USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 606 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 45 SER OG : rot -173:sc= -1.81! USER MOD Set 1.2: A 49 GLN : amide:sc= 0 X(o=-1.8,f=-1.9) USER MOD Set 2.1: A 26 MET CE :methyl -132:sc= -1.32 (180deg=-2.76!) USER MOD Set 2.2: A 86 HIS : no HE2:sc= -0.0421 K(o=-1.4,f=-3.1) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= -1.34! (180deg=-1.64!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -35:sc= 0.0742 USER MOD Single : A 34 LYS NZ :NH3+ -138:sc= -0.193 (180deg=-0.458) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0478) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot -160:sc= -0.479 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= -0.128 (180deg=-0.761!) USER MOD Single : A 55 SER OG : rot 76:sc= 0.142 USER MOD Single : A 56 LYS NZ :NH3+ 136:sc= 0.245 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -143:sc= 0.16 (180deg=-0.476) USER MOD Single : A 60 SER OG : rot 66:sc= 0.284 USER MOD Single : A 61 HIS : no HD1:sc= -0.0129 K(o=-0.013,f=-1.3) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.411 K(o=0.41,f=-4.4!) USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0.845 (180deg=0.808) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0238 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-2.5!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -173:sc=-0.00253 (180deg=-0.0745) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 25 -10.860 14.447 5.140 1.00 0.00 N ATOM 38 CA ILE A 25 -9.992 13.284 5.316 1.00 0.00 C ATOM 39 C ILE A 25 -9.407 12.922 3.933 1.00 0.00 C ATOM 40 O ILE A 25 -10.090 13.075 2.906 1.00 0.00 O ATOM 41 CB ILE A 25 -10.773 12.084 5.984 1.00 0.00 C ATOM 42 CG1 ILE A 25 -9.775 11.133 6.697 1.00 0.00 C ATOM 43 CG2 ILE A 25 -11.661 11.298 4.980 1.00 0.00 C ATOM 44 CD1 ILE A 25 -10.401 10.061 7.548 1.00 0.00 C ATOM 0 HA ILE A 25 -9.174 13.513 6.000 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.454 12.516 6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.151 10.655 5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.114 11.731 7.324 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.170 10.488 5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.400 11.970 4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.036 10.884 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.618 9.452 8.000 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.000 10.523 8.332 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.038 9.430 6.928 1.00 0.00 H new ATOM 56 N MET A 26 -8.151 12.478 3.897 1.00 0.00 N ATOM 57 CA MET A 26 -7.421 12.299 2.631 1.00 0.00 C ATOM 58 C MET A 26 -7.833 10.979 1.963 1.00 0.00 C ATOM 59 O MET A 26 -7.566 9.885 2.476 1.00 0.00 O ATOM 60 CB MET A 26 -5.889 12.338 2.853 1.00 0.00 C ATOM 61 CG MET A 26 -5.070 12.317 1.560 1.00 0.00 C ATOM 62 SD MET A 26 -3.285 12.336 1.834 1.00 0.00 S ATOM 63 CE MET A 26 -3.030 13.936 2.593 1.00 0.00 C ATOM 0 H MET A 26 -7.613 12.234 4.728 1.00 0.00 H new ATOM 0 HA MET A 26 -7.682 13.126 1.971 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.637 13.237 3.416 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.600 11.486 3.468 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.332 11.427 0.988 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.345 13.179 0.952 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.201 14.445 2.100 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.935 14.535 2.492 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.798 13.805 3.650 1.00 0.00 H new ATOM 73 N LYS A 27 -8.530 11.132 0.830 1.00 0.00 N ATOM 74 CA LYS A 27 -9.014 10.024 0.010 1.00 0.00 C ATOM 75 C LYS A 27 -7.863 9.575 -0.914 1.00 0.00 C ATOM 76 O LYS A 27 -7.673 10.120 -2.008 1.00 0.00 O ATOM 77 CB LYS A 27 -10.262 10.495 -0.818 1.00 0.00 C ATOM 78 CG LYS A 27 -11.251 11.418 -0.040 1.00 0.00 C ATOM 79 CD LYS A 27 -11.908 10.737 1.199 1.00 0.00 C ATOM 80 CE LYS A 27 -13.238 10.015 0.880 1.00 0.00 C ATOM 81 NZ LYS A 27 -13.173 9.179 -0.335 1.00 0.00 N ATOM 0 H LYS A 27 -8.776 12.048 0.454 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.324 9.182 0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.914 11.025 -1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.804 9.615 -1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.718 12.310 0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.036 11.748 -0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.207 10.017 1.621 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.089 11.492 1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.516 9.390 1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.027 10.758 0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.023 8.582 -0.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.123 9.790 -1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.328 8.575 -0.296 1.00 0.00 H new ATOM 95 N VAL A 28 -7.055 8.630 -0.420 1.00 0.00 N ATOM 96 CA VAL A 28 -5.867 8.144 -1.127 1.00 0.00 C ATOM 97 C VAL A 28 -6.225 6.902 -1.946 1.00 0.00 C ATOM 98 O VAL A 28 -6.551 5.849 -1.384 1.00 0.00 O ATOM 99 CB VAL A 28 -4.702 7.773 -0.139 1.00 0.00 C ATOM 100 CG1 VAL A 28 -3.392 7.480 -0.903 1.00 0.00 C ATOM 101 CG2 VAL A 28 -4.484 8.861 0.923 1.00 0.00 C ATOM 0 H VAL A 28 -7.208 8.181 0.483 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.525 8.951 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.002 6.863 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.605 7.227 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.548 6.644 -1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.097 8.362 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.670 8.565 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.230 9.801 0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.397 8.990 1.505 1.00 0.00 H new ATOM 111 N THR A 29 -6.151 7.032 -3.272 1.00 0.00 N ATOM 112 CA THR A 29 -6.309 5.902 -4.182 1.00 0.00 C ATOM 113 C THR A 29 -4.959 5.175 -4.290 1.00 0.00 C ATOM 114 O THR A 29 -3.909 5.807 -4.316 1.00 0.00 O ATOM 115 CB THR A 29 -6.788 6.386 -5.597 1.00 0.00 C ATOM 116 OG1 THR A 29 -7.982 7.167 -5.455 1.00 0.00 O ATOM 117 CG2 THR A 29 -7.072 5.209 -6.548 1.00 0.00 C ATOM 0 H THR A 29 -5.980 7.921 -3.741 1.00 0.00 H new ATOM 0 HA THR A 29 -7.068 5.223 -3.794 1.00 0.00 H new ATOM 0 HB THR A 29 -5.984 6.982 -6.029 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.281 7.471 -6.337 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.400 5.593 -7.514 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.164 4.621 -6.681 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.853 4.579 -6.123 1.00 0.00 H new ATOM 125 N VAL A 30 -5.001 3.843 -4.249 1.00 0.00 N ATOM 126 CA VAL A 30 -3.828 2.981 -4.413 1.00 0.00 C ATOM 127 C VAL A 30 -4.121 1.990 -5.541 1.00 0.00 C ATOM 128 O VAL A 30 -5.135 1.275 -5.495 1.00 0.00 O ATOM 129 CB VAL A 30 -3.495 2.211 -3.078 1.00 0.00 C ATOM 130 CG1 VAL A 30 -2.310 1.235 -3.249 1.00 0.00 C ATOM 131 CG2 VAL A 30 -3.213 3.201 -1.927 1.00 0.00 C ATOM 0 H VAL A 30 -5.865 3.323 -4.098 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.959 3.591 -4.659 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.374 1.618 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.117 0.728 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.554 0.497 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.422 1.790 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.986 2.646 -1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.363 3.831 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.091 3.826 -1.761 1.00 0.00 H new ATOM 141 N LYS A 31 -3.247 1.955 -6.557 1.00 0.00 N ATOM 142 CA LYS A 31 -3.373 1.021 -7.678 1.00 0.00 C ATOM 143 C LYS A 31 -2.471 -0.192 -7.360 1.00 0.00 C ATOM 144 O LYS A 31 -1.250 -0.072 -7.210 1.00 0.00 O ATOM 145 CB LYS A 31 -3.003 1.711 -9.030 1.00 0.00 C ATOM 146 CG LYS A 31 -3.663 1.084 -10.299 1.00 0.00 C ATOM 147 CD LYS A 31 -3.241 -0.376 -10.574 1.00 0.00 C ATOM 148 CE LYS A 31 -4.049 -1.035 -11.704 1.00 0.00 C ATOM 149 NZ LYS A 31 -3.873 -0.352 -13.015 1.00 0.00 N ATOM 0 H LYS A 31 -2.437 2.572 -6.622 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.403 0.687 -7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.288 2.762 -8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.920 1.681 -9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.747 1.123 -10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.409 1.694 -11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.182 -0.399 -10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.360 -0.960 -9.662 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.747 -2.078 -11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.106 -1.033 -11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.440 -0.838 -13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.186 0.637 -12.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.870 -0.376 -13.287 1.00 0.00 H new ATOM 163 N THR A 32 -3.117 -1.344 -7.259 1.00 0.00 N ATOM 164 CA THR A 32 -2.538 -2.597 -6.777 1.00 0.00 C ATOM 165 C THR A 32 -2.355 -3.583 -7.956 1.00 0.00 C ATOM 166 O THR A 32 -2.894 -3.333 -9.035 1.00 0.00 O ATOM 167 CB THR A 32 -3.520 -3.167 -5.706 1.00 0.00 C ATOM 168 OG1 THR A 32 -4.766 -3.523 -6.328 1.00 0.00 O ATOM 169 CG2 THR A 32 -3.796 -2.137 -4.603 1.00 0.00 C ATOM 0 H THR A 32 -4.098 -1.439 -7.520 1.00 0.00 H new ATOM 0 HA THR A 32 -1.553 -2.439 -6.337 1.00 0.00 H new ATOM 0 HB THR A 32 -3.055 -4.046 -5.260 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.964 -2.890 -7.049 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.483 -2.562 -3.872 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.860 -1.872 -4.111 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.241 -1.244 -5.042 1.00 0.00 H new ATOM 177 N PRO A 33 -1.619 -4.736 -7.781 1.00 0.00 N ATOM 178 CA PRO A 33 -1.403 -5.735 -8.877 1.00 0.00 C ATOM 179 C PRO A 33 -2.687 -6.455 -9.380 1.00 0.00 C ATOM 180 O PRO A 33 -2.596 -7.356 -10.215 1.00 0.00 O ATOM 181 CB PRO A 33 -0.398 -6.738 -8.246 1.00 0.00 C ATOM 182 CG PRO A 33 -0.621 -6.615 -6.774 1.00 0.00 C ATOM 183 CD PRO A 33 -0.887 -5.147 -6.542 1.00 0.00 C ATOM 0 HA PRO A 33 -1.044 -5.244 -9.782 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.582 -7.755 -8.592 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.630 -6.492 -8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.464 -7.225 -6.450 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.251 -6.952 -6.213 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.486 -4.982 -5.646 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.038 -4.585 -6.415 1.00 0.00 H new ATOM 191 N LYS A 34 -3.872 -6.062 -8.869 1.00 0.00 N ATOM 192 CA LYS A 34 -5.168 -6.578 -9.353 1.00 0.00 C ATOM 193 C LYS A 34 -6.027 -5.413 -9.862 1.00 0.00 C ATOM 194 O LYS A 34 -6.431 -5.373 -11.022 1.00 0.00 O ATOM 195 CB LYS A 34 -5.979 -7.336 -8.245 1.00 0.00 C ATOM 196 CG LYS A 34 -5.179 -8.277 -7.298 1.00 0.00 C ATOM 197 CD LYS A 34 -4.441 -7.535 -6.142 1.00 0.00 C ATOM 198 CE LYS A 34 -5.367 -6.574 -5.361 1.00 0.00 C ATOM 199 NZ LYS A 34 -6.630 -7.216 -4.893 1.00 0.00 N ATOM 0 H LYS A 34 -3.957 -5.382 -8.114 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.942 -7.287 -10.149 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.489 -6.593 -7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.751 -7.928 -8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.862 -9.009 -6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.447 -8.831 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.023 -8.269 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.604 -6.971 -6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.827 -6.182 -4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.614 -5.724 -5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.427 -6.565 -5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.794 -8.092 -5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.551 -7.440 -3.880 1.00 0.00 H new ATOM 213 N GLU A 35 -6.269 -4.451 -8.959 1.00 0.00 N ATOM 214 CA GLU A 35 -7.346 -3.452 -9.102 1.00 0.00 C ATOM 215 C GLU A 35 -6.858 -2.071 -8.643 1.00 0.00 C ATOM 216 O GLU A 35 -5.659 -1.836 -8.531 1.00 0.00 O ATOM 217 CB GLU A 35 -8.539 -3.933 -8.223 1.00 0.00 C ATOM 218 CG GLU A 35 -8.171 -4.071 -6.722 1.00 0.00 C ATOM 219 CD GLU A 35 -9.243 -4.771 -5.890 1.00 0.00 C ATOM 220 OE1 GLU A 35 -10.184 -4.102 -5.421 1.00 0.00 O ATOM 221 OE2 GLU A 35 -9.157 -6.001 -5.708 1.00 0.00 O ATOM 0 H GLU A 35 -5.723 -4.341 -8.105 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.652 -3.359 -10.144 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.365 -3.229 -8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.892 -4.895 -8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.237 -4.625 -6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.992 -3.079 -6.308 1.00 0.00 H new ATOM 228 N LYS A 36 -7.805 -1.156 -8.410 1.00 0.00 N ATOM 229 CA LYS A 36 -7.559 0.120 -7.713 1.00 0.00 C ATOM 230 C LYS A 36 -8.576 0.258 -6.565 1.00 0.00 C ATOM 231 O LYS A 36 -9.726 -0.174 -6.691 1.00 0.00 O ATOM 232 CB LYS A 36 -7.655 1.323 -8.693 1.00 0.00 C ATOM 233 CG LYS A 36 -9.002 1.431 -9.446 1.00 0.00 C ATOM 234 CD LYS A 36 -9.064 2.641 -10.410 1.00 0.00 C ATOM 235 CE LYS A 36 -9.011 3.994 -9.682 1.00 0.00 C ATOM 236 NZ LYS A 36 -10.167 4.202 -8.778 1.00 0.00 N ATOM 0 H LYS A 36 -8.775 -1.278 -8.701 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.548 0.122 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.491 2.244 -8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.850 1.245 -9.424 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.170 0.515 -10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.812 1.510 -8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.234 2.581 -11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.982 2.585 -10.995 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.088 4.056 -9.105 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.981 4.797 -10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.145 5.172 -8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.051 4.054 -9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.117 3.526 -7.989 1.00 0.00 H new ATOM 250 N GLU A 37 -8.139 0.862 -5.459 1.00 0.00 N ATOM 251 CA GLU A 37 -8.949 1.024 -4.226 1.00 0.00 C ATOM 252 C GLU A 37 -8.726 2.437 -3.661 1.00 0.00 C ATOM 253 O GLU A 37 -7.747 3.081 -4.000 1.00 0.00 O ATOM 254 CB GLU A 37 -8.529 -0.063 -3.196 1.00 0.00 C ATOM 255 CG GLU A 37 -9.308 -0.091 -1.858 1.00 0.00 C ATOM 256 CD GLU A 37 -10.801 -0.412 -2.026 1.00 0.00 C ATOM 257 OE1 GLU A 37 -11.145 -1.600 -2.210 1.00 0.00 O ATOM 258 OE2 GLU A 37 -11.640 0.518 -1.985 1.00 0.00 O ATOM 0 H GLU A 37 -7.203 1.261 -5.382 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.010 0.902 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.632 -1.039 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.471 0.072 -2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.857 -0.833 -1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.205 0.876 -1.366 1.00 0.00 H new ATOM 265 N GLU A 38 -9.645 2.911 -2.818 1.00 0.00 N ATOM 266 CA GLU A 38 -9.549 4.222 -2.158 1.00 0.00 C ATOM 267 C GLU A 38 -9.620 4.006 -0.636 1.00 0.00 C ATOM 268 O GLU A 38 -10.440 3.218 -0.160 1.00 0.00 O ATOM 269 CB GLU A 38 -10.668 5.159 -2.726 1.00 0.00 C ATOM 270 CG GLU A 38 -10.894 6.524 -2.013 1.00 0.00 C ATOM 271 CD GLU A 38 -11.744 6.426 -0.731 1.00 0.00 C ATOM 272 OE1 GLU A 38 -12.838 5.829 -0.782 1.00 0.00 O ATOM 273 OE2 GLU A 38 -11.334 6.952 0.325 1.00 0.00 O ATOM 0 H GLU A 38 -10.488 2.393 -2.569 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.601 4.720 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.439 5.360 -3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.609 4.609 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.925 6.957 -1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.380 7.210 -2.708 1.00 0.00 H new ATOM 280 N PHE A 39 -8.743 4.704 0.102 1.00 0.00 N ATOM 281 CA PHE A 39 -8.619 4.613 1.569 1.00 0.00 C ATOM 282 C PHE A 39 -8.758 6.026 2.159 1.00 0.00 C ATOM 283 O PHE A 39 -8.292 6.989 1.552 1.00 0.00 O ATOM 284 CB PHE A 39 -7.238 4.033 1.974 1.00 0.00 C ATOM 285 CG PHE A 39 -6.932 2.633 1.437 1.00 0.00 C ATOM 286 CD1 PHE A 39 -6.341 2.456 0.183 1.00 0.00 C ATOM 287 CD2 PHE A 39 -7.221 1.499 2.193 1.00 0.00 C ATOM 288 CE1 PHE A 39 -6.059 1.187 -0.293 1.00 0.00 C ATOM 289 CE2 PHE A 39 -6.941 0.237 1.717 1.00 0.00 C ATOM 290 CZ PHE A 39 -6.356 0.080 0.477 1.00 0.00 C ATOM 0 H PHE A 39 -8.084 5.363 -0.312 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.398 3.952 1.950 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.461 4.714 1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.178 4.008 3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.102 3.319 -0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.672 1.611 3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.607 1.063 -1.266 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.180 -0.630 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.130 -0.910 0.108 1.00 0.00 H new ATOM 300 N ALA A 40 -9.395 6.151 3.328 1.00 0.00 N ATOM 301 CA ALA A 40 -9.526 7.442 4.033 1.00 0.00 C ATOM 302 C ALA A 40 -8.542 7.496 5.212 1.00 0.00 C ATOM 303 O ALA A 40 -8.580 6.629 6.092 1.00 0.00 O ATOM 304 CB ALA A 40 -10.967 7.633 4.512 1.00 0.00 C ATOM 0 H ALA A 40 -9.834 5.369 3.814 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.284 8.254 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.054 8.588 5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.640 7.623 3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.234 6.824 5.192 1.00 0.00 H new ATOM 310 N VAL A 41 -7.651 8.505 5.215 1.00 0.00 N ATOM 311 CA VAL A 41 -6.624 8.700 6.268 1.00 0.00 C ATOM 312 C VAL A 41 -6.550 10.199 6.641 1.00 0.00 C ATOM 313 O VAL A 41 -6.595 11.032 5.747 1.00 0.00 O ATOM 314 CB VAL A 41 -5.203 8.170 5.819 1.00 0.00 C ATOM 315 CG1 VAL A 41 -5.190 6.637 5.639 1.00 0.00 C ATOM 316 CG2 VAL A 41 -4.699 8.866 4.532 1.00 0.00 C ATOM 0 H VAL A 41 -7.619 9.215 4.484 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.919 8.117 7.141 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.517 8.423 6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.195 6.315 5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.450 6.158 6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.916 6.354 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.720 8.469 4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.401 8.681 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.620 9.939 4.706 1.00 0.00 H new ATOM 326 N PRO A 42 -6.471 10.575 7.964 1.00 0.00 N ATOM 327 CA PRO A 42 -6.567 12.004 8.437 1.00 0.00 C ATOM 328 C PRO A 42 -5.356 12.919 8.104 1.00 0.00 C ATOM 329 O PRO A 42 -5.038 13.823 8.892 1.00 0.00 O ATOM 330 CB PRO A 42 -6.741 11.831 9.972 1.00 0.00 C ATOM 331 CG PRO A 42 -6.027 10.555 10.281 1.00 0.00 C ATOM 332 CD PRO A 42 -6.343 9.639 9.121 1.00 0.00 C ATOM 0 HA PRO A 42 -7.378 12.525 7.927 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.311 12.670 10.519 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.794 11.776 10.250 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.953 10.716 10.375 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.369 10.130 11.224 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.551 8.907 8.960 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.264 9.081 9.290 1.00 0.00 H new ATOM 340 N GLU A 43 -4.704 12.691 6.936 1.00 0.00 N ATOM 341 CA GLU A 43 -3.620 13.538 6.383 1.00 0.00 C ATOM 342 C GLU A 43 -2.361 13.515 7.262 1.00 0.00 C ATOM 343 O GLU A 43 -1.435 14.298 7.047 1.00 0.00 O ATOM 344 CB GLU A 43 -4.105 15.009 6.152 1.00 0.00 C ATOM 345 CG GLU A 43 -5.368 15.138 5.276 1.00 0.00 C ATOM 346 CD GLU A 43 -5.791 16.598 5.050 1.00 0.00 C ATOM 347 OE1 GLU A 43 -6.298 17.233 5.997 1.00 0.00 O ATOM 348 OE2 GLU A 43 -5.602 17.125 3.930 1.00 0.00 O ATOM 0 H GLU A 43 -4.924 11.894 6.339 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.352 13.110 5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.302 15.469 7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.297 15.575 5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.185 14.664 4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.188 14.596 5.747 1.00 0.00 H new ATOM 355 N ASN A 44 -2.338 12.595 8.237 1.00 0.00 N ATOM 356 CA ASN A 44 -1.260 12.472 9.230 1.00 0.00 C ATOM 357 C ASN A 44 -0.817 11.006 9.343 1.00 0.00 C ATOM 358 O ASN A 44 0.267 10.722 9.869 1.00 0.00 O ATOM 359 CB ASN A 44 -1.757 13.022 10.588 1.00 0.00 C ATOM 360 CG ASN A 44 -0.680 13.046 11.680 1.00 0.00 C ATOM 361 OD1 ASN A 44 -0.559 12.115 12.477 1.00 0.00 O ATOM 362 ND2 ASN A 44 0.123 14.099 11.707 1.00 0.00 N ATOM 0 H ASN A 44 -3.079 11.905 8.360 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.394 13.055 8.918 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.136 14.034 10.443 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.595 12.414 10.931 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.868 14.155 12.402 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.003 14.854 11.033 1.00 0.00 H new ATOM 369 N SER A 45 -1.665 10.072 8.844 1.00 0.00 N ATOM 370 CA SER A 45 -1.316 8.659 8.756 1.00 0.00 C ATOM 371 C SER A 45 -0.058 8.474 7.899 1.00 0.00 C ATOM 372 O SER A 45 -0.059 8.773 6.690 1.00 0.00 O ATOM 373 CB SER A 45 -2.477 7.840 8.172 1.00 0.00 C ATOM 374 OG SER A 45 -3.651 7.988 8.950 1.00 0.00 O ATOM 0 H SER A 45 -2.599 10.290 8.498 1.00 0.00 H new ATOM 0 HA SER A 45 -1.115 8.297 9.764 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.673 8.161 7.149 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.197 6.787 8.128 1.00 0.00 H new ATOM 0 HG SER A 45 -4.340 7.373 8.622 1.00 0.00 H new ATOM 380 N SER A 46 1.018 8.038 8.561 1.00 0.00 N ATOM 381 CA SER A 46 2.268 7.679 7.911 1.00 0.00 C ATOM 382 C SER A 46 2.055 6.502 6.964 1.00 0.00 C ATOM 383 O SER A 46 1.054 5.779 7.077 1.00 0.00 O ATOM 384 CB SER A 46 3.326 7.336 8.985 1.00 0.00 C ATOM 385 OG SER A 46 2.865 6.303 9.852 1.00 0.00 O ATOM 0 H SER A 46 1.039 7.926 9.575 1.00 0.00 H new ATOM 0 HA SER A 46 2.625 8.524 7.321 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.251 7.022 8.501 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.558 8.227 9.568 1.00 0.00 H new ATOM 0 HG SER A 46 3.382 6.320 10.685 1.00 0.00 H new ATOM 391 N VAL A 47 3.003 6.303 6.043 1.00 0.00 N ATOM 392 CA VAL A 47 3.037 5.105 5.200 1.00 0.00 C ATOM 393 C VAL A 47 3.099 3.842 6.099 1.00 0.00 C ATOM 394 O VAL A 47 2.537 2.812 5.746 1.00 0.00 O ATOM 395 CB VAL A 47 4.243 5.169 4.199 1.00 0.00 C ATOM 396 CG1 VAL A 47 4.374 3.880 3.351 1.00 0.00 C ATOM 397 CG2 VAL A 47 4.134 6.423 3.287 1.00 0.00 C ATOM 0 H VAL A 47 3.761 6.961 5.862 1.00 0.00 H new ATOM 0 HA VAL A 47 2.127 5.054 4.602 1.00 0.00 H new ATOM 0 HB VAL A 47 5.151 5.249 4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.223 3.974 2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.528 3.025 4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.463 3.732 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.980 6.448 2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.206 6.379 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.140 7.322 3.903 1.00 0.00 H new ATOM 407 N GLN A 48 3.712 3.997 7.309 1.00 0.00 N ATOM 408 CA GLN A 48 3.773 2.955 8.358 1.00 0.00 C ATOM 409 C GLN A 48 2.378 2.503 8.823 1.00 0.00 C ATOM 410 O GLN A 48 2.160 1.319 9.071 1.00 0.00 O ATOM 411 CB GLN A 48 4.592 3.452 9.579 1.00 0.00 C ATOM 412 CG GLN A 48 4.807 2.391 10.691 1.00 0.00 C ATOM 413 CD GLN A 48 5.872 2.763 11.727 1.00 0.00 C ATOM 414 OE1 GLN A 48 6.102 3.932 12.020 1.00 0.00 O ATOM 415 NE2 GLN A 48 6.526 1.768 12.300 1.00 0.00 N ATOM 0 H GLN A 48 4.181 4.862 7.578 1.00 0.00 H new ATOM 0 HA GLN A 48 4.269 2.094 7.910 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.566 3.796 9.230 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.086 4.315 10.012 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.860 2.225 11.205 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.086 1.446 10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.317 0.804 12.040 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.239 1.964 13.002 1.00 0.00 H new ATOM 424 N GLN A 49 1.452 3.455 8.966 1.00 0.00 N ATOM 425 CA GLN A 49 0.054 3.158 9.346 1.00 0.00 C ATOM 426 C GLN A 49 -0.775 2.725 8.119 1.00 0.00 C ATOM 427 O GLN A 49 -1.727 1.933 8.231 1.00 0.00 O ATOM 428 CB GLN A 49 -0.595 4.405 10.016 1.00 0.00 C ATOM 429 CG GLN A 49 -2.081 4.214 10.413 1.00 0.00 C ATOM 430 CD GLN A 49 -2.753 5.457 10.997 1.00 0.00 C ATOM 431 OE1 GLN A 49 -2.120 6.289 11.644 1.00 0.00 O ATOM 432 NE2 GLN A 49 -4.047 5.589 10.776 1.00 0.00 N ATOM 0 H GLN A 49 1.640 4.447 8.825 1.00 0.00 H new ATOM 0 HA GLN A 49 0.064 2.333 10.058 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.023 4.663 10.907 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.519 5.251 9.333 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.640 3.896 9.533 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.147 3.406 11.142 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.547 4.883 10.236 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.548 6.397 11.146 1.00 0.00 H new ATOM 441 N PHE A 50 -0.377 3.229 6.947 1.00 0.00 N ATOM 442 CA PHE A 50 -1.181 3.154 5.724 1.00 0.00 C ATOM 443 C PHE A 50 -1.128 1.760 5.079 1.00 0.00 C ATOM 444 O PHE A 50 -2.172 1.195 4.743 1.00 0.00 O ATOM 445 CB PHE A 50 -0.717 4.240 4.729 1.00 0.00 C ATOM 446 CG PHE A 50 -1.620 4.396 3.512 1.00 0.00 C ATOM 447 CD1 PHE A 50 -2.986 4.624 3.669 1.00 0.00 C ATOM 448 CD2 PHE A 50 -1.112 4.327 2.222 1.00 0.00 C ATOM 449 CE1 PHE A 50 -3.808 4.769 2.576 1.00 0.00 C ATOM 450 CE2 PHE A 50 -1.936 4.472 1.130 1.00 0.00 C ATOM 451 CZ PHE A 50 -3.287 4.695 1.309 1.00 0.00 C ATOM 0 H PHE A 50 0.517 3.703 6.820 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.222 3.334 5.994 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.661 5.195 5.251 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.291 4.001 4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.405 4.688 4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.056 4.157 2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.865 4.941 2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.526 4.411 0.133 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.933 4.811 0.452 1.00 0.00 H new ATOM 461 N LYS A 51 0.093 1.196 4.926 1.00 0.00 N ATOM 462 CA LYS A 51 0.277 -0.116 4.258 1.00 0.00 C ATOM 463 C LYS A 51 -0.330 -1.258 5.093 1.00 0.00 C ATOM 464 O LYS A 51 -0.577 -2.335 4.571 1.00 0.00 O ATOM 465 CB LYS A 51 1.773 -0.384 3.874 1.00 0.00 C ATOM 466 CG LYS A 51 2.702 -1.035 4.936 1.00 0.00 C ATOM 467 CD LYS A 51 2.824 -0.235 6.252 1.00 0.00 C ATOM 468 CE LYS A 51 4.121 -0.529 7.023 1.00 0.00 C ATOM 469 NZ LYS A 51 4.262 -1.956 7.388 1.00 0.00 N ATOM 0 H LYS A 51 0.959 1.624 5.253 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.272 -0.080 3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.780 -1.022 2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.217 0.568 3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.329 -2.033 5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.696 -1.157 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.776 0.831 6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.970 -0.465 6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.975 -0.228 6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.145 0.077 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.917 -2.046 8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.333 -2.340 7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.636 -2.487 6.576 1.00 0.00 H new ATOM 483 N GLU A 52 -0.581 -0.983 6.385 1.00 0.00 N ATOM 484 CA GLU A 52 -1.313 -1.886 7.286 1.00 0.00 C ATOM 485 C GLU A 52 -2.759 -2.083 6.778 1.00 0.00 C ATOM 486 O GLU A 52 -3.230 -3.219 6.611 1.00 0.00 O ATOM 487 CB GLU A 52 -1.348 -1.277 8.707 1.00 0.00 C ATOM 488 CG GLU A 52 0.017 -0.875 9.287 1.00 0.00 C ATOM 489 CD GLU A 52 0.891 -2.055 9.724 1.00 0.00 C ATOM 490 OE1 GLU A 52 0.531 -2.741 10.691 1.00 0.00 O ATOM 491 OE2 GLU A 52 1.956 -2.277 9.137 1.00 0.00 O ATOM 0 H GLU A 52 -0.278 -0.120 6.836 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.808 -2.852 7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.990 -0.396 8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.812 -1.997 9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.559 -0.294 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.144 -0.221 10.144 1.00 0.00 H new ATOM 498 N GLU A 53 -3.436 -0.935 6.520 1.00 0.00 N ATOM 499 CA GLU A 53 -4.805 -0.888 5.973 1.00 0.00 C ATOM 500 C GLU A 53 -4.871 -1.596 4.617 1.00 0.00 C ATOM 501 O GLU A 53 -5.817 -2.343 4.341 1.00 0.00 O ATOM 502 CB GLU A 53 -5.275 0.588 5.819 1.00 0.00 C ATOM 503 CG GLU A 53 -5.416 1.366 7.140 1.00 0.00 C ATOM 504 CD GLU A 53 -6.465 0.755 8.093 1.00 0.00 C ATOM 505 OE1 GLU A 53 -7.674 0.814 7.788 1.00 0.00 O ATOM 506 OE2 GLU A 53 -6.097 0.215 9.149 1.00 0.00 O ATOM 0 H GLU A 53 -3.038 -0.011 6.689 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.467 -1.403 6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.567 1.114 5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.236 0.596 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.449 1.394 7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.691 2.397 6.920 1.00 0.00 H new ATOM 513 N ILE A 54 -3.842 -1.344 3.794 1.00 0.00 N ATOM 514 CA ILE A 54 -3.713 -1.924 2.456 1.00 0.00 C ATOM 515 C ILE A 54 -3.563 -3.467 2.520 1.00 0.00 C ATOM 516 O ILE A 54 -4.264 -4.193 1.817 1.00 0.00 O ATOM 517 CB ILE A 54 -2.478 -1.308 1.698 1.00 0.00 C ATOM 518 CG1 ILE A 54 -2.584 0.248 1.576 1.00 0.00 C ATOM 519 CG2 ILE A 54 -2.314 -1.924 0.300 1.00 0.00 C ATOM 520 CD1 ILE A 54 -1.412 0.900 0.842 1.00 0.00 C ATOM 0 H ILE A 54 -3.071 -0.725 4.044 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.626 -1.686 1.910 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.598 -1.547 2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.509 0.498 1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.655 0.676 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.453 -1.477 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.162 -2.999 0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.211 -1.734 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.563 1.979 0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.485 0.683 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.351 0.503 -0.171 1.00 0.00 H new ATOM 532 N SER A 55 -2.661 -3.956 3.390 1.00 0.00 N ATOM 533 CA SER A 55 -2.289 -5.385 3.447 1.00 0.00 C ATOM 534 C SER A 55 -3.479 -6.281 3.810 1.00 0.00 C ATOM 535 O SER A 55 -3.735 -7.269 3.125 1.00 0.00 O ATOM 536 CB SER A 55 -1.117 -5.601 4.416 1.00 0.00 C ATOM 537 OG SER A 55 0.044 -4.945 3.940 1.00 0.00 O ATOM 0 H SER A 55 -2.170 -3.377 4.071 1.00 0.00 H new ATOM 0 HA SER A 55 -1.969 -5.677 2.447 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.378 -5.221 5.403 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.920 -6.667 4.527 1.00 0.00 H new ATOM 0 HG SER A 55 -0.036 -3.981 4.099 1.00 0.00 H new ATOM 543 N LYS A 56 -4.226 -5.907 4.861 1.00 0.00 N ATOM 544 CA LYS A 56 -5.419 -6.673 5.296 1.00 0.00 C ATOM 545 C LYS A 56 -6.556 -6.548 4.264 1.00 0.00 C ATOM 546 O LYS A 56 -7.401 -7.441 4.154 1.00 0.00 O ATOM 547 CB LYS A 56 -5.887 -6.202 6.703 1.00 0.00 C ATOM 548 CG LYS A 56 -6.358 -4.732 6.764 1.00 0.00 C ATOM 549 CD LYS A 56 -6.791 -4.298 8.182 1.00 0.00 C ATOM 550 CE LYS A 56 -7.267 -2.837 8.234 1.00 0.00 C ATOM 551 NZ LYS A 56 -7.629 -2.410 9.610 1.00 0.00 N ATOM 0 H LYS A 56 -4.031 -5.082 5.428 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.145 -7.726 5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.702 -6.845 7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.067 -6.337 7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.552 -4.083 6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.193 -4.594 6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.593 -4.950 8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.955 -4.428 8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.481 -2.187 7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.130 -2.715 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.238 -1.464 9.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.664 -2.381 9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.238 -3.086 10.297 1.00 0.00 H new ATOM 565 N ARG A 57 -6.551 -5.439 3.497 1.00 0.00 N ATOM 566 CA ARG A 57 -7.550 -5.191 2.447 1.00 0.00 C ATOM 567 C ARG A 57 -7.365 -6.184 1.288 1.00 0.00 C ATOM 568 O ARG A 57 -8.333 -6.704 0.735 1.00 0.00 O ATOM 569 CB ARG A 57 -7.436 -3.724 1.917 1.00 0.00 C ATOM 570 CG ARG A 57 -8.779 -3.067 1.516 1.00 0.00 C ATOM 571 CD ARG A 57 -9.537 -2.481 2.722 1.00 0.00 C ATOM 572 NE ARG A 57 -9.811 -3.466 3.799 1.00 0.00 N ATOM 573 CZ ARG A 57 -9.895 -3.179 5.109 1.00 0.00 C ATOM 574 NH1 ARG A 57 -9.672 -1.955 5.555 1.00 0.00 N ATOM 575 NH2 ARG A 57 -10.179 -4.134 5.981 1.00 0.00 N ATOM 0 H ARG A 57 -5.858 -4.697 3.590 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.542 -5.331 2.877 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.964 -3.112 2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.773 -3.717 1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.589 -2.275 0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.408 -3.807 1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.957 -1.656 3.137 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.483 -2.064 2.376 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.946 -4.438 3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.432 -1.210 4.901 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.740 -1.756 6.553 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.334 -5.089 5.659 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.242 -3.915 6.975 1.00 0.00 H new ATOM 589 N PHE A 58 -6.091 -6.439 0.948 1.00 0.00 N ATOM 590 CA PHE A 58 -5.706 -7.305 -0.183 1.00 0.00 C ATOM 591 C PHE A 58 -5.072 -8.611 0.314 1.00 0.00 C ATOM 592 O PHE A 58 -4.358 -9.259 -0.432 1.00 0.00 O ATOM 593 CB PHE A 58 -4.765 -6.530 -1.139 1.00 0.00 C ATOM 594 CG PHE A 58 -5.352 -5.190 -1.581 1.00 0.00 C ATOM 595 CD1 PHE A 58 -6.466 -5.135 -2.416 1.00 0.00 C ATOM 596 CD2 PHE A 58 -4.818 -3.996 -1.130 1.00 0.00 C ATOM 597 CE1 PHE A 58 -7.013 -3.928 -2.788 1.00 0.00 C ATOM 598 CE2 PHE A 58 -5.365 -2.792 -1.498 1.00 0.00 C ATOM 599 CZ PHE A 58 -6.463 -2.759 -2.325 1.00 0.00 C ATOM 0 H PHE A 58 -5.294 -6.049 1.451 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.601 -7.583 -0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.810 -6.358 -0.643 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.562 -7.142 -2.018 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.907 -6.053 -2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.957 -4.011 -0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.872 -3.901 -3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.933 -1.870 -1.138 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.894 -1.811 -2.611 1.00 0.00 H new ATOM 609 N LYS A 59 -5.323 -8.959 1.599 1.00 0.00 N ATOM 610 CA LYS A 59 -5.051 -10.305 2.189 1.00 0.00 C ATOM 611 C LYS A 59 -3.583 -10.758 2.012 1.00 0.00 C ATOM 612 O LYS A 59 -3.297 -11.938 1.770 1.00 0.00 O ATOM 613 CB LYS A 59 -6.046 -11.343 1.602 1.00 0.00 C ATOM 614 CG LYS A 59 -7.515 -10.881 1.616 1.00 0.00 C ATOM 615 CD LYS A 59 -8.042 -10.518 3.019 1.00 0.00 C ATOM 616 CE LYS A 59 -9.479 -9.981 2.959 1.00 0.00 C ATOM 617 NZ LYS A 59 -9.616 -8.827 2.022 1.00 0.00 N ATOM 0 H LYS A 59 -5.727 -8.306 2.271 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.205 -10.231 3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.757 -11.568 0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.962 -12.271 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.619 -10.014 0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.138 -11.671 1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.008 -11.399 3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.391 -9.769 3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.150 -10.781 2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.791 -9.674 3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.290 -8.139 2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.690 -8.371 1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.964 -9.166 1.102 1.00 0.00 H new ATOM 631 N SER A 60 -2.667 -9.801 2.159 1.00 0.00 N ATOM 632 CA SER A 60 -1.219 -10.019 2.092 1.00 0.00 C ATOM 633 C SER A 60 -0.557 -9.491 3.385 1.00 0.00 C ATOM 634 O SER A 60 -1.218 -8.843 4.207 1.00 0.00 O ATOM 635 CB SER A 60 -0.666 -9.314 0.838 1.00 0.00 C ATOM 636 OG SER A 60 -1.321 -9.756 -0.342 1.00 0.00 O ATOM 0 H SER A 60 -2.916 -8.827 2.332 1.00 0.00 H new ATOM 0 HA SER A 60 -0.994 -11.083 2.015 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.790 -8.236 0.942 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.404 -9.505 0.754 1.00 0.00 H new ATOM 0 HG SER A 60 -2.259 -9.473 -0.321 1.00 0.00 H new ATOM 642 N HIS A 61 0.734 -9.802 3.569 1.00 0.00 N ATOM 643 CA HIS A 61 1.514 -9.380 4.759 1.00 0.00 C ATOM 644 C HIS A 61 2.350 -8.137 4.414 1.00 0.00 C ATOM 645 O HIS A 61 3.045 -8.153 3.417 1.00 0.00 O ATOM 646 CB HIS A 61 2.427 -10.541 5.223 1.00 0.00 C ATOM 647 CG HIS A 61 3.196 -10.267 6.495 1.00 0.00 C ATOM 648 ND1 HIS A 61 4.561 -10.082 6.531 1.00 0.00 N ATOM 649 CD2 HIS A 61 2.777 -10.157 7.778 1.00 0.00 C ATOM 650 CE1 HIS A 61 4.943 -9.873 7.774 1.00 0.00 C ATOM 651 NE2 HIS A 61 3.880 -9.914 8.550 1.00 0.00 N ATOM 0 H HIS A 61 1.274 -10.353 2.902 1.00 0.00 H new ATOM 0 HA HIS A 61 0.834 -9.127 5.572 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.815 -11.431 5.369 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.136 -10.768 4.427 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.759 -10.245 8.128 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.957 -9.698 8.102 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.879 -9.786 9.562 1.00 0.00 H new ATOM 660 N THR A 62 2.314 -7.105 5.281 1.00 0.00 N ATOM 661 CA THR A 62 2.925 -5.763 5.049 1.00 0.00 C ATOM 662 C THR A 62 4.370 -5.801 4.498 1.00 0.00 C ATOM 663 O THR A 62 4.747 -4.952 3.681 1.00 0.00 O ATOM 664 CB THR A 62 2.890 -4.937 6.377 1.00 0.00 C ATOM 665 OG1 THR A 62 3.440 -5.731 7.437 1.00 0.00 O ATOM 666 CG2 THR A 62 1.466 -4.505 6.765 1.00 0.00 C ATOM 0 H THR A 62 1.850 -7.175 6.187 1.00 0.00 H new ATOM 0 HA THR A 62 2.324 -5.289 4.273 1.00 0.00 H new ATOM 0 HB THR A 62 3.477 -4.033 6.216 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.423 -5.219 8.272 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.499 -3.935 7.694 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.046 -3.885 5.973 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.843 -5.388 6.903 1.00 0.00 H new ATOM 674 N ASP A 63 5.139 -6.809 4.935 1.00 0.00 N ATOM 675 CA ASP A 63 6.559 -6.998 4.561 1.00 0.00 C ATOM 676 C ASP A 63 6.777 -7.093 3.023 1.00 0.00 C ATOM 677 O ASP A 63 7.805 -6.639 2.513 1.00 0.00 O ATOM 678 CB ASP A 63 7.080 -8.279 5.254 1.00 0.00 C ATOM 679 CG ASP A 63 8.563 -8.580 4.993 1.00 0.00 C ATOM 680 OD1 ASP A 63 9.431 -7.962 5.646 1.00 0.00 O ATOM 681 OD2 ASP A 63 8.875 -9.433 4.137 1.00 0.00 O ATOM 0 H ASP A 63 4.792 -7.530 5.568 1.00 0.00 H new ATOM 0 HA ASP A 63 7.115 -6.121 4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.924 -8.186 6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.484 -9.128 4.918 1.00 0.00 H new ATOM 686 N GLN A 64 5.805 -7.666 2.295 1.00 0.00 N ATOM 687 CA GLN A 64 5.918 -7.885 0.828 1.00 0.00 C ATOM 688 C GLN A 64 5.209 -6.779 0.012 1.00 0.00 C ATOM 689 O GLN A 64 5.187 -6.833 -1.223 1.00 0.00 O ATOM 690 CB GLN A 64 5.379 -9.297 0.472 1.00 0.00 C ATOM 691 CG GLN A 64 3.869 -9.512 0.722 1.00 0.00 C ATOM 692 CD GLN A 64 3.440 -10.978 0.867 1.00 0.00 C ATOM 693 OE1 GLN A 64 2.493 -11.288 1.590 1.00 0.00 O ATOM 694 NE2 GLN A 64 4.099 -11.888 0.163 1.00 0.00 N ATOM 0 H GLN A 64 4.924 -7.991 2.693 1.00 0.00 H new ATOM 0 HA GLN A 64 6.972 -7.829 0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.587 -9.492 -0.580 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.935 -10.036 1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.585 -8.975 1.627 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.312 -9.066 -0.102 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.881 -11.607 -0.429 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.824 -12.869 0.214 1.00 0.00 H new ATOM 703 N LEU A 65 4.629 -5.778 0.713 1.00 0.00 N ATOM 704 CA LEU A 65 3.983 -4.608 0.073 1.00 0.00 C ATOM 705 C LEU A 65 4.895 -3.382 0.171 1.00 0.00 C ATOM 706 O LEU A 65 5.248 -2.957 1.275 1.00 0.00 O ATOM 707 CB LEU A 65 2.603 -4.266 0.714 1.00 0.00 C ATOM 708 CG LEU A 65 1.436 -5.255 0.411 1.00 0.00 C ATOM 709 CD1 LEU A 65 1.576 -6.556 1.197 1.00 0.00 C ATOM 710 CD2 LEU A 65 0.060 -4.600 0.654 1.00 0.00 C ATOM 0 H LEU A 65 4.595 -5.758 1.732 1.00 0.00 H new ATOM 0 HA LEU A 65 3.814 -4.873 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.732 -4.210 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.306 -3.273 0.377 1.00 0.00 H new ATOM 0 HG LEU A 65 1.499 -5.507 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.743 -7.217 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.514 -7.043 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.571 -6.338 2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.729 -5.319 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.015 -4.288 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.049 -3.731 0.006 1.00 0.00 H new ATOM 722 N VAL A 66 5.272 -2.825 -0.987 1.00 0.00 N ATOM 723 CA VAL A 66 6.005 -1.552 -1.073 1.00 0.00 C ATOM 724 C VAL A 66 5.197 -0.553 -1.918 1.00 0.00 C ATOM 725 O VAL A 66 4.721 -0.886 -3.014 1.00 0.00 O ATOM 726 CB VAL A 66 7.463 -1.743 -1.659 1.00 0.00 C ATOM 727 CG1 VAL A 66 8.355 -2.551 -0.683 1.00 0.00 C ATOM 728 CG2 VAL A 66 7.447 -2.414 -3.059 1.00 0.00 C ATOM 0 H VAL A 66 5.077 -3.245 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 66 6.125 -1.158 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 66 7.889 -0.746 -1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.351 -2.667 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.428 -2.021 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.915 -3.534 -0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.469 -2.525 -3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.979 -3.396 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.881 -1.793 -3.754 1.00 0.00 H new ATOM 738 N LEU A 67 4.994 0.651 -1.372 1.00 0.00 N ATOM 739 CA LEU A 67 4.395 1.769 -2.110 1.00 0.00 C ATOM 740 C LEU A 67 5.501 2.511 -2.864 1.00 0.00 C ATOM 741 O LEU A 67 6.657 2.498 -2.448 1.00 0.00 O ATOM 742 CB LEU A 67 3.668 2.733 -1.147 1.00 0.00 C ATOM 743 CG LEU A 67 2.353 2.201 -0.502 1.00 0.00 C ATOM 744 CD1 LEU A 67 1.791 3.206 0.522 1.00 0.00 C ATOM 745 CD2 LEU A 67 1.291 1.875 -1.583 1.00 0.00 C ATOM 0 H LEU A 67 5.240 0.878 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 67 3.660 1.382 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.357 3.002 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.437 3.649 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 67 2.596 1.278 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.874 2.809 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.525 3.370 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.577 4.152 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.385 1.506 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.060 2.777 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.681 1.112 -2.257 1.00 0.00 H new ATOM 757 N ILE A 68 5.141 3.103 -4.005 1.00 0.00 N ATOM 758 CA ILE A 68 6.021 3.961 -4.803 1.00 0.00 C ATOM 759 C ILE A 68 5.225 5.211 -5.213 1.00 0.00 C ATOM 760 O ILE A 68 4.070 5.103 -5.663 1.00 0.00 O ATOM 761 CB ILE A 68 6.603 3.260 -6.110 1.00 0.00 C ATOM 762 CG1 ILE A 68 7.457 1.979 -5.781 1.00 0.00 C ATOM 763 CG2 ILE A 68 7.449 4.258 -6.946 1.00 0.00 C ATOM 764 CD1 ILE A 68 6.663 0.691 -5.600 1.00 0.00 C ATOM 0 H ILE A 68 4.210 2.997 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 68 6.883 4.204 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 68 5.742 2.939 -6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 68 8.180 1.830 -6.583 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.025 2.166 -4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.835 3.755 -7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.825 5.099 -7.249 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.282 4.622 -6.344 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.346 -0.129 -5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.958 0.811 -4.777 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.116 0.469 -6.516 1.00 0.00 H new ATOM 776 N PHE A 69 5.848 6.382 -5.051 1.00 0.00 N ATOM 777 CA PHE A 69 5.291 7.662 -5.501 1.00 0.00 C ATOM 778 C PHE A 69 6.448 8.612 -5.832 1.00 0.00 C ATOM 779 O PHE A 69 7.459 8.647 -5.104 1.00 0.00 O ATOM 780 CB PHE A 69 4.342 8.289 -4.442 1.00 0.00 C ATOM 781 CG PHE A 69 3.545 9.505 -4.951 1.00 0.00 C ATOM 782 CD1 PHE A 69 2.322 9.333 -5.606 1.00 0.00 C ATOM 783 CD2 PHE A 69 4.008 10.813 -4.776 1.00 0.00 C ATOM 784 CE1 PHE A 69 1.604 10.424 -6.072 1.00 0.00 C ATOM 785 CE2 PHE A 69 3.290 11.896 -5.243 1.00 0.00 C ATOM 786 CZ PHE A 69 2.083 11.702 -5.887 1.00 0.00 C ATOM 0 H PHE A 69 6.759 6.469 -4.601 1.00 0.00 H new ATOM 0 HA PHE A 69 4.687 7.489 -6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.642 7.526 -4.101 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.931 8.591 -3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.931 8.337 -5.751 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.945 10.979 -4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.665 10.271 -6.582 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.672 12.896 -5.105 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.517 12.550 -6.244 1.00 0.00 H new ATOM 796 N ALA A 70 6.281 9.357 -6.945 1.00 0.00 N ATOM 797 CA ALA A 70 7.246 10.359 -7.442 1.00 0.00 C ATOM 798 C ALA A 70 8.604 9.723 -7.839 1.00 0.00 C ATOM 799 O ALA A 70 9.617 10.422 -7.959 1.00 0.00 O ATOM 800 CB ALA A 70 7.406 11.509 -6.421 1.00 0.00 C ATOM 0 H ALA A 70 5.453 9.276 -7.536 1.00 0.00 H new ATOM 0 HA ALA A 70 6.842 10.786 -8.360 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.120 12.238 -6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.442 11.993 -6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.768 11.108 -5.475 1.00 0.00 H new ATOM 806 N GLY A 71 8.597 8.399 -8.064 1.00 0.00 N ATOM 807 CA GLY A 71 9.764 7.661 -8.551 1.00 0.00 C ATOM 808 C GLY A 71 10.576 6.983 -7.449 1.00 0.00 C ATOM 809 O GLY A 71 11.639 6.425 -7.738 1.00 0.00 O ATOM 0 H GLY A 71 7.777 7.812 -7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.432 6.904 -9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.413 8.346 -9.096 1.00 0.00 H new ATOM 813 N LYS A 72 10.097 7.013 -6.187 1.00 0.00 N ATOM 814 CA LYS A 72 10.816 6.401 -5.038 1.00 0.00 C ATOM 815 C LYS A 72 9.861 5.534 -4.205 1.00 0.00 C ATOM 816 O LYS A 72 8.656 5.801 -4.147 1.00 0.00 O ATOM 817 CB LYS A 72 11.499 7.500 -4.160 1.00 0.00 C ATOM 818 CG LYS A 72 10.542 8.467 -3.392 1.00 0.00 C ATOM 819 CD LYS A 72 10.188 8.019 -1.939 1.00 0.00 C ATOM 820 CE LYS A 72 11.414 7.958 -1.003 1.00 0.00 C ATOM 821 NZ LYS A 72 11.042 7.535 0.381 1.00 0.00 N ATOM 0 H LYS A 72 9.213 7.455 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 72 11.602 5.755 -5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.142 7.005 -3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.146 8.098 -4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.002 9.454 -3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.618 8.569 -3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.455 8.710 -1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.717 7.037 -1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.147 7.261 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.891 8.937 -0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.905 7.392 0.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.457 8.272 0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.505 6.645 0.340 1.00 0.00 H new ATOM 835 N ILE A 73 10.434 4.516 -3.549 1.00 0.00 N ATOM 836 CA ILE A 73 9.701 3.623 -2.635 1.00 0.00 C ATOM 837 C ILE A 73 9.350 4.363 -1.315 1.00 0.00 C ATOM 838 O ILE A 73 10.227 4.913 -0.637 1.00 0.00 O ATOM 839 CB ILE A 73 10.474 2.260 -2.332 1.00 0.00 C ATOM 840 CG1 ILE A 73 11.761 2.426 -1.434 1.00 0.00 C ATOM 841 CG2 ILE A 73 10.822 1.527 -3.654 1.00 0.00 C ATOM 842 CD1 ILE A 73 12.893 3.258 -2.019 1.00 0.00 C ATOM 0 H ILE A 73 11.424 4.286 -3.636 1.00 0.00 H new ATOM 0 HA ILE A 73 8.779 3.344 -3.146 1.00 0.00 H new ATOM 0 HB ILE A 73 9.784 1.655 -1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.461 2.875 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.149 1.433 -1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.349 0.600 -3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.904 1.300 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.458 2.165 -4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.719 3.298 -1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.235 2.804 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.536 4.269 -2.218 1.00 0.00 H new ATOM 854 N LEU A 74 8.050 4.442 -1.010 1.00 0.00 N ATOM 855 CA LEU A 74 7.550 5.010 0.246 1.00 0.00 C ATOM 856 C LEU A 74 7.823 4.032 1.397 1.00 0.00 C ATOM 857 O LEU A 74 7.342 2.890 1.390 1.00 0.00 O ATOM 858 CB LEU A 74 6.035 5.320 0.158 1.00 0.00 C ATOM 859 CG LEU A 74 5.580 6.231 -1.022 1.00 0.00 C ATOM 860 CD1 LEU A 74 4.070 6.543 -0.930 1.00 0.00 C ATOM 861 CD2 LEU A 74 6.411 7.534 -1.091 1.00 0.00 C ATOM 0 H LEU A 74 7.312 4.112 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 74 8.073 5.948 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.497 4.375 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.728 5.792 1.091 1.00 0.00 H new ATOM 0 HG LEU A 74 5.758 5.681 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.779 7.180 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.503 5.613 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.861 7.057 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.064 8.143 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.292 8.091 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.463 7.287 -1.234 1.00 0.00 H new ATOM 873 N LYS A 75 8.624 4.488 2.355 1.00 0.00 N ATOM 874 CA LYS A 75 8.997 3.714 3.546 1.00 0.00 C ATOM 875 C LYS A 75 8.133 4.144 4.730 1.00 0.00 C ATOM 876 O LYS A 75 7.441 5.160 4.664 1.00 0.00 O ATOM 877 CB LYS A 75 10.502 3.930 3.838 1.00 0.00 C ATOM 878 CG LYS A 75 11.437 3.415 2.713 1.00 0.00 C ATOM 879 CD LYS A 75 11.399 1.877 2.550 1.00 0.00 C ATOM 880 CE LYS A 75 11.912 1.141 3.802 1.00 0.00 C ATOM 881 NZ LYS A 75 11.770 -0.334 3.685 1.00 0.00 N ATOM 0 H LYS A 75 9.041 5.419 2.330 1.00 0.00 H new ATOM 0 HA LYS A 75 8.826 2.651 3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.684 4.994 3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.758 3.426 4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.152 3.882 1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.459 3.727 2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.377 1.562 2.340 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.004 1.590 1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.960 1.391 3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.362 1.489 4.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.128 -0.787 4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.767 -0.577 3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.316 -0.671 2.866 1.00 0.00 H new ATOM 895 N ASP A 76 8.202 3.373 5.820 1.00 0.00 N ATOM 896 CA ASP A 76 7.396 3.605 7.037 1.00 0.00 C ATOM 897 C ASP A 76 7.731 4.963 7.703 1.00 0.00 C ATOM 898 O ASP A 76 6.882 5.557 8.383 1.00 0.00 O ATOM 899 CB ASP A 76 7.598 2.426 8.028 1.00 0.00 C ATOM 900 CG ASP A 76 8.973 2.421 8.712 1.00 0.00 C ATOM 901 OD1 ASP A 76 10.002 2.369 8.004 1.00 0.00 O ATOM 902 OD2 ASP A 76 9.039 2.484 9.960 1.00 0.00 O ATOM 0 H ASP A 76 8.820 2.564 5.890 1.00 0.00 H new ATOM 0 HA ASP A 76 6.346 3.651 6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.822 2.469 8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.466 1.486 7.492 1.00 0.00 H new ATOM 907 N GLN A 77 8.969 5.444 7.471 1.00 0.00 N ATOM 908 CA GLN A 77 9.453 6.745 7.981 1.00 0.00 C ATOM 909 C GLN A 77 8.824 7.931 7.213 1.00 0.00 C ATOM 910 O GLN A 77 8.785 9.057 7.726 1.00 0.00 O ATOM 911 CB GLN A 77 10.999 6.809 7.897 1.00 0.00 C ATOM 912 CG GLN A 77 11.581 6.742 6.467 1.00 0.00 C ATOM 913 CD GLN A 77 13.112 6.835 6.440 1.00 0.00 C ATOM 914 OE1 GLN A 77 13.813 5.825 6.496 1.00 0.00 O ATOM 915 NE2 GLN A 77 13.645 8.045 6.364 1.00 0.00 N ATOM 0 H GLN A 77 9.665 4.939 6.922 1.00 0.00 H new ATOM 0 HA GLN A 77 9.146 6.828 9.024 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.335 7.734 8.366 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.413 5.987 8.480 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.271 5.809 5.997 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.162 7.553 5.871 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.042 8.866 6.319 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.659 8.156 6.351 1.00 0.00 H new ATOM 924 N ASP A 78 8.346 7.664 5.982 1.00 0.00 N ATOM 925 CA ASP A 78 7.620 8.655 5.159 1.00 0.00 C ATOM 926 C ASP A 78 6.150 8.739 5.606 1.00 0.00 C ATOM 927 O ASP A 78 5.617 7.795 6.210 1.00 0.00 O ATOM 928 CB ASP A 78 7.652 8.261 3.648 1.00 0.00 C ATOM 929 CG ASP A 78 9.064 8.226 3.028 1.00 0.00 C ATOM 930 OD1 ASP A 78 9.752 7.194 3.149 1.00 0.00 O ATOM 931 OD2 ASP A 78 9.483 9.222 2.389 1.00 0.00 O ATOM 0 H ASP A 78 8.451 6.756 5.529 1.00 0.00 H new ATOM 0 HA ASP A 78 8.113 9.618 5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.193 7.279 3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.040 8.968 3.088 1.00 0.00 H new ATOM 936 N THR A 79 5.504 9.879 5.320 1.00 0.00 N ATOM 937 CA THR A 79 4.038 9.981 5.294 1.00 0.00 C ATOM 938 C THR A 79 3.633 10.323 3.860 1.00 0.00 C ATOM 939 O THR A 79 4.368 11.029 3.149 1.00 0.00 O ATOM 940 CB THR A 79 3.449 11.057 6.282 1.00 0.00 C ATOM 941 OG1 THR A 79 3.714 12.378 5.818 1.00 0.00 O ATOM 942 CG2 THR A 79 4.007 10.912 7.707 1.00 0.00 C ATOM 0 H THR A 79 5.981 10.753 5.101 1.00 0.00 H new ATOM 0 HA THR A 79 3.630 9.027 5.628 1.00 0.00 H new ATOM 0 HB THR A 79 2.373 10.883 6.312 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.337 13.028 6.447 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.570 11.677 8.349 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.757 9.925 8.097 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.090 11.031 7.687 1.00 0.00 H new ATOM 950 N LEU A 80 2.478 9.802 3.432 1.00 0.00 N ATOM 951 CA LEU A 80 1.922 10.079 2.098 1.00 0.00 C ATOM 952 C LEU A 80 1.706 11.601 1.878 1.00 0.00 C ATOM 953 O LEU A 80 2.024 12.128 0.810 1.00 0.00 O ATOM 954 CB LEU A 80 0.634 9.217 1.869 1.00 0.00 C ATOM 955 CG LEU A 80 -0.367 9.054 3.078 1.00 0.00 C ATOM 956 CD1 LEU A 80 -1.205 10.313 3.362 1.00 0.00 C ATOM 957 CD2 LEU A 80 -1.275 7.832 2.878 1.00 0.00 C ATOM 0 H LEU A 80 1.902 9.178 3.997 1.00 0.00 H new ATOM 0 HA LEU A 80 2.641 9.781 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.084 9.652 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.949 8.221 1.558 1.00 0.00 H new ATOM 0 HG LEU A 80 0.254 8.898 3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.869 10.125 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.542 11.145 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.798 10.562 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.955 7.742 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.851 7.953 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.664 6.932 2.806 1.00 0.00 H new ATOM 969 N SER A 81 1.262 12.290 2.946 1.00 0.00 N ATOM 970 CA SER A 81 0.993 13.738 2.949 1.00 0.00 C ATOM 971 C SER A 81 2.284 14.550 2.703 1.00 0.00 C ATOM 972 O SER A 81 2.281 15.536 1.952 1.00 0.00 O ATOM 973 CB SER A 81 0.361 14.125 4.308 1.00 0.00 C ATOM 974 OG SER A 81 0.016 15.499 4.365 1.00 0.00 O ATOM 0 H SER A 81 1.077 11.847 3.846 1.00 0.00 H new ATOM 0 HA SER A 81 0.303 13.973 2.138 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.530 13.521 4.478 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.061 13.894 5.111 1.00 0.00 H new ATOM 0 HG SER A 81 -0.381 15.701 5.238 1.00 0.00 H new ATOM 980 N GLN A 82 3.388 14.090 3.320 1.00 0.00 N ATOM 981 CA GLN A 82 4.715 14.729 3.212 1.00 0.00 C ATOM 982 C GLN A 82 5.280 14.578 1.788 1.00 0.00 C ATOM 983 O GLN A 82 6.007 15.455 1.304 1.00 0.00 O ATOM 984 CB GLN A 82 5.666 14.081 4.251 1.00 0.00 C ATOM 985 CG GLN A 82 7.097 14.636 4.319 1.00 0.00 C ATOM 986 CD GLN A 82 7.944 13.943 5.393 1.00 0.00 C ATOM 987 OE1 GLN A 82 8.631 12.956 5.127 1.00 0.00 O ATOM 988 NE2 GLN A 82 7.862 14.421 6.625 1.00 0.00 N ATOM 0 H GLN A 82 3.386 13.259 3.912 1.00 0.00 H new ATOM 0 HA GLN A 82 4.623 15.796 3.416 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.214 14.185 5.237 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.725 13.014 4.039 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.577 14.515 3.348 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.059 15.706 4.525 1.00 0.00 H new ATOM 0 HE21 GLN A 82 7.285 15.240 6.817 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.376 13.970 7.382 1.00 0.00 H new ATOM 997 N HIS A 83 4.927 13.470 1.103 1.00 0.00 N ATOM 998 CA HIS A 83 5.474 13.163 -0.231 1.00 0.00 C ATOM 999 C HIS A 83 4.542 13.656 -1.365 1.00 0.00 C ATOM 1000 O HIS A 83 4.641 13.196 -2.505 1.00 0.00 O ATOM 1001 CB HIS A 83 5.788 11.644 -0.357 1.00 0.00 C ATOM 1002 CG HIS A 83 6.877 11.349 -1.360 1.00 0.00 C ATOM 1003 ND1 HIS A 83 8.176 11.758 -1.170 1.00 0.00 N ATOM 1004 CD2 HIS A 83 6.847 10.774 -2.585 1.00 0.00 C ATOM 1005 CE1 HIS A 83 8.895 11.443 -2.220 1.00 0.00 C ATOM 1006 NE2 HIS A 83 8.114 10.842 -3.092 1.00 0.00 N ATOM 0 H HIS A 83 4.267 12.776 1.453 1.00 0.00 H new ATOM 0 HA HIS A 83 6.411 13.709 -0.342 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.085 11.258 0.618 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.881 11.114 -0.647 1.00 0.00 H new ATOM 0 HD1 HIS A 83 8.527 12.234 -0.339 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.984 10.343 -3.070 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.949 11.643 -2.348 1.00 0.00 H new ATOM 1015 N GLY A 84 3.641 14.599 -1.038 1.00 0.00 N ATOM 1016 CA GLY A 84 2.862 15.332 -2.049 1.00 0.00 C ATOM 1017 C GLY A 84 1.558 14.657 -2.452 1.00 0.00 C ATOM 1018 O GLY A 84 0.935 15.059 -3.440 1.00 0.00 O ATOM 0 H GLY A 84 3.434 14.872 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.638 16.327 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.478 15.464 -2.938 1.00 0.00 H new ATOM 1022 N ILE A 85 1.141 13.631 -1.695 1.00 0.00 N ATOM 1023 CA ILE A 85 -0.114 12.898 -1.957 1.00 0.00 C ATOM 1024 C ILE A 85 -1.253 13.576 -1.180 1.00 0.00 C ATOM 1025 O ILE A 85 -1.046 14.038 -0.050 1.00 0.00 O ATOM 1026 CB ILE A 85 0.019 11.386 -1.541 1.00 0.00 C ATOM 1027 CG1 ILE A 85 1.293 10.763 -2.203 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -1.256 10.577 -1.910 1.00 0.00 C ATOM 1029 CD1 ILE A 85 1.680 9.382 -1.711 1.00 0.00 C ATOM 0 H ILE A 85 1.659 13.285 -0.887 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.332 12.924 -3.025 1.00 0.00 H new ATOM 0 HB ILE A 85 0.125 11.337 -0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.133 10.713 -3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.133 11.437 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.128 9.538 -1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.118 11.001 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.418 10.624 -2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.575 9.046 -2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.880 9.420 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.864 8.685 -1.903 1.00 0.00 H new ATOM 1041 N HIS A 86 -2.445 13.638 -1.796 1.00 0.00 N ATOM 1042 CA HIS A 86 -3.615 14.329 -1.231 1.00 0.00 C ATOM 1043 C HIS A 86 -4.903 13.664 -1.767 1.00 0.00 C ATOM 1044 O HIS A 86 -4.825 12.689 -2.529 1.00 0.00 O ATOM 1045 CB HIS A 86 -3.545 15.853 -1.569 1.00 0.00 C ATOM 1046 CG HIS A 86 -4.115 16.751 -0.490 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -5.319 17.403 -0.590 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -3.621 17.087 0.722 1.00 0.00 C ATOM 1049 CE1 HIS A 86 -5.534 18.101 0.506 1.00 0.00 C ATOM 1050 NE2 HIS A 86 -4.522 17.925 1.319 1.00 0.00 N ATOM 0 H HIS A 86 -2.625 13.208 -2.704 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.622 14.242 -0.144 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.505 16.128 -1.744 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.084 16.033 -2.499 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -5.950 17.354 -1.390 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.684 16.754 1.143 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -6.400 18.716 0.702 1.00 0.00 H new ATOM 1059 N ASP A 87 -6.085 14.171 -1.344 1.00 0.00 N ATOM 1060 CA ASP A 87 -7.388 13.571 -1.713 1.00 0.00 C ATOM 1061 C ASP A 87 -7.616 13.619 -3.248 1.00 0.00 C ATOM 1062 O ASP A 87 -7.455 14.670 -3.881 1.00 0.00 O ATOM 1063 CB ASP A 87 -8.561 14.253 -0.948 1.00 0.00 C ATOM 1064 CG ASP A 87 -8.795 15.725 -1.340 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -7.983 16.578 -0.965 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -9.787 16.037 -2.034 1.00 0.00 O ATOM 0 H ASP A 87 -6.162 14.994 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.364 12.523 -1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.476 13.690 -1.130 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.362 14.200 0.122 1.00 0.00 H new ATOM 1071 N GLY A 88 -7.943 12.459 -3.842 1.00 0.00 N ATOM 1072 CA GLY A 88 -8.152 12.342 -5.290 1.00 0.00 C ATOM 1073 C GLY A 88 -6.921 11.853 -6.053 1.00 0.00 C ATOM 1074 O GLY A 88 -7.027 11.529 -7.237 1.00 0.00 O ATOM 0 H GLY A 88 -8.069 11.584 -3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.979 11.656 -5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.450 13.313 -5.684 1.00 0.00 H new ATOM 1078 N LEU A 89 -5.750 11.801 -5.378 1.00 0.00 N ATOM 1079 CA LEU A 89 -4.485 11.330 -5.992 1.00 0.00 C ATOM 1080 C LEU A 89 -4.311 9.817 -5.791 1.00 0.00 C ATOM 1081 O LEU A 89 -4.955 9.216 -4.925 1.00 0.00 O ATOM 1082 CB LEU A 89 -3.262 12.098 -5.411 1.00 0.00 C ATOM 1083 CG LEU A 89 -3.233 13.638 -5.684 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -1.941 14.279 -5.127 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -3.389 13.941 -7.195 1.00 0.00 C ATOM 0 H LEU A 89 -5.654 12.081 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.538 11.533 -7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.235 11.939 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.353 11.658 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.081 14.081 -5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.949 15.350 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.888 14.115 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.074 13.824 -5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.365 15.019 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.572 13.475 -7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.340 13.543 -7.550 1.00 0.00 H new ATOM 1097 N THR A 90 -3.412 9.226 -6.600 1.00 0.00 N ATOM 1098 CA THR A 90 -3.144 7.777 -6.625 1.00 0.00 C ATOM 1099 C THR A 90 -1.701 7.495 -6.164 1.00 0.00 C ATOM 1100 O THR A 90 -0.827 8.359 -6.280 1.00 0.00 O ATOM 1101 CB THR A 90 -3.372 7.204 -8.070 1.00 0.00 C ATOM 1102 OG1 THR A 90 -4.638 7.663 -8.565 1.00 0.00 O ATOM 1103 CG2 THR A 90 -3.350 5.656 -8.107 1.00 0.00 C ATOM 0 H THR A 90 -2.843 9.750 -7.265 1.00 0.00 H new ATOM 0 HA THR A 90 -3.835 7.284 -5.941 1.00 0.00 H new ATOM 0 HB THR A 90 -2.553 7.561 -8.694 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.784 7.309 -9.467 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.512 5.314 -9.129 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.383 5.297 -7.754 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.139 5.265 -7.464 1.00 0.00 H new ATOM 1111 N VAL A 91 -1.475 6.285 -5.617 1.00 0.00 N ATOM 1112 CA VAL A 91 -0.145 5.770 -5.239 1.00 0.00 C ATOM 1113 C VAL A 91 0.048 4.407 -5.914 1.00 0.00 C ATOM 1114 O VAL A 91 -0.918 3.655 -6.071 1.00 0.00 O ATOM 1115 CB VAL A 91 0.001 5.592 -3.677 1.00 0.00 C ATOM 1116 CG1 VAL A 91 1.467 5.320 -3.259 1.00 0.00 C ATOM 1117 CG2 VAL A 91 -0.560 6.808 -2.925 1.00 0.00 C ATOM 0 H VAL A 91 -2.228 5.625 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 91 0.608 6.489 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.586 4.716 -3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.521 5.204 -2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.819 4.407 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.094 6.157 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.446 6.657 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.016 7.704 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.617 6.928 -3.164 1.00 0.00 H new ATOM 1127 N HIS A 92 1.280 4.088 -6.311 1.00 0.00 N ATOM 1128 CA HIS A 92 1.602 2.769 -6.902 1.00 0.00 C ATOM 1129 C HIS A 92 1.902 1.761 -5.780 1.00 0.00 C ATOM 1130 O HIS A 92 2.565 2.100 -4.803 1.00 0.00 O ATOM 1131 CB HIS A 92 2.811 2.874 -7.863 1.00 0.00 C ATOM 1132 CG HIS A 92 2.543 3.690 -9.101 1.00 0.00 C ATOM 1133 ND1 HIS A 92 2.111 3.137 -10.290 1.00 0.00 N ATOM 1134 CD2 HIS A 92 2.647 5.017 -9.332 1.00 0.00 C ATOM 1135 CE1 HIS A 92 1.964 4.086 -11.185 1.00 0.00 C ATOM 1136 NE2 HIS A 92 2.280 5.235 -10.632 1.00 0.00 N ATOM 0 H HIS A 92 2.078 4.719 -6.238 1.00 0.00 H new ATOM 0 HA HIS A 92 0.742 2.426 -7.477 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.651 3.314 -7.326 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.113 1.870 -8.161 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.962 5.767 -8.622 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.638 3.946 -12.205 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.256 6.143 -11.097 1.00 0.00 H new ATOM 1145 N LEU A 93 1.382 0.530 -5.906 1.00 0.00 N ATOM 1146 CA LEU A 93 1.662 -0.560 -4.955 1.00 0.00 C ATOM 1147 C LEU A 93 2.177 -1.785 -5.699 1.00 0.00 C ATOM 1148 O LEU A 93 1.618 -2.177 -6.732 1.00 0.00 O ATOM 1149 CB LEU A 93 0.397 -0.958 -4.168 1.00 0.00 C ATOM 1150 CG LEU A 93 0.577 -2.139 -3.158 1.00 0.00 C ATOM 1151 CD1 LEU A 93 1.501 -1.757 -1.979 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -0.779 -2.652 -2.665 1.00 0.00 C ATOM 0 H LEU A 93 0.758 0.262 -6.667 1.00 0.00 H new ATOM 0 HA LEU A 93 2.416 -0.198 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.041 -0.085 -3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.383 -1.227 -4.880 1.00 0.00 H new ATOM 0 HG LEU A 93 1.068 -2.952 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.598 -2.606 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.484 -1.484 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.073 -0.911 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.625 -3.473 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.314 -1.844 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.365 -3.005 -3.514 1.00 0.00 H new ATOM 1164 N VAL A 94 3.219 -2.399 -5.144 1.00 0.00 N ATOM 1165 CA VAL A 94 3.788 -3.653 -5.645 1.00 0.00 C ATOM 1166 C VAL A 94 3.759 -4.683 -4.510 1.00 0.00 C ATOM 1167 O VAL A 94 4.448 -4.516 -3.498 1.00 0.00 O ATOM 1168 CB VAL A 94 5.264 -3.450 -6.178 1.00 0.00 C ATOM 1169 CG1 VAL A 94 5.888 -4.775 -6.678 1.00 0.00 C ATOM 1170 CG2 VAL A 94 5.313 -2.377 -7.298 1.00 0.00 C ATOM 0 H VAL A 94 3.701 -2.036 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 94 3.194 -4.006 -6.488 1.00 0.00 H new ATOM 0 HB VAL A 94 5.858 -3.100 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.901 -4.588 -7.035 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.918 -5.495 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.285 -5.177 -7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.340 -2.259 -7.644 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.683 -2.691 -8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.951 -1.426 -6.907 1.00 0.00 H new ATOM 1180 N ILE A 95 2.899 -5.710 -4.659 1.00 0.00 N ATOM 1181 CA ILE A 95 2.830 -6.838 -3.721 1.00 0.00 C ATOM 1182 C ILE A 95 3.569 -8.022 -4.345 1.00 0.00 C ATOM 1183 O ILE A 95 3.380 -8.307 -5.530 1.00 0.00 O ATOM 1184 CB ILE A 95 1.354 -7.285 -3.404 1.00 0.00 C ATOM 1185 CG1 ILE A 95 0.439 -6.064 -3.085 1.00 0.00 C ATOM 1186 CG2 ILE A 95 1.340 -8.295 -2.233 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -1.006 -6.422 -2.747 1.00 0.00 C ATOM 0 H ILE A 95 2.237 -5.777 -5.432 1.00 0.00 H new ATOM 0 HA ILE A 95 3.282 -6.516 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 95 0.954 -7.770 -4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.868 -5.514 -2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.441 -5.391 -3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.313 -8.596 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.928 -9.173 -2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.769 -7.829 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.568 -5.511 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.459 -6.943 -3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.025 -7.068 -1.869 1.00 0.00 H new ATOM 1199 N LYS A 96 4.393 -8.711 -3.557 1.00 0.00 N ATOM 1200 CA LYS A 96 5.115 -9.905 -4.020 1.00 0.00 C ATOM 1201 C LYS A 96 4.355 -11.158 -3.516 1.00 0.00 C ATOM 1202 O LYS A 96 4.805 -11.853 -2.600 1.00 0.00 O ATOM 1203 CB LYS A 96 6.603 -9.842 -3.523 1.00 0.00 C ATOM 1204 CG LYS A 96 7.670 -10.427 -4.495 1.00 0.00 C ATOM 1205 CD LYS A 96 7.561 -11.956 -4.741 1.00 0.00 C ATOM 1206 CE LYS A 96 7.800 -12.792 -3.467 1.00 0.00 C ATOM 1207 NZ LYS A 96 9.123 -12.531 -2.847 1.00 0.00 N ATOM 0 H LYS A 96 4.581 -8.463 -2.586 1.00 0.00 H new ATOM 0 HA LYS A 96 5.153 -9.955 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.855 -8.801 -3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.672 -10.375 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.589 -9.913 -5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.661 -10.207 -4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.572 -12.185 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.285 -12.248 -5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.015 -12.574 -2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.722 -13.851 -3.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.279 -13.201 -2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.870 -12.650 -3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.148 -11.559 -2.478 1.00 0.00 H new