USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 776 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 89 THR OG1 : rot 56:sc= -0.31 USER MOD Set 1.2: A 99 CYS SG : rot -144:sc= 0.0476 USER MOD Set 1.3: A 101 TYR OH : rot 180:sc= -0.14 USER MOD Set 2.1: A 21 MET CE :methyl -107:sc= -0.173 (180deg=-2.06!) USER MOD Set 2.2: A 76 TYR OH : rot 161:sc= -8.44! USER MOD Set 3.1: A 41 MET CE :methyl -160:sc= -5.18! (180deg=-5.72!) USER MOD Set 3.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 28 MET CE :methyl -151:sc= -28.4! (180deg=-24.4!) USER MOD Set 4.2: A 80 MET CE :methyl -161:sc= -7.39! (180deg=-3.08!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -130:sc= -0.16 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.14) USER MOD Single : A 33 SER OG : rot -108:sc= 1.32 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -6.93! C(o=-6.9!,f=-13!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -46:sc= 0.213 USER MOD Single : A 63 HIS :FLIP no HE2:sc= -34.7! C(o=-42!,f=-35!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= 1.28 (180deg=0.883) USER MOD Single : A 78 SER OG : rot -43:sc= 1.54 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -143:sc= -0.304 (180deg=-1.41!) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -9.13! C(o=-14!,f=-9.1!) USER MOD Single : A 88 HIS :FLIP no HD1:sc= -17.9! C(o=-22!,f=-18!) USER MOD Single : A 91 ASN : amide:sc= -0.541 K(o=-0.54,f=-4.2!) USER MOD Single : A 92 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.112) USER MOD Single : A 94 THR OG1 : rot -63:sc= 1.11 USER MOD Single : A 96 SER OG : rot 47:sc= 0.347 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 12 0.776 11.488 -10.036 1.00 0.00 N ATOM 2 CA GLU A 12 0.917 10.228 -9.334 1.00 0.00 C ATOM 3 C GLU A 12 1.717 10.433 -8.055 1.00 0.00 C ATOM 4 O GLU A 12 2.549 11.334 -7.978 1.00 0.00 O ATOM 5 CB GLU A 12 1.604 9.214 -10.244 1.00 0.00 C ATOM 6 CG GLU A 12 1.878 7.932 -9.464 1.00 0.00 C ATOM 7 CD GLU A 12 0.583 7.186 -9.174 1.00 0.00 C ATOM 8 OE1 GLU A 12 -0.191 7.697 -8.336 1.00 0.00 O ATOM 9 OE2 GLU A 12 0.392 6.119 -9.796 1.00 0.00 O ATOM 0 HA GLU A 12 -0.068 9.847 -9.064 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.974 8.999 -11.107 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.538 9.626 -10.626 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.552 7.292 -10.034 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.382 8.172 -8.528 1.00 0.00 H new ATOM 17 N ALA A 13 1.462 9.592 -7.050 1.00 0.00 N ATOM 18 CA ALA A 13 2.157 9.685 -5.781 1.00 0.00 C ATOM 19 C ALA A 13 3.640 9.927 -6.022 1.00 0.00 C ATOM 20 O ALA A 13 4.122 9.774 -7.143 1.00 0.00 O ATOM 21 CB ALA A 13 1.941 8.399 -4.989 1.00 0.00 C ATOM 0 H ALA A 13 0.775 8.839 -7.099 1.00 0.00 H new ATOM 0 HA ALA A 13 1.761 10.522 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.463 8.467 -4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.875 8.256 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.330 7.553 -5.556 1.00 0.00 H new ATOM 27 N PRO A 14 4.364 10.307 -4.967 1.00 0.00 N ATOM 28 CA PRO A 14 5.784 10.580 -5.007 1.00 0.00 C ATOM 29 C PRO A 14 6.551 9.274 -5.152 1.00 0.00 C ATOM 30 O PRO A 14 7.779 9.264 -5.105 1.00 0.00 O ATOM 31 CB PRO A 14 6.092 11.251 -3.670 1.00 0.00 C ATOM 32 CG PRO A 14 5.055 10.632 -2.735 1.00 0.00 C ATOM 33 CD PRO A 14 3.829 10.497 -3.636 1.00 0.00 C ATOM 0 HA PRO A 14 6.071 11.212 -5.847 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.110 11.045 -3.339 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.989 12.335 -3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.383 9.666 -2.349 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.856 11.269 -1.873 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.209 9.653 -3.335 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.202 11.387 -3.586 1.00 0.00 H new ATOM 41 N LEU A 15 5.824 8.168 -5.328 1.00 0.00 N ATOM 42 CA LEU A 15 6.437 6.864 -5.476 1.00 0.00 C ATOM 43 C LEU A 15 6.169 6.323 -6.874 1.00 0.00 C ATOM 44 O LEU A 15 5.586 7.013 -7.707 1.00 0.00 O ATOM 45 CB LEU A 15 5.883 5.917 -4.415 1.00 0.00 C ATOM 46 CG LEU A 15 5.093 6.717 -3.383 1.00 0.00 C ATOM 47 CD1 LEU A 15 4.023 5.827 -2.759 1.00 0.00 C ATOM 48 CD2 LEU A 15 6.039 7.216 -2.294 1.00 0.00 C ATOM 0 H LEU A 15 4.805 8.160 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 15 7.515 6.949 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.241 5.168 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.698 5.381 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 15 4.618 7.569 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.459 6.398 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.347 5.471 -3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.497 4.975 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.476 7.788 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.515 6.365 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.803 7.853 -2.740 1.00 0.00 H new ATOM 60 N THR A 16 6.597 5.085 -7.129 1.00 0.00 N ATOM 61 CA THR A 16 6.398 4.463 -8.423 1.00 0.00 C ATOM 62 C THR A 16 6.214 2.962 -8.254 1.00 0.00 C ATOM 63 O THR A 16 5.286 2.380 -8.812 1.00 0.00 O ATOM 64 CB THR A 16 7.596 4.763 -9.319 1.00 0.00 C ATOM 65 OG1 THR A 16 8.186 5.980 -8.923 1.00 0.00 O ATOM 66 CG2 THR A 16 7.132 4.871 -10.769 1.00 0.00 C ATOM 0 H THR A 16 7.083 4.499 -6.450 1.00 0.00 H new ATOM 0 HA THR A 16 5.500 4.867 -8.890 1.00 0.00 H new ATOM 0 HB THR A 16 8.327 3.959 -9.230 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.956 6.172 -9.497 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.987 5.085 -11.410 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.675 3.930 -11.076 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.401 5.675 -10.858 1.00 0.00 H new ATOM 74 N VAL A 17 7.103 2.334 -7.480 1.00 0.00 N ATOM 75 CA VAL A 17 7.036 0.907 -7.241 1.00 0.00 C ATOM 76 C VAL A 17 8.328 0.432 -6.592 1.00 0.00 C ATOM 77 O VAL A 17 8.316 -0.494 -5.784 1.00 0.00 O ATOM 78 CB VAL A 17 6.796 0.181 -8.561 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.822 -0.937 -8.722 1.00 0.00 C ATOM 80 CG2 VAL A 17 5.391 -0.415 -8.566 1.00 0.00 C ATOM 0 H VAL A 17 7.878 2.802 -7.010 1.00 0.00 H new ATOM 0 HA VAL A 17 6.210 0.686 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 17 6.895 0.887 -9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.650 -1.455 -9.665 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.826 -0.513 -8.719 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.724 -1.643 -7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.219 -0.934 -9.509 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.292 -1.120 -7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.657 0.383 -8.452 1.00 0.00 H new ATOM 90 N LYS A 18 9.446 1.070 -6.946 1.00 0.00 N ATOM 91 CA LYS A 18 10.738 0.710 -6.396 1.00 0.00 C ATOM 92 C LYS A 18 11.140 1.709 -5.321 1.00 0.00 C ATOM 93 O LYS A 18 12.298 1.753 -4.913 1.00 0.00 O ATOM 94 CB LYS A 18 11.774 0.675 -7.516 1.00 0.00 C ATOM 95 CG LYS A 18 11.491 -0.512 -8.433 1.00 0.00 C ATOM 96 CD LYS A 18 12.785 -0.951 -9.112 1.00 0.00 C ATOM 97 CE LYS A 18 12.456 -1.708 -10.395 1.00 0.00 C ATOM 98 NZ LYS A 18 13.669 -2.282 -10.996 1.00 0.00 N ATOM 0 H LYS A 18 9.474 1.840 -7.614 1.00 0.00 H new ATOM 0 HA LYS A 18 10.680 -0.278 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.742 1.604 -8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.777 0.593 -7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.072 -1.337 -7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.750 -0.237 -9.183 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.402 -0.082 -9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.363 -1.586 -8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.742 -2.503 -10.179 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.978 -1.034 -11.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.417 -2.791 -11.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.339 -1.519 -11.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.110 -2.942 -10.324 1.00 0.00 H new ATOM 112 N SER A 19 10.178 2.513 -4.862 1.00 0.00 N ATOM 113 CA SER A 19 10.436 3.505 -3.838 1.00 0.00 C ATOM 114 C SER A 19 10.799 2.815 -2.530 1.00 0.00 C ATOM 115 O SER A 19 10.366 1.693 -2.277 1.00 0.00 O ATOM 116 CB SER A 19 9.203 4.386 -3.661 1.00 0.00 C ATOM 117 OG SER A 19 9.295 5.501 -4.519 1.00 0.00 O ATOM 0 H SER A 19 9.213 2.489 -5.190 1.00 0.00 H new ATOM 0 HA SER A 19 11.274 4.133 -4.139 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.301 3.816 -3.883 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.124 4.716 -2.625 1.00 0.00 H new ATOM 0 HG SER A 19 9.125 6.321 -4.010 1.00 0.00 H new ATOM 123 N ASP A 20 11.594 3.491 -1.698 1.00 0.00 N ATOM 124 CA ASP A 20 12.010 2.941 -0.423 1.00 0.00 C ATOM 125 C ASP A 20 10.846 2.203 0.223 1.00 0.00 C ATOM 126 O ASP A 20 9.866 2.823 0.631 1.00 0.00 O ATOM 127 CB ASP A 20 12.504 4.068 0.479 1.00 0.00 C ATOM 128 CG ASP A 20 14.000 3.946 0.731 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.736 3.820 -0.272 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.381 3.982 1.921 1.00 0.00 O ATOM 0 H ASP A 20 11.959 4.423 -1.893 1.00 0.00 H new ATOM 0 HA ASP A 20 12.824 2.233 -0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.286 5.031 0.017 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.968 4.041 1.428 1.00 0.00 H new ATOM 136 N MET A 21 10.954 0.876 0.317 1.00 0.00 N ATOM 137 CA MET A 21 9.910 0.066 0.911 1.00 0.00 C ATOM 138 C MET A 21 9.386 0.738 2.172 1.00 0.00 C ATOM 139 O MET A 21 8.178 0.882 2.346 1.00 0.00 O ATOM 140 CB MET A 21 10.463 -1.321 1.229 1.00 0.00 C ATOM 141 CG MET A 21 10.092 -2.286 0.107 1.00 0.00 C ATOM 142 SD MET A 21 11.376 -2.476 -1.154 1.00 0.00 S ATOM 143 CE MET A 21 10.701 -1.376 -2.423 1.00 0.00 C ATOM 0 H MET A 21 11.760 0.346 -0.014 1.00 0.00 H new ATOM 0 HA MET A 21 9.083 -0.037 0.209 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.546 -1.275 1.341 1.00 0.00 H new ATOM 0 HB3 MET A 21 10.060 -1.676 2.177 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.874 -3.263 0.539 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.177 -1.937 -0.371 1.00 0.00 H new ATOM 0 HE1 MET A 21 10.305 -1.970 -3.246 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.902 -0.772 -1.993 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.490 -0.722 -2.795 1.00 0.00 H new ATOM 153 N SER A 22 10.300 1.152 3.052 1.00 0.00 N ATOM 154 CA SER A 22 9.927 1.807 4.289 1.00 0.00 C ATOM 155 C SER A 22 9.172 3.094 3.985 1.00 0.00 C ATOM 156 O SER A 22 8.268 3.476 4.725 1.00 0.00 O ATOM 157 CB SER A 22 11.181 2.098 5.109 1.00 0.00 C ATOM 158 OG SER A 22 10.879 3.044 6.110 1.00 0.00 O ATOM 0 H SER A 22 11.306 1.041 2.922 1.00 0.00 H new ATOM 0 HA SER A 22 9.274 1.153 4.867 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.553 1.179 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.972 2.477 4.462 1.00 0.00 H new ATOM 0 HG SER A 22 11.684 3.230 6.638 1.00 0.00 H new ATOM 164 N ALA A 23 9.544 3.761 2.890 1.00 0.00 N ATOM 165 CA ALA A 23 8.903 4.998 2.494 1.00 0.00 C ATOM 166 C ALA A 23 7.485 4.714 2.018 1.00 0.00 C ATOM 167 O ALA A 23 6.576 5.504 2.264 1.00 0.00 O ATOM 168 CB ALA A 23 9.721 5.664 1.391 1.00 0.00 C ATOM 0 H ALA A 23 10.290 3.456 2.265 1.00 0.00 H new ATOM 0 HA ALA A 23 8.850 5.674 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.239 6.595 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.724 5.877 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.785 4.997 0.532 1.00 0.00 H new ATOM 174 N ILE A 24 7.299 3.583 1.334 1.00 0.00 N ATOM 175 CA ILE A 24 5.996 3.199 0.829 1.00 0.00 C ATOM 176 C ILE A 24 5.042 2.961 1.991 1.00 0.00 C ATOM 177 O ILE A 24 3.999 3.605 2.081 1.00 0.00 O ATOM 178 CB ILE A 24 6.133 1.941 -0.026 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.866 2.282 -1.320 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.746 1.397 -0.355 1.00 0.00 C ATOM 181 CD1 ILE A 24 6.168 3.452 -2.007 1.00 0.00 C ATOM 0 H ILE A 24 8.044 2.920 1.121 1.00 0.00 H new ATOM 0 HA ILE A 24 5.590 4.000 0.211 1.00 0.00 H new ATOM 0 HB ILE A 24 6.698 1.188 0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.904 2.539 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.882 1.415 -1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.843 0.499 -0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.222 1.153 0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.181 2.150 -0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.691 3.696 -2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.138 3.178 -2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.175 4.319 -1.346 1.00 0.00 H new ATOM 193 N VAL A 25 5.402 2.033 2.881 1.00 0.00 N ATOM 194 CA VAL A 25 4.578 1.716 4.030 1.00 0.00 C ATOM 195 C VAL A 25 4.269 2.987 4.808 1.00 0.00 C ATOM 196 O VAL A 25 3.153 3.165 5.291 1.00 0.00 O ATOM 197 CB VAL A 25 5.306 0.706 4.912 1.00 0.00 C ATOM 198 CG1 VAL A 25 4.338 0.149 5.953 1.00 0.00 C ATOM 199 CG2 VAL A 25 5.835 -0.435 4.048 1.00 0.00 C ATOM 0 H VAL A 25 6.264 1.491 2.820 1.00 0.00 H new ATOM 0 HA VAL A 25 3.636 1.278 3.699 1.00 0.00 H new ATOM 0 HB VAL A 25 6.139 1.197 5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.857 -0.573 6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.959 0.964 6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.505 -0.342 5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.355 -1.157 4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.002 -0.926 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.526 -0.038 3.304 1.00 0.00 H new ATOM 209 N ARG A 26 5.261 3.873 4.927 1.00 0.00 N ATOM 210 CA ARG A 26 5.090 5.120 5.644 1.00 0.00 C ATOM 211 C ARG A 26 3.933 5.906 5.044 1.00 0.00 C ATOM 212 O ARG A 26 3.059 6.377 5.768 1.00 0.00 O ATOM 213 CB ARG A 26 6.384 5.926 5.576 1.00 0.00 C ATOM 214 CG ARG A 26 7.191 5.703 6.852 1.00 0.00 C ATOM 215 CD ARG A 26 8.671 5.943 6.567 1.00 0.00 C ATOM 216 NE ARG A 26 8.987 7.371 6.600 1.00 0.00 N ATOM 217 CZ ARG A 26 10.241 7.835 6.691 1.00 0.00 C ATOM 218 NH1 ARG A 26 11.269 6.978 6.756 1.00 0.00 N ATOM 219 NH2 ARG A 26 10.466 9.155 6.718 1.00 0.00 N ATOM 0 H ARG A 26 6.192 3.741 4.531 1.00 0.00 H new ATOM 0 HA ARG A 26 4.860 4.914 6.689 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.968 5.624 4.707 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.159 6.986 5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.847 6.378 7.635 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.040 4.687 7.217 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.277 5.416 7.304 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.928 5.533 5.590 1.00 0.00 H new ATOM 0 HE ARG A 26 8.220 8.042 6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.097 5.973 6.736 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.224 7.331 6.825 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.683 9.807 6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.420 9.508 6.787 1.00 0.00 H new ATOM 233 N VAL A 27 3.930 6.046 3.716 1.00 0.00 N ATOM 234 CA VAL A 27 2.883 6.773 3.026 1.00 0.00 C ATOM 235 C VAL A 27 1.526 6.187 3.388 1.00 0.00 C ATOM 236 O VAL A 27 0.657 6.894 3.894 1.00 0.00 O ATOM 237 CB VAL A 27 3.121 6.698 1.521 1.00 0.00 C ATOM 238 CG1 VAL A 27 2.235 7.721 0.815 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.586 7.002 1.222 1.00 0.00 C ATOM 0 H VAL A 27 4.648 5.660 3.103 1.00 0.00 H new ATOM 0 HA VAL A 27 2.898 7.819 3.331 1.00 0.00 H new ATOM 0 HB VAL A 27 2.877 5.697 1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.404 7.668 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.188 7.505 1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.479 8.722 1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.757 6.949 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.830 8.003 1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.219 6.272 1.727 1.00 0.00 H new ATOM 249 N MET A 28 1.344 4.890 3.128 1.00 0.00 N ATOM 250 CA MET A 28 0.094 4.220 3.427 1.00 0.00 C ATOM 251 C MET A 28 -0.333 4.533 4.853 1.00 0.00 C ATOM 252 O MET A 28 -1.522 4.680 5.130 1.00 0.00 O ATOM 253 CB MET A 28 0.266 2.716 3.233 1.00 0.00 C ATOM 254 CG MET A 28 1.073 2.455 1.964 1.00 0.00 C ATOM 255 SD MET A 28 0.581 0.957 1.076 1.00 0.00 S ATOM 256 CE MET A 28 1.297 -0.284 2.182 1.00 0.00 C ATOM 0 H MET A 28 2.054 4.289 2.710 1.00 0.00 H new ATOM 0 HA MET A 28 -0.683 4.575 2.751 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.774 2.283 4.095 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.709 2.234 3.162 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.970 3.311 1.297 1.00 0.00 H new ATOM 0 HG3 MET A 28 2.129 2.380 2.226 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.561 -1.173 1.609 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.192 0.122 2.654 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.570 -0.550 2.950 1.00 0.00 H new ATOM 266 N GLN A 29 0.640 4.636 5.761 1.00 0.00 N ATOM 267 CA GLN A 29 0.360 4.930 7.152 1.00 0.00 C ATOM 268 C GLN A 29 -0.286 6.303 7.270 1.00 0.00 C ATOM 269 O GLN A 29 -1.269 6.469 7.989 1.00 0.00 O ATOM 270 CB GLN A 29 1.658 4.873 7.953 1.00 0.00 C ATOM 271 CG GLN A 29 1.812 3.488 8.576 1.00 0.00 C ATOM 272 CD GLN A 29 3.160 3.352 9.270 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.864 2.363 9.073 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.517 4.348 10.084 1.00 0.00 N ATOM 0 H GLN A 29 1.631 4.518 5.548 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.333 4.190 7.552 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.507 5.088 7.305 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.651 5.635 8.732 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.010 3.316 9.294 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.717 2.725 7.804 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.897 5.148 10.214 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.410 4.309 10.576 1.00 0.00 H new ATOM 283 N LEU A 30 0.268 7.288 6.559 1.00 0.00 N ATOM 284 CA LEU A 30 -0.256 8.639 6.587 1.00 0.00 C ATOM 285 C LEU A 30 -1.704 8.641 6.118 1.00 0.00 C ATOM 286 O LEU A 30 -2.034 8.015 5.113 1.00 0.00 O ATOM 287 CB LEU A 30 0.602 9.535 5.697 1.00 0.00 C ATOM 288 CG LEU A 30 2.028 9.572 6.238 1.00 0.00 C ATOM 289 CD1 LEU A 30 3.008 9.735 5.079 1.00 0.00 C ATOM 290 CD2 LEU A 30 2.178 10.748 7.199 1.00 0.00 C ATOM 0 H LEU A 30 1.082 7.166 5.957 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.225 9.024 7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.599 9.159 4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.186 10.542 5.668 1.00 0.00 H new ATOM 0 HG LEU A 30 2.240 8.642 6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.027 9.762 5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.902 8.895 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.796 10.665 4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.197 10.774 7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.966 11.678 6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.479 10.633 8.027 1.00 0.00 H new ATOM 302 N PRO A 31 -2.568 9.349 6.849 1.00 0.00 N ATOM 303 CA PRO A 31 -3.980 9.467 6.555 1.00 0.00 C ATOM 304 C PRO A 31 -4.174 10.357 5.335 1.00 0.00 C ATOM 305 O PRO A 31 -5.305 10.656 4.956 1.00 0.00 O ATOM 306 CB PRO A 31 -4.587 10.107 7.801 1.00 0.00 C ATOM 307 CG PRO A 31 -3.438 10.957 8.339 1.00 0.00 C ATOM 308 CD PRO A 31 -2.214 10.097 8.036 1.00 0.00 C ATOM 0 HA PRO A 31 -4.448 8.509 6.329 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.460 10.713 7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.909 9.358 8.524 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.385 11.926 7.843 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.543 11.150 9.407 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.331 10.713 7.866 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.983 9.432 8.868 1.00 0.00 H new ATOM 316 N ASP A 32 -3.068 10.781 4.721 1.00 0.00 N ATOM 317 CA ASP A 32 -3.122 11.635 3.551 1.00 0.00 C ATOM 318 C ASP A 32 -2.628 10.870 2.332 1.00 0.00 C ATOM 319 O ASP A 32 -2.335 11.468 1.299 1.00 0.00 O ATOM 320 CB ASP A 32 -2.271 12.879 3.791 1.00 0.00 C ATOM 321 CG ASP A 32 -3.051 13.929 4.569 1.00 0.00 C ATOM 322 OD1 ASP A 32 -2.677 14.162 5.739 1.00 0.00 O ATOM 323 OD2 ASP A 32 -4.006 14.480 3.979 1.00 0.00 O ATOM 0 H ASP A 32 -2.124 10.541 5.022 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.151 11.945 3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.370 12.608 4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.948 13.294 2.836 1.00 0.00 H new ATOM 329 N SER A 33 -2.536 9.543 2.454 1.00 0.00 N ATOM 330 CA SER A 33 -2.079 8.707 1.362 1.00 0.00 C ATOM 331 C SER A 33 -3.274 8.181 0.579 1.00 0.00 C ATOM 332 O SER A 33 -3.480 8.561 -0.572 1.00 0.00 O ATOM 333 CB SER A 33 -1.249 7.554 1.919 1.00 0.00 C ATOM 334 OG SER A 33 -1.979 6.895 2.930 1.00 0.00 O ATOM 0 H SER A 33 -2.775 9.032 3.304 1.00 0.00 H new ATOM 0 HA SER A 33 -1.457 9.293 0.686 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.998 6.854 1.122 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.308 7.930 2.321 1.00 0.00 H new ATOM 0 HG SER A 33 -1.586 7.100 3.804 1.00 0.00 H new ATOM 340 N GLY A 34 -4.064 7.307 1.206 1.00 0.00 N ATOM 341 CA GLY A 34 -5.232 6.738 0.562 1.00 0.00 C ATOM 342 C GLY A 34 -5.410 5.285 0.980 1.00 0.00 C ATOM 343 O GLY A 34 -5.703 4.429 0.149 1.00 0.00 O ATOM 0 H GLY A 34 -3.909 6.982 2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.119 7.312 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.126 6.802 -0.521 1.00 0.00 H new ATOM 347 N LEU A 35 -5.231 5.009 2.274 1.00 0.00 N ATOM 348 CA LEU A 35 -5.372 3.664 2.796 1.00 0.00 C ATOM 349 C LEU A 35 -5.697 3.718 4.282 1.00 0.00 C ATOM 350 O LEU A 35 -6.602 3.028 4.747 1.00 0.00 O ATOM 351 CB LEU A 35 -4.082 2.887 2.552 1.00 0.00 C ATOM 352 CG LEU A 35 -4.420 1.464 2.118 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.044 0.709 3.288 1.00 0.00 C ATOM 354 CD2 LEU A 35 -5.407 1.508 0.955 1.00 0.00 C ATOM 0 H LEU A 35 -4.987 5.708 2.975 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.189 3.155 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.487 3.381 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.479 2.868 3.460 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.510 0.955 1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.285 -0.308 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.338 0.677 4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.955 1.217 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.649 0.492 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.318 2.018 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.960 2.046 0.119 1.00 0.00 H new ATOM 366 N GLU A 36 -4.955 4.541 5.027 1.00 0.00 N ATOM 367 CA GLU A 36 -5.171 4.678 6.454 1.00 0.00 C ATOM 368 C GLU A 36 -5.031 3.324 7.134 1.00 0.00 C ATOM 369 O GLU A 36 -5.865 2.441 6.942 1.00 0.00 O ATOM 370 CB GLU A 36 -6.556 5.268 6.703 1.00 0.00 C ATOM 371 CG GLU A 36 -6.509 6.180 7.925 1.00 0.00 C ATOM 372 CD GLU A 36 -7.359 7.424 7.708 1.00 0.00 C ATOM 373 OE1 GLU A 36 -7.317 7.949 6.574 1.00 0.00 O ATOM 374 OE2 GLU A 36 -8.034 7.826 8.680 1.00 0.00 O ATOM 0 H GLU A 36 -4.201 5.120 4.657 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.422 5.349 6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.886 5.830 5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.280 4.469 6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.866 5.639 8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.478 6.470 8.128 1.00 0.00 H new ATOM 382 N ILE A 37 -3.972 3.162 7.931 1.00 0.00 N ATOM 383 CA ILE A 37 -3.727 1.920 8.637 1.00 0.00 C ATOM 384 C ILE A 37 -3.913 2.133 10.133 1.00 0.00 C ATOM 385 O ILE A 37 -3.050 2.710 10.791 1.00 0.00 O ATOM 386 CB ILE A 37 -2.314 1.431 8.331 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.917 1.872 6.925 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.273 -0.092 8.417 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.797 1.161 5.901 1.00 0.00 C ATOM 0 H ILE A 37 -3.272 3.885 8.098 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.438 1.163 8.307 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.618 1.855 9.055 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.026 2.952 6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.868 1.640 6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.264 -0.442 8.199 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.557 -0.408 9.421 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.969 -0.516 7.693 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.514 1.476 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.665 0.083 5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.842 1.416 6.080 1.00 0.00 H new ATOM 401 N ARG A 38 -5.043 1.666 10.668 1.00 0.00 N ATOM 402 CA ARG A 38 -5.336 1.808 12.080 1.00 0.00 C ATOM 403 C ARG A 38 -6.740 1.295 12.369 1.00 0.00 C ATOM 404 O ARG A 38 -6.995 0.752 13.442 1.00 0.00 O ATOM 405 CB ARG A 38 -5.204 3.275 12.481 1.00 0.00 C ATOM 406 CG ARG A 38 -3.990 3.446 13.389 1.00 0.00 C ATOM 407 CD ARG A 38 -3.160 4.634 12.910 1.00 0.00 C ATOM 408 NE ARG A 38 -2.680 5.429 14.041 1.00 0.00 N ATOM 409 CZ ARG A 38 -3.502 6.116 14.846 1.00 0.00 C ATOM 410 NH1 ARG A 38 -4.824 6.092 14.632 1.00 0.00 N ATOM 411 NH2 ARG A 38 -3.001 6.827 15.866 1.00 0.00 N ATOM 0 H ARG A 38 -5.768 1.185 10.135 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.628 1.220 12.664 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.098 3.898 11.593 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.106 3.605 12.996 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.312 3.605 14.418 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.385 2.539 13.380 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.312 4.277 12.326 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.761 5.260 12.250 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.677 5.462 14.224 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.205 5.551 13.856 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.449 6.615 15.245 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.994 6.845 16.029 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.626 7.350 16.479 1.00 0.00 H new ATOM 425 N ASP A 39 -7.651 1.468 11.409 1.00 0.00 N ATOM 426 CA ASP A 39 -9.021 1.023 11.566 1.00 0.00 C ATOM 427 C ASP A 39 -9.572 0.569 10.222 1.00 0.00 C ATOM 428 O ASP A 39 -9.375 1.239 9.211 1.00 0.00 O ATOM 429 CB ASP A 39 -9.861 2.160 12.140 1.00 0.00 C ATOM 430 CG ASP A 39 -9.074 2.948 13.177 1.00 0.00 C ATOM 431 OD1 ASP A 39 -8.355 3.880 12.756 1.00 0.00 O ATOM 432 OD2 ASP A 39 -9.206 2.604 14.372 1.00 0.00 O ATOM 0 H ASP A 39 -7.455 1.916 10.514 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.058 0.179 12.255 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.178 2.825 11.336 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.765 1.756 12.594 1.00 0.00 H new ATOM 438 N ARG A 40 -10.265 -0.572 10.213 1.00 0.00 N ATOM 439 CA ARG A 40 -10.838 -1.109 8.995 1.00 0.00 C ATOM 440 C ARG A 40 -11.997 -2.035 9.336 1.00 0.00 C ATOM 441 O ARG A 40 -12.326 -2.216 10.506 1.00 0.00 O ATOM 442 CB ARG A 40 -9.762 -1.855 8.212 1.00 0.00 C ATOM 443 CG ARG A 40 -9.055 -0.885 7.269 1.00 0.00 C ATOM 444 CD ARG A 40 -9.264 -1.337 5.826 1.00 0.00 C ATOM 445 NE ARG A 40 -9.523 -0.193 4.950 1.00 0.00 N ATOM 446 CZ ARG A 40 -10.212 -0.297 3.806 1.00 0.00 C ATOM 447 NH1 ARG A 40 -10.698 -1.486 3.422 1.00 0.00 N ATOM 448 NH2 ARG A 40 -10.416 0.787 3.045 1.00 0.00 N ATOM 0 H ARG A 40 -10.439 -1.138 11.044 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.218 -0.295 8.378 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.042 -2.302 8.898 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.210 -2.670 7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.446 0.123 7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.990 -0.848 7.499 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.381 -1.874 5.478 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.101 -2.034 5.777 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.164 0.722 5.222 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.543 -2.311 4.001 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.223 -1.565 2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.047 1.692 3.337 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.941 0.707 2.174 1.00 0.00 H new ATOM 462 N MET A 41 -12.615 -2.625 8.310 1.00 0.00 N ATOM 463 CA MET A 41 -13.731 -3.527 8.508 1.00 0.00 C ATOM 464 C MET A 41 -13.451 -4.857 7.824 1.00 0.00 C ATOM 465 O MET A 41 -12.795 -4.898 6.785 1.00 0.00 O ATOM 466 CB MET A 41 -15.002 -2.891 7.953 1.00 0.00 C ATOM 467 CG MET A 41 -15.528 -1.856 8.943 1.00 0.00 C ATOM 468 SD MET A 41 -17.334 -1.737 8.991 1.00 0.00 S ATOM 469 CE MET A 41 -17.707 -3.314 9.796 1.00 0.00 C ATOM 0 H MET A 41 -12.353 -2.488 7.334 1.00 0.00 H new ATOM 0 HA MET A 41 -13.867 -3.713 9.573 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.795 -2.419 6.993 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.757 -3.657 7.776 1.00 0.00 H new ATOM 0 HG2 MET A 41 -15.164 -2.103 9.940 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.116 -0.880 8.686 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.744 -3.586 9.600 1.00 0.00 H new ATOM 0 HE2 MET A 41 -17.048 -4.088 9.403 1.00 0.00 H new ATOM 0 HE3 MET A 41 -17.554 -3.219 10.871 1.00 0.00 H new ATOM 479 N TRP A 42 -13.951 -5.948 8.409 1.00 0.00 N ATOM 480 CA TRP A 42 -13.752 -7.270 7.849 1.00 0.00 C ATOM 481 C TRP A 42 -14.713 -8.257 8.496 1.00 0.00 C ATOM 482 O TRP A 42 -14.901 -8.240 9.710 1.00 0.00 O ATOM 483 CB TRP A 42 -12.305 -7.702 8.069 1.00 0.00 C ATOM 484 CG TRP A 42 -11.969 -9.065 7.555 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.489 -10.084 8.300 1.00 0.00 C ATOM 486 CD2 TRP A 42 -12.076 -9.582 6.194 1.00 0.00 C ATOM 487 NE1 TRP A 42 -11.294 -11.189 7.499 1.00 0.00 N ATOM 488 CE2 TRP A 42 -11.640 -10.935 6.188 1.00 0.00 C ATOM 489 CE3 TRP A 42 -12.497 -9.047 4.963 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -11.622 -11.714 5.028 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -12.483 -9.820 3.793 1.00 0.00 C ATOM 492 CH2 TRP A 42 -12.047 -11.150 3.822 1.00 0.00 C ATOM 0 H TRP A 42 -14.496 -5.933 9.271 1.00 0.00 H new ATOM 0 HA TRP A 42 -13.953 -7.248 6.778 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.648 -6.977 7.589 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.090 -7.669 9.137 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.289 -10.040 9.360 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.938 -12.084 7.834 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.837 -8.023 4.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.284 -12.739 5.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.812 -9.385 2.861 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.039 -11.738 2.916 1.00 0.00 H new ATOM 503 N LEU A 43 -15.324 -9.119 7.680 1.00 0.00 N ATOM 504 CA LEU A 43 -16.261 -10.108 8.174 1.00 0.00 C ATOM 505 C LEU A 43 -17.528 -9.420 8.661 1.00 0.00 C ATOM 506 O LEU A 43 -18.368 -10.045 9.305 1.00 0.00 O ATOM 507 CB LEU A 43 -15.612 -10.905 9.301 1.00 0.00 C ATOM 508 CG LEU A 43 -15.058 -12.213 8.744 1.00 0.00 C ATOM 509 CD1 LEU A 43 -13.533 -12.158 8.736 1.00 0.00 C ATOM 510 CD2 LEU A 43 -15.521 -13.375 9.618 1.00 0.00 C ATOM 0 H LEU A 43 -15.180 -9.145 6.671 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.529 -10.793 7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.811 -10.324 9.758 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.343 -11.111 10.083 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.421 -12.357 7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.137 -13.092 8.338 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.202 -11.328 8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.169 -12.014 9.753 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.125 -14.310 9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.159 -13.232 10.636 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.610 -13.415 9.623 1.00 0.00 H new ATOM 522 N LYS A 44 -17.665 -8.128 8.353 1.00 0.00 N ATOM 523 CA LYS A 44 -18.827 -7.364 8.761 1.00 0.00 C ATOM 524 C LYS A 44 -18.621 -6.818 10.166 1.00 0.00 C ATOM 525 O LYS A 44 -19.578 -6.422 10.827 1.00 0.00 O ATOM 526 CB LYS A 44 -20.065 -8.255 8.703 1.00 0.00 C ATOM 527 CG LYS A 44 -21.310 -7.385 8.560 1.00 0.00 C ATOM 528 CD LYS A 44 -22.224 -7.974 7.489 1.00 0.00 C ATOM 529 CE LYS A 44 -23.541 -8.406 8.125 1.00 0.00 C ATOM 530 NZ LYS A 44 -24.195 -9.453 7.325 1.00 0.00 N ATOM 0 H LYS A 44 -16.978 -7.595 7.820 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.968 -6.521 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -19.991 -8.944 7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -20.133 -8.861 9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -21.838 -7.328 9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -21.026 -6.367 8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -22.410 -7.236 6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.741 -8.827 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -23.358 -8.776 9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -24.204 -7.546 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -25.089 -9.729 7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -24.390 -9.090 6.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -23.569 -10.281 7.259 1.00 0.00 H new ATOM 544 N ILE A 45 -17.366 -6.798 10.622 1.00 0.00 N ATOM 545 CA ILE A 45 -17.038 -6.301 11.943 1.00 0.00 C ATOM 546 C ILE A 45 -16.098 -5.109 11.826 1.00 0.00 C ATOM 547 O ILE A 45 -15.747 -4.700 10.721 1.00 0.00 O ATOM 548 CB ILE A 45 -16.396 -7.418 12.761 1.00 0.00 C ATOM 549 CG1 ILE A 45 -16.960 -8.764 12.316 1.00 0.00 C ATOM 550 CG2 ILE A 45 -16.701 -7.203 14.241 1.00 0.00 C ATOM 551 CD1 ILE A 45 -16.231 -9.888 13.047 1.00 0.00 C ATOM 0 H ILE A 45 -16.562 -7.124 10.085 1.00 0.00 H new ATOM 0 HA ILE A 45 -17.946 -5.974 12.449 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.317 -7.408 12.606 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -18.028 -8.811 12.528 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.843 -8.881 11.239 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.243 -8.000 14.826 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.298 -6.242 14.560 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.780 -7.213 14.395 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.634 -10.850 12.729 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.167 -9.845 12.813 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -16.371 -9.773 14.122 1.00 0.00 H new ATOM 563 N THR A 46 -15.691 -4.551 12.968 1.00 0.00 N ATOM 564 CA THR A 46 -14.796 -3.412 12.983 1.00 0.00 C ATOM 565 C THR A 46 -13.510 -3.772 13.712 1.00 0.00 C ATOM 566 O THR A 46 -13.542 -4.460 14.731 1.00 0.00 O ATOM 567 CB THR A 46 -15.488 -2.231 13.657 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.572 -1.805 12.863 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.495 -1.084 13.819 1.00 0.00 C ATOM 0 H THR A 46 -15.973 -4.877 13.893 1.00 0.00 H new ATOM 0 HA THR A 46 -14.542 -3.133 11.960 1.00 0.00 H new ATOM 0 HB THR A 46 -15.854 -2.536 14.637 1.00 0.00 H new ATOM 0 HG1 THR A 46 -17.017 -1.048 13.297 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.989 -0.240 14.300 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.657 -1.412 14.434 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.129 -0.779 12.839 1.00 0.00 H new ATOM 577 N ILE A 47 -12.375 -3.304 13.188 1.00 0.00 N ATOM 578 CA ILE A 47 -11.084 -3.575 13.790 1.00 0.00 C ATOM 579 C ILE A 47 -10.336 -2.268 14.014 1.00 0.00 C ATOM 580 O ILE A 47 -10.653 -1.256 13.393 1.00 0.00 O ATOM 581 CB ILE A 47 -10.286 -4.507 12.882 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.061 -5.806 12.678 1.00 0.00 C ATOM 583 CG2 ILE A 47 -8.939 -4.815 13.528 1.00 0.00 C ATOM 584 CD1 ILE A 47 -11.754 -5.777 11.319 1.00 0.00 C ATOM 0 H ILE A 47 -12.333 -2.733 12.344 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.222 -4.061 14.756 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.125 -4.025 11.918 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.384 -6.658 12.735 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.798 -5.931 13.471 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.368 -5.481 12.880 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.385 -3.888 13.674 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.100 -5.297 14.492 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.308 -6.705 11.173 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.443 -4.933 11.280 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.007 -5.672 10.532 1.00 0.00 H new ATOM 596 N ALA A 48 -9.342 -2.293 14.904 1.00 0.00 N ATOM 597 CA ALA A 48 -8.556 -1.113 15.205 1.00 0.00 C ATOM 598 C ALA A 48 -7.135 -1.295 14.693 1.00 0.00 C ATOM 599 O ALA A 48 -6.175 -1.007 15.404 1.00 0.00 O ATOM 600 CB ALA A 48 -8.561 -0.871 16.712 1.00 0.00 C ATOM 0 H ALA A 48 -9.068 -3.125 15.426 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.991 -0.245 14.709 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.970 0.016 16.940 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.585 -0.722 17.053 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.131 -1.734 17.220 1.00 0.00 H new ATOM 606 N ASN A 49 -7.002 -1.775 13.454 1.00 0.00 N ATOM 607 CA ASN A 49 -5.700 -1.991 12.856 1.00 0.00 C ATOM 608 C ASN A 49 -5.781 -3.111 11.828 1.00 0.00 C ATOM 609 O ASN A 49 -5.583 -4.278 12.160 1.00 0.00 O ATOM 610 CB ASN A 49 -4.690 -2.333 13.948 1.00 0.00 C ATOM 611 CG ASN A 49 -3.884 -1.104 14.345 1.00 0.00 C ATOM 612 OD1 ASN A 49 -3.859 -0.114 13.618 1.00 0.00 O ATOM 613 ND2 ASN A 49 -3.225 -1.170 15.504 1.00 0.00 N ATOM 0 H ASN A 49 -7.788 -2.019 12.851 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.375 -1.083 12.349 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.211 -2.729 14.820 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.018 -3.116 13.596 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.669 -0.375 15.821 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.277 -2.015 16.073 1.00 0.00 H new ATOM 620 N ALA A 50 -6.073 -2.753 10.575 1.00 0.00 N ATOM 621 CA ALA A 50 -6.179 -3.725 9.507 1.00 0.00 C ATOM 622 C ALA A 50 -5.862 -3.063 8.174 1.00 0.00 C ATOM 623 O ALA A 50 -5.991 -1.849 8.035 1.00 0.00 O ATOM 624 CB ALA A 50 -7.586 -4.316 9.496 1.00 0.00 C ATOM 0 H ALA A 50 -6.239 -1.790 10.284 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.462 -4.530 9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.667 -5.048 8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.784 -4.803 10.451 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.314 -3.520 9.337 1.00 0.00 H new ATOM 630 N VAL A 51 -5.445 -3.866 7.191 1.00 0.00 N ATOM 631 CA VAL A 51 -5.111 -3.355 5.877 1.00 0.00 C ATOM 632 C VAL A 51 -4.597 -4.488 5.000 1.00 0.00 C ATOM 633 O VAL A 51 -5.117 -4.718 3.910 1.00 0.00 O ATOM 634 CB VAL A 51 -4.062 -2.255 6.010 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.752 -0.895 6.036 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.280 -2.454 7.305 1.00 0.00 C ATOM 0 H VAL A 51 -5.333 -4.875 7.290 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.001 -2.934 5.409 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.379 -2.299 5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.003 -0.109 6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.312 -0.753 5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.435 -0.850 6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.530 -1.669 7.401 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.963 -2.409 8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.787 -3.426 7.287 1.00 0.00 H new ATOM 646 N ILE A 52 -3.573 -5.198 5.479 1.00 0.00 N ATOM 647 CA ILE A 52 -2.994 -6.303 4.741 1.00 0.00 C ATOM 648 C ILE A 52 -2.558 -5.829 3.362 1.00 0.00 C ATOM 649 O ILE A 52 -2.852 -4.702 2.970 1.00 0.00 O ATOM 650 CB ILE A 52 -4.017 -7.430 4.629 1.00 0.00 C ATOM 651 CG1 ILE A 52 -3.323 -8.771 4.850 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.649 -7.406 3.240 1.00 0.00 C ATOM 653 CD1 ILE A 52 -4.346 -9.898 4.734 1.00 0.00 C ATOM 0 H ILE A 52 -3.131 -5.019 6.381 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.117 -6.679 5.268 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.792 -7.294 5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.530 -8.908 4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.853 -8.792 5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.380 -8.211 3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.145 -6.448 3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.874 -7.542 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.851 -10.856 4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.123 -9.763 5.486 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.795 -9.881 3.741 1.00 0.00 H new ATOM 665 N GLY A 53 -1.857 -6.693 2.624 1.00 0.00 N ATOM 666 CA GLY A 53 -1.388 -6.353 1.296 1.00 0.00 C ATOM 667 C GLY A 53 -2.554 -5.920 0.419 1.00 0.00 C ATOM 668 O GLY A 53 -2.407 -5.037 -0.423 1.00 0.00 O ATOM 0 H GLY A 53 -1.606 -7.632 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.652 -5.551 1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.887 -7.212 0.849 1.00 0.00 H new ATOM 672 N ALA A 54 -3.717 -6.545 0.620 1.00 0.00 N ATOM 673 CA ALA A 54 -4.901 -6.224 -0.151 1.00 0.00 C ATOM 674 C ALA A 54 -5.085 -4.714 -0.208 1.00 0.00 C ATOM 675 O ALA A 54 -5.034 -4.121 -1.283 1.00 0.00 O ATOM 676 CB ALA A 54 -6.117 -6.893 0.482 1.00 0.00 C ATOM 0 H ALA A 54 -3.855 -7.278 1.316 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.788 -6.596 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.008 -6.652 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.973 -7.973 0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.240 -6.533 1.503 1.00 0.00 H new ATOM 682 N ASP A 55 -5.299 -4.093 0.954 1.00 0.00 N ATOM 683 CA ASP A 55 -5.491 -2.658 1.029 1.00 0.00 C ATOM 684 C ASP A 55 -4.242 -1.945 0.532 1.00 0.00 C ATOM 685 O ASP A 55 -4.332 -1.024 -0.277 1.00 0.00 O ATOM 686 CB ASP A 55 -5.802 -2.263 2.470 1.00 0.00 C ATOM 687 CG ASP A 55 -6.782 -1.099 2.515 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.413 -0.930 3.581 1.00 0.00 O ATOM 689 OD2 ASP A 55 -6.882 -0.401 1.484 1.00 0.00 O ATOM 0 H ASP A 55 -5.342 -4.571 1.854 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.329 -2.365 0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.221 -3.117 3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.880 -1.988 2.983 1.00 0.00 H new ATOM 695 N VAL A 56 -3.074 -2.374 1.017 1.00 0.00 N ATOM 696 CA VAL A 56 -1.815 -1.775 0.620 1.00 0.00 C ATOM 697 C VAL A 56 -1.742 -1.690 -0.898 1.00 0.00 C ATOM 698 O VAL A 56 -1.113 -0.784 -1.440 1.00 0.00 O ATOM 699 CB VAL A 56 -0.661 -2.608 1.172 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.660 -1.902 0.880 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.828 -2.771 2.680 1.00 0.00 C ATOM 0 H VAL A 56 -2.983 -3.137 1.687 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.743 -0.765 1.025 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.661 -3.590 0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.485 -2.496 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.779 -1.784 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.661 -0.921 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.004 -3.366 3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.827 -1.790 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.772 -3.274 2.889 1.00 0.00 H new ATOM 711 N VAL A 57 -2.387 -2.637 -1.582 1.00 0.00 N ATOM 712 CA VAL A 57 -2.392 -2.665 -3.031 1.00 0.00 C ATOM 713 C VAL A 57 -3.339 -1.598 -3.563 1.00 0.00 C ATOM 714 O VAL A 57 -2.910 -0.666 -4.239 1.00 0.00 O ATOM 715 CB VAL A 57 -2.814 -4.050 -3.511 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.886 -4.060 -5.036 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.793 -5.083 -3.044 1.00 0.00 C ATOM 0 H VAL A 57 -2.913 -3.394 -1.146 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.391 -2.455 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.793 -4.294 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.188 -5.050 -5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.615 -3.322 -5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.907 -3.816 -5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.094 -6.073 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.814 -4.839 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.741 -5.076 -1.955 1.00 0.00 H new ATOM 727 N ASP A 58 -4.630 -1.736 -3.254 1.00 0.00 N ATOM 728 CA ASP A 58 -5.629 -0.786 -3.702 1.00 0.00 C ATOM 729 C ASP A 58 -5.096 0.632 -3.547 1.00 0.00 C ATOM 730 O ASP A 58 -5.502 1.532 -4.279 1.00 0.00 O ATOM 731 CB ASP A 58 -6.908 -0.975 -2.893 1.00 0.00 C ATOM 732 CG ASP A 58 -8.137 -0.689 -3.744 1.00 0.00 C ATOM 733 OD1 ASP A 58 -8.433 0.511 -3.929 1.00 0.00 O ATOM 734 OD2 ASP A 58 -8.758 -1.677 -4.194 1.00 0.00 O ATOM 0 H ASP A 58 -5.001 -2.502 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.853 -0.956 -4.755 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.954 -1.995 -2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.897 -0.312 -2.028 1.00 0.00 H new ATOM 740 N TRP A 59 -4.185 0.830 -2.592 1.00 0.00 N ATOM 741 CA TRP A 59 -3.606 2.136 -2.352 1.00 0.00 C ATOM 742 C TRP A 59 -2.579 2.454 -3.430 1.00 0.00 C ATOM 743 O TRP A 59 -2.803 3.327 -4.265 1.00 0.00 O ATOM 744 CB TRP A 59 -2.962 2.159 -0.969 1.00 0.00 C ATOM 745 CG TRP A 59 -2.607 3.520 -0.462 1.00 0.00 C ATOM 746 CD1 TRP A 59 -3.472 4.394 0.098 1.00 0.00 C ATOM 747 CD2 TRP A 59 -1.307 4.186 -0.456 1.00 0.00 C ATOM 748 NE1 TRP A 59 -2.801 5.548 0.447 1.00 0.00 N ATOM 749 CE2 TRP A 59 -1.461 5.473 0.127 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.015 3.834 -0.884 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -0.393 6.362 0.278 1.00 0.00 C ATOM 752 CZ3 TRP A 59 1.064 4.719 -0.737 1.00 0.00 C ATOM 753 CH2 TRP A 59 0.879 5.980 -0.159 1.00 0.00 C ATOM 0 H TRP A 59 -3.837 0.095 -1.976 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.387 2.895 -2.389 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.643 1.689 -0.259 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.058 1.550 -0.995 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.527 4.217 0.249 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.241 6.356 0.887 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.150 2.866 -1.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.548 7.332 0.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.047 4.424 -1.073 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.715 6.655 -0.051 1.00 0.00 H new ATOM 764 N LEU A 60 -1.451 1.741 -3.410 1.00 0.00 N ATOM 765 CA LEU A 60 -0.397 1.948 -4.383 1.00 0.00 C ATOM 766 C LEU A 60 -1.004 2.263 -5.743 1.00 0.00 C ATOM 767 O LEU A 60 -0.464 3.071 -6.494 1.00 0.00 O ATOM 768 CB LEU A 60 0.479 0.701 -4.458 1.00 0.00 C ATOM 769 CG LEU A 60 1.214 0.516 -3.134 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.615 -0.948 -2.974 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.465 1.390 -3.120 1.00 0.00 C ATOM 0 H LEU A 60 -1.251 1.013 -2.724 1.00 0.00 H new ATOM 0 HA LEU A 60 0.222 2.792 -4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.134 -0.175 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.196 0.795 -5.274 1.00 0.00 H new ATOM 0 HG LEU A 60 0.559 0.805 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.140 -1.080 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.722 -1.573 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.270 -1.238 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.990 1.258 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.120 1.101 -3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.180 2.436 -3.234 1.00 0.00 H new ATOM 783 N TYR A 61 -2.132 1.622 -6.058 1.00 0.00 N ATOM 784 CA TYR A 61 -2.803 1.836 -7.324 1.00 0.00 C ATOM 785 C TYR A 61 -3.629 3.113 -7.260 1.00 0.00 C ATOM 786 O TYR A 61 -3.581 3.932 -8.176 1.00 0.00 O ATOM 787 CB TYR A 61 -3.689 0.634 -7.638 1.00 0.00 C ATOM 788 CG TYR A 61 -4.557 0.827 -8.859 1.00 0.00 C ATOM 789 CD1 TYR A 61 -5.835 1.382 -8.728 1.00 0.00 C ATOM 790 CD2 TYR A 61 -4.082 0.450 -10.121 1.00 0.00 C ATOM 791 CE1 TYR A 61 -6.639 1.561 -9.860 1.00 0.00 C ATOM 792 CE2 TYR A 61 -4.886 0.629 -11.253 1.00 0.00 C ATOM 793 CZ TYR A 61 -6.165 1.185 -11.123 1.00 0.00 C ATOM 794 OH TYR A 61 -6.948 1.360 -12.225 1.00 0.00 O ATOM 0 H TYR A 61 -2.594 0.950 -5.445 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.065 1.944 -8.118 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.059 -0.243 -7.785 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.326 0.428 -6.778 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.201 1.672 -7.754 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.096 0.021 -10.221 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.625 1.989 -9.759 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.520 0.338 -12.227 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.468 1.048 -13.020 1.00 0.00 H new ATOM 804 N THR A 62 -4.389 3.282 -6.176 1.00 0.00 N ATOM 805 CA THR A 62 -5.218 4.458 -6.003 1.00 0.00 C ATOM 806 C THR A 62 -4.386 5.601 -5.440 1.00 0.00 C ATOM 807 O THR A 62 -4.931 6.593 -4.961 1.00 0.00 O ATOM 808 CB THR A 62 -6.381 4.127 -5.072 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.388 5.104 -5.213 1.00 0.00 O ATOM 810 CG2 THR A 62 -5.888 4.109 -3.628 1.00 0.00 C ATOM 0 H THR A 62 -4.442 2.613 -5.408 1.00 0.00 H new ATOM 0 HA THR A 62 -5.618 4.769 -6.968 1.00 0.00 H new ATOM 0 HB THR A 62 -6.785 3.148 -5.330 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.982 5.996 -5.201 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.719 3.873 -2.963 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.109 3.354 -3.519 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.483 5.088 -3.369 1.00 0.00 H new ATOM 818 N HIS A 63 -3.059 5.461 -5.498 1.00 0.00 N ATOM 819 CA HIS A 63 -2.163 6.481 -4.992 1.00 0.00 C ATOM 820 C HIS A 63 -1.197 6.914 -6.087 1.00 0.00 C ATOM 821 O HIS A 63 -1.287 8.030 -6.592 1.00 0.00 O ATOM 822 CB HIS A 63 -1.403 5.937 -3.786 1.00 0.00 C ATOM 823 CG HIS A 63 -1.114 6.995 -2.757 1.00 0.00 C ATOM 824 ND1 HIS A 63 0.057 7.691 -2.623 1.00 0.00 N flip ATOM 825 CD2 HIS A 63 -1.978 7.436 -1.781 1.00 0.00 C flip ATOM 826 CE1 HIS A 63 -0.091 8.573 -1.548 1.00 0.00 C flip ATOM 827 NE2 HIS A 63 -1.334 8.382 -1.074 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.589 4.646 -5.893 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.740 7.352 -4.680 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.984 5.138 -3.326 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.464 5.496 -4.122 1.00 0.00 H new ATOM 0 HD1 HIS A 63 0.889 7.585 -3.204 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.986 7.087 -1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.646 9.268 -1.174 1.00 0.00 H new ATOM 835 N VAL A 64 -0.270 6.024 -6.451 1.00 0.00 N ATOM 836 CA VAL A 64 0.707 6.316 -7.481 1.00 0.00 C ATOM 837 C VAL A 64 0.646 5.249 -8.565 1.00 0.00 C ATOM 838 O VAL A 64 -0.228 4.386 -8.541 1.00 0.00 O ATOM 839 CB VAL A 64 2.099 6.377 -6.859 1.00 0.00 C ATOM 840 CG1 VAL A 64 2.135 7.476 -5.801 1.00 0.00 C ATOM 841 CG2 VAL A 64 2.424 5.035 -6.210 1.00 0.00 C ATOM 0 H VAL A 64 -0.183 5.094 -6.041 1.00 0.00 H new ATOM 0 HA VAL A 64 0.485 7.281 -7.936 1.00 0.00 H new ATOM 0 HB VAL A 64 2.835 6.594 -7.633 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.129 7.520 -5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.902 8.435 -6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.400 7.259 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.418 5.077 -5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.689 4.818 -5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.397 4.250 -6.965 1.00 0.00 H new ATOM 851 N GLU A 65 1.580 5.309 -9.517 1.00 0.00 N ATOM 852 CA GLU A 65 1.626 4.347 -10.601 1.00 0.00 C ATOM 853 C GLU A 65 3.072 3.993 -10.920 1.00 0.00 C ATOM 854 O GLU A 65 3.996 4.582 -10.362 1.00 0.00 O ATOM 855 CB GLU A 65 0.929 4.930 -11.826 1.00 0.00 C ATOM 856 CG GLU A 65 1.622 6.227 -12.237 1.00 0.00 C ATOM 857 CD GLU A 65 1.788 6.299 -13.748 1.00 0.00 C ATOM 858 OE1 GLU A 65 0.810 6.713 -14.408 1.00 0.00 O ATOM 859 OE2 GLU A 65 2.890 5.938 -14.216 1.00 0.00 O ATOM 0 H GLU A 65 2.312 6.018 -9.552 1.00 0.00 H new ATOM 0 HA GLU A 65 1.109 3.435 -10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.956 4.215 -12.648 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.121 5.121 -11.604 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.040 7.081 -11.890 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.598 6.290 -11.756 1.00 0.00 H new ATOM 867 N GLY A 66 3.267 3.028 -11.821 1.00 0.00 N ATOM 868 CA GLY A 66 4.599 2.605 -12.207 1.00 0.00 C ATOM 869 C GLY A 66 4.608 1.115 -12.522 1.00 0.00 C ATOM 870 O GLY A 66 5.536 0.618 -13.155 1.00 0.00 O ATOM 0 H GLY A 66 2.513 2.529 -12.293 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.929 3.170 -13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.303 2.818 -11.403 1.00 0.00 H new ATOM 874 N PHE A 67 3.571 0.403 -12.076 1.00 0.00 N ATOM 875 CA PHE A 67 3.467 -1.023 -12.313 1.00 0.00 C ATOM 876 C PHE A 67 2.689 -1.278 -13.596 1.00 0.00 C ATOM 877 O PHE A 67 2.048 -0.373 -14.126 1.00 0.00 O ATOM 878 CB PHE A 67 2.780 -1.686 -11.122 1.00 0.00 C ATOM 879 CG PHE A 67 3.404 -1.333 -9.793 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.797 -1.282 -9.664 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.589 -1.053 -8.690 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.375 -0.953 -8.433 1.00 0.00 C ATOM 883 CE2 PHE A 67 3.167 -0.723 -7.458 1.00 0.00 C ATOM 884 CZ PHE A 67 4.560 -0.673 -7.329 1.00 0.00 C ATOM 0 H PHE A 67 2.794 0.800 -11.548 1.00 0.00 H new ATOM 0 HA PHE A 67 4.463 -1.451 -12.426 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.730 -1.394 -11.110 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.809 -2.768 -11.252 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.426 -1.497 -10.515 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.514 -1.091 -8.789 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.450 -0.915 -8.334 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.538 -0.507 -6.607 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.006 -0.419 -6.379 1.00 0.00 H new ATOM 894 N LYS A 68 2.745 -2.516 -14.094 1.00 0.00 N ATOM 895 CA LYS A 68 2.046 -2.881 -15.310 1.00 0.00 C ATOM 896 C LYS A 68 0.545 -2.901 -15.059 1.00 0.00 C ATOM 897 O LYS A 68 -0.205 -2.179 -15.711 1.00 0.00 O ATOM 898 CB LYS A 68 2.533 -4.247 -15.784 1.00 0.00 C ATOM 899 CG LYS A 68 3.755 -4.069 -16.680 1.00 0.00 C ATOM 900 CD LYS A 68 5.015 -4.436 -15.903 1.00 0.00 C ATOM 901 CE LYS A 68 6.226 -4.356 -16.828 1.00 0.00 C ATOM 902 NZ LYS A 68 7.112 -3.246 -16.443 1.00 0.00 N ATOM 0 H LYS A 68 3.271 -3.278 -13.666 1.00 0.00 H new ATOM 0 HA LYS A 68 2.253 -2.145 -16.087 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.785 -4.872 -14.928 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.740 -4.758 -16.330 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.665 -4.699 -17.565 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.817 -3.038 -17.028 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.144 -3.759 -15.058 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.923 -5.442 -15.494 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.778 -5.295 -16.792 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.894 -4.220 -17.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.928 -3.213 -17.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.589 -2.349 -16.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.446 -3.390 -15.469 1.00 0.00 H new ATOM 916 N GLU A 69 0.108 -3.731 -14.109 1.00 0.00 N ATOM 917 CA GLU A 69 -1.299 -3.838 -13.779 1.00 0.00 C ATOM 918 C GLU A 69 -1.464 -4.485 -12.411 1.00 0.00 C ATOM 919 O GLU A 69 -0.484 -4.696 -11.699 1.00 0.00 O ATOM 920 CB GLU A 69 -2.012 -4.654 -14.853 1.00 0.00 C ATOM 921 CG GLU A 69 -3.453 -4.172 -14.985 1.00 0.00 C ATOM 922 CD GLU A 69 -3.817 -3.943 -16.445 1.00 0.00 C ATOM 923 OE1 GLU A 69 -4.152 -4.947 -17.111 1.00 0.00 O ATOM 924 OE2 GLU A 69 -3.753 -2.769 -16.868 1.00 0.00 O ATOM 0 H GLU A 69 0.717 -4.337 -13.558 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.743 -2.843 -13.742 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.494 -4.551 -15.807 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.994 -5.712 -14.593 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.128 -4.908 -14.549 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.584 -3.247 -14.424 1.00 0.00 H new ATOM 932 N ARG A 70 -2.708 -4.801 -12.045 1.00 0.00 N ATOM 933 CA ARG A 70 -2.996 -5.421 -10.767 1.00 0.00 C ATOM 934 C ARG A 70 -1.910 -6.432 -10.429 1.00 0.00 C ATOM 935 O ARG A 70 -1.550 -6.592 -9.265 1.00 0.00 O ATOM 936 CB ARG A 70 -4.363 -6.096 -10.827 1.00 0.00 C ATOM 937 CG ARG A 70 -4.826 -6.433 -9.413 1.00 0.00 C ATOM 938 CD ARG A 70 -6.066 -7.321 -9.481 1.00 0.00 C ATOM 939 NE ARG A 70 -6.524 -7.687 -8.141 1.00 0.00 N ATOM 940 CZ ARG A 70 -7.605 -8.449 -7.927 1.00 0.00 C ATOM 941 NH1 ARG A 70 -8.316 -8.910 -8.965 1.00 0.00 N ATOM 942 NH2 ARG A 70 -7.976 -8.750 -6.675 1.00 0.00 N ATOM 0 H ARG A 70 -3.530 -4.633 -12.625 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.014 -4.662 -9.985 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.085 -5.437 -11.310 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.306 -7.003 -11.429 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.030 -6.943 -8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.051 -5.518 -8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.863 -6.799 -10.011 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.841 -8.222 -10.051 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.998 -7.348 -7.335 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.034 -8.681 -9.918 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.139 -9.490 -8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.435 -8.399 -5.885 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.799 -9.330 -6.513 1.00 0.00 H new ATOM 956 N ARG A 71 -1.388 -7.114 -11.450 1.00 0.00 N ATOM 957 CA ARG A 71 -0.348 -8.105 -11.257 1.00 0.00 C ATOM 958 C ARG A 71 0.872 -7.455 -10.621 1.00 0.00 C ATOM 959 O ARG A 71 1.140 -7.656 -9.438 1.00 0.00 O ATOM 960 CB ARG A 71 0.012 -8.732 -12.601 1.00 0.00 C ATOM 961 CG ARG A 71 0.041 -10.251 -12.462 1.00 0.00 C ATOM 962 CD ARG A 71 -1.175 -10.849 -13.164 1.00 0.00 C ATOM 963 NE ARG A 71 -0.898 -12.208 -13.629 1.00 0.00 N ATOM 964 CZ ARG A 71 -0.213 -12.465 -14.751 1.00 0.00 C ATOM 965 NH1 ARG A 71 0.252 -11.455 -15.499 1.00 0.00 N ATOM 966 NH2 ARG A 71 0.008 -13.733 -15.126 1.00 0.00 N ATOM 0 H ARG A 71 -1.676 -6.991 -12.421 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.706 -8.889 -10.590 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.716 -8.439 -13.358 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.983 -8.368 -12.936 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.958 -10.649 -12.897 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.040 -10.531 -11.408 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.024 -10.861 -12.481 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.456 -10.222 -14.010 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.241 -12.993 -13.075 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.084 -10.490 -15.214 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.774 -11.651 -16.353 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.346 -14.502 -14.557 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.530 -13.929 -15.980 1.00 0.00 H new ATOM 980 N GLU A 72 1.612 -6.671 -11.408 1.00 0.00 N ATOM 981 CA GLU A 72 2.797 -5.997 -10.916 1.00 0.00 C ATOM 982 C GLU A 72 2.517 -5.388 -9.549 1.00 0.00 C ATOM 983 O GLU A 72 3.361 -5.444 -8.657 1.00 0.00 O ATOM 984 CB GLU A 72 3.218 -4.920 -11.911 1.00 0.00 C ATOM 985 CG GLU A 72 3.967 -5.566 -13.073 1.00 0.00 C ATOM 986 CD GLU A 72 5.158 -6.370 -12.571 1.00 0.00 C ATOM 987 OE1 GLU A 72 5.067 -7.615 -12.629 1.00 0.00 O ATOM 988 OE2 GLU A 72 6.137 -5.725 -12.138 1.00 0.00 O ATOM 0 H GLU A 72 1.404 -6.492 -12.390 1.00 0.00 H new ATOM 0 HA GLU A 72 3.610 -6.715 -10.811 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.341 -4.388 -12.280 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.854 -4.184 -11.419 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.292 -6.217 -13.629 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.308 -4.795 -13.764 1.00 0.00 H new ATOM 996 N ALA A 73 1.326 -4.806 -9.386 1.00 0.00 N ATOM 997 CA ALA A 73 0.941 -4.191 -8.132 1.00 0.00 C ATOM 998 C ALA A 73 1.141 -5.177 -6.991 1.00 0.00 C ATOM 999 O ALA A 73 1.833 -4.876 -6.021 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.515 -3.744 -8.212 1.00 0.00 C ATOM 0 H ALA A 73 0.615 -4.753 -10.116 1.00 0.00 H new ATOM 0 HA ALA A 73 1.565 -3.318 -7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.806 -3.281 -7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.630 -3.023 -9.021 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.151 -4.608 -8.403 1.00 0.00 H new ATOM 1006 N ARG A 74 0.532 -6.360 -7.108 1.00 0.00 N ATOM 1007 CA ARG A 74 0.644 -7.382 -6.088 1.00 0.00 C ATOM 1008 C ARG A 74 2.103 -7.780 -5.915 1.00 0.00 C ATOM 1009 O ARG A 74 2.534 -8.102 -4.810 1.00 0.00 O ATOM 1010 CB ARG A 74 -0.202 -8.589 -6.484 1.00 0.00 C ATOM 1011 CG ARG A 74 -0.692 -9.301 -5.226 1.00 0.00 C ATOM 1012 CD ARG A 74 -2.135 -9.755 -5.428 1.00 0.00 C ATOM 1013 NE ARG A 74 -2.358 -11.075 -4.838 1.00 0.00 N ATOM 1014 CZ ARG A 74 -3.525 -11.726 -4.936 1.00 0.00 C ATOM 1015 NH1 ARG A 74 -4.549 -11.170 -5.597 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -3.668 -12.934 -4.372 1.00 0.00 N ATOM 0 H ARG A 74 -0.044 -6.625 -7.907 1.00 0.00 H new ATOM 0 HA ARG A 74 0.278 -6.994 -5.137 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.051 -8.269 -7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.385 -9.273 -7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.056 -10.160 -5.010 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.627 -8.632 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.814 -9.032 -4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.364 -9.786 -6.493 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.593 -11.519 -4.330 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.440 -10.251 -6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.437 -11.666 -5.671 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.888 -13.357 -3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.556 -13.430 -4.446 1.00 0.00 H new ATOM 1030 N LYS A 75 2.864 -7.758 -7.012 1.00 0.00 N ATOM 1031 CA LYS A 75 4.268 -8.116 -6.974 1.00 0.00 C ATOM 1032 C LYS A 75 5.008 -7.209 -6.001 1.00 0.00 C ATOM 1033 O LYS A 75 5.833 -7.676 -5.219 1.00 0.00 O ATOM 1034 CB LYS A 75 4.859 -8.000 -8.376 1.00 0.00 C ATOM 1035 CG LYS A 75 5.174 -9.394 -8.912 1.00 0.00 C ATOM 1036 CD LYS A 75 6.419 -9.333 -9.791 1.00 0.00 C ATOM 1037 CE LYS A 75 6.165 -10.096 -11.088 1.00 0.00 C ATOM 1038 NZ LYS A 75 6.919 -9.506 -12.204 1.00 0.00 N ATOM 0 H LYS A 75 2.522 -7.494 -7.936 1.00 0.00 H new ATOM 0 HA LYS A 75 4.375 -9.145 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.156 -7.494 -9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.765 -7.395 -8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.334 -10.086 -8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.329 -9.774 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.672 -8.296 -10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.270 -9.764 -9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.453 -11.140 -10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.100 -10.084 -11.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.171 -10.251 -12.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.334 -8.788 -12.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.786 -9.061 -11.841 1.00 0.00 H new ATOM 1052 N TYR A 76 4.710 -5.908 -6.050 1.00 0.00 N ATOM 1053 CA TYR A 76 5.348 -4.946 -5.175 1.00 0.00 C ATOM 1054 C TYR A 76 4.891 -5.169 -3.741 1.00 0.00 C ATOM 1055 O TYR A 76 5.711 -5.399 -2.854 1.00 0.00 O ATOM 1056 CB TYR A 76 5.005 -3.533 -5.639 1.00 0.00 C ATOM 1057 CG TYR A 76 5.717 -2.453 -4.860 1.00 0.00 C ATOM 1058 CD1 TYR A 76 5.220 -2.043 -3.617 1.00 0.00 C ATOM 1059 CD2 TYR A 76 6.875 -1.862 -5.380 1.00 0.00 C ATOM 1060 CE1 TYR A 76 5.881 -1.043 -2.894 1.00 0.00 C ATOM 1061 CE2 TYR A 76 7.535 -0.862 -4.658 1.00 0.00 C ATOM 1062 CZ TYR A 76 7.038 -0.452 -3.415 1.00 0.00 C ATOM 1063 OH TYR A 76 7.682 0.523 -2.711 1.00 0.00 O ATOM 0 H TYR A 76 4.027 -5.505 -6.692 1.00 0.00 H new ATOM 0 HA TYR A 76 6.430 -5.075 -5.214 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.257 -3.435 -6.695 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.929 -3.382 -5.553 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.327 -2.498 -3.216 1.00 0.00 H new ATOM 0 HD2 TYR A 76 7.259 -2.178 -6.339 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.498 -0.728 -1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.428 -0.406 -5.059 1.00 0.00 H new ATOM 0 HH TYR A 76 8.600 0.612 -3.041 1.00 0.00 H new ATOM 1073 N ALA A 77 3.577 -5.101 -3.514 1.00 0.00 N ATOM 1074 CA ALA A 77 3.019 -5.295 -2.191 1.00 0.00 C ATOM 1075 C ALA A 77 3.750 -6.427 -1.483 1.00 0.00 C ATOM 1076 O ALA A 77 4.141 -6.287 -0.327 1.00 0.00 O ATOM 1077 CB ALA A 77 1.529 -5.604 -2.309 1.00 0.00 C ATOM 0 H ALA A 77 2.884 -4.912 -4.238 1.00 0.00 H new ATOM 0 HA ALA A 77 3.143 -4.386 -1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.108 -5.750 -1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.023 -4.772 -2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.391 -6.511 -2.898 1.00 0.00 H new ATOM 1083 N SER A 78 3.933 -7.550 -2.181 1.00 0.00 N ATOM 1084 CA SER A 78 4.616 -8.696 -1.616 1.00 0.00 C ATOM 1085 C SER A 78 6.012 -8.295 -1.163 1.00 0.00 C ATOM 1086 O SER A 78 6.428 -8.630 -0.056 1.00 0.00 O ATOM 1087 CB SER A 78 4.684 -9.810 -2.657 1.00 0.00 C ATOM 1088 OG SER A 78 3.382 -10.124 -3.096 1.00 0.00 O ATOM 0 H SER A 78 3.613 -7.682 -3.141 1.00 0.00 H new ATOM 0 HA SER A 78 4.066 -9.060 -0.748 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.298 -9.496 -3.501 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.158 -10.693 -2.229 1.00 0.00 H new ATOM 0 HG SER A 78 2.775 -10.152 -2.327 1.00 0.00 H new ATOM 1094 N SER A 79 6.736 -7.573 -2.022 1.00 0.00 N ATOM 1095 CA SER A 79 8.078 -7.129 -1.705 1.00 0.00 C ATOM 1096 C SER A 79 8.040 -6.180 -0.516 1.00 0.00 C ATOM 1097 O SER A 79 8.975 -6.142 0.282 1.00 0.00 O ATOM 1098 CB SER A 79 8.688 -6.444 -2.925 1.00 0.00 C ATOM 1099 OG SER A 79 10.078 -6.678 -2.948 1.00 0.00 O ATOM 0 H SER A 79 6.406 -7.287 -2.944 1.00 0.00 H new ATOM 0 HA SER A 79 8.696 -7.987 -1.440 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.229 -6.825 -3.837 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.489 -5.373 -2.892 1.00 0.00 H new ATOM 0 HG SER A 79 10.471 -6.240 -3.732 1.00 0.00 H new ATOM 1105 N MET A 80 6.955 -5.411 -0.397 1.00 0.00 N ATOM 1106 CA MET A 80 6.804 -4.467 0.693 1.00 0.00 C ATOM 1107 C MET A 80 6.671 -5.216 2.011 1.00 0.00 C ATOM 1108 O MET A 80 7.199 -4.779 3.032 1.00 0.00 O ATOM 1109 CB MET A 80 5.579 -3.594 0.442 1.00 0.00 C ATOM 1110 CG MET A 80 5.944 -2.129 0.661 1.00 0.00 C ATOM 1111 SD MET A 80 5.602 -1.528 2.334 1.00 0.00 S ATOM 1112 CE MET A 80 3.820 -1.842 2.395 1.00 0.00 C ATOM 0 H MET A 80 6.170 -5.430 -1.049 1.00 0.00 H new ATOM 0 HA MET A 80 7.685 -3.828 0.749 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.217 -3.741 -0.575 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.770 -3.882 1.113 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.004 -1.993 0.447 1.00 0.00 H new ATOM 0 HG3 MET A 80 5.393 -1.517 -0.054 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.372 -1.245 3.190 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.370 -1.571 1.440 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.643 -2.899 2.592 1.00 0.00 H new ATOM 1122 N LEU A 81 5.963 -6.347 1.988 1.00 0.00 N ATOM 1123 CA LEU A 81 5.764 -7.150 3.177 1.00 0.00 C ATOM 1124 C LEU A 81 7.084 -7.778 3.604 1.00 0.00 C ATOM 1125 O LEU A 81 7.525 -7.592 4.735 1.00 0.00 O ATOM 1126 CB LEU A 81 4.720 -8.227 2.895 1.00 0.00 C ATOM 1127 CG LEU A 81 4.783 -9.294 3.984 1.00 0.00 C ATOM 1128 CD1 LEU A 81 5.688 -10.435 3.527 1.00 0.00 C ATOM 1129 CD2 LEU A 81 5.344 -8.682 5.265 1.00 0.00 C ATOM 0 H LEU A 81 5.519 -6.722 1.150 1.00 0.00 H new ATOM 0 HA LEU A 81 5.405 -6.518 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.725 -7.784 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.901 -8.677 1.919 1.00 0.00 H new ATOM 0 HG LEU A 81 3.781 -9.678 4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.733 -11.197 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.288 -10.873 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.690 -10.051 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.389 -9.444 6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.346 -8.297 5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.698 -7.867 5.592 1.00 0.00 H new ATOM 1141 N LYS A 82 7.714 -8.523 2.693 1.00 0.00 N ATOM 1142 CA LYS A 82 8.978 -9.172 2.979 1.00 0.00 C ATOM 1143 C LYS A 82 9.896 -8.213 3.723 1.00 0.00 C ATOM 1144 O LYS A 82 10.451 -8.561 4.762 1.00 0.00 O ATOM 1145 CB LYS A 82 9.620 -9.632 1.674 1.00 0.00 C ATOM 1146 CG LYS A 82 9.352 -11.121 1.473 1.00 0.00 C ATOM 1147 CD LYS A 82 7.859 -11.396 1.630 1.00 0.00 C ATOM 1148 CE LYS A 82 7.635 -12.324 2.820 1.00 0.00 C ATOM 1149 NZ LYS A 82 8.455 -13.540 2.703 1.00 0.00 N ATOM 0 H LYS A 82 7.361 -8.687 1.750 1.00 0.00 H new ATOM 0 HA LYS A 82 8.807 -10.043 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.216 -9.063 0.837 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.694 -9.445 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.688 -11.431 0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.918 -11.704 2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.320 -10.460 1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.465 -11.851 0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.882 -11.802 3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.581 -12.596 2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.919 -14.356 3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.700 -13.699 1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.327 -13.426 3.259 1.00 0.00 H new ATOM 1163 N HIS A 83 10.055 -7.000 3.188 1.00 0.00 N ATOM 1164 CA HIS A 83 10.906 -6.001 3.804 1.00 0.00 C ATOM 1165 C HIS A 83 10.754 -6.051 5.318 1.00 0.00 C ATOM 1166 O HIS A 83 11.693 -5.746 6.049 1.00 0.00 O ATOM 1167 CB HIS A 83 10.538 -4.621 3.269 1.00 0.00 C ATOM 1168 CG HIS A 83 11.693 -3.658 3.303 1.00 0.00 C ATOM 1169 ND1 HIS A 83 12.164 -2.925 2.247 1.00 0.00 N flip ATOM 1170 CD2 HIS A 83 12.466 -3.356 4.401 1.00 0.00 C flip ATOM 1171 CE1 HIS A 83 13.243 -2.162 2.705 1.00 0.00 C flip ATOM 1172 NE2 HIS A 83 13.385 -2.456 4.008 1.00 0.00 N flip ATOM 0 H HIS A 83 9.601 -6.694 2.328 1.00 0.00 H new ATOM 0 HA HIS A 83 11.948 -6.206 3.558 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.180 -4.717 2.244 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.715 -4.215 3.857 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.355 -3.766 5.394 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.842 -1.474 2.127 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.095 -2.051 4.618 1.00 0.00 H new ATOM 1180 N GLY A 84 9.565 -6.437 5.788 1.00 0.00 N ATOM 1181 CA GLY A 84 9.301 -6.523 7.210 1.00 0.00 C ATOM 1182 C GLY A 84 8.543 -5.289 7.681 1.00 0.00 C ATOM 1183 O GLY A 84 8.617 -4.921 8.851 1.00 0.00 O ATOM 0 H GLY A 84 8.775 -6.693 5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.720 -7.420 7.426 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.240 -6.612 7.757 1.00 0.00 H new ATOM 1187 N PHE A 85 7.812 -4.651 6.765 1.00 0.00 N ATOM 1188 CA PHE A 85 7.046 -3.465 7.091 1.00 0.00 C ATOM 1189 C PHE A 85 5.584 -3.836 7.302 1.00 0.00 C ATOM 1190 O PHE A 85 4.738 -2.961 7.473 1.00 0.00 O ATOM 1191 CB PHE A 85 7.188 -2.443 5.967 1.00 0.00 C ATOM 1192 CG PHE A 85 8.462 -1.635 6.044 1.00 0.00 C ATOM 1193 CD1 PHE A 85 8.775 -0.933 7.214 1.00 0.00 C ATOM 1194 CD2 PHE A 85 9.328 -1.586 4.945 1.00 0.00 C ATOM 1195 CE1 PHE A 85 9.955 -0.182 7.286 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.507 -0.835 5.017 1.00 0.00 C ATOM 1197 CZ PHE A 85 10.821 -0.134 6.187 1.00 0.00 C ATOM 0 H PHE A 85 7.740 -4.944 5.791 1.00 0.00 H new ATOM 0 HA PHE A 85 7.425 -3.025 8.014 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.153 -2.962 5.009 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.335 -1.765 5.993 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.106 -0.971 8.061 1.00 0.00 H new ATOM 0 HD2 PHE A 85 9.086 -2.127 4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.197 0.360 8.189 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.175 -0.796 4.169 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.732 0.444 6.242 1.00 0.00 H new ATOM 1207 N LEU A 86 5.289 -5.138 7.290 1.00 0.00 N ATOM 1208 CA LEU A 86 3.935 -5.617 7.479 1.00 0.00 C ATOM 1209 C LEU A 86 3.933 -6.792 8.446 1.00 0.00 C ATOM 1210 O LEU A 86 4.929 -7.502 8.565 1.00 0.00 O ATOM 1211 CB LEU A 86 3.347 -6.026 6.131 1.00 0.00 C ATOM 1212 CG LEU A 86 2.269 -5.026 5.723 1.00 0.00 C ATOM 1213 CD1 LEU A 86 2.013 -5.138 4.223 1.00 0.00 C ATOM 1214 CD2 LEU A 86 0.981 -5.329 6.483 1.00 0.00 C ATOM 0 H LEU A 86 5.980 -5.876 7.150 1.00 0.00 H new ATOM 0 HA LEU A 86 3.321 -4.822 7.903 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.132 -6.060 5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.923 -7.028 6.196 1.00 0.00 H new ATOM 0 HG LEU A 86 2.602 -4.016 5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.243 -4.424 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.933 -4.922 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.680 -6.148 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.210 -4.615 6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.648 -6.339 6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.164 -5.249 7.555 1.00 0.00 H new ATOM 1226 N ARG A 87 2.810 -6.996 9.138 1.00 0.00 N ATOM 1227 CA ARG A 87 2.684 -8.081 10.090 1.00 0.00 C ATOM 1228 C ARG A 87 1.551 -9.007 9.670 1.00 0.00 C ATOM 1229 O ARG A 87 0.400 -8.584 9.584 1.00 0.00 O ATOM 1230 CB ARG A 87 2.426 -7.509 11.481 1.00 0.00 C ATOM 1231 CG ARG A 87 3.445 -6.412 11.776 1.00 0.00 C ATOM 1232 CD ARG A 87 4.854 -6.950 11.542 1.00 0.00 C ATOM 1233 NE ARG A 87 5.831 -6.241 12.368 1.00 0.00 N ATOM 1234 CZ ARG A 87 7.138 -6.536 12.361 1.00 0.00 C ATOM 1235 NH1 ARG A 87 7.599 -7.517 11.573 1.00 0.00 N ATOM 1236 NH2 ARG A 87 7.985 -5.851 13.142 1.00 0.00 N ATOM 0 H ARG A 87 1.976 -6.416 9.050 1.00 0.00 H new ATOM 0 HA ARG A 87 3.609 -8.658 10.114 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.415 -7.106 11.539 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.498 -8.298 12.230 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.262 -5.549 11.135 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.341 -6.071 12.806 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.883 -8.015 11.772 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.117 -6.844 10.490 1.00 0.00 H new ATOM 0 HE ARG A 87 5.503 -5.490 12.975 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.955 -8.039 10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.594 -7.742 11.568 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.635 -5.104 13.742 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.980 -6.076 13.136 1.00 0.00 H new ATOM 1250 N HIS A 88 1.878 -10.275 9.408 1.00 0.00 N ATOM 1251 CA HIS A 88 0.886 -11.248 8.997 1.00 0.00 C ATOM 1252 C HIS A 88 0.675 -12.273 10.103 1.00 0.00 C ATOM 1253 O HIS A 88 1.185 -12.110 11.209 1.00 0.00 O ATOM 1254 CB HIS A 88 1.344 -11.928 7.710 1.00 0.00 C ATOM 1255 CG HIS A 88 1.399 -10.982 6.542 1.00 0.00 C ATOM 1256 ND1 HIS A 88 1.281 -9.620 6.601 1.00 0.00 N flip ATOM 1257 CD2 HIS A 88 1.576 -11.331 5.223 1.00 0.00 C flip ATOM 1258 CE1 HIS A 88 1.388 -9.125 5.297 1.00 0.00 C flip ATOM 1259 NE2 HIS A 88 1.565 -10.195 4.503 1.00 0.00 N flip ATOM 0 H HIS A 88 2.827 -10.644 9.476 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.063 -10.746 8.810 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.331 -12.364 7.866 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.666 -12.749 7.476 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.701 -12.332 4.837 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.338 -8.091 4.990 1.00 0.00 H new ATOM 0 HE2 HIS A 88 1.676 -10.151 3.490 1.00 0.00 H new ATOM 1267 N THR A 89 -0.079 -13.333 9.802 1.00 0.00 N ATOM 1268 CA THR A 89 -0.350 -14.375 10.771 1.00 0.00 C ATOM 1269 C THR A 89 0.262 -15.688 10.306 1.00 0.00 C ATOM 1270 O THR A 89 -0.456 -16.618 9.946 1.00 0.00 O ATOM 1271 CB THR A 89 -1.858 -14.517 10.956 1.00 0.00 C ATOM 1272 OG1 THR A 89 -2.453 -14.849 9.721 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.436 -13.198 11.461 1.00 0.00 C ATOM 0 H THR A 89 -0.510 -13.484 8.890 1.00 0.00 H new ATOM 0 HA THR A 89 0.098 -14.109 11.729 1.00 0.00 H new ATOM 0 HB THR A 89 -2.063 -15.304 11.682 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.038 -15.663 9.366 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.513 -13.300 11.593 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.976 -12.941 12.415 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.232 -12.410 10.736 1.00 0.00 H new ATOM 1281 N VAL A 90 1.595 -15.762 10.313 1.00 0.00 N ATOM 1282 CA VAL A 90 2.298 -16.957 9.894 1.00 0.00 C ATOM 1283 C VAL A 90 3.655 -17.024 10.580 1.00 0.00 C ATOM 1284 O VAL A 90 4.129 -16.028 11.121 1.00 0.00 O ATOM 1285 CB VAL A 90 2.459 -16.945 8.376 1.00 0.00 C ATOM 1286 CG1 VAL A 90 1.086 -17.045 7.718 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.135 -15.647 7.947 1.00 0.00 C ATOM 0 H VAL A 90 2.204 -14.999 10.608 1.00 0.00 H new ATOM 0 HA VAL A 90 1.725 -17.840 10.179 1.00 0.00 H new ATOM 0 HB VAL A 90 3.072 -17.793 8.069 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.201 -17.036 6.634 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.602 -17.972 8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.473 -16.198 8.025 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.250 -15.638 6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.523 -14.799 8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.116 -15.575 8.417 1.00 0.00 H new ATOM 1297 N ASN A 91 4.281 -18.204 10.556 1.00 0.00 N ATOM 1298 CA ASN A 91 5.578 -18.392 11.173 1.00 0.00 C ATOM 1299 C ASN A 91 6.450 -17.168 10.933 1.00 0.00 C ATOM 1300 O ASN A 91 7.283 -16.822 11.768 1.00 0.00 O ATOM 1301 CB ASN A 91 6.235 -19.644 10.601 1.00 0.00 C ATOM 1302 CG ASN A 91 6.230 -19.614 9.079 1.00 0.00 C ATOM 1303 OD1 ASN A 91 7.116 -19.024 8.465 1.00 0.00 O ATOM 1304 ND2 ASN A 91 5.227 -20.252 8.471 1.00 0.00 N ATOM 0 H ASN A 91 3.901 -19.040 10.112 1.00 0.00 H new ATOM 0 HA ASN A 91 5.456 -18.519 12.249 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.260 -19.719 10.964 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.706 -20.530 10.953 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.173 -20.264 7.452 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.515 -20.728 9.025 1.00 0.00 H new ATOM 1311 N LYS A 92 6.255 -16.511 9.787 1.00 0.00 N ATOM 1312 CA LYS A 92 7.023 -15.330 9.444 1.00 0.00 C ATOM 1313 C LYS A 92 6.100 -14.256 8.886 1.00 0.00 C ATOM 1314 O LYS A 92 5.330 -13.650 9.627 1.00 0.00 O ATOM 1315 CB LYS A 92 8.098 -15.702 8.427 1.00 0.00 C ATOM 1316 CG LYS A 92 9.050 -16.723 9.043 1.00 0.00 C ATOM 1317 CD LYS A 92 10.463 -16.150 9.072 1.00 0.00 C ATOM 1318 CE LYS A 92 11.252 -16.797 10.206 1.00 0.00 C ATOM 1319 NZ LYS A 92 10.862 -16.235 11.508 1.00 0.00 N ATOM 0 H LYS A 92 5.568 -16.784 9.085 1.00 0.00 H new ATOM 0 HA LYS A 92 7.507 -14.935 10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.637 -16.114 7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.649 -14.812 8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.727 -16.973 10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.033 -17.647 8.465 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.960 -16.332 8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.426 -15.070 9.211 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.081 -17.873 10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.319 -16.644 10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.579 -16.479 12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.788 -15.200 11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.942 -16.627 11.794 1.00 0.00 H new ATOM 1333 N ILE A 93 6.180 -14.023 7.574 1.00 0.00 N ATOM 1334 CA ILE A 93 5.354 -13.027 6.921 1.00 0.00 C ATOM 1335 C ILE A 93 4.716 -13.624 5.675 1.00 0.00 C ATOM 1336 O ILE A 93 3.493 -13.718 5.586 1.00 0.00 O ATOM 1337 CB ILE A 93 6.208 -11.814 6.563 1.00 0.00 C ATOM 1338 CG1 ILE A 93 7.657 -12.251 6.364 1.00 0.00 C ATOM 1339 CG2 ILE A 93 6.137 -10.791 7.693 1.00 0.00 C ATOM 1340 CD1 ILE A 93 8.392 -12.201 7.701 1.00 0.00 C ATOM 0 H ILE A 93 6.815 -14.518 6.947 1.00 0.00 H new ATOM 0 HA ILE A 93 4.559 -12.709 7.596 1.00 0.00 H new ATOM 0 HB ILE A 93 5.834 -11.366 5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.691 -13.261 5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.149 -11.599 5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.747 -9.924 7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.103 -10.478 7.836 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.511 -11.239 8.614 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.427 -12.513 7.559 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.370 -11.183 8.090 1.00 0.00 H new ATOM 0 HD13 ILE A 93 7.905 -12.871 8.409 1.00 0.00 H new ATOM 1352 N THR A 94 5.545 -14.028 4.710 1.00 0.00 N ATOM 1353 CA THR A 94 5.054 -14.614 3.479 1.00 0.00 C ATOM 1354 C THR A 94 3.760 -13.930 3.060 1.00 0.00 C ATOM 1355 O THR A 94 2.677 -14.337 3.474 1.00 0.00 O ATOM 1356 CB THR A 94 4.833 -16.110 3.681 1.00 0.00 C ATOM 1357 OG1 THR A 94 3.686 -16.516 2.969 1.00 0.00 O ATOM 1358 CG2 THR A 94 4.638 -16.400 5.167 1.00 0.00 C ATOM 0 H THR A 94 6.561 -13.956 4.766 1.00 0.00 H new ATOM 0 HA THR A 94 5.789 -14.472 2.687 1.00 0.00 H new ATOM 0 HB THR A 94 5.701 -16.658 3.315 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.899 -16.055 3.327 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.480 -17.469 5.311 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.524 -16.086 5.718 1.00 0.00 H new ATOM 0 HG23 THR A 94 3.770 -15.852 5.534 1.00 0.00 H new ATOM 1366 N PHE A 95 3.875 -12.887 2.235 1.00 0.00 N ATOM 1367 CA PHE A 95 2.717 -12.154 1.765 1.00 0.00 C ATOM 1368 C PHE A 95 1.719 -13.116 1.134 1.00 0.00 C ATOM 1369 O PHE A 95 2.069 -14.245 0.798 1.00 0.00 O ATOM 1370 CB PHE A 95 3.159 -11.096 0.759 1.00 0.00 C ATOM 1371 CG PHE A 95 2.021 -10.515 -0.045 1.00 0.00 C ATOM 1372 CD1 PHE A 95 1.444 -11.259 -1.081 1.00 0.00 C ATOM 1373 CD2 PHE A 95 1.541 -9.233 0.247 1.00 0.00 C ATOM 1374 CE1 PHE A 95 0.387 -10.721 -1.825 1.00 0.00 C ATOM 1375 CE2 PHE A 95 0.484 -8.694 -0.496 1.00 0.00 C ATOM 1376 CZ PHE A 95 -0.093 -9.438 -1.532 1.00 0.00 C ATOM 0 H PHE A 95 4.766 -12.537 1.882 1.00 0.00 H new ATOM 0 HA PHE A 95 2.231 -11.657 2.604 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.666 -10.291 1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.887 -11.536 0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.814 -12.248 -1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.986 -8.659 1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.058 -11.295 -2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.114 -7.705 -0.270 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.908 -9.023 -2.106 1.00 0.00 H new ATOM 1386 N SER A 96 0.473 -12.664 0.973 1.00 0.00 N ATOM 1387 CA SER A 96 -0.565 -13.485 0.382 1.00 0.00 C ATOM 1388 C SER A 96 -1.727 -12.607 -0.063 1.00 0.00 C ATOM 1389 O SER A 96 -2.125 -12.643 -1.225 1.00 0.00 O ATOM 1390 CB SER A 96 -1.031 -14.523 1.399 1.00 0.00 C ATOM 1391 OG SER A 96 -0.429 -15.765 1.110 1.00 0.00 O ATOM 0 H SER A 96 0.166 -11.731 1.247 1.00 0.00 H new ATOM 0 HA SER A 96 -0.171 -14.003 -0.493 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.767 -14.204 2.407 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.117 -14.617 1.368 1.00 0.00 H new ATOM 0 HG SER A 96 0.528 -15.634 0.945 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.269 -11.816 0.866 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.378 -10.934 0.562 1.00 0.00 C ATOM 1399 C GLU A 97 -4.694 -11.684 0.710 1.00 0.00 C ATOM 1400 O GLU A 97 -5.433 -11.845 -0.259 1.00 0.00 O ATOM 1401 CB GLU A 97 -3.222 -10.392 -0.856 1.00 0.00 C ATOM 1402 CG GLU A 97 -4.050 -9.120 -1.009 1.00 0.00 C ATOM 1403 CD GLU A 97 -5.385 -9.418 -1.678 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -5.371 -9.603 -2.914 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -6.393 -9.454 -0.940 1.00 0.00 O ATOM 0 H GLU A 97 -1.951 -11.775 1.834 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.381 -10.097 1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.173 -10.182 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.547 -11.139 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.221 -8.673 -0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.497 -8.390 -1.601 1.00 0.00 H new ATOM 1413 N GLN A 98 -4.987 -12.144 1.929 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.209 -12.874 2.197 1.00 0.00 C ATOM 1415 C GLN A 98 -6.528 -12.820 3.685 1.00 0.00 C ATOM 1416 O GLN A 98 -7.676 -12.605 4.068 1.00 0.00 O ATOM 1417 CB GLN A 98 -6.050 -14.319 1.731 1.00 0.00 C ATOM 1418 CG GLN A 98 -6.781 -14.510 0.406 1.00 0.00 C ATOM 1419 CD GLN A 98 -7.791 -15.645 0.502 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -8.702 -15.599 1.326 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -7.627 -16.665 -0.343 1.00 0.00 N ATOM 0 H GLN A 98 -4.386 -12.018 2.743 1.00 0.00 H new ATOM 0 HA GLN A 98 -7.036 -12.418 1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.994 -14.560 1.614 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.451 -15.000 2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.291 -13.587 0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.061 -14.724 -0.384 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -6.854 -16.656 -1.009 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -8.274 -17.453 -0.323 1.00 0.00 H new ATOM 1430 N CYS A 99 -5.506 -13.014 4.522 1.00 0.00 N ATOM 1431 CA CYS A 99 -5.676 -12.986 5.961 1.00 0.00 C ATOM 1432 C CYS A 99 -5.386 -11.585 6.481 1.00 0.00 C ATOM 1433 O CYS A 99 -4.228 -11.220 6.669 1.00 0.00 O ATOM 1434 CB CYS A 99 -4.741 -14.007 6.603 1.00 0.00 C ATOM 1435 SG CYS A 99 -5.527 -14.652 8.100 1.00 0.00 S ATOM 0 H CYS A 99 -4.549 -13.193 4.217 1.00 0.00 H new ATOM 0 HA CYS A 99 -6.703 -13.245 6.218 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -4.532 -14.819 5.906 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -3.786 -13.543 6.848 1.00 0.00 H new ATOM 0 HG CYS A 99 -4.621 -14.868 9.007 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.441 -10.800 6.712 1.00 0.00 N ATOM 1442 CA TYR A 100 -6.290 -9.446 7.206 1.00 0.00 C ATOM 1443 C TYR A 100 -5.054 -9.353 8.090 1.00 0.00 C ATOM 1444 O TYR A 100 -4.902 -10.128 9.032 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.541 -9.048 7.984 1.00 0.00 C ATOM 1446 CG TYR A 100 -8.149 -10.185 8.771 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -9.080 -11.037 8.166 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -7.781 -10.386 10.107 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -9.643 -12.090 8.896 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -8.344 -11.439 10.837 1.00 0.00 C ATOM 1451 CZ TYR A 100 -9.275 -12.291 10.232 1.00 0.00 C ATOM 1452 OH TYR A 100 -9.824 -13.317 10.943 1.00 0.00 O ATOM 0 H TYR A 100 -7.408 -11.088 6.562 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.165 -8.761 6.368 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.291 -8.236 8.667 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.284 -8.661 7.287 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -9.364 -10.882 7.136 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.063 -9.728 10.574 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -10.361 -12.748 8.429 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.060 -11.594 11.867 1.00 0.00 H new ATOM 0 HH TYR A 100 -9.460 -13.316 11.853 1.00 0.00 H new ATOM 1462 N TYR A 101 -4.169 -8.402 7.783 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.953 -8.215 8.549 1.00 0.00 C ATOM 1464 C TYR A 101 -2.851 -6.769 9.012 1.00 0.00 C ATOM 1465 O TYR A 101 -3.757 -5.974 8.774 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.750 -8.595 7.690 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.698 -10.063 7.340 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -2.158 -11.017 8.255 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -1.191 -10.469 6.100 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -2.110 -12.378 7.930 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -1.144 -11.830 5.774 1.00 0.00 C ATOM 1472 CZ TYR A 101 -1.603 -12.784 6.689 1.00 0.00 C ATOM 1473 OH TYR A 101 -1.558 -14.110 6.373 1.00 0.00 O ATOM 0 H TYR A 101 -4.280 -7.752 7.005 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.971 -8.856 9.431 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.772 -8.011 6.770 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.836 -8.323 8.218 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.550 -10.703 9.211 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.836 -9.732 5.395 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.464 -13.115 8.636 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.754 -12.143 4.817 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.180 -14.220 5.476 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.743 -6.430 9.675 1.00 0.00 N ATOM 1484 CA VAL A 102 -1.528 -5.084 10.167 1.00 0.00 C ATOM 1485 C VAL A 102 -0.051 -4.729 10.065 1.00 0.00 C ATOM 1486 O VAL A 102 0.810 -5.554 10.361 1.00 0.00 O ATOM 1487 CB VAL A 102 -2.008 -4.989 11.613 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -0.840 -4.596 12.512 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -3.107 -3.935 11.715 1.00 0.00 C ATOM 0 H VAL A 102 -0.983 -7.078 9.880 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.095 -4.376 9.563 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.401 -5.955 11.930 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.182 -4.528 13.545 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.055 -5.349 12.439 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.447 -3.630 12.196 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.451 -3.866 12.747 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.715 -2.969 11.398 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.942 -4.216 11.073 1.00 0.00 H new ATOM 1499 N PHE A 103 0.240 -3.496 9.644 1.00 0.00 N ATOM 1500 CA PHE A 103 1.609 -3.041 9.506 1.00 0.00 C ATOM 1501 C PHE A 103 2.439 -3.536 10.682 1.00 0.00 C ATOM 1502 O PHE A 103 1.890 -3.969 11.693 1.00 0.00 O ATOM 1503 CB PHE A 103 1.631 -1.516 9.431 1.00 0.00 C ATOM 1504 CG PHE A 103 0.991 -0.845 10.623 1.00 0.00 C ATOM 1505 CD1 PHE A 103 1.591 -0.938 11.885 1.00 0.00 C ATOM 1506 CD2 PHE A 103 -0.203 -0.132 10.467 1.00 0.00 C ATOM 1507 CE1 PHE A 103 0.997 -0.318 12.990 1.00 0.00 C ATOM 1508 CE2 PHE A 103 -0.797 0.489 11.572 1.00 0.00 C ATOM 1509 CZ PHE A 103 -0.197 0.396 12.834 1.00 0.00 C ATOM 0 H PHE A 103 -0.462 -2.800 9.394 1.00 0.00 H new ATOM 0 HA PHE A 103 2.040 -3.444 8.589 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.664 -1.179 9.346 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.116 -1.197 8.525 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.512 -1.488 12.005 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.666 -0.061 9.494 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.460 -0.390 13.963 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.718 1.040 11.451 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.655 0.875 13.687 1.00 0.00 H new ATOM 1519 N GLY A 104 3.766 -3.472 10.549 1.00 0.00 N ATOM 1520 CA GLY A 104 4.658 -3.914 11.601 1.00 0.00 C ATOM 1521 C GLY A 104 5.821 -2.944 11.749 1.00 0.00 C ATOM 1522 O GLY A 104 5.723 -1.787 11.346 1.00 0.00 O ATOM 0 H GLY A 104 4.238 -3.116 9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.114 -3.986 12.543 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.034 -4.911 11.373 1.00 0.00 H new ATOM 1526 N ASP A 105 6.926 -3.418 12.330 1.00 0.00 N ATOM 1527 CA ASP A 105 8.100 -2.592 12.529 1.00 0.00 C ATOM 1528 C ASP A 105 9.251 -3.448 13.037 1.00 0.00 C ATOM 1529 O ASP A 105 9.272 -3.833 14.204 1.00 0.00 O ATOM 1530 CB ASP A 105 7.775 -1.478 13.520 1.00 0.00 C ATOM 1531 CG ASP A 105 7.513 -0.165 12.796 1.00 0.00 C ATOM 1532 OD1 ASP A 105 6.319 0.137 12.583 1.00 0.00 O ATOM 1533 OD2 ASP A 105 8.512 0.511 12.470 1.00 0.00 O ATOM 0 H ASP A 105 7.024 -4.375 12.669 1.00 0.00 H new ATOM 0 HA ASP A 105 8.398 -2.142 11.582 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.900 -1.754 14.109 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.603 -1.354 14.218 1.00 0.00 H new TER 1539 ASP A 105