USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 776 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 TYR OH : rot -126:sc= 0.205 USER MOD Set 1.2: A 78 THR OG1 : rot 161:sc= 0.442 USER MOD Set 2.1: A 63 ASN : amide:sc= 0.427 K(o=1.6,f=-3.7) USER MOD Set 2.2: A 74 TYR OH : rot 143:sc= 1.2 USER MOD Set 3.1: A 46 TYR OH : rot -144:sc= 0.635 USER MOD Set 3.2: A 79 LYS NZ :NH3+ 138:sc= 0.421 (180deg=-0.0329) USER MOD Set 4.1: A 19 THR OG1 : rot -125:sc= 1 USER MOD Set 4.2: A 31 ASN : amide:sc= 1.59 K(o=2.6,f=-8.4!) USER MOD Set 5.1: A 1 GLY N :NH3+ 177:sc= 0.571 (180deg=0) USER MOD Set 5.2: A 96 THR OG1 : rot 72:sc= 1.77 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.09) USER MOD Single : A 8 THR OG1 : rot 13:sc= 0.982 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -53:sc= 0.0645 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.015 USER MOD Single : A 16 GLN : amide:sc= 0.556 K(o=0.56,f=-0.19) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.233 USER MOD Single : A 18 HIS : no HE2:sc= 0.405 K(o=0.41,f=-2!) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -0.292 F(o=-1.4,f=-0.29) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 0.877 (180deg=0.508) USER MOD Single : A 33 HIS : no HE2:sc= 0.3 K(o=0.3,f=-1.2) USER MOD Single : A 39 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.23) USER MOD Single : A 40 SER OG : rot 103:sc= 1.89 USER MOD Single : A 42 GLN : amide:sc= -0.0215 K(o=-0.021,f=-5.9!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A 52 ASN : amide:sc= -0.844 K(o=-0.84,f=-6.8!) USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= 1.26 (180deg=1.15) USER MOD Single : A 55 LYS NZ :NH3+ -123:sc= 1.22 (180deg=-0.717) USER MOD Single : A 56 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.076) USER MOD Single : A 62 ASN : amide:sc= 0.908 K(o=0.91,f=0) USER MOD Single : A 64 MET CE :methyl 178:sc= -0.856 (180deg=-0.896) USER MOD Single : A 65 SER OG : rot -38:sc= 1.28 USER MOD Single : A 69 THR OG1 : rot 68:sc= 1.22 USER MOD Single : A 70 ASN : amide:sc= -0.0456 K(o=-0.046,f=-2.4!) USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.17) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.106 (180deg=-0.106) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 149:sc= 0.337 (180deg=-0.523!) USER MOD Single : A 89 LYS NZ :NH3+ 135:sc= 0.731 (180deg=-1.21!) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 130:sc= 0.142 (180deg=-1.92!) USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= 1.24 (180deg=0.979) USER MOD Single : A 102 THR OG1 : rot -10:sc= 0.887 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -13.565 -9.488 0.192 1.00 0.00 N ATOM 85 CA GLY A 1 -14.617 -8.933 -0.673 1.00 0.00 C ATOM 86 C GLY A 1 -14.474 -9.340 -2.148 1.00 0.00 C ATOM 87 O GLY A 1 -14.468 -10.528 -2.456 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.691 -9.135 1.162 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.627 -10.526 0.191 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.633 -9.196 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.589 -9.262 -0.306 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.600 -7.846 -0.601 1.00 0.00 H new ATOM 91 N SER A 2 -14.379 -8.382 -3.080 1.00 0.00 N ATOM 92 CA SER A 2 -14.364 -8.643 -4.531 1.00 0.00 C ATOM 93 C SER A 2 -13.356 -7.780 -5.305 1.00 0.00 C ATOM 94 O SER A 2 -13.495 -6.558 -5.410 1.00 0.00 O ATOM 95 CB SER A 2 -15.766 -8.460 -5.107 1.00 0.00 C ATOM 96 OG SER A 2 -15.808 -9.008 -6.410 1.00 0.00 O ATOM 0 H SER A 2 -14.309 -7.391 -2.848 1.00 0.00 H new ATOM 0 HA SER A 2 -14.037 -9.675 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.501 -8.951 -4.469 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.025 -7.402 -5.136 1.00 0.00 H new ATOM 0 HG SER A 2 -16.707 -8.895 -6.784 1.00 0.00 H new ATOM 102 N ALA A 3 -12.339 -8.422 -5.890 1.00 0.00 N ATOM 103 CA ALA A 3 -11.159 -7.763 -6.458 1.00 0.00 C ATOM 104 C ALA A 3 -11.454 -6.647 -7.484 1.00 0.00 C ATOM 105 O ALA A 3 -10.730 -5.654 -7.513 1.00 0.00 O ATOM 106 CB ALA A 3 -10.236 -8.836 -7.044 1.00 0.00 C ATOM 0 H ALA A 3 -12.313 -9.437 -5.984 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.671 -7.233 -5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.352 -8.362 -7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.933 -9.525 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.765 -9.385 -7.823 1.00 0.00 H new ATOM 112 N LYS A 4 -12.527 -6.730 -8.290 1.00 0.00 N ATOM 113 CA LYS A 4 -12.865 -5.635 -9.228 1.00 0.00 C ATOM 114 C LYS A 4 -13.385 -4.352 -8.575 1.00 0.00 C ATOM 115 O LYS A 4 -13.214 -3.266 -9.116 1.00 0.00 O ATOM 116 CB LYS A 4 -13.755 -6.108 -10.392 1.00 0.00 C ATOM 117 CG LYS A 4 -15.247 -6.311 -10.059 1.00 0.00 C ATOM 118 CD LYS A 4 -16.041 -6.601 -11.344 1.00 0.00 C ATOM 119 CE LYS A 4 -17.548 -6.703 -11.069 1.00 0.00 C ATOM 120 NZ LYS A 4 -18.325 -6.880 -12.326 1.00 0.00 N ATOM 0 H LYS A 4 -13.166 -7.525 -8.315 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.904 -5.344 -9.652 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.679 -5.381 -11.201 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.356 -7.049 -10.770 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.362 -7.137 -9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.643 -5.421 -9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.857 -5.811 -12.072 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.688 -7.532 -11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -17.740 -7.542 -10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.886 -5.803 -10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.338 -6.945 -12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.161 -6.067 -12.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -18.019 -7.752 -12.803 1.00 0.00 H new ATOM 134 N LYS A 5 -13.986 -4.479 -7.395 1.00 0.00 N ATOM 135 CA LYS A 5 -14.487 -3.360 -6.577 1.00 0.00 C ATOM 136 C LYS A 5 -13.342 -2.659 -5.839 1.00 0.00 C ATOM 137 O LYS A 5 -13.269 -1.430 -5.858 1.00 0.00 O ATOM 138 CB LYS A 5 -15.577 -3.853 -5.615 1.00 0.00 C ATOM 139 CG LYS A 5 -16.392 -2.673 -5.044 1.00 0.00 C ATOM 140 CD LYS A 5 -17.434 -3.108 -4.000 1.00 0.00 C ATOM 141 CE LYS A 5 -16.686 -3.632 -2.776 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.548 -4.185 -1.709 1.00 0.00 N ATOM 0 H LYS A 5 -14.146 -5.388 -6.962 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.937 -2.618 -7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.243 -4.540 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.120 -4.412 -4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.710 -1.954 -4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.898 -2.160 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.072 -2.268 -3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.084 -3.882 -4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.989 -4.406 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.090 -2.821 -2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.954 -4.607 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.125 -3.423 -1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.172 -4.914 -2.110 1.00 0.00 H new ATOM 156 N GLY A 6 -12.409 -3.429 -5.271 1.00 0.00 N ATOM 157 CA GLY A 6 -11.139 -2.881 -4.784 1.00 0.00 C ATOM 158 C GLY A 6 -10.350 -2.146 -5.878 1.00 0.00 C ATOM 159 O GLY A 6 -9.843 -1.058 -5.621 1.00 0.00 O ATOM 0 H GLY A 6 -12.509 -4.435 -5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.337 -2.194 -3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.529 -3.691 -4.384 1.00 0.00 H new ATOM 163 N ALA A 7 -10.323 -2.675 -7.108 1.00 0.00 N ATOM 164 CA ALA A 7 -9.696 -2.017 -8.261 1.00 0.00 C ATOM 165 C ALA A 7 -10.296 -0.629 -8.547 1.00 0.00 C ATOM 166 O ALA A 7 -9.561 0.351 -8.692 1.00 0.00 O ATOM 167 CB ALA A 7 -9.805 -2.917 -9.499 1.00 0.00 C ATOM 0 H ALA A 7 -10.739 -3.579 -7.332 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.646 -1.860 -8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.338 -2.422 -10.351 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.299 -3.863 -9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.855 -3.105 -9.720 1.00 0.00 H new ATOM 173 N THR A 8 -11.630 -0.517 -8.607 1.00 0.00 N ATOM 174 CA THR A 8 -12.317 0.778 -8.782 1.00 0.00 C ATOM 175 C THR A 8 -12.055 1.769 -7.646 1.00 0.00 C ATOM 176 O THR A 8 -11.901 2.960 -7.913 1.00 0.00 O ATOM 177 CB THR A 8 -13.836 0.623 -8.975 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.432 -0.296 -8.082 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.159 0.109 -10.375 1.00 0.00 C ATOM 0 H THR A 8 -12.263 -1.314 -8.537 1.00 0.00 H new ATOM 0 HA THR A 8 -11.883 1.187 -9.694 1.00 0.00 H new ATOM 0 HB THR A 8 -14.234 1.621 -8.795 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.801 -0.510 -7.364 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.239 0.008 -10.485 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.782 0.813 -11.117 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.687 -0.862 -10.524 1.00 0.00 H new ATOM 187 N LEU A 9 -11.951 1.284 -6.401 1.00 0.00 N ATOM 188 CA LEU A 9 -11.622 2.080 -5.212 1.00 0.00 C ATOM 189 C LEU A 9 -10.202 2.630 -5.338 1.00 0.00 C ATOM 190 O LEU A 9 -10.004 3.840 -5.351 1.00 0.00 O ATOM 191 CB LEU A 9 -11.769 1.242 -3.926 1.00 0.00 C ATOM 192 CG LEU A 9 -13.231 1.052 -3.504 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.360 -0.138 -2.547 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.783 2.294 -2.789 1.00 0.00 C ATOM 0 H LEU A 9 -12.098 0.297 -6.188 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.322 2.913 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.310 0.265 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.222 1.727 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.802 0.877 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.403 -0.260 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.014 -1.044 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.755 0.042 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.821 2.120 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.192 2.492 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.729 3.153 -3.458 1.00 0.00 H new ATOM 206 N PHE A 10 -9.228 1.729 -5.490 1.00 0.00 N ATOM 207 CA PHE A 10 -7.811 2.018 -5.752 1.00 0.00 C ATOM 208 C PHE A 10 -7.634 3.094 -6.836 1.00 0.00 C ATOM 209 O PHE A 10 -6.888 4.060 -6.639 1.00 0.00 O ATOM 210 CB PHE A 10 -7.092 0.706 -6.120 1.00 0.00 C ATOM 211 CG PHE A 10 -5.661 0.871 -6.606 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.598 0.913 -5.687 1.00 0.00 C ATOM 213 CD2 PHE A 10 -5.387 0.965 -7.985 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.282 1.131 -6.136 1.00 0.00 C ATOM 215 CE2 PHE A 10 -4.066 1.153 -8.433 1.00 0.00 C ATOM 216 CZ PHE A 10 -3.016 1.274 -7.505 1.00 0.00 C ATOM 0 H PHE A 10 -9.413 0.728 -5.431 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.360 2.429 -4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.090 0.053 -5.247 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.667 0.200 -6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.792 0.778 -4.633 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.193 0.893 -8.700 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.473 1.188 -5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.858 1.204 -9.492 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.011 1.476 -7.845 1.00 0.00 H new ATOM 226 N LYS A 11 -8.371 2.971 -7.949 1.00 0.00 N ATOM 227 CA LYS A 11 -8.371 3.901 -9.094 1.00 0.00 C ATOM 228 C LYS A 11 -8.803 5.340 -8.757 1.00 0.00 C ATOM 229 O LYS A 11 -8.446 6.255 -9.491 1.00 0.00 O ATOM 230 CB LYS A 11 -9.206 3.265 -10.222 1.00 0.00 C ATOM 231 CG LYS A 11 -9.007 3.937 -11.591 1.00 0.00 C ATOM 232 CD LYS A 11 -9.304 2.975 -12.751 1.00 0.00 C ATOM 233 CE LYS A 11 -8.826 3.598 -14.069 1.00 0.00 C ATOM 234 NZ LYS A 11 -8.944 2.645 -15.199 1.00 0.00 N ATOM 0 H LYS A 11 -9.011 2.189 -8.085 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.341 4.037 -9.423 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.946 2.210 -10.304 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.261 3.314 -9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.658 4.808 -11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.982 4.298 -11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.802 2.022 -12.584 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.373 2.768 -12.801 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.412 4.491 -14.283 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.788 3.915 -13.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.612 3.100 -16.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.365 1.803 -15.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.938 2.362 -15.312 1.00 0.00 H new ATOM 248 N THR A 12 -9.488 5.558 -7.629 1.00 0.00 N ATOM 249 CA THR A 12 -9.857 6.866 -7.042 1.00 0.00 C ATOM 250 C THR A 12 -9.515 6.946 -5.534 1.00 0.00 C ATOM 251 O THR A 12 -10.243 7.489 -4.695 1.00 0.00 O ATOM 252 CB THR A 12 -11.305 7.232 -7.424 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.577 8.580 -7.126 1.00 0.00 O ATOM 254 CG2 THR A 12 -12.396 6.380 -6.779 1.00 0.00 C ATOM 0 H THR A 12 -9.824 4.781 -7.060 1.00 0.00 H new ATOM 0 HA THR A 12 -9.238 7.651 -7.477 1.00 0.00 H new ATOM 0 HB THR A 12 -11.343 7.034 -8.495 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.350 8.760 -6.190 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.374 6.724 -7.117 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.260 5.337 -7.065 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.335 6.470 -5.694 1.00 0.00 H new ATOM 262 N ARG A 13 -8.355 6.377 -5.166 1.00 0.00 N ATOM 263 CA ARG A 13 -7.695 6.494 -3.846 1.00 0.00 C ATOM 264 C ARG A 13 -6.175 6.611 -3.964 1.00 0.00 C ATOM 265 O ARG A 13 -5.592 7.624 -3.587 1.00 0.00 O ATOM 266 CB ARG A 13 -8.045 5.284 -2.951 1.00 0.00 C ATOM 267 CG ARG A 13 -9.506 5.182 -2.503 1.00 0.00 C ATOM 268 CD ARG A 13 -9.927 6.268 -1.506 1.00 0.00 C ATOM 269 NE ARG A 13 -11.311 6.027 -1.053 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.405 6.301 -1.742 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.379 6.940 -2.880 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.570 5.903 -1.307 1.00 0.00 N ATOM 0 H ARG A 13 -7.822 5.793 -5.810 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.070 7.411 -3.391 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.786 4.372 -3.489 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.415 5.320 -2.062 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.150 5.239 -3.381 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.670 4.204 -2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.251 6.270 -0.651 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.854 7.250 -1.973 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.434 5.613 -0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.489 7.249 -3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.249 7.130 -3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.637 5.380 -0.434 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.413 6.115 -1.840 1.00 0.00 H new ATOM 286 N CYS A 14 -5.545 5.560 -4.485 1.00 0.00 N ATOM 287 CA CYS A 14 -4.110 5.301 -4.396 1.00 0.00 C ATOM 288 C CYS A 14 -3.410 5.562 -5.728 1.00 0.00 C ATOM 289 O CYS A 14 -2.249 5.979 -5.747 1.00 0.00 O ATOM 290 CB CYS A 14 -3.900 3.827 -4.036 1.00 0.00 C ATOM 291 SG CYS A 14 -5.125 3.036 -2.938 1.00 0.00 S ATOM 0 H CYS A 14 -6.042 4.835 -5.003 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.691 5.966 -3.640 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.865 3.257 -4.965 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.920 3.733 -3.568 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.794 1.794 -2.742 1.00 0.00 H new ATOM 296 N LEU A 15 -4.115 5.363 -6.855 1.00 0.00 N ATOM 297 CA LEU A 15 -3.548 5.475 -8.201 1.00 0.00 C ATOM 298 C LEU A 15 -2.928 6.858 -8.499 1.00 0.00 C ATOM 299 O LEU A 15 -1.962 6.973 -9.259 1.00 0.00 O ATOM 300 CB LEU A 15 -4.627 5.070 -9.218 1.00 0.00 C ATOM 301 CG LEU A 15 -4.127 5.039 -10.673 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.027 4.008 -10.924 1.00 0.00 C ATOM 303 CD2 LEU A 15 -5.284 4.733 -11.620 1.00 0.00 C ATOM 0 H LEU A 15 -5.105 5.117 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.702 4.792 -8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.010 4.084 -8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.462 5.767 -9.145 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.707 6.027 -10.859 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.726 4.045 -11.971 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.168 4.231 -10.291 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.402 3.012 -10.689 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.918 4.714 -12.647 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.713 3.763 -11.369 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.048 5.504 -11.522 1.00 0.00 H new ATOM 315 N GLN A 16 -3.397 7.911 -7.817 1.00 0.00 N ATOM 316 CA GLN A 16 -2.757 9.226 -7.855 1.00 0.00 C ATOM 317 C GLN A 16 -1.257 9.185 -7.494 1.00 0.00 C ATOM 318 O GLN A 16 -0.478 9.862 -8.159 1.00 0.00 O ATOM 319 CB GLN A 16 -3.550 10.239 -7.016 1.00 0.00 C ATOM 320 CG GLN A 16 -3.558 9.968 -5.504 1.00 0.00 C ATOM 321 CD GLN A 16 -4.415 10.980 -4.750 1.00 0.00 C ATOM 322 OE1 GLN A 16 -4.447 12.161 -5.049 1.00 0.00 O ATOM 323 NE2 GLN A 16 -5.143 10.548 -3.744 1.00 0.00 N ATOM 0 H GLN A 16 -4.228 7.873 -7.226 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.780 9.567 -8.890 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.137 11.233 -7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.580 10.255 -7.372 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.935 8.962 -5.317 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.537 10.002 -5.124 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.123 9.561 -3.486 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.728 11.200 -3.221 1.00 0.00 H new ATOM 332 N CYS A 17 -0.819 8.321 -6.571 1.00 0.00 N ATOM 333 CA CYS A 17 0.547 8.303 -6.022 1.00 0.00 C ATOM 334 C CYS A 17 1.387 7.069 -6.380 1.00 0.00 C ATOM 335 O CYS A 17 2.601 7.107 -6.173 1.00 0.00 O ATOM 336 CB CYS A 17 0.482 8.403 -4.498 1.00 0.00 C ATOM 337 SG CYS A 17 -0.018 10.028 -3.862 1.00 0.00 S ATOM 0 H CYS A 17 -1.417 7.596 -6.174 1.00 0.00 H new ATOM 0 HA CYS A 17 1.045 9.157 -6.482 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.217 7.653 -4.128 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.462 8.154 -4.090 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.041 9.997 -2.563 1.00 0.00 H new ATOM 342 N HIS A 18 0.772 5.996 -6.894 1.00 0.00 N ATOM 343 CA HIS A 18 1.350 4.651 -7.063 1.00 0.00 C ATOM 344 C HIS A 18 1.093 4.032 -8.451 1.00 0.00 C ATOM 345 O HIS A 18 0.339 4.569 -9.260 1.00 0.00 O ATOM 346 CB HIS A 18 0.742 3.742 -5.977 1.00 0.00 C ATOM 347 CG HIS A 18 1.351 3.927 -4.613 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.683 3.789 -4.302 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.675 4.184 -3.450 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.805 3.953 -2.977 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.607 4.196 -2.411 1.00 0.00 N ATOM 0 H HIS A 18 -0.193 6.042 -7.221 1.00 0.00 H new ATOM 0 HA HIS A 18 2.432 4.740 -6.971 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.329 3.934 -5.915 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.862 2.702 -6.279 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.440 3.597 -4.959 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.388 4.348 -3.354 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.738 3.898 -2.436 1.00 0.00 H new ATOM 359 N THR A 19 1.700 2.867 -8.690 1.00 0.00 N ATOM 360 CA THR A 19 1.446 1.928 -9.802 1.00 0.00 C ATOM 361 C THR A 19 1.479 0.473 -9.284 1.00 0.00 C ATOM 362 O THR A 19 1.995 0.237 -8.196 1.00 0.00 O ATOM 363 CB THR A 19 2.466 2.135 -10.935 1.00 0.00 C ATOM 364 OG1 THR A 19 3.802 2.056 -10.486 1.00 0.00 O ATOM 365 CG2 THR A 19 2.306 3.488 -11.625 1.00 0.00 C ATOM 0 H THR A 19 2.435 2.524 -8.072 1.00 0.00 H new ATOM 0 HA THR A 19 0.455 2.127 -10.209 1.00 0.00 H new ATOM 0 HB THR A 19 2.258 1.326 -11.636 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.281 2.872 -10.740 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.050 3.583 -12.416 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.307 3.561 -12.055 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.447 4.287 -10.897 1.00 0.00 H new ATOM 373 N VAL A 20 0.919 -0.503 -10.014 1.00 0.00 N ATOM 374 CA VAL A 20 0.981 -1.956 -9.677 1.00 0.00 C ATOM 375 C VAL A 20 1.366 -2.822 -10.887 1.00 0.00 C ATOM 376 O VAL A 20 1.671 -4.005 -10.765 1.00 0.00 O ATOM 377 CB VAL A 20 -0.350 -2.508 -9.094 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.106 -3.706 -8.165 1.00 0.00 C ATOM 379 CG2 VAL A 20 -1.177 -1.493 -8.296 1.00 0.00 C ATOM 0 H VAL A 20 0.399 -0.315 -10.871 1.00 0.00 H new ATOM 0 HA VAL A 20 1.756 -2.022 -8.913 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.914 -2.789 -9.983 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.059 -4.065 -7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.383 -4.505 -8.722 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.532 -3.399 -7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.086 -1.971 -7.930 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.592 -1.131 -7.450 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.442 -0.654 -8.939 1.00 0.00 H new ATOM 389 N GLU A 21 1.326 -2.256 -12.088 1.00 0.00 N ATOM 390 CA GLU A 21 1.604 -2.968 -13.331 1.00 0.00 C ATOM 391 C GLU A 21 3.115 -3.183 -13.490 1.00 0.00 C ATOM 392 O GLU A 21 3.936 -2.424 -12.969 1.00 0.00 O ATOM 393 CB GLU A 21 1.062 -2.186 -14.531 1.00 0.00 C ATOM 394 CG GLU A 21 -0.339 -1.580 -14.289 1.00 0.00 C ATOM 395 CD GLU A 21 -0.785 -0.661 -15.424 1.00 0.00 C ATOM 396 OE1 GLU A 21 0.091 0.068 -15.940 1.00 0.00 O ATOM 397 OE2 GLU A 21 -2.002 -0.657 -15.717 1.00 0.00 O ATOM 0 H GLU A 21 1.095 -1.272 -12.228 1.00 0.00 H new ATOM 0 HA GLU A 21 1.107 -3.937 -13.291 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.758 -1.384 -14.777 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.019 -2.847 -15.396 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.064 -2.385 -14.172 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.332 -1.020 -13.354 1.00 0.00 H new ATOM 440 N PRO A 25 5.738 3.227 -13.654 1.00 0.00 N ATOM 441 CA PRO A 25 6.746 4.088 -13.048 1.00 0.00 C ATOM 442 C PRO A 25 6.524 4.253 -11.538 1.00 0.00 C ATOM 443 O PRO A 25 5.388 4.319 -11.054 1.00 0.00 O ATOM 444 CB PRO A 25 6.657 5.419 -13.804 1.00 0.00 C ATOM 445 CG PRO A 25 5.228 5.436 -14.344 1.00 0.00 C ATOM 446 CD PRO A 25 4.956 3.962 -14.636 1.00 0.00 C ATOM 0 HA PRO A 25 7.744 3.658 -13.132 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.846 6.267 -13.145 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.390 5.472 -14.609 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.525 5.840 -13.615 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.143 6.048 -15.242 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.894 3.732 -14.546 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.253 3.701 -15.652 1.00 0.00 H new ATOM 454 N HIS A 26 7.629 4.360 -10.799 1.00 0.00 N ATOM 455 CA HIS A 26 7.641 4.976 -9.475 1.00 0.00 C ATOM 456 C HIS A 26 7.245 6.451 -9.614 1.00 0.00 C ATOM 457 O HIS A 26 7.629 7.108 -10.582 1.00 0.00 O ATOM 458 CB HIS A 26 9.040 4.875 -8.865 1.00 0.00 C ATOM 459 CG HIS A 26 9.442 3.501 -8.393 1.00 0.00 C ATOM 460 ND1 HIS A 26 9.869 3.209 -7.129 1.00 0.00 N flip ATOM 461 CD2 HIS A 26 9.517 2.342 -9.139 1.00 0.00 C flip ATOM 462 CE1 HIS A 26 10.202 1.858 -7.099 1.00 0.00 C flip ATOM 463 NE2 HIS A 26 10.006 1.383 -8.331 1.00 0.00 N flip ATOM 0 H HIS A 26 8.541 4.021 -11.104 1.00 0.00 H new ATOM 0 HA HIS A 26 6.936 4.460 -8.824 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.766 5.213 -9.605 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.101 5.563 -8.021 1.00 0.00 H new ATOM 0 HD1 HIS A 26 9.932 3.863 -6.348 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.236 2.226 -10.175 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.552 1.301 -6.243 1.00 0.00 H new ATOM 471 N LYS A 27 6.446 6.957 -8.673 1.00 0.00 N ATOM 472 CA LYS A 27 5.721 8.224 -8.815 1.00 0.00 C ATOM 473 C LYS A 27 5.895 9.078 -7.553 1.00 0.00 C ATOM 474 O LYS A 27 6.999 9.566 -7.311 1.00 0.00 O ATOM 475 CB LYS A 27 4.286 7.845 -9.231 1.00 0.00 C ATOM 476 CG LYS A 27 3.442 8.997 -9.785 1.00 0.00 C ATOM 477 CD LYS A 27 2.032 8.470 -10.082 1.00 0.00 C ATOM 478 CE LYS A 27 1.186 9.522 -10.800 1.00 0.00 C ATOM 479 NZ LYS A 27 -0.236 9.106 -10.842 1.00 0.00 N ATOM 0 H LYS A 27 6.281 6.494 -7.779 1.00 0.00 H new ATOM 0 HA LYS A 27 6.107 8.885 -9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.339 7.059 -9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.773 7.423 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.397 9.814 -9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.896 9.397 -10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.099 7.572 -10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.545 8.183 -9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.276 10.480 -10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.559 9.666 -11.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.716 9.589 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.293 8.077 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.699 9.360 -9.946 1.00 0.00 H new ATOM 493 N VAL A 28 4.853 9.223 -6.728 1.00 0.00 N ATOM 494 CA VAL A 28 4.945 9.869 -5.405 1.00 0.00 C ATOM 495 C VAL A 28 5.456 8.860 -4.372 1.00 0.00 C ATOM 496 O VAL A 28 6.322 9.195 -3.571 1.00 0.00 O ATOM 497 CB VAL A 28 3.593 10.457 -4.964 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.709 11.260 -3.663 1.00 0.00 C ATOM 499 CG2 VAL A 28 2.999 11.389 -6.029 1.00 0.00 C ATOM 0 H VAL A 28 3.914 8.895 -6.956 1.00 0.00 H new ATOM 0 HA VAL A 28 5.649 10.698 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 28 2.941 9.597 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.730 11.656 -3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.072 10.611 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.407 12.085 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.045 11.782 -5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.686 12.215 -6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.844 10.833 -6.953 1.00 0.00 H new ATOM 509 N GLY A 29 4.972 7.617 -4.447 1.00 0.00 N ATOM 510 CA GLY A 29 5.591 6.426 -3.861 1.00 0.00 C ATOM 511 C GLY A 29 5.959 5.404 -4.952 1.00 0.00 C ATOM 512 O GLY A 29 5.852 5.714 -6.147 1.00 0.00 O ATOM 0 H GLY A 29 4.103 7.405 -4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.486 6.711 -3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.906 5.970 -3.146 1.00 0.00 H new ATOM 516 N PRO A 30 6.419 4.200 -4.574 1.00 0.00 N ATOM 517 CA PRO A 30 6.929 3.215 -5.523 1.00 0.00 C ATOM 518 C PRO A 30 5.848 2.514 -6.367 1.00 0.00 C ATOM 519 O PRO A 30 4.648 2.784 -6.266 1.00 0.00 O ATOM 520 CB PRO A 30 7.747 2.234 -4.664 1.00 0.00 C ATOM 521 CG PRO A 30 7.061 2.283 -3.301 1.00 0.00 C ATOM 522 CD PRO A 30 6.636 3.747 -3.206 1.00 0.00 C ATOM 0 HA PRO A 30 7.533 3.700 -6.290 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.733 1.228 -5.083 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.792 2.537 -4.597 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.207 1.607 -3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.738 2.002 -2.494 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.727 3.850 -2.614 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.405 4.344 -2.716 1.00 0.00 H new ATOM 530 N ASN A 31 6.296 1.602 -7.229 1.00 0.00 N ATOM 531 CA ASN A 31 5.450 0.543 -7.778 1.00 0.00 C ATOM 532 C ASN A 31 5.042 -0.441 -6.642 1.00 0.00 C ATOM 533 O ASN A 31 5.755 -0.570 -5.646 1.00 0.00 O ATOM 534 CB ASN A 31 6.259 -0.092 -8.930 1.00 0.00 C ATOM 535 CG ASN A 31 5.451 -1.026 -9.812 1.00 0.00 C ATOM 536 OD1 ASN A 31 4.800 -1.936 -9.342 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.488 -0.873 -11.111 1.00 0.00 N ATOM 0 H ASN A 31 7.258 1.577 -7.567 1.00 0.00 H new ATOM 0 HA ASN A 31 4.504 0.902 -8.182 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.677 0.703 -9.548 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.099 -0.644 -8.509 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.974 -1.514 -11.715 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.031 -0.112 -11.520 1.00 0.00 H new ATOM 544 N LEU A 32 3.899 -1.122 -6.771 1.00 0.00 N ATOM 545 CA LEU A 32 3.310 -2.045 -5.789 1.00 0.00 C ATOM 546 C LEU A 32 3.218 -3.504 -6.301 1.00 0.00 C ATOM 547 O LEU A 32 2.646 -4.374 -5.648 1.00 0.00 O ATOM 548 CB LEU A 32 1.937 -1.506 -5.330 1.00 0.00 C ATOM 549 CG LEU A 32 1.933 -0.126 -4.636 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.491 0.287 -4.321 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.709 -0.114 -3.317 1.00 0.00 C ATOM 0 H LEU A 32 3.325 -1.041 -7.611 1.00 0.00 H new ATOM 0 HA LEU A 32 3.981 -2.087 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.284 -1.451 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.497 -2.232 -4.647 1.00 0.00 H new ATOM 0 HG LEU A 32 2.416 0.564 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.490 1.261 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.081 0.346 -5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.037 -0.452 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.668 0.884 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.265 -0.831 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.748 -0.386 -3.504 1.00 0.00 H new ATOM 563 N HIS A 33 3.780 -3.813 -7.468 1.00 0.00 N ATOM 564 CA HIS A 33 3.929 -5.166 -8.009 1.00 0.00 C ATOM 565 C HIS A 33 4.840 -6.036 -7.120 1.00 0.00 C ATOM 566 O HIS A 33 6.068 -5.983 -7.184 1.00 0.00 O ATOM 567 CB HIS A 33 4.468 -5.059 -9.441 1.00 0.00 C ATOM 568 CG HIS A 33 4.179 -6.268 -10.279 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.959 -6.581 -10.824 1.00 0.00 N ATOM 570 CD2 HIS A 33 5.077 -7.218 -10.669 1.00 0.00 C ATOM 571 CE1 HIS A 33 3.118 -7.698 -11.554 1.00 0.00 C ATOM 572 NE2 HIS A 33 4.403 -8.101 -11.525 1.00 0.00 N ATOM 0 H HIS A 33 4.160 -3.099 -8.089 1.00 0.00 H new ATOM 0 HA HIS A 33 2.958 -5.662 -8.023 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.033 -4.182 -9.920 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.546 -4.901 -9.405 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.091 -6.061 -10.698 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.114 -7.279 -10.374 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.327 -8.202 -12.089 1.00 0.00 H new ATOM 580 N GLY A 34 4.211 -6.874 -6.298 1.00 0.00 N ATOM 581 CA GLY A 34 4.865 -7.912 -5.499 1.00 0.00 C ATOM 582 C GLY A 34 5.334 -7.472 -4.110 1.00 0.00 C ATOM 583 O GLY A 34 6.241 -8.102 -3.566 1.00 0.00 O ATOM 0 H GLY A 34 3.200 -6.850 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.174 -8.747 -5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.726 -8.285 -6.053 1.00 0.00 H new ATOM 587 N ILE A 35 4.755 -6.421 -3.506 1.00 0.00 N ATOM 588 CA ILE A 35 5.140 -6.001 -2.146 1.00 0.00 C ATOM 589 C ILE A 35 4.859 -7.065 -1.079 1.00 0.00 C ATOM 590 O ILE A 35 5.580 -7.108 -0.091 1.00 0.00 O ATOM 591 CB ILE A 35 4.517 -4.654 -1.713 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.012 -4.678 -1.367 1.00 0.00 C ATOM 593 CG2 ILE A 35 4.845 -3.545 -2.718 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.027 -4.978 -2.500 1.00 0.00 C ATOM 0 H ILE A 35 4.025 -5.850 -3.932 1.00 0.00 H new ATOM 0 HA ILE A 35 6.219 -5.864 -2.215 1.00 0.00 H new ATOM 0 HB ILE A 35 4.996 -4.435 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.859 -5.421 -0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.750 -3.709 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.394 -2.609 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.926 -3.423 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.449 -3.813 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.009 -4.962 -2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.129 -4.224 -3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.241 -5.962 -2.917 1.00 0.00 H new ATOM 606 N PHE A 36 3.845 -7.916 -1.256 1.00 0.00 N ATOM 607 CA PHE A 36 3.498 -8.964 -0.296 1.00 0.00 C ATOM 608 C PHE A 36 4.678 -9.922 -0.063 1.00 0.00 C ATOM 609 O PHE A 36 5.151 -10.603 -0.967 1.00 0.00 O ATOM 610 CB PHE A 36 2.200 -9.671 -0.707 1.00 0.00 C ATOM 611 CG PHE A 36 0.978 -8.785 -0.530 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.478 -8.533 0.762 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.370 -8.169 -1.640 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.616 -7.670 0.945 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.723 -7.303 -1.460 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.215 -7.050 -0.165 1.00 0.00 C ATOM 0 H PHE A 36 3.238 -7.896 -2.076 1.00 0.00 H new ATOM 0 HA PHE A 36 3.299 -8.504 0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.273 -9.981 -1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.078 -10.576 -0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.938 -9.006 1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.745 -8.362 -2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.996 -7.483 1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.185 -6.832 -2.315 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.051 -6.381 -0.025 1.00 0.00 H new ATOM 626 N GLY A 37 5.186 -9.915 1.167 1.00 0.00 N ATOM 627 CA GLY A 37 6.361 -10.651 1.629 1.00 0.00 C ATOM 628 C GLY A 37 7.638 -9.808 1.723 1.00 0.00 C ATOM 629 O GLY A 37 8.640 -10.278 2.264 1.00 0.00 O ATOM 0 H GLY A 37 4.763 -9.362 1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.147 -11.075 2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.541 -11.487 0.953 1.00 0.00 H new ATOM 633 N ARG A 38 7.651 -8.565 1.219 1.00 0.00 N ATOM 634 CA ARG A 38 8.789 -7.643 1.370 1.00 0.00 C ATOM 635 C ARG A 38 8.762 -6.922 2.705 1.00 0.00 C ATOM 636 O ARG A 38 7.696 -6.661 3.245 1.00 0.00 O ATOM 637 CB ARG A 38 8.815 -6.592 0.245 1.00 0.00 C ATOM 638 CG ARG A 38 9.143 -7.120 -1.149 1.00 0.00 C ATOM 639 CD ARG A 38 10.298 -8.113 -1.087 1.00 0.00 C ATOM 640 NE ARG A 38 11.202 -8.006 -2.232 1.00 0.00 N ATOM 641 CZ ARG A 38 11.893 -8.965 -2.801 1.00 0.00 C ATOM 642 NH1 ARG A 38 11.532 -10.214 -2.719 1.00 0.00 N ATOM 643 NH2 ARG A 38 12.988 -8.646 -3.425 1.00 0.00 N ATOM 0 H ARG A 38 6.871 -8.169 0.694 1.00 0.00 H new ATOM 0 HA ARG A 38 9.686 -8.259 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.842 -6.103 0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.547 -5.827 0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.264 -7.602 -1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.404 -6.290 -1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.862 -7.950 -0.169 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.898 -9.126 -1.040 1.00 0.00 H new ATOM 0 HE ARG A 38 11.308 -7.075 -2.636 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.691 -10.469 -2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.090 -10.937 -3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.288 -7.672 -3.462 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.547 -9.370 -3.877 1.00 0.00 H new ATOM 657 N HIS A 39 9.943 -6.568 3.194 1.00 0.00 N ATOM 658 CA HIS A 39 10.075 -5.683 4.342 1.00 0.00 C ATOM 659 C HIS A 39 10.053 -4.233 3.850 1.00 0.00 C ATOM 660 O HIS A 39 10.684 -3.939 2.830 1.00 0.00 O ATOM 661 CB HIS A 39 11.344 -6.018 5.127 1.00 0.00 C ATOM 662 CG HIS A 39 11.244 -7.362 5.810 1.00 0.00 C ATOM 663 ND1 HIS A 39 11.291 -8.594 5.193 1.00 0.00 N ATOM 664 CD2 HIS A 39 11.011 -7.579 7.141 1.00 0.00 C ATOM 665 CE1 HIS A 39 11.114 -9.533 6.137 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.933 -8.960 7.332 1.00 0.00 N ATOM 0 H HIS A 39 10.832 -6.885 2.808 1.00 0.00 H new ATOM 0 HA HIS A 39 9.240 -5.821 5.029 1.00 0.00 H new ATOM 0 HB2 HIS A 39 12.200 -6.016 4.452 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.525 -5.244 5.873 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.907 -6.821 7.904 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.117 -10.598 5.957 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.769 -9.441 8.216 1.00 0.00 H new ATOM 674 N SER A 40 9.313 -3.365 4.540 1.00 0.00 N ATOM 675 CA SER A 40 9.123 -1.955 4.196 1.00 0.00 C ATOM 676 C SER A 40 10.446 -1.262 3.886 1.00 0.00 C ATOM 677 O SER A 40 11.426 -1.419 4.627 1.00 0.00 O ATOM 678 CB SER A 40 8.306 -1.223 5.269 1.00 0.00 C ATOM 679 OG SER A 40 8.939 -1.190 6.537 1.00 0.00 O ATOM 0 H SER A 40 8.810 -3.634 5.386 1.00 0.00 H new ATOM 0 HA SER A 40 8.539 -1.915 3.277 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.119 -0.201 4.938 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.335 -1.708 5.369 1.00 0.00 H new ATOM 0 HG SER A 40 9.329 -0.303 6.685 1.00 0.00 H new ATOM 685 N GLY A 41 10.455 -0.555 2.750 1.00 0.00 N ATOM 686 CA GLY A 41 11.621 0.184 2.247 1.00 0.00 C ATOM 687 C GLY A 41 12.397 -0.502 1.113 1.00 0.00 C ATOM 688 O GLY A 41 13.542 -0.145 0.852 1.00 0.00 O ATOM 0 H GLY A 41 9.639 -0.478 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.287 1.161 1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.305 0.360 3.078 1.00 0.00 H new ATOM 692 N GLN A 42 11.836 -1.540 0.479 1.00 0.00 N ATOM 693 CA GLN A 42 12.578 -2.500 -0.336 1.00 0.00 C ATOM 694 C GLN A 42 13.079 -2.038 -1.716 1.00 0.00 C ATOM 695 O GLN A 42 14.014 -2.649 -2.236 1.00 0.00 O ATOM 696 CB GLN A 42 11.724 -3.760 -0.489 1.00 0.00 C ATOM 697 CG GLN A 42 12.547 -4.947 0.006 1.00 0.00 C ATOM 698 CD GLN A 42 13.556 -5.461 -1.004 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.230 -6.128 -1.981 1.00 0.00 O ATOM 700 NE2 GLN A 42 14.818 -5.230 -0.757 1.00 0.00 N ATOM 0 H GLN A 42 10.836 -1.736 0.521 1.00 0.00 H new ATOM 0 HA GLN A 42 13.504 -2.667 0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.802 -3.668 0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.437 -3.902 -1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.074 -4.657 0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.871 -5.759 0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 42 15.085 -4.675 0.056 1.00 0.00 H new ATOM 0 HE22 GLN A 42 15.536 -5.605 -1.377 1.00 0.00 H new ATOM 741 N TYR A 46 14.866 3.651 -5.403 1.00 0.00 N ATOM 742 CA TYR A 46 13.973 4.778 -5.098 1.00 0.00 C ATOM 743 C TYR A 46 13.936 5.052 -3.588 1.00 0.00 C ATOM 744 O TYR A 46 13.605 4.179 -2.791 1.00 0.00 O ATOM 745 CB TYR A 46 12.578 4.528 -5.693 1.00 0.00 C ATOM 746 CG TYR A 46 11.621 5.709 -5.564 1.00 0.00 C ATOM 747 CD1 TYR A 46 11.037 6.023 -4.318 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.300 6.488 -6.692 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.127 7.092 -4.210 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.384 7.559 -6.589 1.00 0.00 C ATOM 751 CZ TYR A 46 9.798 7.869 -5.344 1.00 0.00 C ATOM 752 OH TYR A 46 8.929 8.916 -5.234 1.00 0.00 O ATOM 0 HA TYR A 46 14.363 5.682 -5.566 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.685 4.276 -6.748 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.136 3.661 -5.201 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.289 5.441 -3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.758 6.265 -7.644 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.678 7.320 -3.255 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.133 8.140 -7.464 1.00 0.00 H new ATOM 0 HH TYR A 46 8.380 8.972 -6.044 1.00 0.00 H new ATOM 762 N SER A 47 14.294 6.271 -3.182 1.00 0.00 N ATOM 763 CA SER A 47 14.424 6.662 -1.771 1.00 0.00 C ATOM 764 C SER A 47 13.079 6.839 -1.065 1.00 0.00 C ATOM 765 O SER A 47 12.278 7.695 -1.445 1.00 0.00 O ATOM 766 CB SER A 47 15.215 7.963 -1.636 1.00 0.00 C ATOM 767 OG SER A 47 16.517 7.774 -2.153 1.00 0.00 O ATOM 0 H SER A 47 14.506 7.028 -3.831 1.00 0.00 H new ATOM 0 HA SER A 47 14.953 5.839 -1.290 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.711 8.766 -2.174 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.267 8.264 -0.590 1.00 0.00 H new ATOM 0 HG SER A 47 17.026 8.607 -2.069 1.00 0.00 H new ATOM 773 N TYR A 48 12.875 6.043 -0.017 1.00 0.00 N ATOM 774 CA TYR A 48 11.772 6.151 0.937 1.00 0.00 C ATOM 775 C TYR A 48 12.077 7.221 2.024 1.00 0.00 C ATOM 776 O TYR A 48 12.989 8.038 1.874 1.00 0.00 O ATOM 777 CB TYR A 48 11.550 4.765 1.577 1.00 0.00 C ATOM 778 CG TYR A 48 11.057 3.651 0.672 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.905 3.030 -0.264 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.753 3.158 0.853 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.462 1.908 -0.986 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.309 2.040 0.131 1.00 0.00 C ATOM 783 CZ TYR A 48 10.176 1.373 -0.758 1.00 0.00 C ATOM 784 OH TYR A 48 9.794 0.200 -1.336 1.00 0.00 O ATOM 0 H TYR A 48 13.503 5.269 0.200 1.00 0.00 H new ATOM 0 HA TYR A 48 10.867 6.470 0.419 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.491 4.445 2.023 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.834 4.880 2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.900 3.417 -0.428 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.088 3.643 1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.110 1.452 -1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.296 1.688 0.257 1.00 0.00 H new ATOM 0 HH TYR A 48 8.877 -0.015 -1.066 1.00 0.00 H new ATOM 794 N THR A 49 11.366 7.178 3.159 1.00 0.00 N ATOM 795 CA THR A 49 11.766 7.784 4.447 1.00 0.00 C ATOM 796 C THR A 49 12.519 6.782 5.334 1.00 0.00 C ATOM 797 O THR A 49 12.237 5.582 5.312 1.00 0.00 O ATOM 798 CB THR A 49 10.540 8.283 5.233 1.00 0.00 C ATOM 799 OG1 THR A 49 9.636 7.227 5.488 1.00 0.00 O ATOM 800 CG2 THR A 49 9.771 9.358 4.467 1.00 0.00 C ATOM 0 H THR A 49 10.464 6.705 3.213 1.00 0.00 H new ATOM 0 HA THR A 49 12.420 8.621 4.201 1.00 0.00 H new ATOM 0 HB THR A 49 10.928 8.695 6.165 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.867 7.569 5.990 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.914 9.682 5.057 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.425 10.209 4.279 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.424 8.950 3.517 1.00 0.00 H new ATOM 808 N ASP A 50 13.426 7.256 6.192 1.00 0.00 N ATOM 809 CA ASP A 50 14.087 6.462 7.215 1.00 0.00 C ATOM 810 C ASP A 50 13.104 5.852 8.234 1.00 0.00 C ATOM 811 O ASP A 50 13.337 4.746 8.717 1.00 0.00 O ATOM 812 CB ASP A 50 15.090 7.398 7.891 1.00 0.00 C ATOM 813 CG ASP A 50 14.396 8.356 8.853 1.00 0.00 C ATOM 814 OD1 ASP A 50 13.566 9.144 8.357 1.00 0.00 O ATOM 815 OD2 ASP A 50 14.625 8.208 10.074 1.00 0.00 O ATOM 0 H ASP A 50 13.725 8.231 6.189 1.00 0.00 H new ATOM 0 HA ASP A 50 14.580 5.601 6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.831 6.810 8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.627 7.967 7.132 1.00 0.00 H new ATOM 820 N ALA A 51 11.980 6.528 8.505 1.00 0.00 N ATOM 821 CA ALA A 51 10.859 6.032 9.305 1.00 0.00 C ATOM 822 C ALA A 51 10.304 4.705 8.761 1.00 0.00 C ATOM 823 O ALA A 51 10.200 3.726 9.502 1.00 0.00 O ATOM 824 CB ALA A 51 9.782 7.124 9.362 1.00 0.00 C ATOM 0 H ALA A 51 11.823 7.474 8.157 1.00 0.00 H new ATOM 0 HA ALA A 51 11.206 5.813 10.315 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.938 6.772 9.955 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.198 8.021 9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.445 7.355 8.352 1.00 0.00 H new ATOM 830 N ASN A 52 9.990 4.645 7.459 1.00 0.00 N ATOM 831 CA ASN A 52 9.525 3.425 6.788 1.00 0.00 C ATOM 832 C ASN A 52 10.519 2.255 6.975 1.00 0.00 C ATOM 833 O ASN A 52 10.131 1.125 7.292 1.00 0.00 O ATOM 834 CB ASN A 52 9.245 3.791 5.313 1.00 0.00 C ATOM 835 CG ASN A 52 8.975 2.584 4.439 1.00 0.00 C ATOM 836 OD1 ASN A 52 9.780 1.690 4.348 1.00 0.00 O ATOM 837 ND2 ASN A 52 7.853 2.503 3.765 1.00 0.00 N ATOM 0 H ASN A 52 10.053 5.451 6.837 1.00 0.00 H new ATOM 0 HA ASN A 52 8.602 3.056 7.235 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.388 4.463 5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.099 4.337 4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.671 1.692 3.174 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.163 3.251 3.832 1.00 0.00 H new ATOM 844 N ILE A 53 11.807 2.553 6.809 1.00 0.00 N ATOM 845 CA ILE A 53 12.920 1.602 6.834 1.00 0.00 C ATOM 846 C ILE A 53 13.154 1.069 8.240 1.00 0.00 C ATOM 847 O ILE A 53 13.032 -0.131 8.449 1.00 0.00 O ATOM 848 CB ILE A 53 14.175 2.274 6.248 1.00 0.00 C ATOM 849 CG1 ILE A 53 13.962 2.605 4.748 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.438 1.409 6.429 1.00 0.00 C ATOM 851 CD1 ILE A 53 14.978 3.598 4.170 1.00 0.00 C ATOM 0 H ILE A 53 12.119 3.510 6.645 1.00 0.00 H new ATOM 0 HA ILE A 53 12.675 0.738 6.216 1.00 0.00 H new ATOM 0 HB ILE A 53 14.332 3.200 6.802 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.009 1.680 4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 53 12.959 3.011 4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.297 1.925 6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.612 1.237 7.491 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.300 0.453 5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.757 3.774 3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.917 4.540 4.716 1.00 0.00 H new ATOM 0 HD13 ILE A 53 15.983 3.187 4.266 1.00 0.00 H new ATOM 863 N LYS A 54 13.400 1.930 9.238 1.00 0.00 N ATOM 864 CA LYS A 54 13.530 1.562 10.658 1.00 0.00 C ATOM 865 C LYS A 54 12.374 0.709 11.191 1.00 0.00 C ATOM 866 O LYS A 54 12.508 0.085 12.239 1.00 0.00 O ATOM 867 CB LYS A 54 13.621 2.847 11.491 1.00 0.00 C ATOM 868 CG LYS A 54 14.913 3.638 11.248 1.00 0.00 C ATOM 869 CD LYS A 54 14.805 4.999 11.947 1.00 0.00 C ATOM 870 CE LYS A 54 16.087 5.818 11.790 1.00 0.00 C ATOM 871 NZ LYS A 54 15.866 7.221 12.215 1.00 0.00 N ATOM 0 H LYS A 54 13.518 2.930 9.076 1.00 0.00 H new ATOM 0 HA LYS A 54 14.430 0.952 10.742 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.766 3.482 11.261 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.553 2.592 12.549 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.771 3.085 11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.075 3.776 10.179 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.964 5.555 11.532 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.596 4.849 13.006 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.884 5.373 12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.415 5.795 10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.761 7.626 12.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.519 7.778 11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.162 7.245 12.980 1.00 0.00 H new ATOM 885 N LYS A 55 11.224 0.706 10.504 1.00 0.00 N ATOM 886 CA LYS A 55 10.025 -0.038 10.936 1.00 0.00 C ATOM 887 C LYS A 55 9.934 -1.463 10.366 1.00 0.00 C ATOM 888 O LYS A 55 9.125 -2.234 10.886 1.00 0.00 O ATOM 889 CB LYS A 55 8.772 0.829 10.688 1.00 0.00 C ATOM 890 CG LYS A 55 7.637 0.613 11.714 1.00 0.00 C ATOM 891 CD LYS A 55 6.529 -0.343 11.240 1.00 0.00 C ATOM 892 CE LYS A 55 6.032 -1.296 12.334 1.00 0.00 C ATOM 893 NZ LYS A 55 7.086 -2.271 12.705 1.00 0.00 N ATOM 0 H LYS A 55 11.095 1.219 9.632 1.00 0.00 H new ATOM 0 HA LYS A 55 10.101 -0.219 12.008 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.063 1.879 10.701 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.389 0.617 9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.067 0.223 12.637 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.190 1.578 11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.688 0.244 10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.901 -0.930 10.400 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.735 -0.724 13.213 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.146 -1.827 11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.727 -3.238 12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.921 -2.126 12.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.351 -2.134 13.701 1.00 0.00 H new ATOM 907 N ASN A 56 10.733 -1.785 9.338 1.00 0.00 N ATOM 908 CA ASN A 56 10.810 -3.019 8.539 1.00 0.00 C ATOM 909 C ASN A 56 9.595 -3.952 8.672 1.00 0.00 C ATOM 910 O ASN A 56 9.670 -5.069 9.181 1.00 0.00 O ATOM 911 CB ASN A 56 12.145 -3.745 8.796 1.00 0.00 C ATOM 912 CG ASN A 56 13.359 -3.115 8.136 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.431 -3.062 8.708 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.277 -2.696 6.892 1.00 0.00 N ATOM 0 H ASN A 56 11.421 -1.108 9.008 1.00 0.00 H new ATOM 0 HA ASN A 56 10.779 -2.705 7.496 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.317 -3.787 9.872 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.054 -4.774 8.447 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.105 -2.333 6.420 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.385 -2.734 6.399 1.00 0.00 H new ATOM 921 N VAL A 57 8.445 -3.491 8.189 1.00 0.00 N ATOM 922 CA VAL A 57 7.203 -4.264 8.161 1.00 0.00 C ATOM 923 C VAL A 57 7.215 -5.229 6.992 1.00 0.00 C ATOM 924 O VAL A 57 7.333 -4.809 5.849 1.00 0.00 O ATOM 925 CB VAL A 57 5.991 -3.313 8.176 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.808 -3.633 7.262 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.499 -3.283 9.620 1.00 0.00 C ATOM 0 H VAL A 57 8.346 -2.554 7.799 1.00 0.00 H new ATOM 0 HA VAL A 57 7.118 -4.879 9.057 1.00 0.00 H new ATOM 0 HB VAL A 57 6.354 -2.366 7.778 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.036 -2.873 7.386 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.142 -3.644 6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.401 -4.610 7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.636 -2.622 9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.214 -4.289 9.928 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.295 -2.917 10.268 1.00 0.00 H new ATOM 937 N LEU A 58 7.127 -6.524 7.295 1.00 0.00 N ATOM 938 CA LEU A 58 6.909 -7.609 6.333 1.00 0.00 C ATOM 939 C LEU A 58 5.471 -7.538 5.790 1.00 0.00 C ATOM 940 O LEU A 58 4.542 -7.991 6.457 1.00 0.00 O ATOM 941 CB LEU A 58 7.226 -8.948 7.024 1.00 0.00 C ATOM 942 CG LEU A 58 7.371 -10.138 6.056 1.00 0.00 C ATOM 943 CD1 LEU A 58 8.054 -11.299 6.780 1.00 0.00 C ATOM 944 CD2 LEU A 58 6.037 -10.668 5.517 1.00 0.00 C ATOM 0 H LEU A 58 7.209 -6.861 8.254 1.00 0.00 H new ATOM 0 HA LEU A 58 7.572 -7.513 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.150 -8.841 7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.435 -9.171 7.740 1.00 0.00 H new ATOM 0 HG LEU A 58 7.952 -9.764 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.158 -12.143 6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.040 -10.985 7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.451 -11.598 7.637 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.223 -11.504 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.416 -11.003 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.522 -9.874 4.976 1.00 0.00 H new ATOM 956 N TRP A 59 5.274 -6.917 4.628 1.00 0.00 N ATOM 957 CA TRP A 59 3.971 -6.649 4.023 1.00 0.00 C ATOM 958 C TRP A 59 3.141 -7.922 3.844 1.00 0.00 C ATOM 959 O TRP A 59 3.501 -8.830 3.100 1.00 0.00 O ATOM 960 CB TRP A 59 4.157 -5.899 2.703 1.00 0.00 C ATOM 961 CG TRP A 59 4.711 -4.517 2.846 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.859 -4.063 2.291 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.165 -3.401 3.612 1.00 0.00 C ATOM 964 NE1 TRP A 59 6.068 -2.754 2.684 1.00 0.00 N ATOM 965 CE2 TRP A 59 5.084 -2.316 3.536 1.00 0.00 C ATOM 966 CE3 TRP A 59 3.000 -3.198 4.382 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.893 -1.104 4.209 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.783 -1.982 5.057 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.730 -0.938 4.985 1.00 0.00 C ATOM 0 H TRP A 59 6.049 -6.573 4.060 1.00 0.00 H new ATOM 0 HA TRP A 59 3.403 -6.016 4.705 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.821 -6.478 2.061 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.195 -5.840 2.195 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.509 -4.633 1.644 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.856 -2.184 2.379 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.265 -3.986 4.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.623 -0.312 4.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.882 -1.846 5.636 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.563 -0.016 5.523 1.00 0.00 H new ATOM 980 N ASP A 60 2.023 -7.962 4.554 1.00 0.00 N ATOM 981 CA ASP A 60 1.092 -9.081 4.717 1.00 0.00 C ATOM 982 C ASP A 60 -0.352 -8.537 4.692 1.00 0.00 C ATOM 983 O ASP A 60 -0.545 -7.319 4.741 1.00 0.00 O ATOM 984 CB ASP A 60 1.465 -9.814 6.021 1.00 0.00 C ATOM 985 CG ASP A 60 0.273 -10.423 6.749 1.00 0.00 C ATOM 986 OD1 ASP A 60 -0.176 -11.493 6.292 1.00 0.00 O ATOM 987 OD2 ASP A 60 -0.248 -9.727 7.652 1.00 0.00 O ATOM 0 H ASP A 60 1.713 -7.144 5.078 1.00 0.00 H new ATOM 0 HA ASP A 60 1.158 -9.805 3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.180 -10.604 5.791 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.967 -9.114 6.689 1.00 0.00 H new ATOM 992 N GLU A 61 -1.358 -9.413 4.608 1.00 0.00 N ATOM 993 CA GLU A 61 -2.776 -9.020 4.592 1.00 0.00 C ATOM 994 C GLU A 61 -3.148 -8.137 5.797 1.00 0.00 C ATOM 995 O GLU A 61 -3.499 -6.965 5.622 1.00 0.00 O ATOM 996 CB GLU A 61 -3.736 -10.228 4.439 1.00 0.00 C ATOM 997 CG GLU A 61 -3.482 -11.453 5.344 1.00 0.00 C ATOM 998 CD GLU A 61 -4.778 -12.151 5.799 1.00 0.00 C ATOM 999 OE1 GLU A 61 -5.366 -12.929 5.009 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -5.189 -11.868 6.952 1.00 0.00 O ATOM 0 H GLU A 61 -1.214 -10.421 4.549 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.908 -8.412 3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.752 -9.877 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.697 -10.561 3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.860 -12.170 4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.919 -11.137 6.223 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.005 -8.644 7.021 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.370 -7.908 8.227 1.00 0.00 C ATOM 1009 C ASN A 62 -2.355 -6.795 8.553 1.00 0.00 C ATOM 1010 O ASN A 62 -2.751 -5.696 8.939 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.584 -8.896 9.387 1.00 0.00 C ATOM 1012 CG ASN A 62 -5.067 -9.106 9.646 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -5.698 -8.365 10.381 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -5.712 -10.078 9.047 1.00 0.00 N ATOM 0 H ASN A 62 -2.633 -9.576 7.203 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.313 -7.388 8.057 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.112 -9.850 9.151 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.102 -8.517 10.288 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.713 -10.197 9.202 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.213 -10.715 8.426 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.059 -7.024 8.331 1.00 0.00 N ATOM 1022 CA ASN A 63 0.017 -6.046 8.553 1.00 0.00 C ATOM 1023 C ASN A 63 -0.090 -4.798 7.645 1.00 0.00 C ATOM 1024 O ASN A 63 0.106 -3.666 8.091 1.00 0.00 O ATOM 1025 CB ASN A 63 1.348 -6.792 8.348 1.00 0.00 C ATOM 1026 CG ASN A 63 2.576 -6.058 8.856 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.535 -4.965 9.395 1.00 0.00 O ATOM 1028 ND2 ASN A 63 3.742 -6.633 8.691 1.00 0.00 N ATOM 0 H ASN A 63 -0.716 -7.919 7.982 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.057 -5.648 9.565 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.287 -7.758 8.849 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.476 -6.992 7.284 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.591 -6.166 9.011 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.801 -7.547 8.243 1.00 0.00 H new ATOM 1035 N MET A 64 -0.448 -4.982 6.370 1.00 0.00 N ATOM 1036 CA MET A 64 -0.814 -3.867 5.492 1.00 0.00 C ATOM 1037 C MET A 64 -2.161 -3.247 5.894 1.00 0.00 C ATOM 1038 O MET A 64 -2.323 -2.036 5.763 1.00 0.00 O ATOM 1039 CB MET A 64 -0.832 -4.329 4.031 1.00 0.00 C ATOM 1040 CG MET A 64 -0.907 -3.155 3.049 1.00 0.00 C ATOM 1041 SD MET A 64 -1.046 -3.630 1.306 1.00 0.00 S ATOM 1042 CE MET A 64 0.541 -4.484 1.089 1.00 0.00 C ATOM 0 H MET A 64 -0.492 -5.897 5.922 1.00 0.00 H new ATOM 0 HA MET A 64 -0.059 -3.088 5.602 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.065 -4.914 3.826 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.685 -4.988 3.871 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.764 -2.534 3.311 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.017 -2.538 3.173 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.608 -4.875 0.074 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.358 -3.783 1.262 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.612 -5.307 1.800 1.00 0.00 H new ATOM 1052 N SER A 65 -3.117 -4.037 6.406 1.00 0.00 N ATOM 1053 CA SER A 65 -4.409 -3.504 6.864 1.00 0.00 C ATOM 1054 C SER A 65 -4.251 -2.411 7.929 1.00 0.00 C ATOM 1055 O SER A 65 -4.932 -1.395 7.823 1.00 0.00 O ATOM 1056 CB SER A 65 -5.385 -4.603 7.306 1.00 0.00 C ATOM 1057 OG SER A 65 -5.267 -4.939 8.670 1.00 0.00 O ATOM 0 H SER A 65 -3.020 -5.047 6.513 1.00 0.00 H new ATOM 0 HA SER A 65 -4.858 -3.028 5.992 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.405 -4.275 7.107 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.214 -5.495 6.703 1.00 0.00 H new ATOM 0 HG SER A 65 -4.322 -4.924 8.930 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.306 -2.549 8.864 1.00 0.00 N ATOM 1064 CA GLU A 66 -2.928 -1.533 9.860 1.00 0.00 C ATOM 1065 C GLU A 66 -2.406 -0.244 9.191 1.00 0.00 C ATOM 1066 O GLU A 66 -2.973 0.840 9.357 1.00 0.00 O ATOM 1067 CB GLU A 66 -1.890 -2.160 10.810 1.00 0.00 C ATOM 1068 CG GLU A 66 -1.477 -1.263 11.982 1.00 0.00 C ATOM 1069 CD GLU A 66 -2.649 -0.965 12.920 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.479 -0.104 12.542 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -2.711 -1.591 14.002 1.00 0.00 O ATOM 0 H GLU A 66 -2.759 -3.405 8.954 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.804 -1.229 10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.295 -3.091 11.207 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.000 -2.419 10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.678 -1.746 12.544 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.074 -0.326 11.597 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.386 -0.364 8.333 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.856 0.758 7.544 1.00 0.00 C ATOM 1080 C TYR A 67 -1.928 1.449 6.687 1.00 0.00 C ATOM 1081 O TYR A 67 -1.887 2.661 6.513 1.00 0.00 O ATOM 1082 CB TYR A 67 0.309 0.280 6.660 1.00 0.00 C ATOM 1083 CG TYR A 67 1.106 1.369 5.953 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.662 2.427 6.692 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.341 1.305 4.563 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.426 3.432 6.062 1.00 0.00 C ATOM 1087 CE2 TYR A 67 2.138 2.280 3.934 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.685 3.351 4.679 1.00 0.00 C ATOM 1089 OH TYR A 67 3.465 4.289 4.067 1.00 0.00 O ATOM 0 H TYR A 67 -0.902 -1.246 8.165 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.497 1.502 8.255 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.994 -0.299 7.279 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.089 -0.398 5.905 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.502 2.472 7.759 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.908 0.506 3.980 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.811 4.261 6.638 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.333 2.210 2.874 1.00 0.00 H new ATOM 0 HH TYR A 67 2.978 4.676 3.310 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.916 0.715 6.164 1.00 0.00 N ATOM 1100 CA LEU A 68 -4.037 1.303 5.423 1.00 0.00 C ATOM 1101 C LEU A 68 -5.113 1.920 6.341 1.00 0.00 C ATOM 1102 O LEU A 68 -5.898 2.756 5.880 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.631 0.232 4.490 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.679 -0.259 3.383 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -4.337 -1.411 2.621 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -3.311 0.842 2.391 1.00 0.00 C ATOM 0 H LEU A 68 -2.961 -0.301 6.242 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.656 2.136 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.939 -0.624 5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.531 0.634 4.024 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.761 -0.585 3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.665 -1.760 1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.547 -2.230 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.269 -1.066 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.639 0.439 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.215 1.217 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.816 1.657 2.919 1.00 0.00 H new ATOM 1118 N THR A 69 -5.163 1.519 7.617 1.00 0.00 N ATOM 1119 CA THR A 69 -6.002 2.098 8.679 1.00 0.00 C ATOM 1120 C THR A 69 -5.497 3.482 9.091 1.00 0.00 C ATOM 1121 O THR A 69 -6.243 4.455 8.981 1.00 0.00 O ATOM 1122 CB THR A 69 -6.132 1.182 9.905 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.497 -0.126 9.523 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.210 1.673 10.876 1.00 0.00 C ATOM 0 H THR A 69 -4.593 0.744 7.956 1.00 0.00 H new ATOM 0 HA THR A 69 -7.001 2.202 8.255 1.00 0.00 H new ATOM 0 HB THR A 69 -5.155 1.193 10.389 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.756 -0.543 9.036 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.268 0.996 11.728 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.957 2.674 11.225 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.174 1.699 10.367 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.245 3.594 9.558 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.611 4.873 9.901 1.00 0.00 C ATOM 1134 C ASN A 70 -2.110 4.885 9.516 1.00 0.00 C ATOM 1135 O ASN A 70 -1.237 4.694 10.375 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.869 5.205 11.387 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.631 6.680 11.698 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.692 7.312 11.236 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.480 7.295 12.491 1.00 0.00 N ATOM 0 H ASN A 70 -3.638 2.789 9.710 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.065 5.669 9.311 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.895 4.942 11.643 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.218 4.594 12.012 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.349 8.282 12.711 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.270 6.785 12.886 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.764 5.169 8.241 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.381 5.090 7.761 1.00 0.00 C ATOM 1148 C PRO A 71 0.531 6.059 8.510 1.00 0.00 C ATOM 1149 O PRO A 71 1.694 5.771 8.785 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.429 5.419 6.261 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.754 6.163 6.079 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.657 5.588 7.169 1.00 0.00 C ATOM 0 HA PRO A 71 0.034 4.097 7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.418 6.036 5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.394 4.514 5.654 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.626 7.239 6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.172 5.996 5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.369 6.334 7.522 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.238 4.746 6.792 1.00 0.00 H new ATOM 1160 N LYS A 72 -0.036 7.219 8.859 1.00 0.00 N ATOM 1161 CA LYS A 72 0.598 8.371 9.499 1.00 0.00 C ATOM 1162 C LYS A 72 0.986 8.143 10.964 1.00 0.00 C ATOM 1163 O LYS A 72 1.855 8.852 11.463 1.00 0.00 O ATOM 1164 CB LYS A 72 -0.358 9.561 9.328 1.00 0.00 C ATOM 1165 CG LYS A 72 0.356 10.920 9.375 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.552 12.058 8.881 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.798 11.955 7.365 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.741 12.989 6.872 1.00 0.00 N ATOM 0 H LYS A 72 -1.027 7.387 8.687 1.00 0.00 H new ATOM 0 HA LYS A 72 1.555 8.564 9.014 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.881 9.465 8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.114 9.527 10.112 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.676 11.127 10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.256 10.880 8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.504 12.023 9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.094 13.019 9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.151 12.053 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.192 10.966 7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.926 12.836 5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.634 12.925 7.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.325 13.932 7.009 1.00 0.00 H new ATOM 1182 N LYS A 73 0.364 7.171 11.647 1.00 0.00 N ATOM 1183 CA LYS A 73 0.751 6.729 13.000 1.00 0.00 C ATOM 1184 C LYS A 73 1.564 5.433 12.961 1.00 0.00 C ATOM 1185 O LYS A 73 2.498 5.300 13.742 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.494 6.596 13.901 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.278 7.024 15.366 1.00 0.00 C ATOM 1188 CD LYS A 73 0.922 6.367 16.072 1.00 0.00 C ATOM 1189 CE LYS A 73 0.932 6.605 17.586 1.00 0.00 C ATOM 1190 NZ LYS A 73 -0.061 5.745 18.279 1.00 0.00 N ATOM 0 H LYS A 73 -0.435 6.660 11.271 1.00 0.00 H new ATOM 0 HA LYS A 73 1.399 7.492 13.432 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.299 7.196 13.476 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.828 5.558 13.885 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.149 8.106 15.396 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.181 6.795 15.931 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.907 5.294 15.879 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.846 6.755 15.643 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.928 6.403 17.980 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.714 7.653 17.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.028 5.931 19.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.014 5.956 17.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.162 4.745 18.102 1.00 0.00 H new ATOM 1204 N TYR A 74 1.229 4.481 12.088 1.00 0.00 N ATOM 1205 CA TYR A 74 1.966 3.211 11.973 1.00 0.00 C ATOM 1206 C TYR A 74 3.415 3.396 11.497 1.00 0.00 C ATOM 1207 O TYR A 74 4.323 2.707 11.962 1.00 0.00 O ATOM 1208 CB TYR A 74 1.203 2.276 11.032 1.00 0.00 C ATOM 1209 CG TYR A 74 1.643 0.825 11.107 1.00 0.00 C ATOM 1210 CD1 TYR A 74 1.616 0.141 12.339 1.00 0.00 C ATOM 1211 CD2 TYR A 74 2.055 0.145 9.944 1.00 0.00 C ATOM 1212 CE1 TYR A 74 2.028 -1.201 12.412 1.00 0.00 C ATOM 1213 CE2 TYR A 74 2.415 -1.215 10.004 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.412 -1.886 11.245 1.00 0.00 C ATOM 1215 OH TYR A 74 2.813 -3.180 11.344 1.00 0.00 O ATOM 0 H TYR A 74 0.444 4.563 11.442 1.00 0.00 H new ATOM 0 HA TYR A 74 2.032 2.774 12.969 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.139 2.334 11.264 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.326 2.629 10.008 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.278 0.649 13.230 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.095 0.670 9.001 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.050 -1.707 13.366 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.692 -1.742 9.103 1.00 0.00 H new ATOM 0 HH TYR A 74 2.498 -3.681 10.563 1.00 0.00 H new ATOM 1225 N ILE A 75 3.627 4.367 10.606 1.00 0.00 N ATOM 1226 CA ILE A 75 4.940 4.864 10.186 1.00 0.00 C ATOM 1227 C ILE A 75 5.045 6.363 10.545 1.00 0.00 C ATOM 1228 O ILE A 75 4.776 7.223 9.699 1.00 0.00 O ATOM 1229 CB ILE A 75 5.193 4.586 8.688 1.00 0.00 C ATOM 1230 CG1 ILE A 75 4.973 3.122 8.248 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.616 5.038 8.306 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.954 2.108 8.836 1.00 0.00 C ATOM 0 H ILE A 75 2.859 4.848 10.139 1.00 0.00 H new ATOM 0 HA ILE A 75 5.726 4.330 10.720 1.00 0.00 H new ATOM 0 HB ILE A 75 4.440 5.165 8.154 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.961 2.825 8.524 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.034 3.074 7.161 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.789 4.840 7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.722 6.106 8.497 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.345 4.489 8.902 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.713 1.112 8.465 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.970 2.370 8.540 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.879 2.118 9.923 1.00 0.00 H new ATOM 1244 N PRO A 76 5.422 6.711 11.791 1.00 0.00 N ATOM 1245 CA PRO A 76 5.505 8.100 12.242 1.00 0.00 C ATOM 1246 C PRO A 76 6.609 8.843 11.471 1.00 0.00 C ATOM 1247 O PRO A 76 7.796 8.625 11.699 1.00 0.00 O ATOM 1248 CB PRO A 76 5.748 8.029 13.753 1.00 0.00 C ATOM 1249 CG PRO A 76 6.462 6.691 13.941 1.00 0.00 C ATOM 1250 CD PRO A 76 5.863 5.808 12.847 1.00 0.00 C ATOM 0 HA PRO A 76 4.596 8.669 12.046 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.360 8.862 14.100 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.813 8.066 14.311 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.541 6.793 13.828 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.283 6.277 14.933 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.601 5.100 12.471 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.028 5.223 13.233 1.00 0.00 H new ATOM 1258 N GLY A 77 6.198 9.666 10.500 1.00 0.00 N ATOM 1259 CA GLY A 77 7.070 10.353 9.537 1.00 0.00 C ATOM 1260 C GLY A 77 6.830 10.008 8.058 1.00 0.00 C ATOM 1261 O GLY A 77 7.491 10.578 7.194 1.00 0.00 O ATOM 0 H GLY A 77 5.211 9.881 10.357 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.946 11.428 9.665 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.106 10.120 9.782 1.00 0.00 H new ATOM 1265 N THR A 78 5.905 9.096 7.728 1.00 0.00 N ATOM 1266 CA THR A 78 5.686 8.664 6.333 1.00 0.00 C ATOM 1267 C THR A 78 5.282 9.790 5.370 1.00 0.00 C ATOM 1268 O THR A 78 4.289 10.498 5.558 1.00 0.00 O ATOM 1269 CB THR A 78 4.695 7.496 6.223 1.00 0.00 C ATOM 1270 OG1 THR A 78 4.609 7.063 4.882 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.272 7.791 6.692 1.00 0.00 C ATOM 0 H THR A 78 5.294 8.641 8.406 1.00 0.00 H new ATOM 0 HA THR A 78 6.670 8.321 6.014 1.00 0.00 H new ATOM 0 HB THR A 78 5.102 6.738 6.892 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.237 6.157 4.854 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.657 6.899 6.571 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.288 8.081 7.743 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.854 8.604 6.098 1.00 0.00 H new ATOM 1279 N LYS A 79 6.002 9.857 4.245 1.00 0.00 N ATOM 1280 CA LYS A 79 5.682 10.630 3.031 1.00 0.00 C ATOM 1281 C LYS A 79 4.334 10.220 2.386 1.00 0.00 C ATOM 1282 O LYS A 79 3.766 10.988 1.610 1.00 0.00 O ATOM 1283 CB LYS A 79 6.913 10.483 2.113 1.00 0.00 C ATOM 1284 CG LYS A 79 6.870 11.143 0.722 1.00 0.00 C ATOM 1285 CD LYS A 79 8.145 10.772 -0.061 1.00 0.00 C ATOM 1286 CE LYS A 79 7.945 10.850 -1.583 1.00 0.00 C ATOM 1287 NZ LYS A 79 8.828 9.895 -2.300 1.00 0.00 N ATOM 0 H LYS A 79 6.878 9.343 4.148 1.00 0.00 H new ATOM 0 HA LYS A 79 5.509 11.683 3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.775 10.886 2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.096 9.418 1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.986 10.811 0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.794 12.226 0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.954 11.442 0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.453 9.762 0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.904 10.636 -1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.150 11.864 -1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.295 9.437 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.640 10.407 -2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.169 9.171 -1.635 1.00 0.00 H new ATOM 1301 N MET A 80 3.741 9.079 2.779 1.00 0.00 N ATOM 1302 CA MET A 80 2.344 8.704 2.532 1.00 0.00 C ATOM 1303 C MET A 80 1.378 9.602 3.331 1.00 0.00 C ATOM 1304 O MET A 80 0.729 9.190 4.296 1.00 0.00 O ATOM 1305 CB MET A 80 2.152 7.200 2.829 1.00 0.00 C ATOM 1306 CG MET A 80 0.756 6.695 2.453 1.00 0.00 C ATOM 1307 SD MET A 80 0.644 4.939 1.966 1.00 0.00 S ATOM 1308 CE MET A 80 -1.112 4.653 2.296 1.00 0.00 C ATOM 0 H MET A 80 4.248 8.364 3.300 1.00 0.00 H new ATOM 0 HA MET A 80 2.103 8.866 1.481 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.900 6.628 2.281 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.326 7.019 3.890 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.091 6.859 3.301 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.380 7.304 1.631 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.364 3.621 2.054 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.319 4.839 3.350 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.712 5.326 1.684 1.00 0.00 H new ATOM 1318 N ALA A 81 1.226 10.853 2.891 1.00 0.00 N ATOM 1319 CA ALA A 81 0.364 11.861 3.511 1.00 0.00 C ATOM 1320 C ALA A 81 -1.152 11.569 3.492 1.00 0.00 C ATOM 1321 O ALA A 81 -1.922 12.261 4.161 1.00 0.00 O ATOM 1322 CB ALA A 81 0.682 13.218 2.874 1.00 0.00 C ATOM 0 H ALA A 81 1.715 11.203 2.067 1.00 0.00 H new ATOM 0 HA ALA A 81 0.596 11.851 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.051 13.986 3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.730 13.464 3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.492 13.170 1.802 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.529 10.496 2.801 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.863 9.959 2.479 1.00 0.00 C ATOM 1330 C PHE A 82 -3.846 9.845 3.662 1.00 0.00 C ATOM 1331 O PHE A 82 -5.054 9.959 3.489 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.643 8.586 1.820 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.905 7.788 1.552 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.823 8.215 0.574 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.176 6.626 2.299 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -6.002 7.483 0.343 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.353 5.896 2.071 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.269 6.327 1.097 1.00 0.00 C ATOM 0 H PHE A 82 -0.811 9.896 2.395 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.351 10.674 1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.119 8.734 0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.988 7.995 2.460 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.622 9.107 -0.001 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.475 6.295 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.701 7.809 -0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.554 5.003 2.644 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.179 5.770 0.927 1.00 0.00 H new ATOM 1348 N GLY A 83 -3.353 9.654 4.886 1.00 0.00 N ATOM 1349 CA GLY A 83 -4.154 9.730 6.120 1.00 0.00 C ATOM 1350 C GLY A 83 -4.951 8.471 6.485 1.00 0.00 C ATOM 1351 O GLY A 83 -5.079 8.185 7.671 1.00 0.00 O ATOM 0 H GLY A 83 -2.371 9.438 5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.486 9.966 6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.851 10.562 6.026 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.437 7.708 5.496 1.00 0.00 N ATOM 1356 CA GLY A 84 -5.933 6.331 5.657 1.00 0.00 C ATOM 1357 C GLY A 84 -7.356 6.062 5.139 1.00 0.00 C ATOM 1358 O GLY A 84 -8.233 6.934 5.122 1.00 0.00 O ATOM 0 H GLY A 84 -5.498 8.040 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.247 5.657 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.899 6.075 6.716 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.632 4.800 4.799 1.00 0.00 N ATOM 1363 CA LEU A 85 -8.955 4.262 4.453 1.00 0.00 C ATOM 1364 C LEU A 85 -9.734 3.870 5.720 1.00 0.00 C ATOM 1365 O LEU A 85 -10.012 2.700 5.972 1.00 0.00 O ATOM 1366 CB LEU A 85 -8.798 3.034 3.537 1.00 0.00 C ATOM 1367 CG LEU A 85 -8.468 3.275 2.066 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -8.363 1.919 1.364 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -9.560 4.078 1.356 1.00 0.00 C ATOM 0 H LEU A 85 -6.903 4.088 4.755 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.515 5.037 3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.014 2.403 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.725 2.463 3.582 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.535 3.837 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.127 2.072 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.575 1.328 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.312 1.390 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.283 4.225 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.503 3.534 1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.673 5.047 1.842 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.152 4.848 6.522 1.00 0.00 N ATOM 1382 CA LYS A 86 -10.875 4.638 7.797 1.00 0.00 C ATOM 1383 C LYS A 86 -12.036 3.613 7.778 1.00 0.00 C ATOM 1384 O LYS A 86 -12.214 2.897 8.759 1.00 0.00 O ATOM 1385 CB LYS A 86 -11.285 6.011 8.361 1.00 0.00 C ATOM 1386 CG LYS A 86 -12.258 6.815 7.469 1.00 0.00 C ATOM 1387 CD LYS A 86 -11.935 8.317 7.501 1.00 0.00 C ATOM 1388 CE LYS A 86 -12.927 9.093 6.626 1.00 0.00 C ATOM 1389 NZ LYS A 86 -12.546 10.522 6.490 1.00 0.00 N ATOM 0 H LYS A 86 -9.999 5.834 6.308 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.174 4.144 8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.747 5.864 9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.386 6.606 8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.200 6.450 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.282 6.654 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.980 8.684 8.526 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.918 8.485 7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.975 8.635 5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.925 9.023 7.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.242 11.011 5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.525 10.967 7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.605 10.590 6.053 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.788 3.480 6.675 1.00 0.00 N ATOM 1404 CA LYS A 87 -13.840 2.461 6.484 1.00 0.00 C ATOM 1405 C LYS A 87 -13.236 1.057 6.330 1.00 0.00 C ATOM 1406 O LYS A 87 -12.507 0.805 5.378 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.682 2.794 5.239 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.627 3.994 5.430 1.00 0.00 C ATOM 1409 CD LYS A 87 -16.371 4.353 4.132 1.00 0.00 C ATOM 1410 CE LYS A 87 -17.389 3.279 3.714 1.00 0.00 C ATOM 1411 NZ LYS A 87 -17.476 3.146 2.242 1.00 0.00 N ATOM 0 H LYS A 87 -12.681 4.093 5.867 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.475 2.470 7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.013 3.000 4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.272 1.919 4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.351 3.764 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.054 4.857 5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.887 5.304 4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.646 4.493 3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.106 2.321 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.370 3.533 4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.711 2.163 1.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.216 3.781 1.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.562 3.400 1.816 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.566 0.134 7.236 1.00 0.00 N ATOM 1426 CA GLU A 88 -13.100 -1.273 7.225 1.00 0.00 C ATOM 1427 C GLU A 88 -13.333 -1.981 5.876 1.00 0.00 C ATOM 1428 O GLU A 88 -12.376 -2.370 5.219 1.00 0.00 O ATOM 1429 CB GLU A 88 -13.798 -2.022 8.372 1.00 0.00 C ATOM 1430 CG GLU A 88 -13.383 -3.498 8.538 1.00 0.00 C ATOM 1431 CD GLU A 88 -14.618 -4.397 8.652 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -15.498 -4.127 9.501 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -14.823 -5.285 7.791 1.00 0.00 O ATOM 0 H GLU A 88 -14.181 0.340 8.023 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.019 -1.276 7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.595 -1.497 9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.875 -1.980 8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.778 -3.809 7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.763 -3.609 9.427 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.589 -2.101 5.436 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.015 -2.792 4.208 1.00 0.00 C ATOM 1442 C LYS A 89 -14.182 -2.394 2.995 1.00 0.00 C ATOM 1443 O LYS A 89 -13.643 -3.245 2.298 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.503 -2.514 3.947 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.415 -2.584 5.178 1.00 0.00 C ATOM 1446 CD LYS A 89 -17.450 -3.980 5.824 1.00 0.00 C ATOM 1447 CE LYS A 89 -17.905 -3.883 7.284 1.00 0.00 C ATOM 1448 NZ LYS A 89 -17.526 -5.091 8.046 1.00 0.00 N ATOM 0 H LYS A 89 -15.376 -1.702 5.948 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.859 -3.860 4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.597 -1.523 3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.864 -3.230 3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.076 -1.857 5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.427 -2.298 4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.127 -4.628 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -16.461 -4.435 5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.460 -3.003 7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.986 -3.751 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.123 -4.811 8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.368 -5.681 8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.819 -5.633 7.509 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.038 -1.086 2.814 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.243 -0.448 1.786 1.00 0.00 C ATOM 1464 C ASP A 90 -11.798 -0.953 1.802 1.00 0.00 C ATOM 1465 O ASP A 90 -11.285 -1.280 0.738 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.293 1.074 1.977 1.00 0.00 C ATOM 1467 CG ASP A 90 -14.688 1.711 1.924 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -15.677 1.120 2.410 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -14.816 2.869 1.460 1.00 0.00 O ATOM 0 H ASP A 90 -14.502 -0.409 3.419 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.661 -0.703 0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.841 1.315 2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.674 1.538 1.209 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.157 -1.083 2.978 1.00 0.00 N ATOM 1475 CA ARG A 91 -9.831 -1.723 3.112 1.00 0.00 C ATOM 1476 C ARG A 91 -9.837 -3.201 2.764 1.00 0.00 C ATOM 1477 O ARG A 91 -8.876 -3.651 2.149 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.228 -1.584 4.522 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.022 -0.117 4.867 1.00 0.00 C ATOM 1480 CD ARG A 91 -8.033 0.140 6.009 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.370 -0.501 7.290 1.00 0.00 N ATOM 1482 CZ ARG A 91 -9.330 -0.184 8.137 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -10.288 0.649 7.848 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -9.311 -0.682 9.336 1.00 0.00 N ATOM 0 H ARG A 91 -11.541 -0.749 3.862 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.217 -1.180 2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.889 -2.047 5.255 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.276 -2.113 4.572 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.672 0.406 3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.985 0.318 5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.047 -0.204 5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.959 1.216 6.168 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.786 -1.293 7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.320 1.091 6.929 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.007 0.860 8.540 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.559 -1.312 9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.048 -0.443 9.999 1.00 0.00 H new ATOM 1498 N ASN A 92 -10.870 -3.948 3.139 1.00 0.00 N ATOM 1499 CA ASN A 92 -10.901 -5.394 2.903 1.00 0.00 C ATOM 1500 C ASN A 92 -11.067 -5.708 1.408 1.00 0.00 C ATOM 1501 O ASN A 92 -10.369 -6.576 0.881 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.001 -6.067 3.730 1.00 0.00 C ATOM 1503 CG ASN A 92 -11.840 -5.953 5.236 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -10.986 -5.269 5.776 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -12.726 -6.614 5.943 1.00 0.00 N ATOM 0 H ASN A 92 -11.698 -3.580 3.607 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.943 -5.802 3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -12.961 -5.633 3.450 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.039 -7.123 3.464 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.708 -6.561 6.961 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.433 -7.181 5.474 1.00 0.00 H new ATOM 1512 N ASP A 93 -11.946 -4.996 0.704 1.00 0.00 N ATOM 1513 CA ASP A 93 -11.999 -5.002 -0.754 1.00 0.00 C ATOM 1514 C ASP A 93 -10.684 -4.498 -1.396 1.00 0.00 C ATOM 1515 O ASP A 93 -10.244 -5.088 -2.386 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.230 -4.204 -1.208 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.519 -5.031 -1.102 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.776 -5.832 -2.031 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.370 -4.784 -0.218 1.00 0.00 O ATOM 0 H ASP A 93 -12.647 -4.394 1.135 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.101 -6.029 -1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.324 -3.305 -0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.091 -3.878 -2.239 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.003 -3.488 -0.826 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.677 -3.022 -1.281 1.00 0.00 C ATOM 1526 C LEU A 94 -7.616 -4.131 -1.200 1.00 0.00 C ATOM 1527 O LEU A 94 -6.942 -4.408 -2.188 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.205 -1.782 -0.484 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.601 -0.626 -1.300 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -6.397 -1.032 -2.147 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -8.645 0.075 -2.171 1.00 0.00 C ATOM 0 H LEU A 94 -10.361 -2.965 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.794 -2.740 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.055 -1.394 0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.463 -2.108 0.245 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.240 0.079 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.027 -0.164 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.609 -1.416 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.694 -1.806 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.171 0.883 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.077 -0.642 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.432 0.484 -1.537 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.490 -4.781 -0.037 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.599 -5.928 0.191 1.00 0.00 C ATOM 1545 C ILE A 95 -6.940 -7.035 -0.805 1.00 0.00 C ATOM 1546 O ILE A 95 -6.049 -7.511 -1.505 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.678 -6.415 1.657 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.099 -5.344 2.613 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -5.912 -7.738 1.862 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -6.607 -5.493 4.051 1.00 0.00 C ATOM 0 H ILE A 95 -8.019 -4.518 0.795 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.565 -5.624 0.026 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.731 -6.585 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.011 -5.410 2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.360 -4.353 2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.991 -8.047 2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.340 -8.509 1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.862 -7.594 1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.167 -4.715 4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.693 -5.399 4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.323 -6.472 4.438 1.00 0.00 H new ATOM 1562 N THR A 96 -8.224 -7.399 -0.929 1.00 0.00 N ATOM 1563 CA THR A 96 -8.706 -8.384 -1.918 1.00 0.00 C ATOM 1564 C THR A 96 -8.225 -8.054 -3.338 1.00 0.00 C ATOM 1565 O THR A 96 -7.731 -8.939 -4.039 1.00 0.00 O ATOM 1566 CB THR A 96 -10.243 -8.519 -1.916 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.745 -8.790 -0.627 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.719 -9.687 -2.780 1.00 0.00 C ATOM 0 H THR A 96 -8.966 -7.017 -0.343 1.00 0.00 H new ATOM 0 HA THR A 96 -8.278 -9.339 -1.613 1.00 0.00 H new ATOM 0 HB THR A 96 -10.604 -7.564 -2.298 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.664 -7.988 -0.069 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.807 -9.743 -2.748 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.393 -9.535 -3.809 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.296 -10.617 -2.399 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.340 -6.792 -3.767 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.813 -6.328 -5.054 1.00 0.00 C ATOM 1578 C TYR A 97 -6.292 -6.449 -5.151 1.00 0.00 C ATOM 1579 O TYR A 97 -5.795 -7.118 -6.052 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.241 -4.881 -5.336 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.437 -4.222 -6.445 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.457 -4.768 -7.741 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.586 -3.137 -6.155 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.626 -4.244 -8.748 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.741 -2.619 -7.156 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.751 -3.180 -8.451 1.00 0.00 C ATOM 1587 OH TYR A 97 -4.898 -2.717 -9.400 1.00 0.00 O ATOM 0 H TYR A 97 -8.804 -6.061 -3.228 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.241 -6.985 -5.811 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.297 -4.868 -5.605 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.137 -4.294 -4.423 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.115 -5.595 -7.965 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.582 -2.703 -5.166 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.659 -4.656 -9.746 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.084 -1.791 -6.932 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.366 -1.981 -9.031 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.553 -5.776 -4.268 1.00 0.00 N ATOM 1598 CA LEU A 98 -4.107 -5.612 -4.423 1.00 0.00 C ATOM 1599 C LEU A 98 -3.385 -6.953 -4.345 1.00 0.00 C ATOM 1600 O LEU A 98 -2.472 -7.203 -5.121 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.576 -4.600 -3.394 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.788 -3.464 -4.069 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -2.636 -2.291 -3.105 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.393 -3.909 -4.502 1.00 0.00 C ATOM 0 H LEU A 98 -5.935 -5.333 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.903 -5.211 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.410 -4.180 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.934 -5.112 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.352 -3.170 -4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.077 -1.491 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.622 -1.924 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.100 -2.619 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.875 -3.074 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.830 -4.240 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.478 -4.731 -5.213 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.893 -7.861 -3.511 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.533 -9.283 -3.519 1.00 0.00 C ATOM 1618 C LYS A 99 -3.642 -9.857 -4.939 1.00 0.00 C ATOM 1619 O LYS A 99 -2.631 -10.283 -5.487 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.372 -10.010 -2.450 1.00 0.00 C ATOM 1621 CG LYS A 99 -4.008 -11.486 -2.219 1.00 0.00 C ATOM 1622 CD LYS A 99 -4.807 -12.447 -3.107 1.00 0.00 C ATOM 1623 CE LYS A 99 -4.469 -13.891 -2.727 1.00 0.00 C ATOM 1624 NZ LYS A 99 -5.164 -14.852 -3.610 1.00 0.00 N ATOM 0 H LYS A 99 -4.581 -7.626 -2.795 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.489 -9.433 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.269 -9.476 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.422 -9.953 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.944 -11.626 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.182 -11.738 -1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.875 -12.268 -2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.571 -12.271 -4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.392 -14.045 -2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.754 -14.073 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.480 -15.544 -3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.903 -15.347 -3.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.599 -14.341 -4.405 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.827 -9.782 -5.558 1.00 0.00 N ATOM 1639 CA LYS A 100 -5.171 -10.273 -6.919 1.00 0.00 C ATOM 1640 C LYS A 100 -4.532 -9.500 -8.090 1.00 0.00 C ATOM 1641 O LYS A 100 -4.758 -9.821 -9.254 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.703 -10.256 -7.033 1.00 0.00 C ATOM 1643 CG LYS A 100 -7.357 -11.156 -8.104 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.910 -12.629 -8.079 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.765 -12.872 -9.069 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.976 -14.075 -8.729 1.00 0.00 N ATOM 0 H LYS A 100 -5.630 -9.351 -5.101 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.753 -11.275 -7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.114 -10.537 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.013 -9.229 -7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.439 -11.118 -7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.137 -10.742 -9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.589 -12.898 -7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.753 -13.273 -8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.173 -12.980 -10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.109 -12.002 -9.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.119 -14.106 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.706 -14.041 -7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.547 -14.926 -8.905 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.812 -8.433 -7.762 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.946 -7.643 -8.642 1.00 0.00 C ATOM 1662 C ALA A 101 -1.435 -7.940 -8.472 1.00 0.00 C ATOM 1663 O ALA A 101 -0.616 -7.407 -9.223 1.00 0.00 O ATOM 1664 CB ALA A 101 -3.264 -6.158 -8.418 1.00 0.00 C ATOM 0 H ALA A 101 -3.815 -8.069 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.159 -7.928 -9.672 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.631 -5.549 -9.063 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.311 -5.970 -8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.076 -5.899 -7.376 1.00 0.00 H new ATOM 1670 N THR A 102 -1.066 -8.792 -7.508 1.00 0.00 N ATOM 1671 CA THR A 102 0.312 -9.264 -7.251 1.00 0.00 C ATOM 1672 C THR A 102 0.480 -10.782 -7.440 1.00 0.00 C ATOM 1673 O THR A 102 1.596 -11.239 -7.671 1.00 0.00 O ATOM 1674 CB THR A 102 0.797 -8.882 -5.845 1.00 0.00 C ATOM 1675 OG1 THR A 102 -0.033 -9.390 -4.822 1.00 0.00 O ATOM 1676 CG2 THR A 102 0.895 -7.365 -5.677 1.00 0.00 C ATOM 0 H THR A 102 -1.742 -9.191 -6.856 1.00 0.00 H new ATOM 0 HA THR A 102 0.924 -8.759 -7.998 1.00 0.00 H new ATOM 0 HB THR A 102 1.785 -9.333 -5.749 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.851 -9.759 -5.217 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.241 -7.132 -4.670 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.600 -6.963 -6.405 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.086 -6.917 -5.836 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.620 -11.542 -7.408 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.794 -12.954 -7.808 1.00 0.00 C ATOM 1686 C GLU A 103 -2.113 -13.118 -8.558 1.00 0.00 C ATOM 1687 O GLU A 103 -2.324 -14.162 -9.211 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.747 -13.897 -6.588 1.00 0.00 C ATOM 1689 CG GLU A 103 -1.865 -13.730 -5.536 1.00 0.00 C ATOM 1690 CD GLU A 103 -3.132 -14.593 -5.732 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -3.190 -15.731 -5.211 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -4.224 -14.064 -6.074 1.00 0.00 O ATOM 1693 OXT GLU A 103 -2.974 -12.228 -8.411 1.00 0.00 O ATOM 0 H GLU A 103 -1.499 -11.152 -7.069 1.00 0.00 H new ATOM 0 HA GLU A 103 0.032 -13.227 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.773 -14.924 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.212 -13.760 -6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.447 -13.956 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.165 -12.682 -5.521 1.00 0.00 H new