USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 667 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 52 ASN :FLIP amide:sc= -2.67! C(o=-12!,f=-4.7!) USER MOD Set 1.2: B 16 SER OG : rot 110:sc= -2.04! USER MOD Set 2.1: A 42 LYS NZ :NH3+ -169:sc= 0.676 (180deg=0.3) USER MOD Set 2.2: A 46 MET CE :methyl -117:sc= -0.23 (180deg=0) USER MOD Set 2.3: B 9 ASN :FLIP amide:sc= -1.82 F(o=-2.5!,f=-1.4) USER MOD Set 3.1: A 20 GLN :FLIP amide:sc= -0.594 F(o=-1.1,f=-0.59) USER MOD Set 3.2: A 21 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0112) USER MOD Single : A 8 THR OG1 : rot -33:sc= 0.0214 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -132:sc= -5.03! (180deg=-10.6!) USER MOD Single : A 14 SER OG : rot -35:sc= 0.97 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 22 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.5!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.0834 X(o=0.083,f=0) USER MOD Single : A 35 MET CE :methyl 139:sc= -2.37! (180deg=-4.22!) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -8.35! C(o=-10!,f=-8.4!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.796 USER MOD Single : A 44 THR OG1 : rot 89:sc= 1.28 USER MOD Single : A 53 SER OG : rot -91:sc= 0.561 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.0696 F(o=-0.83,f=-0.07) USER MOD Single : A 58 MET CE :methyl 171:sc= -5.42! (180deg=-5.65!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= 0.325 (180deg=0.135) USER MOD Single : A 77 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.36) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 5 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.025) USER MOD Single : B 7 SER OG : rot 117:sc= 1.21 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.277 -8.181 -11.776 1.00 0.00 N ATOM 95 CA THR A 8 -4.078 -6.993 -11.511 1.00 0.00 C ATOM 96 C THR A 8 -5.065 -6.737 -12.637 1.00 0.00 C ATOM 97 O THR A 8 -6.205 -6.345 -12.390 1.00 0.00 O ATOM 98 CB THR A 8 -3.164 -5.778 -11.342 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.494 -5.488 -12.559 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.111 -5.961 -10.270 1.00 0.00 C ATOM 0 HA THR A 8 -4.640 -7.160 -10.592 1.00 0.00 H new ATOM 0 HB THR A 8 -3.820 -4.960 -11.043 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.322 -6.322 -13.044 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.499 -5.062 -10.204 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.596 -6.141 -9.311 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.479 -6.812 -10.522 1.00 0.00 H new ATOM 108 N ALA A 9 -4.642 -6.981 -13.871 1.00 0.00 N ATOM 109 CA ALA A 9 -5.530 -6.792 -15.006 1.00 0.00 C ATOM 110 C ALA A 9 -6.757 -7.676 -14.835 1.00 0.00 C ATOM 111 O ALA A 9 -7.869 -7.186 -14.626 1.00 0.00 O ATOM 112 CB ALA A 9 -4.813 -7.113 -16.311 1.00 0.00 C ATOM 0 H ALA A 9 -3.704 -7.305 -14.107 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.842 -5.748 -15.047 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.496 -6.965 -17.147 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.952 -6.454 -16.425 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.477 -8.150 -16.296 1.00 0.00 H new ATOM 118 N SER A 10 -6.549 -8.983 -14.944 1.00 0.00 N ATOM 119 CA SER A 10 -7.638 -9.946 -14.827 1.00 0.00 C ATOM 120 C SER A 10 -8.374 -9.819 -13.498 1.00 0.00 C ATOM 121 O SER A 10 -9.548 -10.180 -13.402 1.00 0.00 O ATOM 122 CB SER A 10 -7.102 -11.370 -14.980 1.00 0.00 C ATOM 123 OG SER A 10 -8.098 -12.324 -14.653 1.00 0.00 O ATOM 0 H SER A 10 -5.634 -9.401 -15.114 1.00 0.00 H new ATOM 0 HA SER A 10 -8.348 -9.729 -15.626 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.764 -11.528 -16.004 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.235 -11.508 -14.334 1.00 0.00 H new ATOM 0 HG SER A 10 -7.733 -13.227 -14.760 1.00 0.00 H new ATOM 129 N MET A 11 -7.702 -9.304 -12.470 1.00 0.00 N ATOM 130 CA MET A 11 -8.345 -9.153 -11.175 1.00 0.00 C ATOM 131 C MET A 11 -9.516 -8.184 -11.292 1.00 0.00 C ATOM 132 O MET A 11 -10.603 -8.442 -10.778 1.00 0.00 O ATOM 133 CB MET A 11 -7.318 -8.693 -10.130 1.00 0.00 C ATOM 134 CG MET A 11 -7.614 -7.353 -9.481 1.00 0.00 C ATOM 135 SD MET A 11 -8.950 -7.450 -8.273 1.00 0.00 S ATOM 136 CE MET A 11 -10.050 -6.166 -8.870 1.00 0.00 C ATOM 0 H MET A 11 -6.732 -8.991 -12.510 1.00 0.00 H new ATOM 0 HA MET A 11 -8.741 -10.113 -10.843 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.253 -9.451 -9.349 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.338 -8.640 -10.605 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.713 -6.983 -8.992 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.878 -6.630 -10.253 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.350 -5.528 -8.038 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.535 -5.566 -9.620 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.934 -6.622 -9.315 1.00 0.00 H new ATOM 146 N LEU A 12 -9.289 -7.087 -11.994 1.00 0.00 N ATOM 147 CA LEU A 12 -10.326 -6.087 -12.208 1.00 0.00 C ATOM 148 C LEU A 12 -11.561 -6.735 -12.823 1.00 0.00 C ATOM 149 O LEU A 12 -12.646 -6.714 -12.241 1.00 0.00 O ATOM 150 CB LEU A 12 -9.807 -4.964 -13.115 1.00 0.00 C ATOM 151 CG LEU A 12 -10.182 -3.535 -12.699 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.518 -3.132 -13.300 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.218 -3.404 -11.185 1.00 0.00 C ATOM 0 H LEU A 12 -8.393 -6.864 -12.428 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.599 -5.656 -11.245 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.720 -5.034 -13.161 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.181 -5.137 -14.124 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.416 -2.861 -13.082 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.764 -2.116 -12.992 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.456 -3.177 -14.387 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.294 -3.814 -12.952 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.486 -2.383 -10.914 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.958 -4.093 -10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.236 -3.642 -10.776 1.00 0.00 H new ATOM 165 N ALA A 13 -11.379 -7.329 -13.998 1.00 0.00 N ATOM 166 CA ALA A 13 -12.466 -8.008 -14.695 1.00 0.00 C ATOM 167 C ALA A 13 -12.860 -9.316 -13.999 1.00 0.00 C ATOM 168 O ALA A 13 -13.674 -10.081 -14.513 1.00 0.00 O ATOM 169 CB ALA A 13 -12.067 -8.279 -16.130 1.00 0.00 C ATOM 0 H ALA A 13 -10.485 -7.354 -14.489 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.336 -7.352 -14.676 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.883 -8.786 -16.645 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.852 -7.336 -16.632 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.179 -8.910 -16.148 1.00 0.00 H new ATOM 175 N SER A 14 -12.290 -9.554 -12.822 1.00 0.00 N ATOM 176 CA SER A 14 -12.597 -10.755 -12.054 1.00 0.00 C ATOM 177 C SER A 14 -13.594 -10.457 -10.932 1.00 0.00 C ATOM 178 O SER A 14 -13.881 -11.323 -10.106 1.00 0.00 O ATOM 179 CB SER A 14 -11.321 -11.364 -11.467 1.00 0.00 C ATOM 180 OG SER A 14 -11.600 -12.569 -10.773 1.00 0.00 O ATOM 0 H SER A 14 -11.614 -8.932 -12.380 1.00 0.00 H new ATOM 0 HA SER A 14 -13.051 -11.473 -12.737 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.607 -11.559 -12.267 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.853 -10.651 -10.789 1.00 0.00 H new ATOM 0 HG SER A 14 -12.473 -12.499 -10.333 1.00 0.00 H new ATOM 186 N ALA A 15 -14.130 -9.236 -10.909 1.00 0.00 N ATOM 187 CA ALA A 15 -15.096 -8.855 -9.892 1.00 0.00 C ATOM 188 C ALA A 15 -16.311 -8.159 -10.513 1.00 0.00 C ATOM 189 O ALA A 15 -16.195 -7.496 -11.544 1.00 0.00 O ATOM 190 CB ALA A 15 -14.430 -7.963 -8.864 1.00 0.00 C ATOM 0 H ALA A 15 -13.910 -8.501 -11.581 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.456 -9.758 -9.399 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.157 -7.679 -8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.605 -8.500 -8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.048 -7.067 -9.353 1.00 0.00 H new ATOM 196 N PRO A 16 -17.500 -8.323 -9.896 1.00 0.00 N ATOM 197 CA PRO A 16 -18.752 -7.732 -10.383 1.00 0.00 C ATOM 198 C PRO A 16 -18.601 -6.279 -10.838 1.00 0.00 C ATOM 199 O PRO A 16 -17.523 -5.692 -10.746 1.00 0.00 O ATOM 200 CB PRO A 16 -19.700 -7.815 -9.176 1.00 0.00 C ATOM 201 CG PRO A 16 -18.937 -8.479 -8.071 1.00 0.00 C ATOM 202 CD PRO A 16 -17.723 -9.118 -8.687 1.00 0.00 C ATOM 0 HA PRO A 16 -19.112 -8.262 -11.265 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -20.030 -6.821 -8.875 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.594 -8.386 -9.425 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.646 -7.751 -7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.554 -9.227 -7.573 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.864 -9.080 -8.016 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.897 -10.168 -8.922 1.00 0.00 H new ATOM 210 N PRO A 17 -19.699 -5.681 -11.343 1.00 0.00 N ATOM 211 CA PRO A 17 -19.698 -4.295 -11.824 1.00 0.00 C ATOM 212 C PRO A 17 -19.067 -3.324 -10.826 1.00 0.00 C ATOM 213 O PRO A 17 -17.916 -2.930 -10.988 1.00 0.00 O ATOM 214 CB PRO A 17 -21.185 -3.987 -12.039 1.00 0.00 C ATOM 215 CG PRO A 17 -21.821 -5.312 -12.276 1.00 0.00 C ATOM 216 CD PRO A 17 -21.023 -6.315 -11.486 1.00 0.00 C ATOM 0 HA PRO A 17 -19.099 -4.178 -12.727 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.616 -3.492 -11.168 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.331 -3.321 -12.889 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.863 -5.305 -11.955 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.816 -5.561 -13.337 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.478 -6.513 -10.516 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.954 -7.270 -12.006 1.00 0.00 H new ATOM 224 N GLN A 18 -19.825 -2.932 -9.803 1.00 0.00 N ATOM 225 CA GLN A 18 -19.334 -1.996 -8.795 1.00 0.00 C ATOM 226 C GLN A 18 -18.041 -2.478 -8.153 1.00 0.00 C ATOM 227 O GLN A 18 -17.279 -1.684 -7.606 1.00 0.00 O ATOM 228 CB GLN A 18 -20.399 -1.782 -7.722 1.00 0.00 C ATOM 229 CG GLN A 18 -21.025 -3.077 -7.232 1.00 0.00 C ATOM 230 CD GLN A 18 -22.523 -3.126 -7.459 1.00 0.00 C ATOM 231 OE1 GLN A 18 -22.994 -3.674 -8.456 1.00 0.00 O ATOM 232 NE2 GLN A 18 -23.280 -2.551 -6.533 1.00 0.00 N ATOM 0 H GLN A 18 -20.783 -3.249 -9.651 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.121 -1.052 -9.297 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.953 -1.259 -6.876 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.181 -1.136 -8.120 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.557 -3.918 -7.743 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.819 -3.196 -6.168 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -22.847 -2.108 -5.723 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -24.295 -2.552 -6.632 1.00 0.00 H new ATOM 241 N GLU A 19 -17.781 -3.775 -8.230 1.00 0.00 N ATOM 242 CA GLU A 19 -16.564 -4.334 -7.663 1.00 0.00 C ATOM 243 C GLU A 19 -15.412 -4.182 -8.650 1.00 0.00 C ATOM 244 O GLU A 19 -14.541 -5.043 -8.750 1.00 0.00 O ATOM 245 CB GLU A 19 -16.778 -5.809 -7.312 1.00 0.00 C ATOM 246 CG GLU A 19 -17.063 -6.048 -5.839 1.00 0.00 C ATOM 247 CD GLU A 19 -15.830 -6.473 -5.068 1.00 0.00 C ATOM 248 OE1 GLU A 19 -14.708 -6.214 -5.555 1.00 0.00 O ATOM 249 OE2 GLU A 19 -15.983 -7.065 -3.981 1.00 0.00 O ATOM 0 H GLU A 19 -18.394 -4.457 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.314 -3.793 -6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.608 -6.198 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.891 -6.374 -7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.466 -5.136 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.831 -6.816 -5.741 1.00 0.00 H new ATOM 256 N GLN A 20 -15.395 -3.047 -9.341 1.00 0.00 N ATOM 257 CA GLN A 20 -14.328 -2.739 -10.284 1.00 0.00 C ATOM 258 C GLN A 20 -13.033 -2.455 -9.527 1.00 0.00 C ATOM 259 O GLN A 20 -12.217 -3.343 -9.292 1.00 0.00 O ATOM 260 CB GLN A 20 -14.684 -1.552 -11.213 1.00 0.00 C ATOM 261 CG GLN A 20 -15.901 -0.736 -10.791 1.00 0.00 C ATOM 262 CD GLN A 20 -16.413 0.163 -11.899 1.00 0.00 C ATOM 263 OE1 GLN A 20 -15.532 0.994 -12.443 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -17.589 0.113 -12.261 1.00 0.00 N flip ATOM 0 H GLN A 20 -16.110 -2.324 -9.265 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.194 -3.611 -10.924 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.823 -0.886 -11.270 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.856 -1.938 -12.218 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.697 -1.412 -10.480 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.643 -0.127 -9.924 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.232 -0.541 -11.815 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -17.920 0.726 -13.007 1.00 0.00 H new ATOM 273 N LYS A 21 -12.877 -1.192 -9.143 1.00 0.00 N ATOM 274 CA LYS A 21 -11.710 -0.720 -8.401 1.00 0.00 C ATOM 275 C LYS A 21 -11.800 -1.059 -6.914 1.00 0.00 C ATOM 276 O LYS A 21 -11.087 -0.479 -6.096 1.00 0.00 O ATOM 277 CB LYS A 21 -11.572 0.790 -8.585 1.00 0.00 C ATOM 278 CG LYS A 21 -12.018 1.260 -9.961 1.00 0.00 C ATOM 279 CD LYS A 21 -10.848 1.734 -10.808 1.00 0.00 C ATOM 280 CE LYS A 21 -10.771 0.969 -12.119 1.00 0.00 C ATOM 281 NZ LYS A 21 -11.932 1.272 -12.998 1.00 0.00 N ATOM 0 H LYS A 21 -13.561 -0.461 -9.339 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.831 -1.229 -8.796 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.162 1.300 -7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.532 1.077 -8.428 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.530 0.446 -10.474 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.738 2.071 -9.851 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.952 2.800 -11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.919 1.604 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.846 1.224 -12.636 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.738 -0.101 -11.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.773 0.857 -13.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.796 0.869 -12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.039 2.302 -13.088 1.00 0.00 H new ATOM 295 N GLN A 22 -12.679 -1.992 -6.568 1.00 0.00 N ATOM 296 CA GLN A 22 -12.865 -2.391 -5.171 1.00 0.00 C ATOM 297 C GLN A 22 -11.614 -3.028 -4.579 1.00 0.00 C ATOM 298 O GLN A 22 -11.020 -2.491 -3.645 1.00 0.00 O ATOM 299 CB GLN A 22 -14.040 -3.364 -5.048 1.00 0.00 C ATOM 300 CG GLN A 22 -15.016 -3.004 -3.939 1.00 0.00 C ATOM 301 CD GLN A 22 -14.532 -3.438 -2.568 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.714 -4.349 -2.443 1.00 0.00 O ATOM 303 NE2 GLN A 22 -15.038 -2.782 -1.528 1.00 0.00 N ATOM 0 H GLN A 22 -13.275 -2.488 -7.231 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.075 -1.482 -4.607 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.576 -3.395 -5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.653 -4.367 -4.868 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.177 -1.926 -3.938 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.980 -3.470 -4.144 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -15.714 -2.033 -1.677 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.750 -3.028 -0.581 1.00 0.00 H new ATOM 312 N MET A 23 -11.225 -4.182 -5.108 1.00 0.00 N ATOM 313 CA MET A 23 -10.056 -4.888 -4.605 1.00 0.00 C ATOM 314 C MET A 23 -8.823 -3.986 -4.603 1.00 0.00 C ATOM 315 O MET A 23 -8.557 -3.306 -3.621 1.00 0.00 O ATOM 316 CB MET A 23 -9.806 -6.152 -5.429 1.00 0.00 C ATOM 317 CG MET A 23 -11.040 -7.029 -5.593 1.00 0.00 C ATOM 318 SD MET A 23 -10.799 -8.698 -4.952 1.00 0.00 S ATOM 319 CE MET A 23 -11.809 -8.645 -3.472 1.00 0.00 C ATOM 0 H MET A 23 -11.701 -4.646 -5.882 1.00 0.00 H new ATOM 0 HA MET A 23 -10.252 -5.179 -3.573 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.441 -5.866 -6.415 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.017 -6.735 -4.954 1.00 0.00 H new ATOM 0 HG2 MET A 23 -11.881 -6.565 -5.079 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.303 -7.084 -6.649 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.762 -9.608 -2.965 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.438 -7.866 -2.806 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.842 -8.429 -3.744 1.00 0.00 H new ATOM 329 N LEU A 24 -8.072 -3.986 -5.701 1.00 0.00 N ATOM 330 CA LEU A 24 -6.856 -3.170 -5.817 1.00 0.00 C ATOM 331 C LEU A 24 -7.154 -1.672 -5.738 1.00 0.00 C ATOM 332 O LEU A 24 -6.769 -0.922 -6.636 1.00 0.00 O ATOM 333 CB LEU A 24 -6.118 -3.466 -7.135 1.00 0.00 C ATOM 334 CG LEU A 24 -6.957 -4.058 -8.263 1.00 0.00 C ATOM 335 CD1 LEU A 24 -7.975 -3.040 -8.756 1.00 0.00 C ATOM 336 CD2 LEU A 24 -6.045 -4.515 -9.390 1.00 0.00 C ATOM 0 H LEU A 24 -8.281 -4.543 -6.529 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.223 -3.440 -4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.671 -2.538 -7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.299 -4.153 -6.921 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.507 -4.922 -7.891 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.566 -3.477 -9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.633 -2.757 -7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.456 -2.156 -9.126 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.646 -4.938 -10.195 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.479 -3.664 -9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.355 -5.272 -9.016 1.00 0.00 H new ATOM 348 N GLY A 25 -7.833 -1.231 -4.672 1.00 0.00 N ATOM 349 CA GLY A 25 -8.160 0.180 -4.533 1.00 0.00 C ATOM 350 C GLY A 25 -8.308 0.874 -5.874 1.00 0.00 C ATOM 351 O GLY A 25 -8.823 0.287 -6.825 1.00 0.00 O ATOM 0 H GLY A 25 -8.159 -1.824 -3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.088 0.281 -3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.380 0.676 -3.954 1.00 0.00 H new ATOM 355 N GLU A 26 -7.840 2.111 -5.965 1.00 0.00 N ATOM 356 CA GLU A 26 -7.913 2.837 -7.219 1.00 0.00 C ATOM 357 C GLU A 26 -6.865 2.300 -8.194 1.00 0.00 C ATOM 358 O GLU A 26 -7.160 1.450 -9.034 1.00 0.00 O ATOM 359 CB GLU A 26 -7.770 4.361 -7.021 1.00 0.00 C ATOM 360 CG GLU A 26 -7.744 4.822 -5.567 1.00 0.00 C ATOM 361 CD GLU A 26 -8.346 6.200 -5.372 1.00 0.00 C ATOM 362 OE1 GLU A 26 -7.751 7.183 -5.858 1.00 0.00 O ATOM 363 OE2 GLU A 26 -9.410 6.297 -4.727 1.00 0.00 O ATOM 0 H GLU A 26 -7.412 2.625 -5.195 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.904 2.675 -7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.852 4.691 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.597 4.858 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.288 4.104 -4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.714 4.828 -5.212 1.00 0.00 H new ATOM 370 N ARG A 27 -5.645 2.809 -8.077 1.00 0.00 N ATOM 371 CA ARG A 27 -4.551 2.391 -8.954 1.00 0.00 C ATOM 372 C ARG A 27 -3.228 2.259 -8.197 1.00 0.00 C ATOM 373 O ARG A 27 -2.162 2.127 -8.806 1.00 0.00 O ATOM 374 CB ARG A 27 -4.392 3.390 -10.103 1.00 0.00 C ATOM 375 CG ARG A 27 -4.101 2.736 -11.441 1.00 0.00 C ATOM 376 CD ARG A 27 -5.212 1.784 -11.849 1.00 0.00 C ATOM 377 NE ARG A 27 -5.708 2.067 -13.194 1.00 0.00 N ATOM 378 CZ ARG A 27 -6.757 1.457 -13.736 1.00 0.00 C ATOM 379 NH1 ARG A 27 -7.422 0.535 -13.050 1.00 0.00 N ATOM 380 NH2 ARG A 27 -7.143 1.766 -14.966 1.00 0.00 N ATOM 0 H ARG A 27 -5.385 3.512 -7.385 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.806 1.408 -9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.304 3.981 -10.188 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.584 4.082 -9.863 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.981 3.505 -12.204 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.158 2.193 -11.384 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.845 0.759 -11.806 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.033 1.859 -11.136 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.222 2.772 -13.748 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.128 0.293 -12.104 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.227 0.069 -13.469 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.635 2.473 -15.498 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.948 1.297 -15.381 1.00 0.00 H new ATOM 394 N LEU A 28 -3.290 2.304 -6.872 1.00 0.00 N ATOM 395 CA LEU A 28 -2.085 2.203 -6.058 1.00 0.00 C ATOM 396 C LEU A 28 -1.570 0.771 -5.972 1.00 0.00 C ATOM 397 O LEU A 28 -0.369 0.537 -6.090 1.00 0.00 O ATOM 398 CB LEU A 28 -2.350 2.755 -4.659 1.00 0.00 C ATOM 399 CG LEU A 28 -2.226 4.273 -4.548 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.101 4.812 -3.434 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.774 4.682 -4.352 1.00 0.00 C ATOM 0 H LEU A 28 -4.155 2.409 -6.341 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.311 2.798 -6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.353 2.461 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.652 2.293 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.576 4.710 -5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.993 5.895 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.142 4.561 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.798 4.368 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.709 5.767 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.389 4.230 -3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.182 4.342 -5.202 1.00 0.00 H new ATOM 413 N PHE A 29 -2.474 -0.184 -5.768 1.00 0.00 N ATOM 414 CA PHE A 29 -2.086 -1.593 -5.667 1.00 0.00 C ATOM 415 C PHE A 29 -1.166 -1.992 -6.819 1.00 0.00 C ATOM 416 O PHE A 29 -0.103 -2.565 -6.596 1.00 0.00 O ATOM 417 CB PHE A 29 -3.330 -2.489 -5.643 1.00 0.00 C ATOM 418 CG PHE A 29 -3.157 -3.811 -4.929 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.267 -3.969 -3.874 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.909 -4.905 -5.320 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.147 -5.199 -3.238 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.795 -6.121 -4.692 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.912 -6.272 -3.648 1.00 0.00 C ATOM 0 H PHE A 29 -3.475 -0.012 -5.670 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.539 -1.727 -4.734 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.144 -1.941 -5.168 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.636 -2.686 -6.670 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.666 -3.133 -3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.604 -4.800 -6.140 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.452 -5.316 -2.419 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.397 -6.957 -5.017 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.818 -7.226 -3.151 1.00 0.00 H new ATOM 433 N PRO A 30 -1.552 -1.681 -8.071 1.00 0.00 N ATOM 434 CA PRO A 30 -0.737 -2.004 -9.243 1.00 0.00 C ATOM 435 C PRO A 30 0.653 -1.381 -9.164 1.00 0.00 C ATOM 436 O PRO A 30 1.656 -2.034 -9.449 1.00 0.00 O ATOM 437 CB PRO A 30 -1.513 -1.397 -10.419 1.00 0.00 C ATOM 438 CG PRO A 30 -2.899 -1.178 -9.917 1.00 0.00 C ATOM 439 CD PRO A 30 -2.793 -0.978 -8.431 1.00 0.00 C ATOM 0 HA PRO A 30 -0.578 -3.079 -9.333 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.062 -0.460 -10.744 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.509 -2.067 -11.278 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.350 -0.308 -10.393 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.534 -2.033 -10.148 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.743 0.080 -8.172 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.655 -1.394 -7.909 1.00 0.00 H new ATOM 447 N LEU A 31 0.700 -0.107 -8.786 1.00 0.00 N ATOM 448 CA LEU A 31 1.965 0.617 -8.687 1.00 0.00 C ATOM 449 C LEU A 31 2.791 0.145 -7.495 1.00 0.00 C ATOM 450 O LEU A 31 3.995 -0.137 -7.610 1.00 0.00 O ATOM 451 CB LEU A 31 1.692 2.113 -8.579 1.00 0.00 C ATOM 452 CG LEU A 31 0.656 2.636 -9.572 1.00 0.00 C ATOM 453 CD1 LEU A 31 0.031 3.932 -9.080 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.298 2.828 -10.933 1.00 0.00 C ATOM 0 H LEU A 31 -0.122 0.446 -8.543 1.00 0.00 H new ATOM 0 HA LEU A 31 2.543 0.415 -9.588 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.354 2.337 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.627 2.653 -8.729 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.143 1.900 -9.661 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.703 4.281 -9.807 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.461 3.758 -8.123 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.808 4.687 -8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.554 3.201 -11.637 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.114 3.546 -10.852 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.688 1.875 -11.289 1.00 0.00 H new ATOM 466 N ILE A 32 2.146 0.034 -6.351 1.00 0.00 N ATOM 467 CA ILE A 32 2.845 -0.420 -5.173 1.00 0.00 C ATOM 468 C ILE A 32 3.245 -1.872 -5.349 1.00 0.00 C ATOM 469 O ILE A 32 4.345 -2.262 -4.973 1.00 0.00 O ATOM 470 CB ILE A 32 2.025 -0.237 -3.890 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.937 -0.465 -2.679 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.819 -1.165 -3.889 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.153 -1.920 -2.331 1.00 0.00 C ATOM 0 H ILE A 32 1.158 0.248 -6.215 1.00 0.00 H new ATOM 0 HA ILE A 32 3.736 0.198 -5.060 1.00 0.00 H new ATOM 0 HB ILE A 32 1.635 0.779 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.904 -0.002 -2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.509 0.044 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.250 -1.021 -2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.186 -0.940 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.156 -2.200 -3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.809 -1.993 -1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.194 -2.385 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.611 -2.432 -3.177 1.00 0.00 H new ATOM 485 N GLN A 33 2.371 -2.666 -5.971 1.00 0.00 N ATOM 486 CA GLN A 33 2.688 -4.063 -6.233 1.00 0.00 C ATOM 487 C GLN A 33 4.098 -4.152 -6.817 1.00 0.00 C ATOM 488 O GLN A 33 4.882 -5.033 -6.466 1.00 0.00 O ATOM 489 CB GLN A 33 1.693 -4.683 -7.214 1.00 0.00 C ATOM 490 CG GLN A 33 1.808 -6.195 -7.305 1.00 0.00 C ATOM 491 CD GLN A 33 2.407 -6.662 -8.618 1.00 0.00 C ATOM 492 OE1 GLN A 33 1.688 -6.994 -9.560 1.00 0.00 O ATOM 493 NE2 GLN A 33 3.734 -6.689 -8.688 1.00 0.00 N ATOM 0 H GLN A 33 1.452 -2.367 -6.297 1.00 0.00 H new ATOM 0 HA GLN A 33 2.628 -4.614 -5.294 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.680 -4.419 -6.910 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.851 -4.253 -8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.423 -6.558 -6.481 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.819 -6.638 -7.184 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.293 -6.405 -7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.193 -6.993 -9.546 1.00 0.00 H new ATOM 502 N ALA A 34 4.400 -3.211 -7.713 1.00 0.00 N ATOM 503 CA ALA A 34 5.703 -3.143 -8.366 1.00 0.00 C ATOM 504 C ALA A 34 6.825 -3.047 -7.349 1.00 0.00 C ATOM 505 O ALA A 34 7.906 -3.602 -7.541 1.00 0.00 O ATOM 506 CB ALA A 34 5.757 -1.960 -9.321 1.00 0.00 C ATOM 0 H ALA A 34 3.751 -2.480 -8.003 1.00 0.00 H new ATOM 0 HA ALA A 34 5.840 -4.063 -8.934 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.735 -1.923 -9.800 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.984 -2.071 -10.082 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.590 -1.037 -8.766 1.00 0.00 H new ATOM 512 N MET A 35 6.563 -2.331 -6.274 1.00 0.00 N ATOM 513 CA MET A 35 7.568 -2.150 -5.219 1.00 0.00 C ATOM 514 C MET A 35 7.349 -3.106 -4.045 1.00 0.00 C ATOM 515 O MET A 35 8.269 -3.818 -3.637 1.00 0.00 O ATOM 516 CB MET A 35 7.553 -0.708 -4.716 1.00 0.00 C ATOM 517 CG MET A 35 8.463 0.206 -5.510 1.00 0.00 C ATOM 518 SD MET A 35 8.559 1.867 -4.818 1.00 0.00 S ATOM 519 CE MET A 35 8.909 2.820 -6.290 1.00 0.00 C ATOM 0 H MET A 35 5.673 -1.864 -6.099 1.00 0.00 H new ATOM 0 HA MET A 35 8.540 -2.377 -5.658 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.534 -0.324 -4.760 1.00 0.00 H new ATOM 0 HB3 MET A 35 7.855 -0.691 -3.669 1.00 0.00 H new ATOM 0 HG2 MET A 35 9.463 -0.226 -5.546 1.00 0.00 H new ATOM 0 HG3 MET A 35 8.104 0.265 -6.538 1.00 0.00 H new ATOM 0 HE1 MET A 35 8.333 3.745 -6.270 1.00 0.00 H new ATOM 0 HE2 MET A 35 9.973 3.056 -6.326 1.00 0.00 H new ATOM 0 HE3 MET A 35 8.635 2.241 -7.172 1.00 0.00 H new ATOM 529 N HIS A 36 6.133 -3.134 -3.519 1.00 0.00 N ATOM 530 CA HIS A 36 5.796 -4.021 -2.409 1.00 0.00 C ATOM 531 C HIS A 36 6.678 -3.786 -1.186 1.00 0.00 C ATOM 532 O HIS A 36 7.206 -4.737 -0.610 1.00 0.00 O ATOM 533 CB HIS A 36 5.912 -5.482 -2.845 1.00 0.00 C ATOM 534 CG HIS A 36 4.621 -6.063 -3.314 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.399 -5.505 -3.419 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.484 -7.367 -3.737 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.548 -6.472 -3.899 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.228 -7.587 -4.084 1.00 0.00 N flip ATOM 0 H HIS A 36 5.360 -2.552 -3.842 1.00 0.00 H new ATOM 0 HA HIS A 36 4.768 -3.795 -2.126 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.648 -5.558 -3.645 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.287 -6.074 -2.010 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.280 -8.096 -3.779 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.494 -6.340 -4.093 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.850 -8.467 -4.434 1.00 0.00 H new ATOM 546 N PRO A 37 6.840 -2.532 -0.740 1.00 0.00 N ATOM 547 CA PRO A 37 7.644 -2.252 0.437 1.00 0.00 C ATOM 548 C PRO A 37 7.027 -2.907 1.668 1.00 0.00 C ATOM 549 O PRO A 37 7.551 -3.892 2.187 1.00 0.00 O ATOM 550 CB PRO A 37 7.629 -0.725 0.560 1.00 0.00 C ATOM 551 CG PRO A 37 6.485 -0.259 -0.276 1.00 0.00 C ATOM 552 CD PRO A 37 6.242 -1.316 -1.317 1.00 0.00 C ATOM 0 HA PRO A 37 8.658 -2.644 0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.505 -0.418 1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.568 -0.296 0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.596 -0.109 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.714 0.698 -0.744 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.177 -1.448 -1.510 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.708 -1.055 -2.267 1.00 0.00 H new ATOM 560 N THR A 38 5.924 -2.338 2.142 1.00 0.00 N ATOM 561 CA THR A 38 5.246 -2.854 3.327 1.00 0.00 C ATOM 562 C THR A 38 4.110 -3.807 2.962 1.00 0.00 C ATOM 563 O THR A 38 4.114 -4.971 3.361 1.00 0.00 O ATOM 564 CB THR A 38 4.701 -1.696 4.172 1.00 0.00 C ATOM 565 OG1 THR A 38 3.495 -1.192 3.623 1.00 0.00 O ATOM 566 CG2 THR A 38 5.666 -0.536 4.298 1.00 0.00 C ATOM 0 H THR A 38 5.480 -1.520 1.725 1.00 0.00 H new ATOM 0 HA THR A 38 5.980 -3.415 3.905 1.00 0.00 H new ATOM 0 HB THR A 38 4.537 -2.121 5.162 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.165 -0.456 4.179 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.216 0.247 4.908 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.587 -0.879 4.769 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.890 -0.140 3.308 1.00 0.00 H new ATOM 574 N LEU A 39 3.131 -3.307 2.213 1.00 0.00 N ATOM 575 CA LEU A 39 1.986 -4.118 1.814 1.00 0.00 C ATOM 576 C LEU A 39 1.164 -3.410 0.742 1.00 0.00 C ATOM 577 O LEU A 39 0.465 -2.441 1.028 1.00 0.00 O ATOM 578 CB LEU A 39 1.105 -4.412 3.029 1.00 0.00 C ATOM 579 CG LEU A 39 0.382 -5.760 2.999 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.359 -6.898 3.264 1.00 0.00 C ATOM 581 CD2 LEU A 39 -0.755 -5.774 4.011 1.00 0.00 C ATOM 0 H LEU A 39 3.108 -2.346 1.871 1.00 0.00 H new ATOM 0 HA LEU A 39 2.360 -5.055 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.724 -4.370 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.361 -3.621 3.118 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.043 -5.904 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.826 -7.848 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.135 -6.897 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.816 -6.764 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.260 -6.739 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.354 -5.608 5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.466 -4.984 3.770 1.00 0.00 H new ATOM 593 N ALA A 40 1.233 -3.910 -0.487 1.00 0.00 N ATOM 594 CA ALA A 40 0.486 -3.334 -1.603 1.00 0.00 C ATOM 595 C ALA A 40 -0.982 -3.096 -1.253 1.00 0.00 C ATOM 596 O ALA A 40 -1.510 -2.012 -1.499 1.00 0.00 O ATOM 597 CB ALA A 40 0.649 -4.226 -2.833 1.00 0.00 C ATOM 0 H ALA A 40 1.802 -4.718 -0.738 1.00 0.00 H new ATOM 0 HA ALA A 40 0.897 -2.350 -1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.093 -3.800 -3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.705 -4.293 -3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.266 -5.222 -2.613 1.00 0.00 H new ATOM 603 N GLY A 41 -1.646 -4.100 -0.697 1.00 0.00 N ATOM 604 CA GLY A 41 -3.050 -3.952 -0.352 1.00 0.00 C ATOM 605 C GLY A 41 -3.312 -2.810 0.621 1.00 0.00 C ATOM 606 O GLY A 41 -3.988 -1.840 0.278 1.00 0.00 O ATOM 0 H GLY A 41 -1.242 -5.011 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.625 -3.784 -1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.410 -4.883 0.085 1.00 0.00 H new ATOM 610 N LYS A 42 -2.793 -2.942 1.835 1.00 0.00 N ATOM 611 CA LYS A 42 -2.990 -1.927 2.872 1.00 0.00 C ATOM 612 C LYS A 42 -2.390 -0.576 2.476 1.00 0.00 C ATOM 613 O LYS A 42 -2.974 0.475 2.754 1.00 0.00 O ATOM 614 CB LYS A 42 -2.385 -2.403 4.192 1.00 0.00 C ATOM 615 CG LYS A 42 -3.422 -2.650 5.278 1.00 0.00 C ATOM 616 CD LYS A 42 -2.858 -2.373 6.661 1.00 0.00 C ATOM 617 CE LYS A 42 -3.961 -2.065 7.661 1.00 0.00 C ATOM 618 NZ LYS A 42 -4.419 -0.653 7.561 1.00 0.00 N ATOM 0 H LYS A 42 -2.232 -3.741 2.130 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.064 -1.785 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.827 -3.323 4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.670 -1.659 4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.290 -2.015 5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.767 -3.683 5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.287 -3.237 7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.166 -1.533 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.804 -2.734 7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.601 -2.260 8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.031 -0.428 8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.594 -0.020 7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.953 -0.523 6.678 1.00 0.00 H new ATOM 632 N ILE A 43 -1.229 -0.603 1.833 1.00 0.00 N ATOM 633 CA ILE A 43 -0.568 0.630 1.412 1.00 0.00 C ATOM 634 C ILE A 43 -1.496 1.468 0.546 1.00 0.00 C ATOM 635 O ILE A 43 -1.527 2.696 0.641 1.00 0.00 O ATOM 636 CB ILE A 43 0.741 0.342 0.643 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.734 1.471 0.869 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.507 0.133 -0.850 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.163 0.994 0.921 1.00 0.00 C ATOM 0 H ILE A 43 -0.727 -1.458 1.592 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.318 1.186 2.316 1.00 0.00 H new ATOM 0 HB ILE A 43 1.150 -0.590 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.630 2.205 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.492 1.980 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.459 -0.066 -1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.163 -0.714 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.058 1.030 -1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.825 1.845 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.279 0.282 1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.420 0.510 -0.022 1.00 0.00 H new ATOM 651 N THR A 44 -2.245 0.780 -0.299 1.00 0.00 N ATOM 652 CA THR A 44 -3.180 1.423 -1.201 1.00 0.00 C ATOM 653 C THR A 44 -4.099 2.363 -0.433 1.00 0.00 C ATOM 654 O THR A 44 -4.294 3.509 -0.825 1.00 0.00 O ATOM 655 CB THR A 44 -3.994 0.360 -1.942 1.00 0.00 C ATOM 656 OG1 THR A 44 -3.147 -0.451 -2.738 1.00 0.00 O ATOM 657 CG2 THR A 44 -5.058 0.932 -2.850 1.00 0.00 C ATOM 0 H THR A 44 -2.221 -0.237 -0.378 1.00 0.00 H new ATOM 0 HA THR A 44 -2.624 2.013 -1.929 1.00 0.00 H new ATOM 0 HB THR A 44 -4.485 -0.218 -1.159 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.828 -1.210 -2.207 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.593 0.119 -3.341 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.759 1.524 -2.261 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.591 1.566 -3.604 1.00 0.00 H new ATOM 665 N GLY A 45 -4.649 1.874 0.668 1.00 0.00 N ATOM 666 CA GLY A 45 -5.538 2.689 1.474 1.00 0.00 C ATOM 667 C GLY A 45 -4.896 3.977 1.933 1.00 0.00 C ATOM 668 O GLY A 45 -5.549 5.016 2.006 1.00 0.00 O ATOM 0 H GLY A 45 -4.497 0.928 1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.434 2.920 0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.858 2.117 2.345 1.00 0.00 H new ATOM 672 N MET A 46 -3.611 3.908 2.247 1.00 0.00 N ATOM 673 CA MET A 46 -2.882 5.076 2.710 1.00 0.00 C ATOM 674 C MET A 46 -2.685 6.083 1.595 1.00 0.00 C ATOM 675 O MET A 46 -3.148 7.218 1.685 1.00 0.00 O ATOM 676 CB MET A 46 -1.531 4.665 3.278 1.00 0.00 C ATOM 677 CG MET A 46 -1.600 3.455 4.191 1.00 0.00 C ATOM 678 SD MET A 46 -2.901 3.594 5.433 1.00 0.00 S ATOM 679 CE MET A 46 -2.856 1.954 6.143 1.00 0.00 C ATOM 0 H MET A 46 -3.053 3.056 2.189 1.00 0.00 H new ATOM 0 HA MET A 46 -3.475 5.547 3.494 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.850 4.450 2.455 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.108 5.504 3.831 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.770 2.561 3.591 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.639 3.326 4.690 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.808 1.454 5.965 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.053 1.380 5.681 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.680 2.027 7.216 1.00 0.00 H new ATOM 689 N LEU A 47 -1.979 5.678 0.547 1.00 0.00 N ATOM 690 CA LEU A 47 -1.717 6.568 -0.555 1.00 0.00 C ATOM 691 C LEU A 47 -3.025 7.064 -1.159 1.00 0.00 C ATOM 692 O LEU A 47 -3.046 8.093 -1.836 1.00 0.00 O ATOM 693 CB LEU A 47 -0.885 5.860 -1.621 1.00 0.00 C ATOM 694 CG LEU A 47 0.552 5.492 -1.242 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.521 6.594 -1.660 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.699 5.186 0.239 1.00 0.00 C ATOM 0 H LEU A 47 -1.584 4.743 0.445 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.156 7.425 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.406 4.946 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.851 6.497 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 47 0.800 4.580 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.536 6.311 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.468 6.735 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.253 7.524 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.736 4.931 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.411 6.061 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.056 4.346 0.503 1.00 0.00 H new ATOM 708 N LEU A 48 -4.115 6.314 -0.951 1.00 0.00 N ATOM 709 CA LEU A 48 -5.425 6.673 -1.514 1.00 0.00 C ATOM 710 C LEU A 48 -5.939 8.034 -1.021 1.00 0.00 C ATOM 711 O LEU A 48 -7.140 8.296 -1.067 1.00 0.00 O ATOM 712 CB LEU A 48 -6.456 5.580 -1.180 1.00 0.00 C ATOM 713 CG LEU A 48 -7.128 4.906 -2.388 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.200 3.880 -3.026 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.436 4.243 -1.979 1.00 0.00 C ATOM 0 H LEU A 48 -4.117 5.457 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.292 6.753 -2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.963 4.811 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.233 6.018 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.344 5.682 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.699 3.418 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.289 4.374 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.947 3.113 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.893 3.773 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.238 3.486 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.114 4.995 -1.574 1.00 0.00 H new ATOM 727 N GLU A 49 -5.036 8.899 -0.568 1.00 0.00 N ATOM 728 CA GLU A 49 -5.417 10.226 -0.095 1.00 0.00 C ATOM 729 C GLU A 49 -5.756 11.146 -1.264 1.00 0.00 C ATOM 730 O GLU A 49 -6.197 12.280 -1.062 1.00 0.00 O ATOM 731 CB GLU A 49 -4.282 10.845 0.721 1.00 0.00 C ATOM 732 CG GLU A 49 -2.946 10.874 -0.010 1.00 0.00 C ATOM 733 CD GLU A 49 -2.739 12.149 -0.808 1.00 0.00 C ATOM 734 OE1 GLU A 49 -3.653 13.000 -0.820 1.00 0.00 O ATOM 735 OE2 GLU A 49 -1.660 12.294 -1.423 1.00 0.00 O ATOM 0 H GLU A 49 -4.036 8.705 -0.519 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.300 10.115 0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.558 11.863 0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.166 10.285 1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.138 10.769 0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.886 10.017 -0.681 1.00 0.00 H new ATOM 742 N ILE A 50 -5.528 10.666 -2.483 1.00 0.00 N ATOM 743 CA ILE A 50 -5.790 11.456 -3.675 1.00 0.00 C ATOM 744 C ILE A 50 -7.017 10.943 -4.441 1.00 0.00 C ATOM 745 O ILE A 50 -7.571 9.893 -4.109 1.00 0.00 O ATOM 746 CB ILE A 50 -4.540 11.486 -4.585 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.477 12.804 -5.354 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.496 10.286 -5.527 1.00 0.00 C ATOM 749 CD1 ILE A 50 -3.167 13.539 -5.179 1.00 0.00 C ATOM 0 H ILE A 50 -5.162 9.732 -2.668 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.014 12.474 -3.357 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.658 11.417 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.635 12.606 -6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.293 13.447 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.603 10.344 -6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.472 9.366 -4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.382 10.290 -6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.191 14.466 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.017 13.768 -4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.348 12.913 -5.535 1.00 0.00 H new ATOM 761 N ASP A 51 -7.420 11.677 -5.480 1.00 0.00 N ATOM 762 CA ASP A 51 -8.553 11.292 -6.314 1.00 0.00 C ATOM 763 C ASP A 51 -8.197 10.132 -7.237 1.00 0.00 C ATOM 764 O ASP A 51 -7.051 10.003 -7.665 1.00 0.00 O ATOM 765 CB ASP A 51 -9.031 12.486 -7.141 1.00 0.00 C ATOM 766 CG ASP A 51 -10.520 12.436 -7.421 1.00 0.00 C ATOM 767 OD1 ASP A 51 -11.310 12.547 -6.460 1.00 0.00 O ATOM 768 OD2 ASP A 51 -10.899 12.285 -8.603 1.00 0.00 O ATOM 0 H ASP A 51 -6.972 12.548 -5.763 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.356 10.965 -5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.794 13.409 -6.612 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.487 12.512 -8.085 1.00 0.00 H new ATOM 773 N ASN A 52 -9.185 9.307 -7.570 1.00 0.00 N ATOM 774 CA ASN A 52 -8.952 8.187 -8.478 1.00 0.00 C ATOM 775 C ASN A 52 -8.325 8.683 -9.781 1.00 0.00 C ATOM 776 O ASN A 52 -7.642 7.935 -10.475 1.00 0.00 O ATOM 777 CB ASN A 52 -10.266 7.457 -8.794 1.00 0.00 C ATOM 778 CG ASN A 52 -10.044 6.170 -9.581 1.00 0.00 C ATOM 779 OD1 ASN A 52 -11.099 5.364 -9.731 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.938 5.903 -10.052 1.00 0.00 N flip ATOM 0 H ASN A 52 -10.143 9.390 -7.230 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.270 7.493 -7.986 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.782 7.225 -7.862 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.918 8.119 -9.363 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.157 6.545 -9.915 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.803 5.040 -10.579 1.00 0.00 H new ATOM 787 N SER A 53 -8.583 9.951 -10.111 1.00 0.00 N ATOM 788 CA SER A 53 -8.072 10.549 -11.347 1.00 0.00 C ATOM 789 C SER A 53 -6.573 10.818 -11.279 1.00 0.00 C ATOM 790 O SER A 53 -5.874 10.750 -12.293 1.00 0.00 O ATOM 791 CB SER A 53 -8.817 11.851 -11.644 1.00 0.00 C ATOM 792 OG SER A 53 -8.754 12.739 -10.542 1.00 0.00 O ATOM 0 H SER A 53 -9.143 10.584 -9.539 1.00 0.00 H new ATOM 0 HA SER A 53 -8.242 9.832 -12.150 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.385 12.328 -12.524 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.859 11.632 -11.879 1.00 0.00 H new ATOM 0 HG SER A 53 -9.527 12.591 -9.958 1.00 0.00 H new ATOM 798 N GLU A 54 -6.083 11.125 -10.090 1.00 0.00 N ATOM 799 CA GLU A 54 -4.670 11.411 -9.906 1.00 0.00 C ATOM 800 C GLU A 54 -3.858 10.127 -9.955 1.00 0.00 C ATOM 801 O GLU A 54 -2.777 10.082 -10.543 1.00 0.00 O ATOM 802 CB GLU A 54 -4.452 12.108 -8.568 1.00 0.00 C ATOM 803 CG GLU A 54 -3.525 13.305 -8.644 1.00 0.00 C ATOM 804 CD GLU A 54 -2.062 12.913 -8.573 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.663 12.285 -7.569 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.315 13.235 -9.519 1.00 0.00 O ATOM 0 H GLU A 54 -6.642 11.183 -9.239 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.339 12.066 -10.712 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.416 12.432 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.044 11.389 -7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.709 13.844 -9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.754 13.990 -7.828 1.00 0.00 H new ATOM 813 N LEU A 55 -4.388 9.087 -9.332 1.00 0.00 N ATOM 814 CA LEU A 55 -3.719 7.799 -9.297 1.00 0.00 C ATOM 815 C LEU A 55 -3.564 7.222 -10.700 1.00 0.00 C ATOM 816 O LEU A 55 -2.603 6.510 -10.987 1.00 0.00 O ATOM 817 CB LEU A 55 -4.489 6.840 -8.398 1.00 0.00 C ATOM 818 CG LEU A 55 -3.676 6.307 -7.229 1.00 0.00 C ATOM 819 CD1 LEU A 55 -4.585 5.667 -6.189 1.00 0.00 C ATOM 820 CD2 LEU A 55 -2.637 5.327 -7.746 1.00 0.00 C ATOM 0 H LEU A 55 -5.283 9.111 -8.842 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.719 7.939 -8.887 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.372 7.349 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.841 6.000 -8.996 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.160 7.132 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.983 5.292 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.291 6.409 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.132 4.841 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.052 4.943 -6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.136 4.500 -8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.976 5.834 -8.449 1.00 0.00 H new ATOM 832 N LEU A 56 -4.503 7.555 -11.577 1.00 0.00 N ATOM 833 CA LEU A 56 -4.446 7.091 -12.954 1.00 0.00 C ATOM 834 C LEU A 56 -3.268 7.742 -13.669 1.00 0.00 C ATOM 835 O LEU A 56 -2.591 7.114 -14.485 1.00 0.00 O ATOM 836 CB LEU A 56 -5.749 7.416 -13.689 1.00 0.00 C ATOM 837 CG LEU A 56 -6.852 6.357 -13.569 1.00 0.00 C ATOM 838 CD1 LEU A 56 -8.186 7.006 -13.238 1.00 0.00 C ATOM 839 CD2 LEU A 56 -6.963 5.548 -14.852 1.00 0.00 C ATOM 0 H LEU A 56 -5.308 8.142 -11.359 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.314 6.009 -12.951 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.134 8.362 -13.310 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.524 7.564 -14.745 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.585 5.681 -12.756 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.955 6.237 -13.157 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.106 7.540 -12.291 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.456 7.707 -14.028 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.751 4.803 -14.745 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.202 6.213 -15.682 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.015 5.048 -15.050 1.00 0.00 H new ATOM 851 N HIS A 57 -3.037 9.016 -13.357 1.00 0.00 N ATOM 852 CA HIS A 57 -1.953 9.780 -13.964 1.00 0.00 C ATOM 853 C HIS A 57 -0.578 9.221 -13.601 1.00 0.00 C ATOM 854 O HIS A 57 0.264 9.019 -14.475 1.00 0.00 O ATOM 855 CB HIS A 57 -2.036 11.248 -13.544 1.00 0.00 C ATOM 856 CG HIS A 57 -3.300 11.925 -13.970 1.00 0.00 C ATOM 857 ND1 HIS A 57 -4.098 12.803 -13.316 1.00 0.00 N flip ATOM 858 CD2 HIS A 57 -3.881 11.734 -15.206 1.00 0.00 C flip ATOM 859 CE1 HIS A 57 -5.133 13.122 -14.163 1.00 0.00 C flip ATOM 860 NE2 HIS A 57 -4.979 12.462 -15.296 1.00 0.00 N flip ATOM 0 H HIS A 57 -3.592 9.542 -12.682 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.072 9.698 -15.044 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.948 11.312 -12.459 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.187 11.786 -13.965 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.497 11.088 -15.982 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.941 13.802 -13.938 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.602 12.507 -16.103 1.00 0.00 H new ATOM 868 N MET A 58 -0.344 8.976 -12.311 1.00 0.00 N ATOM 869 CA MET A 58 0.947 8.450 -11.872 1.00 0.00 C ATOM 870 C MET A 58 1.223 7.093 -12.511 1.00 0.00 C ATOM 871 O MET A 58 2.353 6.800 -12.901 1.00 0.00 O ATOM 872 CB MET A 58 1.023 8.348 -10.342 1.00 0.00 C ATOM 873 CG MET A 58 -0.186 7.693 -9.688 1.00 0.00 C ATOM 874 SD MET A 58 -0.295 8.064 -7.923 1.00 0.00 S ATOM 875 CE MET A 58 1.042 7.062 -7.278 1.00 0.00 C ATOM 0 H MET A 58 -1.020 9.131 -11.563 1.00 0.00 H new ATOM 0 HA MET A 58 1.715 9.151 -12.198 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.915 7.783 -10.073 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.144 9.350 -9.930 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.094 8.033 -10.185 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.131 6.613 -9.827 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.205 7.305 -6.228 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.784 6.007 -7.371 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.953 7.263 -7.842 1.00 0.00 H new ATOM 885 N LEU A 59 0.187 6.269 -12.619 1.00 0.00 N ATOM 886 CA LEU A 59 0.336 4.945 -13.215 1.00 0.00 C ATOM 887 C LEU A 59 0.813 5.063 -14.659 1.00 0.00 C ATOM 888 O LEU A 59 1.488 4.171 -15.173 1.00 0.00 O ATOM 889 CB LEU A 59 -0.987 4.168 -13.147 1.00 0.00 C ATOM 890 CG LEU A 59 -1.116 2.997 -14.135 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.456 1.704 -13.407 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.164 3.309 -15.194 1.00 0.00 C ATOM 0 H LEU A 59 -0.758 6.491 -12.305 1.00 0.00 H new ATOM 0 HA LEU A 59 1.085 4.394 -12.646 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.111 3.783 -12.135 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.807 4.864 -13.325 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.154 2.861 -14.629 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.542 0.892 -14.129 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.668 1.472 -12.691 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.402 1.822 -12.879 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.243 2.470 -15.886 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.128 3.476 -14.714 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.872 4.205 -15.742 1.00 0.00 H new ATOM 904 N GLU A 60 0.478 6.172 -15.300 1.00 0.00 N ATOM 905 CA GLU A 60 0.896 6.403 -16.675 1.00 0.00 C ATOM 906 C GLU A 60 2.283 7.044 -16.716 1.00 0.00 C ATOM 907 O GLU A 60 2.877 7.192 -17.785 1.00 0.00 O ATOM 908 CB GLU A 60 -0.121 7.290 -17.395 1.00 0.00 C ATOM 909 CG GLU A 60 -1.470 6.617 -17.598 1.00 0.00 C ATOM 910 CD GLU A 60 -2.278 7.254 -18.711 1.00 0.00 C ATOM 911 OE1 GLU A 60 -2.125 6.826 -19.874 1.00 0.00 O ATOM 912 OE2 GLU A 60 -3.065 8.178 -18.419 1.00 0.00 O ATOM 0 H GLU A 60 -0.079 6.923 -14.893 1.00 0.00 H new ATOM 0 HA GLU A 60 0.947 5.442 -17.186 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.263 8.207 -16.822 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.282 7.579 -18.365 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.315 5.562 -17.825 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.038 6.663 -16.669 1.00 0.00 H new ATOM 919 N SER A 61 2.794 7.427 -15.545 1.00 0.00 N ATOM 920 CA SER A 61 4.105 8.050 -15.443 1.00 0.00 C ATOM 921 C SER A 61 4.832 7.598 -14.174 1.00 0.00 C ATOM 922 O SER A 61 4.601 8.140 -13.094 1.00 0.00 O ATOM 923 CB SER A 61 3.960 9.573 -15.445 1.00 0.00 C ATOM 924 OG SER A 61 4.008 10.088 -16.764 1.00 0.00 O ATOM 0 H SER A 61 2.313 7.314 -14.652 1.00 0.00 H new ATOM 0 HA SER A 61 4.697 7.741 -16.304 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.016 9.852 -14.976 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.756 10.018 -14.848 1.00 0.00 H new ATOM 0 HG SER A 61 3.912 11.063 -16.738 1.00 0.00 H new ATOM 930 N PRO A 62 5.721 6.594 -14.286 1.00 0.00 N ATOM 931 CA PRO A 62 6.477 6.077 -13.139 1.00 0.00 C ATOM 932 C PRO A 62 7.162 7.184 -12.341 1.00 0.00 C ATOM 933 O PRO A 62 7.368 7.059 -11.133 1.00 0.00 O ATOM 934 CB PRO A 62 7.523 5.168 -13.784 1.00 0.00 C ATOM 935 CG PRO A 62 6.912 4.737 -15.071 1.00 0.00 C ATOM 936 CD PRO A 62 6.062 5.888 -15.537 1.00 0.00 C ATOM 0 HA PRO A 62 5.828 5.570 -12.424 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.460 5.699 -13.950 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.750 4.312 -13.148 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.680 4.498 -15.806 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.310 3.838 -14.935 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.605 6.534 -16.227 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.170 5.542 -16.059 1.00 0.00 H new ATOM 944 N GLU A 63 7.516 8.263 -13.031 1.00 0.00 N ATOM 945 CA GLU A 63 8.187 9.398 -12.402 1.00 0.00 C ATOM 946 C GLU A 63 7.380 9.948 -11.230 1.00 0.00 C ATOM 947 O GLU A 63 7.887 10.066 -10.114 1.00 0.00 O ATOM 948 CB GLU A 63 8.430 10.506 -13.434 1.00 0.00 C ATOM 949 CG GLU A 63 7.210 10.843 -14.275 1.00 0.00 C ATOM 950 CD GLU A 63 7.573 11.411 -15.634 1.00 0.00 C ATOM 951 OE1 GLU A 63 8.726 11.215 -16.070 1.00 0.00 O ATOM 952 OE2 GLU A 63 6.703 12.053 -16.260 1.00 0.00 O ATOM 0 H GLU A 63 7.349 8.377 -14.031 1.00 0.00 H new ATOM 0 HA GLU A 63 9.143 9.045 -12.016 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.761 11.406 -12.915 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.242 10.202 -14.095 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.608 9.944 -14.411 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.592 11.563 -13.739 1.00 0.00 H new ATOM 959 N SER A 64 6.118 10.268 -11.486 1.00 0.00 N ATOM 960 CA SER A 64 5.239 10.799 -10.449 1.00 0.00 C ATOM 961 C SER A 64 4.811 9.679 -9.515 1.00 0.00 C ATOM 962 O SER A 64 4.577 9.895 -8.327 1.00 0.00 O ATOM 963 CB SER A 64 4.006 11.455 -11.078 1.00 0.00 C ATOM 964 OG SER A 64 4.367 12.604 -11.824 1.00 0.00 O ATOM 0 H SER A 64 5.679 10.170 -12.402 1.00 0.00 H new ATOM 0 HA SER A 64 5.782 11.554 -9.880 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.500 10.740 -11.727 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.298 11.732 -10.296 1.00 0.00 H new ATOM 0 HG SER A 64 3.564 13.004 -12.217 1.00 0.00 H new ATOM 970 N LEU A 65 4.704 8.482 -10.073 1.00 0.00 N ATOM 971 CA LEU A 65 4.297 7.316 -9.312 1.00 0.00 C ATOM 972 C LEU A 65 5.230 7.106 -8.128 1.00 0.00 C ATOM 973 O LEU A 65 4.793 7.132 -6.978 1.00 0.00 O ATOM 974 CB LEU A 65 4.283 6.083 -10.222 1.00 0.00 C ATOM 975 CG LEU A 65 4.088 4.716 -9.545 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.431 4.064 -9.247 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.252 4.819 -8.273 1.00 0.00 C ATOM 0 H LEU A 65 4.896 8.295 -11.057 1.00 0.00 H new ATOM 0 HA LEU A 65 3.290 7.474 -8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.488 6.213 -10.956 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.224 6.057 -10.772 1.00 0.00 H new ATOM 0 HG LEU A 65 3.539 4.087 -10.246 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.268 3.098 -8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.980 3.920 -10.178 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.008 4.706 -8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.141 3.830 -7.830 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.749 5.481 -7.564 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.268 5.220 -8.516 1.00 0.00 H new ATOM 989 N ARG A 66 6.511 6.907 -8.399 1.00 0.00 N ATOM 990 CA ARG A 66 7.473 6.700 -7.324 1.00 0.00 C ATOM 991 C ARG A 66 7.444 7.869 -6.347 1.00 0.00 C ATOM 992 O ARG A 66 7.653 7.696 -5.151 1.00 0.00 O ATOM 993 CB ARG A 66 8.883 6.525 -7.889 1.00 0.00 C ATOM 994 CG ARG A 66 9.865 5.920 -6.899 1.00 0.00 C ATOM 995 CD ARG A 66 11.228 6.584 -6.990 1.00 0.00 C ATOM 996 NE ARG A 66 11.373 7.677 -6.032 1.00 0.00 N ATOM 997 CZ ARG A 66 12.254 8.666 -6.163 1.00 0.00 C ATOM 998 NH1 ARG A 66 13.076 8.700 -7.205 1.00 0.00 N ATOM 999 NH2 ARG A 66 12.316 9.623 -5.248 1.00 0.00 N ATOM 0 H ARG A 66 6.906 6.884 -9.339 1.00 0.00 H new ATOM 0 HA ARG A 66 7.195 5.791 -6.791 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.835 5.890 -8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.258 7.496 -8.213 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.474 6.026 -5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.966 4.852 -7.092 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.005 5.841 -6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.378 6.966 -8.000 1.00 0.00 H new ATOM 0 HE ARG A 66 10.763 7.683 -5.214 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.035 7.965 -7.911 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.749 9.461 -7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.689 9.601 -4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.991 10.381 -5.348 1.00 0.00 H new ATOM 1013 N SER A 67 7.176 9.056 -6.873 1.00 0.00 N ATOM 1014 CA SER A 67 7.113 10.266 -6.062 1.00 0.00 C ATOM 1015 C SER A 67 6.189 10.104 -4.856 1.00 0.00 C ATOM 1016 O SER A 67 6.551 10.461 -3.736 1.00 0.00 O ATOM 1017 CB SER A 67 6.635 11.433 -6.924 1.00 0.00 C ATOM 1018 OG SER A 67 7.622 12.445 -7.011 1.00 0.00 O ATOM 0 H SER A 67 6.997 9.208 -7.866 1.00 0.00 H new ATOM 0 HA SER A 67 8.116 10.463 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.390 11.074 -7.923 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.720 11.849 -6.502 1.00 0.00 H new ATOM 0 HG SER A 67 7.290 13.178 -7.570 1.00 0.00 H new ATOM 1024 N LYS A 68 4.989 9.590 -5.093 1.00 0.00 N ATOM 1025 CA LYS A 68 4.005 9.412 -4.025 1.00 0.00 C ATOM 1026 C LYS A 68 4.286 8.156 -3.200 1.00 0.00 C ATOM 1027 O LYS A 68 4.288 8.203 -1.970 1.00 0.00 O ATOM 1028 CB LYS A 68 2.587 9.363 -4.611 1.00 0.00 C ATOM 1029 CG LYS A 68 2.429 10.157 -5.904 1.00 0.00 C ATOM 1030 CD LYS A 68 1.163 11.004 -5.901 1.00 0.00 C ATOM 1031 CE LYS A 68 1.449 12.437 -6.329 1.00 0.00 C ATOM 1032 NZ LYS A 68 1.192 12.648 -7.781 1.00 0.00 N ATOM 0 H LYS A 68 4.671 9.288 -6.014 1.00 0.00 H new ATOM 0 HA LYS A 68 4.084 10.269 -3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.317 8.324 -4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.884 9.747 -3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.297 10.802 -6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.404 9.471 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.427 10.563 -6.573 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.725 11.002 -4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.828 13.119 -5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.487 12.682 -6.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.200 13.667 -7.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.932 12.174 -8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.264 12.251 -8.031 1.00 0.00 H new ATOM 1046 N VAL A 69 4.527 7.041 -3.878 1.00 0.00 N ATOM 1047 CA VAL A 69 4.810 5.778 -3.201 1.00 0.00 C ATOM 1048 C VAL A 69 5.998 5.909 -2.258 1.00 0.00 C ATOM 1049 O VAL A 69 5.907 5.580 -1.076 1.00 0.00 O ATOM 1050 CB VAL A 69 5.109 4.665 -4.216 1.00 0.00 C ATOM 1051 CG1 VAL A 69 5.348 3.338 -3.508 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.973 4.555 -5.214 1.00 0.00 C ATOM 0 H VAL A 69 4.533 6.984 -4.896 1.00 0.00 H new ATOM 0 HA VAL A 69 3.920 5.521 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 69 6.020 4.919 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.558 2.564 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.197 3.434 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.460 3.064 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.193 3.763 -5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.048 4.321 -4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.860 5.501 -5.743 1.00 0.00 H new ATOM 1062 N ASP A 70 7.109 6.395 -2.790 1.00 0.00 N ATOM 1063 CA ASP A 70 8.327 6.573 -2.000 1.00 0.00 C ATOM 1064 C ASP A 70 8.027 7.341 -0.722 1.00 0.00 C ATOM 1065 O ASP A 70 8.274 6.858 0.381 1.00 0.00 O ATOM 1066 CB ASP A 70 9.397 7.316 -2.808 1.00 0.00 C ATOM 1067 CG ASP A 70 10.714 6.569 -2.851 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.691 5.334 -3.033 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.770 7.220 -2.706 1.00 0.00 O ATOM 0 H ASP A 70 7.197 6.675 -3.767 1.00 0.00 H new ATOM 0 HA ASP A 70 8.705 5.584 -1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.037 7.471 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.557 8.303 -2.373 1.00 0.00 H new ATOM 1074 N GLU A 71 7.486 8.540 -0.888 1.00 0.00 N ATOM 1075 CA GLU A 71 7.139 9.390 0.244 1.00 0.00 C ATOM 1076 C GLU A 71 6.314 8.612 1.257 1.00 0.00 C ATOM 1077 O GLU A 71 6.658 8.546 2.437 1.00 0.00 O ATOM 1078 CB GLU A 71 6.390 10.619 -0.260 1.00 0.00 C ATOM 1079 CG GLU A 71 7.240 11.500 -1.164 1.00 0.00 C ATOM 1080 CD GLU A 71 8.381 12.186 -0.435 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.662 11.813 0.723 1.00 0.00 O ATOM 1082 OE2 GLU A 71 9.000 13.095 -1.026 1.00 0.00 O ATOM 0 H GLU A 71 7.277 8.948 -1.799 1.00 0.00 H new ATOM 0 HA GLU A 71 8.048 9.720 0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.501 10.299 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.048 11.205 0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.648 10.893 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.604 12.257 -1.623 1.00 0.00 H new ATOM 1089 N ALA A 72 5.235 8.009 0.790 1.00 0.00 N ATOM 1090 CA ALA A 72 4.375 7.222 1.653 1.00 0.00 C ATOM 1091 C ALA A 72 5.172 6.177 2.421 1.00 0.00 C ATOM 1092 O ALA A 72 4.998 6.016 3.628 1.00 0.00 O ATOM 1093 CB ALA A 72 3.298 6.559 0.827 1.00 0.00 C ATOM 0 H ALA A 72 4.934 8.050 -0.184 1.00 0.00 H new ATOM 0 HA ALA A 72 3.914 7.888 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.653 5.968 1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.705 7.322 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.758 5.908 0.084 1.00 0.00 H new ATOM 1099 N VAL A 73 6.054 5.469 1.722 1.00 0.00 N ATOM 1100 CA VAL A 73 6.859 4.444 2.370 1.00 0.00 C ATOM 1101 C VAL A 73 7.521 5.024 3.614 1.00 0.00 C ATOM 1102 O VAL A 73 7.707 4.329 4.608 1.00 0.00 O ATOM 1103 CB VAL A 73 7.928 3.863 1.424 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.834 2.893 2.168 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.268 3.175 0.241 1.00 0.00 C ATOM 0 H VAL A 73 6.227 5.584 0.723 1.00 0.00 H new ATOM 0 HA VAL A 73 6.195 3.626 2.650 1.00 0.00 H new ATOM 0 HB VAL A 73 8.541 4.684 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.581 2.494 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.333 3.415 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.238 2.074 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.035 2.770 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.632 2.365 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.662 3.896 -0.308 1.00 0.00 H new ATOM 1115 N ALA A 74 7.840 6.310 3.569 1.00 0.00 N ATOM 1116 CA ALA A 74 8.434 6.976 4.711 1.00 0.00 C ATOM 1117 C ALA A 74 7.376 7.195 5.794 1.00 0.00 C ATOM 1118 O ALA A 74 7.501 6.690 6.910 1.00 0.00 O ATOM 1119 CB ALA A 74 9.063 8.295 4.292 1.00 0.00 C ATOM 0 H ALA A 74 7.697 6.908 2.755 1.00 0.00 H new ATOM 0 HA ALA A 74 9.223 6.344 5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.504 8.781 5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.838 8.109 3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.298 8.943 3.864 1.00 0.00 H new ATOM 1125 N VAL A 75 6.335 7.955 5.451 1.00 0.00 N ATOM 1126 CA VAL A 75 5.251 8.247 6.391 1.00 0.00 C ATOM 1127 C VAL A 75 4.558 6.977 6.901 1.00 0.00 C ATOM 1128 O VAL A 75 4.563 6.704 8.100 1.00 0.00 O ATOM 1129 CB VAL A 75 4.171 9.167 5.776 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.740 10.220 6.783 1.00 0.00 C ATOM 1131 CG2 VAL A 75 4.651 9.826 4.492 1.00 0.00 C ATOM 0 H VAL A 75 6.219 8.379 4.531 1.00 0.00 H new ATOM 0 HA VAL A 75 5.734 8.757 7.225 1.00 0.00 H new ATOM 0 HB VAL A 75 3.314 8.543 5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.979 10.861 6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.330 9.732 7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.601 10.824 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.862 10.463 4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.534 10.430 4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.901 9.058 3.760 1.00 0.00 H new ATOM 1141 N LEU A 76 3.932 6.225 5.994 1.00 0.00 N ATOM 1142 CA LEU A 76 3.202 5.007 6.373 1.00 0.00 C ATOM 1143 C LEU A 76 4.044 4.084 7.236 1.00 0.00 C ATOM 1144 O LEU A 76 3.640 3.701 8.334 1.00 0.00 O ATOM 1145 CB LEU A 76 2.745 4.222 5.144 1.00 0.00 C ATOM 1146 CG LEU A 76 2.318 5.045 3.934 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.938 4.121 2.790 1.00 0.00 C ATOM 1148 CD2 LEU A 76 1.162 5.960 4.297 1.00 0.00 C ATOM 0 H LEU A 76 3.914 6.434 4.996 1.00 0.00 H new ATOM 0 HA LEU A 76 2.335 5.344 6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.557 3.562 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.910 3.586 5.436 1.00 0.00 H new ATOM 0 HG LEU A 76 3.153 5.668 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.634 4.715 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.795 3.504 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.112 3.480 3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.869 6.541 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.316 5.361 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.470 6.636 5.095 1.00 0.00 H new ATOM 1160 N GLN A 77 5.207 3.709 6.722 1.00 0.00 N ATOM 1161 CA GLN A 77 6.090 2.804 7.443 1.00 0.00 C ATOM 1162 C GLN A 77 6.288 3.300 8.874 1.00 0.00 C ATOM 1163 O GLN A 77 6.405 2.509 9.810 1.00 0.00 O ATOM 1164 CB GLN A 77 7.436 2.683 6.727 1.00 0.00 C ATOM 1165 CG GLN A 77 8.246 1.467 7.145 1.00 0.00 C ATOM 1166 CD GLN A 77 9.089 1.719 8.379 1.00 0.00 C ATOM 1167 OE1 GLN A 77 9.887 2.657 8.419 1.00 0.00 O ATOM 1168 NE2 GLN A 77 8.918 0.880 9.393 1.00 0.00 N ATOM 0 H GLN A 77 5.559 4.015 5.815 1.00 0.00 H new ATOM 0 HA GLN A 77 5.631 1.816 7.473 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.262 2.640 5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.022 3.582 6.920 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.570 0.634 7.336 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.895 1.168 6.322 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.246 0.117 9.316 1.00 0.00 H new ATOM 0 HE22 GLN A 77 9.459 0.998 10.250 1.00 0.00 H new ATOM 1177 N ALA A 78 6.298 4.621 9.032 1.00 0.00 N ATOM 1178 CA ALA A 78 6.448 5.241 10.344 1.00 0.00 C ATOM 1179 C ALA A 78 5.115 5.278 11.094 1.00 0.00 C ATOM 1180 O ALA A 78 4.997 4.745 12.198 1.00 0.00 O ATOM 1181 CB ALA A 78 7.014 6.648 10.203 1.00 0.00 C ATOM 0 H ALA A 78 6.203 5.285 8.263 1.00 0.00 H new ATOM 0 HA ALA A 78 7.145 4.636 10.924 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.120 7.098 11.190 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.989 6.601 9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.338 7.253 9.599 1.00 0.00 H new ATOM 1187 N HIS A 79 4.116 5.918 10.486 1.00 0.00 N ATOM 1188 CA HIS A 79 2.791 6.036 11.091 1.00 0.00 C ATOM 1189 C HIS A 79 2.185 4.662 11.358 1.00 0.00 C ATOM 1190 O HIS A 79 1.966 4.284 12.508 1.00 0.00 O ATOM 1191 CB HIS A 79 1.861 6.859 10.185 1.00 0.00 C ATOM 1192 CG HIS A 79 1.565 8.228 10.716 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.448 8.520 11.468 1.00 0.00 N ATOM 1194 CD2 HIS A 79 2.248 9.393 10.599 1.00 0.00 C ATOM 1195 CE1 HIS A 79 0.453 9.800 11.791 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.535 10.353 11.275 1.00 0.00 N ATOM 0 H HIS A 79 4.201 6.364 9.572 1.00 0.00 H new ATOM 0 HA HIS A 79 2.901 6.550 12.046 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.316 6.951 9.199 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.924 6.319 10.054 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.179 9.539 10.072 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.299 10.308 12.377 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.799 11.334 11.364 1.00 0.00 H new ATOM 1536 N LYS B 5 5.763 13.120 4.745 1.00 0.00 N ATOM 1537 CA LYS B 5 6.025 13.090 3.313 1.00 0.00 C ATOM 1538 C LYS B 5 4.781 13.496 2.513 1.00 0.00 C ATOM 1539 O LYS B 5 3.806 13.988 3.082 1.00 0.00 O ATOM 1540 CB LYS B 5 6.536 11.716 2.887 1.00 0.00 C ATOM 1541 CG LYS B 5 7.589 11.147 3.829 1.00 0.00 C ATOM 1542 CD LYS B 5 8.995 11.574 3.429 1.00 0.00 C ATOM 1543 CE LYS B 5 9.960 11.522 4.609 1.00 0.00 C ATOM 1544 NZ LYS B 5 9.755 12.657 5.551 1.00 0.00 N ATOM 0 HA LYS B 5 6.805 13.820 3.096 1.00 0.00 H new ATOM 0 HB2 LYS B 5 5.695 11.024 2.832 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.956 11.787 1.884 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.384 11.479 4.847 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.526 10.059 3.830 1.00 0.00 H new ATOM 0 HD2 LYS B 5 9.359 10.925 2.633 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.967 12.587 3.027 1.00 0.00 H new ATOM 0 HE2 LYS B 5 9.829 10.581 5.143 1.00 0.00 H new ATOM 0 HE3 LYS B 5 10.985 11.539 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.524 12.670 6.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.754 13.552 5.021 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 8.844 12.543 6.039 1.00 0.00 H new ATOM 1558 N LEU B 6 4.830 13.318 1.192 1.00 0.00 N ATOM 1559 CA LEU B 6 3.715 13.702 0.319 1.00 0.00 C ATOM 1560 C LEU B 6 2.472 12.841 0.537 1.00 0.00 C ATOM 1561 O LEU B 6 1.356 13.359 0.558 1.00 0.00 O ATOM 1562 CB LEU B 6 4.131 13.613 -1.149 1.00 0.00 C ATOM 1563 CG LEU B 6 4.978 14.777 -1.660 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.955 14.283 -2.714 1.00 0.00 C ATOM 1565 CD2 LEU B 6 4.091 15.878 -2.223 1.00 0.00 C ATOM 0 H LEU B 6 5.627 12.911 0.702 1.00 0.00 H new ATOM 0 HA LEU B 6 3.461 14.730 0.578 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.688 12.688 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.232 13.544 -1.761 1.00 0.00 H new ATOM 0 HG LEU B 6 5.544 15.193 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.555 15.119 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.609 13.527 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.403 13.848 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.713 16.698 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.500 15.482 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.424 16.243 -1.442 1.00 0.00 H new ATOM 1577 N SER B 7 2.658 11.536 0.701 1.00 0.00 N ATOM 1578 CA SER B 7 1.533 10.642 0.920 1.00 0.00 C ATOM 1579 C SER B 7 1.540 10.103 2.347 1.00 0.00 C ATOM 1580 O SER B 7 2.330 9.225 2.686 1.00 0.00 O ATOM 1581 CB SER B 7 1.573 9.492 -0.079 1.00 0.00 C ATOM 1582 OG SER B 7 2.247 9.871 -1.267 1.00 0.00 O ATOM 0 H SER B 7 3.570 11.079 0.686 1.00 0.00 H new ATOM 0 HA SER B 7 0.612 11.206 0.772 1.00 0.00 H new ATOM 0 HB2 SER B 7 2.074 8.634 0.369 1.00 0.00 H new ATOM 0 HB3 SER B 7 0.557 9.178 -0.318 1.00 0.00 H new ATOM 0 HG SER B 7 3.049 9.319 -1.378 1.00 0.00 H new ATOM 1588 N VAL B 8 0.656 10.637 3.183 1.00 0.00 N ATOM 1589 CA VAL B 8 0.565 10.211 4.575 1.00 0.00 C ATOM 1590 C VAL B 8 -0.253 8.930 4.712 1.00 0.00 C ATOM 1591 O VAL B 8 -0.712 8.367 3.718 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.067 11.309 5.450 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.855 12.517 5.541 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.428 11.708 4.900 1.00 0.00 C ATOM 0 H VAL B 8 -0.008 11.366 2.921 1.00 0.00 H new ATOM 0 HA VAL B 8 1.583 10.020 4.916 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.207 10.913 6.456 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.391 13.282 6.163 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.805 12.217 5.982 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.029 12.918 4.542 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.861 12.485 5.530 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.313 12.086 3.884 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.086 10.839 4.891 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.426 8.470 5.949 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.181 7.251 6.220 1.00 0.00 C ATOM 1606 C ASN B 9 -2.692 7.484 6.136 1.00 0.00 C ATOM 1607 O ASN B 9 -3.417 7.256 7.106 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.813 6.714 7.606 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.434 5.363 7.885 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.806 4.312 7.375 1.00 0.00 O flip ATOM 1611 ND2 ASN B 9 -2.463 5.263 8.552 1.00 0.00 N flip ATOM 0 H ASN B 9 -0.052 8.925 6.781 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.918 6.519 5.456 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.271 6.636 7.686 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.139 7.424 8.366 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.912 6.099 8.925 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.867 4.344 8.732 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.162 7.951 4.980 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.584 8.227 4.783 1.00 0.00 C ATOM 1620 C ALA B 10 -5.462 7.032 5.165 1.00 0.00 C ATOM 1621 O ALA B 10 -4.957 5.994 5.591 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.831 8.628 3.339 1.00 0.00 C ATOM 0 H ALA B 10 -2.579 8.146 4.166 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.860 9.049 5.443 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -5.892 8.833 3.195 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.253 9.522 3.106 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.525 7.816 2.679 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.797 7.174 5.017 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.759 6.110 5.345 1.00 0.00 C ATOM 1630 C PRO B 11 -7.402 4.780 4.681 1.00 0.00 C ATOM 1631 O PRO B 11 -6.277 4.589 4.226 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.082 6.647 4.798 1.00 0.00 C ATOM 1633 CG PRO B 11 -8.923 8.127 4.827 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.475 8.389 4.522 1.00 0.00 C ATOM 0 HA PRO B 11 -7.782 5.895 6.413 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.268 6.287 3.786 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -9.924 6.326 5.411 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.570 8.604 4.091 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.197 8.531 5.802 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.309 8.535 3.455 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.114 9.285 5.027 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.373 3.876 4.592 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.162 2.587 3.941 1.00 0.00 C ATOM 1644 C GLU B 12 -8.336 2.696 2.427 1.00 0.00 C ATOM 1645 O GLU B 12 -8.581 3.776 1.891 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.129 1.546 4.501 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.568 0.767 5.677 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.594 -0.311 5.250 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -7.712 -0.800 4.106 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -6.711 -0.668 6.057 1.00 0.00 O ATOM 0 H GLU B 12 -9.314 4.012 4.962 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.138 2.274 4.146 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -10.047 2.045 4.811 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.397 0.848 3.708 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.067 1.455 6.358 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -9.389 0.311 6.231 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.237 1.554 1.752 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.417 1.507 0.305 1.00 0.00 C ATOM 1659 C PHE B 13 -9.786 0.930 -0.029 1.00 0.00 C ATOM 1660 O PHE B 13 -10.076 -0.229 0.263 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.313 0.699 -0.386 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.385 -0.785 -0.180 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -7.137 -1.348 1.062 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.683 -1.618 -1.241 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -7.191 -2.718 1.236 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.738 -2.985 -1.070 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.492 -3.534 0.163 1.00 0.00 C ATOM 0 H PHE B 13 -8.034 0.652 2.183 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.352 2.528 -0.071 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.350 0.904 -1.456 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.347 1.053 -0.027 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.900 -0.711 1.901 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.875 -1.194 -2.215 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.999 -3.149 2.207 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.975 -3.624 -1.908 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.534 -4.605 0.295 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.609 1.747 -0.677 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.940 1.338 -1.101 1.00 0.00 C ATOM 1679 C TYR B 14 -12.042 1.418 -2.629 1.00 0.00 C ATOM 1680 O TYR B 14 -11.078 1.808 -3.288 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.992 2.206 -0.408 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.627 1.529 0.793 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -14.526 0.475 0.643 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -13.318 1.939 2.084 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -15.096 -0.141 1.738 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -13.885 1.324 3.185 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.773 0.285 3.005 1.00 0.00 C ATOM 1688 OH TYR B 14 -15.342 -0.326 4.097 1.00 0.00 O ATOM 0 H TYR B 14 -10.372 2.708 -0.922 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.124 0.303 -0.811 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.530 3.140 -0.089 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.771 2.464 -1.125 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -14.781 0.134 -0.349 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -12.623 2.752 2.230 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -15.793 -0.954 1.601 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -13.633 1.656 4.181 1.00 0.00 H new ATOM 0 HH TYR B 14 -15.008 0.093 4.917 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.199 1.070 -3.225 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.374 1.134 -4.679 1.00 0.00 C ATOM 1700 C PRO B 15 -13.436 2.564 -5.196 1.00 0.00 C ATOM 1701 O PRO B 15 -14.484 3.211 -5.149 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.702 0.442 -4.922 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.451 0.589 -3.645 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.421 0.601 -2.550 1.00 0.00 C ATOM 0 HA PRO B 15 -12.535 0.671 -5.197 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.241 0.901 -5.751 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.559 -0.608 -5.177 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -16.034 1.510 -3.640 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.153 -0.234 -3.509 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.709 1.266 -1.736 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.284 -0.390 -2.118 1.00 0.00 H new ATOM 1712 N SER B 16 -12.321 3.040 -5.713 1.00 0.00 N ATOM 1713 CA SER B 16 -12.243 4.385 -6.260 1.00 0.00 C ATOM 1714 C SER B 16 -13.346 4.615 -7.284 1.00 0.00 C ATOM 1715 O SER B 16 -14.290 5.369 -7.044 1.00 0.00 O ATOM 1716 CB SER B 16 -10.888 4.585 -6.914 1.00 0.00 C ATOM 1717 OG SER B 16 -10.632 3.558 -7.853 1.00 0.00 O ATOM 0 H SER B 16 -11.449 2.513 -5.767 1.00 0.00 H new ATOM 0 HA SER B 16 -12.371 5.101 -5.449 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.857 5.555 -7.410 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.108 4.592 -6.153 1.00 0.00 H new ATOM 0 HG SER B 16 -10.665 3.928 -8.760 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.217 3.949 -8.424 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.205 4.075 -9.478 1.00 0.00 C ATOM 1725 C GLY B 17 -15.387 3.151 -9.274 1.00 0.00 C ATOM 1726 O GLY B 17 -15.748 2.386 -10.167 1.00 0.00 O ATOM 0 H GLY B 17 -12.442 3.321 -8.638 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.556 5.106 -9.522 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.738 3.857 -10.438 1.00 0.00 H new ATOM 1730 N TYR B 18 -16.003 3.238 -8.099 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.166 2.423 -7.776 1.00 0.00 C ATOM 1732 C TYR B 18 -18.382 2.919 -8.549 1.00 0.00 C ATOM 1733 O TYR B 18 -18.428 4.078 -8.964 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.441 2.506 -6.275 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.169 1.317 -5.695 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.556 0.075 -5.606 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.459 1.446 -5.202 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.209 -1.006 -5.047 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.120 0.372 -4.633 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.489 -0.851 -4.558 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.137 -1.921 -3.984 1.00 0.00 O ATOM 0 H TYR B 18 -15.713 3.869 -7.352 1.00 0.00 H new ATOM 0 HA TYR B 18 -16.968 1.388 -8.055 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.492 2.622 -5.752 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.026 3.404 -6.077 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.551 -0.048 -5.981 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -19.957 2.403 -5.263 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.720 -1.967 -4.993 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.123 0.491 -4.250 1.00 0.00 H new ATOM 0 HH TYR B 18 -21.030 -1.643 -3.690 1.00 0.00 H new