USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 732 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 150 HIS : no HD1:sc= -1.23 K(o=0.013,f=-0.79!) USER MOD Set 1.2: A 154 THR OG1 : rot 14:sc= 1.24 USER MOD Set 2.1: A 100 GLN : amide:sc= -0.25 K(o=0.53,f=-2.6!) USER MOD Set 2.2: A 156 LYS NZ :NH3+ -178:sc= 0.784 (180deg=0.712) USER MOD Set 3.1: A 90 TYR OH : rot 65:sc= 1.32 USER MOD Set 3.2: A 115 HIS : no HE2:sc= 0.825 K(o=2.1,f=-7!) USER MOD Single : A 67 LYS NZ :NH3+ -136:sc= 0.599 (180deg=-1.15!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 72 THR OG1 : rot -137:sc= 0.723 USER MOD Single : A 78 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0532 USER MOD Single : A 87 SER OG : rot 22:sc= 0.6 USER MOD Single : A 93 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 95 LYS NZ :NH3+ 179:sc= 0.635 (180deg=0.634) USER MOD Single : A 96 SER OG : rot 80:sc= 0.299 USER MOD Single : A 105 SER OG : rot -110:sc= -0.723 USER MOD Single : A 107 ASN : amide:sc= -1.08 K(o=-1.1,f=-8.7!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 92:sc= 0.931 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 85:sc= 1.25 USER MOD Single : A 123 CYS SG : rot 177:sc= -8.4! USER MOD Single : A 125 SER OG : rot 101:sc= -0.524 USER MOD Single : A 127 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0603) USER MOD Single : A 136 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0774) USER MOD Single : A 140 THR OG1 : rot 72:sc= 1.28 USER MOD Single : A 141 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 144 LYS NZ :NH3+ -146:sc= 0.38 (180deg=-0.781!) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 ASN : amide:sc= 0.361 K(o=0.36,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 67 N LYS A 67 -5.079 3.640 -13.411 1.00 0.00 N ATOM 68 CA LYS A 67 -3.981 3.330 -14.268 1.00 0.00 C ATOM 69 C LYS A 67 -2.701 3.784 -13.610 1.00 0.00 C ATOM 70 O LYS A 67 -2.057 3.033 -12.922 1.00 0.00 O ATOM 71 CB LYS A 67 -4.134 4.037 -15.617 1.00 0.00 C ATOM 72 CG LYS A 67 -5.294 3.575 -16.469 1.00 0.00 C ATOM 73 CD LYS A 67 -5.626 4.555 -17.621 1.00 0.00 C ATOM 74 CE LYS A 67 -4.469 4.836 -18.607 1.00 0.00 C ATOM 75 NZ LYS A 67 -3.384 5.700 -18.047 1.00 0.00 N ATOM 0 HA LYS A 67 -3.958 2.254 -14.439 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.243 5.106 -15.436 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.213 3.902 -16.184 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.063 2.596 -16.888 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.175 3.452 -15.839 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.471 4.156 -18.183 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.950 5.501 -17.188 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.036 3.887 -18.922 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.874 5.313 -19.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.109 6.413 -18.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.728 6.177 -17.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.560 5.112 -17.810 1.00 0.00 H new ATOM 89 N SER A 68 -2.413 5.052 -13.748 1.00 0.00 N ATOM 90 CA SER A 68 -1.187 5.616 -13.276 1.00 0.00 C ATOM 91 C SER A 68 -1.514 6.754 -12.314 1.00 0.00 C ATOM 92 O SER A 68 -2.701 7.045 -12.087 1.00 0.00 O ATOM 93 CB SER A 68 -0.433 6.147 -14.487 1.00 0.00 C ATOM 94 OG SER A 68 -0.430 5.183 -15.543 1.00 0.00 O ATOM 0 H SER A 68 -3.034 5.725 -14.197 1.00 0.00 H new ATOM 0 HA SER A 68 -0.579 4.877 -12.754 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.896 7.071 -14.833 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.592 6.389 -14.206 1.00 0.00 H new ATOM 0 HG SER A 68 0.058 5.543 -16.313 1.00 0.00 H new ATOM 100 N LEU A 69 -0.496 7.415 -11.784 1.00 0.00 N ATOM 101 CA LEU A 69 -0.693 8.519 -10.840 1.00 0.00 C ATOM 102 C LEU A 69 -1.281 9.746 -11.502 1.00 0.00 C ATOM 103 O LEU A 69 -1.836 10.618 -10.840 1.00 0.00 O ATOM 104 CB LEU A 69 0.600 8.839 -10.113 1.00 0.00 C ATOM 105 CG LEU A 69 0.912 7.936 -8.936 1.00 0.00 C ATOM 106 CD1 LEU A 69 2.362 8.023 -8.576 1.00 0.00 C ATOM 107 CD2 LEU A 69 0.086 8.363 -7.750 1.00 0.00 C ATOM 0 H LEU A 69 0.482 7.209 -11.989 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.425 8.190 -10.102 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.424 8.781 -10.825 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.556 9.869 -9.760 1.00 0.00 H new ATOM 0 HG LEU A 69 0.676 6.908 -9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.567 7.368 -7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.968 7.714 -9.428 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.609 9.050 -8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.307 7.716 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.325 9.395 -7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.973 8.287 -7.998 1.00 0.00 H new ATOM 119 N THR A 70 -1.187 9.787 -12.806 1.00 0.00 N ATOM 120 CA THR A 70 -1.752 10.842 -13.602 1.00 0.00 C ATOM 121 C THR A 70 -3.298 10.860 -13.475 1.00 0.00 C ATOM 122 O THR A 70 -3.929 11.917 -13.579 1.00 0.00 O ATOM 123 CB THR A 70 -1.359 10.610 -15.062 1.00 0.00 C ATOM 124 OG1 THR A 70 0.048 10.306 -15.103 1.00 0.00 O ATOM 125 CG2 THR A 70 -1.631 11.847 -15.906 1.00 0.00 C ATOM 0 H THR A 70 -0.706 9.073 -13.353 1.00 0.00 H new ATOM 0 HA THR A 70 -1.372 11.802 -13.252 1.00 0.00 H new ATOM 0 HB THR A 70 -1.950 9.788 -15.467 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.322 10.151 -16.031 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.342 11.653 -16.939 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.693 12.089 -15.865 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.053 12.686 -15.519 1.00 0.00 H new ATOM 133 N GLU A 71 -3.890 9.703 -13.180 1.00 0.00 N ATOM 134 CA GLU A 71 -5.346 9.586 -13.112 1.00 0.00 C ATOM 135 C GLU A 71 -5.833 10.022 -11.731 1.00 0.00 C ATOM 136 O GLU A 71 -7.001 10.382 -11.543 1.00 0.00 O ATOM 137 CB GLU A 71 -5.780 8.118 -13.281 1.00 0.00 C ATOM 138 CG GLU A 71 -5.093 7.319 -14.381 1.00 0.00 C ATOM 139 CD GLU A 71 -5.220 7.895 -15.766 1.00 0.00 C ATOM 140 OE1 GLU A 71 -6.272 8.451 -16.101 1.00 0.00 O ATOM 141 OE2 GLU A 71 -4.265 7.731 -16.558 1.00 0.00 O ATOM 0 H GLU A 71 -3.387 8.837 -12.985 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.764 10.208 -13.903 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.614 7.604 -12.334 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.853 8.101 -13.469 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.034 7.231 -14.137 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.504 6.309 -14.386 1.00 0.00 H new ATOM 148 N THR A 72 -4.933 9.997 -10.799 1.00 0.00 N ATOM 149 CA THR A 72 -5.230 10.141 -9.411 1.00 0.00 C ATOM 150 C THR A 72 -5.521 11.599 -8.991 1.00 0.00 C ATOM 151 O THR A 72 -5.079 12.554 -9.652 1.00 0.00 O ATOM 152 CB THR A 72 -4.041 9.594 -8.640 1.00 0.00 C ATOM 153 OG1 THR A 72 -3.573 8.423 -9.324 1.00 0.00 O ATOM 154 CG2 THR A 72 -4.454 9.190 -7.262 1.00 0.00 C ATOM 0 H THR A 72 -3.939 9.872 -10.991 1.00 0.00 H new ATOM 0 HA THR A 72 -6.145 9.591 -9.191 1.00 0.00 H new ATOM 0 HB THR A 72 -3.268 10.360 -8.574 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.373 7.721 -8.671 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.591 8.800 -6.723 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.852 10.056 -6.733 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.222 8.419 -7.324 1.00 0.00 H new ATOM 162 N GLU A 73 -6.291 11.746 -7.915 1.00 0.00 N ATOM 163 CA GLU A 73 -6.623 13.029 -7.328 1.00 0.00 C ATOM 164 C GLU A 73 -5.735 13.264 -6.095 1.00 0.00 C ATOM 165 O GLU A 73 -5.208 12.300 -5.513 1.00 0.00 O ATOM 166 CB GLU A 73 -8.104 13.049 -6.951 1.00 0.00 C ATOM 167 CG GLU A 73 -8.507 11.974 -5.955 1.00 0.00 C ATOM 168 CD GLU A 73 -9.977 11.982 -5.665 1.00 0.00 C ATOM 169 OE1 GLU A 73 -10.436 12.817 -4.857 1.00 0.00 O ATOM 170 OE2 GLU A 73 -10.712 11.155 -6.239 1.00 0.00 O ATOM 0 H GLU A 73 -6.707 10.956 -7.421 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.442 13.830 -8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.348 14.026 -6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.700 12.932 -7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.222 10.997 -6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.956 12.119 -5.026 1.00 0.00 H new ATOM 177 N LEU A 74 -5.579 14.513 -5.697 1.00 0.00 N ATOM 178 CA LEU A 74 -4.682 14.869 -4.617 1.00 0.00 C ATOM 179 C LEU A 74 -5.483 15.307 -3.388 1.00 0.00 C ATOM 180 O LEU A 74 -6.374 16.155 -3.480 1.00 0.00 O ATOM 181 CB LEU A 74 -3.724 16.004 -5.114 1.00 0.00 C ATOM 182 CG LEU A 74 -2.495 16.409 -4.242 1.00 0.00 C ATOM 183 CD1 LEU A 74 -2.879 17.115 -2.951 1.00 0.00 C ATOM 184 CD2 LEU A 74 -1.636 15.204 -3.947 1.00 0.00 C ATOM 0 H LEU A 74 -6.069 15.305 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.084 14.007 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.347 15.708 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.328 16.899 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.925 17.128 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.978 17.369 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.430 18.026 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.505 16.457 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.784 15.505 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.224 14.462 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.279 14.774 -4.883 1.00 0.00 H new ATOM 196 N LEU A 75 -5.168 14.719 -2.265 1.00 0.00 N ATOM 197 CA LEU A 75 -5.761 15.077 -1.004 1.00 0.00 C ATOM 198 C LEU A 75 -4.665 15.465 -0.035 1.00 0.00 C ATOM 199 O LEU A 75 -3.649 14.767 0.075 1.00 0.00 O ATOM 200 CB LEU A 75 -6.584 13.919 -0.368 1.00 0.00 C ATOM 201 CG LEU A 75 -7.959 13.559 -0.966 1.00 0.00 C ATOM 202 CD1 LEU A 75 -8.894 14.752 -0.960 1.00 0.00 C ATOM 203 CD2 LEU A 75 -7.836 12.964 -2.349 1.00 0.00 C ATOM 0 H LEU A 75 -4.482 13.967 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.444 15.904 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.967 13.021 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.737 14.163 0.683 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.395 12.792 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.854 14.464 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.041 15.094 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.460 15.558 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.828 12.725 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.354 13.682 -3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.237 12.055 -2.302 1.00 0.00 H new ATOM 215 N PRO A 76 -4.782 16.611 0.607 1.00 0.00 N ATOM 216 CA PRO A 76 -3.901 16.963 1.699 1.00 0.00 C ATOM 217 C PRO A 76 -4.144 15.995 2.858 1.00 0.00 C ATOM 218 O PRO A 76 -5.282 15.600 3.110 1.00 0.00 O ATOM 219 CB PRO A 76 -4.344 18.376 2.090 1.00 0.00 C ATOM 220 CG PRO A 76 -5.113 18.876 0.920 1.00 0.00 C ATOM 221 CD PRO A 76 -5.735 17.677 0.289 1.00 0.00 C ATOM 0 HA PRO A 76 -2.843 16.917 1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.959 18.362 2.990 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.486 19.015 2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.874 19.591 1.231 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.460 19.392 0.216 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.724 17.471 0.699 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.856 17.803 -0.787 1.00 0.00 H new ATOM 229 N ILE A 77 -3.099 15.636 3.571 1.00 0.00 N ATOM 230 CA ILE A 77 -3.193 14.644 4.667 1.00 0.00 C ATOM 231 C ILE A 77 -4.060 15.138 5.834 1.00 0.00 C ATOM 232 O ILE A 77 -4.456 14.368 6.703 1.00 0.00 O ATOM 233 CB ILE A 77 -1.804 14.217 5.223 1.00 0.00 C ATOM 234 CG1 ILE A 77 -1.086 15.361 5.994 1.00 0.00 C ATOM 235 CG2 ILE A 77 -0.920 13.666 4.108 1.00 0.00 C ATOM 236 CD1 ILE A 77 -0.630 16.557 5.176 1.00 0.00 C ATOM 0 H ILE A 77 -2.161 16.008 3.425 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.667 13.776 4.210 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.985 13.423 5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.758 15.719 6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.214 14.939 6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.046 13.374 4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.400 12.797 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.773 14.433 3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.145 17.282 5.830 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.075 16.228 4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.493 17.021 4.697 1.00 0.00 H new ATOM 248 N THR A 78 -4.354 16.418 5.824 1.00 0.00 N ATOM 249 CA THR A 78 -5.151 17.044 6.829 1.00 0.00 C ATOM 250 C THR A 78 -6.631 16.713 6.633 1.00 0.00 C ATOM 251 O THR A 78 -7.446 16.843 7.545 1.00 0.00 O ATOM 252 CB THR A 78 -4.928 18.558 6.755 1.00 0.00 C ATOM 253 OG1 THR A 78 -4.985 18.975 5.368 1.00 0.00 O ATOM 254 CG2 THR A 78 -3.575 18.927 7.337 1.00 0.00 C ATOM 0 H THR A 78 -4.034 17.058 5.097 1.00 0.00 H new ATOM 0 HA THR A 78 -4.857 16.673 7.811 1.00 0.00 H new ATOM 0 HB THR A 78 -5.704 19.061 7.332 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.899 18.868 5.032 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.435 20.006 7.276 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.530 18.614 8.380 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.788 18.426 6.774 1.00 0.00 H new ATOM 262 N GLU A 79 -6.967 16.226 5.452 1.00 0.00 N ATOM 263 CA GLU A 79 -8.337 15.929 5.106 1.00 0.00 C ATOM 264 C GLU A 79 -8.634 14.465 5.422 1.00 0.00 C ATOM 265 O GLU A 79 -9.487 13.863 4.793 1.00 0.00 O ATOM 266 CB GLU A 79 -8.560 16.179 3.610 1.00 0.00 C ATOM 267 CG GLU A 79 -7.977 17.485 3.087 1.00 0.00 C ATOM 268 CD GLU A 79 -8.385 18.699 3.871 1.00 0.00 C ATOM 269 OE1 GLU A 79 -9.558 19.106 3.799 1.00 0.00 O ATOM 270 OE2 GLU A 79 -7.519 19.297 4.550 1.00 0.00 O ATOM 0 H GLU A 79 -6.296 16.027 4.710 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.001 16.572 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.124 15.352 3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.631 16.170 3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.889 17.412 3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.283 17.617 2.049 1.00 0.00 H new ATOM 277 N ALA A 80 -7.958 13.938 6.441 1.00 0.00 N ATOM 278 CA ALA A 80 -8.048 12.532 6.863 1.00 0.00 C ATOM 279 C ALA A 80 -9.500 12.034 7.033 1.00 0.00 C ATOM 280 O ALA A 80 -9.838 10.934 6.608 1.00 0.00 O ATOM 281 CB ALA A 80 -7.264 12.330 8.148 1.00 0.00 C ATOM 0 H ALA A 80 -7.316 14.486 7.013 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.614 11.933 6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.334 11.287 8.457 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.219 12.590 7.981 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.676 12.968 8.930 1.00 0.00 H new ATOM 287 N ASP A 81 -10.360 12.873 7.593 1.00 0.00 N ATOM 288 CA ASP A 81 -11.767 12.499 7.832 1.00 0.00 C ATOM 289 C ASP A 81 -12.554 12.462 6.511 1.00 0.00 C ATOM 290 O ASP A 81 -13.602 11.838 6.405 1.00 0.00 O ATOM 291 CB ASP A 81 -12.424 13.491 8.813 1.00 0.00 C ATOM 292 CG ASP A 81 -13.854 13.119 9.194 1.00 0.00 C ATOM 293 OD1 ASP A 81 -14.042 12.363 10.171 1.00 0.00 O ATOM 294 OD2 ASP A 81 -14.812 13.598 8.553 1.00 0.00 O ATOM 0 H ASP A 81 -10.119 13.818 7.893 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.785 11.502 8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.819 13.548 9.718 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.423 14.485 8.366 1.00 0.00 H new ATOM 299 N SER A 82 -12.012 13.090 5.500 1.00 0.00 N ATOM 300 CA SER A 82 -12.675 13.203 4.223 1.00 0.00 C ATOM 301 C SER A 82 -12.072 12.237 3.191 1.00 0.00 C ATOM 302 O SER A 82 -12.527 12.181 2.046 1.00 0.00 O ATOM 303 CB SER A 82 -12.559 14.643 3.743 1.00 0.00 C ATOM 304 OG SER A 82 -13.023 15.529 4.764 1.00 0.00 O ATOM 0 H SER A 82 -11.097 13.539 5.537 1.00 0.00 H new ATOM 0 HA SER A 82 -13.725 12.933 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.523 14.871 3.493 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.144 14.782 2.834 1.00 0.00 H new ATOM 0 HG SER A 82 -12.946 16.455 4.453 1.00 0.00 H new ATOM 310 N ILE A 83 -11.056 11.485 3.599 1.00 0.00 N ATOM 311 CA ILE A 83 -10.419 10.518 2.720 1.00 0.00 C ATOM 312 C ILE A 83 -11.427 9.414 2.378 1.00 0.00 C ATOM 313 O ILE A 83 -12.187 8.969 3.255 1.00 0.00 O ATOM 314 CB ILE A 83 -9.147 9.881 3.384 1.00 0.00 C ATOM 315 CG1 ILE A 83 -8.150 10.962 3.812 1.00 0.00 C ATOM 316 CG2 ILE A 83 -8.467 8.870 2.462 1.00 0.00 C ATOM 317 CD1 ILE A 83 -7.635 11.848 2.700 1.00 0.00 C ATOM 0 H ILE A 83 -10.656 11.529 4.536 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.098 11.035 1.816 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.486 9.347 4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -8.624 11.592 4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.299 10.478 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.592 8.454 2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -9.165 8.067 2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -8.158 9.367 1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.937 12.578 3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.125 11.237 1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.471 12.368 2.233 1.00 0.00 H new ATOM 329 N PRO A 84 -11.524 9.038 1.097 1.00 0.00 N ATOM 330 CA PRO A 84 -12.394 7.951 0.654 1.00 0.00 C ATOM 331 C PRO A 84 -12.172 6.665 1.461 1.00 0.00 C ATOM 332 O PRO A 84 -11.041 6.174 1.607 1.00 0.00 O ATOM 333 CB PRO A 84 -11.950 7.738 -0.780 1.00 0.00 C ATOM 334 CG PRO A 84 -11.517 9.079 -1.226 1.00 0.00 C ATOM 335 CD PRO A 84 -10.846 9.691 -0.045 1.00 0.00 C ATOM 0 HA PRO A 84 -13.451 8.191 0.773 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.136 7.015 -0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.764 7.356 -1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.835 9.010 -2.073 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.367 9.679 -1.549 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.774 9.495 -0.044 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.973 10.773 -0.025 1.00 0.00 H new ATOM 343 N SER A 85 -13.244 6.114 1.934 1.00 0.00 N ATOM 344 CA SER A 85 -13.228 4.939 2.761 1.00 0.00 C ATOM 345 C SER A 85 -13.540 3.711 1.922 1.00 0.00 C ATOM 346 O SER A 85 -14.354 2.862 2.289 1.00 0.00 O ATOM 347 CB SER A 85 -14.245 5.151 3.871 1.00 0.00 C ATOM 348 OG SER A 85 -15.417 5.776 3.352 1.00 0.00 O ATOM 0 H SER A 85 -14.181 6.474 1.754 1.00 0.00 H new ATOM 0 HA SER A 85 -12.245 4.774 3.202 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.505 4.194 4.324 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.812 5.769 4.658 1.00 0.00 H new ATOM 0 HG SER A 85 -16.066 5.906 4.075 1.00 0.00 H new ATOM 354 N ALA A 86 -12.842 3.612 0.835 1.00 0.00 N ATOM 355 CA ALA A 86 -13.036 2.570 -0.133 1.00 0.00 C ATOM 356 C ALA A 86 -11.723 1.862 -0.362 1.00 0.00 C ATOM 357 O ALA A 86 -10.705 2.229 0.251 1.00 0.00 O ATOM 358 CB ALA A 86 -13.565 3.159 -1.433 1.00 0.00 C ATOM 0 H ALA A 86 -12.102 4.268 0.586 1.00 0.00 H new ATOM 0 HA ALA A 86 -13.769 1.853 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -13.709 2.361 -2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -14.517 3.656 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.848 3.882 -1.823 1.00 0.00 H new ATOM 364 N SER A 87 -11.725 0.886 -1.231 1.00 0.00 N ATOM 365 CA SER A 87 -10.552 0.113 -1.500 1.00 0.00 C ATOM 366 C SER A 87 -9.843 0.685 -2.712 1.00 0.00 C ATOM 367 O SER A 87 -10.483 1.205 -3.647 1.00 0.00 O ATOM 368 CB SER A 87 -10.935 -1.369 -1.730 1.00 0.00 C ATOM 369 OG SER A 87 -9.791 -2.223 -1.766 1.00 0.00 O ATOM 0 H SER A 87 -12.544 0.608 -1.771 1.00 0.00 H new ATOM 0 HA SER A 87 -9.877 0.158 -0.645 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.606 -1.697 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.483 -1.459 -2.668 1.00 0.00 H new ATOM 0 HG SER A 87 -9.046 -1.791 -1.299 1.00 0.00 H new ATOM 375 N GLY A 88 -8.542 0.626 -2.687 1.00 0.00 N ATOM 376 CA GLY A 88 -7.781 1.106 -3.778 1.00 0.00 C ATOM 377 C GLY A 88 -6.347 1.296 -3.405 1.00 0.00 C ATOM 378 O GLY A 88 -5.852 0.691 -2.430 1.00 0.00 O ATOM 0 H GLY A 88 -7.995 0.247 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.852 0.404 -4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.196 2.052 -4.124 1.00 0.00 H new ATOM 382 N VAL A 89 -5.706 2.144 -4.140 1.00 0.00 N ATOM 383 CA VAL A 89 -4.304 2.447 -3.986 1.00 0.00 C ATOM 384 C VAL A 89 -4.136 3.854 -3.455 1.00 0.00 C ATOM 385 O VAL A 89 -4.989 4.717 -3.688 1.00 0.00 O ATOM 386 CB VAL A 89 -3.549 2.327 -5.349 1.00 0.00 C ATOM 387 CG1 VAL A 89 -3.281 0.890 -5.701 1.00 0.00 C ATOM 388 CG2 VAL A 89 -4.360 2.950 -6.465 1.00 0.00 C ATOM 0 H VAL A 89 -6.151 2.668 -4.893 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.882 1.728 -3.284 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.601 2.854 -5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.755 0.841 -6.654 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.668 0.433 -4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.226 0.352 -5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.817 2.856 -7.405 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.319 2.439 -6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.529 4.005 -6.247 1.00 0.00 H new ATOM 398 N TYR A 90 -3.078 4.089 -2.737 1.00 0.00 N ATOM 399 CA TYR A 90 -2.793 5.415 -2.247 1.00 0.00 C ATOM 400 C TYR A 90 -1.300 5.687 -2.307 1.00 0.00 C ATOM 401 O TYR A 90 -0.481 4.764 -2.167 1.00 0.00 O ATOM 402 CB TYR A 90 -3.345 5.637 -0.827 1.00 0.00 C ATOM 403 CG TYR A 90 -2.701 4.798 0.253 1.00 0.00 C ATOM 404 CD1 TYR A 90 -1.581 5.261 0.926 1.00 0.00 C ATOM 405 CD2 TYR A 90 -3.214 3.559 0.611 1.00 0.00 C ATOM 406 CE1 TYR A 90 -0.992 4.524 1.913 1.00 0.00 C ATOM 407 CE2 TYR A 90 -2.626 2.815 1.613 1.00 0.00 C ATOM 408 CZ TYR A 90 -1.514 3.305 2.257 1.00 0.00 C ATOM 409 OH TYR A 90 -0.920 2.582 3.269 1.00 0.00 O ATOM 0 H TYR A 90 -2.393 3.381 -2.474 1.00 0.00 H new ATOM 0 HA TYR A 90 -3.303 6.127 -2.896 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.224 6.689 -0.568 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.415 5.431 -0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.166 6.223 0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -4.083 3.173 0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.117 4.901 2.421 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.036 1.855 1.890 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.017 3.065 4.116 1.00 0.00 H new ATOM 419 N ALA A 91 -0.956 6.918 -2.546 1.00 0.00 N ATOM 420 CA ALA A 91 0.414 7.338 -2.655 1.00 0.00 C ATOM 421 C ALA A 91 0.688 8.451 -1.668 1.00 0.00 C ATOM 422 O ALA A 91 0.027 9.487 -1.705 1.00 0.00 O ATOM 423 CB ALA A 91 0.689 7.804 -4.070 1.00 0.00 C ATOM 0 H ALA A 91 -1.630 7.673 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 91 1.073 6.500 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.728 8.123 -4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.504 6.985 -4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.033 8.640 -4.312 1.00 0.00 H new ATOM 429 N VAL A 92 1.647 8.232 -0.804 1.00 0.00 N ATOM 430 CA VAL A 92 2.008 9.167 0.237 1.00 0.00 C ATOM 431 C VAL A 92 3.198 10.032 -0.210 1.00 0.00 C ATOM 432 O VAL A 92 4.314 9.511 -0.478 1.00 0.00 O ATOM 433 CB VAL A 92 2.378 8.421 1.552 1.00 0.00 C ATOM 434 CG1 VAL A 92 2.701 9.403 2.666 1.00 0.00 C ATOM 435 CG2 VAL A 92 1.252 7.495 1.983 1.00 0.00 C ATOM 0 H VAL A 92 2.211 7.382 -0.803 1.00 0.00 H new ATOM 0 HA VAL A 92 1.145 9.806 0.425 1.00 0.00 H new ATOM 0 HB VAL A 92 3.267 7.822 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.956 8.854 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.545 10.025 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.834 10.035 2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.533 6.984 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.347 8.078 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.068 6.758 1.201 1.00 0.00 H new ATOM 445 N TYR A 93 2.951 11.318 -0.306 1.00 0.00 N ATOM 446 CA TYR A 93 3.939 12.306 -0.681 1.00 0.00 C ATOM 447 C TYR A 93 4.296 13.095 0.559 1.00 0.00 C ATOM 448 O TYR A 93 3.403 13.523 1.298 1.00 0.00 O ATOM 449 CB TYR A 93 3.378 13.259 -1.752 1.00 0.00 C ATOM 450 CG TYR A 93 3.015 12.600 -3.055 1.00 0.00 C ATOM 451 CD1 TYR A 93 1.871 11.836 -3.188 1.00 0.00 C ATOM 452 CD2 TYR A 93 3.819 12.758 -4.157 1.00 0.00 C ATOM 453 CE1 TYR A 93 1.558 11.245 -4.385 1.00 0.00 C ATOM 454 CE2 TYR A 93 3.509 12.172 -5.355 1.00 0.00 C ATOM 455 CZ TYR A 93 2.387 11.419 -5.466 1.00 0.00 C ATOM 456 OH TYR A 93 2.085 10.836 -6.668 1.00 0.00 O ATOM 0 H TYR A 93 2.031 11.718 -0.120 1.00 0.00 H new ATOM 0 HA TYR A 93 4.817 11.811 -1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.492 13.752 -1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.115 14.037 -1.948 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.216 11.703 -2.340 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.714 13.357 -4.077 1.00 0.00 H new ATOM 0 HE1 TYR A 93 0.664 10.646 -4.477 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.156 12.309 -6.209 1.00 0.00 H new ATOM 0 HH TYR A 93 2.777 11.062 -7.324 1.00 0.00 H new ATOM 466 N ASP A 94 5.568 13.310 0.776 1.00 0.00 N ATOM 467 CA ASP A 94 6.040 13.958 2.000 1.00 0.00 C ATOM 468 C ASP A 94 5.887 15.481 1.942 1.00 0.00 C ATOM 469 O ASP A 94 5.237 16.025 1.047 1.00 0.00 O ATOM 470 CB ASP A 94 7.509 13.600 2.277 1.00 0.00 C ATOM 471 CG ASP A 94 8.484 14.294 1.355 1.00 0.00 C ATOM 472 OD1 ASP A 94 8.659 13.853 0.220 1.00 0.00 O ATOM 473 OD2 ASP A 94 9.091 15.305 1.775 1.00 0.00 O ATOM 0 H ASP A 94 6.309 13.049 0.125 1.00 0.00 H new ATOM 0 HA ASP A 94 5.416 13.585 2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.749 13.859 3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 94 7.636 12.522 2.181 1.00 0.00 H new ATOM 478 N LYS A 95 6.522 16.149 2.907 1.00 0.00 N ATOM 479 CA LYS A 95 6.513 17.609 3.075 1.00 0.00 C ATOM 480 C LYS A 95 7.023 18.304 1.804 1.00 0.00 C ATOM 481 O LYS A 95 6.587 19.388 1.454 1.00 0.00 O ATOM 482 CB LYS A 95 7.462 17.999 4.233 1.00 0.00 C ATOM 483 CG LYS A 95 7.248 17.254 5.554 1.00 0.00 C ATOM 484 CD LYS A 95 5.899 17.546 6.179 1.00 0.00 C ATOM 485 CE LYS A 95 5.720 16.770 7.480 1.00 0.00 C ATOM 486 NZ LYS A 95 4.407 17.031 8.102 1.00 0.00 N ATOM 0 H LYS A 95 7.077 15.675 3.619 1.00 0.00 H new ATOM 0 HA LYS A 95 5.489 17.920 3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 95 8.489 17.833 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.356 19.068 4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.339 16.182 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.036 17.531 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.808 18.615 6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.105 17.280 5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.822 15.703 7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.512 17.043 8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.319 16.472 8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.326 18.043 8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.650 16.763 7.441 1.00 0.00 H new ATOM 500 N SER A 96 7.941 17.649 1.124 1.00 0.00 N ATOM 501 CA SER A 96 8.570 18.190 -0.054 1.00 0.00 C ATOM 502 C SER A 96 7.796 17.794 -1.320 1.00 0.00 C ATOM 503 O SER A 96 8.263 18.038 -2.439 1.00 0.00 O ATOM 504 CB SER A 96 9.997 17.665 -0.121 1.00 0.00 C ATOM 505 OG SER A 96 10.609 17.763 1.165 1.00 0.00 O ATOM 0 H SER A 96 8.272 16.718 1.379 1.00 0.00 H new ATOM 0 HA SER A 96 8.573 19.279 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.997 16.628 -0.456 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.570 18.236 -0.851 1.00 0.00 H new ATOM 0 HG SER A 96 10.320 17.011 1.723 1.00 0.00 H new ATOM 511 N ASP A 97 6.617 17.169 -1.128 1.00 0.00 N ATOM 512 CA ASP A 97 5.715 16.750 -2.226 1.00 0.00 C ATOM 513 C ASP A 97 6.324 15.573 -3.028 1.00 0.00 C ATOM 514 O ASP A 97 5.882 15.223 -4.120 1.00 0.00 O ATOM 515 CB ASP A 97 5.357 17.984 -3.123 1.00 0.00 C ATOM 516 CG ASP A 97 4.430 17.695 -4.289 1.00 0.00 C ATOM 517 OD1 ASP A 97 3.214 17.639 -4.094 1.00 0.00 O ATOM 518 OD2 ASP A 97 4.920 17.560 -5.439 1.00 0.00 O ATOM 0 H ASP A 97 6.259 16.938 -0.201 1.00 0.00 H new ATOM 0 HA ASP A 97 4.782 16.376 -1.805 1.00 0.00 H new ATOM 0 HB2 ASP A 97 4.896 18.746 -2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.282 18.409 -3.513 1.00 0.00 H new ATOM 523 N GLU A 98 7.309 14.923 -2.461 1.00 0.00 N ATOM 524 CA GLU A 98 7.931 13.813 -3.130 1.00 0.00 C ATOM 525 C GLU A 98 7.265 12.519 -2.729 1.00 0.00 C ATOM 526 O GLU A 98 6.880 12.339 -1.573 1.00 0.00 O ATOM 527 CB GLU A 98 9.426 13.760 -2.861 1.00 0.00 C ATOM 528 CG GLU A 98 10.175 14.970 -3.366 1.00 0.00 C ATOM 529 CD GLU A 98 11.661 14.863 -3.156 1.00 0.00 C ATOM 530 OE1 GLU A 98 12.326 14.111 -3.901 1.00 0.00 O ATOM 531 OE2 GLU A 98 12.208 15.563 -2.282 1.00 0.00 O ATOM 0 H GLU A 98 7.694 15.143 -1.543 1.00 0.00 H new ATOM 0 HA GLU A 98 7.801 13.955 -4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.590 13.663 -1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.839 12.866 -3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.971 15.101 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.804 15.860 -2.858 1.00 0.00 H new ATOM 538 N LEU A 99 7.082 11.651 -3.684 1.00 0.00 N ATOM 539 CA LEU A 99 6.480 10.361 -3.442 1.00 0.00 C ATOM 540 C LEU A 99 7.519 9.408 -2.925 1.00 0.00 C ATOM 541 O LEU A 99 8.579 9.285 -3.505 1.00 0.00 O ATOM 542 CB LEU A 99 5.835 9.833 -4.755 1.00 0.00 C ATOM 543 CG LEU A 99 5.085 8.465 -4.754 1.00 0.00 C ATOM 544 CD1 LEU A 99 6.033 7.271 -4.781 1.00 0.00 C ATOM 545 CD2 LEU A 99 4.156 8.372 -3.561 1.00 0.00 C ATOM 0 H LEU A 99 7.345 11.814 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 99 5.697 10.452 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.130 10.590 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.625 9.770 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 99 4.500 8.426 -5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.455 6.347 -4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.646 7.313 -5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.677 7.298 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.641 7.412 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.735 8.460 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.423 9.178 -3.607 1.00 0.00 H new ATOM 557 N GLN A 100 7.206 8.755 -1.844 1.00 0.00 N ATOM 558 CA GLN A 100 8.062 7.723 -1.295 1.00 0.00 C ATOM 559 C GLN A 100 7.304 6.432 -1.108 1.00 0.00 C ATOM 560 O GLN A 100 7.766 5.379 -1.492 1.00 0.00 O ATOM 561 CB GLN A 100 8.747 8.103 0.040 1.00 0.00 C ATOM 562 CG GLN A 100 10.021 8.937 -0.078 1.00 0.00 C ATOM 563 CD GLN A 100 9.810 10.379 -0.461 1.00 0.00 C ATOM 564 OE1 GLN A 100 10.645 10.975 -1.136 1.00 0.00 O ATOM 565 NE2 GLN A 100 8.758 10.978 0.027 1.00 0.00 N ATOM 0 H GLN A 100 6.351 8.917 -1.312 1.00 0.00 H new ATOM 0 HA GLN A 100 8.854 7.599 -2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.031 8.653 0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.985 7.185 0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.547 8.904 0.876 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.673 8.473 -0.818 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.084 10.452 0.584 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.610 11.972 -0.148 1.00 0.00 H new ATOM 574 N PHE A 101 6.103 6.509 -0.595 1.00 0.00 N ATOM 575 CA PHE A 101 5.415 5.301 -0.228 1.00 0.00 C ATOM 576 C PHE A 101 4.079 5.194 -0.900 1.00 0.00 C ATOM 577 O PHE A 101 3.299 6.124 -0.904 1.00 0.00 O ATOM 578 CB PHE A 101 5.257 5.227 1.311 1.00 0.00 C ATOM 579 CG PHE A 101 4.450 4.048 1.811 1.00 0.00 C ATOM 580 CD1 PHE A 101 5.006 2.784 1.874 1.00 0.00 C ATOM 581 CD2 PHE A 101 3.133 4.213 2.218 1.00 0.00 C ATOM 582 CE1 PHE A 101 4.266 1.708 2.328 1.00 0.00 C ATOM 583 CE2 PHE A 101 2.392 3.141 2.675 1.00 0.00 C ATOM 584 CZ PHE A 101 2.958 1.888 2.729 1.00 0.00 C ATOM 0 H PHE A 101 5.591 7.375 -0.425 1.00 0.00 H new ATOM 0 HA PHE A 101 6.017 4.458 -0.567 1.00 0.00 H new ATOM 0 HB2 PHE A 101 6.248 5.188 1.762 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.785 6.146 1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.030 2.635 1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.682 5.193 2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.712 0.725 2.369 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.369 3.286 2.990 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.380 1.048 3.084 1.00 0.00 H new ATOM 594 N VAL A 102 3.843 4.057 -1.477 1.00 0.00 N ATOM 595 CA VAL A 102 2.570 3.733 -2.075 1.00 0.00 C ATOM 596 C VAL A 102 2.074 2.478 -1.418 1.00 0.00 C ATOM 597 O VAL A 102 2.893 1.669 -0.938 1.00 0.00 O ATOM 598 CB VAL A 102 2.631 3.533 -3.629 1.00 0.00 C ATOM 599 CG1 VAL A 102 2.956 4.831 -4.334 1.00 0.00 C ATOM 600 CG2 VAL A 102 3.641 2.464 -4.017 1.00 0.00 C ATOM 0 H VAL A 102 4.535 3.311 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 102 1.897 4.576 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 102 1.643 3.200 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.992 4.662 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.187 5.570 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.924 5.198 -3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.655 2.353 -5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.632 2.756 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.361 1.515 -3.559 1.00 0.00 H new ATOM 610 N GLY A 103 0.790 2.309 -1.362 1.00 0.00 N ATOM 611 CA GLY A 103 0.247 1.150 -0.726 1.00 0.00 C ATOM 612 C GLY A 103 -1.147 0.857 -1.177 1.00 0.00 C ATOM 613 O GLY A 103 -1.779 1.684 -1.850 1.00 0.00 O ATOM 0 H GLY A 103 0.101 2.955 -1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 103 0.883 0.291 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 103 0.254 1.294 0.354 1.00 0.00 H new ATOM 617 N ILE A 104 -1.620 -0.306 -0.818 1.00 0.00 N ATOM 618 CA ILE A 104 -2.950 -0.756 -1.150 1.00 0.00 C ATOM 619 C ILE A 104 -3.732 -1.042 0.119 1.00 0.00 C ATOM 620 O ILE A 104 -3.154 -1.450 1.136 1.00 0.00 O ATOM 621 CB ILE A 104 -2.918 -1.999 -2.089 1.00 0.00 C ATOM 622 CG1 ILE A 104 -1.981 -3.107 -1.553 1.00 0.00 C ATOM 623 CG2 ILE A 104 -2.518 -1.577 -3.477 1.00 0.00 C ATOM 624 CD1 ILE A 104 -1.840 -4.311 -2.482 1.00 0.00 C ATOM 0 H ILE A 104 -1.083 -0.983 -0.276 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.454 0.040 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 104 -3.921 -2.425 -2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.994 -2.679 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.356 -3.449 -0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.497 -2.449 -4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -3.239 -0.854 -3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.528 -1.121 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.167 -5.041 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.818 -4.767 -2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.435 -3.986 -3.440 1.00 0.00 H new ATOM 636 N SER A 105 -5.012 -0.768 0.102 1.00 0.00 N ATOM 637 CA SER A 105 -5.847 -0.967 1.273 1.00 0.00 C ATOM 638 C SER A 105 -7.291 -1.302 0.886 1.00 0.00 C ATOM 639 O SER A 105 -7.753 -0.961 -0.220 1.00 0.00 O ATOM 640 CB SER A 105 -5.812 0.295 2.156 1.00 0.00 C ATOM 641 OG SER A 105 -4.501 0.542 2.631 1.00 0.00 O ATOM 0 H SER A 105 -5.507 -0.404 -0.712 1.00 0.00 H new ATOM 0 HA SER A 105 -5.451 -1.815 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 105 -6.164 1.154 1.584 1.00 0.00 H new ATOM 0 HB3 SER A 105 -6.492 0.173 2.999 1.00 0.00 H new ATOM 0 HG SER A 105 -4.465 0.371 3.595 1.00 0.00 H new ATOM 647 N ARG A 106 -7.987 -1.996 1.788 1.00 0.00 N ATOM 648 CA ARG A 106 -9.401 -2.318 1.624 1.00 0.00 C ATOM 649 C ARG A 106 -10.225 -1.077 1.977 1.00 0.00 C ATOM 650 O ARG A 106 -11.332 -0.882 1.488 1.00 0.00 O ATOM 651 CB ARG A 106 -9.784 -3.509 2.527 1.00 0.00 C ATOM 652 CG ARG A 106 -11.259 -3.926 2.463 1.00 0.00 C ATOM 653 CD ARG A 106 -11.661 -4.480 1.096 1.00 0.00 C ATOM 654 NE ARG A 106 -10.977 -5.746 0.775 1.00 0.00 N ATOM 655 CZ ARG A 106 -11.495 -6.725 0.006 1.00 0.00 C ATOM 656 NH1 ARG A 106 -12.708 -6.602 -0.521 1.00 0.00 N ATOM 657 NH2 ARG A 106 -10.795 -7.826 -0.231 1.00 0.00 N ATOM 0 H ARG A 106 -7.582 -2.351 2.655 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.604 -2.606 0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.168 -4.366 2.253 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -9.538 -3.257 3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -11.452 -4.680 3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -11.885 -3.066 2.699 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.739 -4.638 1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.432 -3.742 0.327 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.045 -5.892 1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.257 -5.761 -0.345 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.090 -7.349 -1.101 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.863 -7.934 0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.189 -8.565 -0.813 1.00 0.00 H new ATOM 671 N ASN A 107 -9.672 -0.267 2.841 1.00 0.00 N ATOM 672 CA ASN A 107 -10.230 1.013 3.190 1.00 0.00 C ATOM 673 C ASN A 107 -9.089 1.974 3.369 1.00 0.00 C ATOM 674 O ASN A 107 -8.354 1.916 4.368 1.00 0.00 O ATOM 675 CB ASN A 107 -11.118 0.936 4.444 1.00 0.00 C ATOM 676 CG ASN A 107 -11.770 2.273 4.847 1.00 0.00 C ATOM 677 OD1 ASN A 107 -11.199 3.355 4.709 1.00 0.00 O ATOM 678 ND2 ASN A 107 -12.989 2.204 5.278 1.00 0.00 N ATOM 0 H ASN A 107 -8.804 -0.483 3.331 1.00 0.00 H new ATOM 0 HA ASN A 107 -10.887 1.359 2.392 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -11.904 0.200 4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.517 0.573 5.278 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -13.497 3.057 5.511 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -13.442 1.296 5.384 1.00 0.00 H new ATOM 685 N ILE A 108 -8.912 2.801 2.367 1.00 0.00 N ATOM 686 CA ILE A 108 -7.848 3.781 2.309 1.00 0.00 C ATOM 687 C ILE A 108 -7.861 4.699 3.542 1.00 0.00 C ATOM 688 O ILE A 108 -6.875 4.768 4.266 1.00 0.00 O ATOM 689 CB ILE A 108 -7.943 4.614 0.993 1.00 0.00 C ATOM 690 CG1 ILE A 108 -7.819 3.684 -0.229 1.00 0.00 C ATOM 691 CG2 ILE A 108 -6.875 5.694 0.947 1.00 0.00 C ATOM 692 CD1 ILE A 108 -7.951 4.384 -1.569 1.00 0.00 C ATOM 0 H ILE A 108 -9.518 2.813 1.547 1.00 0.00 H new ATOM 0 HA ILE A 108 -6.899 3.245 2.310 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.916 5.106 0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.853 3.181 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.584 2.911 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.967 6.257 0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.002 6.368 1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -5.889 5.233 0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.851 3.654 -2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.928 4.864 -1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.169 5.138 -1.664 1.00 0.00 H new ATOM 704 N ALA A 109 -9.003 5.330 3.801 1.00 0.00 N ATOM 705 CA ALA A 109 -9.166 6.284 4.909 1.00 0.00 C ATOM 706 C ALA A 109 -8.715 5.717 6.252 1.00 0.00 C ATOM 707 O ALA A 109 -8.020 6.397 7.015 1.00 0.00 O ATOM 708 CB ALA A 109 -10.610 6.735 5.007 1.00 0.00 C ATOM 0 H ALA A 109 -9.850 5.197 3.248 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.523 7.135 4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -10.716 7.441 5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -10.904 7.218 4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.250 5.871 5.185 1.00 0.00 H new ATOM 714 N ALA A 110 -9.089 4.480 6.519 1.00 0.00 N ATOM 715 CA ALA A 110 -8.763 3.831 7.775 1.00 0.00 C ATOM 716 C ALA A 110 -7.256 3.628 7.938 1.00 0.00 C ATOM 717 O ALA A 110 -6.658 4.093 8.925 1.00 0.00 O ATOM 718 CB ALA A 110 -9.500 2.504 7.895 1.00 0.00 C ATOM 0 H ALA A 110 -9.625 3.899 5.875 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.090 4.490 8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -9.244 2.030 8.843 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -10.575 2.680 7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.209 1.851 7.073 1.00 0.00 H new ATOM 724 N SER A 111 -6.646 2.979 6.965 1.00 0.00 N ATOM 725 CA SER A 111 -5.238 2.651 7.025 1.00 0.00 C ATOM 726 C SER A 111 -4.337 3.887 6.875 1.00 0.00 C ATOM 727 O SER A 111 -3.341 4.031 7.608 1.00 0.00 O ATOM 728 CB SER A 111 -4.917 1.596 5.971 1.00 0.00 C ATOM 729 OG SER A 111 -5.732 0.443 6.168 1.00 0.00 O ATOM 0 H SER A 111 -7.112 2.666 6.114 1.00 0.00 H new ATOM 0 HA SER A 111 -5.028 2.246 8.015 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.085 2.004 4.974 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.864 1.321 6.030 1.00 0.00 H new ATOM 0 HG SER A 111 -5.520 -0.228 5.486 1.00 0.00 H new ATOM 735 N VAL A 112 -4.699 4.789 5.965 1.00 0.00 N ATOM 736 CA VAL A 112 -3.912 5.992 5.707 1.00 0.00 C ATOM 737 C VAL A 112 -3.782 6.850 6.950 1.00 0.00 C ATOM 738 O VAL A 112 -2.654 7.100 7.414 1.00 0.00 O ATOM 739 CB VAL A 112 -4.473 6.818 4.505 1.00 0.00 C ATOM 740 CG1 VAL A 112 -3.803 8.178 4.386 1.00 0.00 C ATOM 741 CG2 VAL A 112 -4.249 6.055 3.227 1.00 0.00 C ATOM 0 H VAL A 112 -5.538 4.708 5.391 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.913 5.659 5.427 1.00 0.00 H new ATOM 0 HB VAL A 112 -5.537 6.976 4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -4.224 8.718 3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.973 8.748 5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -2.732 8.044 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.640 6.629 2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.181 5.887 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.764 5.096 3.281 1.00 0.00 H new ATOM 751 N SER A 113 -4.912 7.239 7.516 1.00 0.00 N ATOM 752 CA SER A 113 -4.942 8.081 8.696 1.00 0.00 C ATOM 753 C SER A 113 -4.189 7.429 9.863 1.00 0.00 C ATOM 754 O SER A 113 -3.413 8.093 10.548 1.00 0.00 O ATOM 755 CB SER A 113 -6.390 8.371 9.067 1.00 0.00 C ATOM 756 OG SER A 113 -7.086 8.866 7.930 1.00 0.00 O ATOM 0 H SER A 113 -5.835 6.979 7.168 1.00 0.00 H new ATOM 0 HA SER A 113 -4.435 9.021 8.476 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.870 7.464 9.433 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.429 9.101 9.876 1.00 0.00 H new ATOM 0 HG SER A 113 -7.502 8.119 7.450 1.00 0.00 H new ATOM 762 N ALA A 114 -4.356 6.108 10.017 1.00 0.00 N ATOM 763 CA ALA A 114 -3.710 5.356 11.090 1.00 0.00 C ATOM 764 C ALA A 114 -2.194 5.540 11.061 1.00 0.00 C ATOM 765 O ALA A 114 -1.588 6.005 12.039 1.00 0.00 O ATOM 766 CB ALA A 114 -4.060 3.876 10.999 1.00 0.00 C ATOM 0 H ALA A 114 -4.939 5.539 9.404 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.083 5.747 12.036 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.568 3.335 11.808 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.140 3.752 11.083 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.723 3.481 10.041 1.00 0.00 H new ATOM 772 N HIS A 115 -1.579 5.240 9.930 1.00 0.00 N ATOM 773 CA HIS A 115 -0.133 5.357 9.855 1.00 0.00 C ATOM 774 C HIS A 115 0.349 6.796 9.760 1.00 0.00 C ATOM 775 O HIS A 115 1.433 7.097 10.206 1.00 0.00 O ATOM 776 CB HIS A 115 0.547 4.443 8.795 1.00 0.00 C ATOM 777 CG HIS A 115 0.118 4.609 7.361 1.00 0.00 C ATOM 778 ND1 HIS A 115 0.428 5.712 6.582 1.00 0.00 N ATOM 779 CD2 HIS A 115 -0.561 3.770 6.553 1.00 0.00 C ATOM 780 CE1 HIS A 115 -0.046 5.530 5.361 1.00 0.00 C ATOM 781 NE2 HIS A 115 -0.648 4.356 5.323 1.00 0.00 N ATOM 0 H HIS A 115 -2.040 4.924 9.077 1.00 0.00 H new ATOM 0 HA HIS A 115 0.203 4.970 10.817 1.00 0.00 H new ATOM 0 HB2 HIS A 115 1.623 4.610 8.846 1.00 0.00 H new ATOM 0 HB3 HIS A 115 0.371 3.406 9.082 1.00 0.00 H new ATOM 0 HD1 HIS A 115 0.941 6.534 6.900 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -0.964 2.807 6.829 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.044 6.222 4.537 1.00 0.00 H new ATOM 790 N LEU A 116 -0.460 7.690 9.216 1.00 0.00 N ATOM 791 CA LEU A 116 -0.037 9.093 9.103 1.00 0.00 C ATOM 792 C LEU A 116 -0.121 9.826 10.438 1.00 0.00 C ATOM 793 O LEU A 116 0.565 10.821 10.654 1.00 0.00 O ATOM 794 CB LEU A 116 -0.801 9.851 8.017 1.00 0.00 C ATOM 795 CG LEU A 116 -0.565 9.404 6.567 1.00 0.00 C ATOM 796 CD1 LEU A 116 -1.325 10.304 5.618 1.00 0.00 C ATOM 797 CD2 LEU A 116 0.921 9.409 6.215 1.00 0.00 C ATOM 0 H LEU A 116 -1.391 7.487 8.852 1.00 0.00 H new ATOM 0 HA LEU A 116 1.010 9.066 8.802 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.867 9.767 8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.543 10.907 8.094 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.929 8.382 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.152 9.980 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.391 10.250 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.981 11.331 5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.051 9.087 5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.320 10.416 6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.454 8.727 6.877 1.00 0.00 H new ATOM 809 N LYS A 117 -0.967 9.352 11.329 1.00 0.00 N ATOM 810 CA LYS A 117 -1.038 9.938 12.656 1.00 0.00 C ATOM 811 C LYS A 117 -0.045 9.256 13.589 1.00 0.00 C ATOM 812 O LYS A 117 0.198 9.713 14.707 1.00 0.00 O ATOM 813 CB LYS A 117 -2.466 9.901 13.226 1.00 0.00 C ATOM 814 CG LYS A 117 -3.494 10.688 12.402 1.00 0.00 C ATOM 815 CD LYS A 117 -3.117 12.162 12.267 1.00 0.00 C ATOM 816 CE LYS A 117 -4.137 12.933 11.438 1.00 0.00 C ATOM 817 NZ LYS A 117 -3.787 14.371 11.313 1.00 0.00 N ATOM 0 H LYS A 117 -1.607 8.575 11.165 1.00 0.00 H new ATOM 0 HA LYS A 117 -0.764 10.990 12.573 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.791 8.863 13.295 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -2.450 10.298 14.241 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.579 10.244 11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.474 10.607 12.873 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.041 12.610 13.258 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.134 12.245 11.803 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.205 12.490 10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -5.121 12.839 11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -4.508 14.855 10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -3.748 14.802 12.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -2.860 14.464 10.851 1.00 0.00 H new ATOM 831 N SER A 118 0.509 8.153 13.131 1.00 0.00 N ATOM 832 CA SER A 118 1.543 7.466 13.870 1.00 0.00 C ATOM 833 C SER A 118 2.928 7.994 13.448 1.00 0.00 C ATOM 834 O SER A 118 3.798 8.246 14.288 1.00 0.00 O ATOM 835 CB SER A 118 1.444 5.956 13.641 1.00 0.00 C ATOM 836 OG SER A 118 0.162 5.461 14.029 1.00 0.00 O ATOM 0 H SER A 118 0.258 7.713 12.246 1.00 0.00 H new ATOM 0 HA SER A 118 1.408 7.658 14.934 1.00 0.00 H new ATOM 0 HB2 SER A 118 1.621 5.732 12.589 1.00 0.00 H new ATOM 0 HB3 SER A 118 2.222 5.447 14.210 1.00 0.00 H new ATOM 0 HG SER A 118 -0.471 5.578 13.290 1.00 0.00 H new ATOM 842 N VAL A 119 3.123 8.166 12.153 1.00 0.00 N ATOM 843 CA VAL A 119 4.367 8.680 11.631 1.00 0.00 C ATOM 844 C VAL A 119 4.105 9.809 10.600 1.00 0.00 C ATOM 845 O VAL A 119 3.857 9.565 9.419 1.00 0.00 O ATOM 846 CB VAL A 119 5.299 7.538 11.065 1.00 0.00 C ATOM 847 CG1 VAL A 119 4.635 6.718 9.958 1.00 0.00 C ATOM 848 CG2 VAL A 119 6.642 8.092 10.605 1.00 0.00 C ATOM 0 H VAL A 119 2.425 7.953 11.440 1.00 0.00 H new ATOM 0 HA VAL A 119 4.919 9.121 12.461 1.00 0.00 H new ATOM 0 HB VAL A 119 5.477 6.854 11.894 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.325 5.950 9.610 1.00 0.00 H new ATOM 0 HG12 VAL A 119 3.732 6.246 10.346 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.373 7.373 9.127 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.259 7.279 10.221 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.481 8.828 9.818 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.148 8.565 11.447 1.00 0.00 H new ATOM 858 N PRO A 120 4.115 11.072 11.062 1.00 0.00 N ATOM 859 CA PRO A 120 3.848 12.251 10.212 1.00 0.00 C ATOM 860 C PRO A 120 5.036 12.657 9.324 1.00 0.00 C ATOM 861 O PRO A 120 5.007 13.709 8.665 1.00 0.00 O ATOM 862 CB PRO A 120 3.539 13.368 11.228 1.00 0.00 C ATOM 863 CG PRO A 120 3.469 12.695 12.561 1.00 0.00 C ATOM 864 CD PRO A 120 4.324 11.474 12.454 1.00 0.00 C ATOM 0 HA PRO A 120 3.041 12.046 9.508 1.00 0.00 H new ATOM 0 HB2 PRO A 120 4.315 14.133 11.216 1.00 0.00 H new ATOM 0 HB3 PRO A 120 2.598 13.864 10.990 1.00 0.00 H new ATOM 0 HG2 PRO A 120 3.829 13.355 13.350 1.00 0.00 H new ATOM 0 HG3 PRO A 120 2.441 12.431 12.811 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.372 11.691 12.662 1.00 0.00 H new ATOM 0 HD3 PRO A 120 4.014 10.697 13.153 1.00 0.00 H new ATOM 872 N GLU A 121 6.037 11.793 9.269 1.00 0.00 N ATOM 873 CA GLU A 121 7.274 12.031 8.527 1.00 0.00 C ATOM 874 C GLU A 121 7.017 12.290 7.036 1.00 0.00 C ATOM 875 O GLU A 121 7.613 13.194 6.432 1.00 0.00 O ATOM 876 CB GLU A 121 8.216 10.841 8.702 1.00 0.00 C ATOM 877 CG GLU A 121 9.524 10.965 7.951 1.00 0.00 C ATOM 878 CD GLU A 121 10.440 9.812 8.205 1.00 0.00 C ATOM 879 OE1 GLU A 121 11.217 9.861 9.188 1.00 0.00 O ATOM 880 OE2 GLU A 121 10.432 8.856 7.420 1.00 0.00 O ATOM 0 H GLU A 121 6.017 10.891 9.745 1.00 0.00 H new ATOM 0 HA GLU A 121 7.736 12.931 8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.431 10.716 9.763 1.00 0.00 H new ATOM 0 HB3 GLU A 121 7.705 9.937 8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.321 11.035 6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 121 10.020 11.891 8.242 1.00 0.00 H new ATOM 887 N LEU A 122 6.130 11.523 6.455 1.00 0.00 N ATOM 888 CA LEU A 122 5.832 11.666 5.041 1.00 0.00 C ATOM 889 C LEU A 122 4.479 12.340 4.848 1.00 0.00 C ATOM 890 O LEU A 122 3.882 12.256 3.801 1.00 0.00 O ATOM 891 CB LEU A 122 5.871 10.304 4.320 1.00 0.00 C ATOM 892 CG LEU A 122 7.212 9.537 4.336 1.00 0.00 C ATOM 893 CD1 LEU A 122 7.096 8.258 3.524 1.00 0.00 C ATOM 894 CD2 LEU A 122 8.352 10.390 3.800 1.00 0.00 C ATOM 0 H LEU A 122 5.600 10.794 6.932 1.00 0.00 H new ATOM 0 HA LEU A 122 6.601 12.298 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 122 5.110 9.664 4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.585 10.463 3.280 1.00 0.00 H new ATOM 0 HG LEU A 122 7.437 9.288 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.048 7.727 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 122 6.319 7.625 3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.838 8.503 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 122 9.279 9.817 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 122 8.136 10.682 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.459 11.283 4.416 1.00 0.00 H new ATOM 906 N CYS A 123 4.026 13.031 5.858 1.00 0.00 N ATOM 907 CA CYS A 123 2.755 13.711 5.802 1.00 0.00 C ATOM 908 C CYS A 123 2.822 15.050 5.075 1.00 0.00 C ATOM 909 O CYS A 123 3.094 16.084 5.688 1.00 0.00 O ATOM 910 CB CYS A 123 2.186 13.880 7.196 1.00 0.00 C ATOM 911 SG CYS A 123 1.624 12.350 7.933 1.00 0.00 S ATOM 0 H CYS A 123 4.523 13.140 6.742 1.00 0.00 H new ATOM 0 HA CYS A 123 2.087 13.081 5.215 1.00 0.00 H new ATOM 0 HB2 CYS A 123 2.947 14.324 7.838 1.00 0.00 H new ATOM 0 HB3 CYS A 123 1.353 14.582 7.156 1.00 0.00 H new ATOM 0 HG CYS A 123 1.215 12.577 9.146 1.00 0.00 H new ATOM 917 N GLY A 124 2.630 15.007 3.777 1.00 0.00 N ATOM 918 CA GLY A 124 2.563 16.209 2.978 1.00 0.00 C ATOM 919 C GLY A 124 1.297 16.213 2.156 1.00 0.00 C ATOM 920 O GLY A 124 0.482 17.132 2.242 1.00 0.00 O ATOM 0 H GLY A 124 2.516 14.143 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 124 2.590 17.087 3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 124 3.432 16.269 2.323 1.00 0.00 H new ATOM 924 N SER A 125 1.111 15.172 1.394 1.00 0.00 N ATOM 925 CA SER A 125 -0.074 14.991 0.595 1.00 0.00 C ATOM 926 C SER A 125 -0.242 13.522 0.255 1.00 0.00 C ATOM 927 O SER A 125 0.689 12.738 0.404 1.00 0.00 O ATOM 928 CB SER A 125 -0.025 15.863 -0.673 1.00 0.00 C ATOM 929 OG SER A 125 1.193 15.683 -1.386 1.00 0.00 O ATOM 0 H SER A 125 1.787 14.413 1.307 1.00 0.00 H new ATOM 0 HA SER A 125 -0.942 15.313 1.170 1.00 0.00 H new ATOM 0 HB2 SER A 125 -0.866 15.613 -1.320 1.00 0.00 H new ATOM 0 HB3 SER A 125 -0.135 16.912 -0.398 1.00 0.00 H new ATOM 0 HG SER A 125 1.041 15.084 -2.147 1.00 0.00 H new ATOM 935 N VAL A 126 -1.414 13.151 -0.152 1.00 0.00 N ATOM 936 CA VAL A 126 -1.688 11.798 -0.525 1.00 0.00 C ATOM 937 C VAL A 126 -2.566 11.781 -1.775 1.00 0.00 C ATOM 938 O VAL A 126 -3.471 12.597 -1.923 1.00 0.00 O ATOM 939 CB VAL A 126 -2.348 10.990 0.661 1.00 0.00 C ATOM 940 CG1 VAL A 126 -3.672 11.597 1.113 1.00 0.00 C ATOM 941 CG2 VAL A 126 -2.521 9.512 0.314 1.00 0.00 C ATOM 0 H VAL A 126 -2.212 13.780 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 126 -0.746 11.300 -0.753 1.00 0.00 H new ATOM 0 HB VAL A 126 -1.655 11.061 1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -4.084 11.004 1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.506 12.619 1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -4.373 11.602 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.978 8.992 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -3.162 9.417 -0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -1.547 9.072 0.101 1.00 0.00 H new ATOM 951 N LYS A 127 -2.241 10.933 -2.695 1.00 0.00 N ATOM 952 CA LYS A 127 -3.056 10.744 -3.864 1.00 0.00 C ATOM 953 C LYS A 127 -3.755 9.420 -3.709 1.00 0.00 C ATOM 954 O LYS A 127 -3.104 8.408 -3.461 1.00 0.00 O ATOM 955 CB LYS A 127 -2.230 10.767 -5.167 1.00 0.00 C ATOM 956 CG LYS A 127 -1.652 12.122 -5.564 1.00 0.00 C ATOM 957 CD LYS A 127 -0.877 12.009 -6.877 1.00 0.00 C ATOM 958 CE LYS A 127 -0.178 13.313 -7.273 1.00 0.00 C ATOM 959 NZ LYS A 127 -1.114 14.364 -7.705 1.00 0.00 N ATOM 0 H LYS A 127 -1.405 10.349 -2.664 1.00 0.00 H new ATOM 0 HA LYS A 127 -3.769 11.564 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -1.408 10.058 -5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -2.861 10.410 -5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -2.456 12.850 -5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -0.993 12.488 -4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.133 11.217 -6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -1.561 11.714 -7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.403 13.678 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.527 13.110 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -0.816 14.736 -8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.071 13.965 -7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -1.117 15.135 -7.007 1.00 0.00 H new ATOM 973 N VAL A 128 -5.057 9.418 -3.811 1.00 0.00 N ATOM 974 CA VAL A 128 -5.817 8.197 -3.611 1.00 0.00 C ATOM 975 C VAL A 128 -6.506 7.759 -4.894 1.00 0.00 C ATOM 976 O VAL A 128 -7.092 8.575 -5.615 1.00 0.00 O ATOM 977 CB VAL A 128 -6.847 8.309 -2.441 1.00 0.00 C ATOM 978 CG1 VAL A 128 -6.147 8.621 -1.130 1.00 0.00 C ATOM 979 CG2 VAL A 128 -7.918 9.350 -2.726 1.00 0.00 C ATOM 0 H VAL A 128 -5.619 10.241 -4.030 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.095 7.432 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 128 -7.339 7.340 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -6.885 8.694 -0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.439 7.826 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -5.614 9.568 -1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -8.613 9.396 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -7.450 10.325 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.459 9.077 -3.632 1.00 0.00 H new ATOM 989 N GLY A 129 -6.392 6.499 -5.199 1.00 0.00 N ATOM 990 CA GLY A 129 -6.997 5.963 -6.376 1.00 0.00 C ATOM 991 C GLY A 129 -7.973 4.886 -6.014 1.00 0.00 C ATOM 992 O GLY A 129 -7.574 3.771 -5.653 1.00 0.00 O ATOM 0 H GLY A 129 -5.878 5.819 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.506 6.755 -6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -6.229 5.560 -7.037 1.00 0.00 H new ATOM 996 N ILE A 130 -9.231 5.214 -6.085 1.00 0.00 N ATOM 997 CA ILE A 130 -10.289 4.299 -5.726 1.00 0.00 C ATOM 998 C ILE A 130 -10.669 3.467 -6.928 1.00 0.00 C ATOM 999 O ILE A 130 -10.828 3.985 -8.028 1.00 0.00 O ATOM 1000 CB ILE A 130 -11.555 5.045 -5.137 1.00 0.00 C ATOM 1001 CG1 ILE A 130 -11.274 5.647 -3.743 1.00 0.00 C ATOM 1002 CG2 ILE A 130 -12.781 4.135 -5.066 1.00 0.00 C ATOM 1003 CD1 ILE A 130 -10.266 6.772 -3.713 1.00 0.00 C ATOM 0 H ILE A 130 -9.559 6.129 -6.395 1.00 0.00 H new ATOM 0 HA ILE A 130 -9.915 3.648 -4.936 1.00 0.00 H new ATOM 0 HB ILE A 130 -11.771 5.858 -5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -12.213 6.013 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -10.924 4.851 -3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -13.624 4.691 -4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -13.031 3.783 -6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -12.563 3.281 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -10.142 7.123 -2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -9.309 6.413 -4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -10.618 7.593 -4.337 1.00 0.00 H new ATOM 1015 N VAL A 131 -10.781 2.193 -6.715 1.00 0.00 N ATOM 1016 CA VAL A 131 -11.135 1.281 -7.752 1.00 0.00 C ATOM 1017 C VAL A 131 -12.400 0.541 -7.305 1.00 0.00 C ATOM 1018 O VAL A 131 -12.644 0.398 -6.103 1.00 0.00 O ATOM 1019 CB VAL A 131 -9.951 0.301 -8.045 1.00 0.00 C ATOM 1020 CG1 VAL A 131 -9.638 -0.592 -6.856 1.00 0.00 C ATOM 1021 CG2 VAL A 131 -10.177 -0.512 -9.313 1.00 0.00 C ATOM 0 H VAL A 131 -10.627 1.755 -5.807 1.00 0.00 H new ATOM 0 HA VAL A 131 -11.336 1.808 -8.685 1.00 0.00 H new ATOM 0 HB VAL A 131 -9.073 0.923 -8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -8.810 -1.255 -7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -9.363 0.025 -6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -10.516 -1.187 -6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -9.329 -1.177 -9.475 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -11.087 -1.103 -9.209 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -10.277 0.162 -10.164 1.00 0.00 H new ATOM 1031 N GLU A 132 -13.209 0.108 -8.234 1.00 0.00 N ATOM 1032 CA GLU A 132 -14.462 -0.547 -7.893 1.00 0.00 C ATOM 1033 C GLU A 132 -14.288 -2.060 -7.893 1.00 0.00 C ATOM 1034 O GLU A 132 -15.253 -2.829 -7.732 1.00 0.00 O ATOM 1035 CB GLU A 132 -15.564 -0.107 -8.859 1.00 0.00 C ATOM 1036 CG GLU A 132 -15.707 1.405 -8.919 1.00 0.00 C ATOM 1037 CD GLU A 132 -16.890 1.873 -9.712 1.00 0.00 C ATOM 1038 OE1 GLU A 132 -18.004 1.899 -9.152 1.00 0.00 O ATOM 1039 OE2 GLU A 132 -16.738 2.254 -10.896 1.00 0.00 O ATOM 0 H GLU A 132 -13.031 0.193 -9.235 1.00 0.00 H new ATOM 0 HA GLU A 132 -14.759 -0.250 -6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -15.344 -0.489 -9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -16.512 -0.548 -8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -15.786 1.793 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -14.801 1.829 -9.352 1.00 0.00 H new ATOM 1046 N GLU A 133 -13.054 -2.469 -8.048 1.00 0.00 N ATOM 1047 CA GLU A 133 -12.658 -3.851 -8.083 1.00 0.00 C ATOM 1048 C GLU A 133 -11.541 -4.070 -7.059 1.00 0.00 C ATOM 1049 O GLU A 133 -10.387 -3.748 -7.318 1.00 0.00 O ATOM 1050 CB GLU A 133 -12.182 -4.185 -9.488 1.00 0.00 C ATOM 1051 CG GLU A 133 -13.266 -3.992 -10.526 1.00 0.00 C ATOM 1052 CD GLU A 133 -12.770 -4.116 -11.926 1.00 0.00 C ATOM 1053 OE1 GLU A 133 -12.658 -5.241 -12.433 1.00 0.00 O ATOM 1054 OE2 GLU A 133 -12.502 -3.071 -12.562 1.00 0.00 O ATOM 0 H GLU A 133 -12.271 -1.824 -8.157 1.00 0.00 H new ATOM 0 HA GLU A 133 -13.494 -4.503 -7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -11.327 -3.556 -9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.836 -5.218 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -14.053 -4.727 -10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -13.716 -3.008 -10.393 1.00 0.00 H new ATOM 1061 N PRO A 134 -11.878 -4.604 -5.881 1.00 0.00 N ATOM 1062 CA PRO A 134 -10.933 -4.750 -4.754 1.00 0.00 C ATOM 1063 C PRO A 134 -10.082 -6.031 -4.828 1.00 0.00 C ATOM 1064 O PRO A 134 -9.701 -6.609 -3.800 1.00 0.00 O ATOM 1065 CB PRO A 134 -11.883 -4.815 -3.561 1.00 0.00 C ATOM 1066 CG PRO A 134 -13.083 -5.524 -4.085 1.00 0.00 C ATOM 1067 CD PRO A 134 -13.220 -5.119 -5.529 1.00 0.00 C ATOM 0 HA PRO A 134 -10.198 -3.946 -4.724 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -11.436 -5.354 -2.725 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -12.136 -3.818 -3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -12.966 -6.604 -3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -13.973 -5.251 -3.519 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -13.501 -5.965 -6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -13.988 -4.356 -5.659 1.00 0.00 H new ATOM 1075 N ASP A 135 -9.745 -6.442 -6.021 1.00 0.00 N ATOM 1076 CA ASP A 135 -8.961 -7.650 -6.201 1.00 0.00 C ATOM 1077 C ASP A 135 -7.483 -7.324 -6.068 1.00 0.00 C ATOM 1078 O ASP A 135 -7.031 -6.290 -6.564 1.00 0.00 O ATOM 1079 CB ASP A 135 -9.244 -8.293 -7.560 1.00 0.00 C ATOM 1080 CG ASP A 135 -8.494 -9.595 -7.757 1.00 0.00 C ATOM 1081 OD1 ASP A 135 -7.345 -9.568 -8.202 1.00 0.00 O ATOM 1082 OD2 ASP A 135 -9.054 -10.670 -7.468 1.00 0.00 O ATOM 0 H ASP A 135 -9.997 -5.964 -6.886 1.00 0.00 H new ATOM 0 HA ASP A 135 -9.244 -8.365 -5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -10.314 -8.477 -7.655 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -8.969 -7.596 -8.352 1.00 0.00 H new ATOM 1087 N LYS A 136 -6.730 -8.206 -5.416 1.00 0.00 N ATOM 1088 CA LYS A 136 -5.301 -7.989 -5.170 1.00 0.00 C ATOM 1089 C LYS A 136 -4.487 -7.802 -6.448 1.00 0.00 C ATOM 1090 O LYS A 136 -3.477 -7.100 -6.425 1.00 0.00 O ATOM 1091 CB LYS A 136 -4.687 -9.095 -4.287 1.00 0.00 C ATOM 1092 CG LYS A 136 -5.220 -9.132 -2.856 1.00 0.00 C ATOM 1093 CD LYS A 136 -4.875 -7.861 -2.061 1.00 0.00 C ATOM 1094 CE LYS A 136 -3.380 -7.746 -1.736 1.00 0.00 C ATOM 1095 NZ LYS A 136 -2.919 -8.804 -0.805 1.00 0.00 N ATOM 0 H LYS A 136 -7.087 -9.086 -5.044 1.00 0.00 H new ATOM 0 HA LYS A 136 -5.246 -7.048 -4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -4.873 -10.061 -4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -3.606 -8.959 -4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -6.302 -9.259 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -4.808 -10.000 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -5.186 -6.986 -2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -5.445 -7.854 -1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -2.805 -7.804 -2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -3.181 -6.768 -1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -1.954 -8.588 -0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -3.556 -8.845 0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -2.924 -9.722 -1.293 1.00 0.00 H new ATOM 1109 N ALA A 137 -4.925 -8.385 -7.554 1.00 0.00 N ATOM 1110 CA ALA A 137 -4.212 -8.231 -8.813 1.00 0.00 C ATOM 1111 C ALA A 137 -4.426 -6.836 -9.346 1.00 0.00 C ATOM 1112 O ALA A 137 -3.494 -6.185 -9.757 1.00 0.00 O ATOM 1113 CB ALA A 137 -4.651 -9.263 -9.840 1.00 0.00 C ATOM 0 H ALA A 137 -5.763 -8.964 -7.606 1.00 0.00 H new ATOM 0 HA ALA A 137 -3.151 -8.393 -8.625 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.095 -9.114 -10.766 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -4.455 -10.264 -9.456 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -5.718 -9.151 -10.035 1.00 0.00 H new ATOM 1119 N VAL A 138 -5.663 -6.365 -9.266 1.00 0.00 N ATOM 1120 CA VAL A 138 -6.024 -5.026 -9.735 1.00 0.00 C ATOM 1121 C VAL A 138 -5.329 -3.982 -8.860 1.00 0.00 C ATOM 1122 O VAL A 138 -4.778 -2.992 -9.357 1.00 0.00 O ATOM 1123 CB VAL A 138 -7.563 -4.795 -9.692 1.00 0.00 C ATOM 1124 CG1 VAL A 138 -7.928 -3.429 -10.261 1.00 0.00 C ATOM 1125 CG2 VAL A 138 -8.302 -5.891 -10.444 1.00 0.00 C ATOM 0 H VAL A 138 -6.444 -6.894 -8.877 1.00 0.00 H new ATOM 0 HA VAL A 138 -5.700 -4.932 -10.772 1.00 0.00 H new ATOM 0 HB VAL A 138 -7.870 -4.827 -8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -9.009 -3.294 -10.219 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -7.442 -2.649 -9.675 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -7.595 -3.365 -11.297 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -9.375 -5.704 -10.398 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -7.980 -5.899 -11.485 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -8.082 -6.857 -9.989 1.00 0.00 H new ATOM 1135 N LEU A 139 -5.336 -4.235 -7.558 1.00 0.00 N ATOM 1136 CA LEU A 139 -4.680 -3.368 -6.600 1.00 0.00 C ATOM 1137 C LEU A 139 -3.178 -3.311 -6.864 1.00 0.00 C ATOM 1138 O LEU A 139 -2.601 -2.231 -6.924 1.00 0.00 O ATOM 1139 CB LEU A 139 -4.957 -3.830 -5.159 1.00 0.00 C ATOM 1140 CG LEU A 139 -6.424 -3.799 -4.696 1.00 0.00 C ATOM 1141 CD1 LEU A 139 -6.547 -4.323 -3.277 1.00 0.00 C ATOM 1142 CD2 LEU A 139 -6.996 -2.394 -4.786 1.00 0.00 C ATOM 0 H LEU A 139 -5.796 -5.045 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 139 -5.089 -2.365 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -4.587 -4.850 -5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -4.373 -3.206 -4.483 1.00 0.00 H new ATOM 0 HG LEU A 139 -6.997 -4.445 -5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -7.592 -4.293 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -6.186 -5.350 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -5.952 -3.702 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -8.034 -2.402 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -6.416 -1.724 -4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -6.949 -2.047 -5.818 1.00 0.00 H new ATOM 1154 N THR A 140 -2.560 -4.465 -7.068 1.00 0.00 N ATOM 1155 CA THR A 140 -1.133 -4.519 -7.320 1.00 0.00 C ATOM 1156 C THR A 140 -0.805 -3.967 -8.718 1.00 0.00 C ATOM 1157 O THR A 140 0.272 -3.424 -8.941 1.00 0.00 O ATOM 1158 CB THR A 140 -0.581 -5.953 -7.153 1.00 0.00 C ATOM 1159 OG1 THR A 140 -0.944 -6.442 -5.842 1.00 0.00 O ATOM 1160 CG2 THR A 140 0.941 -5.973 -7.287 1.00 0.00 C ATOM 0 H THR A 140 -3.025 -5.373 -7.063 1.00 0.00 H new ATOM 0 HA THR A 140 -0.643 -3.889 -6.577 1.00 0.00 H new ATOM 0 HB THR A 140 -1.006 -6.585 -7.933 1.00 0.00 H new ATOM 0 HG1 THR A 140 -1.904 -6.636 -5.820 1.00 0.00 H new ATOM 0 HG21 THR A 140 1.304 -6.994 -7.165 1.00 0.00 H new ATOM 0 HG22 THR A 140 1.224 -5.602 -8.272 1.00 0.00 H new ATOM 0 HG23 THR A 140 1.382 -5.337 -6.519 1.00 0.00 H new ATOM 1168 N GLN A 141 -1.753 -4.086 -9.636 1.00 0.00 N ATOM 1169 CA GLN A 141 -1.595 -3.562 -10.980 1.00 0.00 C ATOM 1170 C GLN A 141 -1.405 -2.062 -10.910 1.00 0.00 C ATOM 1171 O GLN A 141 -0.396 -1.541 -11.383 1.00 0.00 O ATOM 1172 CB GLN A 141 -2.806 -3.903 -11.853 1.00 0.00 C ATOM 1173 CG GLN A 141 -2.654 -3.504 -13.311 1.00 0.00 C ATOM 1174 CD GLN A 141 -3.889 -3.804 -14.136 1.00 0.00 C ATOM 1175 OE1 GLN A 141 -5.028 -3.768 -13.639 1.00 0.00 O ATOM 1176 NE2 GLN A 141 -3.688 -4.122 -15.381 1.00 0.00 N ATOM 0 H GLN A 141 -2.648 -4.546 -9.469 1.00 0.00 H new ATOM 0 HA GLN A 141 -0.719 -4.023 -11.435 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -2.988 -4.976 -11.799 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -3.687 -3.409 -11.442 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.434 -2.438 -13.370 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -1.801 -4.030 -13.739 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -2.740 -4.141 -15.756 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -4.479 -4.352 -15.983 1.00 0.00 H new ATOM 1185 N ALA A 142 -2.345 -1.395 -10.259 1.00 0.00 N ATOM 1186 CA ALA A 142 -2.297 0.041 -10.082 1.00 0.00 C ATOM 1187 C ALA A 142 -1.067 0.430 -9.256 1.00 0.00 C ATOM 1188 O ALA A 142 -0.376 1.392 -9.580 1.00 0.00 O ATOM 1189 CB ALA A 142 -3.579 0.522 -9.423 1.00 0.00 C ATOM 0 H ALA A 142 -3.162 -1.838 -9.839 1.00 0.00 H new ATOM 0 HA ALA A 142 -2.212 0.523 -11.056 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -3.537 1.603 -9.292 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -4.431 0.265 -10.053 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -3.690 0.043 -8.450 1.00 0.00 H new ATOM 1195 N TRP A 143 -0.791 -0.366 -8.214 1.00 0.00 N ATOM 1196 CA TRP A 143 0.381 -0.194 -7.343 1.00 0.00 C ATOM 1197 C TRP A 143 1.652 -0.149 -8.202 1.00 0.00 C ATOM 1198 O TRP A 143 2.484 0.732 -8.038 1.00 0.00 O ATOM 1199 CB TRP A 143 0.441 -1.383 -6.350 1.00 0.00 C ATOM 1200 CG TRP A 143 1.533 -1.342 -5.310 1.00 0.00 C ATOM 1201 CD1 TRP A 143 1.469 -0.757 -4.080 1.00 0.00 C ATOM 1202 CD2 TRP A 143 2.838 -1.947 -5.395 1.00 0.00 C ATOM 1203 NE1 TRP A 143 2.651 -0.945 -3.406 1.00 0.00 N ATOM 1204 CE2 TRP A 143 3.506 -1.668 -4.192 1.00 0.00 C ATOM 1205 CE3 TRP A 143 3.503 -2.686 -6.376 1.00 0.00 C ATOM 1206 CZ2 TRP A 143 4.806 -2.105 -3.938 1.00 0.00 C ATOM 1207 CZ3 TRP A 143 4.796 -3.118 -6.127 1.00 0.00 C ATOM 1208 CH2 TRP A 143 5.436 -2.822 -4.914 1.00 0.00 C ATOM 0 H TRP A 143 -1.380 -1.155 -7.949 1.00 0.00 H new ATOM 0 HA TRP A 143 0.305 0.739 -6.785 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -0.518 -1.445 -5.835 1.00 0.00 H new ATOM 0 HB3 TRP A 143 0.553 -2.302 -6.926 1.00 0.00 H new ATOM 0 HD1 TRP A 143 0.614 -0.224 -3.692 1.00 0.00 H new ATOM 0 HE1 TRP A 143 2.858 -0.600 -2.469 1.00 0.00 H new ATOM 0 HE3 TRP A 143 3.018 -2.917 -7.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 5.297 -1.884 -3.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 5.319 -3.691 -6.878 1.00 0.00 H new ATOM 0 HH2 TRP A 143 6.446 -3.168 -4.749 1.00 0.00 H new ATOM 1219 N LYS A 144 1.754 -1.095 -9.134 1.00 0.00 N ATOM 1220 CA LYS A 144 2.873 -1.200 -10.069 1.00 0.00 C ATOM 1221 C LYS A 144 3.072 0.034 -10.903 1.00 0.00 C ATOM 1222 O LYS A 144 4.178 0.533 -10.967 1.00 0.00 O ATOM 1223 CB LYS A 144 2.716 -2.402 -10.965 1.00 0.00 C ATOM 1224 CG LYS A 144 3.249 -3.690 -10.379 1.00 0.00 C ATOM 1225 CD LYS A 144 4.638 -4.023 -10.913 1.00 0.00 C ATOM 1226 CE LYS A 144 4.574 -4.374 -12.402 1.00 0.00 C ATOM 1227 NZ LYS A 144 5.904 -4.642 -12.987 1.00 0.00 N ATOM 0 H LYS A 144 1.050 -1.822 -9.263 1.00 0.00 H new ATOM 0 HA LYS A 144 3.764 -1.316 -9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 144 1.659 -2.532 -11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 144 3.227 -2.207 -11.908 1.00 0.00 H new ATOM 0 HG2 LYS A 144 3.288 -3.607 -9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 144 2.565 -4.506 -10.612 1.00 0.00 H new ATOM 0 HD2 LYS A 144 5.304 -3.174 -10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 144 5.057 -4.860 -10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 144 3.940 -5.250 -12.537 1.00 0.00 H new ATOM 0 HE3 LYS A 144 4.103 -3.554 -12.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 5.922 -4.314 -13.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 6.631 -4.137 -12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 6.096 -5.664 -12.958 1.00 0.00 H new ATOM 1241 N LEU A 145 2.016 0.528 -11.546 1.00 0.00 N ATOM 1242 CA LEU A 145 2.146 1.738 -12.362 1.00 0.00 C ATOM 1243 C LEU A 145 2.661 2.884 -11.522 1.00 0.00 C ATOM 1244 O LEU A 145 3.649 3.526 -11.878 1.00 0.00 O ATOM 1245 CB LEU A 145 0.830 2.156 -13.038 1.00 0.00 C ATOM 1246 CG LEU A 145 0.359 1.390 -14.296 1.00 0.00 C ATOM 1247 CD1 LEU A 145 1.410 1.395 -15.370 1.00 0.00 C ATOM 1248 CD2 LEU A 145 -0.101 -0.018 -13.994 1.00 0.00 C ATOM 0 H LEU A 145 1.080 0.122 -11.522 1.00 0.00 H new ATOM 0 HA LEU A 145 2.856 1.498 -13.153 1.00 0.00 H new ATOM 0 HB2 LEU A 145 0.039 2.082 -12.292 1.00 0.00 H new ATOM 0 HB3 LEU A 145 0.918 3.209 -13.307 1.00 0.00 H new ATOM 0 HG LEU A 145 -0.512 1.929 -14.668 1.00 0.00 H new ATOM 0 HD11 LEU A 145 1.045 0.848 -16.239 1.00 0.00 H new ATOM 0 HD12 LEU A 145 1.633 2.423 -15.656 1.00 0.00 H new ATOM 0 HD13 LEU A 145 2.316 0.918 -14.995 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -0.419 -0.503 -14.917 1.00 0.00 H new ATOM 0 HD22 LEU A 145 0.720 -0.582 -13.552 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -0.937 0.014 -13.295 1.00 0.00 H new ATOM 1260 N TRP A 146 2.017 3.072 -10.384 1.00 0.00 N ATOM 1261 CA TRP A 146 2.342 4.119 -9.432 1.00 0.00 C ATOM 1262 C TRP A 146 3.784 4.035 -8.954 1.00 0.00 C ATOM 1263 O TRP A 146 4.541 5.034 -9.011 1.00 0.00 O ATOM 1264 CB TRP A 146 1.400 4.037 -8.232 1.00 0.00 C ATOM 1265 CG TRP A 146 0.000 4.495 -8.511 1.00 0.00 C ATOM 1266 CD1 TRP A 146 -0.668 4.477 -9.703 1.00 0.00 C ATOM 1267 CD2 TRP A 146 -0.901 5.033 -7.563 1.00 0.00 C ATOM 1268 NE1 TRP A 146 -1.919 5.002 -9.545 1.00 0.00 N ATOM 1269 CE2 TRP A 146 -2.087 5.347 -8.238 1.00 0.00 C ATOM 1270 CE3 TRP A 146 -0.818 5.288 -6.205 1.00 0.00 C ATOM 1271 CZ2 TRP A 146 -3.174 5.908 -7.596 1.00 0.00 C ATOM 1272 CZ3 TRP A 146 -1.900 5.844 -5.575 1.00 0.00 C ATOM 1273 CH2 TRP A 146 -3.062 6.146 -6.264 1.00 0.00 C ATOM 0 H TRP A 146 1.235 2.487 -10.089 1.00 0.00 H new ATOM 0 HA TRP A 146 2.218 5.074 -9.943 1.00 0.00 H new ATOM 0 HB2 TRP A 146 1.369 3.006 -7.880 1.00 0.00 H new ATOM 0 HB3 TRP A 146 1.811 4.638 -7.421 1.00 0.00 H new ATOM 0 HD1 TRP A 146 -0.266 4.103 -10.633 1.00 0.00 H new ATOM 0 HE1 TRP A 146 -2.613 5.117 -10.284 1.00 0.00 H new ATOM 0 HE3 TRP A 146 0.081 5.054 -5.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 146 -4.079 6.148 -8.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 146 -1.845 6.051 -4.517 1.00 0.00 H new ATOM 0 HH2 TRP A 146 -3.896 6.579 -5.732 1.00 0.00 H new ATOM 1284 N ILE A 147 4.181 2.865 -8.492 1.00 0.00 N ATOM 1285 CA ILE A 147 5.508 2.710 -7.982 1.00 0.00 C ATOM 1286 C ILE A 147 6.543 2.776 -9.097 1.00 0.00 C ATOM 1287 O ILE A 147 7.461 3.592 -9.023 1.00 0.00 O ATOM 1288 CB ILE A 147 5.717 1.435 -7.079 1.00 0.00 C ATOM 1289 CG1 ILE A 147 7.118 1.457 -6.463 1.00 0.00 C ATOM 1290 CG2 ILE A 147 5.491 0.133 -7.845 1.00 0.00 C ATOM 1291 CD1 ILE A 147 7.426 0.281 -5.575 1.00 0.00 C ATOM 0 H ILE A 147 3.604 2.024 -8.464 1.00 0.00 H new ATOM 0 HA ILE A 147 5.657 3.559 -7.315 1.00 0.00 H new ATOM 0 HB ILE A 147 4.969 1.469 -6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 147 7.854 1.493 -7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 147 7.233 2.374 -5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 147 5.648 -0.714 -7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 147 4.471 0.109 -8.229 1.00 0.00 H new ATOM 0 HG23 ILE A 147 6.193 0.074 -8.677 1.00 0.00 H new ATOM 0 HD11 ILE A 147 8.438 0.377 -5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 147 6.716 0.254 -4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 147 7.347 -0.641 -6.151 1.00 0.00 H new ATOM 1303 N GLU A 148 6.361 1.990 -10.166 1.00 0.00 N ATOM 1304 CA GLU A 148 7.363 1.920 -11.210 1.00 0.00 C ATOM 1305 C GLU A 148 7.585 3.250 -11.922 1.00 0.00 C ATOM 1306 O GLU A 148 8.725 3.550 -12.301 1.00 0.00 O ATOM 1307 CB GLU A 148 7.114 0.781 -12.190 1.00 0.00 C ATOM 1308 CG GLU A 148 7.046 -0.585 -11.517 1.00 0.00 C ATOM 1309 CD GLU A 148 6.965 -1.716 -12.492 1.00 0.00 C ATOM 1310 OE1 GLU A 148 6.072 -1.730 -13.339 1.00 0.00 O ATOM 1311 OE2 GLU A 148 7.802 -2.624 -12.442 1.00 0.00 O ATOM 0 H GLU A 148 5.539 1.406 -10.320 1.00 0.00 H new ATOM 0 HA GLU A 148 8.297 1.693 -10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 148 6.180 0.964 -12.721 1.00 0.00 H new ATOM 0 HB3 GLU A 148 7.908 0.772 -12.936 1.00 0.00 H new ATOM 0 HG2 GLU A 148 7.926 -0.718 -10.888 1.00 0.00 H new ATOM 0 HG3 GLU A 148 6.177 -0.617 -10.860 1.00 0.00 H new ATOM 1318 N GLU A 149 6.537 4.080 -12.073 1.00 0.00 N ATOM 1319 CA GLU A 149 6.746 5.378 -12.694 1.00 0.00 C ATOM 1320 C GLU A 149 7.678 6.232 -11.831 1.00 0.00 C ATOM 1321 O GLU A 149 8.635 6.832 -12.342 1.00 0.00 O ATOM 1322 CB GLU A 149 5.442 6.128 -13.075 1.00 0.00 C ATOM 1323 CG GLU A 149 4.508 6.491 -11.929 1.00 0.00 C ATOM 1324 CD GLU A 149 3.382 7.395 -12.383 1.00 0.00 C ATOM 1325 OE1 GLU A 149 3.604 8.628 -12.435 1.00 0.00 O ATOM 1326 OE2 GLU A 149 2.281 6.904 -12.729 1.00 0.00 O ATOM 0 H GLU A 149 5.580 3.878 -11.784 1.00 0.00 H new ATOM 0 HA GLU A 149 7.228 5.187 -13.653 1.00 0.00 H new ATOM 0 HB2 GLU A 149 5.716 7.046 -13.596 1.00 0.00 H new ATOM 0 HB3 GLU A 149 4.889 5.512 -13.784 1.00 0.00 H new ATOM 0 HG2 GLU A 149 4.091 5.581 -11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 149 5.076 6.986 -11.141 1.00 0.00 H new ATOM 1333 N HIS A 150 7.464 6.210 -10.511 1.00 0.00 N ATOM 1334 CA HIS A 150 8.326 6.957 -9.605 1.00 0.00 C ATOM 1335 C HIS A 150 9.681 6.310 -9.405 1.00 0.00 C ATOM 1336 O HIS A 150 10.651 7.005 -9.110 1.00 0.00 O ATOM 1337 CB HIS A 150 7.658 7.316 -8.275 1.00 0.00 C ATOM 1338 CG HIS A 150 6.811 8.545 -8.367 1.00 0.00 C ATOM 1339 ND1 HIS A 150 7.200 9.774 -7.873 1.00 0.00 N ATOM 1340 CD2 HIS A 150 5.589 8.726 -8.882 1.00 0.00 C ATOM 1341 CE1 HIS A 150 6.232 10.650 -8.082 1.00 0.00 C ATOM 1342 NE2 HIS A 150 5.247 10.040 -8.695 1.00 0.00 N ATOM 0 H HIS A 150 6.713 5.690 -10.057 1.00 0.00 H new ATOM 0 HA HIS A 150 8.505 7.904 -10.114 1.00 0.00 H new ATOM 0 HB2 HIS A 150 7.042 6.479 -7.945 1.00 0.00 H new ATOM 0 HB3 HIS A 150 8.426 7.465 -7.516 1.00 0.00 H new ATOM 0 HD2 HIS A 150 4.981 7.972 -9.359 1.00 0.00 H new ATOM 0 HE1 HIS A 150 6.250 11.691 -7.796 1.00 0.00 H new ATOM 0 HE2 HIS A 150 4.370 10.472 -8.985 1.00 0.00 H new ATOM 1351 N ILE A 151 9.763 5.003 -9.555 1.00 0.00 N ATOM 1352 CA ILE A 151 11.052 4.298 -9.486 1.00 0.00 C ATOM 1353 C ILE A 151 11.964 4.790 -10.603 1.00 0.00 C ATOM 1354 O ILE A 151 13.124 5.122 -10.375 1.00 0.00 O ATOM 1355 CB ILE A 151 10.897 2.742 -9.599 1.00 0.00 C ATOM 1356 CG1 ILE A 151 10.086 2.172 -8.436 1.00 0.00 C ATOM 1357 CG2 ILE A 151 12.254 2.042 -9.684 1.00 0.00 C ATOM 1358 CD1 ILE A 151 10.683 2.428 -7.069 1.00 0.00 C ATOM 0 H ILE A 151 8.960 4.398 -9.726 1.00 0.00 H new ATOM 0 HA ILE A 151 11.484 4.516 -8.509 1.00 0.00 H new ATOM 0 HB ILE A 151 10.355 2.549 -10.525 1.00 0.00 H new ATOM 0 HG12 ILE A 151 9.083 2.598 -8.466 1.00 0.00 H new ATOM 0 HG13 ILE A 151 9.980 1.096 -8.576 1.00 0.00 H new ATOM 0 HG21 ILE A 151 12.104 0.965 -9.761 1.00 0.00 H new ATOM 0 HG22 ILE A 151 12.792 2.397 -10.563 1.00 0.00 H new ATOM 0 HG23 ILE A 151 12.835 2.264 -8.789 1.00 0.00 H new ATOM 0 HD11 ILE A 151 10.042 1.989 -6.304 1.00 0.00 H new ATOM 0 HD12 ILE A 151 11.674 1.977 -7.015 1.00 0.00 H new ATOM 0 HD13 ILE A 151 10.763 3.502 -6.902 1.00 0.00 H new ATOM 1370 N LYS A 152 11.411 4.887 -11.786 1.00 0.00 N ATOM 1371 CA LYS A 152 12.174 5.292 -12.945 1.00 0.00 C ATOM 1372 C LYS A 152 12.599 6.762 -12.887 1.00 0.00 C ATOM 1373 O LYS A 152 13.726 7.094 -13.263 1.00 0.00 O ATOM 1374 CB LYS A 152 11.409 4.956 -14.217 1.00 0.00 C ATOM 1375 CG LYS A 152 11.157 3.464 -14.346 1.00 0.00 C ATOM 1376 CD LYS A 152 10.293 3.112 -15.536 1.00 0.00 C ATOM 1377 CE LYS A 152 9.976 1.619 -15.528 1.00 0.00 C ATOM 1378 NZ LYS A 152 9.017 1.237 -16.576 1.00 0.00 N ATOM 0 H LYS A 152 10.428 4.690 -11.975 1.00 0.00 H new ATOM 0 HA LYS A 152 13.105 4.725 -12.950 1.00 0.00 H new ATOM 0 HB2 LYS A 152 10.457 5.487 -14.220 1.00 0.00 H new ATOM 0 HB3 LYS A 152 11.972 5.306 -15.083 1.00 0.00 H new ATOM 0 HG2 LYS A 152 12.112 2.946 -14.431 1.00 0.00 H new ATOM 0 HG3 LYS A 152 10.678 3.102 -13.436 1.00 0.00 H new ATOM 0 HD2 LYS A 152 9.368 3.689 -15.508 1.00 0.00 H new ATOM 0 HD3 LYS A 152 10.806 3.378 -16.460 1.00 0.00 H new ATOM 0 HE2 LYS A 152 10.899 1.055 -15.663 1.00 0.00 H new ATOM 0 HE3 LYS A 152 9.573 1.343 -14.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 8.837 0.214 -16.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 8.125 1.753 -16.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 9.410 1.474 -17.509 1.00 0.00 H new ATOM 1392 N VAL A 153 11.737 7.628 -12.381 1.00 0.00 N ATOM 1393 CA VAL A 153 12.086 9.046 -12.294 1.00 0.00 C ATOM 1394 C VAL A 153 12.809 9.425 -10.983 1.00 0.00 C ATOM 1395 O VAL A 153 13.950 9.874 -11.004 1.00 0.00 O ATOM 1396 CB VAL A 153 10.874 10.007 -12.595 1.00 0.00 C ATOM 1397 CG1 VAL A 153 9.667 9.717 -11.718 1.00 0.00 C ATOM 1398 CG2 VAL A 153 11.289 11.458 -12.446 1.00 0.00 C ATOM 0 H VAL A 153 10.810 7.388 -12.030 1.00 0.00 H new ATOM 0 HA VAL A 153 12.809 9.199 -13.096 1.00 0.00 H new ATOM 0 HB VAL A 153 10.578 9.821 -13.627 1.00 0.00 H new ATOM 0 HG11 VAL A 153 8.862 10.408 -11.967 1.00 0.00 H new ATOM 0 HG12 VAL A 153 9.332 8.693 -11.887 1.00 0.00 H new ATOM 0 HG13 VAL A 153 9.940 9.841 -10.670 1.00 0.00 H new ATOM 0 HG21 VAL A 153 10.437 12.104 -12.658 1.00 0.00 H new ATOM 0 HG22 VAL A 153 11.633 11.635 -11.427 1.00 0.00 H new ATOM 0 HG23 VAL A 153 12.095 11.679 -13.145 1.00 0.00 H new ATOM 1408 N THR A 154 12.168 9.214 -9.861 1.00 0.00 N ATOM 1409 CA THR A 154 12.718 9.645 -8.594 1.00 0.00 C ATOM 1410 C THR A 154 13.581 8.580 -7.924 1.00 0.00 C ATOM 1411 O THR A 154 14.502 8.897 -7.177 1.00 0.00 O ATOM 1412 CB THR A 154 11.603 10.147 -7.654 1.00 0.00 C ATOM 1413 OG1 THR A 154 10.519 9.188 -7.576 1.00 0.00 O ATOM 1414 CG2 THR A 154 11.059 11.450 -8.157 1.00 0.00 C ATOM 0 H THR A 154 11.264 8.746 -9.796 1.00 0.00 H new ATOM 0 HA THR A 154 13.386 10.479 -8.809 1.00 0.00 H new ATOM 0 HB THR A 154 12.035 10.278 -6.662 1.00 0.00 H new ATOM 0 HG1 THR A 154 10.813 8.331 -7.949 1.00 0.00 H new ATOM 0 HG21 THR A 154 10.272 11.798 -7.488 1.00 0.00 H new ATOM 0 HG22 THR A 154 11.859 12.189 -8.192 1.00 0.00 H new ATOM 0 HG23 THR A 154 10.650 11.311 -9.158 1.00 0.00 H new ATOM 1422 N GLY A 155 13.270 7.332 -8.196 1.00 0.00 N ATOM 1423 CA GLY A 155 14.058 6.223 -7.646 1.00 0.00 C ATOM 1424 C GLY A 155 13.864 6.041 -6.156 1.00 0.00 C ATOM 1425 O GLY A 155 14.805 5.694 -5.435 1.00 0.00 O ATOM 0 H GLY A 155 12.488 7.049 -8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 155 13.783 5.301 -8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 155 15.114 6.399 -7.850 1.00 0.00 H new ATOM 1429 N LYS A 156 12.667 6.293 -5.697 1.00 0.00 N ATOM 1430 CA LYS A 156 12.345 6.235 -4.282 1.00 0.00 C ATOM 1431 C LYS A 156 11.948 4.822 -3.883 1.00 0.00 C ATOM 1432 O LYS A 156 10.946 4.304 -4.365 1.00 0.00 O ATOM 1433 CB LYS A 156 11.174 7.165 -3.999 1.00 0.00 C ATOM 1434 CG LYS A 156 11.401 8.619 -4.376 1.00 0.00 C ATOM 1435 CD LYS A 156 12.367 9.326 -3.449 1.00 0.00 C ATOM 1436 CE LYS A 156 12.414 10.808 -3.780 1.00 0.00 C ATOM 1437 NZ LYS A 156 13.177 11.588 -2.791 1.00 0.00 N ATOM 0 H LYS A 156 11.878 6.546 -6.292 1.00 0.00 H new ATOM 0 HA LYS A 156 13.223 6.537 -3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 156 10.300 6.798 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 156 10.938 7.114 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 156 11.782 8.669 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 156 10.446 9.145 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 156 12.058 9.186 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 156 13.362 8.891 -3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 156 12.861 10.942 -4.765 1.00 0.00 H new ATOM 0 HE3 LYS A 156 11.397 11.196 -3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 13.148 12.596 -3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 12.758 11.458 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 14.164 11.262 -2.779 1.00 0.00 H new ATOM 1451 N VAL A 157 12.738 4.195 -3.038 1.00 0.00 N ATOM 1452 CA VAL A 157 12.408 2.875 -2.530 1.00 0.00 C ATOM 1453 C VAL A 157 12.640 2.880 -1.007 1.00 0.00 C ATOM 1454 O VAL A 157 13.751 2.617 -0.535 1.00 0.00 O ATOM 1455 CB VAL A 157 13.253 1.720 -3.173 1.00 0.00 C ATOM 1456 CG1 VAL A 157 12.641 0.364 -2.851 1.00 0.00 C ATOM 1457 CG2 VAL A 157 13.407 1.884 -4.677 1.00 0.00 C ATOM 0 H VAL A 157 13.616 4.577 -2.686 1.00 0.00 H new ATOM 0 HA VAL A 157 11.368 2.675 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 157 14.250 1.776 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 157 13.242 -0.424 -3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 157 12.616 0.223 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 157 11.626 0.320 -3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 157 13.999 1.060 -5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 157 12.423 1.882 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 157 13.909 2.828 -4.891 1.00 0.00 H new ATOM 1467 N PRO A 158 11.628 3.269 -0.226 1.00 0.00 N ATOM 1468 CA PRO A 158 11.740 3.363 1.223 1.00 0.00 C ATOM 1469 C PRO A 158 11.400 2.031 1.926 1.00 0.00 C ATOM 1470 O PRO A 158 10.612 1.227 1.394 1.00 0.00 O ATOM 1471 CB PRO A 158 10.689 4.416 1.546 1.00 0.00 C ATOM 1472 CG PRO A 158 9.605 4.136 0.580 1.00 0.00 C ATOM 1473 CD PRO A 158 10.287 3.677 -0.690 1.00 0.00 C ATOM 0 HA PRO A 158 12.749 3.604 1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 158 10.340 4.331 2.575 1.00 0.00 H new ATOM 0 HB3 PRO A 158 11.083 5.425 1.425 1.00 0.00 H new ATOM 0 HG2 PRO A 158 8.932 3.368 0.961 1.00 0.00 H new ATOM 0 HG3 PRO A 158 9.003 5.027 0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 158 9.753 2.849 -1.157 1.00 0.00 H new ATOM 0 HD3 PRO A 158 10.343 4.477 -1.428 1.00 0.00 H new ATOM 1481 N PRO A 159 11.966 1.788 3.142 1.00 0.00 N ATOM 1482 CA PRO A 159 11.753 0.539 3.922 1.00 0.00 C ATOM 1483 C PRO A 159 10.261 0.187 4.114 1.00 0.00 C ATOM 1484 O PRO A 159 9.908 -0.975 4.269 1.00 0.00 O ATOM 1485 CB PRO A 159 12.385 0.860 5.275 1.00 0.00 C ATOM 1486 CG PRO A 159 13.434 1.858 4.965 1.00 0.00 C ATOM 1487 CD PRO A 159 12.890 2.704 3.850 1.00 0.00 C ATOM 0 HA PRO A 159 12.182 -0.324 3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 159 11.649 1.261 5.972 1.00 0.00 H new ATOM 0 HB3 PRO A 159 12.809 -0.032 5.737 1.00 0.00 H new ATOM 0 HG2 PRO A 159 13.663 2.467 5.840 1.00 0.00 H new ATOM 0 HG3 PRO A 159 14.361 1.369 4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 159 12.371 3.584 4.230 1.00 0.00 H new ATOM 0 HD3 PRO A 159 13.683 3.061 3.193 1.00 0.00 H new ATOM 1495 N GLY A 160 9.404 1.216 4.104 1.00 0.00 N ATOM 1496 CA GLY A 160 7.968 1.022 4.226 1.00 0.00 C ATOM 1497 C GLY A 160 7.385 0.245 3.081 1.00 0.00 C ATOM 1498 O GLY A 160 6.492 -0.574 3.269 1.00 0.00 O ATOM 0 H GLY A 160 9.689 2.191 4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 160 7.755 0.500 5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 160 7.479 1.994 4.286 1.00 0.00 H new ATOM 1502 N ASN A 161 7.896 0.492 1.905 1.00 0.00 N ATOM 1503 CA ASN A 161 7.390 -0.144 0.702 1.00 0.00 C ATOM 1504 C ASN A 161 8.193 -1.392 0.401 1.00 0.00 C ATOM 1505 O ASN A 161 7.708 -2.324 -0.240 1.00 0.00 O ATOM 1506 CB ASN A 161 7.463 0.832 -0.476 1.00 0.00 C ATOM 1507 CG ASN A 161 6.940 0.245 -1.766 1.00 0.00 C ATOM 1508 OD1 ASN A 161 7.683 -0.348 -2.537 1.00 0.00 O ATOM 1509 ND2 ASN A 161 5.656 0.383 -2.001 1.00 0.00 N ATOM 0 H ASN A 161 8.671 1.135 1.746 1.00 0.00 H new ATOM 0 HA ASN A 161 6.349 -0.426 0.859 1.00 0.00 H new ATOM 0 HB2 ASN A 161 6.891 1.728 -0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 161 8.498 1.143 -0.619 1.00 0.00 H new ATOM 0 HD21 ASN A 161 5.248 -0.010 -2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 161 5.067 0.884 -1.336 1.00 0.00 H new