N LEU A 112 -12.772 4.866 -21.230 1.00 0.00 N ATOM 1694 CA LEU A 112 -13.396 4.301 -20.074 1.00 0.00 C ATOM 1695 C LEU A 112 -14.788 4.756 -19.799 1.00 0.00 C ATOM 1696 O LEU A 112 -15.538 4.128 -19.054 1.00 0.00 O ATOM 1697 CB LEU A 112 -12.454 4.654 -18.910 1.00 0.00 C ATOM 1698 CG LEU A 112 -11.053 4.031 -19.023 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -10.189 4.720 -17.953 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -11.067 2.515 -18.764 1.00 0.00 C ATOM 0 H LEU A 112 -12.045 5.542 -20.996 1.00 0.00 H new ATOM 0 HA LEU A 112 -13.528 3.230 -20.227 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -12.354 5.738 -18.854 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -12.911 4.327 -17.976 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.667 4.174 -20.032 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.177 4.316 -17.986 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.158 5.792 -18.146 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.619 4.541 -16.968 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.055 2.121 -18.855 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -11.443 2.321 -17.759 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -11.713 2.027 -19.494 1.00 0.00 H new ATOM 1712 N GLY A 113 -15.204 5.932 -20.304 1.00 0.00 N ATOM 1713 CA GLY A 113 -16.521 6.456 -20.116 1.00 0.00 C ATOM 1714 C GLY A 113 -16.680 7.632 -19.214 1.00 0.00 C ATOM 1715 O GLY A 113 -17.756 8.089 -18.831 1.00 0.00 O ATOM 0 H GLY A 113 -14.603 6.538 -20.862 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -16.915 6.729 -21.095 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -17.149 5.652 -19.732 1.00 0.00 H new ATOM 1719 N GLU A 114 -15.520 8.202 -18.844 1.00 0.00 N ATOM 1720 CA GLU A 114 -15.320 9.207 -17.847 1.00 0.00 C ATOM 1721 C GLU A 114 -15.195 10.484 -18.604 1.00 0.00 C ATOM 1722 O GLU A 114 -14.832 10.543 -19.778 1.00 0.00 O ATOM 1723 CB GLU A 114 -14.061 8.890 -17.022 1.00 0.00 C ATOM 1724 CG GLU A 114 -13.817 9.592 -15.685 1.00 0.00 C ATOM 1725 CD GLU A 114 -14.761 8.975 -14.663 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -14.365 7.974 -14.008 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -15.815 9.579 -14.329 1.00 0.00 O ATOM 0 H GLU A 114 -14.641 7.933 -19.286 1.00 0.00 H new ATOM 0 HA GLU A 114 -16.138 9.263 -17.129 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -14.064 7.818 -16.827 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.199 9.096 -17.657 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.780 9.469 -15.372 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.998 10.663 -15.776 1.00 0.00 H new ATOM 1734 N LYS A 115 -15.576 11.612 -17.979 1.00 0.00 N ATOM 1735 CA LYS A 115 -15.420 12.896 -18.589 1.00 0.00 C ATOM 1736 C LYS A 115 -14.069 13.477 -18.350 1.00 0.00 C ATOM 1737 O LYS A 115 -13.682 13.574 -17.186 1.00 0.00 O ATOM 1738 CB LYS A 115 -16.494 13.859 -18.053 1.00 0.00 C ATOM 1739 CG LYS A 115 -17.886 13.248 -18.221 1.00 0.00 C ATOM 1740 CD LYS A 115 -18.974 14.306 -18.421 1.00 0.00 C ATOM 1741 CE LYS A 115 -20.402 13.789 -18.602 1.00 0.00 C ATOM 1742 NZ LYS A 115 -20.434 12.934 -19.809 1.00 0.00 N ATOM 0 H LYS A 115 -15.993 11.635 -17.049 1.00 0.00 H new ATOM 0 HA LYS A 115 -15.535 12.760 -19.664 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -16.308 14.073 -17.001 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -16.439 14.808 -18.586 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.881 12.572 -19.076 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.124 12.649 -17.342 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -18.960 14.977 -17.562 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -18.714 14.903 -19.295 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.715 13.221 -17.726 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -21.097 14.622 -18.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -21.421 12.723 -20.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -19.975 13.431 -20.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.928 12.046 -19.619 1.00 0.00 H new ATOM 1756 N LEU A 116 -13.265 13.839 -19.365 1.00 0.00 N ATOM 1757 CA LEU A 116 -12.162 14.644 -18.941 1.00 0.00 C ATOM 1758 C LEU A 116 -11.756 15.515 -20.079 1.00 0.00 C ATOM 1759 O LEU A 116 -11.850 15.103 -21.234 1.00 0.00 O ATOM 1760 CB LEU A 116 -10.921 13.832 -18.531 1.00 0.00 C ATOM 1761 CG LEU A 116 -9.887 14.462 -17.584 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -10.449 14.790 -16.190 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -8.588 13.656 -17.419 1.00 0.00 C ATOM 0 H LEU A 116 -13.352 13.613 -20.356 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.501 15.201 -18.067 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.272 12.911 -18.066 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.398 13.549 -19.445 1.00 0.00 H new ATOM 0 HG LEU A 116 -9.638 15.391 -18.096 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.664 15.231 -15.576 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -11.274 15.496 -16.287 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.808 13.875 -15.718 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.920 14.178 -16.734 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.820 12.669 -17.018 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.101 13.548 -18.388 1.00 0.00 H new ATOM 1775 N THR A 117 -11.449 16.775 -19.721 1.00 0.00 N ATOM 1776 CA THR A 117 -11.192 17.851 -20.628 1.00 0.00 C ATOM 1777 C THR A 117 -9.723 18.091 -20.695 1.00 0.00 C ATOM 1778 O THR A 117 -8.896 17.696 -19.875 1.00 0.00 O ATOM 1779 CB THR A 117 -11.936 19.144 -20.467 1.00 0.00 C ATOM 1780 OG1 THR A 117 -11.740 19.631 -19.148 1.00 0.00 O ATOM 1781 CG2 THR A 117 -13.454 18.957 -20.627 1.00 0.00 C ATOM 0 H THR A 117 -11.376 17.058 -18.744 1.00 0.00 H new ATOM 0 HA THR A 117 -11.610 17.486 -21.566 1.00 0.00 H new ATOM 0 HB THR A 117 -11.560 19.825 -21.231 1.00 0.00 H new ATOM 0 HG1 THR A 117 -12.112 18.992 -18.505 1.00 0.00 H new ATOM 0 HG21 THR A 117 -13.954 19.918 -20.503 1.00 0.00 H new ATOM 0 HG22 THR A 117 -13.669 18.561 -21.620 1.00 0.00 H new ATOM 0 HG23 THR A 117 -13.816 18.259 -19.872 1.00 0.00 H new ATOM 1789 N ASP A 118 -9.248 18.923 -21.639 1.00 0.00 N ATOM 1790 CA ASP A 118 -7.880 19.296 -21.824 1.00 0.00 C ATOM 1791 C ASP A 118 -7.288 20.126 -20.737 1.00 0.00 C ATOM 1792 O ASP A 118 -6.140 19.964 -20.326 1.00 0.00 O ATOM 1793 CB ASP A 118 -7.702 20.071 -23.140 1.00 0.00 C ATOM 1794 CG ASP A 118 -8.213 19.168 -24.254 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -7.527 18.157 -24.559 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -9.254 19.453 -24.905 1.00 0.00 O ATOM 0 H ASP A 118 -9.864 19.366 -22.321 1.00 0.00 H new ATOM 0 HA ASP A 118 -7.351 18.343 -21.827 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -8.259 21.008 -23.115 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -6.655 20.327 -23.299 1.00 0.00 H new ATOM 1801 N GLU A 119 -8.076 21.067 -20.187 1.00 0.00 N ATOM 1802 CA GLU A 119 -7.683 22.000 -19.177 1.00 0.00 C ATOM 1803 C GLU A 119 -7.608 21.340 -17.843 1.00 0.00 C ATOM 1804 O GLU A 119 -6.813 21.650 -16.957 1.00 0.00 O ATOM 1805 CB GLU A 119 -8.661 23.167 -18.968 1.00 0.00 C ATOM 1806 CG GLU A 119 -8.941 24.071 -20.171 1.00 0.00 C ATOM 1807 CD GLU A 119 -9.319 23.283 -21.417 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -10.161 22.350 -21.330 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -8.792 23.615 -22.512 1.00 0.00 O ATOM 0 H GLU A 119 -9.050 21.183 -20.466 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.725 22.374 -19.539 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.611 22.755 -18.627 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.276 23.790 -18.160 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -9.748 24.761 -19.923 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.058 24.675 -20.381 1.00 0.00 H new ATOM 1816 N GLU A 120 -8.325 20.220 -17.641 1.00 0.00 N ATOM 1817 CA GLU A 120 -8.261 19.414 -16.461 1.00 0.00 C ATOM 1818 C GLU A 120 -7.109 18.472 -16.539 1.00 0.00 C ATOM 1819 O GLU A 120 -6.472 18.261 -15.508 1.00 0.00 O ATOM 1820 CB GLU A 120 -9.490 18.499 -16.325 1.00 0.00 C ATOM 1821 CG GLU A 120 -10.797 19.220 -15.990 1.00 0.00 C ATOM 1822 CD GLU A 120 -11.956 18.234 -15.944 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -12.255 17.613 -14.889 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -12.604 18.109 -17.017 1.00 0.00 O ATOM 0 H GLU A 120 -8.981 19.859 -18.334 1.00 0.00 H new ATOM 0 HA GLU A 120 -8.186 20.114 -15.629 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.623 17.952 -17.259 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -9.290 17.760 -15.549 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -10.704 19.725 -15.029 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -10.996 19.989 -16.736 1.00 0.00 H new ATOM 1831 N VAL A 121 -6.747 17.854 -17.678 1.00 0.00 N ATOM 1832 CA VAL A 121 -5.473 17.240 -17.889 1.00 0.00 C ATOM 1833 C VAL A 121 -4.331 18.180 -17.710 1.00 0.00 C ATOM 1834 O VAL A 121 -3.344 17.803 -17.080 1.00 0.00 O ATOM 1835 CB VAL A 121 -5.420 16.717 -19.294 1.00 0.00 C ATOM 1836 CG1 VAL A 121 -3.992 16.359 -19.741 1.00 0.00 C ATOM 1837 CG2 VAL A 121 -6.301 15.458 -19.346 1.00 0.00 C ATOM 0 H VAL A 121 -7.367 17.779 -18.484 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.374 16.449 -17.146 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.774 17.494 -19.971 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.014 15.986 -20.765 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.362 17.247 -19.692 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -3.587 15.590 -19.083 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.288 15.047 -20.355 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.916 14.716 -18.647 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.324 15.718 -19.073 1.00 0.00 H new ATOM 1847 N ASP A 122 -4.308 19.398 -18.279 1.00 0.00 N ATOM 1848 CA ASP A 122 -3.326 20.393 -17.978 1.00 0.00 C ATOM 1849 C ASP A 122 -3.054 20.705 -16.547 1.00 0.00 C ATOM 1850 O ASP A 122 -1.884 20.785 -16.174 1.00 0.00 O ATOM 1851 CB ASP A 122 -3.889 21.636 -18.689 1.00 0.00 C ATOM 1852 CG ASP A 122 -2.891 22.783 -18.630 1.00 0.00 C ATOM 1853 OD1 ASP A 122 -1.863 22.741 -19.358 1.00 0.00 O ATOM 1854 OD2 ASP A 122 -3.117 23.835 -17.974 1.00 0.00 O ATOM 0 H ASP A 122 -4.994 19.700 -18.970 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.350 20.032 -18.301 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -4.115 21.396 -19.728 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -4.826 21.937 -18.220 1.00 0.00 H new ATOM 1859 N GLU A 123 -4.035 20.694 -15.627 1.00 0.00 N ATOM 1860 CA GLU A 123 -3.742 20.727 -14.228 1.00 0.00 C ATOM 1861 C GLU A 123 -2.968 19.585 -13.663 1.00 0.00 C ATOM 1862 O GLU A 123 -2.036 19.820 -12.896 1.00 0.00 O ATOM 1863 CB GLU A 123 -5.107 20.820 -13.526 1.00 0.00 C ATOM 1864 CG GLU A 123 -4.934 21.317 -12.090 1.00 0.00 C ATOM 1865 CD GLU A 123 -6.341 21.509 -11.542 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -7.360 21.173 -12.203 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -6.427 22.035 -10.401 1.00 0.00 O ATOM 0 H GLU A 123 -5.030 20.662 -15.851 1.00 0.00 H new ATOM 0 HA GLU A 123 -3.076 21.574 -14.062 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -5.761 21.497 -14.076 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -5.590 19.843 -13.524 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -4.377 20.596 -11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -4.374 22.252 -12.065 1.00 0.00 H new ATOM 1874 N MET A 124 -3.269 18.338 -14.066 1.00 0.00 N ATOM 1875 CA MET A 124 -2.504 17.161 -13.791 1.00 0.00 C ATOM 1876 C MET A 124 -1.091 17.133 -14.265 1.00 0.00 C ATOM 1877 O MET A 124 -0.089 17.008 -13.563 1.00 0.00 O ATOM 1878 CB MET A 124 -3.191 15.868 -14.262 1.00 0.00 C ATOM 1879 CG MET A 124 -4.637 15.647 -13.813 1.00 0.00 C ATOM 1880 SD MET A 124 -5.675 14.363 -14.574 1.00 0.00 S ATOM 1881 CE MET A 124 -7.151 14.787 -13.605 1.00 0.00 C ATOM 0 H MET A 124 -4.102 18.139 -14.620 1.00 0.00 H new ATOM 0 HA MET A 124 -2.459 17.210 -12.703 1.00 0.00 H new ATOM 0 HB2 MET A 124 -3.168 15.850 -15.352 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.596 15.023 -13.916 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.610 15.441 -12.743 1.00 0.00 H new ATOM 0 HG3 MET A 124 -5.159 16.595 -13.942 1.00 0.00 H new ATOM 0 HE1 MET A 124 -7.972 14.126 -13.884 1.00 0.00 H new ATOM 0 HE2 MET A 124 -6.935 14.670 -12.543 1.00 0.00 H new ATOM 0 HE3 MET A 124 -7.433 15.820 -13.806 1.00 0.00 H new ATOM 1891 N ILE A 125 -0.916 17.431 -15.565 1.00 0.00 N ATOM 1892 CA ILE A 125 0.298 17.448 -16.321 1.00 0.00 C ATOM 1893 C ILE A 125 1.320 18.390 -15.785 1.00 0.00 C ATOM 1894 O ILE A 125 2.472 18.067 -15.500 1.00 0.00 O ATOM 1895 CB ILE A 125 -0.019 17.618 -17.777 1.00 0.00 C ATOM 1896 CG1 ILE A 125 0.781 16.616 -18.626 1.00 0.00 C ATOM 1897 CG2 ILE A 125 0.168 19.038 -18.337 1.00 0.00 C ATOM 1898 CD1 ILE A 125 0.005 15.345 -18.965 1.00 0.00 C ATOM 0 H ILE A 125 -1.714 17.687 -16.147 1.00 0.00 H new ATOM 0 HA ILE A 125 0.791 16.482 -16.212 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.089 17.419 -17.845 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.089 17.102 -19.552 1.00 0.00 H new ATOM 0 HG13 ILE A 125 1.691 16.344 -18.091 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.089 19.048 -19.396 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.481 19.729 -17.800 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.207 19.344 -18.212 1.00 0.00 H new ATOM 0 HD11 ILE A 125 0.632 14.685 -19.565 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -0.280 14.836 -18.044 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -0.891 15.605 -19.528 1.00 0.00 H new ATOM 1910 N ARG A 126 0.923 19.621 -15.416 1.00 0.00 N ATOM 1911 CA ARG A 126 1.799 20.586 -14.826 1.00 0.00 C ATOM 1912 C ARG A 126 2.267 20.238 -13.455 1.00 0.00 C ATOM 1913 O ARG A 126 3.241 20.762 -12.917 1.00 0.00 O ATOM 1914 CB ARG A 126 1.204 21.996 -14.670 1.00 0.00 C ATOM 1915 CG ARG A 126 0.872 22.660 -16.008 1.00 0.00 C ATOM 1916 CD ARG A 126 -0.138 23.808 -15.949 1.00 0.00 C ATOM 1917 NE ARG A 126 -0.469 24.219 -17.342 1.00 0.00 N ATOM 1918 CZ ARG A 126 0.366 24.793 -18.257 1.00 0.00 C ATOM 1919 NH1 ARG A 126 1.502 25.441 -17.867 1.00 0.00 N ATOM 1920 NH2 ARG A 126 0.021 24.735 -19.576 1.00 0.00 N ATOM 0 H ARG A 126 -0.034 19.955 -15.531 1.00 0.00 H new ATOM 0 HA ARG A 126 2.613 20.576 -15.550 1.00 0.00 H new ATOM 0 HB2 ARG A 126 0.298 21.937 -14.066 1.00 0.00 H new ATOM 0 HB3 ARG A 126 1.910 22.623 -14.125 1.00 0.00 H new ATOM 0 HG2 ARG A 126 1.797 23.037 -16.445 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.488 21.897 -16.685 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -1.039 23.493 -15.423 1.00 0.00 H new ATOM 0 HD3 ARG A 126 0.277 24.650 -15.394 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.428 24.053 -17.647 1.00 0.00 H new ATOM 0 HH11 ARG A 126 1.740 25.503 -16.877 1.00 0.00 H new ATOM 0 HH12 ARG A 126 2.113 25.864 -18.566 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -0.843 24.271 -19.857 1.00 0.00 H new ATOM 0 HH22 ARG A 126 0.627 25.156 -20.281 1.00 0.00 H new ATOM 1934 N GLU A 127 1.450 19.507 -12.674 1.00 0.00 N ATOM 1935 CA GLU A 127 1.833 19.078 -11.365 1.00 0.00 C ATOM 1936 C GLU A 127 2.610 17.808 -11.294 1.00 0.00 C ATOM 1937 O GLU A 127 3.574 17.692 -10.539 1.00 0.00 O ATOM 1938 CB GLU A 127 0.577 19.018 -10.481 1.00 0.00 C ATOM 1939 CG GLU A 127 0.757 18.769 -8.982 1.00 0.00 C ATOM 1940 CD GLU A 127 -0.510 18.885 -8.146 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -1.396 17.998 -8.275 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -0.611 19.838 -7.328 1.00 0.00 O ATOM 0 H GLU A 127 0.515 19.211 -12.954 1.00 0.00 H new ATOM 0 HA GLU A 127 2.541 19.820 -10.997 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.041 19.960 -10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.069 18.232 -10.873 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.174 17.771 -8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.492 19.477 -8.599 1.00 0.00 H new ATOM 1949 N ALA A 128 2.322 16.843 -12.186 1.00 0.00 N ATOM 1950 CA ALA A 128 3.097 15.650 -12.325 1.00 0.00 C ATOM 1951 C ALA A 128 4.417 15.802 -13.000 1.00 0.00 C ATOM 1952 O ALA A 128 5.394 15.133 -12.669 1.00 0.00 O ATOM 1953 CB ALA A 128 2.211 14.745 -13.198 1.00 0.00 C ATOM 0 H ALA A 128 1.530 16.894 -12.827 1.00 0.00 H new ATOM 0 HA ALA A 128 3.347 15.276 -11.332 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.717 13.794 -13.367 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.263 14.566 -12.691 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.025 15.232 -14.155 1.00 0.00 H new ATOM 1959 N ASP A 129 4.505 16.560 -14.108 1.00 0.00 N ATOM 1960 CA ASP A 129 5.637 16.672 -14.975 1.00 0.00 C ATOM 1961 C ASP A 129 6.752 17.391 -14.297 1.00 0.00 C ATOM 1962 O ASP A 129 6.607 18.447 -13.683 1.00 0.00 O ATOM 1963 CB ASP A 129 5.279 17.472 -16.238 1.00 0.00 C ATOM 1964 CG ASP A 129 6.444 17.636 -17.205 1.00 0.00 C ATOM 1965 OD1 ASP A 129 7.085 16.642 -17.637 1.00 0.00 O ATOM 1966 OD2 ASP A 129 6.718 18.819 -17.543 1.00 0.00 O ATOM 0 H ASP A 129 3.725 17.138 -14.420 1.00 0.00 H new ATOM 0 HA ASP A 129 5.940 15.658 -15.238 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.457 16.974 -16.753 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.920 18.458 -15.944 1.00 0.00 H new ATOM 1971 N ILE A 130 7.901 16.695 -14.225 1.00 0.00 N ATOM 1972 CA ILE A 130 9.028 17.191 -13.498 1.00 0.00 C ATOM 1973 C ILE A 130 9.932 18.072 -14.289 1.00 0.00 C ATOM 1974 O ILE A 130 10.118 19.251 -13.992 1.00 0.00 O ATOM 1975 CB ILE A 130 9.813 16.088 -12.853 1.00 0.00 C ATOM 1976 CG1 ILE A 130 9.053 15.688 -11.577 1.00 0.00 C ATOM 1977 CG2 ILE A 130 11.208 16.590 -12.446 1.00 0.00 C ATOM 1978 CD1 ILE A 130 9.554 14.340 -11.063 1.00 0.00 C ATOM 0 H ILE A 130 8.049 15.789 -14.670 1.00 0.00 H new ATOM 0 HA ILE A 130 8.591 17.818 -12.720 1.00 0.00 H new ATOM 0 HB ILE A 130 9.928 15.253 -13.544 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.189 16.451 -10.810 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.984 15.632 -11.784 1.00 0.00 H new ATOM 0 HG21 ILE A 130 11.765 15.778 -11.979 1.00 0.00 H new ATOM 0 HG22 ILE A 130 11.743 16.935 -13.331 1.00 0.00 H new ATOM 0 HG23 ILE A 130 11.106 17.413 -11.739 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.008 14.069 -10.160 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.395 13.578 -11.826 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.618 14.410 -10.836 1.00 0.00 H new ATOM 1990 N ASP A 131 10.491 17.580 -15.409 1.00 0.00 N ATOM 1991 CA ASP A 131 11.489 18.272 -16.165 1.00 0.00 C ATOM 1992 C ASP A 131 11.001 19.262 -17.166 1.00 0.00 C ATOM 1993 O ASP A 131 11.682 19.709 -18.088 1.00 0.00 O ATOM 1994 CB ASP A 131 12.420 17.251 -16.839 1.00 0.00 C ATOM 1995 CG ASP A 131 11.691 16.099 -17.515 1.00 0.00 C ATOM 1996 OD1 ASP A 131 10.459 16.223 -17.749 1.00 0.00 O ATOM 1997 OD2 ASP A 131 12.387 15.090 -17.806 1.00 0.00 O ATOM 0 H ASP A 131 10.241 16.672 -15.801 1.00 0.00 H new ATOM 0 HA ASP A 131 12.018 18.881 -15.432 1.00 0.00 H new ATOM 0 HB2 ASP A 131 13.031 17.766 -17.581 1.00 0.00 H new ATOM 0 HB3 ASP A 131 13.101 16.847 -16.090 1.00 0.00 H new ATOM 2002 N GLY A 132 9.720 19.661 -17.076 1.00 0.00 N ATOM 2003 CA GLY A 132 9.257 20.695 -17.948 1.00 0.00 C ATOM 2004 C GLY A 132 9.059 20.448 -19.404 1.00 0.00 C ATOM 2005 O GLY A 132 9.023 21.431 -20.141 1.00 0.00 O ATOM 0 H GLY A 132 9.028 19.286 -16.427 1.00 0.00 H new ATOM 0 HA2 GLY A 132 8.303 21.041 -17.552 1.00 0.00 H new ATOM 0 HA3 GLY A 132 9.959 21.524 -17.859 1.00 0.00 H new ATOM 2009 N ASP A 133 8.951 19.195 -19.880 1.00 0.00 N ATOM 2010 CA ASP A 133 8.936 18.902 -21.280 1.00 0.00 C ATOM 2011 C ASP A 133 7.581 18.651 -21.846 1.00 0.00 C ATOM 2012 O ASP A 133 7.250 18.741 -23.027 1.00 0.00 O ATOM 2013 CB ASP A 133 10.061 17.882 -21.525 1.00 0.00 C ATOM 2014 CG ASP A 133 9.692 16.564 -20.859 1.00 0.00 C ATOM 2015 OD1 ASP A 133 8.606 16.309 -20.273 1.00 0.00 O ATOM 2016 OD2 ASP A 133 10.568 15.661 -20.914 1.00 0.00 O ATOM 0 H ASP A 133 8.873 18.371 -19.283 1.00 0.00 H new ATOM 0 HA ASP A 133 9.169 19.774 -21.891 1.00 0.00 H new ATOM 0 HB2 ASP A 133 10.208 17.734 -22.595 1.00 0.00 H new ATOM 0 HB3 ASP A 133 11.002 18.256 -21.122 1.00 0.00 H new ATOM 2021 N GLY A 134 6.671 18.426 -20.881 1.00 0.00 N ATOM 2022 CA GLY A 134 5.256 18.369 -21.078 1.00 0.00 C ATOM 2023 C GLY A 134 4.591 17.035 -21.059 1.00 0.00 C ATOM 2024 O GLY A 134 3.400 16.879 -21.325 1.00 0.00 O ATOM 0 H GLY A 134 6.939 18.275 -19.908 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.789 18.984 -20.309 1.00 0.00 H new ATOM 0 HA3 GLY A 134 5.035 18.836 -22.038 1.00 0.00 H new ATOM 2028 N GLN A 135 5.316 15.936 -20.787 1.00 0.00 N ATOM 2029 CA GLN A 135 4.811 14.599 -20.725 1.00 0.00 C ATOM 2030 C GLN A 135 5.223 13.999 -19.424 1.00 0.00 C ATOM 2031 O GLN A 135 6.358 14.175 -18.984 1.00 0.00 O ATOM 2032 CB GLN A 135 5.432 13.678 -21.789 1.00 0.00 C ATOM 2033 CG GLN A 135 5.131 14.076 -23.235 1.00 0.00 C ATOM 2034 CD GLN A 135 5.364 12.961 -24.244 1.00 0.00 C ATOM 2035 OE1 GLN A 135 4.528 12.062 -24.161 1.00 0.00 O ATOM 2036 NE2 GLN A 135 6.290 13.064 -25.235 1.00 0.00 N ATOM 0 H GLN A 135 6.317 15.984 -20.599 1.00 0.00 H new ATOM 0 HA GLN A 135 3.733 14.669 -20.869 1.00 0.00 H new ATOM 0 HB2 GLN A 135 6.513 13.661 -21.649 1.00 0.00 H new ATOM 0 HB3 GLN A 135 5.073 12.662 -21.624 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.093 14.403 -23.303 1.00 0.00 H new ATOM 0 HG3 GLN A 135 5.752 14.931 -23.503 1.00 0.00 H new ATOM 0 HE21 GLN A 135 6.952 13.840 -25.236 1.00 0.00 H new ATOM 0 HE22 GLN A 135 6.323 12.365 -25.977 1.00 0.00 H new ATOM 2045 N VAL A 136 4.329 13.139 -18.904 1.00 0.00 N ATOM 2046 CA VAL A 136 4.531 12.360 -17.721 1.00 0.00 C ATOM 2047 C VAL A 136 5.195 11.056 -18.000 1.00 0.00 C ATOM 2048 O VAL A 136 4.553 10.061 -18.333 1.00 0.00 O ATOM 2049 CB VAL A 136 3.253 12.186 -16.955 1.00 0.00 C ATOM 2050 CG1 VAL A 136 3.453 11.596 -15.549 1.00 0.00 C ATOM 2051 CG2 VAL A 136 2.553 13.555 -16.919 1.00 0.00 C ATOM 0 H VAL A 136 3.417 12.979 -19.332 1.00 0.00 H new ATOM 0 HA VAL A 136 5.219 12.921 -17.089 1.00 0.00 H new ATOM 0 HB VAL A 136 2.629 11.449 -17.461 1.00 0.00 H new ATOM 0 HG11 VAL A 136 2.487 11.499 -15.054 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.920 10.614 -15.629 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.094 12.256 -14.965 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.616 13.470 -16.369 1.00 0.00 H new ATOM 0 HG22 VAL A 136 3.199 14.281 -16.426 1.00 0.00 H new ATOM 0 HG23 VAL A 136 2.347 13.885 -17.937 1.00 0.00 H new ATOM 2061 N ASN A 137 6.511 10.953 -17.745 1.00 0.00 N ATOM 2062 CA ASN A 137 7.168 9.694 -17.570 1.00 0.00 C ATOM 2063 C ASN A 137 6.894 8.993 -16.284 1.00 0.00 C ATOM 2064 O ASN A 137 6.158 9.398 -15.386 1.00 0.00 O ATOM 2065 CB ASN A 137 8.670 9.975 -17.741 1.00 0.00 C ATOM 2066 CG ASN A 137 9.518 8.799 -18.203 1.00 0.00 C ATOM 2067 OD1 ASN A 137 9.102 7.648 -18.078 1.00 0.00 O ATOM 2068 ND2 ASN A 137 10.763 9.091 -18.666 1.00 0.00 N ATOM 0 H ASN A 137 7.131 11.758 -17.659 1.00 0.00 H new ATOM 0 HA ASN A 137 6.775 8.997 -18.311 1.00 0.00 H new ATOM 0 HB2 ASN A 137 8.789 10.787 -18.458 1.00 0.00 H new ATOM 0 HB3 ASN A 137 9.064 10.330 -16.789 1.00 0.00 H new ATOM 0 HD21 ASN A 137 11.399 8.338 -18.928 1.00 0.00 H new ATOM 0 HD22 ASN A 137 11.060 10.063 -18.751 1.00 0.00 H new ATOM 2075 N TYR A 138 7.501 7.820 -16.029 1.00 0.00 N ATOM 2076 CA TYR A 138 7.081 6.945 -14.979 1.00 0.00 C ATOM 2077 C TYR A 138 7.393 7.451 -13.613 1.00 0.00 C ATOM 2078 O TYR A 138 6.600 7.475 -12.673 1.00 0.00 O ATOM 2079 CB TYR A 138 7.641 5.556 -15.331 1.00 0.00 C ATOM 2080 CG TYR A 138 7.070 4.507 -14.440 1.00 0.00 C ATOM 2081 CD1 TYR A 138 7.743 4.173 -13.289 1.00 0.00 C ATOM 2082 CD2 TYR A 138 5.942 3.837 -14.852 1.00 0.00 C ATOM 2083 CE1 TYR A 138 7.266 3.171 -12.476 1.00 0.00 C ATOM 2084 CE2 TYR A 138 5.483 2.827 -14.040 1.00 0.00 C ATOM 2085 CZ TYR A 138 6.083 2.566 -12.830 1.00 0.00 C ATOM 2086 OH TYR A 138 5.475 1.695 -11.901 1.00 0.00 O ATOM 0 H TYR A 138 8.298 7.473 -16.562 1.00 0.00 H new ATOM 0 HA TYR A 138 5.994 6.884 -14.921 1.00 0.00 H new ATOM 0 HB2 TYR A 138 7.411 5.320 -16.370 1.00 0.00 H new ATOM 0 HB3 TYR A 138 8.727 5.564 -15.239 1.00 0.00 H new ATOM 0 HD1 TYR A 138 8.648 4.698 -13.022 1.00 0.00 H new ATOM 0 HD2 TYR A 138 5.439 4.093 -15.773 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.803 2.869 -11.589 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.640 2.231 -14.356 1.00 0.00 H new ATOM 0 HH TYR A 138 4.532 1.938 -11.794 1.00 0.00 H new ATOM 2096 N GLU A 139 8.615 7.977 -13.421 1.00 0.00 N ATOM 2097 CA GLU A 139 8.963 8.401 -12.100 1.00 0.00 C ATOM 2098 C GLU A 139 8.315 9.718 -11.847 1.00 0.00 C ATOM 2099 O GLU A 139 8.025 10.114 -10.719 1.00 0.00 O ATOM 2100 CB GLU A 139 10.484 8.566 -11.951 1.00 0.00 C ATOM 2101 CG GLU A 139 11.261 7.350 -11.442 1.00 0.00 C ATOM 2102 CD GLU A 139 12.715 7.638 -11.094 1.00 0.00 C ATOM 2103 OE1 GLU A 139 13.526 8.079 -11.951 1.00 0.00 O ATOM 2104 OE2 GLU A 139 13.062 7.248 -9.947 1.00 0.00 O ATOM 0 H GLU A 139 9.330 8.105 -14.137 1.00 0.00 H new ATOM 0 HA GLU A 139 8.626 7.648 -11.388 1.00 0.00 H new ATOM 0 HB2 GLU A 139 10.892 8.849 -12.921 1.00 0.00 H new ATOM 0 HB3 GLU A 139 10.671 9.398 -11.272 1.00 0.00 H new ATOM 0 HG2 GLU A 139 10.759 6.956 -10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 139 11.229 6.569 -12.201 1.00 0.00 H new ATOM 2111 N GLU A 140 7.970 10.476 -12.903 1.00 0.00 N ATOM 2112 CA GLU A 140 7.093 11.593 -12.740 1.00 0.00 C ATOM 2113 C GLU A 140 5.712 11.273 -12.280 1.00 0.00 C ATOM 2114 O GLU A 140 5.243 11.892 -11.326 1.00 0.00 O ATOM 2115 CB GLU A 140 6.962 12.432 -14.022 1.00 0.00 C ATOM 2116 CG GLU A 140 8.360 12.583 -14.625 1.00 0.00 C ATOM 2117 CD GLU A 140 8.403 13.584 -15.770 1.00 0.00 C ATOM 2118 OE1 GLU A 140 7.771 13.349 -16.834 1.00 0.00 O ATOM 2119 OE2 GLU A 140 9.115 14.623 -15.722 1.00 0.00 O ATOM 0 H GLU A 140 8.293 10.319 -13.858 1.00 0.00 H new ATOM 0 HA GLU A 140 7.588 12.153 -11.946 1.00 0.00 H new ATOM 0 HB2 GLU A 140 6.291 11.946 -14.730 1.00 0.00 H new ATOM 0 HB3 GLU A 140 6.535 13.409 -13.797 1.00 0.00 H new ATOM 0 HG2 GLU A 140 9.054 12.898 -13.846 1.00 0.00 H new ATOM 0 HG3 GLU A 140 8.703 11.612 -14.984 1.00 0.00 H new ATOM 2126 N PHE A 141 5.029 10.266 -12.854 1.00 0.00 N ATOM 2127 CA PHE A 141 3.796 9.741 -12.357 1.00 0.00 C ATOM 2128 C PHE A 141 3.835 9.235 -10.955 1.00 0.00 C ATOM 2129 O PHE A 141 2.997 9.508 -10.098 1.00 0.00 O ATOM 2130 CB PHE A 141 3.196 8.676 -13.291 1.00 0.00 C ATOM 2131 CG PHE A 141 1.774 8.289 -13.073 1.00 0.00 C ATOM 2132 CD1 PHE A 141 0.742 9.039 -13.588 1.00 0.00 C ATOM 2133 CD2 PHE A 141 1.541 7.129 -12.374 1.00 0.00 C ATOM 2134 CE1 PHE A 141 -0.545 8.560 -13.508 1.00 0.00 C ATOM 2135 CE2 PHE A 141 0.290 6.565 -12.461 1.00 0.00 C ATOM 2136 CZ PHE A 141 -0.746 7.310 -12.973 1.00 0.00 C ATOM 0 H PHE A 141 5.351 9.798 -13.701 1.00 0.00 H new ATOM 0 HA PHE A 141 3.142 10.613 -12.338 1.00 0.00 H new ATOM 0 HB2 PHE A 141 3.293 9.035 -14.316 1.00 0.00 H new ATOM 0 HB3 PHE A 141 3.805 7.776 -13.209 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.940 9.995 -14.051 1.00 0.00 H new ATOM 0 HD2 PHE A 141 2.316 6.675 -11.775 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.378 9.152 -13.857 1.00 0.00 H new ATOM 0 HE2 PHE A 141 0.123 5.550 -12.131 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.746 6.902 -12.954 1.00 0.00 H new ATOM 2146 N VAL A 142 4.855 8.420 -10.632 1.00 0.00 N ATOM 2147 CA VAL A 142 4.977 7.806 -9.346 1.00 0.00 C ATOM 2148 C VAL A 142 5.373 8.749 -8.262 1.00 0.00 C ATOM 2149 O VAL A 142 4.889 8.593 -7.142 1.00 0.00 O ATOM 2150 CB VAL A 142 5.999 6.715 -9.472 1.00 0.00 C ATOM 2151 CG1 VAL A 142 6.522 6.202 -8.119 1.00 0.00 C ATOM 2152 CG2 VAL A 142 5.407 5.566 -10.307 1.00 0.00 C ATOM 0 H VAL A 142 5.609 8.183 -11.276 1.00 0.00 H new ATOM 0 HA VAL A 142 3.998 7.426 -9.055 1.00 0.00 H new ATOM 0 HB VAL A 142 6.868 7.138 -9.976 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.257 5.415 -8.288 1.00 0.00 H new ATOM 0 HG12 VAL A 142 6.988 7.023 -7.574 1.00 0.00 H new ATOM 0 HG13 VAL A 142 5.692 5.804 -7.535 1.00 0.00 H new ATOM 0 HG21 VAL A 142 6.144 4.769 -10.403 1.00 0.00 H new ATOM 0 HG22 VAL A 142 4.516 5.179 -9.813 1.00 0.00 H new ATOM 0 HG23 VAL A 142 5.141 5.936 -11.297 1.00 0.00 H new ATOM 2162 N GLN A 143 6.111 9.841 -8.530 1.00 0.00 N ATOM 2163 CA GLN A 143 6.511 10.803 -7.550 1.00 0.00 C ATOM 2164 C GLN A 143 5.424 11.772 -7.234 1.00 0.00 C ATOM 2165 O GLN A 143 5.349 12.436 -6.202 1.00 0.00 O ATOM 2166 CB GLN A 143 7.740 11.619 -7.985 1.00 0.00 C ATOM 2167 CG GLN A 143 8.552 12.497 -7.032 1.00 0.00 C ATOM 2168 CD GLN A 143 9.176 11.847 -5.805 1.00 0.00 C ATOM 2169 OE1 GLN A 143 9.743 10.756 -5.770 1.00 0.00 O ATOM 2170 NE2 GLN A 143 8.980 12.564 -4.666 1.00 0.00 N ATOM 0 H GLN A 143 6.443 10.063 -9.469 1.00 0.00 H new ATOM 0 HA GLN A 143 6.756 10.210 -6.669 1.00 0.00 H new ATOM 0 HB2 GLN A 143 8.442 10.908 -8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 143 7.405 12.271 -8.792 1.00 0.00 H new ATOM 0 HG2 GLN A 143 9.354 12.959 -7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.903 13.302 -6.688 1.00 0.00 H new ATOM 0 HE21 GLN A 143 8.509 13.468 -4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 143 9.304 12.198 -3.771 1.00 0.00 H new ATOM 2179 N MET A 144 4.510 11.994 -8.196 1.00 0.00 N ATOM 2180 CA MET A 144 3.233 12.629 -8.104 1.00 0.00 C ATOM 2181 C MET A 144 2.227 11.886 -7.294 1.00 0.00 C ATOM 2182 O MET A 144 1.451 12.443 -6.519 1.00 0.00 O ATOM 2183 CB MET A 144 2.693 13.029 -9.488 1.00 0.00 C ATOM 2184 CG MET A 144 1.402 13.848 -9.422 1.00 0.00 C ATOM 2185 SD MET A 144 -0.150 12.912 -9.553 1.00 0.00 S ATOM 2186 CE MET A 144 0.043 12.086 -11.159 1.00 0.00 C ATOM 0 H MET A 144 4.693 11.690 -9.152 1.00 0.00 H new ATOM 0 HA MET A 144 3.411 13.545 -7.540 1.00 0.00 H new ATOM 0 HB2 MET A 144 3.454 13.605 -10.014 1.00 0.00 H new ATOM 0 HB3 MET A 144 2.514 12.128 -10.074 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.392 14.397 -8.480 1.00 0.00 H new ATOM 0 HG3 MET A 144 1.424 14.588 -10.222 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.857 12.235 -11.755 1.00 0.00 H new ATOM 0 HE2 MET A 144 0.900 12.507 -11.684 1.00 0.00 H new ATOM 0 HE3 MET A 144 0.202 11.019 -11.003 1.00 0.00 H new ATOM 2196 N MET A 145 2.227 10.541 -7.270 1.00 0.00 N ATOM 2197 CA MET A 145 1.450 9.707 -6.407 1.00 0.00 C ATOM 2198 C MET A 145 1.959 9.737 -5.007 1.00 0.00 C ATOM 2199 O MET A 145 1.160 9.575 -4.087 1.00 0.00 O ATOM 2200 CB MET A 145 1.361 8.320 -7.066 1.00 0.00 C ATOM 2201 CG MET A 145 0.235 8.360 -8.101 1.00 0.00 C ATOM 2202 SD MET A 145 -0.349 6.749 -8.710 1.00 0.00 S ATOM 2203 CE MET A 145 -1.804 7.419 -9.567 1.00 0.00 C ATOM 0 H MET A 145 2.815 9.997 -7.902 1.00 0.00 H new ATOM 0 HA MET A 145 0.430 10.075 -6.293 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.307 8.063 -7.542 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.163 7.554 -6.316 1.00 0.00 H new ATOM 0 HG2 MET A 145 -0.612 8.890 -7.666 1.00 0.00 H new ATOM 0 HG3 MET A 145 0.574 8.947 -8.954 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.314 6.616 -10.100 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.484 7.860 -8.839 1.00 0.00 H new ATOM 0 HE3 MET A 145 -1.488 8.183 -10.278 1.00 0.00 H new