USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 711 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 49 LYS NZ :NH3+ -107:sc= -0.53 (180deg=0) USER MOD Set 1.2: A 54 LYS NZ :NH3+ -174:sc= -0.406 (180deg=0) USER MOD Set 2.1: A 41 THR OG1 : rot -81:sc= -0.631 USER MOD Set 2.2: A 48 GLN : amide:sc= -1.66 K(o=-4.6,f=-5.6!) USER MOD Set 2.3: A 79 MET CE :methyl -151:sc= -2.27 (180deg=-4.56!) USER MOD Set 3.1: A 17 GLN : amide:sc= 0 X(o=1.5,f=1) USER MOD Set 3.2: A 19 TYR OH : rot 63:sc= 1.45 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -149:sc= -2.22! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0947 K(o=-0.095,f=-2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0485) USER MOD Single : A 62 ASN : amide:sc= -1.29 K(o=-1.3,f=-4.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -4.71! C(o=-4.7!,f=-6!) USER MOD Single : A 75 THR OG1 : rot -171:sc= -1.64 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 85 SER OG : rot -7:sc= 0.869 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.837 1.053 5.847 1.00 0.00 N ATOM 2 CA GLY A 1 20.742 2.330 6.533 1.00 0.00 C ATOM 3 C GLY A 1 21.044 3.488 5.580 1.00 0.00 C ATOM 4 O GLY A 1 20.362 3.661 4.571 1.00 0.00 O ATOM 0 H1 GLY A 1 20.628 0.284 6.515 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.153 1.028 5.064 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.799 0.932 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.742 2.449 6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.441 2.351 7.369 1.00 0.00 H new ATOM 8 N SER A 2 22.068 4.252 5.933 1.00 0.00 N ATOM 9 CA SER A 2 22.469 5.388 5.122 1.00 0.00 C ATOM 10 C SER A 2 21.293 6.352 4.954 1.00 0.00 C ATOM 11 O SER A 2 20.482 6.195 4.042 1.00 0.00 O ATOM 12 CB SER A 2 22.983 4.935 3.754 1.00 0.00 C ATOM 13 OG SER A 2 24.387 5.136 3.617 1.00 0.00 O ATOM 0 H SER A 2 22.632 4.106 6.770 1.00 0.00 H new ATOM 0 HA SER A 2 23.283 5.902 5.633 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.753 3.879 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.460 5.484 2.971 1.00 0.00 H new ATOM 0 HG SER A 2 24.676 4.833 2.731 1.00 0.00 H new ATOM 19 N SER A 3 21.238 7.329 5.848 1.00 0.00 N ATOM 20 CA SER A 3 20.174 8.318 5.810 1.00 0.00 C ATOM 21 C SER A 3 20.201 9.065 4.475 1.00 0.00 C ATOM 22 O SER A 3 21.271 9.322 3.924 1.00 0.00 O ATOM 23 CB SER A 3 20.299 9.305 6.972 1.00 0.00 C ATOM 24 OG SER A 3 19.520 8.906 8.097 1.00 0.00 O ATOM 0 H SER A 3 21.913 7.457 6.602 1.00 0.00 H new ATOM 0 HA SER A 3 19.221 7.799 5.909 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.345 9.388 7.266 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.981 10.294 6.643 1.00 0.00 H new ATOM 0 HG SER A 3 19.628 9.561 8.818 1.00 0.00 H new ATOM 30 N GLY A 4 19.011 9.392 3.992 1.00 0.00 N ATOM 31 CA GLY A 4 18.885 10.104 2.732 1.00 0.00 C ATOM 32 C GLY A 4 18.038 9.310 1.736 1.00 0.00 C ATOM 33 O GLY A 4 18.216 8.101 1.589 1.00 0.00 O ATOM 0 H GLY A 4 18.126 9.177 4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.430 11.079 2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.874 10.284 2.311 1.00 0.00 H new ATOM 37 N SER A 5 17.135 10.021 1.077 1.00 0.00 N ATOM 38 CA SER A 5 16.260 9.397 0.099 1.00 0.00 C ATOM 39 C SER A 5 15.540 10.471 -0.720 1.00 0.00 C ATOM 40 O SER A 5 15.549 11.645 -0.354 1.00 0.00 O ATOM 41 CB SER A 5 15.243 8.477 0.777 1.00 0.00 C ATOM 42 OG SER A 5 15.334 7.137 0.300 1.00 0.00 O ATOM 0 H SER A 5 16.990 11.023 1.201 1.00 0.00 H new ATOM 0 HA SER A 5 16.872 8.789 -0.568 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.405 8.490 1.855 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.237 8.857 0.601 1.00 0.00 H new ATOM 0 HG SER A 5 14.670 6.581 0.758 1.00 0.00 H new ATOM 48 N SER A 6 14.934 10.030 -1.812 1.00 0.00 N ATOM 49 CA SER A 6 14.211 10.939 -2.686 1.00 0.00 C ATOM 50 C SER A 6 12.780 10.439 -2.892 1.00 0.00 C ATOM 51 O SER A 6 12.471 9.289 -2.587 1.00 0.00 O ATOM 52 CB SER A 6 14.920 11.089 -4.033 1.00 0.00 C ATOM 53 OG SER A 6 15.745 12.250 -4.077 1.00 0.00 O ATOM 0 H SER A 6 14.928 9.055 -2.112 1.00 0.00 H new ATOM 0 HA SER A 6 14.182 11.919 -2.211 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.529 10.205 -4.223 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.178 11.142 -4.829 1.00 0.00 H new ATOM 0 HG SER A 6 16.181 12.308 -4.953 1.00 0.00 H new ATOM 59 N GLY A 7 11.945 11.329 -3.408 1.00 0.00 N ATOM 60 CA GLY A 7 10.554 10.993 -3.658 1.00 0.00 C ATOM 61 C GLY A 7 9.828 10.654 -2.354 1.00 0.00 C ATOM 62 O GLY A 7 10.177 11.170 -1.293 1.00 0.00 O ATOM 0 H GLY A 7 12.205 12.283 -3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.057 11.830 -4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.498 10.145 -4.340 1.00 0.00 H new ATOM 66 N LEU A 8 8.832 9.789 -2.476 1.00 0.00 N ATOM 67 CA LEU A 8 8.055 9.376 -1.320 1.00 0.00 C ATOM 68 C LEU A 8 8.043 7.848 -1.239 1.00 0.00 C ATOM 69 O LEU A 8 7.250 7.193 -1.912 1.00 0.00 O ATOM 70 CB LEU A 8 6.658 10.000 -1.363 1.00 0.00 C ATOM 71 CG LEU A 8 5.841 9.904 -0.073 1.00 0.00 C ATOM 72 CD1 LEU A 8 4.607 10.806 -0.138 1.00 0.00 C ATOM 73 CD2 LEU A 8 5.474 8.451 0.237 1.00 0.00 C ATOM 0 H LEU A 8 8.545 9.363 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 8 8.515 9.741 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.760 11.052 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.093 9.523 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 8 6.459 10.262 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.044 10.719 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.920 11.841 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.977 10.501 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.894 8.411 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.882 8.042 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.384 7.863 0.356 1.00 0.00 H new ATOM 85 N PRO A 9 8.957 7.311 -0.386 1.00 0.00 N ATOM 86 CA PRO A 9 9.060 5.873 -0.208 1.00 0.00 C ATOM 87 C PRO A 9 7.904 5.342 0.642 1.00 0.00 C ATOM 88 O PRO A 9 7.461 6.005 1.578 1.00 0.00 O ATOM 89 CB PRO A 9 10.419 5.652 0.435 1.00 0.00 C ATOM 90 CG PRO A 9 10.829 6.996 1.016 1.00 0.00 C ATOM 91 CD PRO A 9 9.913 8.057 0.427 1.00 0.00 C ATOM 0 HA PRO A 9 8.985 5.327 -1.148 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.364 4.891 1.213 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.147 5.305 -0.299 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.748 6.983 2.103 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.870 7.214 0.776 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.409 8.624 1.210 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.472 8.773 -0.176 1.00 0.00 H new ATOM 99 N ILE A 10 7.447 4.151 0.285 1.00 0.00 N ATOM 100 CA ILE A 10 6.351 3.523 1.003 1.00 0.00 C ATOM 101 C ILE A 10 6.714 2.069 1.309 1.00 0.00 C ATOM 102 O ILE A 10 6.775 1.237 0.405 1.00 0.00 O ATOM 103 CB ILE A 10 5.042 3.679 0.226 1.00 0.00 C ATOM 104 CG1 ILE A 10 4.712 5.156 0.000 1.00 0.00 C ATOM 105 CG2 ILE A 10 3.900 2.936 0.921 1.00 0.00 C ATOM 106 CD1 ILE A 10 4.071 5.371 -1.373 1.00 0.00 C ATOM 0 H ILE A 10 7.816 3.604 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 10 6.189 4.020 1.960 1.00 0.00 H new ATOM 0 HB ILE A 10 5.171 3.224 -0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.035 5.504 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.622 5.752 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.981 3.063 0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.143 1.875 0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.761 3.339 1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.846 6.429 -1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.760 5.044 -2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.149 4.793 -1.439 1.00 0.00 H new ATOM 118 N ILE A 11 6.946 1.807 2.587 1.00 0.00 N ATOM 119 CA ILE A 11 7.302 0.467 3.024 1.00 0.00 C ATOM 120 C ILE A 11 6.025 -0.333 3.291 1.00 0.00 C ATOM 121 O ILE A 11 5.147 0.119 4.025 1.00 0.00 O ATOM 122 CB ILE A 11 8.251 0.529 4.222 1.00 0.00 C ATOM 123 CG1 ILE A 11 9.562 1.224 3.849 1.00 0.00 C ATOM 124 CG2 ILE A 11 8.488 -0.865 4.807 1.00 0.00 C ATOM 125 CD1 ILE A 11 10.399 1.523 5.094 1.00 0.00 C ATOM 0 H ILE A 11 6.894 2.500 3.334 1.00 0.00 H new ATOM 0 HA ILE A 11 7.849 -0.057 2.240 1.00 0.00 H new ATOM 0 HB ILE A 11 7.779 1.129 5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.131 0.592 3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.348 2.152 3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.166 -0.792 5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.539 -1.288 5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.928 -1.509 4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.325 2.017 4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.837 2.175 5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.633 0.591 5.608 1.00 0.00 H new ATOM 137 N VAL A 12 5.963 -1.507 2.681 1.00 0.00 N ATOM 138 CA VAL A 12 4.808 -2.375 2.844 1.00 0.00 C ATOM 139 C VAL A 12 5.218 -3.618 3.636 1.00 0.00 C ATOM 140 O VAL A 12 6.183 -4.294 3.282 1.00 0.00 O ATOM 141 CB VAL A 12 4.207 -2.708 1.477 1.00 0.00 C ATOM 142 CG1 VAL A 12 2.861 -3.420 1.629 1.00 0.00 C ATOM 143 CG2 VAL A 12 4.068 -1.449 0.618 1.00 0.00 C ATOM 0 H VAL A 12 6.693 -1.878 2.073 1.00 0.00 H new ATOM 0 HA VAL A 12 4.027 -1.870 3.413 1.00 0.00 H new ATOM 0 HB VAL A 12 4.890 -3.388 0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.455 -3.645 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.001 -4.347 2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.167 -2.775 2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.638 -1.713 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.416 -0.735 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.050 -1.001 0.468 1.00 0.00 H new ATOM 153 N LYS A 13 4.464 -3.882 4.693 1.00 0.00 N ATOM 154 CA LYS A 13 4.736 -5.033 5.538 1.00 0.00 C ATOM 155 C LYS A 13 3.749 -6.152 5.201 1.00 0.00 C ATOM 156 O LYS A 13 2.563 -6.053 5.511 1.00 0.00 O ATOM 157 CB LYS A 13 4.727 -4.628 7.013 1.00 0.00 C ATOM 158 CG LYS A 13 5.973 -5.149 7.732 1.00 0.00 C ATOM 159 CD LYS A 13 5.593 -5.916 9.001 1.00 0.00 C ATOM 160 CE LYS A 13 6.382 -5.404 10.208 1.00 0.00 C ATOM 161 NZ LYS A 13 5.518 -5.355 11.408 1.00 0.00 N ATOM 0 H LYS A 13 3.665 -3.319 4.984 1.00 0.00 H new ATOM 0 HA LYS A 13 5.736 -5.421 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.683 -3.542 7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.833 -5.021 7.496 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.537 -5.800 7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.625 -4.314 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.525 -5.809 9.189 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.787 -6.979 8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.237 -6.055 10.394 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.778 -4.411 9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.069 -5.005 12.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.716 -4.716 11.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.161 -6.309 11.618 1.00 0.00 H new ATOM 175 N TRP A 14 4.276 -7.193 4.572 1.00 0.00 N ATOM 176 CA TRP A 14 3.456 -8.330 4.190 1.00 0.00 C ATOM 177 C TRP A 14 3.868 -9.522 5.056 1.00 0.00 C ATOM 178 O TRP A 14 4.864 -10.184 4.773 1.00 0.00 O ATOM 179 CB TRP A 14 3.573 -8.612 2.691 1.00 0.00 C ATOM 180 CG TRP A 14 2.726 -9.792 2.211 1.00 0.00 C ATOM 181 CD1 TRP A 14 1.619 -10.295 2.773 1.00 0.00 C ATOM 182 CD2 TRP A 14 2.964 -10.602 1.040 1.00 0.00 C ATOM 183 NE1 TRP A 14 1.128 -11.365 2.054 1.00 0.00 N ATOM 184 CE2 TRP A 14 1.972 -11.558 0.966 1.00 0.00 C ATOM 185 CE3 TRP A 14 3.984 -10.528 0.076 1.00 0.00 C ATOM 186 CZ2 TRP A 14 1.902 -12.513 -0.055 1.00 0.00 C ATOM 187 CZ3 TRP A 14 3.901 -11.490 -0.938 1.00 0.00 C ATOM 188 CH2 TRP A 14 2.908 -12.459 -1.027 1.00 0.00 C ATOM 0 H TRP A 14 5.261 -7.272 4.318 1.00 0.00 H new ATOM 0 HA TRP A 14 2.401 -8.120 4.365 1.00 0.00 H new ATOM 0 HB2 TRP A 14 3.279 -7.719 2.140 1.00 0.00 H new ATOM 0 HB3 TRP A 14 4.618 -8.806 2.449 1.00 0.00 H new ATOM 0 HD1 TRP A 14 1.167 -9.911 3.676 1.00 0.00 H new ATOM 0 HE1 TRP A 14 0.298 -11.914 2.279 1.00 0.00 H new ATOM 0 HE3 TRP A 14 4.770 -9.788 0.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 1.115 -13.251 -0.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 4.662 -11.478 -1.705 1.00 0.00 H new ATOM 0 HH2 TRP A 14 2.913 -13.167 -1.843 1.00 0.00 H new ATOM 199 N GLY A 15 3.079 -9.758 6.095 1.00 0.00 N ATOM 200 CA GLY A 15 3.349 -10.858 7.004 1.00 0.00 C ATOM 201 C GLY A 15 4.721 -10.701 7.663 1.00 0.00 C ATOM 202 O GLY A 15 4.855 -10.009 8.671 1.00 0.00 O ATOM 0 H GLY A 15 2.253 -9.206 6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.576 -10.899 7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.309 -11.802 6.460 1.00 0.00 H new ATOM 206 N GLY A 16 5.707 -11.355 7.066 1.00 0.00 N ATOM 207 CA GLY A 16 7.064 -11.297 7.582 1.00 0.00 C ATOM 208 C GLY A 16 7.998 -10.598 6.591 1.00 0.00 C ATOM 209 O GLY A 16 9.132 -10.266 6.931 1.00 0.00 O ATOM 0 H GLY A 16 5.593 -11.928 6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.073 -10.765 8.533 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.426 -12.306 7.778 1.00 0.00 H new ATOM 213 N GLN A 17 7.486 -10.396 5.386 1.00 0.00 N ATOM 214 CA GLN A 17 8.259 -9.743 4.344 1.00 0.00 C ATOM 215 C GLN A 17 7.944 -8.246 4.308 1.00 0.00 C ATOM 216 O GLN A 17 6.894 -7.818 4.784 1.00 0.00 O ATOM 217 CB GLN A 17 8.001 -10.390 2.982 1.00 0.00 C ATOM 218 CG GLN A 17 9.110 -11.384 2.628 1.00 0.00 C ATOM 219 CD GLN A 17 9.182 -11.609 1.117 1.00 0.00 C ATOM 220 OE1 GLN A 17 8.186 -11.590 0.412 1.00 0.00 O ATOM 221 NE2 GLN A 17 10.413 -11.823 0.660 1.00 0.00 N ATOM 0 H GLN A 17 6.545 -10.673 5.108 1.00 0.00 H new ATOM 0 HA GLN A 17 9.317 -9.866 4.573 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.039 -10.902 2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.941 -9.618 2.214 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.068 -11.010 2.990 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.927 -12.333 3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.203 -11.826 1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.567 -11.984 -0.335 1.00 0.00 H new ATOM 230 N GLU A 18 8.873 -7.492 3.740 1.00 0.00 N ATOM 231 CA GLU A 18 8.708 -6.052 3.636 1.00 0.00 C ATOM 232 C GLU A 18 9.161 -5.564 2.259 1.00 0.00 C ATOM 233 O GLU A 18 10.203 -5.986 1.758 1.00 0.00 O ATOM 234 CB GLU A 18 9.467 -5.331 4.751 1.00 0.00 C ATOM 235 CG GLU A 18 8.843 -5.622 6.117 1.00 0.00 C ATOM 236 CD GLU A 18 9.919 -5.735 7.199 1.00 0.00 C ATOM 237 OE1 GLU A 18 10.866 -6.520 6.977 1.00 0.00 O ATOM 238 OE2 GLU A 18 9.770 -5.035 8.223 1.00 0.00 O ATOM 0 H GLU A 18 9.743 -7.851 3.347 1.00 0.00 H new ATOM 0 HA GLU A 18 7.650 -5.818 3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.510 -5.647 4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.459 -4.257 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.143 -4.828 6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.271 -6.549 6.070 1.00 0.00 H new ATOM 245 N TYR A 19 8.358 -4.680 1.685 1.00 0.00 N ATOM 246 CA TYR A 19 8.663 -4.130 0.375 1.00 0.00 C ATOM 247 C TYR A 19 8.891 -2.619 0.455 1.00 0.00 C ATOM 248 O TYR A 19 8.227 -1.928 1.226 1.00 0.00 O ATOM 249 CB TYR A 19 7.435 -4.404 -0.494 1.00 0.00 C ATOM 250 CG TYR A 19 7.180 -5.889 -0.762 1.00 0.00 C ATOM 251 CD1 TYR A 19 6.855 -6.731 0.282 1.00 0.00 C ATOM 252 CD2 TYR A 19 7.275 -6.385 -2.046 1.00 0.00 C ATOM 253 CE1 TYR A 19 6.614 -8.129 0.030 1.00 0.00 C ATOM 254 CE2 TYR A 19 7.035 -7.782 -2.297 1.00 0.00 C ATOM 255 CZ TYR A 19 6.716 -8.585 -1.247 1.00 0.00 C ATOM 256 OH TYR A 19 6.490 -9.905 -1.484 1.00 0.00 O ATOM 0 H TYR A 19 7.496 -4.331 2.104 1.00 0.00 H new ATOM 0 HA TYR A 19 9.569 -4.581 -0.029 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.557 -3.977 -0.009 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.555 -3.889 -1.447 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.781 -6.342 1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.529 -5.725 -2.862 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.358 -8.800 0.837 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.107 -8.183 -3.297 1.00 0.00 H new ATOM 0 HH TYR A 19 5.561 -10.123 -1.259 1.00 0.00 H new ATOM 266 N SER A 20 9.831 -2.151 -0.353 1.00 0.00 N ATOM 267 CA SER A 20 10.154 -0.735 -0.384 1.00 0.00 C ATOM 268 C SER A 20 9.644 -0.110 -1.684 1.00 0.00 C ATOM 269 O SER A 20 10.319 -0.165 -2.710 1.00 0.00 O ATOM 270 CB SER A 20 11.661 -0.511 -0.243 1.00 0.00 C ATOM 271 OG SER A 20 12.209 -1.239 0.853 1.00 0.00 O ATOM 0 H SER A 20 10.379 -2.728 -0.991 1.00 0.00 H new ATOM 0 HA SER A 20 9.662 -0.253 0.461 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.160 -0.812 -1.164 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.858 0.552 -0.107 1.00 0.00 H new ATOM 0 HG SER A 20 13.173 -1.071 0.908 1.00 0.00 H new ATOM 277 N VAL A 21 8.456 0.470 -1.597 1.00 0.00 N ATOM 278 CA VAL A 21 7.847 1.105 -2.754 1.00 0.00 C ATOM 279 C VAL A 21 8.499 2.471 -2.982 1.00 0.00 C ATOM 280 O VAL A 21 8.365 3.372 -2.156 1.00 0.00 O ATOM 281 CB VAL A 21 6.331 1.190 -2.567 1.00 0.00 C ATOM 282 CG1 VAL A 21 5.682 1.979 -3.706 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.715 -0.205 -2.445 1.00 0.00 C ATOM 0 H VAL A 21 7.899 0.514 -0.744 1.00 0.00 H new ATOM 0 HA VAL A 21 8.017 0.509 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 21 6.137 1.724 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.604 2.025 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.089 2.990 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.890 1.485 -4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.637 -0.116 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.924 -0.775 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.145 -0.719 -1.585 1.00 0.00 H new ATOM 293 N THR A 22 9.190 2.580 -4.108 1.00 0.00 N ATOM 294 CA THR A 22 9.862 3.820 -4.455 1.00 0.00 C ATOM 295 C THR A 22 9.914 3.991 -5.975 1.00 0.00 C ATOM 296 O THR A 22 10.897 4.498 -6.513 1.00 0.00 O ATOM 297 CB THR A 22 11.243 3.810 -3.798 1.00 0.00 C ATOM 298 OG1 THR A 22 11.849 2.614 -4.282 1.00 0.00 O ATOM 299 CG2 THR A 22 11.169 3.603 -2.283 1.00 0.00 C ATOM 0 H THR A 22 9.299 1.830 -4.791 1.00 0.00 H new ATOM 0 HA THR A 22 9.314 4.685 -4.080 1.00 0.00 H new ATOM 0 HB THR A 22 11.754 4.749 -4.012 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.750 2.529 -3.907 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.176 3.604 -1.866 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.589 4.409 -1.833 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.689 2.648 -2.069 1.00 0.00 H new ATOM 307 N THR A 23 8.843 3.558 -6.624 1.00 0.00 N ATOM 308 CA THR A 23 8.754 3.656 -8.071 1.00 0.00 C ATOM 309 C THR A 23 7.741 4.731 -8.471 1.00 0.00 C ATOM 310 O THR A 23 7.972 5.487 -9.413 1.00 0.00 O ATOM 311 CB THR A 23 8.417 2.268 -8.619 1.00 0.00 C ATOM 312 OG1 THR A 23 7.054 2.071 -8.251 1.00 0.00 O ATOM 313 CG2 THR A 23 9.166 1.152 -7.889 1.00 0.00 C ATOM 0 H THR A 23 8.029 3.138 -6.174 1.00 0.00 H new ATOM 0 HA THR A 23 9.703 3.971 -8.506 1.00 0.00 H new ATOM 0 HB THR A 23 8.656 2.230 -9.682 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.892 1.117 -8.094 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.890 0.188 -8.317 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.240 1.303 -7.997 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.902 1.168 -6.832 1.00 0.00 H new ATOM 321 N LEU A 24 6.640 4.764 -7.735 1.00 0.00 N ATOM 322 CA LEU A 24 5.591 5.733 -8.001 1.00 0.00 C ATOM 323 C LEU A 24 5.819 6.975 -7.138 1.00 0.00 C ATOM 324 O LEU A 24 6.607 6.943 -6.194 1.00 0.00 O ATOM 325 CB LEU A 24 4.213 5.096 -7.810 1.00 0.00 C ATOM 326 CG LEU A 24 4.063 4.170 -6.602 1.00 0.00 C ATOM 327 CD1 LEU A 24 2.641 4.226 -6.040 1.00 0.00 C ATOM 328 CD2 LEU A 24 4.486 2.741 -6.950 1.00 0.00 C ATOM 0 H LEU A 24 6.452 4.135 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 24 5.626 6.057 -9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.475 5.894 -7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.969 4.530 -8.709 1.00 0.00 H new ATOM 0 HG LEU A 24 4.733 4.522 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.562 3.558 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.413 5.245 -5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.934 3.914 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.370 2.103 -6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.861 2.363 -7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.529 2.737 -7.265 1.00 0.00 H new ATOM 340 N SER A 25 5.116 8.041 -7.494 1.00 0.00 N ATOM 341 CA SER A 25 5.232 9.292 -6.763 1.00 0.00 C ATOM 342 C SER A 25 3.841 9.852 -6.461 1.00 0.00 C ATOM 343 O SER A 25 2.833 9.263 -6.847 1.00 0.00 O ATOM 344 CB SER A 25 6.057 10.313 -7.549 1.00 0.00 C ATOM 345 OG SER A 25 5.375 10.768 -8.714 1.00 0.00 O ATOM 0 H SER A 25 4.465 8.064 -8.278 1.00 0.00 H new ATOM 0 HA SER A 25 5.748 9.094 -5.824 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.287 11.164 -6.908 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.008 9.865 -7.837 1.00 0.00 H new ATOM 0 HG SER A 25 5.934 11.419 -9.187 1.00 0.00 H new ATOM 351 N GLU A 26 3.831 10.985 -5.774 1.00 0.00 N ATOM 352 CA GLU A 26 2.581 11.632 -5.415 1.00 0.00 C ATOM 353 C GLU A 26 1.606 11.593 -6.594 1.00 0.00 C ATOM 354 O GLU A 26 0.441 11.235 -6.430 1.00 0.00 O ATOM 355 CB GLU A 26 2.821 13.069 -4.949 1.00 0.00 C ATOM 356 CG GLU A 26 3.568 13.095 -3.614 1.00 0.00 C ATOM 357 CD GLU A 26 3.555 14.499 -3.005 1.00 0.00 C ATOM 358 OE1 GLU A 26 4.033 15.422 -3.698 1.00 0.00 O ATOM 359 OE2 GLU A 26 3.066 14.616 -1.861 1.00 0.00 O ATOM 0 H GLU A 26 4.669 11.471 -5.456 1.00 0.00 H new ATOM 0 HA GLU A 26 2.137 11.085 -4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.396 13.608 -5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.867 13.586 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.107 12.390 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.597 12.769 -3.763 1.00 0.00 H new ATOM 366 N ASP A 27 2.119 11.968 -7.757 1.00 0.00 N ATOM 367 CA ASP A 27 1.309 11.981 -8.963 1.00 0.00 C ATOM 368 C ASP A 27 0.436 10.725 -8.999 1.00 0.00 C ATOM 369 O ASP A 27 -0.788 10.818 -9.083 1.00 0.00 O ATOM 370 CB ASP A 27 2.187 11.983 -10.216 1.00 0.00 C ATOM 371 CG ASP A 27 2.519 13.369 -10.772 1.00 0.00 C ATOM 372 OD1 ASP A 27 2.711 14.282 -9.940 1.00 0.00 O ATOM 373 OD2 ASP A 27 2.573 13.484 -12.015 1.00 0.00 O ATOM 0 H ASP A 27 3.086 12.265 -7.889 1.00 0.00 H new ATOM 0 HA ASP A 27 0.698 12.884 -8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.120 11.467 -9.988 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.685 11.407 -10.994 1.00 0.00 H new ATOM 378 N ASP A 28 1.099 9.580 -8.934 1.00 0.00 N ATOM 379 CA ASP A 28 0.398 8.307 -8.958 1.00 0.00 C ATOM 380 C ASP A 28 -0.613 8.265 -7.810 1.00 0.00 C ATOM 381 O ASP A 28 -0.345 8.773 -6.723 1.00 0.00 O ATOM 382 CB ASP A 28 1.370 7.140 -8.775 1.00 0.00 C ATOM 383 CG ASP A 28 2.167 6.760 -10.024 1.00 0.00 C ATOM 384 OD1 ASP A 28 2.915 7.636 -10.509 1.00 0.00 O ATOM 385 OD2 ASP A 28 2.010 5.601 -10.466 1.00 0.00 O ATOM 0 H ASP A 28 2.114 9.507 -8.865 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.100 8.214 -9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.070 7.392 -7.978 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.808 6.268 -8.442 1.00 0.00 H new ATOM 390 N THR A 29 -1.755 7.655 -8.093 1.00 0.00 N ATOM 391 CA THR A 29 -2.808 7.540 -7.098 1.00 0.00 C ATOM 392 C THR A 29 -2.655 6.239 -6.308 1.00 0.00 C ATOM 393 O THR A 29 -1.766 5.437 -6.591 1.00 0.00 O ATOM 394 CB THR A 29 -4.153 7.660 -7.817 1.00 0.00 C ATOM 395 OG1 THR A 29 -4.339 6.383 -8.421 1.00 0.00 O ATOM 396 CG2 THR A 29 -4.100 8.628 -9.001 1.00 0.00 C ATOM 0 H THR A 29 -1.974 7.235 -8.997 1.00 0.00 H new ATOM 0 HA THR A 29 -2.745 8.340 -6.361 1.00 0.00 H new ATOM 0 HB THR A 29 -4.914 7.992 -7.110 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.190 6.372 -8.907 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.080 8.676 -9.476 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.819 9.620 -8.648 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.363 8.278 -9.724 1.00 0.00 H new ATOM 404 N VAL A 30 -3.535 6.070 -5.332 1.00 0.00 N ATOM 405 CA VAL A 30 -3.509 4.880 -4.499 1.00 0.00 C ATOM 406 C VAL A 30 -3.647 3.639 -5.384 1.00 0.00 C ATOM 407 O VAL A 30 -2.959 2.642 -5.173 1.00 0.00 O ATOM 408 CB VAL A 30 -4.594 4.970 -3.424 1.00 0.00 C ATOM 409 CG1 VAL A 30 -4.724 3.648 -2.664 1.00 0.00 C ATOM 410 CG2 VAL A 30 -4.321 6.130 -2.465 1.00 0.00 C ATOM 0 H VAL A 30 -4.270 6.737 -5.100 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.556 4.802 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.544 5.164 -3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.502 3.739 -1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.988 2.852 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.775 3.410 -2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.107 6.171 -1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.358 5.980 -1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.303 7.066 -3.022 1.00 0.00 H new ATOM 420 N LEU A 31 -4.540 3.742 -6.358 1.00 0.00 N ATOM 421 CA LEU A 31 -4.776 2.641 -7.276 1.00 0.00 C ATOM 422 C LEU A 31 -3.439 2.161 -7.844 1.00 0.00 C ATOM 423 O LEU A 31 -3.131 0.971 -7.795 1.00 0.00 O ATOM 424 CB LEU A 31 -5.790 3.046 -8.348 1.00 0.00 C ATOM 425 CG LEU A 31 -6.220 1.942 -9.316 1.00 0.00 C ATOM 426 CD1 LEU A 31 -7.293 1.051 -8.688 1.00 0.00 C ATOM 427 CD2 LEU A 31 -6.673 2.530 -10.653 1.00 0.00 C ATOM 0 H LEU A 31 -5.108 4.571 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.222 1.796 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.680 3.433 -7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.367 3.866 -8.928 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.355 1.310 -9.520 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.581 0.274 -9.396 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.898 0.589 -7.783 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.165 1.654 -8.436 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.973 1.724 -11.322 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.518 3.199 -10.489 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.851 3.087 -11.102 1.00 0.00 H new ATOM 439 N ASP A 32 -2.680 3.111 -8.371 1.00 0.00 N ATOM 440 CA ASP A 32 -1.383 2.800 -8.947 1.00 0.00 C ATOM 441 C ASP A 32 -0.603 1.904 -7.983 1.00 0.00 C ATOM 442 O ASP A 32 -0.124 0.839 -8.370 1.00 0.00 O ATOM 443 CB ASP A 32 -0.564 4.071 -9.179 1.00 0.00 C ATOM 444 CG ASP A 32 -1.024 4.931 -10.357 1.00 0.00 C ATOM 445 OD1 ASP A 32 -1.873 4.432 -11.127 1.00 0.00 O ATOM 446 OD2 ASP A 32 -0.517 6.069 -10.462 1.00 0.00 O ATOM 0 H ASP A 32 -2.939 4.097 -8.411 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.549 2.299 -9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.596 4.676 -8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.477 3.790 -9.338 1.00 0.00 H new ATOM 451 N LEU A 33 -0.500 2.368 -6.747 1.00 0.00 N ATOM 452 CA LEU A 33 0.214 1.621 -5.724 1.00 0.00 C ATOM 453 C LEU A 33 -0.334 0.194 -5.665 1.00 0.00 C ATOM 454 O LEU A 33 0.410 -0.768 -5.846 1.00 0.00 O ATOM 455 CB LEU A 33 0.156 2.358 -4.385 1.00 0.00 C ATOM 456 CG LEU A 33 1.072 1.820 -3.283 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.384 2.605 -3.229 1.00 0.00 C ATOM 458 CD2 LEU A 33 0.355 1.807 -1.932 1.00 0.00 C ATOM 0 H LEU A 33 -0.899 3.252 -6.430 1.00 0.00 H new ATOM 0 HA LEU A 33 1.272 1.546 -5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.405 3.405 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.871 2.330 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 33 1.325 0.787 -3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.016 2.203 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.900 2.518 -4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.172 3.655 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.028 1.420 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.053 2.821 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.527 1.170 -1.995 1.00 0.00 H new ATOM 470 N LYS A 34 -1.631 0.102 -5.412 1.00 0.00 N ATOM 471 CA LYS A 34 -2.287 -1.192 -5.326 1.00 0.00 C ATOM 472 C LYS A 34 -1.948 -2.014 -6.572 1.00 0.00 C ATOM 473 O LYS A 34 -1.344 -3.080 -6.470 1.00 0.00 O ATOM 474 CB LYS A 34 -3.789 -1.017 -5.096 1.00 0.00 C ATOM 475 CG LYS A 34 -4.061 -0.316 -3.763 1.00 0.00 C ATOM 476 CD LYS A 34 -5.528 0.108 -3.656 1.00 0.00 C ATOM 477 CE LYS A 34 -6.010 0.050 -2.205 1.00 0.00 C ATOM 478 NZ LYS A 34 -7.489 0.020 -2.151 1.00 0.00 N ATOM 0 H LYS A 34 -2.246 0.902 -5.264 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.919 -1.749 -4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.220 -0.436 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.278 -1.991 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.811 -0.984 -2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.418 0.559 -3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.647 1.120 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.145 -0.544 -4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.604 -0.836 -1.716 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.638 0.916 -1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.799 -0.019 -1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.870 0.877 -2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.838 -0.819 -2.656 1.00 0.00 H new ATOM 492 N GLN A 35 -2.352 -1.486 -7.718 1.00 0.00 N ATOM 493 CA GLN A 35 -2.098 -2.157 -8.981 1.00 0.00 C ATOM 494 C GLN A 35 -0.665 -2.691 -9.020 1.00 0.00 C ATOM 495 O GLN A 35 -0.420 -3.786 -9.526 1.00 0.00 O ATOM 496 CB GLN A 35 -2.368 -1.223 -10.162 1.00 0.00 C ATOM 497 CG GLN A 35 -3.860 -1.180 -10.498 1.00 0.00 C ATOM 498 CD GLN A 35 -4.083 -0.754 -11.950 1.00 0.00 C ATOM 499 OE1 GLN A 35 -3.212 -0.863 -12.797 1.00 0.00 O ATOM 500 NE2 GLN A 35 -5.296 -0.264 -12.190 1.00 0.00 N ATOM 0 H GLN A 35 -2.853 -0.601 -7.798 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.782 -3.002 -9.065 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.016 -0.219 -9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.805 -1.560 -11.033 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.302 -2.162 -10.331 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.367 -0.484 -9.829 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.979 -0.200 -11.435 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.543 0.048 -13.129 1.00 0.00 H new ATOM 509 N PHE A 36 0.245 -1.893 -8.480 1.00 0.00 N ATOM 510 CA PHE A 36 1.647 -2.272 -8.447 1.00 0.00 C ATOM 511 C PHE A 36 1.910 -3.308 -7.353 1.00 0.00 C ATOM 512 O PHE A 36 2.685 -4.242 -7.550 1.00 0.00 O ATOM 513 CB PHE A 36 2.445 -1.004 -8.136 1.00 0.00 C ATOM 514 CG PHE A 36 3.947 -1.134 -8.400 1.00 0.00 C ATOM 515 CD1 PHE A 36 4.389 -1.580 -9.607 1.00 0.00 C ATOM 516 CD2 PHE A 36 4.840 -0.802 -7.429 1.00 0.00 C ATOM 517 CE1 PHE A 36 5.782 -1.700 -9.852 1.00 0.00 C ATOM 518 CE2 PHE A 36 6.233 -0.922 -7.675 1.00 0.00 C ATOM 519 CZ PHE A 36 6.675 -1.369 -8.881 1.00 0.00 C ATOM 0 H PHE A 36 0.038 -0.986 -8.062 1.00 0.00 H new ATOM 0 HA PHE A 36 1.936 -2.711 -9.402 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.051 -0.183 -8.735 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.292 -0.738 -7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.680 -1.843 -10.378 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.489 -0.447 -6.471 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.133 -2.054 -10.810 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.942 -0.658 -6.904 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.735 -1.461 -9.068 1.00 0.00 H new ATOM 529 N LEU A 37 1.249 -3.107 -6.222 1.00 0.00 N ATOM 530 CA LEU A 37 1.401 -4.013 -5.095 1.00 0.00 C ATOM 531 C LEU A 37 0.877 -5.396 -5.484 1.00 0.00 C ATOM 532 O LEU A 37 1.198 -6.391 -4.835 1.00 0.00 O ATOM 533 CB LEU A 37 0.735 -3.431 -3.847 1.00 0.00 C ATOM 534 CG LEU A 37 1.347 -2.140 -3.300 1.00 0.00 C ATOM 535 CD1 LEU A 37 0.277 -1.255 -2.658 1.00 0.00 C ATOM 536 CD2 LEU A 37 2.495 -2.443 -2.334 1.00 0.00 C ATOM 0 H LEU A 37 0.607 -2.331 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 37 2.454 -4.131 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.315 -3.244 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.762 -4.185 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 37 1.768 -1.581 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.739 -0.344 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.476 -0.996 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.195 -1.793 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.912 -1.508 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.121 -3.034 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.271 -3.004 -2.855 1.00 0.00 H new ATOM 548 N LYS A 38 0.078 -5.416 -6.541 1.00 0.00 N ATOM 549 CA LYS A 38 -0.494 -6.661 -7.024 1.00 0.00 C ATOM 550 C LYS A 38 0.602 -7.496 -7.692 1.00 0.00 C ATOM 551 O LYS A 38 0.526 -8.723 -7.712 1.00 0.00 O ATOM 552 CB LYS A 38 -1.694 -6.383 -7.932 1.00 0.00 C ATOM 553 CG LYS A 38 -2.214 -7.676 -8.565 1.00 0.00 C ATOM 554 CD LYS A 38 -3.552 -7.442 -9.268 1.00 0.00 C ATOM 555 CE LYS A 38 -3.448 -7.755 -10.762 1.00 0.00 C ATOM 556 NZ LYS A 38 -2.883 -6.601 -11.496 1.00 0.00 N ATOM 0 H LYS A 38 -0.187 -4.589 -7.077 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.882 -7.249 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.489 -5.911 -7.355 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.407 -5.680 -8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.484 -8.054 -9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.332 -8.440 -7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.320 -8.068 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.863 -6.406 -9.130 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.819 -8.632 -10.913 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.434 -7.998 -11.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.819 -6.831 -12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.498 -5.773 -11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.934 -6.387 -11.129 1.00 0.00 H new ATOM 570 N THR A 39 1.594 -6.796 -8.221 1.00 0.00 N ATOM 571 CA THR A 39 2.703 -7.457 -8.888 1.00 0.00 C ATOM 572 C THR A 39 3.872 -7.645 -7.919 1.00 0.00 C ATOM 573 O THR A 39 4.634 -8.604 -8.038 1.00 0.00 O ATOM 574 CB THR A 39 3.068 -6.636 -10.127 1.00 0.00 C ATOM 575 OG1 THR A 39 3.395 -7.615 -11.108 1.00 0.00 O ATOM 576 CG2 THR A 39 4.364 -5.844 -9.944 1.00 0.00 C ATOM 0 H THR A 39 1.653 -5.778 -8.202 1.00 0.00 H new ATOM 0 HA THR A 39 2.427 -8.460 -9.214 1.00 0.00 H new ATOM 0 HB THR A 39 2.254 -5.950 -10.360 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.642 -7.169 -11.945 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.577 -5.279 -10.852 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.255 -5.156 -9.106 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.186 -6.532 -9.744 1.00 0.00 H new ATOM 584 N LEU A 40 3.977 -6.715 -6.981 1.00 0.00 N ATOM 585 CA LEU A 40 5.040 -6.767 -5.991 1.00 0.00 C ATOM 586 C LEU A 40 4.903 -8.049 -5.168 1.00 0.00 C ATOM 587 O LEU A 40 5.829 -8.856 -5.110 1.00 0.00 O ATOM 588 CB LEU A 40 5.047 -5.491 -5.146 1.00 0.00 C ATOM 589 CG LEU A 40 5.516 -4.219 -5.855 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.148 -2.973 -5.048 1.00 0.00 C ATOM 591 CD2 LEU A 40 7.014 -4.282 -6.160 1.00 0.00 C ATOM 0 H LEU A 40 3.344 -5.921 -6.885 1.00 0.00 H new ATOM 0 HA LEU A 40 6.014 -6.804 -6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.038 -5.322 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.687 -5.657 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 40 4.995 -4.149 -6.810 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.493 -2.083 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.066 -2.925 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.622 -3.021 -4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.322 -3.366 -6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.571 -4.388 -5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.218 -5.137 -6.805 1.00 0.00 H new ATOM 603 N THR A 41 3.739 -8.197 -4.552 1.00 0.00 N ATOM 604 CA THR A 41 3.469 -9.368 -3.735 1.00 0.00 C ATOM 605 C THR A 41 2.894 -10.496 -4.593 1.00 0.00 C ATOM 606 O THR A 41 3.402 -11.616 -4.574 1.00 0.00 O ATOM 607 CB THR A 41 2.546 -8.943 -2.591 1.00 0.00 C ATOM 608 OG1 THR A 41 1.569 -8.118 -3.221 1.00 0.00 O ATOM 609 CG2 THR A 41 3.237 -8.008 -1.596 1.00 0.00 C ATOM 0 H THR A 41 2.973 -7.526 -4.602 1.00 0.00 H new ATOM 0 HA THR A 41 4.386 -9.768 -3.301 1.00 0.00 H new ATOM 0 HB THR A 41 2.187 -9.829 -2.067 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.932 -7.216 -3.344 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.538 -7.737 -0.805 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.099 -8.513 -1.161 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.567 -7.107 -2.113 1.00 0.00 H new ATOM 617 N GLY A 42 1.841 -10.162 -5.325 1.00 0.00 N ATOM 618 CA GLY A 42 1.191 -11.133 -6.188 1.00 0.00 C ATOM 619 C GLY A 42 -0.232 -11.426 -5.709 1.00 0.00 C ATOM 620 O GLY A 42 -0.778 -12.492 -5.991 1.00 0.00 O ATOM 0 H GLY A 42 1.422 -9.232 -5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.164 -10.756 -7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.770 -12.056 -6.204 1.00 0.00 H new ATOM 624 N VAL A 43 -0.792 -10.462 -4.994 1.00 0.00 N ATOM 625 CA VAL A 43 -2.141 -10.604 -4.473 1.00 0.00 C ATOM 626 C VAL A 43 -3.023 -9.490 -5.043 1.00 0.00 C ATOM 627 O VAL A 43 -2.560 -8.368 -5.242 1.00 0.00 O ATOM 628 CB VAL A 43 -2.113 -10.620 -2.943 1.00 0.00 C ATOM 629 CG1 VAL A 43 -3.530 -10.589 -2.368 1.00 0.00 C ATOM 630 CG2 VAL A 43 -1.336 -11.831 -2.422 1.00 0.00 C ATOM 0 H VAL A 43 -0.336 -9.579 -4.763 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.573 -11.554 -4.787 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.596 -9.721 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.481 -10.601 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.037 -9.682 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.083 -11.461 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.331 -11.819 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.812 -12.747 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.311 -11.791 -2.790 1.00 0.00 H new ATOM 640 N LEU A 44 -4.277 -9.839 -5.288 1.00 0.00 N ATOM 641 CA LEU A 44 -5.227 -8.883 -5.831 1.00 0.00 C ATOM 642 C LEU A 44 -5.264 -7.643 -4.936 1.00 0.00 C ATOM 643 O LEU A 44 -4.946 -7.719 -3.750 1.00 0.00 O ATOM 644 CB LEU A 44 -6.595 -9.540 -6.027 1.00 0.00 C ATOM 645 CG LEU A 44 -6.627 -10.760 -6.950 1.00 0.00 C ATOM 646 CD1 LEU A 44 -8.027 -11.375 -6.997 1.00 0.00 C ATOM 647 CD2 LEU A 44 -6.110 -10.405 -8.345 1.00 0.00 C ATOM 0 H LEU A 44 -4.657 -10.770 -5.121 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.912 -8.553 -6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.976 -9.838 -5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.282 -8.792 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.957 -11.516 -6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.022 -12.240 -7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.321 -11.687 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.737 -10.636 -7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.143 -11.289 -8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.735 -9.624 -8.777 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.082 -10.049 -8.272 1.00 0.00 H new ATOM 659 N PRO A 45 -5.664 -6.500 -5.554 1.00 0.00 N ATOM 660 CA PRO A 45 -5.746 -5.245 -4.827 1.00 0.00 C ATOM 661 C PRO A 45 -6.972 -5.220 -3.912 1.00 0.00 C ATOM 662 O PRO A 45 -6.912 -4.694 -2.802 1.00 0.00 O ATOM 663 CB PRO A 45 -5.784 -4.169 -5.900 1.00 0.00 C ATOM 664 CG PRO A 45 -6.190 -4.876 -7.183 1.00 0.00 C ATOM 665 CD PRO A 45 -6.048 -6.372 -6.957 1.00 0.00 C ATOM 0 HA PRO A 45 -4.899 -5.091 -4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.497 -3.386 -5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.811 -3.691 -6.009 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.217 -4.626 -7.448 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.560 -4.554 -8.012 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.983 -6.894 -7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.293 -6.802 -7.615 1.00 0.00 H new ATOM 673 N GLU A 46 -8.055 -5.796 -4.412 1.00 0.00 N ATOM 674 CA GLU A 46 -9.294 -5.847 -3.654 1.00 0.00 C ATOM 675 C GLU A 46 -9.150 -6.800 -2.466 1.00 0.00 C ATOM 676 O GLU A 46 -9.924 -6.730 -1.512 1.00 0.00 O ATOM 677 CB GLU A 46 -10.467 -6.256 -4.546 1.00 0.00 C ATOM 678 CG GLU A 46 -10.246 -7.651 -5.135 1.00 0.00 C ATOM 679 CD GLU A 46 -11.460 -8.099 -5.952 1.00 0.00 C ATOM 680 OE1 GLU A 46 -12.570 -8.081 -5.377 1.00 0.00 O ATOM 681 OE2 GLU A 46 -11.250 -8.450 -7.134 1.00 0.00 O ATOM 0 H GLU A 46 -8.101 -6.232 -5.333 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.504 -4.848 -3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.391 -6.244 -3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.586 -5.532 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.359 -7.646 -5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.060 -8.364 -4.332 1.00 0.00 H new ATOM 688 N ARG A 47 -8.153 -7.668 -2.562 1.00 0.00 N ATOM 689 CA ARG A 47 -7.898 -8.634 -1.506 1.00 0.00 C ATOM 690 C ARG A 47 -6.807 -8.117 -0.567 1.00 0.00 C ATOM 691 O ARG A 47 -6.748 -8.509 0.598 1.00 0.00 O ATOM 692 CB ARG A 47 -7.466 -9.982 -2.087 1.00 0.00 C ATOM 693 CG ARG A 47 -8.618 -10.648 -2.842 1.00 0.00 C ATOM 694 CD ARG A 47 -8.599 -12.165 -2.644 1.00 0.00 C ATOM 695 NE ARG A 47 -9.872 -12.611 -2.035 1.00 0.00 N ATOM 696 CZ ARG A 47 -10.141 -12.549 -0.724 1.00 0.00 C ATOM 697 NH1 ARG A 47 -9.227 -12.059 0.125 1.00 0.00 N ATOM 698 NH2 ARG A 47 -11.323 -12.977 -0.261 1.00 0.00 N ATOM 0 H ARG A 47 -7.513 -7.723 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.825 -8.771 -0.950 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.621 -9.838 -2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.126 -10.636 -1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.568 -10.244 -2.493 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.544 -10.415 -3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.450 -12.663 -3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.762 -12.446 -2.005 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.590 -12.990 -2.653 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.327 -11.733 -0.227 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.432 -12.012 1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.019 -13.350 -0.907 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.527 -12.930 0.737 1.00 0.00 H new ATOM 712 N GLN A 48 -5.969 -7.245 -1.108 1.00 0.00 N ATOM 713 CA GLN A 48 -4.883 -6.670 -0.332 1.00 0.00 C ATOM 714 C GLN A 48 -5.435 -5.721 0.733 1.00 0.00 C ATOM 715 O GLN A 48 -6.034 -4.698 0.407 1.00 0.00 O ATOM 716 CB GLN A 48 -3.881 -5.954 -1.239 1.00 0.00 C ATOM 717 CG GLN A 48 -2.769 -6.904 -1.688 1.00 0.00 C ATOM 718 CD GLN A 48 -1.635 -6.138 -2.372 1.00 0.00 C ATOM 719 OE1 GLN A 48 -0.509 -6.094 -1.904 1.00 0.00 O ATOM 720 NE2 GLN A 48 -1.994 -5.538 -3.504 1.00 0.00 N ATOM 0 H GLN A 48 -6.020 -6.923 -2.074 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.354 -7.479 0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.397 -5.554 -2.112 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.447 -5.106 -0.709 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.379 -7.445 -0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.176 -7.647 -2.374 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.954 -5.615 -3.840 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.309 -5.001 -4.036 1.00 0.00 H new ATOM 729 N LYS A 49 -5.213 -6.094 1.985 1.00 0.00 N ATOM 730 CA LYS A 49 -5.681 -5.288 3.100 1.00 0.00 C ATOM 731 C LYS A 49 -4.542 -4.392 3.590 1.00 0.00 C ATOM 732 O LYS A 49 -3.584 -4.874 4.192 1.00 0.00 O ATOM 733 CB LYS A 49 -6.276 -6.179 4.192 1.00 0.00 C ATOM 734 CG LYS A 49 -7.603 -5.612 4.700 1.00 0.00 C ATOM 735 CD LYS A 49 -7.384 -4.710 5.916 1.00 0.00 C ATOM 736 CE LYS A 49 -6.907 -3.320 5.490 1.00 0.00 C ATOM 737 NZ LYS A 49 -7.943 -2.304 5.782 1.00 0.00 N ATOM 0 H LYS A 49 -4.715 -6.943 2.252 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.490 -4.630 2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.432 -7.184 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.572 -6.265 5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.089 -5.046 3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.274 -6.429 4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.313 -4.622 6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.649 -5.163 6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.985 -3.069 6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.678 -3.318 4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.386 -1.995 4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.667 -2.715 6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.505 -1.487 6.253 1.00 0.00 H new ATOM 751 N LEU A 50 -4.683 -3.105 3.313 1.00 0.00 N ATOM 752 CA LEU A 50 -3.677 -2.137 3.718 1.00 0.00 C ATOM 753 C LEU A 50 -4.029 -1.592 5.104 1.00 0.00 C ATOM 754 O LEU A 50 -4.986 -0.834 5.252 1.00 0.00 O ATOM 755 CB LEU A 50 -3.519 -1.051 2.652 1.00 0.00 C ATOM 756 CG LEU A 50 -3.211 -1.541 1.236 1.00 0.00 C ATOM 757 CD1 LEU A 50 -2.666 -0.404 0.369 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.264 -2.743 1.265 1.00 0.00 C ATOM 0 H LEU A 50 -5.479 -2.709 2.813 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.700 -2.614 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.437 -0.464 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.721 -0.377 2.964 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.143 -1.876 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.455 -0.779 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.405 0.395 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.749 -0.016 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.062 -3.071 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.329 -2.458 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.726 -3.557 1.823 1.00 0.00 H new ATOM 770 N LEU A 51 -3.237 -2.001 6.084 1.00 0.00 N ATOM 771 CA LEU A 51 -3.452 -1.563 7.452 1.00 0.00 C ATOM 772 C LEU A 51 -2.515 -0.394 7.763 1.00 0.00 C ATOM 773 O LEU A 51 -1.296 -0.560 7.786 1.00 0.00 O ATOM 774 CB LEU A 51 -3.310 -2.739 8.420 1.00 0.00 C ATOM 775 CG LEU A 51 -4.381 -2.846 9.508 1.00 0.00 C ATOM 776 CD1 LEU A 51 -5.747 -3.175 8.903 1.00 0.00 C ATOM 777 CD2 LEU A 51 -3.972 -3.856 10.582 1.00 0.00 C ATOM 0 H LEU A 51 -2.445 -2.631 5.958 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.471 -1.197 7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.315 -3.663 7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.335 -2.671 8.903 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.470 -1.875 9.996 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.490 -3.245 9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.035 -2.388 8.206 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.691 -4.126 8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.750 -3.913 11.343 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.837 -4.837 10.126 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.037 -3.539 11.043 1.00 0.00 H new ATOM 789 N GLY A 52 -3.119 0.762 7.995 1.00 0.00 N ATOM 790 CA GLY A 52 -2.354 1.958 8.304 1.00 0.00 C ATOM 791 C GLY A 52 -3.279 3.140 8.601 1.00 0.00 C ATOM 792 O GLY A 52 -3.474 3.504 9.760 1.00 0.00 O ATOM 0 H GLY A 52 -4.130 0.896 7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.711 1.770 9.164 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.702 2.204 7.466 1.00 0.00 H new ATOM 796 N LEU A 53 -3.825 3.705 7.535 1.00 0.00 N ATOM 797 CA LEU A 53 -4.725 4.838 7.667 1.00 0.00 C ATOM 798 C LEU A 53 -6.042 4.523 6.956 1.00 0.00 C ATOM 799 O LEU A 53 -6.057 3.802 5.959 1.00 0.00 O ATOM 800 CB LEU A 53 -4.050 6.119 7.171 1.00 0.00 C ATOM 801 CG LEU A 53 -3.113 5.963 5.972 1.00 0.00 C ATOM 802 CD1 LEU A 53 -1.828 5.236 6.371 1.00 0.00 C ATOM 803 CD2 LEU A 53 -3.824 5.272 4.807 1.00 0.00 C ATOM 0 H LEU A 53 -3.662 3.400 6.576 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.963 5.015 8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.827 6.837 6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.483 6.550 7.996 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.827 6.958 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.180 5.138 5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.313 5.805 7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.074 4.245 6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.136 5.174 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.158 4.283 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.685 5.867 4.502 1.00 0.00 H new ATOM 815 N LYS A 54 -7.117 5.078 7.497 1.00 0.00 N ATOM 816 CA LYS A 54 -8.436 4.865 6.927 1.00 0.00 C ATOM 817 C LYS A 54 -9.201 6.191 6.911 1.00 0.00 C ATOM 818 O LYS A 54 -8.740 7.184 7.472 1.00 0.00 O ATOM 819 CB LYS A 54 -9.166 3.744 7.668 1.00 0.00 C ATOM 820 CG LYS A 54 -8.630 2.372 7.253 1.00 0.00 C ATOM 821 CD LYS A 54 -8.648 1.396 8.431 1.00 0.00 C ATOM 822 CE LYS A 54 -9.880 0.491 8.374 1.00 0.00 C ATOM 823 NZ LYS A 54 -9.638 -0.659 7.475 1.00 0.00 N ATOM 0 H LYS A 54 -7.101 5.675 8.324 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.354 4.531 5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.045 3.875 8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.234 3.800 7.458 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.233 1.974 6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.612 2.474 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.744 0.787 8.417 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.644 1.952 9.369 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.122 0.133 9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.740 1.060 8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.516 -1.207 7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.330 -0.313 6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.898 -1.267 7.880 1.00 0.00 H new ATOM 837 N VAL A 55 -10.356 6.164 6.263 1.00 0.00 N ATOM 838 CA VAL A 55 -11.188 7.351 6.167 1.00 0.00 C ATOM 839 C VAL A 55 -12.621 6.997 6.571 1.00 0.00 C ATOM 840 O VAL A 55 -13.348 6.365 5.805 1.00 0.00 O ATOM 841 CB VAL A 55 -11.093 7.945 4.760 1.00 0.00 C ATOM 842 CG1 VAL A 55 -12.132 9.050 4.560 1.00 0.00 C ATOM 843 CG2 VAL A 55 -9.681 8.462 4.478 1.00 0.00 C ATOM 0 H VAL A 55 -10.735 5.339 5.799 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.836 8.121 6.854 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.308 7.150 4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.043 9.455 3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.132 8.639 4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.963 9.845 5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.640 8.879 3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.425 9.236 5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.970 7.640 4.559 1.00 0.00 H new ATOM 853 N LYS A 56 -12.985 7.420 7.772 1.00 0.00 N ATOM 854 CA LYS A 56 -14.318 7.156 8.287 1.00 0.00 C ATOM 855 C LYS A 56 -14.810 5.810 7.751 1.00 0.00 C ATOM 856 O LYS A 56 -15.835 5.745 7.074 1.00 0.00 O ATOM 857 CB LYS A 56 -15.255 8.324 7.970 1.00 0.00 C ATOM 858 CG LYS A 56 -15.733 8.265 6.518 1.00 0.00 C ATOM 859 CD LYS A 56 -15.984 9.670 5.966 1.00 0.00 C ATOM 860 CE LYS A 56 -16.602 9.607 4.568 1.00 0.00 C ATOM 861 NZ LYS A 56 -17.969 10.175 4.579 1.00 0.00 N ATOM 0 H LYS A 56 -12.380 7.944 8.404 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.298 7.078 9.374 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.114 8.298 8.641 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -14.739 9.267 8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.987 7.758 5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.649 7.677 6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -16.648 10.215 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.045 10.223 5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.979 10.158 3.863 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.634 8.573 4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -18.374 10.124 3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -18.565 9.632 5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -17.930 11.168 4.886 1.00 0.00 H new ATOM 875 N GLY A 57 -14.055 4.770 8.073 1.00 0.00 N ATOM 876 CA GLY A 57 -14.402 3.429 7.633 1.00 0.00 C ATOM 877 C GLY A 57 -13.381 2.904 6.621 1.00 0.00 C ATOM 878 O GLY A 57 -12.431 2.216 6.993 1.00 0.00 O ATOM 0 H GLY A 57 -13.205 4.829 8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.445 2.760 8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.395 3.435 7.184 1.00 0.00 H new ATOM 882 N LYS A 58 -13.611 3.248 5.363 1.00 0.00 N ATOM 883 CA LYS A 58 -12.723 2.820 4.296 1.00 0.00 C ATOM 884 C LYS A 58 -11.610 3.855 4.118 1.00 0.00 C ATOM 885 O LYS A 58 -11.802 5.034 4.409 1.00 0.00 O ATOM 886 CB LYS A 58 -13.516 2.544 3.017 1.00 0.00 C ATOM 887 CG LYS A 58 -14.427 1.326 3.188 1.00 0.00 C ATOM 888 CD LYS A 58 -14.600 0.580 1.864 1.00 0.00 C ATOM 889 CE LYS A 58 -15.519 -0.631 2.033 1.00 0.00 C ATOM 890 NZ LYS A 58 -16.924 -0.197 2.196 1.00 0.00 N ATOM 0 H LYS A 58 -14.400 3.818 5.058 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.243 1.877 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.115 3.418 2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.829 2.375 2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.005 0.654 3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.401 1.645 3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.015 1.254 1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.627 0.254 1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.433 -1.284 1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.209 -1.212 2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.549 -1.028 2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.032 0.293 3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.180 0.449 1.422 1.00 0.00 H new ATOM 904 N PRO A 59 -10.441 3.363 3.627 1.00 0.00 N ATOM 905 CA PRO A 59 -9.297 4.232 3.406 1.00 0.00 C ATOM 906 C PRO A 59 -9.497 5.096 2.160 1.00 0.00 C ATOM 907 O PRO A 59 -10.441 4.885 1.399 1.00 0.00 O ATOM 908 CB PRO A 59 -8.107 3.293 3.294 1.00 0.00 C ATOM 909 CG PRO A 59 -8.685 1.921 2.991 1.00 0.00 C ATOM 910 CD PRO A 59 -10.178 1.972 3.270 1.00 0.00 C ATOM 0 HA PRO A 59 -9.149 4.947 4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.429 3.614 2.503 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.532 3.279 4.220 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.500 1.650 1.952 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.207 1.161 3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.755 1.672 2.395 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.453 1.296 4.080 1.00 0.00 H new ATOM 918 N ALA A 60 -8.594 6.050 1.989 1.00 0.00 N ATOM 919 CA ALA A 60 -8.659 6.947 0.848 1.00 0.00 C ATOM 920 C ALA A 60 -9.057 6.152 -0.398 1.00 0.00 C ATOM 921 O ALA A 60 -8.641 5.007 -0.567 1.00 0.00 O ATOM 922 CB ALA A 60 -7.316 7.659 0.681 1.00 0.00 C ATOM 0 H ALA A 60 -7.813 6.221 2.622 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.417 7.714 1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.365 8.332 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.094 8.232 1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.531 6.921 0.518 1.00 0.00 H new ATOM 928 N GLU A 61 -9.857 6.791 -1.238 1.00 0.00 N ATOM 929 CA GLU A 61 -10.315 6.158 -2.463 1.00 0.00 C ATOM 930 C GLU A 61 -9.124 5.628 -3.265 1.00 0.00 C ATOM 931 O GLU A 61 -7.973 5.891 -2.919 1.00 0.00 O ATOM 932 CB GLU A 61 -11.152 7.127 -3.301 1.00 0.00 C ATOM 933 CG GLU A 61 -12.502 7.402 -2.635 1.00 0.00 C ATOM 934 CD GLU A 61 -13.639 6.719 -3.397 1.00 0.00 C ATOM 935 OE1 GLU A 61 -13.693 6.912 -4.631 1.00 0.00 O ATOM 936 OE2 GLU A 61 -14.429 6.018 -2.728 1.00 0.00 O ATOM 0 H GLU A 61 -10.200 7.741 -1.095 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.952 5.315 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.609 8.063 -3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.311 6.710 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.483 7.044 -1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.680 8.477 -2.596 1.00 0.00 H new ATOM 943 N ASN A 62 -9.442 4.892 -4.319 1.00 0.00 N ATOM 944 CA ASN A 62 -8.412 4.323 -5.172 1.00 0.00 C ATOM 945 C ASN A 62 -7.843 5.418 -6.077 1.00 0.00 C ATOM 946 O ASN A 62 -6.628 5.538 -6.222 1.00 0.00 O ATOM 947 CB ASN A 62 -8.984 3.221 -6.066 1.00 0.00 C ATOM 948 CG ASN A 62 -10.154 3.744 -6.902 1.00 0.00 C ATOM 949 OD1 ASN A 62 -11.189 4.139 -6.390 1.00 0.00 O ATOM 950 ND2 ASN A 62 -9.932 3.726 -8.213 1.00 0.00 N ATOM 0 H ASN A 62 -10.398 4.676 -4.602 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.638 3.902 -4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.203 2.841 -6.725 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.317 2.385 -5.451 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.651 4.056 -8.857 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.043 3.382 -8.575 1.00 0.00 H new ATOM 957 N ASP A 63 -8.749 6.188 -6.662 1.00 0.00 N ATOM 958 CA ASP A 63 -8.353 7.268 -7.548 1.00 0.00 C ATOM 959 C ASP A 63 -8.055 8.519 -6.719 1.00 0.00 C ATOM 960 O ASP A 63 -8.654 9.571 -6.940 1.00 0.00 O ATOM 961 CB ASP A 63 -9.471 7.610 -8.535 1.00 0.00 C ATOM 962 CG ASP A 63 -8.998 8.093 -9.907 1.00 0.00 C ATOM 963 OD1 ASP A 63 -7.769 8.269 -10.054 1.00 0.00 O ATOM 964 OD2 ASP A 63 -9.876 8.277 -10.778 1.00 0.00 O ATOM 0 H ASP A 63 -9.756 6.085 -6.539 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.471 6.944 -8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.096 6.727 -8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.102 8.381 -8.093 1.00 0.00 H new ATOM 969 N VAL A 64 -7.132 8.364 -5.783 1.00 0.00 N ATOM 970 CA VAL A 64 -6.748 9.468 -4.920 1.00 0.00 C ATOM 971 C VAL A 64 -5.240 9.701 -5.037 1.00 0.00 C ATOM 972 O VAL A 64 -4.468 8.749 -5.140 1.00 0.00 O ATOM 973 CB VAL A 64 -7.200 9.192 -3.484 1.00 0.00 C ATOM 974 CG1 VAL A 64 -6.277 9.879 -2.477 1.00 0.00 C ATOM 975 CG2 VAL A 64 -8.654 9.620 -3.276 1.00 0.00 C ATOM 0 H VAL A 64 -6.638 7.490 -5.603 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.244 10.387 -5.232 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.139 8.117 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.621 9.667 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.261 9.505 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.291 10.956 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.951 9.413 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.751 10.687 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.298 9.065 -3.958 1.00 0.00 H new ATOM 985 N LYS A 65 -4.866 10.972 -5.016 1.00 0.00 N ATOM 986 CA LYS A 65 -3.465 11.342 -5.119 1.00 0.00 C ATOM 987 C LYS A 65 -2.793 11.160 -3.757 1.00 0.00 C ATOM 988 O LYS A 65 -3.059 11.916 -2.824 1.00 0.00 O ATOM 989 CB LYS A 65 -3.324 12.754 -5.691 1.00 0.00 C ATOM 990 CG LYS A 65 -2.923 12.710 -7.167 1.00 0.00 C ATOM 991 CD LYS A 65 -1.524 13.293 -7.373 1.00 0.00 C ATOM 992 CE LYS A 65 -1.542 14.404 -8.425 1.00 0.00 C ATOM 993 NZ LYS A 65 -1.471 15.733 -7.776 1.00 0.00 N ATOM 0 H LYS A 65 -5.509 11.759 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.948 10.687 -5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.267 13.290 -5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.576 13.307 -5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.948 11.680 -7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.645 13.270 -7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.148 13.687 -6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.840 12.504 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.701 14.281 -9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.451 14.333 -9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.484 16.476 -8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.287 15.854 -7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.592 15.804 -7.225 1.00 0.00 H new ATOM 1007 N LEU A 66 -1.935 10.153 -3.685 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.223 9.863 -2.453 1.00 0.00 C ATOM 1009 C LEU A 66 -0.639 11.160 -1.888 1.00 0.00 C ATOM 1010 O LEU A 66 -0.462 11.290 -0.678 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.180 8.767 -2.682 1.00 0.00 C ATOM 1012 CG LEU A 66 -0.710 7.439 -3.226 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.181 6.913 -4.352 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -0.880 6.415 -2.102 1.00 0.00 C ATOM 0 H LEU A 66 -1.717 9.528 -4.461 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.907 9.468 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.571 9.147 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.327 8.573 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.697 7.614 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.218 5.968 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.206 7.638 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.191 6.757 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.258 5.480 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.083 6.237 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.586 6.797 -1.365 1.00 0.00 H new ATOM 1026 N GLY A 67 -0.355 12.086 -2.792 1.00 0.00 N ATOM 1027 CA GLY A 67 0.206 13.368 -2.400 1.00 0.00 C ATOM 1028 C GLY A 67 -0.822 14.205 -1.638 1.00 0.00 C ATOM 1029 O GLY A 67 -0.511 14.777 -0.594 1.00 0.00 O ATOM 0 H GLY A 67 -0.503 11.974 -3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.085 13.209 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.537 13.910 -3.286 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.027 14.251 -2.189 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.102 15.010 -1.574 1.00 0.00 C ATOM 1035 C ALA A 68 -3.182 14.659 -0.086 1.00 0.00 C ATOM 1036 O ALA A 68 -3.514 15.509 0.738 1.00 0.00 O ATOM 1037 CB ALA A 68 -4.413 14.726 -2.310 1.00 0.00 C ATOM 0 H ALA A 68 -2.282 13.775 -3.054 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.909 16.080 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.220 15.295 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.314 15.018 -3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.640 13.662 -2.251 1.00 0.00 H new ATOM 1043 N LEU A 69 -2.872 13.406 0.211 1.00 0.00 N ATOM 1044 CA LEU A 69 -2.904 12.933 1.584 1.00 0.00 C ATOM 1045 C LEU A 69 -1.657 13.429 2.320 1.00 0.00 C ATOM 1046 O LEU A 69 -1.710 13.719 3.514 1.00 0.00 O ATOM 1047 CB LEU A 69 -3.077 11.413 1.624 1.00 0.00 C ATOM 1048 CG LEU A 69 -4.519 10.903 1.671 1.00 0.00 C ATOM 1049 CD1 LEU A 69 -5.298 11.569 2.807 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -5.209 11.085 0.318 1.00 0.00 C ATOM 0 H LEU A 69 -2.597 12.704 -0.476 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.768 13.343 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.591 10.989 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.548 11.030 2.497 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.497 9.833 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.320 11.190 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.816 11.345 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.314 12.648 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.232 10.715 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.221 12.143 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.666 10.528 -0.445 1.00 0.00 H new ATOM 1062 N LYS A 70 -0.564 13.512 1.576 1.00 0.00 N ATOM 1063 CA LYS A 70 0.694 13.969 2.142 1.00 0.00 C ATOM 1064 C LYS A 70 1.023 13.134 3.381 1.00 0.00 C ATOM 1065 O LYS A 70 1.204 13.677 4.470 1.00 0.00 O ATOM 1066 CB LYS A 70 0.646 15.474 2.410 1.00 0.00 C ATOM 1067 CG LYS A 70 1.288 16.256 1.261 1.00 0.00 C ATOM 1068 CD LYS A 70 0.535 17.562 0.999 1.00 0.00 C ATOM 1069 CE LYS A 70 1.078 18.267 -0.245 1.00 0.00 C ATOM 1070 NZ LYS A 70 -0.024 18.900 -1.004 1.00 0.00 N ATOM 0 H LYS A 70 -0.523 13.270 0.586 1.00 0.00 H new ATOM 0 HA LYS A 70 1.507 13.821 1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.389 15.792 2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.165 15.698 3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.329 16.474 1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.290 15.646 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.527 17.354 0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.628 18.219 1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.807 19.023 0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.599 17.549 -0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.362 19.374 -1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.706 18.172 -1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.503 19.599 -0.402 1.00 0.00 H new ATOM 1084 N LEU A 71 1.090 11.827 3.174 1.00 0.00 N ATOM 1085 CA LEU A 71 1.394 10.911 4.261 1.00 0.00 C ATOM 1086 C LEU A 71 2.859 11.080 4.669 1.00 0.00 C ATOM 1087 O LEU A 71 3.590 11.862 4.063 1.00 0.00 O ATOM 1088 CB LEU A 71 1.025 9.478 3.873 1.00 0.00 C ATOM 1089 CG LEU A 71 -0.419 9.257 3.420 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -0.469 8.455 2.118 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -1.247 8.602 4.527 1.00 0.00 C ATOM 0 H LEU A 71 0.939 11.380 2.270 1.00 0.00 H new ATOM 0 HA LEU A 71 0.789 11.145 5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.690 9.157 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.220 8.830 4.727 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.865 10.231 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.507 8.312 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.063 8.997 1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.001 7.484 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.270 8.456 4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.811 7.637 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.252 9.245 5.407 1.00 0.00 H new ATOM 1103 N LYS A 72 3.245 10.333 5.693 1.00 0.00 N ATOM 1104 CA LYS A 72 4.609 10.390 6.190 1.00 0.00 C ATOM 1105 C LYS A 72 5.526 9.621 5.237 1.00 0.00 C ATOM 1106 O LYS A 72 5.066 8.766 4.482 1.00 0.00 O ATOM 1107 CB LYS A 72 4.674 9.898 7.637 1.00 0.00 C ATOM 1108 CG LYS A 72 3.929 10.852 8.574 1.00 0.00 C ATOM 1109 CD LYS A 72 4.186 10.493 10.039 1.00 0.00 C ATOM 1110 CE LYS A 72 2.917 9.960 10.704 1.00 0.00 C ATOM 1111 NZ LYS A 72 2.876 10.350 12.131 1.00 0.00 N ATOM 0 H LYS A 72 2.636 9.685 6.192 1.00 0.00 H new ATOM 0 HA LYS A 72 4.963 11.421 6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.239 8.901 7.706 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.715 9.814 7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.249 11.877 8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.860 10.809 8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.975 9.744 10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.540 11.373 10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.039 10.349 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.882 8.874 10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.008 9.980 12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.705 9.958 12.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.887 11.387 12.208 1.00 0.00 H new ATOM 1125 N PRO A 73 6.841 9.961 5.305 1.00 0.00 N ATOM 1126 CA PRO A 73 7.827 9.312 4.458 1.00 0.00 C ATOM 1127 C PRO A 73 8.132 7.897 4.956 1.00 0.00 C ATOM 1128 O PRO A 73 7.981 7.607 6.142 1.00 0.00 O ATOM 1129 CB PRO A 73 9.040 10.228 4.492 1.00 0.00 C ATOM 1130 CG PRO A 73 8.861 11.110 5.717 1.00 0.00 C ATOM 1131 CD PRO A 73 7.422 10.969 6.187 1.00 0.00 C ATOM 0 HA PRO A 73 7.477 9.175 3.435 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.963 9.652 4.557 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.102 10.828 3.584 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.551 10.812 6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.083 12.149 5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.375 10.657 7.230 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.887 11.916 6.113 1.00 0.00 H new ATOM 1139 N ASN A 74 8.554 7.055 4.024 1.00 0.00 N ATOM 1140 CA ASN A 74 8.881 5.678 4.354 1.00 0.00 C ATOM 1141 C ASN A 74 7.829 5.125 5.318 1.00 0.00 C ATOM 1142 O ASN A 74 8.147 4.326 6.198 1.00 0.00 O ATOM 1143 CB ASN A 74 10.246 5.585 5.038 1.00 0.00 C ATOM 1144 CG ASN A 74 10.455 6.751 6.006 1.00 0.00 C ATOM 1145 OD1 ASN A 74 10.872 7.835 5.631 1.00 0.00 O ATOM 1146 ND2 ASN A 74 10.142 6.470 7.268 1.00 0.00 N ATOM 0 H ASN A 74 8.677 7.299 3.041 1.00 0.00 H new ATOM 0 HA ASN A 74 8.903 5.105 3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.323 4.641 5.578 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.035 5.587 4.286 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.246 7.183 7.990 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.798 5.542 7.514 1.00 0.00 H new ATOM 1153 N THR A 75 6.598 5.573 5.121 1.00 0.00 N ATOM 1154 CA THR A 75 5.498 5.133 5.962 1.00 0.00 C ATOM 1155 C THR A 75 5.319 3.617 5.857 1.00 0.00 C ATOM 1156 O THR A 75 4.766 3.120 4.877 1.00 0.00 O ATOM 1157 CB THR A 75 4.250 5.922 5.559 1.00 0.00 C ATOM 1158 OG1 THR A 75 4.349 7.133 6.304 1.00 0.00 O ATOM 1159 CG2 THR A 75 2.960 5.276 6.068 1.00 0.00 C ATOM 0 H THR A 75 6.338 6.236 4.391 1.00 0.00 H new ATOM 0 HA THR A 75 5.701 5.332 7.014 1.00 0.00 H new ATOM 0 HB THR A 75 4.210 6.008 4.473 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.516 7.641 6.215 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.105 5.875 5.755 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.869 4.271 5.656 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.985 5.221 7.156 1.00 0.00 H new ATOM 1167 N LYS A 76 5.798 2.925 6.880 1.00 0.00 N ATOM 1168 CA LYS A 76 5.698 1.476 6.915 1.00 0.00 C ATOM 1169 C LYS A 76 4.245 1.075 7.178 1.00 0.00 C ATOM 1170 O LYS A 76 3.785 1.105 8.318 1.00 0.00 O ATOM 1171 CB LYS A 76 6.688 0.895 7.926 1.00 0.00 C ATOM 1172 CG LYS A 76 8.116 1.354 7.622 1.00 0.00 C ATOM 1173 CD LYS A 76 8.893 1.620 8.913 1.00 0.00 C ATOM 1174 CE LYS A 76 8.480 2.954 9.537 1.00 0.00 C ATOM 1175 NZ LYS A 76 9.460 3.372 10.564 1.00 0.00 N ATOM 0 H LYS A 76 6.256 3.341 7.691 1.00 0.00 H new ATOM 0 HA LYS A 76 5.977 1.052 5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.409 1.205 8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.640 -0.194 7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.629 0.593 7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.089 2.260 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.714 0.812 9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.962 1.629 8.703 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.408 3.718 8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.491 2.861 9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.164 4.279 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.509 2.651 11.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.397 3.480 10.126 1.00 0.00 H new ATOM 1189 N ILE A 77 3.562 0.710 6.103 1.00 0.00 N ATOM 1190 CA ILE A 77 2.170 0.304 6.203 1.00 0.00 C ATOM 1191 C ILE A 77 2.098 -1.213 6.385 1.00 0.00 C ATOM 1192 O ILE A 77 3.107 -1.906 6.264 1.00 0.00 O ATOM 1193 CB ILE A 77 1.375 0.817 5.001 1.00 0.00 C ATOM 1194 CG1 ILE A 77 1.762 0.066 3.726 1.00 0.00 C ATOM 1195 CG2 ILE A 77 1.533 2.331 4.845 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.953 -1.224 3.582 1.00 0.00 C ATOM 0 H ILE A 77 3.946 0.687 5.158 1.00 0.00 H new ATOM 0 HA ILE A 77 1.704 0.754 7.080 1.00 0.00 H new ATOM 0 HB ILE A 77 0.318 0.620 5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.593 0.704 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.826 -0.168 3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.958 2.670 3.983 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.169 2.829 5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.585 2.574 4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.248 -1.738 2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.143 -1.870 4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.109 -0.984 3.537 1.00 0.00 H new ATOM 1208 N MET A 78 0.894 -1.686 6.675 1.00 0.00 N ATOM 1209 CA MET A 78 0.677 -3.108 6.876 1.00 0.00 C ATOM 1210 C MET A 78 -0.124 -3.709 5.719 1.00 0.00 C ATOM 1211 O MET A 78 -0.935 -3.024 5.098 1.00 0.00 O ATOM 1212 CB MET A 78 -0.078 -3.330 8.188 1.00 0.00 C ATOM 1213 CG MET A 78 0.769 -4.130 9.179 1.00 0.00 C ATOM 1214 SD MET A 78 0.570 -3.470 10.825 1.00 0.00 S ATOM 1215 CE MET A 78 -0.087 -4.905 11.658 1.00 0.00 C ATOM 0 H MET A 78 0.059 -1.109 6.775 1.00 0.00 H new ATOM 0 HA MET A 78 1.648 -3.602 6.917 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.345 -2.368 8.626 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.010 -3.859 7.990 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.472 -5.179 9.160 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.818 -4.091 8.887 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.270 -4.665 12.705 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.022 -5.204 11.185 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.630 -5.723 11.593 1.00 0.00 H new ATOM 1225 N MET A 79 0.132 -4.984 5.463 1.00 0.00 N ATOM 1226 CA MET A 79 -0.555 -5.685 4.392 1.00 0.00 C ATOM 1227 C MET A 79 -1.082 -7.039 4.872 1.00 0.00 C ATOM 1228 O MET A 79 -0.326 -7.850 5.404 1.00 0.00 O ATOM 1229 CB MET A 79 0.408 -5.898 3.221 1.00 0.00 C ATOM 1230 CG MET A 79 -0.355 -6.041 1.903 1.00 0.00 C ATOM 1231 SD MET A 79 0.744 -6.622 0.622 1.00 0.00 S ATOM 1232 CE MET A 79 0.221 -8.325 0.512 1.00 0.00 C ATOM 0 H MET A 79 0.806 -5.549 5.979 1.00 0.00 H new ATOM 0 HA MET A 79 -1.403 -5.079 4.072 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.099 -5.057 3.156 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.008 -6.791 3.397 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.184 -6.738 2.027 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.786 -5.082 1.617 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.059 -8.943 0.190 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.125 -8.663 1.489 1.00 0.00 H new ATOM 0 HE3 MET A 79 -0.591 -8.410 -0.210 1.00 0.00 H new ATOM 1242 N MET A 80 -2.376 -7.240 4.667 1.00 0.00 N ATOM 1243 CA MET A 80 -3.013 -8.481 5.072 1.00 0.00 C ATOM 1244 C MET A 80 -3.837 -9.073 3.927 1.00 0.00 C ATOM 1245 O MET A 80 -4.640 -8.375 3.310 1.00 0.00 O ATOM 1246 CB MET A 80 -3.923 -8.219 6.274 1.00 0.00 C ATOM 1247 CG MET A 80 -3.222 -8.589 7.583 1.00 0.00 C ATOM 1248 SD MET A 80 -4.136 -9.871 8.424 1.00 0.00 S ATOM 1249 CE MET A 80 -5.519 -8.918 9.030 1.00 0.00 C ATOM 0 H MET A 80 -3.000 -6.564 4.226 1.00 0.00 H new ATOM 0 HA MET A 80 -2.236 -9.196 5.342 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.210 -7.168 6.295 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.841 -8.798 6.173 1.00 0.00 H new ATOM 0 HG2 MET A 80 -2.207 -8.929 7.378 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.140 -7.710 8.222 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.195 -9.570 9.584 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.156 -8.128 9.688 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.051 -8.474 8.189 1.00 0.00 H new ATOM 1259 N GLY A 81 -3.611 -10.355 3.679 1.00 0.00 N ATOM 1260 CA GLY A 81 -4.322 -11.049 2.619 1.00 0.00 C ATOM 1261 C GLY A 81 -3.656 -12.388 2.297 1.00 0.00 C ATOM 1262 O GLY A 81 -2.587 -12.696 2.822 1.00 0.00 O ATOM 0 H GLY A 81 -2.945 -10.931 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.356 -11.216 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.346 -10.427 1.725 1.00 0.00 H new ATOM 1266 N THR A 82 -4.314 -13.148 1.434 1.00 0.00 N ATOM 1267 CA THR A 82 -3.799 -14.447 1.035 1.00 0.00 C ATOM 1268 C THR A 82 -3.453 -14.448 -0.455 1.00 0.00 C ATOM 1269 O THR A 82 -3.894 -13.574 -1.200 1.00 0.00 O ATOM 1270 CB THR A 82 -4.834 -15.505 1.420 1.00 0.00 C ATOM 1271 OG1 THR A 82 -6.063 -14.988 0.916 1.00 0.00 O ATOM 1272 CG2 THR A 82 -5.056 -15.585 2.932 1.00 0.00 C ATOM 0 H THR A 82 -5.200 -12.889 1.000 1.00 0.00 H new ATOM 0 HA THR A 82 -2.868 -14.680 1.553 1.00 0.00 H new ATOM 0 HB THR A 82 -4.513 -16.478 1.048 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.789 -15.613 1.121 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.800 -16.351 3.150 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.118 -15.839 3.425 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.409 -14.621 3.299 1.00 0.00 H new ATOM 1280 N ARG A 83 -2.668 -15.441 -0.847 1.00 0.00 N ATOM 1281 CA ARG A 83 -2.258 -15.568 -2.235 1.00 0.00 C ATOM 1282 C ARG A 83 -3.088 -16.644 -2.937 1.00 0.00 C ATOM 1283 O ARG A 83 -3.554 -17.588 -2.300 1.00 0.00 O ATOM 1284 CB ARG A 83 -0.774 -15.928 -2.341 1.00 0.00 C ATOM 1285 CG ARG A 83 -0.532 -17.381 -1.930 1.00 0.00 C ATOM 1286 CD ARG A 83 0.853 -17.550 -1.303 1.00 0.00 C ATOM 1287 NE ARG A 83 1.073 -18.967 -0.935 1.00 0.00 N ATOM 1288 CZ ARG A 83 1.334 -19.940 -1.819 1.00 0.00 C ATOM 1289 NH1 ARG A 83 1.410 -19.656 -3.126 1.00 0.00 N ATOM 1290 NH2 ARG A 83 1.520 -21.198 -1.394 1.00 0.00 N ATOM 0 H ARG A 83 -2.305 -16.165 -0.227 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.422 -14.605 -2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.431 -15.774 -3.364 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.189 -15.264 -1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.297 -17.694 -1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.622 -18.029 -2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.621 -17.225 -2.005 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.941 -16.918 -0.419 1.00 0.00 H new ATOM 0 HE ARG A 83 1.023 -19.218 0.052 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.269 -18.699 -3.449 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.609 -20.397 -3.798 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.463 -21.414 -0.399 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.719 -21.939 -2.066 1.00 0.00 H new ATOM 1304 N GLU A 84 -3.248 -16.467 -4.240 1.00 0.00 N ATOM 1305 CA GLU A 84 -4.014 -17.412 -5.036 1.00 0.00 C ATOM 1306 C GLU A 84 -5.507 -17.273 -4.732 1.00 0.00 C ATOM 1307 O GLU A 84 -5.993 -17.804 -3.734 1.00 0.00 O ATOM 1308 CB GLU A 84 -3.536 -18.845 -4.795 1.00 0.00 C ATOM 1309 CG GLU A 84 -3.533 -19.648 -6.098 1.00 0.00 C ATOM 1310 CD GLU A 84 -4.930 -19.688 -6.720 1.00 0.00 C ATOM 1311 OE1 GLU A 84 -5.802 -20.347 -6.114 1.00 0.00 O ATOM 1312 OE2 GLU A 84 -5.094 -19.059 -7.788 1.00 0.00 O ATOM 0 H GLU A 84 -2.860 -15.683 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.855 -17.184 -6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.532 -18.831 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.184 -19.331 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.830 -19.203 -6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.189 -20.664 -5.903 1.00 0.00 H new ATOM 1319 N SER A 85 -6.193 -16.558 -5.610 1.00 0.00 N ATOM 1320 CA SER A 85 -7.621 -16.343 -5.449 1.00 0.00 C ATOM 1321 C SER A 85 -8.346 -17.687 -5.361 1.00 0.00 C ATOM 1322 O SER A 85 -8.352 -18.457 -6.320 1.00 0.00 O ATOM 1323 CB SER A 85 -8.187 -15.509 -6.600 1.00 0.00 C ATOM 1324 OG SER A 85 -8.461 -16.304 -7.750 1.00 0.00 O ATOM 0 H SER A 85 -5.786 -16.119 -6.436 1.00 0.00 H new ATOM 0 HA SER A 85 -7.781 -15.790 -4.523 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.102 -15.015 -6.274 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.477 -14.724 -6.862 1.00 0.00 H new ATOM 0 HG SER A 85 -8.117 -17.211 -7.610 1.00 0.00 H new ATOM 1330 N GLY A 86 -8.940 -17.929 -4.202 1.00 0.00 N ATOM 1331 CA GLY A 86 -9.666 -19.167 -3.976 1.00 0.00 C ATOM 1332 C GLY A 86 -9.438 -19.685 -2.555 1.00 0.00 C ATOM 1333 O GLY A 86 -8.457 -19.323 -1.908 1.00 0.00 O ATOM 0 H GLY A 86 -8.933 -17.288 -3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.731 -19.003 -4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.344 -19.918 -4.697 1.00 0.00 H new ATOM 1337 N PRO A 87 -10.386 -20.548 -2.099 1.00 0.00 N ATOM 1338 CA PRO A 87 -10.298 -21.119 -0.766 1.00 0.00 C ATOM 1339 C PRO A 87 -9.228 -22.211 -0.707 1.00 0.00 C ATOM 1340 O PRO A 87 -8.609 -22.534 -1.720 1.00 0.00 O ATOM 1341 CB PRO A 87 -11.695 -21.641 -0.469 1.00 0.00 C ATOM 1342 CG PRO A 87 -12.390 -21.760 -1.815 1.00 0.00 C ATOM 1343 CD PRO A 87 -11.562 -20.999 -2.837 1.00 0.00 C ATOM 0 HA PRO A 87 -9.991 -20.390 -0.016 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.652 -22.606 0.035 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -12.234 -20.961 0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -12.485 -22.807 -2.104 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -13.399 -21.351 -1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -11.283 -21.638 -3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -12.118 -20.157 -3.249 1.00 0.00 H new ATOM 1351 N SER A 88 -9.042 -22.749 0.489 1.00 0.00 N ATOM 1352 CA SER A 88 -8.057 -23.798 0.693 1.00 0.00 C ATOM 1353 C SER A 88 -8.421 -24.625 1.928 1.00 0.00 C ATOM 1354 O SER A 88 -8.048 -24.274 3.046 1.00 0.00 O ATOM 1355 CB SER A 88 -6.652 -23.212 0.842 1.00 0.00 C ATOM 1356 OG SER A 88 -5.654 -24.227 0.906 1.00 0.00 O ATOM 0 H SER A 88 -9.557 -22.478 1.327 1.00 0.00 H new ATOM 0 HA SER A 88 -8.060 -24.446 -0.184 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.444 -22.551 0.000 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.607 -22.602 1.744 1.00 0.00 H new ATOM 0 HG SER A 88 -4.771 -23.812 0.999 1.00 0.00 H new ATOM 1362 N SER A 89 -9.145 -25.707 1.684 1.00 0.00 N ATOM 1363 CA SER A 89 -9.564 -26.586 2.762 1.00 0.00 C ATOM 1364 C SER A 89 -8.339 -27.129 3.500 1.00 0.00 C ATOM 1365 O SER A 89 -7.385 -27.589 2.873 1.00 0.00 O ATOM 1366 CB SER A 89 -10.418 -27.740 2.232 1.00 0.00 C ATOM 1367 OG SER A 89 -9.829 -28.361 1.093 1.00 0.00 O ATOM 0 H SER A 89 -9.452 -25.995 0.755 1.00 0.00 H new ATOM 0 HA SER A 89 -10.173 -26.008 3.457 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.554 -28.481 3.019 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.408 -27.368 1.970 1.00 0.00 H new ATOM 0 HG SER A 89 -10.403 -29.093 0.786 1.00 0.00 H new ATOM 1373 N GLY A 90 -8.404 -27.058 4.821 1.00 0.00 N ATOM 1374 CA GLY A 90 -7.311 -27.536 5.651 1.00 0.00 C ATOM 1375 C GLY A 90 -6.943 -28.978 5.296 1.00 0.00 C ATOM 1376 O GLY A 90 -7.441 -29.525 4.313 1.00 0.00 O ATOM 0 H GLY A 90 -9.197 -26.677 5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.441 -26.892 5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -7.595 -27.478 6.702 1.00 0.00 H new TER 1380 GLY A 90