USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 772 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 112 SER OG : rot 152:sc= -0.0724 USER MOD Set 1.2: A 116 LYS NZ :NH3+ 173:sc= 0.359 (180deg=0) USER MOD Set 2.1: A 106 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.87) USER MOD Set 2.2: A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 97 CYS SG : rot 29:sc= 0.85 USER MOD Set 3.2: A 100 CYS SG : rot -54:sc= -4.04! USER MOD Set 3.3: A 113 HIS :FLIP no HD1:sc= -2.53 F(o=-9.4!,f=-8.3) USER MOD Set 3.4: A 114 MET CE :methyl -119:sc= -0.136 (180deg=-0.515) USER MOD Set 3.5: A 118 HIS : no HD1:sc= -2.46! X(o=-8.3!,f=-8.7) USER MOD Set 4.1: A 96 LYS NZ :NH3+ 138:sc= 0.391 (180deg=-0.441) USER MOD Set 4.2: A 103 GLN :FLIP amide:sc= 0.362 F(o=-3.4,f=0.75) USER MOD Set 5.1: A 69 CYS SG : rot -130:sc= 0.304 USER MOD Set 5.2: A 72 CYS SG : rot -35:sc= -1.99! USER MOD Set 5.3: A 85 HIS :FLIP no HE2:sc= -1.91 F(o=-13,f=-11) USER MOD Set 5.4: A 86 MET CE :methyl 157:sc= -3.09! (180deg=-2.48!) USER MOD Set 5.5: A 89 HIS : +bothHN:sc= -4.75! C(o=-11!,f=-14!) USER MOD Set 6.1: A 38 CYS SG : rot -130:sc= -1.04 USER MOD Set 6.2: A 41 CYS SG : rot -129:sc= -2.02 USER MOD Set 6.3: A 45 TYR OH : rot 172:sc= 0.0893 USER MOD Set 6.4: A 54 HIS : no HE2:sc= -0.73 X(o=-3.7,f=-3.9) USER MOD Set 7.1: A 10 CYS SG : rot 159:sc= 0.36 USER MOD Set 7.2: A 12 THR OG1 : rot 91:sc= 0.105 USER MOD Set 7.3: A 13 CYS SG : rot -37:sc= -1.22! USER MOD Set 7.4: A 26 HIS : no HE2:sc= -1.06 K(o=-1.8,f=-2.4) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= -0.0698 (180deg=-0.0698) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.386 F(o=-1.2!,f=-0.39) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= 0.197 (180deg=0.153) USER MOD Single : A 44 CYS SG : rot 8:sc= 0.719 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.108 K(o=-0.11,f=-5.5!) USER MOD Single : A 58 ASN : amide:sc= -2.45! C(o=-2.5!,f=-2.4!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.277 F(o=-2.1,f=-0.28) USER MOD Single : A 75 THR OG1 : rot 32:sc= 0.0933 USER MOD Single : A 80 MET CE :methyl -140:sc= -1.68 (180deg=-5.52!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.479 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 105 MET CE :methyl -167:sc= -0.763 (180deg=-0.863) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -1.03 K(o=-1,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 4.705 -7.325 35.229 1.00 0.00 N ATOM 60 CA GLY A 7 3.702 -7.195 34.188 1.00 0.00 C ATOM 61 C GLY A 7 4.273 -6.637 32.899 1.00 0.00 C ATOM 62 O GLY A 7 5.440 -6.249 32.845 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.257 -8.171 33.992 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.901 -6.544 34.539 1.00 0.00 H new ATOM 66 N VAL A 8 3.449 -6.598 31.856 1.00 0.00 N ATOM 67 CA VAL A 8 3.879 -6.085 30.561 1.00 0.00 C ATOM 68 C VAL A 8 3.892 -4.561 30.551 1.00 0.00 C ATOM 69 O VAL A 8 3.470 -3.921 31.514 1.00 0.00 O ATOM 70 CB VAL A 8 2.966 -6.587 29.427 1.00 0.00 C ATOM 71 CG1 VAL A 8 2.946 -8.108 29.391 1.00 0.00 C ATOM 72 CG2 VAL A 8 1.560 -6.031 29.590 1.00 0.00 C ATOM 0 H VAL A 8 2.480 -6.916 31.883 1.00 0.00 H new ATOM 0 HA VAL A 8 4.890 -6.455 30.394 1.00 0.00 H new ATOM 0 HB VAL A 8 3.365 -6.230 28.478 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.296 -8.444 28.583 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.956 -8.481 29.223 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.572 -8.490 30.341 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.928 -6.396 28.780 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.149 -6.356 30.546 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.594 -4.942 29.561 1.00 0.00 H new ATOM 82 N GLU A 9 4.378 -3.986 29.455 1.00 0.00 N ATOM 83 CA GLU A 9 4.446 -2.535 29.321 1.00 0.00 C ATOM 84 C GLU A 9 4.085 -2.103 27.902 1.00 0.00 C ATOM 85 O GLU A 9 4.387 -2.800 26.933 1.00 0.00 O ATOM 86 CB GLU A 9 5.846 -2.032 29.678 1.00 0.00 C ATOM 87 CG GLU A 9 6.010 -0.529 29.528 1.00 0.00 C ATOM 88 CD GLU A 9 7.086 0.034 30.436 1.00 0.00 C ATOM 89 OE1 GLU A 9 8.156 -0.598 30.550 1.00 0.00 O ATOM 90 OE2 GLU A 9 6.857 1.107 31.033 1.00 0.00 O ATOM 0 H GLU A 9 4.730 -4.502 28.648 1.00 0.00 H new ATOM 0 HA GLU A 9 3.724 -2.098 30.011 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.072 -2.313 30.707 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.576 -2.534 29.043 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.256 -0.296 28.492 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.061 -0.040 29.749 1.00 0.00 H new ATOM 97 N CYS A 10 3.437 -0.949 27.789 1.00 0.00 N ATOM 98 CA CYS A 10 3.033 -0.422 26.491 1.00 0.00 C ATOM 99 C CYS A 10 4.057 0.581 25.968 1.00 0.00 C ATOM 100 O CYS A 10 4.270 1.647 26.546 1.00 0.00 O ATOM 101 CB CYS A 10 1.658 0.241 26.592 1.00 0.00 C ATOM 102 SG CYS A 10 1.113 1.059 25.058 1.00 0.00 S ATOM 0 H CYS A 10 3.180 -0.360 28.581 1.00 0.00 H new ATOM 0 HA CYS A 10 2.977 -1.255 25.790 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.922 -0.514 26.870 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.679 0.977 27.396 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.180 1.195 25.075 1.00 0.00 H new ATOM 107 N PRO A 11 4.707 0.233 24.847 1.00 0.00 N ATOM 108 CA PRO A 11 5.719 1.089 24.221 1.00 0.00 C ATOM 109 C PRO A 11 5.113 2.342 23.597 1.00 0.00 C ATOM 110 O PRO A 11 5.795 3.094 22.900 1.00 0.00 O ATOM 111 CB PRO A 11 6.322 0.191 23.138 1.00 0.00 C ATOM 112 CG PRO A 11 5.248 -0.792 22.819 1.00 0.00 C ATOM 113 CD PRO A 11 4.504 -1.023 24.105 1.00 0.00 C ATOM 0 HA PRO A 11 6.447 1.455 24.945 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.605 0.768 22.258 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.223 -0.309 23.494 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.582 -0.406 22.047 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.670 -1.723 22.440 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.446 -1.219 23.928 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.900 -1.880 24.650 1.00 0.00 H new ATOM 121 N THR A 12 3.827 2.562 23.853 1.00 0.00 N ATOM 122 CA THR A 12 3.129 3.723 23.316 1.00 0.00 C ATOM 123 C THR A 12 2.902 4.775 24.395 1.00 0.00 C ATOM 124 O THR A 12 3.386 5.902 24.290 1.00 0.00 O ATOM 125 CB THR A 12 1.771 3.329 22.705 1.00 0.00 C ATOM 126 OG1 THR A 12 1.908 2.127 21.940 1.00 0.00 O ATOM 127 CG2 THR A 12 1.234 4.442 21.818 1.00 0.00 C ATOM 0 H THR A 12 3.248 1.951 24.429 1.00 0.00 H new ATOM 0 HA THR A 12 3.764 4.140 22.534 1.00 0.00 H new ATOM 0 HB THR A 12 1.066 3.162 23.519 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.724 1.353 22.512 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.274 4.141 21.398 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.103 5.348 22.410 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.939 4.636 21.010 1.00 0.00 H new ATOM 135 N CYS A 13 2.163 4.400 25.434 1.00 0.00 N ATOM 136 CA CYS A 13 1.871 5.311 26.534 1.00 0.00 C ATOM 137 C CYS A 13 2.598 4.880 27.805 1.00 0.00 C ATOM 138 O CYS A 13 2.305 5.369 28.897 1.00 0.00 O ATOM 139 CB CYS A 13 0.364 5.369 26.791 1.00 0.00 C ATOM 140 SG CYS A 13 -0.412 3.738 27.031 1.00 0.00 S ATOM 0 H CYS A 13 1.755 3.471 25.537 1.00 0.00 H new ATOM 0 HA CYS A 13 2.223 6.304 26.253 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.180 5.981 27.674 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.118 5.869 25.951 1.00 0.00 H new ATOM 0 HG CYS A 13 0.152 2.869 26.245 1.00 0.00 H new ATOM 145 N HIS A 14 3.548 3.963 27.654 1.00 0.00 N ATOM 146 CA HIS A 14 4.319 3.466 28.789 1.00 0.00 C ATOM 147 C HIS A 14 3.396 2.928 29.878 1.00 0.00 C ATOM 148 O HIS A 14 3.739 2.944 31.061 1.00 0.00 O ATOM 149 CB HIS A 14 5.204 4.577 29.356 1.00 0.00 C ATOM 150 CG HIS A 14 6.052 5.253 28.324 1.00 0.00 C ATOM 151 ND1 HIS A 14 6.828 4.562 27.417 1.00 0.00 N ATOM 152 CD2 HIS A 14 6.242 6.566 28.056 1.00 0.00 C ATOM 153 CE1 HIS A 14 7.460 5.421 26.638 1.00 0.00 C ATOM 154 NE2 HIS A 14 7.121 6.644 27.004 1.00 0.00 N ATOM 0 H HIS A 14 3.803 3.549 26.757 1.00 0.00 H new ATOM 0 HA HIS A 14 4.952 2.651 28.439 1.00 0.00 H new ATOM 0 HB2 HIS A 14 4.572 5.322 29.840 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.850 4.158 30.127 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.787 7.398 28.573 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.139 5.167 25.837 1.00 0.00 H new ATOM 0 HE2 HIS A 14 7.457 7.506 26.575 1.00 0.00 H new ATOM 162 N LYS A 15 2.223 2.454 29.472 1.00 0.00 N ATOM 163 CA LYS A 15 1.250 1.910 30.413 1.00 0.00 C ATOM 164 C LYS A 15 1.485 0.420 30.638 1.00 0.00 C ATOM 165 O LYS A 15 1.468 -0.371 29.695 1.00 0.00 O ATOM 166 CB LYS A 15 -0.172 2.141 29.897 1.00 0.00 C ATOM 167 CG LYS A 15 -1.244 1.921 30.950 1.00 0.00 C ATOM 168 CD LYS A 15 -2.595 2.443 30.489 1.00 0.00 C ATOM 169 CE LYS A 15 -3.703 2.048 31.453 1.00 0.00 C ATOM 170 NZ LYS A 15 -3.908 3.074 32.513 1.00 0.00 N ATOM 0 H LYS A 15 1.923 2.435 28.497 1.00 0.00 H new ATOM 0 HA LYS A 15 1.373 2.427 31.365 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.251 3.160 29.518 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.358 1.472 29.056 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.321 0.857 31.175 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.956 2.422 31.874 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.557 3.529 30.402 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.818 2.052 29.496 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.632 1.906 30.900 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.458 1.092 31.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.671 2.768 33.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.029 3.191 33.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.167 3.980 32.073 1.00 0.00 H new ATOM 184 N LYS A 16 1.702 0.043 31.893 1.00 0.00 N ATOM 185 CA LYS A 16 1.937 -1.353 32.243 1.00 0.00 C ATOM 186 C LYS A 16 0.646 -2.025 32.698 1.00 0.00 C ATOM 187 O LYS A 16 -0.275 -1.363 33.178 1.00 0.00 O ATOM 188 CB LYS A 16 2.992 -1.452 33.348 1.00 0.00 C ATOM 189 CG LYS A 16 4.345 -0.887 32.949 1.00 0.00 C ATOM 190 CD LYS A 16 5.459 -1.444 33.819 1.00 0.00 C ATOM 191 CE LYS A 16 6.623 -0.470 33.925 1.00 0.00 C ATOM 192 NZ LYS A 16 7.820 -1.101 34.547 1.00 0.00 N ATOM 0 H LYS A 16 1.720 0.685 32.685 1.00 0.00 H new ATOM 0 HA LYS A 16 2.300 -1.868 31.354 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.633 -0.923 34.231 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.113 -2.498 33.631 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.545 -1.123 31.904 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.326 0.200 33.032 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.071 -1.659 34.815 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.810 -2.388 33.403 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.881 -0.103 32.932 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.320 0.395 34.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.591 -0.405 34.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.581 -1.429 35.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.125 -1.911 33.970 1.00 0.00 H new ATOM 206 N PHE A 17 0.584 -3.344 32.544 1.00 0.00 N ATOM 207 CA PHE A 17 -0.595 -4.105 32.940 1.00 0.00 C ATOM 208 C PHE A 17 -0.196 -5.415 33.612 1.00 0.00 C ATOM 209 O PHE A 17 0.981 -5.780 33.638 1.00 0.00 O ATOM 210 CB PHE A 17 -1.475 -4.392 31.721 1.00 0.00 C ATOM 211 CG PHE A 17 -2.005 -3.152 31.060 1.00 0.00 C ATOM 212 CD1 PHE A 17 -1.189 -2.382 30.246 1.00 0.00 C ATOM 213 CD2 PHE A 17 -3.319 -2.756 31.252 1.00 0.00 C ATOM 214 CE1 PHE A 17 -1.674 -1.241 29.636 1.00 0.00 C ATOM 215 CE2 PHE A 17 -3.809 -1.616 30.644 1.00 0.00 C ATOM 216 CZ PHE A 17 -2.986 -0.857 29.836 1.00 0.00 C ATOM 0 H PHE A 17 1.336 -3.907 32.148 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.160 -3.507 33.655 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.899 -4.964 30.994 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.313 -5.018 32.027 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.162 -2.677 30.087 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.967 -3.345 31.884 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.028 -0.650 29.004 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.835 -1.319 30.801 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.367 0.035 29.361 1.00 0.00 H new ATOM 226 N LEU A 18 -1.183 -6.119 34.156 1.00 0.00 N ATOM 227 CA LEU A 18 -0.936 -7.389 34.831 1.00 0.00 C ATOM 228 C LEU A 18 -0.309 -8.399 33.876 1.00 0.00 C ATOM 229 O LEU A 18 0.787 -8.903 34.121 1.00 0.00 O ATOM 230 CB LEU A 18 -2.241 -7.949 35.399 1.00 0.00 C ATOM 231 CG LEU A 18 -2.813 -7.216 36.613 1.00 0.00 C ATOM 232 CD1 LEU A 18 -4.227 -7.695 36.908 1.00 0.00 C ATOM 233 CD2 LEU A 18 -1.917 -7.414 37.827 1.00 0.00 C ATOM 0 H LEU A 18 -2.162 -5.832 34.143 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.239 -7.209 35.649 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.991 -7.941 34.608 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.077 -8.991 35.673 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.852 -6.151 36.385 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.618 -7.163 37.775 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.864 -7.501 36.045 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.213 -8.765 37.115 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.340 -6.885 38.681 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.846 -8.477 38.057 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.923 -7.022 37.613 1.00 0.00 H new ATOM 245 N SER A 19 -1.010 -8.689 32.784 1.00 0.00 N ATOM 246 CA SER A 19 -0.523 -9.640 31.793 1.00 0.00 C ATOM 247 C SER A 19 -0.632 -9.062 30.385 1.00 0.00 C ATOM 248 O SER A 19 -1.318 -8.063 30.163 1.00 0.00 O ATOM 249 CB SER A 19 -1.310 -10.949 31.881 1.00 0.00 C ATOM 250 OG SER A 19 -1.122 -11.574 33.139 1.00 0.00 O ATOM 0 H SER A 19 -1.917 -8.278 32.564 1.00 0.00 H new ATOM 0 HA SER A 19 0.527 -9.841 32.004 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.370 -10.751 31.725 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.991 -11.623 31.086 1.00 0.00 H new ATOM 0 HG SER A 19 -1.637 -12.407 33.170 1.00 0.00 H new ATOM 256 N LYS A 20 0.049 -9.696 29.437 1.00 0.00 N ATOM 257 CA LYS A 20 0.030 -9.248 28.050 1.00 0.00 C ATOM 258 C LYS A 20 -1.398 -9.194 27.515 1.00 0.00 C ATOM 259 O LYS A 20 -1.753 -8.293 26.755 1.00 0.00 O ATOM 260 CB LYS A 20 0.877 -10.178 27.179 1.00 0.00 C ATOM 261 CG LYS A 20 1.166 -9.622 25.796 1.00 0.00 C ATOM 262 CD LYS A 20 2.500 -8.896 25.755 1.00 0.00 C ATOM 263 CE LYS A 20 3.666 -9.872 25.760 1.00 0.00 C ATOM 264 NZ LYS A 20 4.085 -10.243 24.380 1.00 0.00 N ATOM 0 H LYS A 20 0.622 -10.523 29.604 1.00 0.00 H new ATOM 0 HA LYS A 20 0.452 -8.243 28.014 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.821 -10.376 27.686 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.363 -11.134 27.077 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.171 -10.435 25.070 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.369 -8.938 25.504 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.549 -8.273 24.862 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.579 -8.229 26.613 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.509 -9.427 26.288 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.385 -10.771 26.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.882 -10.909 24.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.288 -10.690 23.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.378 -9.389 23.865 1.00 0.00 H new ATOM 278 N TYR A 21 -2.212 -10.164 27.918 1.00 0.00 N ATOM 279 CA TYR A 21 -3.601 -10.227 27.478 1.00 0.00 C ATOM 280 C TYR A 21 -4.264 -8.856 27.570 1.00 0.00 C ATOM 281 O TYR A 21 -4.822 -8.357 26.592 1.00 0.00 O ATOM 282 CB TYR A 21 -4.379 -11.240 28.321 1.00 0.00 C ATOM 283 CG TYR A 21 -5.873 -11.008 28.319 1.00 0.00 C ATOM 284 CD1 TYR A 21 -6.579 -10.912 27.126 1.00 0.00 C ATOM 285 CD2 TYR A 21 -6.579 -10.888 29.510 1.00 0.00 C ATOM 286 CE1 TYR A 21 -7.944 -10.700 27.120 1.00 0.00 C ATOM 287 CE2 TYR A 21 -7.944 -10.677 29.513 1.00 0.00 C ATOM 288 CZ TYR A 21 -8.622 -10.584 28.315 1.00 0.00 C ATOM 289 OH TYR A 21 -9.982 -10.374 28.313 1.00 0.00 O ATOM 0 H TYR A 21 -1.934 -10.917 28.548 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.612 -10.547 26.436 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.175 -12.244 27.948 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.015 -11.202 29.348 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.052 -11.005 26.188 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.051 -10.961 30.449 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.477 -10.625 26.184 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.477 -10.585 30.448 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.305 -10.316 29.236 1.00 0.00 H new ATOM 299 N TYR A 22 -4.200 -8.253 28.751 1.00 0.00 N ATOM 300 CA TYR A 22 -4.795 -6.940 28.973 1.00 0.00 C ATOM 301 C TYR A 22 -4.146 -5.889 28.077 1.00 0.00 C ATOM 302 O TYR A 22 -4.819 -5.001 27.553 1.00 0.00 O ATOM 303 CB TYR A 22 -4.653 -6.534 30.440 1.00 0.00 C ATOM 304 CG TYR A 22 -5.463 -7.391 31.387 1.00 0.00 C ATOM 305 CD1 TYR A 22 -6.770 -7.752 31.083 1.00 0.00 C ATOM 306 CD2 TYR A 22 -4.921 -7.840 32.585 1.00 0.00 C ATOM 307 CE1 TYR A 22 -7.514 -8.534 31.945 1.00 0.00 C ATOM 308 CE2 TYR A 22 -5.656 -8.624 33.452 1.00 0.00 C ATOM 309 CZ TYR A 22 -6.952 -8.969 33.128 1.00 0.00 C ATOM 310 OH TYR A 22 -7.689 -9.748 33.990 1.00 0.00 O ATOM 0 H TYR A 22 -3.742 -8.652 29.570 1.00 0.00 H new ATOM 0 HA TYR A 22 -5.854 -7.002 28.721 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.602 -6.588 30.723 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.960 -5.494 30.552 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.212 -7.415 30.157 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.907 -7.571 32.843 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.529 -8.803 31.695 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.219 -8.965 34.379 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.147 -9.970 34.775 1.00 0.00 H new ATOM 320 N LEU A 23 -2.833 -5.997 27.906 1.00 0.00 N ATOM 321 CA LEU A 23 -2.090 -5.058 27.074 1.00 0.00 C ATOM 322 C LEU A 23 -2.619 -5.062 25.643 1.00 0.00 C ATOM 323 O LEU A 23 -3.010 -4.023 25.111 1.00 0.00 O ATOM 324 CB LEU A 23 -0.601 -5.407 27.080 1.00 0.00 C ATOM 325 CG LEU A 23 0.267 -4.665 26.063 1.00 0.00 C ATOM 326 CD1 LEU A 23 0.381 -3.194 26.432 1.00 0.00 C ATOM 327 CD2 LEU A 23 1.646 -5.302 25.973 1.00 0.00 C ATOM 0 H LEU A 23 -2.261 -6.726 28.333 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.224 -4.059 27.489 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.206 -5.210 28.077 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.499 -6.478 26.902 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.209 -4.738 25.085 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.002 -2.682 25.697 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.612 -2.744 26.445 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.834 -3.101 27.419 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.250 -4.761 25.245 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.130 -5.260 26.949 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.547 -6.342 25.661 1.00 0.00 H new ATOM 339 N LYS A 24 -2.629 -6.238 25.025 1.00 0.00 N ATOM 340 CA LYS A 24 -3.113 -6.380 23.657 1.00 0.00 C ATOM 341 C LYS A 24 -4.442 -5.654 23.472 1.00 0.00 C ATOM 342 O LYS A 24 -4.558 -4.754 22.640 1.00 0.00 O ATOM 343 CB LYS A 24 -3.275 -7.860 23.303 1.00 0.00 C ATOM 344 CG LYS A 24 -1.965 -8.628 23.285 1.00 0.00 C ATOM 345 CD LYS A 24 -2.194 -10.117 23.083 1.00 0.00 C ATOM 346 CE LYS A 24 -1.006 -10.934 23.568 1.00 0.00 C ATOM 347 NZ LYS A 24 0.167 -10.799 22.661 1.00 0.00 N ATOM 0 H LYS A 24 -2.307 -7.107 25.450 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.378 -5.931 22.989 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.949 -8.325 24.022 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.748 -7.941 22.324 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.329 -8.245 22.487 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.433 -8.465 24.222 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.092 -10.424 23.619 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.369 -10.319 22.026 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.728 -10.611 24.571 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.292 -11.984 23.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.956 -11.371 23.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.090 -11.131 21.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.456 -9.801 22.613 1.00 0.00 H new ATOM 361 N VAL A 25 -5.442 -6.050 24.253 1.00 0.00 N ATOM 362 CA VAL A 25 -6.761 -5.435 24.176 1.00 0.00 C ATOM 363 C VAL A 25 -6.666 -3.916 24.270 1.00 0.00 C ATOM 364 O VAL A 25 -7.417 -3.195 23.614 1.00 0.00 O ATOM 365 CB VAL A 25 -7.687 -5.950 25.295 1.00 0.00 C ATOM 366 CG1 VAL A 25 -9.039 -5.257 25.231 1.00 0.00 C ATOM 367 CG2 VAL A 25 -7.847 -7.460 25.199 1.00 0.00 C ATOM 0 H VAL A 25 -5.363 -6.794 24.946 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.182 -5.711 23.209 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.232 -5.716 26.257 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.679 -5.634 26.029 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.903 -4.182 25.352 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.505 -5.458 24.266 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.504 -7.808 25.996 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.280 -7.719 24.233 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.872 -7.936 25.299 1.00 0.00 H new ATOM 377 N HIS A 26 -5.737 -3.437 25.091 1.00 0.00 N ATOM 378 CA HIS A 26 -5.542 -2.002 25.270 1.00 0.00 C ATOM 379 C HIS A 26 -4.945 -1.374 24.014 1.00 0.00 C ATOM 380 O HIS A 26 -5.529 -0.465 23.426 1.00 0.00 O ATOM 381 CB HIS A 26 -4.632 -1.736 26.469 1.00 0.00 C ATOM 382 CG HIS A 26 -3.802 -0.497 26.328 1.00 0.00 C ATOM 383 ND1 HIS A 26 -4.202 0.735 26.800 1.00 0.00 N ATOM 384 CD2 HIS A 26 -2.586 -0.306 25.765 1.00 0.00 C ATOM 385 CE1 HIS A 26 -3.270 1.631 26.531 1.00 0.00 C ATOM 386 NE2 HIS A 26 -2.278 1.025 25.904 1.00 0.00 N ATOM 0 H HIS A 26 -5.108 -4.020 25.642 1.00 0.00 H new ATOM 0 HA HIS A 26 -6.516 -1.548 25.454 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -5.244 -1.653 27.368 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.972 -2.592 26.610 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -5.081 0.925 27.282 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.972 -1.060 25.294 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.312 2.681 26.781 1.00 0.00 H new ATOM 394 N ASN A 27 -3.778 -1.865 23.610 1.00 0.00 N ATOM 395 CA ASN A 27 -3.102 -1.350 22.425 1.00 0.00 C ATOM 396 C ASN A 27 -4.112 -0.925 21.364 1.00 0.00 C ATOM 397 O ASN A 27 -3.966 0.126 20.739 1.00 0.00 O ATOM 398 CB ASN A 27 -2.158 -2.409 21.851 1.00 0.00 C ATOM 399 CG ASN A 27 -1.937 -2.239 20.360 1.00 0.00 C ATOM 400 OD1 ASN A 27 -2.892 -2.703 19.563 1.00 0.00 O flip ATOM 401 ND2 ASN A 27 -0.918 -1.696 19.930 1.00 0.00 N flip ATOM 0 H ASN A 27 -3.281 -2.618 24.085 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.521 -0.476 22.719 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.199 -2.355 22.366 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.568 -3.400 22.044 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.210 -1.354 20.579 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.783 -1.588 18.925 1.00 0.00 H new ATOM 543 N PHE A 36 -10.991 -0.213 6.697 1.00 0.00 N ATOM 544 CA PHE A 36 -11.288 -1.245 5.711 1.00 0.00 C ATOM 545 C PHE A 36 -10.293 -2.398 5.815 1.00 0.00 C ATOM 546 O PHE A 36 -9.107 -2.186 6.063 1.00 0.00 O ATOM 547 CB PHE A 36 -11.258 -0.656 4.300 1.00 0.00 C ATOM 548 CG PHE A 36 -12.196 0.502 4.113 1.00 0.00 C ATOM 549 CD1 PHE A 36 -11.807 1.788 4.451 1.00 0.00 C ATOM 550 CD2 PHE A 36 -13.468 0.304 3.600 1.00 0.00 C ATOM 551 CE1 PHE A 36 -12.668 2.856 4.280 1.00 0.00 C ATOM 552 CE2 PHE A 36 -14.333 1.368 3.427 1.00 0.00 C ATOM 553 CZ PHE A 36 -13.933 2.645 3.769 1.00 0.00 C ATOM 0 HA PHE A 36 -12.287 -1.631 5.914 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.243 -0.331 4.072 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.511 -1.437 3.583 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -10.819 1.958 4.853 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -13.787 -0.693 3.332 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -12.352 3.854 4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -15.321 1.201 3.025 1.00 0.00 H new ATOM 0 HZ PHE A 36 -14.609 3.477 3.637 1.00 0.00 H new ATOM 563 N GLU A 37 -10.787 -3.617 5.623 1.00 0.00 N ATOM 564 CA GLU A 37 -9.942 -4.803 5.696 1.00 0.00 C ATOM 565 C GLU A 37 -10.395 -5.857 4.690 1.00 0.00 C ATOM 566 O GLU A 37 -11.527 -5.825 4.207 1.00 0.00 O ATOM 567 CB GLU A 37 -9.967 -5.388 7.110 1.00 0.00 C ATOM 568 CG GLU A 37 -8.996 -6.539 7.310 1.00 0.00 C ATOM 569 CD GLU A 37 -9.103 -7.160 8.689 1.00 0.00 C ATOM 570 OE1 GLU A 37 -8.397 -6.690 9.607 1.00 0.00 O ATOM 571 OE2 GLU A 37 -9.891 -8.114 8.852 1.00 0.00 O ATOM 0 H GLU A 37 -11.767 -3.809 5.416 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.922 -4.506 5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.734 -4.599 7.825 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.977 -5.733 7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.184 -7.303 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.978 -6.182 7.155 1.00 0.00 H new ATOM 578 N CYS A 38 -9.502 -6.790 4.378 1.00 0.00 N ATOM 579 CA CYS A 38 -9.808 -7.854 3.428 1.00 0.00 C ATOM 580 C CYS A 38 -10.622 -8.959 4.094 1.00 0.00 C ATOM 581 O CYS A 38 -10.141 -9.678 4.970 1.00 0.00 O ATOM 582 CB CYS A 38 -8.516 -8.435 2.849 1.00 0.00 C ATOM 583 SG CYS A 38 -8.728 -9.253 1.235 1.00 0.00 S ATOM 0 H CYS A 38 -8.561 -6.831 4.769 1.00 0.00 H new ATOM 0 HA CYS A 38 -10.401 -7.427 2.619 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.784 -7.634 2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.104 -9.154 3.557 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.179 -10.431 1.270 1.00 0.00 H new ATOM 588 N PRO A 39 -11.887 -9.100 3.669 1.00 0.00 N ATOM 589 CA PRO A 39 -12.795 -10.116 4.209 1.00 0.00 C ATOM 590 C PRO A 39 -12.396 -11.528 3.796 1.00 0.00 C ATOM 591 O PRO A 39 -13.063 -12.501 4.149 1.00 0.00 O ATOM 592 CB PRO A 39 -14.148 -9.742 3.598 1.00 0.00 C ATOM 593 CG PRO A 39 -13.809 -9.010 2.345 1.00 0.00 C ATOM 594 CD PRO A 39 -12.527 -8.278 2.628 1.00 0.00 C ATOM 0 HA PRO A 39 -12.792 -10.128 5.299 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.746 -10.629 3.389 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.730 -9.118 4.276 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.688 -9.700 1.510 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.603 -8.315 2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.903 -8.201 1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.713 -7.262 2.976 1.00 0.00 H new ATOM 602 N LYS A 40 -11.304 -11.635 3.047 1.00 0.00 N ATOM 603 CA LYS A 40 -10.814 -12.929 2.588 1.00 0.00 C ATOM 604 C LYS A 40 -9.666 -13.418 3.464 1.00 0.00 C ATOM 605 O LYS A 40 -9.592 -14.599 3.807 1.00 0.00 O ATOM 606 CB LYS A 40 -10.354 -12.835 1.131 1.00 0.00 C ATOM 607 CG LYS A 40 -11.443 -12.374 0.178 1.00 0.00 C ATOM 608 CD LYS A 40 -12.218 -13.549 -0.393 1.00 0.00 C ATOM 609 CE LYS A 40 -13.439 -13.876 0.454 1.00 0.00 C ATOM 610 NZ LYS A 40 -14.306 -14.898 -0.194 1.00 0.00 N ATOM 0 H LYS A 40 -10.741 -10.840 2.745 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.632 -13.646 2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.512 -12.145 1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.991 -13.811 0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.127 -11.706 0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.998 -11.801 -0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.531 -13.319 -1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.568 -14.422 -0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.117 -14.239 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.016 -12.967 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.127 -15.093 0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.634 -14.542 -1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.764 -15.774 -0.335 1.00 0.00 H new ATOM 624 N CYS A 41 -8.772 -12.504 3.825 1.00 0.00 N ATOM 625 CA CYS A 41 -7.627 -12.841 4.663 1.00 0.00 C ATOM 626 C CYS A 41 -7.645 -12.036 5.959 1.00 0.00 C ATOM 627 O CYS A 41 -7.343 -12.558 7.031 1.00 0.00 O ATOM 628 CB CYS A 41 -6.322 -12.584 3.907 1.00 0.00 C ATOM 629 SG CYS A 41 -6.121 -10.866 3.335 1.00 0.00 S ATOM 0 H CYS A 41 -8.818 -11.523 3.550 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.691 -13.900 4.914 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.483 -12.841 4.554 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.276 -13.250 3.046 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.818 -10.862 2.071 1.00 0.00 H new ATOM 634 N GLY A 42 -8.002 -10.760 5.851 1.00 0.00 N ATOM 635 CA GLY A 42 -8.053 -9.902 7.021 1.00 0.00 C ATOM 636 C GLY A 42 -6.935 -8.879 7.039 1.00 0.00 C ATOM 637 O GLY A 42 -6.436 -8.512 8.103 1.00 0.00 O ATOM 0 H GLY A 42 -8.257 -10.305 4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.013 -9.387 7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.995 -10.515 7.920 1.00 0.00 H new ATOM 641 N LYS A 43 -6.538 -8.418 5.858 1.00 0.00 N ATOM 642 CA LYS A 43 -5.472 -7.431 5.741 1.00 0.00 C ATOM 643 C LYS A 43 -6.043 -6.019 5.660 1.00 0.00 C ATOM 644 O LYS A 43 -6.682 -5.653 4.673 1.00 0.00 O ATOM 645 CB LYS A 43 -4.617 -7.717 4.504 1.00 0.00 C ATOM 646 CG LYS A 43 -3.165 -7.300 4.658 1.00 0.00 C ATOM 647 CD LYS A 43 -2.944 -5.868 4.199 1.00 0.00 C ATOM 648 CE LYS A 43 -1.689 -5.273 4.816 1.00 0.00 C ATOM 649 NZ LYS A 43 -1.928 -4.790 6.205 1.00 0.00 N ATOM 0 H LYS A 43 -6.939 -8.713 4.968 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.848 -7.501 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.658 -8.784 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.047 -7.197 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.866 -7.399 5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.530 -7.971 4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.864 -5.841 3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.807 -5.260 4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.898 -6.023 4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.338 -4.446 4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.120 -4.214 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.793 -4.213 6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.038 -5.605 6.842 1.00 0.00 H new ATOM 663 N CYS A 44 -5.808 -5.230 6.704 1.00 0.00 N ATOM 664 CA CYS A 44 -6.299 -3.858 6.751 1.00 0.00 C ATOM 665 C CYS A 44 -5.594 -2.992 5.712 1.00 0.00 C ATOM 666 O CYS A 44 -4.498 -3.320 5.257 1.00 0.00 O ATOM 667 CB CYS A 44 -6.095 -3.268 8.147 1.00 0.00 C ATOM 668 SG CYS A 44 -6.906 -4.200 9.467 1.00 0.00 S ATOM 0 H CYS A 44 -5.281 -5.518 7.528 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.365 -3.872 6.523 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.026 -3.218 8.356 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.470 -2.245 8.156 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.387 -5.307 8.984 1.00 0.00 H new ATOM 674 N TYR A 45 -6.230 -1.887 5.340 1.00 0.00 N ATOM 675 CA TYR A 45 -5.666 -0.976 4.351 1.00 0.00 C ATOM 676 C TYR A 45 -6.120 0.457 4.610 1.00 0.00 C ATOM 677 O TYR A 45 -7.239 0.695 5.064 1.00 0.00 O ATOM 678 CB TYR A 45 -6.073 -1.405 2.940 1.00 0.00 C ATOM 679 CG TYR A 45 -5.163 -2.453 2.340 1.00 0.00 C ATOM 680 CD1 TYR A 45 -3.834 -2.166 2.055 1.00 0.00 C ATOM 681 CD2 TYR A 45 -5.633 -3.730 2.057 1.00 0.00 C ATOM 682 CE1 TYR A 45 -2.999 -3.120 1.506 1.00 0.00 C ATOM 683 CE2 TYR A 45 -4.805 -4.690 1.510 1.00 0.00 C ATOM 684 CZ TYR A 45 -3.489 -4.381 1.236 1.00 0.00 C ATOM 685 OH TYR A 45 -2.662 -5.335 0.689 1.00 0.00 O ATOM 0 H TYR A 45 -7.137 -1.600 5.709 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.580 -1.015 4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.091 -1.792 2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.082 -0.529 2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.447 -1.180 2.266 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.663 -3.976 2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.969 -2.880 1.289 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.186 -5.678 1.298 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.122 -6.200 0.679 1.00 0.00 H new ATOM 695 N PHE A 46 -5.242 1.411 4.316 1.00 0.00 N ATOM 696 CA PHE A 46 -5.550 2.822 4.516 1.00 0.00 C ATOM 697 C PHE A 46 -6.732 3.249 3.651 1.00 0.00 C ATOM 698 O PHE A 46 -7.720 3.786 4.152 1.00 0.00 O ATOM 699 CB PHE A 46 -4.328 3.684 4.192 1.00 0.00 C ATOM 700 CG PHE A 46 -4.567 5.156 4.375 1.00 0.00 C ATOM 701 CD1 PHE A 46 -5.213 5.630 5.505 1.00 0.00 C ATOM 702 CD2 PHE A 46 -4.145 6.064 3.418 1.00 0.00 C ATOM 703 CE1 PHE A 46 -5.434 6.984 5.678 1.00 0.00 C ATOM 704 CE2 PHE A 46 -4.362 7.419 3.585 1.00 0.00 C ATOM 705 CZ PHE A 46 -5.009 7.879 4.716 1.00 0.00 C ATOM 0 H PHE A 46 -4.312 1.232 3.938 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.819 2.964 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.498 3.377 4.828 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.025 3.499 3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.548 4.934 6.260 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.641 5.709 2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.938 7.341 6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.026 8.117 2.832 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.182 8.937 4.847 1.00 0.00 H new ATOM 715 N ARG A 47 -6.622 3.006 2.349 1.00 0.00 N ATOM 716 CA ARG A 47 -7.680 3.366 1.413 1.00 0.00 C ATOM 717 C ARG A 47 -8.348 2.119 0.840 1.00 0.00 C ATOM 718 O ARG A 47 -7.720 1.068 0.715 1.00 0.00 O ATOM 719 CB ARG A 47 -7.116 4.222 0.277 1.00 0.00 C ATOM 720 CG ARG A 47 -6.723 5.626 0.709 1.00 0.00 C ATOM 721 CD ARG A 47 -7.939 6.530 0.836 1.00 0.00 C ATOM 722 NE ARG A 47 -7.580 7.944 0.755 1.00 0.00 N ATOM 723 CZ ARG A 47 -8.411 8.932 1.068 1.00 0.00 C ATOM 724 NH1 ARG A 47 -9.642 8.662 1.481 1.00 0.00 N ATOM 725 NH2 ARG A 47 -8.011 10.193 0.970 1.00 0.00 N ATOM 0 H ARG A 47 -5.811 2.561 1.919 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.429 3.942 1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.243 3.723 -0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.858 4.290 -0.518 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.200 5.581 1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.027 6.050 -0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.652 6.291 0.047 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.437 6.336 1.786 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.640 8.186 0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.953 7.694 1.559 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.278 9.423 1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.065 10.405 0.654 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.650 10.951 1.211 1.00 0.00 H new ATOM 739 N LYS A 48 -9.625 2.243 0.496 1.00 0.00 N ATOM 740 CA LYS A 48 -10.379 1.128 -0.063 1.00 0.00 C ATOM 741 C LYS A 48 -9.702 0.589 -1.320 1.00 0.00 C ATOM 742 O LYS A 48 -9.423 -0.605 -1.421 1.00 0.00 O ATOM 743 CB LYS A 48 -11.809 1.565 -0.389 1.00 0.00 C ATOM 744 CG LYS A 48 -12.800 0.415 -0.438 1.00 0.00 C ATOM 745 CD LYS A 48 -14.223 0.895 -0.208 1.00 0.00 C ATOM 746 CE LYS A 48 -15.233 0.003 -0.913 1.00 0.00 C ATOM 747 NZ LYS A 48 -16.631 0.320 -0.509 1.00 0.00 N ATOM 0 H LYS A 48 -10.160 3.106 0.595 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.409 0.333 0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.139 2.286 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.813 2.078 -1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.735 -0.082 -1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.538 -0.325 0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.434 0.911 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.326 1.918 -0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.131 0.121 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.017 -1.041 -0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -17.289 -0.310 -1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.736 0.183 0.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.846 1.309 -0.750 1.00 0.00 H new ATOM 761 N GLU A 49 -9.440 1.478 -2.273 1.00 0.00 N ATOM 762 CA GLU A 49 -8.795 1.090 -3.522 1.00 0.00 C ATOM 763 C GLU A 49 -7.728 0.026 -3.275 1.00 0.00 C ATOM 764 O GLU A 49 -7.798 -1.075 -3.820 1.00 0.00 O ATOM 765 CB GLU A 49 -8.167 2.310 -4.198 1.00 0.00 C ATOM 766 CG GLU A 49 -9.187 3.292 -4.749 1.00 0.00 C ATOM 767 CD GLU A 49 -9.585 4.349 -3.738 1.00 0.00 C ATOM 768 OE1 GLU A 49 -8.754 5.235 -3.446 1.00 0.00 O ATOM 769 OE2 GLU A 49 -10.728 4.291 -3.238 1.00 0.00 O ATOM 0 H GLU A 49 -9.664 2.471 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.556 0.671 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.530 2.826 -3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.523 1.973 -5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.777 3.778 -5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.075 2.747 -5.068 1.00 0.00 H new ATOM 776 N ASN A 50 -6.742 0.365 -2.452 1.00 0.00 N ATOM 777 CA ASN A 50 -5.660 -0.559 -2.134 1.00 0.00 C ATOM 778 C ASN A 50 -6.209 -1.934 -1.766 1.00 0.00 C ATOM 779 O ASN A 50 -5.718 -2.959 -2.241 1.00 0.00 O ATOM 780 CB ASN A 50 -4.814 -0.011 -0.982 1.00 0.00 C ATOM 781 CG ASN A 50 -4.287 1.382 -1.265 1.00 0.00 C ATOM 782 OD1 ASN A 50 -5.052 2.301 -1.557 1.00 0.00 O ATOM 783 ND2 ASN A 50 -2.971 1.545 -1.179 1.00 0.00 N ATOM 0 H ASN A 50 -6.670 1.273 -1.993 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.033 -0.662 -3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.413 0.008 -0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.976 -0.683 -0.798 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.558 2.460 -1.358 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.374 0.755 -0.934 1.00 0.00 H new ATOM 790 N LEU A 51 -7.232 -1.949 -0.918 1.00 0.00 N ATOM 791 CA LEU A 51 -7.850 -3.198 -0.486 1.00 0.00 C ATOM 792 C LEU A 51 -8.453 -3.945 -1.672 1.00 0.00 C ATOM 793 O LEU A 51 -8.196 -5.134 -1.866 1.00 0.00 O ATOM 794 CB LEU A 51 -8.931 -2.920 0.559 1.00 0.00 C ATOM 795 CG LEU A 51 -9.962 -4.030 0.770 1.00 0.00 C ATOM 796 CD1 LEU A 51 -9.389 -5.130 1.650 1.00 0.00 C ATOM 797 CD2 LEU A 51 -11.236 -3.465 1.381 1.00 0.00 C ATOM 0 H LEU A 51 -7.651 -1.110 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.076 -3.823 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.443 -2.719 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.459 -2.010 0.273 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.208 -4.461 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.136 -5.911 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.505 -5.554 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.114 -4.714 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.958 -4.269 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.006 -3.008 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.657 -2.713 0.714 1.00 0.00 H new ATOM 809 N LEU A 52 -9.254 -3.241 -2.463 1.00 0.00 N ATOM 810 CA LEU A 52 -9.892 -3.836 -3.632 1.00 0.00 C ATOM 811 C LEU A 52 -8.861 -4.509 -4.532 1.00 0.00 C ATOM 812 O LEU A 52 -9.043 -5.650 -4.954 1.00 0.00 O ATOM 813 CB LEU A 52 -10.655 -2.770 -4.420 1.00 0.00 C ATOM 814 CG LEU A 52 -11.959 -2.277 -3.793 1.00 0.00 C ATOM 815 CD1 LEU A 52 -12.443 -1.015 -4.490 1.00 0.00 C ATOM 816 CD2 LEU A 52 -13.024 -3.363 -3.854 1.00 0.00 C ATOM 0 H LEU A 52 -9.478 -2.257 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.594 -4.594 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.997 -1.913 -4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.879 -3.169 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.769 -2.040 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.372 -0.679 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.688 -0.235 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.616 -1.226 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.946 -2.995 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -13.211 -3.631 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.679 -4.242 -3.309 1.00 0.00 H new ATOM 828 N GLU A 53 -7.777 -3.795 -4.818 1.00 0.00 N ATOM 829 CA GLU A 53 -6.716 -4.325 -5.667 1.00 0.00 C ATOM 830 C GLU A 53 -6.139 -5.609 -5.078 1.00 0.00 C ATOM 831 O GLU A 53 -6.286 -6.689 -5.653 1.00 0.00 O ATOM 832 CB GLU A 53 -5.605 -3.287 -5.841 1.00 0.00 C ATOM 833 CG GLU A 53 -6.087 -1.974 -6.435 1.00 0.00 C ATOM 834 CD GLU A 53 -4.944 -1.068 -6.850 1.00 0.00 C ATOM 835 OE1 GLU A 53 -3.921 -1.036 -6.134 1.00 0.00 O ATOM 836 OE2 GLU A 53 -5.073 -0.390 -7.891 1.00 0.00 O ATOM 0 H GLU A 53 -7.610 -2.849 -4.475 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.146 -4.554 -6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.147 -3.091 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.828 -3.703 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.715 -2.180 -7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.710 -1.456 -5.706 1.00 0.00 H new ATOM 843 N HIS A 54 -5.482 -5.484 -3.930 1.00 0.00 N ATOM 844 CA HIS A 54 -4.882 -6.634 -3.263 1.00 0.00 C ATOM 845 C HIS A 54 -5.745 -7.879 -3.447 1.00 0.00 C ATOM 846 O HIS A 54 -5.231 -8.970 -3.692 1.00 0.00 O ATOM 847 CB HIS A 54 -4.694 -6.346 -1.773 1.00 0.00 C ATOM 848 CG HIS A 54 -4.765 -7.569 -0.912 1.00 0.00 C ATOM 849 ND1 HIS A 54 -3.647 -8.222 -0.439 1.00 0.00 N ATOM 850 CD2 HIS A 54 -5.830 -8.258 -0.438 1.00 0.00 C ATOM 851 CE1 HIS A 54 -4.021 -9.260 0.288 1.00 0.00 C ATOM 852 NE2 HIS A 54 -5.341 -9.304 0.304 1.00 0.00 N ATOM 0 H HIS A 54 -5.351 -4.598 -3.442 1.00 0.00 H new ATOM 0 HA HIS A 54 -3.908 -6.818 -3.715 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.728 -5.863 -1.624 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -5.458 -5.639 -1.449 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -2.682 -7.947 -0.622 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -6.871 -8.027 -0.612 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -3.360 -9.954 0.785 1.00 0.00 H new ATOM 860 N GLU A 55 -7.058 -7.708 -3.325 1.00 0.00 N ATOM 861 CA GLU A 55 -7.990 -8.818 -3.477 1.00 0.00 C ATOM 862 C GLU A 55 -7.871 -9.444 -4.864 1.00 0.00 C ATOM 863 O GLU A 55 -7.764 -10.662 -4.999 1.00 0.00 O ATOM 864 CB GLU A 55 -9.426 -8.344 -3.242 1.00 0.00 C ATOM 865 CG GLU A 55 -9.738 -8.049 -1.784 1.00 0.00 C ATOM 866 CD GLU A 55 -11.103 -7.417 -1.596 1.00 0.00 C ATOM 867 OE1 GLU A 55 -11.428 -6.471 -2.345 1.00 0.00 O ATOM 868 OE2 GLU A 55 -11.848 -7.868 -0.701 1.00 0.00 O ATOM 0 H GLU A 55 -7.499 -6.811 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.738 -9.574 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.604 -7.445 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.115 -9.106 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.689 -8.975 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.975 -7.383 -1.380 1.00 0.00 H new ATOM 875 N ALA A 56 -7.890 -8.600 -5.891 1.00 0.00 N ATOM 876 CA ALA A 56 -7.782 -9.069 -7.266 1.00 0.00 C ATOM 877 C ALA A 56 -6.348 -9.465 -7.601 1.00 0.00 C ATOM 878 O ALA A 56 -6.091 -10.582 -8.051 1.00 0.00 O ATOM 879 CB ALA A 56 -8.274 -7.998 -8.229 1.00 0.00 C ATOM 0 H ALA A 56 -7.979 -7.588 -5.796 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.409 -9.954 -7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.188 -8.362 -9.253 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.317 -7.766 -8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.670 -7.098 -8.112 1.00 0.00 H new ATOM 885 N ARG A 57 -5.417 -8.543 -7.378 1.00 0.00 N ATOM 886 CA ARG A 57 -4.009 -8.796 -7.658 1.00 0.00 C ATOM 887 C ARG A 57 -3.533 -10.062 -6.952 1.00 0.00 C ATOM 888 O ARG A 57 -3.115 -11.024 -7.596 1.00 0.00 O ATOM 889 CB ARG A 57 -3.157 -7.604 -7.219 1.00 0.00 C ATOM 890 CG ARG A 57 -1.673 -7.781 -7.493 1.00 0.00 C ATOM 891 CD ARG A 57 -1.266 -7.123 -8.802 1.00 0.00 C ATOM 892 NE ARG A 57 -1.927 -7.735 -9.951 1.00 0.00 N ATOM 893 CZ ARG A 57 -1.289 -8.097 -11.059 1.00 0.00 C ATOM 894 NH1 ARG A 57 0.019 -7.910 -11.166 1.00 0.00 N ATOM 895 NH2 ARG A 57 -1.961 -8.648 -12.062 1.00 0.00 N ATOM 0 H ARG A 57 -5.613 -7.614 -7.004 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.898 -8.937 -8.733 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.508 -6.709 -7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.303 -7.437 -6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.097 -7.351 -6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.433 -8.844 -7.528 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.511 -6.062 -8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.185 -7.196 -8.924 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.933 -7.893 -9.900 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.538 -7.487 -10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.506 -8.189 -12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.967 -8.794 -11.982 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.471 -8.926 -12.912 1.00 0.00 H new ATOM 909 N ASN A 58 -3.600 -10.054 -5.625 1.00 0.00 N ATOM 910 CA ASN A 58 -3.175 -11.201 -4.831 1.00 0.00 C ATOM 911 C ASN A 58 -3.620 -11.053 -3.379 1.00 0.00 C ATOM 912 O ASN A 58 -3.315 -10.057 -2.723 1.00 0.00 O ATOM 913 CB ASN A 58 -1.654 -11.358 -4.896 1.00 0.00 C ATOM 914 CG ASN A 58 -1.202 -12.104 -6.136 1.00 0.00 C ATOM 915 OD1 ASN A 58 -0.457 -11.570 -6.958 1.00 0.00 O ATOM 916 ND2 ASN A 58 -1.652 -13.345 -6.276 1.00 0.00 N ATOM 0 H ASN A 58 -3.945 -9.266 -5.077 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.644 -12.093 -5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.189 -10.372 -4.879 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.308 -11.889 -4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.382 -13.897 -7.090 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.268 -13.747 -5.569 1.00 0.00 H new ATOM 1031 N VAL A 66 8.858 -13.586 -9.333 1.00 0.00 N ATOM 1032 CA VAL A 66 9.350 -12.680 -10.365 1.00 0.00 C ATOM 1033 C VAL A 66 8.352 -12.559 -11.511 1.00 0.00 C ATOM 1034 O VAL A 66 7.396 -13.329 -11.600 1.00 0.00 O ATOM 1035 CB VAL A 66 10.704 -13.152 -10.926 1.00 0.00 C ATOM 1036 CG1 VAL A 66 11.782 -13.077 -9.855 1.00 0.00 C ATOM 1037 CG2 VAL A 66 10.589 -14.564 -11.480 1.00 0.00 C ATOM 0 HA VAL A 66 9.479 -11.705 -9.895 1.00 0.00 H new ATOM 0 HB VAL A 66 10.990 -12.488 -11.742 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.732 -13.415 -10.270 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.882 -12.048 -9.511 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.506 -13.715 -9.016 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.555 -14.881 -11.872 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.280 -15.243 -10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.849 -14.582 -12.280 1.00 0.00 H new ATOM 1047 N PHE A 67 8.580 -11.586 -12.387 1.00 0.00 N ATOM 1048 CA PHE A 67 7.701 -11.363 -13.528 1.00 0.00 C ATOM 1049 C PHE A 67 8.462 -11.521 -14.841 1.00 0.00 C ATOM 1050 O PHE A 67 9.654 -11.222 -14.922 1.00 0.00 O ATOM 1051 CB PHE A 67 7.076 -9.968 -13.453 1.00 0.00 C ATOM 1052 CG PHE A 67 6.224 -9.758 -12.234 1.00 0.00 C ATOM 1053 CD1 PHE A 67 6.803 -9.620 -10.983 1.00 0.00 C ATOM 1054 CD2 PHE A 67 4.844 -9.699 -12.339 1.00 0.00 C ATOM 1055 CE1 PHE A 67 6.022 -9.426 -9.859 1.00 0.00 C ATOM 1056 CE2 PHE A 67 4.058 -9.505 -11.219 1.00 0.00 C ATOM 1057 CZ PHE A 67 4.647 -9.370 -9.978 1.00 0.00 C ATOM 0 H PHE A 67 9.367 -10.939 -12.328 1.00 0.00 H new ATOM 0 HA PHE A 67 6.909 -12.111 -13.495 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.870 -9.222 -13.464 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.470 -9.802 -14.343 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.878 -9.665 -10.885 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.377 -9.806 -13.307 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.486 -9.318 -8.890 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.983 -9.459 -11.315 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.034 -9.221 -9.102 1.00 0.00 H new ATOM 1067 N THR A 68 7.765 -11.995 -15.869 1.00 0.00 N ATOM 1068 CA THR A 68 8.374 -12.195 -17.178 1.00 0.00 C ATOM 1069 C THR A 68 7.833 -11.197 -18.195 1.00 0.00 C ATOM 1070 O THR A 68 6.621 -11.082 -18.382 1.00 0.00 O ATOM 1071 CB THR A 68 8.131 -13.625 -17.698 1.00 0.00 C ATOM 1072 OG1 THR A 68 8.702 -14.578 -16.796 1.00 0.00 O ATOM 1073 CG2 THR A 68 8.732 -13.806 -19.084 1.00 0.00 C ATOM 0 H THR A 68 6.778 -12.248 -15.820 1.00 0.00 H new ATOM 0 HA THR A 68 9.446 -12.038 -17.055 1.00 0.00 H new ATOM 0 HB THR A 68 7.055 -13.787 -17.762 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.542 -15.484 -17.133 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.548 -14.823 -19.430 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.273 -13.099 -19.775 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.806 -13.626 -19.041 1.00 0.00 H new ATOM 1081 N CYS A 69 8.738 -10.478 -18.851 1.00 0.00 N ATOM 1082 CA CYS A 69 8.351 -9.489 -19.850 1.00 0.00 C ATOM 1083 C CYS A 69 7.373 -10.087 -20.857 1.00 0.00 C ATOM 1084 O CYS A 69 7.053 -11.274 -20.798 1.00 0.00 O ATOM 1085 CB CYS A 69 9.588 -8.959 -20.578 1.00 0.00 C ATOM 1086 SG CYS A 69 9.368 -7.304 -21.307 1.00 0.00 S ATOM 0 H CYS A 69 9.745 -10.562 -18.709 1.00 0.00 H new ATOM 0 HA CYS A 69 7.858 -8.664 -19.336 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.423 -8.928 -19.878 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.860 -9.659 -21.368 1.00 0.00 H new ATOM 0 HG CYS A 69 9.755 -7.321 -22.548 1.00 0.00 H new ATOM 1091 N SER A 70 6.901 -9.256 -21.781 1.00 0.00 N ATOM 1092 CA SER A 70 5.957 -9.701 -22.799 1.00 0.00 C ATOM 1093 C SER A 70 6.559 -9.568 -24.194 1.00 0.00 C ATOM 1094 O SER A 70 5.890 -9.812 -25.198 1.00 0.00 O ATOM 1095 CB SER A 70 4.661 -8.892 -22.711 1.00 0.00 C ATOM 1096 OG SER A 70 4.224 -8.774 -21.368 1.00 0.00 O ATOM 0 H SER A 70 7.157 -8.271 -21.845 1.00 0.00 H new ATOM 0 HA SER A 70 5.734 -10.752 -22.618 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.818 -7.900 -23.134 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.887 -9.374 -23.308 1.00 0.00 H new ATOM 0 HG SER A 70 3.395 -8.252 -21.338 1.00 0.00 H new ATOM 1102 N VAL A 71 7.829 -9.177 -24.249 1.00 0.00 N ATOM 1103 CA VAL A 71 8.523 -9.012 -25.520 1.00 0.00 C ATOM 1104 C VAL A 71 9.841 -9.779 -25.531 1.00 0.00 C ATOM 1105 O VAL A 71 10.146 -10.498 -26.483 1.00 0.00 O ATOM 1106 CB VAL A 71 8.805 -7.527 -25.817 1.00 0.00 C ATOM 1107 CG1 VAL A 71 9.556 -7.378 -27.131 1.00 0.00 C ATOM 1108 CG2 VAL A 71 7.507 -6.734 -25.842 1.00 0.00 C ATOM 0 H VAL A 71 8.397 -8.969 -23.428 1.00 0.00 H new ATOM 0 HA VAL A 71 7.866 -9.412 -26.293 1.00 0.00 H new ATOM 0 HB VAL A 71 9.433 -7.128 -25.021 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.746 -6.322 -27.324 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.504 -7.912 -27.071 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.957 -7.793 -27.942 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.724 -5.687 -26.053 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.852 -7.132 -26.617 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.013 -6.814 -24.874 1.00 0.00 H new ATOM 1118 N CYS A 72 10.619 -9.623 -24.465 1.00 0.00 N ATOM 1119 CA CYS A 72 11.904 -10.301 -24.350 1.00 0.00 C ATOM 1120 C CYS A 72 11.878 -11.327 -23.221 1.00 0.00 C ATOM 1121 O CYS A 72 12.869 -12.013 -22.971 1.00 0.00 O ATOM 1122 CB CYS A 72 13.020 -9.284 -24.103 1.00 0.00 C ATOM 1123 SG CYS A 72 12.833 -8.333 -22.561 1.00 0.00 S ATOM 0 H CYS A 72 10.381 -9.032 -23.668 1.00 0.00 H new ATOM 0 HA CYS A 72 12.097 -10.822 -25.288 1.00 0.00 H new ATOM 0 HB2 CYS A 72 13.976 -9.808 -24.080 1.00 0.00 H new ATOM 0 HB3 CYS A 72 13.057 -8.590 -24.943 1.00 0.00 H new ATOM 0 HG CYS A 72 11.571 -8.120 -22.333 1.00 0.00 H new ATOM 1128 N GLN A 73 10.739 -11.427 -22.545 1.00 0.00 N ATOM 1129 CA GLN A 73 10.584 -12.369 -21.443 1.00 0.00 C ATOM 1130 C GLN A 73 11.619 -12.107 -20.353 1.00 0.00 C ATOM 1131 O GLN A 73 12.105 -13.037 -19.710 1.00 0.00 O ATOM 1132 CB GLN A 73 10.714 -13.806 -21.951 1.00 0.00 C ATOM 1133 CG GLN A 73 9.833 -14.109 -23.152 1.00 0.00 C ATOM 1134 CD GLN A 73 8.439 -13.528 -23.015 1.00 0.00 C ATOM 1135 OE1 GLN A 73 8.253 -12.311 -23.512 1.00 0.00 O flip ATOM 1136 NE2 GLN A 73 7.540 -14.166 -22.467 1.00 0.00 N flip ATOM 0 H GLN A 73 9.909 -10.867 -22.741 1.00 0.00 H new ATOM 0 HA GLN A 73 9.591 -12.230 -21.016 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.754 -13.996 -22.217 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.461 -14.492 -21.143 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.302 -13.710 -24.052 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.761 -15.189 -23.282 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.728 -15.099 -22.099 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.607 -13.762 -22.381 1.00 0.00 H new ATOM 1145 N GLU A 74 11.951 -10.836 -20.153 1.00 0.00 N ATOM 1146 CA GLU A 74 12.929 -10.453 -19.141 1.00 0.00 C ATOM 1147 C GLU A 74 12.507 -10.949 -17.761 1.00 0.00 C ATOM 1148 O GLU A 74 11.502 -11.646 -17.619 1.00 0.00 O ATOM 1149 CB GLU A 74 13.102 -8.933 -19.117 1.00 0.00 C ATOM 1150 CG GLU A 74 14.525 -8.487 -18.825 1.00 0.00 C ATOM 1151 CD GLU A 74 15.562 -9.393 -19.460 1.00 0.00 C ATOM 1152 OE1 GLU A 74 15.923 -10.412 -18.836 1.00 0.00 O ATOM 1153 OE2 GLU A 74 16.013 -9.082 -20.583 1.00 0.00 O ATOM 0 H GLU A 74 11.558 -10.054 -20.677 1.00 0.00 H new ATOM 0 HA GLU A 74 13.881 -10.916 -19.399 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.793 -8.525 -20.079 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.436 -8.512 -18.364 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.665 -7.469 -19.190 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.680 -8.463 -17.746 1.00 0.00 H new ATOM 1160 N THR A 75 13.284 -10.586 -16.745 1.00 0.00 N ATOM 1161 CA THR A 75 12.994 -10.995 -15.377 1.00 0.00 C ATOM 1162 C THR A 75 12.924 -9.790 -14.446 1.00 0.00 C ATOM 1163 O THR A 75 13.876 -9.014 -14.346 1.00 0.00 O ATOM 1164 CB THR A 75 14.055 -11.978 -14.847 1.00 0.00 C ATOM 1165 OG1 THR A 75 15.368 -11.481 -15.131 1.00 0.00 O ATOM 1166 CG2 THR A 75 13.880 -13.352 -15.475 1.00 0.00 C ATOM 0 H THR A 75 14.119 -10.009 -16.844 1.00 0.00 H new ATOM 0 HA THR A 75 12.025 -11.494 -15.395 1.00 0.00 H new ATOM 0 HB THR A 75 13.928 -12.070 -13.768 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.357 -10.501 -15.115 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.640 -14.029 -15.086 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.890 -13.739 -15.233 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.984 -13.273 -16.557 1.00 0.00 H new ATOM 1174 N PHE A 76 11.793 -9.638 -13.765 1.00 0.00 N ATOM 1175 CA PHE A 76 11.600 -8.526 -12.842 1.00 0.00 C ATOM 1176 C PHE A 76 11.100 -9.024 -11.489 1.00 0.00 C ATOM 1177 O PHE A 76 10.016 -9.600 -11.389 1.00 0.00 O ATOM 1178 CB PHE A 76 10.608 -7.517 -13.425 1.00 0.00 C ATOM 1179 CG PHE A 76 10.842 -7.218 -14.878 1.00 0.00 C ATOM 1180 CD1 PHE A 76 10.303 -8.031 -15.862 1.00 0.00 C ATOM 1181 CD2 PHE A 76 11.602 -6.124 -15.260 1.00 0.00 C ATOM 1182 CE1 PHE A 76 10.517 -7.759 -17.200 1.00 0.00 C ATOM 1183 CE2 PHE A 76 11.819 -5.847 -16.597 1.00 0.00 C ATOM 1184 CZ PHE A 76 11.276 -6.665 -17.568 1.00 0.00 C ATOM 0 H PHE A 76 10.996 -10.271 -13.835 1.00 0.00 H new ATOM 0 HA PHE A 76 12.563 -8.036 -12.697 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.596 -7.901 -13.300 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.670 -6.589 -12.857 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.709 -8.887 -15.580 1.00 0.00 H new ATOM 0 HD2 PHE A 76 12.029 -5.481 -14.505 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.091 -8.401 -17.957 1.00 0.00 H new ATOM 0 HE2 PHE A 76 12.413 -4.991 -16.882 1.00 0.00 H new ATOM 0 HZ PHE A 76 11.444 -6.450 -18.613 1.00 0.00 H new ATOM 1194 N ARG A 77 11.897 -8.797 -10.450 1.00 0.00 N ATOM 1195 CA ARG A 77 11.537 -9.224 -9.103 1.00 0.00 C ATOM 1196 C ARG A 77 10.143 -8.728 -8.730 1.00 0.00 C ATOM 1197 O ARG A 77 9.411 -9.396 -8.000 1.00 0.00 O ATOM 1198 CB ARG A 77 12.562 -8.707 -8.091 1.00 0.00 C ATOM 1199 CG ARG A 77 12.620 -7.191 -8.003 1.00 0.00 C ATOM 1200 CD ARG A 77 13.445 -6.599 -9.134 1.00 0.00 C ATOM 1201 NE ARG A 77 13.939 -5.263 -8.810 1.00 0.00 N ATOM 1202 CZ ARG A 77 14.908 -5.031 -7.931 1.00 0.00 C ATOM 1203 NH1 ARG A 77 15.484 -6.040 -7.293 1.00 0.00 N ATOM 1204 NH2 ARG A 77 15.303 -3.788 -7.690 1.00 0.00 N ATOM 0 H ARG A 77 12.796 -8.320 -10.515 1.00 0.00 H new ATOM 0 HA ARG A 77 11.533 -10.314 -9.082 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.324 -9.111 -7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.548 -9.085 -8.360 1.00 0.00 H new ATOM 0 HG2 ARG A 77 11.609 -6.785 -8.037 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.050 -6.897 -7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.288 -7.255 -9.349 1.00 0.00 H new ATOM 0 HD3 ARG A 77 12.839 -6.552 -10.039 1.00 0.00 H new ATOM 0 HE ARG A 77 13.517 -4.465 -9.284 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.184 -6.997 -7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.228 -5.859 -6.619 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.863 -3.009 -8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 77 16.047 -3.611 -7.015 1.00 0.00 H new ATOM 1218 N ARG A 78 9.784 -7.553 -9.236 1.00 0.00 N ATOM 1219 CA ARG A 78 8.479 -6.967 -8.955 1.00 0.00 C ATOM 1220 C ARG A 78 7.726 -6.671 -10.248 1.00 0.00 C ATOM 1221 O ARG A 78 8.308 -6.679 -11.333 1.00 0.00 O ATOM 1222 CB ARG A 78 8.638 -5.682 -8.139 1.00 0.00 C ATOM 1223 CG ARG A 78 9.207 -5.910 -6.748 1.00 0.00 C ATOM 1224 CD ARG A 78 9.613 -4.600 -6.091 1.00 0.00 C ATOM 1225 NE ARG A 78 9.569 -4.683 -4.633 1.00 0.00 N ATOM 1226 CZ ARG A 78 8.466 -4.491 -3.919 1.00 0.00 C ATOM 1227 NH1 ARG A 78 7.321 -4.207 -4.524 1.00 0.00 N ATOM 1228 NH2 ARG A 78 8.507 -4.584 -2.596 1.00 0.00 N ATOM 0 H ARG A 78 10.378 -6.988 -9.843 1.00 0.00 H new ATOM 0 HA ARG A 78 7.902 -7.688 -8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.289 -4.996 -8.681 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.667 -5.196 -8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.466 -6.415 -6.129 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.072 -6.570 -6.811 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.621 -4.332 -6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.950 -3.804 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 78 10.433 -4.900 -4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.286 -4.135 -5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.476 -4.060 -3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.386 -4.803 -2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.660 -4.436 -2.048 1.00 0.00 H new ATOM 1242 N ARG A 79 6.428 -6.410 -10.125 1.00 0.00 N ATOM 1243 CA ARG A 79 5.595 -6.113 -11.284 1.00 0.00 C ATOM 1244 C ARG A 79 5.900 -4.722 -11.831 1.00 0.00 C ATOM 1245 O ARG A 79 6.325 -4.574 -12.976 1.00 0.00 O ATOM 1246 CB ARG A 79 4.114 -6.214 -10.914 1.00 0.00 C ATOM 1247 CG ARG A 79 3.176 -5.810 -12.039 1.00 0.00 C ATOM 1248 CD ARG A 79 3.038 -6.916 -13.073 1.00 0.00 C ATOM 1249 NE ARG A 79 2.253 -6.489 -14.229 1.00 0.00 N ATOM 1250 CZ ARG A 79 1.596 -7.329 -15.022 1.00 0.00 C ATOM 1251 NH1 ARG A 79 1.629 -8.633 -14.785 1.00 0.00 N ATOM 1252 NH2 ARG A 79 0.904 -6.864 -16.054 1.00 0.00 N ATOM 0 H ARG A 79 5.931 -6.398 -9.234 1.00 0.00 H new ATOM 0 HA ARG A 79 5.820 -6.846 -12.059 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.892 -7.239 -10.617 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.921 -5.582 -10.047 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.195 -5.570 -11.628 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.550 -4.906 -12.519 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.028 -7.230 -13.403 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.565 -7.784 -12.614 1.00 0.00 H new ATOM 0 HE ARG A 79 2.207 -5.492 -14.439 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.160 -8.994 -13.992 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.124 -9.275 -15.395 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.876 -5.861 -16.239 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.400 -7.509 -16.662 1.00 0.00 H new ATOM 1266 N MET A 80 5.679 -3.705 -11.004 1.00 0.00 N ATOM 1267 CA MET A 80 5.930 -2.326 -11.404 1.00 0.00 C ATOM 1268 C MET A 80 7.156 -2.237 -12.308 1.00 0.00 C ATOM 1269 O MET A 80 7.117 -1.603 -13.361 1.00 0.00 O ATOM 1270 CB MET A 80 6.126 -1.442 -10.171 1.00 0.00 C ATOM 1271 CG MET A 80 6.606 -0.037 -10.500 1.00 0.00 C ATOM 1272 SD MET A 80 5.248 1.130 -10.707 1.00 0.00 S ATOM 1273 CE MET A 80 4.908 0.948 -12.456 1.00 0.00 C ATOM 0 H MET A 80 5.327 -3.811 -10.053 1.00 0.00 H new ATOM 0 HA MET A 80 5.063 -1.972 -11.961 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.184 -1.377 -9.627 1.00 0.00 H new ATOM 0 HB3 MET A 80 6.846 -1.916 -9.505 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.263 0.314 -9.704 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.199 -0.065 -11.414 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.697 1.926 -12.889 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.775 0.511 -12.952 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.045 0.297 -12.593 1.00 0.00 H new ATOM 1283 N GLU A 81 8.243 -2.877 -11.888 1.00 0.00 N ATOM 1284 CA GLU A 81 9.480 -2.869 -12.660 1.00 0.00 C ATOM 1285 C GLU A 81 9.209 -3.198 -14.125 1.00 0.00 C ATOM 1286 O GLU A 81 9.630 -2.469 -15.025 1.00 0.00 O ATOM 1287 CB GLU A 81 10.478 -3.871 -12.077 1.00 0.00 C ATOM 1288 CG GLU A 81 10.863 -3.579 -10.636 1.00 0.00 C ATOM 1289 CD GLU A 81 11.624 -2.275 -10.488 1.00 0.00 C ATOM 1290 OE1 GLU A 81 12.862 -2.288 -10.653 1.00 0.00 O ATOM 1291 OE2 GLU A 81 10.981 -1.242 -10.207 1.00 0.00 O ATOM 0 H GLU A 81 8.292 -3.407 -11.018 1.00 0.00 H new ATOM 0 HA GLU A 81 9.907 -1.868 -12.603 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.050 -4.872 -12.134 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.378 -3.873 -12.691 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.962 -3.541 -10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.474 -4.397 -10.254 1.00 0.00 H new ATOM 1298 N LEU A 82 8.505 -4.300 -14.357 1.00 0.00 N ATOM 1299 CA LEU A 82 8.178 -4.727 -15.713 1.00 0.00 C ATOM 1300 C LEU A 82 7.511 -3.599 -16.493 1.00 0.00 C ATOM 1301 O LEU A 82 7.747 -3.435 -17.690 1.00 0.00 O ATOM 1302 CB LEU A 82 7.259 -5.950 -15.676 1.00 0.00 C ATOM 1303 CG LEU A 82 6.539 -6.289 -16.981 1.00 0.00 C ATOM 1304 CD1 LEU A 82 7.544 -6.544 -18.094 1.00 0.00 C ATOM 1305 CD2 LEU A 82 5.631 -7.495 -16.792 1.00 0.00 C ATOM 0 H LEU A 82 8.150 -4.914 -13.624 1.00 0.00 H new ATOM 0 HA LEU A 82 9.107 -4.993 -16.218 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.851 -6.815 -15.376 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.509 -5.792 -14.901 1.00 0.00 H new ATOM 0 HG LEU A 82 5.922 -5.437 -17.265 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.013 -6.784 -19.015 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.152 -5.652 -18.247 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.188 -7.379 -17.818 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.127 -7.722 -17.731 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.227 -8.354 -16.483 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.888 -7.275 -16.025 1.00 0.00 H new ATOM 1317 N ARG A 83 6.679 -2.823 -15.807 1.00 0.00 N ATOM 1318 CA ARG A 83 5.978 -1.710 -16.435 1.00 0.00 C ATOM 1319 C ARG A 83 6.963 -0.641 -16.901 1.00 0.00 C ATOM 1320 O ARG A 83 6.860 -0.131 -18.017 1.00 0.00 O ATOM 1321 CB ARG A 83 4.969 -1.099 -15.461 1.00 0.00 C ATOM 1322 CG ARG A 83 4.049 -2.123 -14.816 1.00 0.00 C ATOM 1323 CD ARG A 83 2.989 -2.611 -15.790 1.00 0.00 C ATOM 1324 NE ARG A 83 1.817 -1.739 -15.807 1.00 0.00 N ATOM 1325 CZ ARG A 83 0.589 -2.164 -16.082 1.00 0.00 C ATOM 1326 NH1 ARG A 83 0.373 -3.441 -16.361 1.00 0.00 N ATOM 1327 NH2 ARG A 83 -0.426 -1.309 -16.077 1.00 0.00 N ATOM 0 H ARG A 83 6.474 -2.945 -14.815 1.00 0.00 H new ATOM 0 HA ARG A 83 5.445 -2.094 -17.305 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.509 -0.565 -14.679 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.365 -0.363 -15.991 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.637 -2.970 -14.462 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.567 -1.682 -13.943 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.415 -2.665 -16.792 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.685 -3.622 -15.518 1.00 0.00 H new ATOM 0 HE ARG A 83 1.949 -0.750 -15.596 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.151 -4.101 -16.365 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.571 -3.764 -16.572 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.263 -0.325 -15.862 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.369 -1.636 -16.288 1.00 0.00 H new ATOM 1341 N LEU A 84 7.917 -0.308 -16.039 1.00 0.00 N ATOM 1342 CA LEU A 84 8.921 0.701 -16.361 1.00 0.00 C ATOM 1343 C LEU A 84 9.891 0.184 -17.418 1.00 0.00 C ATOM 1344 O LEU A 84 10.616 0.960 -18.042 1.00 0.00 O ATOM 1345 CB LEU A 84 9.689 1.105 -15.101 1.00 0.00 C ATOM 1346 CG LEU A 84 8.876 1.156 -13.807 1.00 0.00 C ATOM 1347 CD1 LEU A 84 9.766 1.529 -12.632 1.00 0.00 C ATOM 1348 CD2 LEU A 84 7.723 2.141 -13.939 1.00 0.00 C ATOM 0 H LEU A 84 8.017 -0.721 -15.112 1.00 0.00 H new ATOM 0 HA LEU A 84 8.408 1.575 -16.761 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.513 0.405 -14.962 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.131 2.087 -15.268 1.00 0.00 H new ATOM 0 HG LEU A 84 8.461 0.165 -13.622 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.170 1.560 -11.720 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.556 0.786 -12.524 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.211 2.508 -12.809 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.156 2.164 -13.009 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.116 3.136 -14.149 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.070 1.830 -14.754 1.00 0.00 H new ATOM 1360 N HIS A 85 9.899 -1.130 -17.615 1.00 0.00 N ATOM 1361 CA HIS A 85 10.779 -1.750 -18.600 1.00 0.00 C ATOM 1362 C HIS A 85 10.122 -1.776 -19.976 1.00 0.00 C ATOM 1363 O HIS A 85 10.762 -1.485 -20.986 1.00 0.00 O ATOM 1364 CB HIS A 85 11.142 -3.171 -18.168 1.00 0.00 C ATOM 1365 CG HIS A 85 11.754 -3.992 -19.261 1.00 0.00 C ATOM 1366 ND1 HIS A 85 11.181 -4.755 -20.221 1.00 0.00 N flip ATOM 1367 CD2 HIS A 85 13.115 -4.093 -19.454 1.00 0.00 C flip ATOM 1368 CE1 HIS A 85 12.197 -5.296 -20.970 1.00 0.00 C flip ATOM 1369 NE2 HIS A 85 13.354 -4.880 -20.487 1.00 0.00 N flip ATOM 0 H HIS A 85 9.307 -1.786 -17.106 1.00 0.00 H new ATOM 0 HA HIS A 85 11.689 -1.154 -18.663 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.837 -3.121 -17.330 1.00 0.00 H new ATOM 0 HB3 HIS A 85 10.244 -3.673 -17.807 1.00 0.00 H new ATOM 0 HD1 HIS A 85 10.181 -4.901 -20.362 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.868 -3.605 -18.854 1.00 0.00 H new ATOM 0 HE1 HIS A 85 12.071 -5.955 -21.817 1.00 0.00 H new ATOM 1377 N MET A 86 8.840 -2.128 -20.008 1.00 0.00 N ATOM 1378 CA MET A 86 8.097 -2.192 -21.261 1.00 0.00 C ATOM 1379 C MET A 86 8.287 -0.914 -22.072 1.00 0.00 C ATOM 1380 O MET A 86 8.290 -0.943 -23.302 1.00 0.00 O ATOM 1381 CB MET A 86 6.609 -2.417 -20.984 1.00 0.00 C ATOM 1382 CG MET A 86 6.309 -3.751 -20.319 1.00 0.00 C ATOM 1383 SD MET A 86 5.575 -4.944 -21.455 1.00 0.00 S ATOM 1384 CE MET A 86 6.864 -5.072 -22.691 1.00 0.00 C ATOM 0 H MET A 86 8.295 -2.373 -19.181 1.00 0.00 H new ATOM 0 HA MET A 86 8.483 -3.030 -21.841 1.00 0.00 H new ATOM 0 HB2 MET A 86 6.241 -1.612 -20.348 1.00 0.00 H new ATOM 0 HB3 MET A 86 6.060 -2.357 -21.924 1.00 0.00 H new ATOM 0 HG2 MET A 86 7.231 -4.164 -19.910 1.00 0.00 H new ATOM 0 HG3 MET A 86 5.632 -3.590 -19.480 1.00 0.00 H new ATOM 0 HE1 MET A 86 6.771 -6.022 -23.217 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.768 -4.253 -23.403 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.839 -5.019 -22.207 1.00 0.00 H new ATOM 1394 N VAL A 87 8.446 0.207 -21.374 1.00 0.00 N ATOM 1395 CA VAL A 87 8.638 1.495 -22.030 1.00 0.00 C ATOM 1396 C VAL A 87 9.693 1.401 -23.126 1.00 0.00 C ATOM 1397 O VAL A 87 9.581 2.050 -24.166 1.00 0.00 O ATOM 1398 CB VAL A 87 9.056 2.581 -21.021 1.00 0.00 C ATOM 1399 CG1 VAL A 87 8.096 2.613 -19.841 1.00 0.00 C ATOM 1400 CG2 VAL A 87 10.484 2.349 -20.551 1.00 0.00 C ATOM 0 H VAL A 87 8.446 0.249 -20.355 1.00 0.00 H new ATOM 0 HA VAL A 87 7.681 1.771 -22.474 1.00 0.00 H new ATOM 0 HB VAL A 87 9.014 3.550 -21.518 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.408 3.386 -19.139 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.089 2.831 -20.197 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.102 1.645 -19.340 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.763 3.125 -19.839 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.555 1.373 -20.071 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.159 2.382 -21.407 1.00 0.00 H new ATOM 1410 N SER A 88 10.718 0.590 -22.886 1.00 0.00 N ATOM 1411 CA SER A 88 11.796 0.413 -23.852 1.00 0.00 C ATOM 1412 C SER A 88 11.287 -0.275 -25.115 1.00 0.00 C ATOM 1413 O SER A 88 11.803 -0.050 -26.210 1.00 0.00 O ATOM 1414 CB SER A 88 12.933 -0.403 -23.235 1.00 0.00 C ATOM 1415 OG SER A 88 13.882 0.439 -22.604 1.00 0.00 O ATOM 0 H SER A 88 10.825 0.045 -22.031 1.00 0.00 H new ATOM 0 HA SER A 88 12.172 1.399 -24.124 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.527 -1.107 -22.508 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.424 -0.992 -24.010 1.00 0.00 H new ATOM 0 HG SER A 88 14.597 -0.107 -22.216 1.00 0.00 H new ATOM 1421 N HIS A 89 10.270 -1.116 -24.953 1.00 0.00 N ATOM 1422 CA HIS A 89 9.689 -1.838 -26.080 1.00 0.00 C ATOM 1423 C HIS A 89 8.701 -0.958 -26.839 1.00 0.00 C ATOM 1424 O HIS A 89 8.805 -0.796 -28.055 1.00 0.00 O ATOM 1425 CB HIS A 89 8.989 -3.107 -25.593 1.00 0.00 C ATOM 1426 CG HIS A 89 9.935 -4.202 -25.203 1.00 0.00 C ATOM 1427 ND1 HIS A 89 10.932 -4.666 -26.035 1.00 0.00 N ATOM 1428 CD2 HIS A 89 10.032 -4.923 -24.062 1.00 0.00 C ATOM 1429 CE1 HIS A 89 11.601 -5.626 -25.423 1.00 0.00 C ATOM 1430 NE2 HIS A 89 11.075 -5.802 -24.224 1.00 0.00 N ATOM 0 H HIS A 89 9.832 -1.314 -24.054 1.00 0.00 H new ATOM 0 HA HIS A 89 10.497 -2.114 -26.758 1.00 0.00 H new ATOM 0 HB2 HIS A 89 8.360 -2.860 -24.738 1.00 0.00 H new ATOM 0 HB3 HIS A 89 8.328 -3.472 -26.379 1.00 0.00 H new ATOM 0 HD1 HIS A 89 11.123 -4.322 -26.976 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.406 -4.826 -23.187 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.436 -6.174 -25.833 1.00 0.00 H new ATOM 0 HE2 HIS A 89 11.392 -6.480 -23.531 1.00 0.00 H new ATOM 1438 N THR A 90 7.743 -0.390 -26.113 1.00 0.00 N ATOM 1439 CA THR A 90 6.735 0.472 -26.718 1.00 0.00 C ATOM 1440 C THR A 90 7.355 1.769 -27.225 1.00 0.00 C ATOM 1441 O THR A 90 7.004 2.259 -28.298 1.00 0.00 O ATOM 1442 CB THR A 90 5.612 0.809 -25.720 1.00 0.00 C ATOM 1443 OG1 THR A 90 4.671 1.703 -26.325 1.00 0.00 O ATOM 1444 CG2 THR A 90 6.181 1.442 -24.458 1.00 0.00 C ATOM 0 H THR A 90 7.644 -0.511 -25.105 1.00 0.00 H new ATOM 0 HA THR A 90 6.311 -0.078 -27.558 1.00 0.00 H new ATOM 0 HB THR A 90 5.108 -0.118 -25.447 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.959 1.911 -25.684 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.369 1.671 -23.768 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.875 0.748 -23.984 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.707 2.361 -24.717 1.00 0.00 H new ATOM 1452 N GLY A 91 8.281 2.322 -26.447 1.00 0.00 N ATOM 1453 CA GLY A 91 8.935 3.558 -26.835 1.00 0.00 C ATOM 1454 C GLY A 91 8.937 4.587 -25.722 1.00 0.00 C ATOM 1455 O GLY A 91 9.947 5.248 -25.482 1.00 0.00 O ATOM 0 H GLY A 91 8.590 1.936 -25.555 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.962 3.345 -27.130 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.432 3.973 -27.708 1.00 0.00 H new ATOM 1505 N TYR A 95 1.316 8.166 -20.100 1.00 0.00 N ATOM 1506 CA TYR A 95 1.096 9.418 -19.386 1.00 0.00 C ATOM 1507 C TYR A 95 2.420 10.113 -19.084 1.00 0.00 C ATOM 1508 O TYR A 95 3.461 9.467 -18.961 1.00 0.00 O ATOM 1509 CB TYR A 95 0.334 9.161 -18.085 1.00 0.00 C ATOM 1510 CG TYR A 95 -0.996 8.471 -18.289 1.00 0.00 C ATOM 1511 CD1 TYR A 95 -2.146 9.203 -18.563 1.00 0.00 C ATOM 1512 CD2 TYR A 95 -1.105 7.088 -18.207 1.00 0.00 C ATOM 1513 CE1 TYR A 95 -3.363 8.577 -18.749 1.00 0.00 C ATOM 1514 CE2 TYR A 95 -2.318 6.454 -18.393 1.00 0.00 C ATOM 1515 CZ TYR A 95 -3.444 7.203 -18.664 1.00 0.00 C ATOM 1516 OH TYR A 95 -4.655 6.575 -18.848 1.00 0.00 O ATOM 0 HA TYR A 95 0.501 10.071 -20.025 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.952 8.552 -17.426 1.00 0.00 H new ATOM 0 HB3 TYR A 95 0.167 10.111 -17.578 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.087 10.279 -18.632 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -0.226 6.498 -17.994 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.247 9.161 -18.960 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.384 5.378 -18.327 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.538 5.606 -18.756 1.00 0.00 H new ATOM 1526 N LYS A 96 2.372 11.436 -18.965 1.00 0.00 N ATOM 1527 CA LYS A 96 3.566 12.222 -18.675 1.00 0.00 C ATOM 1528 C LYS A 96 3.199 13.540 -18.001 1.00 0.00 C ATOM 1529 O LYS A 96 2.155 14.126 -18.287 1.00 0.00 O ATOM 1530 CB LYS A 96 4.346 12.495 -19.962 1.00 0.00 C ATOM 1531 CG LYS A 96 5.444 11.482 -20.235 1.00 0.00 C ATOM 1532 CD LYS A 96 5.943 11.571 -21.667 1.00 0.00 C ATOM 1533 CE LYS A 96 6.421 10.220 -22.177 1.00 0.00 C ATOM 1534 NZ LYS A 96 7.871 10.008 -21.912 1.00 0.00 N ATOM 0 H LYS A 96 1.519 11.986 -19.065 1.00 0.00 H new ATOM 0 HA LYS A 96 4.192 11.647 -17.993 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.652 12.502 -20.803 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.787 13.490 -19.905 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.274 11.650 -19.549 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.069 10.477 -20.041 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.144 11.941 -22.309 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.758 12.292 -21.725 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.845 9.427 -21.700 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.234 10.149 -23.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.025 9.033 -21.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.411 10.170 -22.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.191 10.673 -21.179 1.00 0.00 H new ATOM 1548 N CYS A 97 4.064 14.002 -17.104 1.00 0.00 N ATOM 1549 CA CYS A 97 3.832 15.251 -16.390 1.00 0.00 C ATOM 1550 C CYS A 97 4.189 16.451 -17.263 1.00 0.00 C ATOM 1551 O CYS A 97 4.517 16.300 -18.440 1.00 0.00 O ATOM 1552 CB CYS A 97 4.652 15.284 -15.099 1.00 0.00 C ATOM 1553 SG CYS A 97 3.847 16.177 -13.730 1.00 0.00 S ATOM 0 H CYS A 97 4.933 13.529 -16.855 1.00 0.00 H new ATOM 0 HA CYS A 97 2.772 15.307 -16.141 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.853 14.261 -14.783 1.00 0.00 H new ATOM 0 HB3 CYS A 97 5.616 15.749 -15.305 1.00 0.00 H new ATOM 0 HG CYS A 97 2.556 16.100 -13.862 1.00 0.00 H new ATOM 1558 N SER A 98 4.123 17.642 -16.677 1.00 0.00 N ATOM 1559 CA SER A 98 4.436 18.869 -17.401 1.00 0.00 C ATOM 1560 C SER A 98 5.526 19.660 -16.685 1.00 0.00 C ATOM 1561 O SER A 98 6.468 20.147 -17.311 1.00 0.00 O ATOM 1562 CB SER A 98 3.181 19.731 -17.552 1.00 0.00 C ATOM 1563 OG SER A 98 2.221 19.094 -18.377 1.00 0.00 O ATOM 0 H SER A 98 3.856 17.784 -15.703 1.00 0.00 H new ATOM 0 HA SER A 98 4.801 18.594 -18.390 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.749 19.926 -16.570 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.449 20.697 -17.980 1.00 0.00 H new ATOM 0 HG SER A 98 1.428 19.664 -18.456 1.00 0.00 H new ATOM 1569 N SER A 99 5.392 19.783 -15.368 1.00 0.00 N ATOM 1570 CA SER A 99 6.363 20.517 -14.566 1.00 0.00 C ATOM 1571 C SER A 99 7.682 19.755 -14.477 1.00 0.00 C ATOM 1572 O SER A 99 8.753 20.315 -14.712 1.00 0.00 O ATOM 1573 CB SER A 99 5.810 20.769 -13.162 1.00 0.00 C ATOM 1574 OG SER A 99 6.349 21.956 -12.607 1.00 0.00 O ATOM 0 H SER A 99 4.620 19.384 -14.834 1.00 0.00 H new ATOM 0 HA SER A 99 6.549 21.474 -15.052 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.723 20.844 -13.204 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.046 19.922 -12.517 1.00 0.00 H new ATOM 0 HG SER A 99 5.979 22.095 -11.710 1.00 0.00 H new ATOM 1580 N CYS A 100 7.595 18.474 -14.135 1.00 0.00 N ATOM 1581 CA CYS A 100 8.779 17.633 -14.014 1.00 0.00 C ATOM 1582 C CYS A 100 8.946 16.746 -15.245 1.00 0.00 C ATOM 1583 O CYS A 100 10.014 16.180 -15.475 1.00 0.00 O ATOM 1584 CB CYS A 100 8.688 16.766 -12.756 1.00 0.00 C ATOM 1585 SG CYS A 100 7.408 15.473 -12.835 1.00 0.00 S ATOM 0 H CYS A 100 6.716 17.996 -13.937 1.00 0.00 H new ATOM 0 HA CYS A 100 9.650 18.284 -13.937 1.00 0.00 H new ATOM 0 HB2 CYS A 100 9.655 16.295 -12.582 1.00 0.00 H new ATOM 0 HB3 CYS A 100 8.488 17.409 -11.899 1.00 0.00 H new ATOM 0 HG CYS A 100 6.262 16.014 -13.127 1.00 0.00 H new ATOM 1590 N SER A 101 7.881 16.630 -16.032 1.00 0.00 N ATOM 1591 CA SER A 101 7.907 15.810 -17.237 1.00 0.00 C ATOM 1592 C SER A 101 8.069 14.334 -16.887 1.00 0.00 C ATOM 1593 O SER A 101 8.673 13.570 -17.639 1.00 0.00 O ATOM 1594 CB SER A 101 9.045 16.255 -18.158 1.00 0.00 C ATOM 1595 OG SER A 101 8.911 17.621 -18.510 1.00 0.00 O ATOM 0 H SER A 101 6.990 17.094 -15.857 1.00 0.00 H new ATOM 0 HA SER A 101 6.957 15.940 -17.755 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.002 16.096 -17.661 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.048 15.642 -19.060 1.00 0.00 H new ATOM 0 HG SER A 101 9.651 17.882 -19.097 1.00 0.00 H new ATOM 1601 N GLN A 102 7.524 13.942 -15.739 1.00 0.00 N ATOM 1602 CA GLN A 102 7.609 12.558 -15.288 1.00 0.00 C ATOM 1603 C GLN A 102 6.905 11.622 -16.265 1.00 0.00 C ATOM 1604 O GLN A 102 6.455 12.047 -17.330 1.00 0.00 O ATOM 1605 CB GLN A 102 6.994 12.415 -13.895 1.00 0.00 C ATOM 1606 CG GLN A 102 8.005 12.546 -12.767 1.00 0.00 C ATOM 1607 CD GLN A 102 8.634 11.220 -12.390 1.00 0.00 C ATOM 1608 OE1 GLN A 102 9.248 10.551 -13.222 1.00 0.00 O ATOM 1609 NE2 GLN A 102 8.485 10.831 -11.129 1.00 0.00 N ATOM 0 H GLN A 102 7.020 14.562 -15.106 1.00 0.00 H new ATOM 0 HA GLN A 102 8.662 12.282 -15.243 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.221 13.173 -13.769 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.504 11.444 -13.821 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.788 13.243 -13.065 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.514 12.973 -11.892 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.969 11.416 -10.472 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.887 9.947 -10.817 1.00 0.00 H new ATOM 1618 N GLN A 103 6.814 10.349 -15.897 1.00 0.00 N ATOM 1619 CA GLN A 103 6.165 9.354 -16.743 1.00 0.00 C ATOM 1620 C GLN A 103 5.380 8.353 -15.901 1.00 0.00 C ATOM 1621 O GLN A 103 5.798 7.986 -14.803 1.00 0.00 O ATOM 1622 CB GLN A 103 7.205 8.620 -17.591 1.00 0.00 C ATOM 1623 CG GLN A 103 8.086 9.548 -18.411 1.00 0.00 C ATOM 1624 CD GLN A 103 9.097 8.798 -19.256 1.00 0.00 C ATOM 1625 OE1 GLN A 103 8.613 7.868 -20.072 1.00 0.00 O flip ATOM 1626 NE2 GLN A 103 10.299 9.051 -19.178 1.00 0.00 N flip ATOM 0 H GLN A 103 7.181 9.982 -15.019 1.00 0.00 H new ATOM 0 HA GLN A 103 5.468 9.872 -17.402 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.836 8.018 -16.937 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.693 7.931 -18.263 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.458 10.159 -19.060 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.612 10.229 -17.742 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.628 9.774 -18.538 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.967 8.538 -19.754 1.00 0.00 H new ATOM 1635 N PHE A 104 4.239 7.915 -16.424 1.00 0.00 N ATOM 1636 CA PHE A 104 3.394 6.957 -15.720 1.00 0.00 C ATOM 1637 C PHE A 104 2.679 6.037 -16.705 1.00 0.00 C ATOM 1638 O PHE A 104 2.633 6.309 -17.904 1.00 0.00 O ATOM 1639 CB PHE A 104 2.368 7.690 -14.853 1.00 0.00 C ATOM 1640 CG PHE A 104 2.962 8.797 -14.029 1.00 0.00 C ATOM 1641 CD1 PHE A 104 3.465 9.937 -14.635 1.00 0.00 C ATOM 1642 CD2 PHE A 104 3.017 8.698 -12.648 1.00 0.00 C ATOM 1643 CE1 PHE A 104 4.012 10.956 -13.879 1.00 0.00 C ATOM 1644 CE2 PHE A 104 3.563 9.714 -11.887 1.00 0.00 C ATOM 1645 CZ PHE A 104 4.060 10.845 -12.503 1.00 0.00 C ATOM 0 H PHE A 104 3.879 8.208 -17.332 1.00 0.00 H new ATOM 0 HA PHE A 104 4.033 6.349 -15.079 1.00 0.00 H new ATOM 0 HB2 PHE A 104 1.590 8.103 -15.495 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.886 6.972 -14.189 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.429 10.030 -15.710 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.628 7.816 -12.160 1.00 0.00 H new ATOM 0 HE1 PHE A 104 4.402 11.839 -14.364 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.601 9.623 -10.811 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.485 11.641 -11.910 1.00 0.00 H new ATOM 1655 N MET A 105 2.123 4.946 -16.189 1.00 0.00 N ATOM 1656 CA MET A 105 1.409 3.984 -17.022 1.00 0.00 C ATOM 1657 C MET A 105 -0.098 4.197 -16.927 1.00 0.00 C ATOM 1658 O MET A 105 -0.838 3.871 -17.855 1.00 0.00 O ATOM 1659 CB MET A 105 1.762 2.555 -16.605 1.00 0.00 C ATOM 1660 CG MET A 105 3.017 2.019 -17.275 1.00 0.00 C ATOM 1661 SD MET A 105 2.940 2.115 -19.073 1.00 0.00 S ATOM 1662 CE MET A 105 4.681 2.208 -19.483 1.00 0.00 C ATOM 0 H MET A 105 2.153 4.706 -15.198 1.00 0.00 H new ATOM 0 HA MET A 105 1.715 4.138 -18.057 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.895 2.523 -15.524 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.925 1.899 -16.842 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.881 2.582 -16.922 1.00 0.00 H new ATOM 0 HG3 MET A 105 3.168 0.982 -16.977 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.794 2.502 -20.527 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.166 2.945 -18.844 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.144 1.233 -19.328 1.00 0.00 H new ATOM 1672 N GLN A 106 -0.545 4.744 -15.802 1.00 0.00 N ATOM 1673 CA GLN A 106 -1.964 4.999 -15.587 1.00 0.00 C ATOM 1674 C GLN A 106 -2.232 6.492 -15.430 1.00 0.00 C ATOM 1675 O GLN A 106 -1.338 7.260 -15.077 1.00 0.00 O ATOM 1676 CB GLN A 106 -2.458 4.247 -14.350 1.00 0.00 C ATOM 1677 CG GLN A 106 -2.003 2.797 -14.297 1.00 0.00 C ATOM 1678 CD GLN A 106 -2.997 1.899 -13.587 1.00 0.00 C ATOM 1679 OE1 GLN A 106 -4.141 1.757 -14.019 1.00 0.00 O ATOM 1680 NE2 GLN A 106 -2.564 1.287 -12.491 1.00 0.00 N ATOM 0 H GLN A 106 0.055 5.019 -15.025 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.507 4.641 -16.462 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.105 4.763 -13.457 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.547 4.278 -14.327 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.849 2.431 -15.312 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.040 2.741 -13.789 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.607 1.434 -12.169 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.188 0.670 -11.971 1.00 0.00 H new ATOM 1689 N LYS A 107 -3.470 6.897 -15.695 1.00 0.00 N ATOM 1690 CA LYS A 107 -3.858 8.298 -15.582 1.00 0.00 C ATOM 1691 C LYS A 107 -3.942 8.723 -14.120 1.00 0.00 C ATOM 1692 O LYS A 107 -3.362 9.734 -13.722 1.00 0.00 O ATOM 1693 CB LYS A 107 -5.204 8.533 -16.271 1.00 0.00 C ATOM 1694 CG LYS A 107 -5.547 10.002 -16.451 1.00 0.00 C ATOM 1695 CD LYS A 107 -6.939 10.182 -17.031 1.00 0.00 C ATOM 1696 CE LYS A 107 -7.201 11.631 -17.411 1.00 0.00 C ATOM 1697 NZ LYS A 107 -8.499 11.792 -18.124 1.00 0.00 N ATOM 0 H LYS A 107 -4.222 6.274 -15.990 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.095 8.901 -16.074 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -5.192 8.049 -17.248 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -5.990 8.054 -15.687 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.484 10.512 -15.490 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.814 10.470 -17.109 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -7.053 9.548 -17.910 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.682 9.855 -16.304 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.202 12.248 -16.512 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.391 11.992 -18.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.640 12.794 -18.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.490 11.224 -18.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.275 11.471 -17.510 1.00 0.00 H new ATOM 1711 N LYS A 108 -4.666 7.945 -13.323 1.00 0.00 N ATOM 1712 CA LYS A 108 -4.824 8.239 -11.903 1.00 0.00 C ATOM 1713 C LYS A 108 -3.467 8.360 -11.218 1.00 0.00 C ATOM 1714 O LYS A 108 -3.275 9.206 -10.344 1.00 0.00 O ATOM 1715 CB LYS A 108 -5.655 7.147 -11.225 1.00 0.00 C ATOM 1716 CG LYS A 108 -4.987 5.783 -11.232 1.00 0.00 C ATOM 1717 CD LYS A 108 -6.002 4.665 -11.063 1.00 0.00 C ATOM 1718 CE LYS A 108 -5.382 3.303 -11.338 1.00 0.00 C ATOM 1719 NZ LYS A 108 -6.416 2.238 -11.460 1.00 0.00 N ATOM 0 H LYS A 108 -5.153 7.105 -13.636 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.344 9.193 -11.810 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.853 7.440 -10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.620 7.072 -11.726 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.446 5.646 -12.168 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -4.252 5.733 -10.429 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.402 4.686 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -6.840 4.828 -11.740 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.797 3.349 -12.257 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.692 3.049 -10.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -5.954 1.325 -11.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -6.957 2.177 -10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.060 2.467 -12.244 1.00 0.00 H new ATOM 1733 N ASP A 109 -2.528 7.511 -11.621 1.00 0.00 N ATOM 1734 CA ASP A 109 -1.188 7.524 -11.048 1.00 0.00 C ATOM 1735 C ASP A 109 -0.532 8.889 -11.232 1.00 0.00 C ATOM 1736 O ASP A 109 0.208 9.357 -10.365 1.00 0.00 O ATOM 1737 CB ASP A 109 -0.324 6.438 -11.690 1.00 0.00 C ATOM 1738 CG ASP A 109 0.691 5.858 -10.724 1.00 0.00 C ATOM 1739 OD1 ASP A 109 0.328 4.934 -9.967 1.00 0.00 O ATOM 1740 OD2 ASP A 109 1.847 6.328 -10.727 1.00 0.00 O ATOM 0 H ASP A 109 -2.671 6.805 -12.343 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.274 7.323 -9.980 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -0.966 5.639 -12.061 1.00 0.00 H new ATOM 0 HB3 ASP A 109 0.196 6.855 -12.552 1.00 0.00 H new ATOM 1745 N LEU A 110 -0.806 9.523 -12.367 1.00 0.00 N ATOM 1746 CA LEU A 110 -0.241 10.834 -12.666 1.00 0.00 C ATOM 1747 C LEU A 110 -0.954 11.927 -11.877 1.00 0.00 C ATOM 1748 O LEU A 110 -0.315 12.741 -11.210 1.00 0.00 O ATOM 1749 CB LEU A 110 -0.341 11.124 -14.165 1.00 0.00 C ATOM 1750 CG LEU A 110 -0.153 12.583 -14.580 1.00 0.00 C ATOM 1751 CD1 LEU A 110 1.241 13.067 -14.212 1.00 0.00 C ATOM 1752 CD2 LEU A 110 -0.400 12.749 -16.073 1.00 0.00 C ATOM 0 H LEU A 110 -1.416 9.151 -13.095 1.00 0.00 H new ATOM 0 HA LEU A 110 0.809 10.826 -12.373 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.406 10.521 -14.682 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.318 10.791 -14.515 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.880 13.191 -14.042 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.357 14.108 -14.515 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.382 12.985 -13.134 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.985 12.456 -14.723 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.262 13.794 -16.351 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.304 12.130 -16.629 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.419 12.443 -16.310 1.00 0.00 H new ATOM 1764 N GLN A 111 -2.281 11.937 -11.955 1.00 0.00 N ATOM 1765 CA GLN A 111 -3.080 12.929 -11.247 1.00 0.00 C ATOM 1766 C GLN A 111 -2.658 13.025 -9.784 1.00 0.00 C ATOM 1767 O GLN A 111 -2.414 14.116 -9.268 1.00 0.00 O ATOM 1768 CB GLN A 111 -4.566 12.578 -11.338 1.00 0.00 C ATOM 1769 CG GLN A 111 -5.120 12.640 -12.753 1.00 0.00 C ATOM 1770 CD GLN A 111 -6.587 13.021 -12.790 1.00 0.00 C ATOM 1771 OE1 GLN A 111 -7.158 13.435 -11.780 1.00 0.00 O ATOM 1772 NE2 GLN A 111 -7.205 12.883 -13.956 1.00 0.00 N ATOM 0 H GLN A 111 -2.825 11.269 -12.501 1.00 0.00 H new ATOM 0 HA GLN A 111 -2.913 13.897 -11.719 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -4.719 11.575 -10.940 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -5.132 13.261 -10.705 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -4.546 13.363 -13.332 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -4.988 11.670 -13.233 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -6.693 12.536 -14.767 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.193 13.124 -14.041 1.00 0.00 H new ATOM 1781 N SER A 112 -2.574 11.876 -9.121 1.00 0.00 N ATOM 1782 CA SER A 112 -2.184 11.830 -7.717 1.00 0.00 C ATOM 1783 C SER A 112 -0.770 12.371 -7.527 1.00 0.00 C ATOM 1784 O SER A 112 -0.495 13.101 -6.574 1.00 0.00 O ATOM 1785 CB SER A 112 -2.270 10.397 -7.188 1.00 0.00 C ATOM 1786 OG SER A 112 -2.458 10.382 -5.784 1.00 0.00 O ATOM 0 H SER A 112 -2.771 10.964 -9.534 1.00 0.00 H new ATOM 0 HA SER A 112 -2.873 12.459 -7.154 1.00 0.00 H new ATOM 0 HB2 SER A 112 -3.095 9.876 -7.674 1.00 0.00 H new ATOM 0 HB3 SER A 112 -1.358 9.857 -7.442 1.00 0.00 H new ATOM 0 HG SER A 112 -2.940 9.568 -5.527 1.00 0.00 H new ATOM 1792 N HIS A 113 0.123 12.007 -8.442 1.00 0.00 N ATOM 1793 CA HIS A 113 1.510 12.456 -8.376 1.00 0.00 C ATOM 1794 C HIS A 113 1.591 13.979 -8.418 1.00 0.00 C ATOM 1795 O HIS A 113 2.408 14.585 -7.726 1.00 0.00 O ATOM 1796 CB HIS A 113 2.315 11.859 -9.531 1.00 0.00 C ATOM 1797 CG HIS A 113 3.435 12.737 -9.997 1.00 0.00 C ATOM 1798 ND1 HIS A 113 3.459 13.725 -10.922 1.00 0.00 N flip ATOM 1799 CD2 HIS A 113 4.718 12.649 -9.499 1.00 0.00 C flip ATOM 1800 CE1 HIS A 113 4.743 14.212 -10.965 1.00 0.00 C flip ATOM 1801 NE2 HIS A 113 5.482 13.546 -10.097 1.00 0.00 N flip ATOM 0 H HIS A 113 -0.088 11.403 -9.237 1.00 0.00 H new ATOM 0 HA HIS A 113 1.933 12.114 -7.432 1.00 0.00 H new ATOM 0 HB2 HIS A 113 2.723 10.898 -9.220 1.00 0.00 H new ATOM 0 HB3 HIS A 113 1.644 11.664 -10.368 1.00 0.00 H new ATOM 0 HD2 HIS A 113 5.047 11.955 -8.739 1.00 0.00 H new ATOM 0 HE1 HIS A 113 5.091 15.010 -11.605 1.00 0.00 H new ATOM 0 HE2 HIS A 113 6.475 13.698 -9.918 1.00 0.00 H new ATOM 1809 N MET A 114 0.738 14.590 -9.234 1.00 0.00 N ATOM 1810 CA MET A 114 0.714 16.042 -9.365 1.00 0.00 C ATOM 1811 C MET A 114 0.008 16.683 -8.175 1.00 0.00 C ATOM 1812 O MET A 114 0.343 17.796 -7.768 1.00 0.00 O ATOM 1813 CB MET A 114 0.016 16.447 -10.665 1.00 0.00 C ATOM 1814 CG MET A 114 0.660 15.856 -11.909 1.00 0.00 C ATOM 1815 SD MET A 114 0.254 16.777 -13.405 1.00 0.00 S ATOM 1816 CE MET A 114 1.192 18.280 -13.143 1.00 0.00 C ATOM 0 H MET A 114 0.055 14.103 -9.814 1.00 0.00 H new ATOM 0 HA MET A 114 1.744 16.397 -9.389 1.00 0.00 H new ATOM 0 HB2 MET A 114 -1.027 16.133 -10.621 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.018 17.534 -10.746 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.742 15.839 -11.780 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.336 14.822 -12.025 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.512 19.131 -13.107 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.736 18.210 -12.201 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.899 18.415 -13.961 1.00 0.00 H new ATOM 1826 N ILE A 115 -0.971 15.975 -7.621 1.00 0.00 N ATOM 1827 CA ILE A 115 -1.722 16.476 -6.477 1.00 0.00 C ATOM 1828 C ILE A 115 -0.912 16.354 -5.191 1.00 0.00 C ATOM 1829 O ILE A 115 -1.086 17.139 -4.258 1.00 0.00 O ATOM 1830 CB ILE A 115 -3.054 15.721 -6.305 1.00 0.00 C ATOM 1831 CG1 ILE A 115 -3.963 15.966 -7.511 1.00 0.00 C ATOM 1832 CG2 ILE A 115 -3.744 16.151 -5.019 1.00 0.00 C ATOM 1833 CD1 ILE A 115 -4.890 14.809 -7.813 1.00 0.00 C ATOM 0 H ILE A 115 -1.262 15.053 -7.946 1.00 0.00 H new ATOM 0 HA ILE A 115 -1.932 17.528 -6.673 1.00 0.00 H new ATOM 0 HB ILE A 115 -2.844 14.653 -6.242 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -4.559 16.861 -7.331 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -3.346 16.165 -8.387 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.684 15.609 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -3.099 15.931 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.945 17.222 -5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.505 15.052 -8.680 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -4.301 13.917 -8.025 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.533 14.624 -6.953 1.00 0.00 H new ATOM 1845 N LYS A 116 -0.025 15.366 -5.148 1.00 0.00 N ATOM 1846 CA LYS A 116 0.816 15.143 -3.978 1.00 0.00 C ATOM 1847 C LYS A 116 2.087 15.983 -4.053 1.00 0.00 C ATOM 1848 O LYS A 116 2.374 16.773 -3.152 1.00 0.00 O ATOM 1849 CB LYS A 116 1.179 13.661 -3.861 1.00 0.00 C ATOM 1850 CG LYS A 116 0.136 12.835 -3.127 1.00 0.00 C ATOM 1851 CD LYS A 116 -1.014 12.449 -4.041 1.00 0.00 C ATOM 1852 CE LYS A 116 -2.177 11.862 -3.255 1.00 0.00 C ATOM 1853 NZ LYS A 116 -1.967 10.420 -2.947 1.00 0.00 N ATOM 0 H LYS A 116 0.130 14.706 -5.910 1.00 0.00 H new ATOM 0 HA LYS A 116 0.253 15.445 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 116 1.318 13.250 -4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 116 2.134 13.569 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 116 0.601 11.935 -2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -0.247 13.402 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.352 13.326 -4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.668 11.723 -4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.304 12.417 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.098 11.981 -3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.720 10.087 -2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -1.990 9.870 -3.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -1.044 10.295 -2.484 1.00 0.00 H new ATOM 1867 N LEU A 117 2.843 15.810 -5.130 1.00 0.00 N ATOM 1868 CA LEU A 117 4.083 16.554 -5.323 1.00 0.00 C ATOM 1869 C LEU A 117 3.798 17.966 -5.824 1.00 0.00 C ATOM 1870 O LEU A 117 4.215 18.949 -5.211 1.00 0.00 O ATOM 1871 CB LEU A 117 4.991 15.823 -6.313 1.00 0.00 C ATOM 1872 CG LEU A 117 5.127 14.313 -6.111 1.00 0.00 C ATOM 1873 CD1 LEU A 117 6.371 13.790 -6.812 1.00 0.00 C ATOM 1874 CD2 LEU A 117 5.167 13.975 -4.628 1.00 0.00 C ATOM 0 H LEU A 117 2.620 15.161 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 117 4.589 16.625 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.615 16.002 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.985 16.267 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 117 4.256 13.827 -6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.451 12.714 -6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.302 13.999 -7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.253 14.282 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.264 12.897 -4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.019 14.472 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.247 14.314 -4.153 1.00 0.00 H new ATOM 1886 N HIS A 118 3.084 18.059 -6.941 1.00 0.00 N ATOM 1887 CA HIS A 118 2.740 19.352 -7.523 1.00 0.00 C ATOM 1888 C HIS A 118 1.463 19.907 -6.899 1.00 0.00 C ATOM 1889 O HIS A 118 0.690 20.602 -7.558 1.00 0.00 O ATOM 1890 CB HIS A 118 2.568 19.224 -9.037 1.00 0.00 C ATOM 1891 CG HIS A 118 3.799 18.742 -9.741 1.00 0.00 C ATOM 1892 ND1 HIS A 118 4.972 19.464 -9.784 1.00 0.00 N ATOM 1893 CD2 HIS A 118 4.035 17.602 -10.432 1.00 0.00 C ATOM 1894 CE1 HIS A 118 5.877 18.790 -10.472 1.00 0.00 C ATOM 1895 NE2 HIS A 118 5.333 17.656 -10.876 1.00 0.00 N ATOM 0 H HIS A 118 2.732 17.255 -7.461 1.00 0.00 H new ATOM 0 HA HIS A 118 3.555 20.045 -7.315 1.00 0.00 H new ATOM 0 HB2 HIS A 118 1.748 18.536 -9.244 1.00 0.00 H new ATOM 0 HB3 HIS A 118 2.282 20.193 -9.445 1.00 0.00 H new ATOM 0 HD2 HIS A 118 3.333 16.799 -10.602 1.00 0.00 H new ATOM 0 HE1 HIS A 118 6.889 19.112 -10.670 1.00 0.00 H new ATOM 0 HE2 HIS A 118 5.801 16.937 -11.428 1.00 0.00 H new