USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 850 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 32 TYR OH : rot 108:sc= 0.279 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 168:sc= 0.00237 (180deg=-0.104) USER MOD Set 2.1: A 36 CYS SG : rot -170:sc= -0.363 USER MOD Set 2.2: A 39 CYS SG : rot 28:sc= -2.34 USER MOD Set 3.1: A 22 ASN :FLIP amide:sc= -3.56 F(o=-6.7!,f=-3.9) USER MOD Set 3.2: A 23 ASN :FLIP amide:sc= -0.365 F(o=-6.3,f=-3.9) USER MOD Set 4.1: A 13 THR OG1 : rot -64:sc= 0.446 USER MOD Set 4.2: A 16 ASN : amide:sc= -0.585 K(o=-0.14,f=-3.4) USER MOD Single : A 9 THR OG1 : rot 100:sc= -0.328 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 121:sc= 1.09 USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00941) USER MOD Single : A 51 LYS NZ :NH3+ -145:sc= -0.526 (180deg=-1.94!) USER MOD Single : A 54 SER OG : rot -38:sc= 1.2 USER MOD Single : A 55 LYS NZ :NH3+ 153:sc=-0.00824 (180deg=-0.775) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 170:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -6.67! C(o=-6.7!,f=-17!) USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.000289 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -55:sc= 0.115 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -52:sc= 0.0394 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 150:sc= -0.786 (180deg=-2.23!) USER MOD Single : A 96 TYR OH : rot -158:sc= 0.0244 USER MOD Single : A 97 ASN : amide:sc= 0.623 K(o=0.62,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 164:sc= 0.233 (180deg=-0.037) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot -133:sc= 0.0236 USER MOD Single : A 109 MET CE :methyl -174:sc= -1.89 (180deg=-2.2) USER MOD Single : A 112 GLN : amide:sc= -0.728 X(o=-0.73,f=-0.42) USER MOD Single : A 113 SER OG : rot -64:sc= 0.547 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -0.056 -2.981 -11.779 1.00 0.00 N ATOM 67 CA VAL A 8 0.274 -4.083 -10.882 1.00 0.00 C ATOM 68 C VAL A 8 -0.450 -3.941 -9.548 1.00 0.00 C ATOM 69 O VAL A 8 -0.921 -4.924 -8.976 1.00 0.00 O ATOM 70 CB VAL A 8 1.791 -4.162 -10.625 1.00 0.00 C ATOM 71 CG1 VAL A 8 2.508 -4.742 -11.834 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.344 -2.788 -10.275 1.00 0.00 C ATOM 0 HA VAL A 8 -0.052 -5.000 -11.373 1.00 0.00 H new ATOM 0 HB VAL A 8 1.964 -4.825 -9.777 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.578 -4.790 -11.634 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.131 -5.745 -12.034 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.329 -4.107 -12.702 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.417 -2.862 -10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.160 -2.101 -11.101 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.852 -2.416 -9.377 1.00 0.00 H new ATOM 82 N THR A 9 -0.536 -2.709 -9.056 1.00 0.00 N ATOM 83 CA THR A 9 -1.202 -2.437 -7.788 1.00 0.00 C ATOM 84 C THR A 9 -2.718 -2.471 -7.945 1.00 0.00 C ATOM 85 O THR A 9 -3.257 -2.039 -8.966 1.00 0.00 O ATOM 86 CB THR A 9 -0.787 -1.068 -7.218 1.00 0.00 C ATOM 87 OG1 THR A 9 0.538 -0.739 -7.647 1.00 0.00 O ATOM 88 CG2 THR A 9 -0.846 -1.074 -5.698 1.00 0.00 C ATOM 0 H THR A 9 -0.153 -1.884 -9.517 1.00 0.00 H new ATOM 0 HA THR A 9 -0.894 -3.220 -7.095 1.00 0.00 H new ATOM 0 HB THR A 9 -1.485 -0.318 -7.590 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.492 -0.117 -8.403 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.549 -0.096 -5.318 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.863 -1.295 -5.374 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.169 -1.835 -5.311 1.00 0.00 H new ATOM 96 N LEU A 10 -3.402 -2.986 -6.929 1.00 0.00 N ATOM 97 CA LEU A 10 -4.858 -3.076 -6.955 1.00 0.00 C ATOM 98 C LEU A 10 -5.487 -1.948 -6.143 1.00 0.00 C ATOM 99 O LEU A 10 -4.985 -1.580 -5.081 1.00 0.00 O ATOM 100 CB LEU A 10 -5.315 -4.429 -6.407 1.00 0.00 C ATOM 101 CG LEU A 10 -4.602 -5.657 -6.975 1.00 0.00 C ATOM 102 CD1 LEU A 10 -4.551 -6.771 -5.940 1.00 0.00 C ATOM 103 CD2 LEU A 10 -5.294 -6.137 -8.243 1.00 0.00 C ATOM 0 H LEU A 10 -2.972 -3.347 -6.078 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.185 -2.981 -7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.182 -4.424 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.383 -4.534 -6.597 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.580 -5.375 -7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.040 -7.637 -6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.011 -6.425 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.566 -7.051 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.773 -7.011 -8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.327 -6.401 -8.016 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.278 -5.343 -8.989 1.00 0.00 H new ATOM 115 N SER A 11 -6.589 -1.405 -6.650 1.00 0.00 N ATOM 116 CA SER A 11 -7.287 -0.318 -5.973 1.00 0.00 C ATOM 117 C SER A 11 -8.454 -0.851 -5.147 1.00 0.00 C ATOM 118 O SER A 11 -9.511 -1.180 -5.686 1.00 0.00 O ATOM 119 CB SER A 11 -7.793 0.705 -6.992 1.00 0.00 C ATOM 120 OG SER A 11 -8.491 1.760 -6.353 1.00 0.00 O ATOM 0 H SER A 11 -7.018 -1.700 -7.527 1.00 0.00 H new ATOM 0 HA SER A 11 -6.582 0.169 -5.300 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.951 1.110 -7.554 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.449 0.213 -7.710 1.00 0.00 H new ATOM 0 HG SER A 11 -8.803 2.401 -7.026 1.00 0.00 H new ATOM 126 N LEU A 12 -8.254 -0.934 -3.837 1.00 0.00 N ATOM 127 CA LEU A 12 -9.289 -1.428 -2.935 1.00 0.00 C ATOM 128 C LEU A 12 -10.077 -0.273 -2.327 1.00 0.00 C ATOM 129 O LEU A 12 -9.505 0.739 -1.920 1.00 0.00 O ATOM 130 CB LEU A 12 -8.664 -2.275 -1.825 1.00 0.00 C ATOM 131 CG LEU A 12 -7.678 -3.353 -2.276 1.00 0.00 C ATOM 132 CD1 LEU A 12 -6.743 -3.732 -1.139 1.00 0.00 C ATOM 133 CD2 LEU A 12 -8.424 -4.577 -2.786 1.00 0.00 C ATOM 0 H LEU A 12 -7.385 -0.666 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.975 -2.047 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.150 -1.608 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.467 -2.756 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.078 -2.951 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.049 -4.500 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.183 -2.853 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.326 -4.115 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.707 -5.334 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.049 -4.980 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.051 -4.295 -3.632 1.00 0.00 H new ATOM 145 N THR A 13 -11.396 -0.431 -2.265 1.00 0.00 N ATOM 146 CA THR A 13 -12.264 0.598 -1.706 1.00 0.00 C ATOM 147 C THR A 13 -13.036 0.071 -0.502 1.00 0.00 C ATOM 148 O THR A 13 -12.933 -1.105 -0.151 1.00 0.00 O ATOM 149 CB THR A 13 -13.264 1.121 -2.754 1.00 0.00 C ATOM 150 OG1 THR A 13 -14.082 0.045 -3.229 1.00 0.00 O ATOM 151 CG2 THR A 13 -12.535 1.765 -3.924 1.00 0.00 C ATOM 0 H THR A 13 -11.886 -1.262 -2.595 1.00 0.00 H new ATOM 0 HA THR A 13 -11.619 1.418 -1.390 1.00 0.00 H new ATOM 0 HB THR A 13 -13.893 1.874 -2.280 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.523 -0.606 -3.703 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.262 2.127 -4.651 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.936 2.601 -3.564 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.884 1.029 -4.397 1.00 0.00 H new ATOM 159 N LYS A 14 -13.810 0.948 0.129 1.00 0.00 N ATOM 160 CA LYS A 14 -14.602 0.571 1.293 1.00 0.00 C ATOM 161 C LYS A 14 -15.846 -0.208 0.877 1.00 0.00 C ATOM 162 O LYS A 14 -16.865 -0.185 1.567 1.00 0.00 O ATOM 163 CB LYS A 14 -15.009 1.816 2.084 1.00 0.00 C ATOM 164 CG LYS A 14 -16.107 2.628 1.418 1.00 0.00 C ATOM 165 CD LYS A 14 -16.669 3.682 2.358 1.00 0.00 C ATOM 166 CE LYS A 14 -17.831 4.431 1.724 1.00 0.00 C ATOM 167 NZ LYS A 14 -17.372 5.634 0.976 1.00 0.00 N ATOM 0 H LYS A 14 -13.905 1.925 -0.147 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.988 -0.070 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.344 1.513 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.133 2.450 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.713 3.110 0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -16.908 1.963 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.001 3.208 3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.883 4.388 2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.367 3.765 1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.536 4.732 2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.193 6.117 0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.883 6.281 1.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.719 5.345 0.220 1.00 0.00 H new ATOM 181 N ASP A 15 -15.755 -0.897 -0.255 1.00 0.00 N ATOM 182 CA ASP A 15 -16.872 -1.686 -0.762 1.00 0.00 C ATOM 183 C ASP A 15 -16.404 -3.068 -1.207 1.00 0.00 C ATOM 184 O ASP A 15 -17.191 -4.012 -1.261 1.00 0.00 O ATOM 185 CB ASP A 15 -17.546 -0.963 -1.929 1.00 0.00 C ATOM 186 CG ASP A 15 -18.454 -1.875 -2.729 1.00 0.00 C ATOM 187 OD1 ASP A 15 -19.281 -2.578 -2.112 1.00 0.00 O ATOM 188 OD2 ASP A 15 -18.337 -1.888 -3.973 1.00 0.00 O ATOM 0 H ASP A 15 -14.919 -0.925 -0.839 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.594 -1.809 0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.126 -0.123 -1.546 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.781 -0.549 -2.586 1.00 0.00 H new ATOM 193 N ASN A 16 -15.118 -3.178 -1.524 1.00 0.00 N ATOM 194 CA ASN A 16 -14.546 -4.445 -1.966 1.00 0.00 C ATOM 195 C ASN A 16 -13.220 -4.718 -1.262 1.00 0.00 C ATOM 196 O ASN A 16 -12.405 -5.510 -1.734 1.00 0.00 O ATOM 197 CB ASN A 16 -14.339 -4.434 -3.481 1.00 0.00 C ATOM 198 CG ASN A 16 -13.658 -3.168 -3.963 1.00 0.00 C ATOM 199 OD1 ASN A 16 -14.315 -2.232 -4.419 1.00 0.00 O ATOM 200 ND2 ASN A 16 -12.334 -3.133 -3.864 1.00 0.00 N ATOM 0 H ASN A 16 -14.453 -2.406 -1.483 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.245 -5.241 -1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -13.740 -5.298 -3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -15.304 -4.536 -3.977 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.821 -2.307 -4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.830 -3.932 -3.480 1.00 0.00 H new ATOM 207 N PHE A 17 -13.011 -4.055 -0.129 1.00 0.00 N ATOM 208 CA PHE A 17 -11.784 -4.225 0.641 1.00 0.00 C ATOM 209 C PHE A 17 -11.776 -5.570 1.362 1.00 0.00 C ATOM 210 O PHE A 17 -10.805 -6.323 1.283 1.00 0.00 O ATOM 211 CB PHE A 17 -11.632 -3.090 1.655 1.00 0.00 C ATOM 212 CG PHE A 17 -10.382 -3.189 2.483 1.00 0.00 C ATOM 213 CD1 PHE A 17 -10.358 -3.958 3.635 1.00 0.00 C ATOM 214 CD2 PHE A 17 -9.232 -2.513 2.108 1.00 0.00 C ATOM 215 CE1 PHE A 17 -9.210 -4.051 4.398 1.00 0.00 C ATOM 216 CE2 PHE A 17 -8.080 -2.602 2.868 1.00 0.00 C ATOM 217 CZ PHE A 17 -8.069 -3.373 4.014 1.00 0.00 C ATOM 0 H PHE A 17 -13.675 -3.395 0.276 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.943 -4.199 -0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.633 -2.138 1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.498 -3.087 2.317 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.247 -4.491 3.940 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.235 -1.910 1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.204 -4.653 5.294 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.190 -2.069 2.566 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.170 -3.446 4.609 1.00 0.00 H new ATOM 227 N ASP A 18 -12.865 -5.865 2.064 1.00 0.00 N ATOM 228 CA ASP A 18 -12.985 -7.118 2.799 1.00 0.00 C ATOM 229 C ASP A 18 -13.434 -8.248 1.877 1.00 0.00 C ATOM 230 O ASP A 18 -13.475 -9.411 2.279 1.00 0.00 O ATOM 231 CB ASP A 18 -13.973 -6.963 3.956 1.00 0.00 C ATOM 232 CG ASP A 18 -13.917 -8.128 4.925 1.00 0.00 C ATOM 233 OD1 ASP A 18 -12.808 -8.456 5.395 1.00 0.00 O ATOM 234 OD2 ASP A 18 -14.983 -8.712 5.213 1.00 0.00 O ATOM 0 H ASP A 18 -13.677 -5.253 2.139 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.004 -7.370 3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.759 -6.038 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.984 -6.874 3.558 1.00 0.00 H new ATOM 239 N ASP A 19 -13.772 -7.897 0.641 1.00 0.00 N ATOM 240 CA ASP A 19 -14.219 -8.881 -0.338 1.00 0.00 C ATOM 241 C ASP A 19 -13.062 -9.326 -1.227 1.00 0.00 C ATOM 242 O ASP A 19 -13.081 -10.424 -1.783 1.00 0.00 O ATOM 243 CB ASP A 19 -15.345 -8.302 -1.196 1.00 0.00 C ATOM 244 CG ASP A 19 -16.609 -8.049 -0.398 1.00 0.00 C ATOM 245 OD1 ASP A 19 -17.372 -9.012 -0.172 1.00 0.00 O ATOM 246 OD2 ASP A 19 -16.835 -6.887 0.001 1.00 0.00 O ATOM 0 H ASP A 19 -13.745 -6.938 0.293 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.594 -9.751 0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.010 -7.368 -1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.566 -8.989 -2.013 1.00 0.00 H new ATOM 251 N VAL A 20 -12.057 -8.466 -1.358 1.00 0.00 N ATOM 252 CA VAL A 20 -10.892 -8.771 -2.180 1.00 0.00 C ATOM 253 C VAL A 20 -9.745 -9.305 -1.330 1.00 0.00 C ATOM 254 O VAL A 20 -9.201 -10.375 -1.604 1.00 0.00 O ATOM 255 CB VAL A 20 -10.409 -7.528 -2.951 1.00 0.00 C ATOM 256 CG1 VAL A 20 -9.081 -7.809 -3.638 1.00 0.00 C ATOM 257 CG2 VAL A 20 -11.459 -7.088 -3.961 1.00 0.00 C ATOM 0 H VAL A 20 -12.026 -7.552 -0.905 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.199 -9.536 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.258 -6.716 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.755 -6.920 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.333 -8.074 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.202 -8.635 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.102 -6.209 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.643 -7.895 -4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.385 -6.844 -3.440 1.00 0.00 H new ATOM 267 N VAL A 21 -9.381 -8.553 -0.296 1.00 0.00 N ATOM 268 CA VAL A 21 -8.299 -8.951 0.596 1.00 0.00 C ATOM 269 C VAL A 21 -8.556 -10.332 1.190 1.00 0.00 C ATOM 270 O VAL A 21 -7.652 -11.161 1.275 1.00 0.00 O ATOM 271 CB VAL A 21 -8.114 -7.938 1.741 1.00 0.00 C ATOM 272 CG1 VAL A 21 -7.155 -8.484 2.788 1.00 0.00 C ATOM 273 CG2 VAL A 21 -7.620 -6.605 1.198 1.00 0.00 C ATOM 0 H VAL A 21 -9.820 -7.664 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.389 -8.980 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.080 -7.775 2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.037 -7.754 3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.554 -9.412 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.186 -8.678 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.495 -5.901 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.664 -6.749 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.347 -6.209 0.489 1.00 0.00 H new ATOM 283 N ASN A 22 -9.798 -10.571 1.600 1.00 0.00 N ATOM 284 CA ASN A 22 -10.175 -11.852 2.187 1.00 0.00 C ATOM 285 C ASN A 22 -9.953 -12.991 1.196 1.00 0.00 C ATOM 286 O ASN A 22 -9.839 -14.152 1.586 1.00 0.00 O ATOM 287 CB ASN A 22 -11.640 -11.822 2.628 1.00 0.00 C ATOM 288 CG ASN A 22 -12.583 -12.274 1.530 1.00 0.00 C ATOM 289 OD1 ASN A 22 -13.080 -11.323 0.748 1.00 0.00 O flip ATOM 290 ND2 ASN A 22 -12.861 -13.465 1.386 1.00 0.00 N flip ATOM 0 H ASN A 22 -10.559 -9.895 1.537 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.543 -12.025 3.058 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.767 -12.464 3.500 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.903 -10.810 2.936 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.456 -14.162 2.010 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.496 -13.754 0.642 1.00 0.00 H new ATOM 297 N ASN A 23 -9.893 -12.648 -0.086 1.00 0.00 N ATOM 298 CA ASN A 23 -9.684 -13.642 -1.134 1.00 0.00 C ATOM 299 C ASN A 23 -8.212 -13.716 -1.528 1.00 0.00 C ATOM 300 O ASN A 23 -7.799 -14.617 -2.257 1.00 0.00 O ATOM 301 CB ASN A 23 -10.536 -13.307 -2.360 1.00 0.00 C ATOM 302 CG ASN A 23 -11.974 -13.762 -2.207 1.00 0.00 C ATOM 303 OD1 ASN A 23 -12.748 -13.024 -1.421 1.00 0.00 O flip ATOM 304 ND2 ASN A 23 -12.384 -14.767 -2.790 1.00 0.00 N flip ATOM 0 H ASN A 23 -9.986 -11.690 -0.425 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.986 -14.614 -0.744 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.515 -12.231 -2.531 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.101 -13.778 -3.241 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.753 -15.304 -3.385 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.354 -15.061 -2.678 1.00 0.00 H new ATOM 311 N ALA A 24 -7.426 -12.763 -1.039 1.00 0.00 N ATOM 312 CA ALA A 24 -6.000 -12.722 -1.337 1.00 0.00 C ATOM 313 C ALA A 24 -5.183 -13.324 -0.199 1.00 0.00 C ATOM 314 O ALA A 24 -4.956 -12.678 0.825 1.00 0.00 O ATOM 315 CB ALA A 24 -5.558 -11.291 -1.607 1.00 0.00 C ATOM 0 H ALA A 24 -7.753 -12.009 -0.435 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.824 -13.320 -2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.491 -11.275 -1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.111 -10.894 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.755 -10.677 -0.728 1.00 0.00 H new ATOM 321 N ASP A 25 -4.744 -14.564 -0.384 1.00 0.00 N ATOM 322 CA ASP A 25 -3.952 -15.254 0.628 1.00 0.00 C ATOM 323 C ASP A 25 -3.043 -14.276 1.366 1.00 0.00 C ATOM 324 O ASP A 25 -3.104 -14.160 2.590 1.00 0.00 O ATOM 325 CB ASP A 25 -3.116 -16.361 -0.016 1.00 0.00 C ATOM 326 CG ASP A 25 -2.228 -17.073 0.986 1.00 0.00 C ATOM 327 OD1 ASP A 25 -2.757 -17.558 2.008 1.00 0.00 O ATOM 328 OD2 ASP A 25 -1.004 -17.145 0.748 1.00 0.00 O ATOM 0 H ASP A 25 -4.923 -15.112 -1.225 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.637 -15.700 1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.780 -17.085 -0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.498 -15.933 -0.805 1.00 0.00 H new ATOM 333 N ILE A 26 -2.200 -13.577 0.613 1.00 0.00 N ATOM 334 CA ILE A 26 -1.279 -12.609 1.196 1.00 0.00 C ATOM 335 C ILE A 26 -1.219 -11.335 0.361 1.00 0.00 C ATOM 336 O ILE A 26 -0.644 -11.321 -0.728 1.00 0.00 O ATOM 337 CB ILE A 26 0.141 -13.192 1.326 1.00 0.00 C ATOM 338 CG1 ILE A 26 1.111 -12.120 1.827 1.00 0.00 C ATOM 339 CG2 ILE A 26 0.607 -13.754 -0.008 1.00 0.00 C ATOM 340 CD1 ILE A 26 2.428 -12.680 2.319 1.00 0.00 C ATOM 0 H ILE A 26 -2.136 -13.663 -0.401 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.658 -12.371 2.190 1.00 0.00 H new ATOM 0 HB ILE A 26 0.120 -14.005 2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.305 -11.412 1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.638 -11.562 2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.612 -14.162 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.073 -14.544 -0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.617 -12.959 -0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.066 -11.864 2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.245 -13.366 3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.923 -13.213 1.507 1.00 0.00 H new ATOM 352 N ILE A 27 -1.814 -10.266 0.879 1.00 0.00 N ATOM 353 CA ILE A 27 -1.825 -8.986 0.182 1.00 0.00 C ATOM 354 C ILE A 27 -1.441 -7.846 1.119 1.00 0.00 C ATOM 355 O ILE A 27 -1.649 -7.927 2.331 1.00 0.00 O ATOM 356 CB ILE A 27 -3.207 -8.689 -0.429 1.00 0.00 C ATOM 357 CG1 ILE A 27 -3.112 -7.529 -1.422 1.00 0.00 C ATOM 358 CG2 ILE A 27 -4.214 -8.375 0.667 1.00 0.00 C ATOM 359 CD1 ILE A 27 -4.205 -7.538 -2.468 1.00 0.00 C ATOM 0 H ILE A 27 -2.295 -10.261 1.779 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.090 -9.058 -0.620 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.548 -9.574 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.153 -6.588 -0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.143 -7.566 -1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.186 -8.167 0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.299 -9.229 1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.880 -7.503 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.075 -6.688 -3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.152 -8.463 -3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.177 -7.470 -1.979 1.00 0.00 H new ATOM 371 N LEU A 28 -0.882 -6.783 0.551 1.00 0.00 N ATOM 372 CA LEU A 28 -0.470 -5.624 1.336 1.00 0.00 C ATOM 373 C LEU A 28 -1.221 -4.373 0.894 1.00 0.00 C ATOM 374 O LEU A 28 -1.412 -4.140 -0.300 1.00 0.00 O ATOM 375 CB LEU A 28 1.038 -5.402 1.202 1.00 0.00 C ATOM 376 CG LEU A 28 1.576 -4.089 1.771 1.00 0.00 C ATOM 377 CD1 LEU A 28 1.444 -4.071 3.286 1.00 0.00 C ATOM 378 CD2 LEU A 28 3.026 -3.884 1.358 1.00 0.00 C ATOM 0 H LEU A 28 -0.704 -6.699 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.710 -5.820 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.552 -6.227 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.300 -5.451 0.145 1.00 0.00 H new ATOM 0 HG LEU A 28 0.984 -3.269 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.832 -3.129 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.394 -4.172 3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.011 -4.899 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.393 -2.945 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.632 -4.708 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.094 -3.852 0.271 1.00 0.00 H new ATOM 390 N VAL A 29 -1.644 -3.568 1.864 1.00 0.00 N ATOM 391 CA VAL A 29 -2.371 -2.338 1.575 1.00 0.00 C ATOM 392 C VAL A 29 -1.563 -1.112 1.986 1.00 0.00 C ATOM 393 O VAL A 29 -0.916 -1.107 3.033 1.00 0.00 O ATOM 394 CB VAL A 29 -3.732 -2.308 2.296 1.00 0.00 C ATOM 395 CG1 VAL A 29 -4.446 -0.991 2.034 1.00 0.00 C ATOM 396 CG2 VAL A 29 -4.591 -3.486 1.862 1.00 0.00 C ATOM 0 H VAL A 29 -1.495 -3.746 2.857 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.538 -2.315 0.498 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.557 -2.392 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.405 -0.988 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.834 -0.166 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.611 -0.873 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.549 -3.449 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.759 -3.437 0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.081 -4.418 2.107 1.00 0.00 H new ATOM 406 N GLU A 30 -1.606 -0.076 1.155 1.00 0.00 N ATOM 407 CA GLU A 30 -0.877 1.156 1.433 1.00 0.00 C ATOM 408 C GLU A 30 -1.806 2.365 1.365 1.00 0.00 C ATOM 409 O GLU A 30 -2.089 2.885 0.285 1.00 0.00 O ATOM 410 CB GLU A 30 0.275 1.328 0.440 1.00 0.00 C ATOM 411 CG GLU A 30 0.834 2.740 0.395 1.00 0.00 C ATOM 412 CD GLU A 30 2.048 2.858 -0.505 1.00 0.00 C ATOM 413 OE1 GLU A 30 3.060 2.181 -0.230 1.00 0.00 O ATOM 414 OE2 GLU A 30 1.986 3.629 -1.486 1.00 0.00 O ATOM 0 H GLU A 30 -2.137 -0.065 0.284 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.471 1.088 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.076 0.637 0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.071 1.051 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.059 3.422 0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.103 3.053 1.404 1.00 0.00 H new ATOM 421 N PHE A 31 -2.277 2.807 2.526 1.00 0.00 N ATOM 422 CA PHE A 31 -3.175 3.954 2.600 1.00 0.00 C ATOM 423 C PHE A 31 -2.425 5.252 2.315 1.00 0.00 C ATOM 424 O PHE A 31 -1.654 5.731 3.147 1.00 0.00 O ATOM 425 CB PHE A 31 -3.834 4.025 3.979 1.00 0.00 C ATOM 426 CG PHE A 31 -4.676 2.824 4.304 1.00 0.00 C ATOM 427 CD1 PHE A 31 -5.992 2.748 3.877 1.00 0.00 C ATOM 428 CD2 PHE A 31 -4.152 1.771 5.036 1.00 0.00 C ATOM 429 CE1 PHE A 31 -6.770 1.645 4.173 1.00 0.00 C ATOM 430 CE2 PHE A 31 -4.924 0.665 5.335 1.00 0.00 C ATOM 431 CZ PHE A 31 -6.235 0.602 4.904 1.00 0.00 C ATOM 0 H PHE A 31 -2.052 2.389 3.429 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.948 3.828 1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.059 4.132 4.738 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.455 4.919 4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.415 3.561 3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.128 1.815 5.377 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.794 1.598 3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.503 -0.150 5.905 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.841 -0.261 5.138 1.00 0.00 H new ATOM 441 N TYR A 32 -2.656 5.814 1.134 1.00 0.00 N ATOM 442 CA TYR A 32 -2.000 7.054 0.737 1.00 0.00 C ATOM 443 C TYR A 32 -3.024 8.161 0.503 1.00 0.00 C ATOM 444 O TYR A 32 -4.224 7.904 0.423 1.00 0.00 O ATOM 445 CB TYR A 32 -1.171 6.835 -0.529 1.00 0.00 C ATOM 446 CG TYR A 32 -1.998 6.787 -1.794 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.518 5.586 -2.262 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.259 7.942 -2.521 1.00 0.00 C ATOM 449 CE1 TYR A 32 -3.274 5.538 -3.418 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.015 7.902 -3.677 1.00 0.00 C ATOM 451 CZ TYR A 32 -3.520 6.698 -4.121 1.00 0.00 C ATOM 452 OH TYR A 32 -4.272 6.655 -5.272 1.00 0.00 O ATOM 0 H TYR A 32 -3.292 5.431 0.435 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.339 7.361 1.547 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.437 7.636 -0.615 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.615 5.902 -0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.328 4.675 -1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.864 8.887 -2.177 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.670 4.596 -3.769 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.209 8.809 -4.230 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.148 7.061 -5.105 1.00 0.00 H new ATOM 462 N ALA A 33 -2.538 9.393 0.392 1.00 0.00 N ATOM 463 CA ALA A 33 -3.409 10.540 0.164 1.00 0.00 C ATOM 464 C ALA A 33 -2.917 11.378 -1.010 1.00 0.00 C ATOM 465 O ALA A 33 -1.729 11.674 -1.138 1.00 0.00 O ATOM 466 CB ALA A 33 -3.501 11.391 1.422 1.00 0.00 C ATOM 0 H ALA A 33 -1.546 9.622 0.456 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.403 10.167 -0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.154 12.244 1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.907 10.792 2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.507 11.747 1.694 1.00 0.00 H new ATOM 472 N PRO A 34 -3.850 11.770 -1.891 1.00 0.00 N ATOM 473 CA PRO A 34 -3.533 12.580 -3.071 1.00 0.00 C ATOM 474 C PRO A 34 -3.138 14.007 -2.706 1.00 0.00 C ATOM 475 O PRO A 34 -2.884 14.833 -3.582 1.00 0.00 O ATOM 476 CB PRO A 34 -4.841 12.574 -3.866 1.00 0.00 C ATOM 477 CG PRO A 34 -5.903 12.340 -2.847 1.00 0.00 C ATOM 478 CD PRO A 34 -5.285 11.453 -1.802 1.00 0.00 C ATOM 0 HA PRO A 34 -2.681 12.182 -3.622 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.993 13.520 -4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.840 11.791 -4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.240 13.281 -2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.776 11.866 -3.295 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.682 11.664 -0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.477 10.399 -2.004 1.00 0.00 H new ATOM 486 N TRP A 35 -3.087 14.288 -1.409 1.00 0.00 N ATOM 487 CA TRP A 35 -2.722 15.616 -0.929 1.00 0.00 C ATOM 488 C TRP A 35 -1.450 15.560 -0.090 1.00 0.00 C ATOM 489 O TRP A 35 -0.803 16.582 0.141 1.00 0.00 O ATOM 490 CB TRP A 35 -3.864 16.216 -0.108 1.00 0.00 C ATOM 491 CG TRP A 35 -4.307 15.338 1.023 1.00 0.00 C ATOM 492 CD1 TRP A 35 -5.454 14.600 1.087 1.00 0.00 C ATOM 493 CD2 TRP A 35 -3.611 15.109 2.254 1.00 0.00 C ATOM 494 NE1 TRP A 35 -5.513 13.925 2.283 1.00 0.00 N ATOM 495 CE2 TRP A 35 -4.395 14.221 3.016 1.00 0.00 C ATOM 496 CE3 TRP A 35 -2.402 15.567 2.785 1.00 0.00 C ATOM 497 CZ2 TRP A 35 -4.007 13.784 4.280 1.00 0.00 C ATOM 498 CZ3 TRP A 35 -2.019 15.133 4.039 1.00 0.00 C ATOM 499 CH2 TRP A 35 -2.818 14.248 4.775 1.00 0.00 C ATOM 0 H TRP A 35 -3.294 13.615 -0.671 1.00 0.00 H new ATOM 0 HA TRP A 35 -2.536 16.250 -1.796 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.547 17.179 0.292 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -4.713 16.407 -0.765 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.205 14.553 0.312 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.267 13.304 2.577 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.778 16.248 2.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.622 13.103 4.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.087 15.482 4.460 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.489 13.926 5.752 1.00 0.00 H new ATOM 510 N CYS A 36 -1.098 14.363 0.364 1.00 0.00 N ATOM 511 CA CYS A 36 0.097 14.175 1.179 1.00 0.00 C ATOM 512 C CYS A 36 1.347 14.123 0.307 1.00 0.00 C ATOM 513 O CYS A 36 1.623 13.115 -0.341 1.00 0.00 O ATOM 514 CB CYS A 36 -0.019 12.892 2.003 1.00 0.00 C ATOM 515 SG CYS A 36 1.409 12.563 3.062 1.00 0.00 S ATOM 0 H CYS A 36 -1.623 13.508 0.182 1.00 0.00 H new ATOM 0 HA CYS A 36 0.183 15.026 1.855 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.913 12.952 2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.157 12.049 1.326 1.00 0.00 H new ATOM 0 HG CYS A 36 1.316 11.364 3.556 1.00 0.00 H new ATOM 521 N GLY A 37 2.100 15.219 0.295 1.00 0.00 N ATOM 522 CA GLY A 37 3.311 15.279 -0.503 1.00 0.00 C ATOM 523 C GLY A 37 4.259 14.135 -0.203 1.00 0.00 C ATOM 524 O GLY A 37 4.989 13.677 -1.083 1.00 0.00 O ATOM 0 H GLY A 37 1.893 16.066 0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.047 15.261 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.818 16.226 -0.317 1.00 0.00 H new ATOM 528 N HIS A 38 4.250 13.672 1.043 1.00 0.00 N ATOM 529 CA HIS A 38 5.117 12.574 1.457 1.00 0.00 C ATOM 530 C HIS A 38 4.692 11.267 0.796 1.00 0.00 C ATOM 531 O HIS A 38 5.532 10.461 0.394 1.00 0.00 O ATOM 532 CB HIS A 38 5.092 12.422 2.978 1.00 0.00 C ATOM 533 CG HIS A 38 5.471 13.671 3.711 1.00 0.00 C ATOM 534 ND1 HIS A 38 6.777 14.012 3.994 1.00 0.00 N ATOM 535 CD2 HIS A 38 4.706 14.666 4.220 1.00 0.00 C ATOM 536 CE1 HIS A 38 6.799 15.161 4.646 1.00 0.00 C ATOM 537 NE2 HIS A 38 5.555 15.579 4.795 1.00 0.00 N ATOM 0 H HIS A 38 3.652 14.040 1.783 1.00 0.00 H new ATOM 0 HA HIS A 38 6.133 12.807 1.140 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.092 12.118 3.288 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.773 11.621 3.266 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.629 14.729 4.181 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.684 15.671 4.997 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.271 16.440 5.262 1.00 0.00 H new ATOM 546 N CYS A 39 3.384 11.063 0.686 1.00 0.00 N ATOM 547 CA CYS A 39 2.847 9.853 0.075 1.00 0.00 C ATOM 548 C CYS A 39 3.155 9.815 -1.418 1.00 0.00 C ATOM 549 O CYS A 39 3.006 8.779 -2.068 1.00 0.00 O ATOM 550 CB CYS A 39 1.336 9.771 0.299 1.00 0.00 C ATOM 551 SG CYS A 39 0.863 9.236 1.960 1.00 0.00 S ATOM 0 H CYS A 39 2.676 11.720 1.012 1.00 0.00 H new ATOM 0 HA CYS A 39 3.324 8.994 0.548 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.897 10.750 0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.909 9.081 -0.429 1.00 0.00 H new ATOM 0 HG CYS A 39 1.791 9.574 2.805 1.00 0.00 H new ATOM 557 N LYS A 40 3.584 10.951 -1.957 1.00 0.00 N ATOM 558 CA LYS A 40 3.913 11.049 -3.374 1.00 0.00 C ATOM 559 C LYS A 40 5.225 10.333 -3.679 1.00 0.00 C ATOM 560 O LYS A 40 5.420 9.814 -4.778 1.00 0.00 O ATOM 561 CB LYS A 40 4.011 12.517 -3.795 1.00 0.00 C ATOM 562 CG LYS A 40 2.965 13.407 -3.146 1.00 0.00 C ATOM 563 CD LYS A 40 1.556 12.970 -3.512 1.00 0.00 C ATOM 564 CE LYS A 40 0.616 14.160 -3.628 1.00 0.00 C ATOM 565 NZ LYS A 40 0.702 14.806 -4.968 1.00 0.00 N ATOM 0 H LYS A 40 3.712 11.817 -1.434 1.00 0.00 H new ATOM 0 HA LYS A 40 3.116 10.567 -3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.003 12.893 -3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.911 12.583 -4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.085 13.381 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.120 14.440 -3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.576 12.427 -4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.180 12.280 -2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.408 13.833 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.858 14.891 -2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.047 15.613 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.673 15.141 -5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.446 14.116 -5.703 1.00 0.00 H new ATOM 579 N LYS A 41 6.122 10.308 -2.699 1.00 0.00 N ATOM 580 CA LYS A 41 7.415 9.654 -2.860 1.00 0.00 C ATOM 581 C LYS A 41 7.268 8.137 -2.802 1.00 0.00 C ATOM 582 O LYS A 41 7.955 7.408 -3.519 1.00 0.00 O ATOM 583 CB LYS A 41 8.387 10.125 -1.776 1.00 0.00 C ATOM 584 CG LYS A 41 8.400 9.237 -0.544 1.00 0.00 C ATOM 585 CD LYS A 41 8.901 9.987 0.679 1.00 0.00 C ATOM 586 CE LYS A 41 8.404 9.349 1.967 1.00 0.00 C ATOM 587 NZ LYS A 41 9.101 9.897 3.163 1.00 0.00 N ATOM 0 H LYS A 41 5.977 10.734 -1.784 1.00 0.00 H new ATOM 0 HA LYS A 41 7.812 9.926 -3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.393 10.166 -2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.123 11.140 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.395 8.861 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.035 8.370 -0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.991 10.002 0.676 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.568 11.024 0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.331 9.515 2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.556 8.271 1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.734 9.437 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.122 9.716 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.935 10.922 3.222 1.00 0.00 H new ATOM 601 N LEU A 42 6.367 7.667 -1.946 1.00 0.00 N ATOM 602 CA LEU A 42 6.128 6.236 -1.795 1.00 0.00 C ATOM 603 C LEU A 42 5.247 5.709 -2.923 1.00 0.00 C ATOM 604 O LEU A 42 5.333 4.540 -3.297 1.00 0.00 O ATOM 605 CB LEU A 42 5.473 5.947 -0.443 1.00 0.00 C ATOM 606 CG LEU A 42 5.065 4.495 -0.191 1.00 0.00 C ATOM 607 CD1 LEU A 42 6.293 3.602 -0.107 1.00 0.00 C ATOM 608 CD2 LEU A 42 4.237 4.387 1.080 1.00 0.00 C ATOM 0 H LEU A 42 5.790 8.256 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 42 7.090 5.726 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.162 6.251 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.586 6.574 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 42 4.454 4.159 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.983 2.573 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.847 3.656 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.931 3.937 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.955 3.347 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.823 4.742 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.338 4.995 0.981 1.00 0.00 H new ATOM 620 N ALA A 43 4.400 6.580 -3.462 1.00 0.00 N ATOM 621 CA ALA A 43 3.506 6.204 -4.550 1.00 0.00 C ATOM 622 C ALA A 43 4.218 5.314 -5.563 1.00 0.00 C ATOM 623 O ALA A 43 3.828 4.172 -5.803 1.00 0.00 O ATOM 624 CB ALA A 43 2.954 7.447 -5.232 1.00 0.00 C ATOM 0 H ALA A 43 4.314 7.551 -3.163 1.00 0.00 H new ATOM 0 HA ALA A 43 2.677 5.636 -4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.288 7.152 -6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.401 8.044 -4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.777 8.037 -5.635 1.00 0.00 H new ATOM 630 N PRO A 44 5.287 5.848 -6.172 1.00 0.00 N ATOM 631 CA PRO A 44 6.075 5.118 -7.170 1.00 0.00 C ATOM 632 C PRO A 44 6.875 3.975 -6.554 1.00 0.00 C ATOM 633 O PRO A 44 7.119 2.958 -7.201 1.00 0.00 O ATOM 634 CB PRO A 44 7.017 6.188 -7.729 1.00 0.00 C ATOM 635 CG PRO A 44 7.137 7.195 -6.638 1.00 0.00 C ATOM 636 CD PRO A 44 5.808 7.204 -5.934 1.00 0.00 C ATOM 0 HA PRO A 44 5.443 4.649 -7.925 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.988 5.765 -7.986 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.614 6.635 -8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.941 6.932 -5.951 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.372 8.180 -7.041 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.919 7.411 -4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.143 7.967 -6.340 1.00 0.00 H new ATOM 644 N GLU A 45 7.278 4.150 -5.299 1.00 0.00 N ATOM 645 CA GLU A 45 8.051 3.132 -4.597 1.00 0.00 C ATOM 646 C GLU A 45 7.179 1.927 -4.255 1.00 0.00 C ATOM 647 O GLU A 45 7.678 0.815 -4.082 1.00 0.00 O ATOM 648 CB GLU A 45 8.660 3.713 -3.319 1.00 0.00 C ATOM 649 CG GLU A 45 9.659 4.829 -3.575 1.00 0.00 C ATOM 650 CD GLU A 45 10.899 4.347 -4.301 1.00 0.00 C ATOM 651 OE1 GLU A 45 11.188 3.134 -4.243 1.00 0.00 O ATOM 652 OE2 GLU A 45 11.582 5.185 -4.928 1.00 0.00 O ATOM 0 H GLU A 45 7.082 4.986 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 45 8.854 2.803 -5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.859 4.092 -2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.154 2.914 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.180 5.612 -4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.950 5.276 -2.624 1.00 0.00 H new ATOM 659 N TYR A 46 5.874 2.157 -4.159 1.00 0.00 N ATOM 660 CA TYR A 46 4.932 1.093 -3.834 1.00 0.00 C ATOM 661 C TYR A 46 4.484 0.359 -5.095 1.00 0.00 C ATOM 662 O TYR A 46 4.500 -0.870 -5.149 1.00 0.00 O ATOM 663 CB TYR A 46 3.716 1.664 -3.104 1.00 0.00 C ATOM 664 CG TYR A 46 2.757 0.607 -2.606 1.00 0.00 C ATOM 665 CD1 TYR A 46 3.043 -0.141 -1.470 1.00 0.00 C ATOM 666 CD2 TYR A 46 1.563 0.355 -3.271 1.00 0.00 C ATOM 667 CE1 TYR A 46 2.170 -1.108 -1.012 1.00 0.00 C ATOM 668 CE2 TYR A 46 0.683 -0.609 -2.819 1.00 0.00 C ATOM 669 CZ TYR A 46 0.991 -1.339 -1.690 1.00 0.00 C ATOM 670 OH TYR A 46 0.118 -2.300 -1.236 1.00 0.00 O ATOM 0 H TYR A 46 5.445 3.071 -4.302 1.00 0.00 H new ATOM 0 HA TYR A 46 5.438 0.382 -3.181 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.058 2.260 -2.258 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.184 2.338 -3.775 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.965 0.037 -0.936 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.319 0.923 -4.157 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.409 -1.680 -0.128 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.242 -0.790 -3.347 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.748 -1.887 -1.036 1.00 0.00 H new ATOM 680 N GLU A 47 4.084 1.124 -6.106 1.00 0.00 N ATOM 681 CA GLU A 47 3.631 0.548 -7.367 1.00 0.00 C ATOM 682 C GLU A 47 4.768 -0.192 -8.067 1.00 0.00 C ATOM 683 O GLU A 47 4.546 -1.186 -8.757 1.00 0.00 O ATOM 684 CB GLU A 47 3.078 1.640 -8.283 1.00 0.00 C ATOM 685 CG GLU A 47 1.832 2.318 -7.739 1.00 0.00 C ATOM 686 CD GLU A 47 1.027 3.013 -8.820 1.00 0.00 C ATOM 687 OE1 GLU A 47 1.475 4.073 -9.305 1.00 0.00 O ATOM 688 OE2 GLU A 47 -0.052 2.497 -9.181 1.00 0.00 O ATOM 0 H GLU A 47 4.064 2.143 -6.077 1.00 0.00 H new ATOM 0 HA GLU A 47 2.838 -0.166 -7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.850 2.393 -8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.849 1.205 -9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.205 1.576 -7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.121 3.046 -6.981 1.00 0.00 H new ATOM 695 N LYS A 48 5.988 0.303 -7.884 1.00 0.00 N ATOM 696 CA LYS A 48 7.162 -0.309 -8.496 1.00 0.00 C ATOM 697 C LYS A 48 7.495 -1.638 -7.825 1.00 0.00 C ATOM 698 O LYS A 48 7.847 -2.610 -8.493 1.00 0.00 O ATOM 699 CB LYS A 48 8.362 0.636 -8.404 1.00 0.00 C ATOM 700 CG LYS A 48 8.356 1.731 -9.457 1.00 0.00 C ATOM 701 CD LYS A 48 9.436 2.766 -9.191 1.00 0.00 C ATOM 702 CE LYS A 48 9.327 3.944 -10.147 1.00 0.00 C ATOM 703 NZ LYS A 48 9.649 3.553 -11.548 1.00 0.00 N ATOM 0 H LYS A 48 6.189 1.126 -7.317 1.00 0.00 H new ATOM 0 HA LYS A 48 6.937 -0.498 -9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.378 1.094 -7.415 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.279 0.055 -8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.508 1.290 -10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.381 2.217 -9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.356 3.121 -8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.418 2.303 -9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.317 4.352 -10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.004 4.736 -9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.613 4.393 -12.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.603 3.140 -11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.956 2.852 -11.881 1.00 0.00 H new ATOM 717 N ALA A 49 7.380 -1.672 -6.502 1.00 0.00 N ATOM 718 CA ALA A 49 7.666 -2.883 -5.742 1.00 0.00 C ATOM 719 C ALA A 49 6.713 -4.010 -6.126 1.00 0.00 C ATOM 720 O ALA A 49 7.061 -5.187 -6.038 1.00 0.00 O ATOM 721 CB ALA A 49 7.579 -2.602 -4.249 1.00 0.00 C ATOM 0 H ALA A 49 7.091 -0.876 -5.934 1.00 0.00 H new ATOM 0 HA ALA A 49 8.680 -3.202 -5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.795 -3.515 -3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.304 -1.834 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.575 -2.256 -4.002 1.00 0.00 H new ATOM 727 N ALA A 50 5.509 -3.642 -6.552 1.00 0.00 N ATOM 728 CA ALA A 50 4.507 -4.622 -6.950 1.00 0.00 C ATOM 729 C ALA A 50 4.916 -5.334 -8.236 1.00 0.00 C ATOM 730 O ALA A 50 4.466 -6.446 -8.512 1.00 0.00 O ATOM 731 CB ALA A 50 3.152 -3.951 -7.124 1.00 0.00 C ATOM 0 H ALA A 50 5.204 -2.672 -6.630 1.00 0.00 H new ATOM 0 HA ALA A 50 4.431 -5.369 -6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.413 -4.695 -7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.848 -3.494 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.223 -3.182 -7.893 1.00 0.00 H new ATOM 737 N LYS A 51 5.771 -4.685 -9.019 1.00 0.00 N ATOM 738 CA LYS A 51 6.242 -5.256 -10.275 1.00 0.00 C ATOM 739 C LYS A 51 7.239 -6.382 -10.022 1.00 0.00 C ATOM 740 O LYS A 51 7.172 -7.436 -10.654 1.00 0.00 O ATOM 741 CB LYS A 51 6.890 -4.172 -11.140 1.00 0.00 C ATOM 742 CG LYS A 51 5.915 -3.473 -12.071 1.00 0.00 C ATOM 743 CD LYS A 51 6.639 -2.731 -13.182 1.00 0.00 C ATOM 744 CE LYS A 51 6.961 -3.652 -14.349 1.00 0.00 C ATOM 745 NZ LYS A 51 8.244 -4.379 -14.144 1.00 0.00 N ATOM 0 H LYS A 51 6.152 -3.763 -8.806 1.00 0.00 H new ATOM 0 HA LYS A 51 5.382 -5.668 -10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.354 -3.430 -10.490 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.687 -4.620 -11.733 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.235 -4.207 -12.505 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.305 -2.772 -11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.022 -1.903 -13.530 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.561 -2.300 -12.792 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.152 -4.372 -14.478 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.017 -3.068 -15.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.726 -4.497 -15.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.852 -3.835 -13.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.051 -5.314 -13.731 1.00 0.00 H new ATOM 759 N GLU A 52 8.161 -6.152 -9.093 1.00 0.00 N ATOM 760 CA GLU A 52 9.171 -7.149 -8.756 1.00 0.00 C ATOM 761 C GLU A 52 8.533 -8.368 -8.096 1.00 0.00 C ATOM 762 O GLU A 52 8.880 -9.509 -8.405 1.00 0.00 O ATOM 763 CB GLU A 52 10.226 -6.545 -7.827 1.00 0.00 C ATOM 764 CG GLU A 52 10.954 -5.354 -8.426 1.00 0.00 C ATOM 765 CD GLU A 52 12.078 -5.764 -9.357 1.00 0.00 C ATOM 766 OE1 GLU A 52 12.027 -6.895 -9.884 1.00 0.00 O ATOM 767 OE2 GLU A 52 13.008 -4.955 -9.559 1.00 0.00 O ATOM 0 H GLU A 52 8.230 -5.285 -8.560 1.00 0.00 H new ATOM 0 HA GLU A 52 9.652 -7.468 -9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.746 -6.237 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.955 -7.314 -7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.242 -4.735 -8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.359 -4.739 -7.622 1.00 0.00 H new ATOM 774 N LEU A 53 7.599 -8.119 -7.185 1.00 0.00 N ATOM 775 CA LEU A 53 6.912 -9.195 -6.479 1.00 0.00 C ATOM 776 C LEU A 53 6.011 -9.979 -7.427 1.00 0.00 C ATOM 777 O LEU A 53 5.998 -11.210 -7.412 1.00 0.00 O ATOM 778 CB LEU A 53 6.085 -8.627 -5.324 1.00 0.00 C ATOM 779 CG LEU A 53 6.821 -8.449 -3.996 1.00 0.00 C ATOM 780 CD1 LEU A 53 5.956 -7.688 -3.003 1.00 0.00 C ATOM 781 CD2 LEU A 53 7.226 -9.801 -3.426 1.00 0.00 C ATOM 0 H LEU A 53 7.300 -7.181 -6.918 1.00 0.00 H new ATOM 0 HA LEU A 53 7.666 -9.873 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.688 -7.659 -5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.231 -9.283 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 53 7.725 -7.868 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.497 -7.571 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.716 -6.705 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.034 -8.242 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.749 -9.655 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.335 -10.407 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.884 -10.310 -4.130 1.00 0.00 H new ATOM 793 N SER A 54 5.259 -9.258 -8.253 1.00 0.00 N ATOM 794 CA SER A 54 4.353 -9.887 -9.208 1.00 0.00 C ATOM 795 C SER A 54 5.088 -10.925 -10.051 1.00 0.00 C ATOM 796 O SER A 54 4.524 -11.956 -10.418 1.00 0.00 O ATOM 797 CB SER A 54 3.722 -8.830 -10.116 1.00 0.00 C ATOM 798 OG SER A 54 4.689 -8.254 -10.978 1.00 0.00 O ATOM 0 H SER A 54 5.259 -8.238 -8.280 1.00 0.00 H new ATOM 0 HA SER A 54 3.566 -10.391 -8.647 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.927 -9.283 -10.708 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.263 -8.051 -9.508 1.00 0.00 H new ATOM 0 HG SER A 54 5.534 -8.143 -10.494 1.00 0.00 H new ATOM 804 N LYS A 55 6.350 -10.645 -10.355 1.00 0.00 N ATOM 805 CA LYS A 55 7.165 -11.553 -11.154 1.00 0.00 C ATOM 806 C LYS A 55 7.833 -12.603 -10.272 1.00 0.00 C ATOM 807 O LYS A 55 8.219 -13.671 -10.747 1.00 0.00 O ATOM 808 CB LYS A 55 8.229 -10.770 -11.927 1.00 0.00 C ATOM 809 CG LYS A 55 9.128 -9.927 -11.040 1.00 0.00 C ATOM 810 CD LYS A 55 10.238 -9.265 -11.840 1.00 0.00 C ATOM 811 CE LYS A 55 11.478 -10.143 -11.905 1.00 0.00 C ATOM 812 NZ LYS A 55 11.441 -11.071 -13.069 1.00 0.00 N ATOM 0 H LYS A 55 6.832 -9.796 -10.060 1.00 0.00 H new ATOM 0 HA LYS A 55 6.510 -12.061 -11.862 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.844 -11.470 -12.492 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.736 -10.122 -12.651 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.534 -9.163 -10.539 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.563 -10.553 -10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.885 -9.056 -12.850 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.493 -8.307 -11.387 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.365 -9.514 -11.971 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.563 -10.719 -10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.412 -11.306 -13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.939 -11.942 -12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.946 -10.614 -13.861 1.00 0.00 H new ATOM 826 N ARG A 56 7.964 -12.293 -8.986 1.00 0.00 N ATOM 827 CA ARG A 56 8.585 -13.211 -8.038 1.00 0.00 C ATOM 828 C ARG A 56 7.706 -14.438 -7.814 1.00 0.00 C ATOM 829 O ARG A 56 6.662 -14.590 -8.449 1.00 0.00 O ATOM 830 CB ARG A 56 8.843 -12.504 -6.706 1.00 0.00 C ATOM 831 CG ARG A 56 10.151 -11.732 -6.669 1.00 0.00 C ATOM 832 CD ARG A 56 10.281 -10.916 -5.393 1.00 0.00 C ATOM 833 NE ARG A 56 11.637 -10.408 -5.203 1.00 0.00 N ATOM 834 CZ ARG A 56 12.677 -11.180 -4.910 1.00 0.00 C ATOM 835 NH1 ARG A 56 12.517 -12.489 -4.773 1.00 0.00 N ATOM 836 NH2 ARG A 56 13.880 -10.644 -4.753 1.00 0.00 N ATOM 0 H ARG A 56 7.649 -11.414 -8.577 1.00 0.00 H new ATOM 0 HA ARG A 56 9.536 -13.539 -8.457 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.020 -11.818 -6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 56 8.845 -13.244 -5.906 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.987 -12.427 -6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.208 -11.070 -7.533 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.582 -10.080 -5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.002 -11.533 -4.539 1.00 0.00 H new ATOM 0 HE ARG A 56 11.794 -9.405 -5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.594 -12.905 -4.893 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.317 -13.080 -4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.007 -9.637 -4.857 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.678 -11.238 -4.528 1.00 0.00 H new ATOM 850 N SER A 57 8.135 -15.309 -6.907 1.00 0.00 N ATOM 851 CA SER A 57 7.390 -16.525 -6.602 1.00 0.00 C ATOM 852 C SER A 57 7.706 -17.017 -5.193 1.00 0.00 C ATOM 853 O SER A 57 8.856 -17.282 -4.844 1.00 0.00 O ATOM 854 CB SER A 57 7.717 -17.618 -7.621 1.00 0.00 C ATOM 855 OG SER A 57 6.810 -18.702 -7.515 1.00 0.00 O ATOM 0 H SER A 57 8.995 -15.196 -6.370 1.00 0.00 H new ATOM 0 HA SER A 57 6.326 -16.293 -6.657 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.677 -17.204 -8.628 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.735 -17.975 -7.463 1.00 0.00 H new ATOM 0 HG SER A 57 7.039 -19.386 -8.178 1.00 0.00 H new ATOM 861 N PRO A 58 6.660 -17.142 -4.363 1.00 0.00 N ATOM 862 CA PRO A 58 5.286 -16.829 -4.767 1.00 0.00 C ATOM 863 C PRO A 58 5.068 -15.334 -4.973 1.00 0.00 C ATOM 864 O PRO A 58 5.587 -14.499 -4.231 1.00 0.00 O ATOM 865 CB PRO A 58 4.446 -17.335 -3.592 1.00 0.00 C ATOM 866 CG PRO A 58 5.369 -17.296 -2.422 1.00 0.00 C ATOM 867 CD PRO A 58 6.738 -17.599 -2.965 1.00 0.00 C ATOM 0 HA PRO A 58 5.028 -17.288 -5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.573 -16.703 -3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.079 -18.345 -3.774 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.348 -16.318 -1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.077 -18.028 -1.670 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.515 -17.071 -2.413 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.969 -18.662 -2.902 1.00 0.00 H new ATOM 875 N PRO A 59 4.283 -14.986 -6.003 1.00 0.00 N ATOM 876 CA PRO A 59 3.979 -13.590 -6.329 1.00 0.00 C ATOM 877 C PRO A 59 3.073 -12.936 -5.291 1.00 0.00 C ATOM 878 O PRO A 59 1.969 -13.413 -5.029 1.00 0.00 O ATOM 879 CB PRO A 59 3.261 -13.689 -7.678 1.00 0.00 C ATOM 880 CG PRO A 59 2.675 -15.058 -7.695 1.00 0.00 C ATOM 881 CD PRO A 59 3.632 -15.928 -6.929 1.00 0.00 C ATOM 0 HA PRO A 59 4.877 -12.972 -6.352 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.488 -12.926 -7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.954 -13.545 -8.507 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.687 -15.065 -7.235 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.553 -15.418 -8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.112 -16.723 -6.394 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.355 -16.408 -7.589 1.00 0.00 H new ATOM 889 N ILE A 60 3.547 -11.842 -4.704 1.00 0.00 N ATOM 890 CA ILE A 60 2.778 -11.123 -3.696 1.00 0.00 C ATOM 891 C ILE A 60 2.221 -9.819 -4.256 1.00 0.00 C ATOM 892 O ILE A 60 2.921 -8.812 -4.366 1.00 0.00 O ATOM 893 CB ILE A 60 3.633 -10.811 -2.453 1.00 0.00 C ATOM 894 CG1 ILE A 60 4.090 -12.108 -1.783 1.00 0.00 C ATOM 895 CG2 ILE A 60 2.849 -9.950 -1.474 1.00 0.00 C ATOM 896 CD1 ILE A 60 5.240 -11.918 -0.820 1.00 0.00 C ATOM 0 H ILE A 60 4.459 -11.435 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 60 1.952 -11.773 -3.406 1.00 0.00 H new ATOM 0 HB ILE A 60 4.517 -10.256 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.248 -12.547 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.386 -12.821 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.466 -9.738 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.569 -9.014 -1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.949 -10.481 -1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.511 -12.879 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.097 -11.508 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.942 -11.230 -0.029 1.00 0.00 H new ATOM 908 N PRO A 61 0.930 -9.834 -4.618 1.00 0.00 N ATOM 909 CA PRO A 61 0.248 -8.660 -5.171 1.00 0.00 C ATOM 910 C PRO A 61 0.045 -7.565 -4.130 1.00 0.00 C ATOM 911 O PRO A 61 -0.206 -7.847 -2.958 1.00 0.00 O ATOM 912 CB PRO A 61 -1.101 -9.217 -5.632 1.00 0.00 C ATOM 913 CG PRO A 61 -1.326 -10.418 -4.780 1.00 0.00 C ATOM 914 CD PRO A 61 0.035 -10.999 -4.515 1.00 0.00 C ATOM 0 HA PRO A 61 0.825 -8.191 -5.968 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.897 -8.484 -5.501 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.080 -9.480 -6.690 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.823 -10.148 -3.848 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.967 -11.140 -5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.089 -11.461 -3.529 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.292 -11.769 -5.243 1.00 0.00 H new ATOM 922 N LEU A 62 0.152 -6.314 -4.566 1.00 0.00 N ATOM 923 CA LEU A 62 -0.021 -5.175 -3.671 1.00 0.00 C ATOM 924 C LEU A 62 -1.280 -4.391 -4.025 1.00 0.00 C ATOM 925 O LEU A 62 -1.823 -4.532 -5.120 1.00 0.00 O ATOM 926 CB LEU A 62 1.201 -4.257 -3.739 1.00 0.00 C ATOM 927 CG LEU A 62 2.318 -4.551 -2.736 1.00 0.00 C ATOM 928 CD1 LEU A 62 2.796 -5.988 -2.876 1.00 0.00 C ATOM 929 CD2 LEU A 62 3.475 -3.581 -2.927 1.00 0.00 C ATOM 0 H LEU A 62 0.358 -6.063 -5.533 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.126 -5.556 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.618 -4.315 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.868 -3.230 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 62 1.921 -4.418 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.591 -6.179 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.965 -6.668 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.176 -6.148 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.260 -3.805 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.871 -3.682 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.123 -2.561 -2.775 1.00 0.00 H new ATOM 941 N ALA A 63 -1.737 -3.562 -3.092 1.00 0.00 N ATOM 942 CA ALA A 63 -2.930 -2.752 -3.307 1.00 0.00 C ATOM 943 C ALA A 63 -2.772 -1.368 -2.688 1.00 0.00 C ATOM 944 O ALA A 63 -2.183 -1.218 -1.617 1.00 0.00 O ATOM 945 CB ALA A 63 -4.154 -3.452 -2.735 1.00 0.00 C ATOM 0 H ALA A 63 -1.299 -3.434 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.066 -2.628 -4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.037 -2.836 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.285 -4.416 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.018 -3.607 -1.665 1.00 0.00 H new ATOM 951 N LYS A 64 -3.301 -0.357 -3.369 1.00 0.00 N ATOM 952 CA LYS A 64 -3.220 1.017 -2.886 1.00 0.00 C ATOM 953 C LYS A 64 -4.608 1.566 -2.572 1.00 0.00 C ATOM 954 O LYS A 64 -5.500 1.550 -3.420 1.00 0.00 O ATOM 955 CB LYS A 64 -2.532 1.905 -3.926 1.00 0.00 C ATOM 956 CG LYS A 64 -3.156 1.818 -5.308 1.00 0.00 C ATOM 957 CD LYS A 64 -2.879 3.069 -6.124 1.00 0.00 C ATOM 958 CE LYS A 64 -3.946 3.290 -7.185 1.00 0.00 C ATOM 959 NZ LYS A 64 -5.228 3.765 -6.594 1.00 0.00 N ATOM 0 H LYS A 64 -3.791 -0.463 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.632 1.019 -1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.565 2.940 -3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.481 1.624 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.763 0.946 -5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.232 1.675 -5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.837 3.934 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.902 2.985 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.589 4.020 -7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.118 2.359 -7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.858 4.096 -7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.684 2.984 -6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.038 4.547 -5.936 1.00 0.00 H new ATOM 973 N VAL A 65 -4.783 2.053 -1.347 1.00 0.00 N ATOM 974 CA VAL A 65 -6.062 2.609 -0.922 1.00 0.00 C ATOM 975 C VAL A 65 -5.929 4.087 -0.570 1.00 0.00 C ATOM 976 O VAL A 65 -4.930 4.509 0.012 1.00 0.00 O ATOM 977 CB VAL A 65 -6.626 1.852 0.295 1.00 0.00 C ATOM 978 CG1 VAL A 65 -7.922 2.493 0.768 1.00 0.00 C ATOM 979 CG2 VAL A 65 -6.840 0.385 -0.043 1.00 0.00 C ATOM 0 H VAL A 65 -4.056 2.074 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.750 2.498 -1.760 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.901 1.912 1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.306 1.945 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.733 3.528 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.656 2.466 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.239 -0.135 0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.545 0.301 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.889 -0.065 -0.330 1.00 0.00 H new ATOM 989 N ASP A 66 -6.942 4.868 -0.928 1.00 0.00 N ATOM 990 CA ASP A 66 -6.939 6.299 -0.649 1.00 0.00 C ATOM 991 C ASP A 66 -7.672 6.600 0.655 1.00 0.00 C ATOM 992 O ASP A 66 -8.872 6.875 0.655 1.00 0.00 O ATOM 993 CB ASP A 66 -7.588 7.066 -1.802 1.00 0.00 C ATOM 994 CG ASP A 66 -6.897 6.813 -3.127 1.00 0.00 C ATOM 995 OD1 ASP A 66 -6.513 5.652 -3.383 1.00 0.00 O ATOM 996 OD2 ASP A 66 -6.739 7.775 -3.908 1.00 0.00 O ATOM 0 H ASP A 66 -7.776 4.534 -1.412 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.903 6.622 -0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.636 6.778 -1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.566 8.133 -1.582 1.00 0.00 H new ATOM 1001 N ALA A 67 -6.943 6.545 1.764 1.00 0.00 N ATOM 1002 CA ALA A 67 -7.523 6.813 3.074 1.00 0.00 C ATOM 1003 C ALA A 67 -8.365 8.084 3.052 1.00 0.00 C ATOM 1004 O ALA A 67 -9.208 8.299 3.924 1.00 0.00 O ATOM 1005 CB ALA A 67 -6.428 6.921 4.125 1.00 0.00 C ATOM 0 H ALA A 67 -5.949 6.317 1.782 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.177 5.980 3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.876 7.121 5.098 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.871 5.985 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.751 7.734 3.863 1.00 0.00 H new ATOM 1011 N THR A 68 -8.130 8.927 2.051 1.00 0.00 N ATOM 1012 CA THR A 68 -8.865 10.178 1.917 1.00 0.00 C ATOM 1013 C THR A 68 -10.318 9.923 1.531 1.00 0.00 C ATOM 1014 O THR A 68 -11.227 10.587 2.028 1.00 0.00 O ATOM 1015 CB THR A 68 -8.220 11.099 0.864 1.00 0.00 C ATOM 1016 OG1 THR A 68 -8.198 10.446 -0.410 1.00 0.00 O ATOM 1017 CG2 THR A 68 -6.803 11.476 1.270 1.00 0.00 C ATOM 0 H THR A 68 -7.436 8.765 1.321 1.00 0.00 H new ATOM 0 HA THR A 68 -8.831 10.670 2.889 1.00 0.00 H new ATOM 0 HB THR A 68 -8.816 12.009 0.796 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.938 11.089 -1.103 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.368 12.127 0.511 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.825 11.998 2.226 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.199 10.573 1.364 1.00 0.00 H new ATOM 1025 N GLU A 69 -10.529 8.958 0.641 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.873 8.617 0.189 1.00 0.00 C ATOM 1027 C GLU A 69 -12.407 7.401 0.940 1.00 0.00 C ATOM 1028 O GLU A 69 -13.614 7.257 1.129 1.00 0.00 O ATOM 1029 CB GLU A 69 -11.874 8.342 -1.316 1.00 0.00 C ATOM 1030 CG GLU A 69 -13.266 8.183 -1.904 1.00 0.00 C ATOM 1031 CD GLU A 69 -14.202 9.306 -1.500 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -14.677 9.294 -0.346 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -14.459 10.195 -2.338 1.00 0.00 O ATOM 0 H GLU A 69 -9.787 8.399 0.219 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.525 9.466 0.396 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.364 9.159 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.300 7.436 -1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.195 8.147 -2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.686 7.231 -1.581 1.00 0.00 H new ATOM 1040 N GLN A 70 -11.498 6.528 1.364 1.00 0.00 N ATOM 1041 CA GLN A 70 -11.878 5.324 2.093 1.00 0.00 C ATOM 1042 C GLN A 70 -11.620 5.487 3.587 1.00 0.00 C ATOM 1043 O GLN A 70 -11.191 4.550 4.260 1.00 0.00 O ATOM 1044 CB GLN A 70 -11.107 4.115 1.559 1.00 0.00 C ATOM 1045 CG GLN A 70 -11.219 3.938 0.053 1.00 0.00 C ATOM 1046 CD GLN A 70 -12.653 3.778 -0.411 1.00 0.00 C ATOM 1047 OE1 GLN A 70 -13.558 3.557 0.395 1.00 0.00 O ATOM 1048 NE2 GLN A 70 -12.869 3.889 -1.716 1.00 0.00 N ATOM 0 H GLN A 70 -10.494 6.632 1.215 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.945 5.161 1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.056 4.218 1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.475 3.214 2.051 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.774 4.800 -0.444 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.643 3.063 -0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.090 4.073 -2.348 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.814 3.791 -2.087 1.00 0.00 H new ATOM 1057 N THR A 71 -11.884 6.685 4.101 1.00 0.00 N ATOM 1058 CA THR A 71 -11.679 6.972 5.515 1.00 0.00 C ATOM 1059 C THR A 71 -12.237 5.855 6.389 1.00 0.00 C ATOM 1060 O THR A 71 -11.634 5.481 7.395 1.00 0.00 O ATOM 1061 CB THR A 71 -12.339 8.304 5.919 1.00 0.00 C ATOM 1062 OG1 THR A 71 -13.753 8.234 5.707 1.00 0.00 O ATOM 1063 CG2 THR A 71 -11.758 9.460 5.120 1.00 0.00 C ATOM 0 H THR A 71 -12.240 7.472 3.558 1.00 0.00 H new ATOM 0 HA THR A 71 -10.603 7.047 5.670 1.00 0.00 H new ATOM 0 HB THR A 71 -12.139 8.477 6.976 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.165 9.084 5.968 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.240 10.390 5.423 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.686 9.529 5.307 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.931 9.291 4.057 1.00 0.00 H new ATOM 1071 N ASP A 72 -13.392 5.326 5.999 1.00 0.00 N ATOM 1072 CA ASP A 72 -14.031 4.249 6.747 1.00 0.00 C ATOM 1073 C ASP A 72 -13.035 3.134 7.053 1.00 0.00 C ATOM 1074 O ASP A 72 -12.996 2.611 8.167 1.00 0.00 O ATOM 1075 CB ASP A 72 -15.218 3.689 5.962 1.00 0.00 C ATOM 1076 CG ASP A 72 -16.499 4.456 6.223 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -16.602 5.090 7.294 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -17.399 4.421 5.358 1.00 0.00 O ATOM 0 H ASP A 72 -13.905 5.625 5.170 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.391 4.659 7.691 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.991 3.718 4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.364 2.642 6.228 1.00 0.00 H new ATOM 1083 N LEU A 73 -12.233 2.775 6.057 1.00 0.00 N ATOM 1084 CA LEU A 73 -11.238 1.721 6.218 1.00 0.00 C ATOM 1085 C LEU A 73 -10.097 2.183 7.120 1.00 0.00 C ATOM 1086 O LEU A 73 -9.643 1.443 7.992 1.00 0.00 O ATOM 1087 CB LEU A 73 -10.687 1.299 4.855 1.00 0.00 C ATOM 1088 CG LEU A 73 -11.691 0.667 3.892 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -11.037 0.383 2.548 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -12.269 -0.610 4.486 1.00 0.00 C ATOM 0 H LEU A 73 -12.252 3.198 5.129 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.724 0.865 6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.254 2.176 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.874 0.591 5.017 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.507 1.373 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.768 -0.067 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.673 1.315 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.202 -0.303 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -12.982 -1.046 3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.464 -1.320 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.775 -0.379 5.423 1.00 0.00 H new ATOM 1102 N ALA A 74 -9.640 3.412 6.904 1.00 0.00 N ATOM 1103 CA ALA A 74 -8.556 3.975 7.700 1.00 0.00 C ATOM 1104 C ALA A 74 -8.882 3.921 9.188 1.00 0.00 C ATOM 1105 O ALA A 74 -8.133 3.347 9.979 1.00 0.00 O ATOM 1106 CB ALA A 74 -8.274 5.407 7.270 1.00 0.00 C ATOM 0 H ALA A 74 -10.004 4.037 6.184 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.663 3.374 7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.462 5.815 7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.988 5.421 6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.170 6.012 7.410 1.00 0.00 H new ATOM 1112 N LYS A 75 -10.005 4.524 9.565 1.00 0.00 N ATOM 1113 CA LYS A 75 -10.432 4.546 10.959 1.00 0.00 C ATOM 1114 C LYS A 75 -10.361 3.151 11.571 1.00 0.00 C ATOM 1115 O LYS A 75 -9.918 2.983 12.707 1.00 0.00 O ATOM 1116 CB LYS A 75 -11.858 5.091 11.069 1.00 0.00 C ATOM 1117 CG LYS A 75 -11.970 6.570 10.741 1.00 0.00 C ATOM 1118 CD LYS A 75 -13.119 7.222 11.493 1.00 0.00 C ATOM 1119 CE LYS A 75 -13.296 8.677 11.088 1.00 0.00 C ATOM 1120 NZ LYS A 75 -12.225 9.544 11.652 1.00 0.00 N ATOM 0 H LYS A 75 -10.636 5.004 8.924 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.756 5.200 11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.506 4.528 10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.225 4.923 12.081 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.036 7.072 10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.118 6.696 9.668 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.041 6.674 11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.934 7.162 12.565 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.291 8.754 10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.268 9.033 11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.381 10.528 11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.246 9.490 12.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.299 9.220 11.307 1.00 0.00 H new ATOM 1134 N ARG A 76 -10.800 2.153 10.810 1.00 0.00 N ATOM 1135 CA ARG A 76 -10.786 0.772 11.279 1.00 0.00 C ATOM 1136 C ARG A 76 -9.370 0.336 11.642 1.00 0.00 C ATOM 1137 O ARG A 76 -9.168 -0.436 12.579 1.00 0.00 O ATOM 1138 CB ARG A 76 -11.359 -0.158 10.208 1.00 0.00 C ATOM 1139 CG ARG A 76 -11.262 -1.632 10.566 1.00 0.00 C ATOM 1140 CD ARG A 76 -11.456 -2.516 9.343 1.00 0.00 C ATOM 1141 NE ARG A 76 -11.516 -3.932 9.696 1.00 0.00 N ATOM 1142 CZ ARG A 76 -12.020 -4.867 8.899 1.00 0.00 C ATOM 1143 NH1 ARG A 76 -12.504 -4.538 7.709 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -12.040 -6.135 9.290 1.00 0.00 N ATOM 0 H ARG A 76 -11.169 2.275 9.867 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.407 0.711 12.173 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.405 0.098 10.038 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.832 0.015 9.269 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.289 -1.836 11.013 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.015 -1.876 11.316 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.375 -2.231 8.831 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.637 -2.351 8.643 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.151 -4.218 10.604 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.490 -3.565 7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.891 -5.258 7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.668 -6.393 10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.428 -6.852 8.676 1.00 0.00 H new ATOM 1158 N PHE A 77 -8.392 0.834 10.893 1.00 0.00 N ATOM 1159 CA PHE A 77 -6.995 0.495 11.134 1.00 0.00 C ATOM 1160 C PHE A 77 -6.279 1.625 11.869 1.00 0.00 C ATOM 1161 O PHE A 77 -5.057 1.754 11.792 1.00 0.00 O ATOM 1162 CB PHE A 77 -6.283 0.200 9.812 1.00 0.00 C ATOM 1163 CG PHE A 77 -7.029 -0.761 8.931 1.00 0.00 C ATOM 1164 CD1 PHE A 77 -7.152 -2.094 9.288 1.00 0.00 C ATOM 1165 CD2 PHE A 77 -7.606 -0.332 7.747 1.00 0.00 C ATOM 1166 CE1 PHE A 77 -7.837 -2.981 8.479 1.00 0.00 C ATOM 1167 CE2 PHE A 77 -8.293 -1.214 6.935 1.00 0.00 C ATOM 1168 CZ PHE A 77 -8.409 -2.540 7.301 1.00 0.00 C ATOM 0 H PHE A 77 -8.542 1.474 10.113 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.968 -0.397 11.760 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.134 1.135 9.272 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.294 -0.206 10.024 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.708 -2.444 10.208 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.518 0.704 7.455 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -7.925 -4.018 8.767 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.739 -0.866 6.015 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.946 -3.231 6.668 1.00 0.00 H new ATOM 1178 N ASP A 78 -7.050 2.441 12.580 1.00 0.00 N ATOM 1179 CA ASP A 78 -6.491 3.561 13.329 1.00 0.00 C ATOM 1180 C ASP A 78 -5.450 4.305 12.498 1.00 0.00 C ATOM 1181 O ASP A 78 -4.401 4.699 13.008 1.00 0.00 O ATOM 1182 CB ASP A 78 -5.864 3.067 14.633 1.00 0.00 C ATOM 1183 CG ASP A 78 -5.436 4.206 15.538 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -6.204 5.181 15.666 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -4.332 4.122 16.116 1.00 0.00 O ATOM 0 H ASP A 78 -8.063 2.348 12.653 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.302 4.251 13.564 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.580 2.437 15.161 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.999 2.444 14.404 1.00 0.00 H new ATOM 1190 N VAL A 79 -5.747 4.493 11.216 1.00 0.00 N ATOM 1191 CA VAL A 79 -4.837 5.189 10.315 1.00 0.00 C ATOM 1192 C VAL A 79 -4.986 6.701 10.445 1.00 0.00 C ATOM 1193 O VAL A 79 -5.950 7.285 9.951 1.00 0.00 O ATOM 1194 CB VAL A 79 -5.080 4.784 8.849 1.00 0.00 C ATOM 1195 CG1 VAL A 79 -4.147 5.548 7.922 1.00 0.00 C ATOM 1196 CG2 VAL A 79 -4.907 3.283 8.675 1.00 0.00 C ATOM 0 H VAL A 79 -6.611 4.173 10.778 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.825 4.900 10.601 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.106 5.041 8.585 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.333 5.249 6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.326 6.618 8.027 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.112 5.326 8.183 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.082 3.015 7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.893 2.998 8.957 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.621 2.758 9.310 1.00 0.00 H new ATOM 1206 N SER A 80 -4.023 7.329 11.112 1.00 0.00 N ATOM 1207 CA SER A 80 -4.048 8.774 11.310 1.00 0.00 C ATOM 1208 C SER A 80 -2.704 9.396 10.944 1.00 0.00 C ATOM 1209 O SER A 80 -2.245 10.336 11.590 1.00 0.00 O ATOM 1210 CB SER A 80 -4.397 9.105 12.763 1.00 0.00 C ATOM 1211 OG SER A 80 -4.809 10.454 12.893 1.00 0.00 O ATOM 0 H SER A 80 -3.216 6.860 11.524 1.00 0.00 H new ATOM 0 HA SER A 80 -4.813 9.192 10.655 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.191 8.444 13.109 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.531 8.923 13.399 1.00 0.00 H new ATOM 0 HG SER A 80 -4.118 11.044 12.525 1.00 0.00 H new ATOM 1217 N GLY A 81 -2.077 8.862 9.899 1.00 0.00 N ATOM 1218 CA GLY A 81 -0.792 9.376 9.464 1.00 0.00 C ATOM 1219 C GLY A 81 -0.236 8.615 8.276 1.00 0.00 C ATOM 1220 O GLY A 81 0.286 7.510 8.427 1.00 0.00 O ATOM 0 H GLY A 81 -2.436 8.083 9.347 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.895 10.429 9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.083 9.322 10.291 1.00 0.00 H new ATOM 1224 N TYR A 82 -0.348 9.207 7.092 1.00 0.00 N ATOM 1225 CA TYR A 82 0.144 8.576 5.873 1.00 0.00 C ATOM 1226 C TYR A 82 1.577 9.006 5.577 1.00 0.00 C ATOM 1227 O TYR A 82 2.034 10.069 6.000 1.00 0.00 O ATOM 1228 CB TYR A 82 -0.760 8.927 4.691 1.00 0.00 C ATOM 1229 CG TYR A 82 -2.185 9.241 5.090 1.00 0.00 C ATOM 1230 CD1 TYR A 82 -2.785 8.592 6.162 1.00 0.00 C ATOM 1231 CD2 TYR A 82 -2.930 10.186 4.396 1.00 0.00 C ATOM 1232 CE1 TYR A 82 -4.086 8.875 6.530 1.00 0.00 C ATOM 1233 CE2 TYR A 82 -4.231 10.476 4.757 1.00 0.00 C ATOM 1234 CZ TYR A 82 -4.805 9.818 5.825 1.00 0.00 C ATOM 1235 OH TYR A 82 -6.101 10.103 6.189 1.00 0.00 O ATOM 0 H TYR A 82 -0.775 10.122 6.951 1.00 0.00 H new ATOM 0 HA TYR A 82 0.132 7.496 6.023 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -0.341 9.786 4.166 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -0.764 8.094 3.988 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.225 7.854 6.717 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.484 10.703 3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.538 8.361 7.365 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.796 11.214 4.206 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.465 10.790 5.592 1.00 0.00 H new ATOM 1245 N PRO A 83 2.306 8.162 4.832 1.00 0.00 N ATOM 1246 CA PRO A 83 1.774 6.894 4.323 1.00 0.00 C ATOM 1247 C PRO A 83 1.547 5.874 5.434 1.00 0.00 C ATOM 1248 O PRO A 83 2.251 5.873 6.444 1.00 0.00 O ATOM 1249 CB PRO A 83 2.866 6.410 3.366 1.00 0.00 C ATOM 1250 CG PRO A 83 4.116 7.048 3.864 1.00 0.00 C ATOM 1251 CD PRO A 83 3.705 8.380 4.428 1.00 0.00 C ATOM 0 HA PRO A 83 0.800 7.020 3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.946 5.323 3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.652 6.706 2.339 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.592 6.431 4.627 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.839 7.172 3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.328 8.667 5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.790 9.174 3.686 1.00 0.00 H new ATOM 1259 N THR A 84 0.560 5.004 5.240 1.00 0.00 N ATOM 1260 CA THR A 84 0.240 3.979 6.225 1.00 0.00 C ATOM 1261 C THR A 84 0.068 2.616 5.564 1.00 0.00 C ATOM 1262 O THR A 84 -0.994 2.309 5.021 1.00 0.00 O ATOM 1263 CB THR A 84 -1.044 4.327 7.001 1.00 0.00 C ATOM 1264 OG1 THR A 84 -1.006 5.695 7.423 1.00 0.00 O ATOM 1265 CG2 THR A 84 -1.206 3.421 8.213 1.00 0.00 C ATOM 0 H THR A 84 -0.031 4.989 4.409 1.00 0.00 H new ATOM 0 HA THR A 84 1.077 3.938 6.922 1.00 0.00 H new ATOM 0 HB THR A 84 -1.896 4.176 6.338 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.167 5.867 7.900 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.120 3.685 8.745 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.264 2.383 7.886 1.00 0.00 H new ATOM 0 HG23 THR A 84 -0.350 3.545 8.877 1.00 0.00 H new ATOM 1273 N LEU A 85 1.117 1.803 5.614 1.00 0.00 N ATOM 1274 CA LEU A 85 1.081 0.471 5.020 1.00 0.00 C ATOM 1275 C LEU A 85 0.705 -0.579 6.061 1.00 0.00 C ATOM 1276 O LEU A 85 1.055 -0.459 7.235 1.00 0.00 O ATOM 1277 CB LEU A 85 2.438 0.130 4.402 1.00 0.00 C ATOM 1278 CG LEU A 85 2.888 1.017 3.241 1.00 0.00 C ATOM 1279 CD1 LEU A 85 3.625 2.242 3.761 1.00 0.00 C ATOM 1280 CD2 LEU A 85 3.768 0.232 2.280 1.00 0.00 C ATOM 0 H LEU A 85 2.003 2.042 6.059 1.00 0.00 H new ATOM 0 HA LEU A 85 0.322 0.469 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.194 0.180 5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.407 -0.902 4.054 1.00 0.00 H new ATOM 0 HG LEU A 85 2.003 1.352 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.938 2.862 2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.964 2.817 4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.502 1.926 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.079 0.879 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.649 -0.133 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.208 -0.614 1.882 1.00 0.00 H new ATOM 1292 N LYS A 86 -0.009 -1.610 5.622 1.00 0.00 N ATOM 1293 CA LYS A 86 -0.430 -2.685 6.513 1.00 0.00 C ATOM 1294 C LYS A 86 -0.652 -3.979 5.738 1.00 0.00 C ATOM 1295 O LYS A 86 -1.284 -3.980 4.682 1.00 0.00 O ATOM 1296 CB LYS A 86 -1.714 -2.292 7.249 1.00 0.00 C ATOM 1297 CG LYS A 86 -1.491 -1.288 8.367 1.00 0.00 C ATOM 1298 CD LYS A 86 -2.497 -1.473 9.491 1.00 0.00 C ATOM 1299 CE LYS A 86 -2.527 -0.266 10.416 1.00 0.00 C ATOM 1300 NZ LYS A 86 -1.486 -0.354 11.477 1.00 0.00 N ATOM 0 H LYS A 86 -0.309 -1.724 4.654 1.00 0.00 H new ATOM 0 HA LYS A 86 0.364 -2.850 7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.420 -1.874 6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.174 -3.189 7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.480 -1.398 8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.570 -0.276 7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.489 -1.635 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.244 -2.365 10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.375 0.642 9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.511 -0.187 10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.539 0.487 12.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.645 -1.207 12.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.545 -0.403 11.037 1.00 0.00 H new ATOM 1314 N ILE A 87 -0.130 -5.079 6.270 1.00 0.00 N ATOM 1315 CA ILE A 87 -0.274 -6.380 5.629 1.00 0.00 C ATOM 1316 C ILE A 87 -1.602 -7.032 5.999 1.00 0.00 C ATOM 1317 O ILE A 87 -2.139 -6.800 7.082 1.00 0.00 O ATOM 1318 CB ILE A 87 0.876 -7.329 6.016 1.00 0.00 C ATOM 1319 CG1 ILE A 87 2.211 -6.783 5.504 1.00 0.00 C ATOM 1320 CG2 ILE A 87 0.621 -8.723 5.464 1.00 0.00 C ATOM 1321 CD1 ILE A 87 3.415 -7.509 6.063 1.00 0.00 C ATOM 0 H ILE A 87 0.397 -5.095 7.143 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.245 -6.206 4.553 1.00 0.00 H new ATOM 0 HB ILE A 87 0.924 -7.393 7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.229 -6.851 4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.284 -5.726 5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.442 -9.382 5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.312 -9.111 5.873 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.550 -8.677 4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.326 -7.069 5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.422 -7.420 7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.366 -8.562 5.786 1.00 0.00 H new ATOM 1333 N PHE A 88 -2.127 -7.849 5.092 1.00 0.00 N ATOM 1334 CA PHE A 88 -3.392 -8.536 5.323 1.00 0.00 C ATOM 1335 C PHE A 88 -3.311 -9.992 4.873 1.00 0.00 C ATOM 1336 O PHE A 88 -2.800 -10.291 3.793 1.00 0.00 O ATOM 1337 CB PHE A 88 -4.526 -7.823 4.584 1.00 0.00 C ATOM 1338 CG PHE A 88 -4.887 -6.492 5.179 1.00 0.00 C ATOM 1339 CD1 PHE A 88 -4.060 -5.394 5.006 1.00 0.00 C ATOM 1340 CD2 PHE A 88 -6.053 -6.339 5.911 1.00 0.00 C ATOM 1341 CE1 PHE A 88 -4.389 -4.169 5.554 1.00 0.00 C ATOM 1342 CE2 PHE A 88 -6.388 -5.116 6.461 1.00 0.00 C ATOM 1343 CZ PHE A 88 -5.555 -4.029 6.281 1.00 0.00 C ATOM 0 H PHE A 88 -1.696 -8.051 4.190 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.597 -8.517 6.393 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -4.237 -7.680 3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -5.408 -8.463 4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.148 -5.497 4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.708 -7.186 6.054 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.735 -3.321 5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.300 -5.010 7.031 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.815 -3.072 6.708 1.00 0.00 H new ATOM 1353 N ARG A 89 -3.819 -10.892 5.707 1.00 0.00 N ATOM 1354 CA ARG A 89 -3.803 -12.317 5.397 1.00 0.00 C ATOM 1355 C ARG A 89 -5.200 -12.917 5.526 1.00 0.00 C ATOM 1356 O ARG A 89 -5.711 -13.096 6.631 1.00 0.00 O ATOM 1357 CB ARG A 89 -2.833 -13.052 6.323 1.00 0.00 C ATOM 1358 CG ARG A 89 -1.479 -12.374 6.448 1.00 0.00 C ATOM 1359 CD ARG A 89 -0.470 -13.270 7.150 1.00 0.00 C ATOM 1360 NE ARG A 89 -0.820 -13.498 8.549 1.00 0.00 N ATOM 1361 CZ ARG A 89 -1.580 -14.507 8.961 1.00 0.00 C ATOM 1362 NH1 ARG A 89 -2.066 -15.376 8.085 1.00 0.00 N ATOM 1363 NH2 ARG A 89 -1.855 -14.649 10.251 1.00 0.00 N ATOM 0 H ARG A 89 -4.247 -10.660 6.603 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.469 -12.435 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -3.281 -13.135 7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.689 -14.067 5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.108 -12.114 5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.587 -11.442 7.003 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.412 -14.226 6.631 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.519 -12.816 7.093 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.462 -12.847 9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.857 -15.271 7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.649 -16.150 8.404 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.483 -13.983 10.928 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.439 -15.424 10.566 1.00 0.00 H new ATOM 1377 N LYS A 90 -5.814 -13.225 4.388 1.00 0.00 N ATOM 1378 CA LYS A 90 -7.151 -13.805 4.372 1.00 0.00 C ATOM 1379 C LYS A 90 -8.089 -13.038 5.298 1.00 0.00 C ATOM 1380 O LYS A 90 -9.006 -13.612 5.883 1.00 0.00 O ATOM 1381 CB LYS A 90 -7.096 -15.277 4.790 1.00 0.00 C ATOM 1382 CG LYS A 90 -6.423 -16.175 3.766 1.00 0.00 C ATOM 1383 CD LYS A 90 -7.295 -16.369 2.537 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.254 -17.537 2.712 1.00 0.00 C ATOM 1385 NZ LYS A 90 -9.389 -17.192 3.612 1.00 0.00 N ATOM 0 H LYS A 90 -5.406 -13.082 3.464 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.537 -13.736 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.563 -15.357 5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.111 -15.635 4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.468 -15.740 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.207 -17.144 4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.861 -15.458 2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.664 -16.543 1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.641 -17.838 1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.714 -18.392 3.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.230 -17.738 3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.135 -17.421 4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.596 -16.176 3.536 1.00 0.00 H new ATOM 1399 N GLY A 91 -7.852 -11.735 5.426 1.00 0.00 N ATOM 1400 CA GLY A 91 -8.685 -10.911 6.281 1.00 0.00 C ATOM 1401 C GLY A 91 -8.070 -10.688 7.649 1.00 0.00 C ATOM 1402 O GLY A 91 -8.782 -10.574 8.646 1.00 0.00 O ATOM 0 H GLY A 91 -7.098 -11.237 4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.853 -9.947 5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.660 -11.383 6.397 1.00 0.00 H new ATOM 1406 N ARG A 92 -6.743 -10.628 7.697 1.00 0.00 N ATOM 1407 CA ARG A 92 -6.032 -10.421 8.952 1.00 0.00 C ATOM 1408 C ARG A 92 -4.976 -9.329 8.806 1.00 0.00 C ATOM 1409 O ARG A 92 -3.877 -9.558 8.300 1.00 0.00 O ATOM 1410 CB ARG A 92 -5.375 -11.723 9.412 1.00 0.00 C ATOM 1411 CG ARG A 92 -6.317 -12.649 10.164 1.00 0.00 C ATOM 1412 CD ARG A 92 -5.863 -14.097 10.075 1.00 0.00 C ATOM 1413 NE ARG A 92 -6.651 -14.972 10.940 1.00 0.00 N ATOM 1414 CZ ARG A 92 -6.513 -15.019 12.260 1.00 0.00 C ATOM 1415 NH1 ARG A 92 -5.622 -14.245 12.864 1.00 0.00 N ATOM 1416 NH2 ARG A 92 -7.267 -15.841 12.978 1.00 0.00 N ATOM 0 H ARG A 92 -6.139 -10.720 6.880 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.756 -10.103 9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.981 -12.248 8.542 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.526 -11.485 10.052 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.368 -12.346 11.210 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.323 -12.556 9.755 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.943 -14.439 9.043 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.811 -14.165 10.352 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.345 -15.580 10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.041 -13.612 12.315 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.518 -14.283 13.878 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.953 -16.438 12.516 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.160 -15.876 13.992 1.00 0.00 H new ATOM 1430 N PRO A 93 -5.315 -8.113 9.258 1.00 0.00 N ATOM 1431 CA PRO A 93 -4.410 -6.961 9.188 1.00 0.00 C ATOM 1432 C PRO A 93 -3.228 -7.094 10.142 1.00 0.00 C ATOM 1433 O PRO A 93 -3.360 -7.645 11.236 1.00 0.00 O ATOM 1434 CB PRO A 93 -5.300 -5.785 9.598 1.00 0.00 C ATOM 1435 CG PRO A 93 -6.369 -6.394 10.437 1.00 0.00 C ATOM 1436 CD PRO A 93 -6.608 -7.767 9.872 1.00 0.00 C ATOM 0 HA PRO A 93 -3.965 -6.851 8.199 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -4.736 -5.038 10.156 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.719 -5.283 8.726 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.061 -6.450 11.481 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.279 -5.795 10.405 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.887 -8.478 10.649 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.414 -7.765 9.138 1.00 0.00 H new ATOM 1444 N PHE A 94 -2.074 -6.587 9.722 1.00 0.00 N ATOM 1445 CA PHE A 94 -0.869 -6.649 10.540 1.00 0.00 C ATOM 1446 C PHE A 94 -0.017 -5.397 10.350 1.00 0.00 C ATOM 1447 O PHE A 94 0.372 -5.062 9.232 1.00 0.00 O ATOM 1448 CB PHE A 94 -0.052 -7.894 10.188 1.00 0.00 C ATOM 1449 CG PHE A 94 -0.780 -9.182 10.446 1.00 0.00 C ATOM 1450 CD1 PHE A 94 -0.691 -9.808 11.679 1.00 0.00 C ATOM 1451 CD2 PHE A 94 -1.553 -9.767 9.457 1.00 0.00 C ATOM 1452 CE1 PHE A 94 -1.359 -10.993 11.920 1.00 0.00 C ATOM 1453 CE2 PHE A 94 -2.224 -10.952 9.691 1.00 0.00 C ATOM 1454 CZ PHE A 94 -2.127 -11.566 10.925 1.00 0.00 C ATOM 0 H PHE A 94 -1.948 -6.128 8.820 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.172 -6.705 11.585 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.228 -7.849 9.136 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.873 -7.887 10.765 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.092 -9.364 12.461 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.632 -9.291 8.491 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.281 -11.471 12.885 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -2.823 -11.398 8.911 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.651 -12.492 11.111 1.00 0.00 H new ATOM 1464 N ASP A 95 0.267 -4.710 11.451 1.00 0.00 N ATOM 1465 CA ASP A 95 1.072 -3.495 11.407 1.00 0.00 C ATOM 1466 C ASP A 95 2.346 -3.716 10.598 1.00 0.00 C ATOM 1467 O ASP A 95 3.246 -4.442 11.022 1.00 0.00 O ATOM 1468 CB ASP A 95 1.427 -3.041 12.824 1.00 0.00 C ATOM 1469 CG ASP A 95 1.845 -4.195 13.714 1.00 0.00 C ATOM 1470 OD1 ASP A 95 2.978 -4.693 13.548 1.00 0.00 O ATOM 1471 OD2 ASP A 95 1.039 -4.600 14.578 1.00 0.00 O ATOM 0 H ASP A 95 -0.048 -4.974 12.385 1.00 0.00 H new ATOM 0 HA ASP A 95 0.484 -2.717 10.920 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.235 -2.311 12.777 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.568 -2.537 13.267 1.00 0.00 H new ATOM 1476 N TYR A 96 2.415 -3.088 9.430 1.00 0.00 N ATOM 1477 CA TYR A 96 3.577 -3.219 8.558 1.00 0.00 C ATOM 1478 C TYR A 96 4.774 -2.464 9.129 1.00 0.00 C ATOM 1479 O TYR A 96 4.728 -1.247 9.304 1.00 0.00 O ATOM 1480 CB TYR A 96 3.252 -2.697 7.158 1.00 0.00 C ATOM 1481 CG TYR A 96 4.438 -2.697 6.221 1.00 0.00 C ATOM 1482 CD1 TYR A 96 4.915 -3.882 5.672 1.00 0.00 C ATOM 1483 CD2 TYR A 96 5.084 -1.514 5.885 1.00 0.00 C ATOM 1484 CE1 TYR A 96 5.999 -3.887 4.816 1.00 0.00 C ATOM 1485 CE2 TYR A 96 6.168 -1.510 5.029 1.00 0.00 C ATOM 1486 CZ TYR A 96 6.622 -2.699 4.497 1.00 0.00 C ATOM 1487 OH TYR A 96 7.702 -2.699 3.645 1.00 0.00 O ATOM 0 H TYR A 96 1.680 -2.483 9.064 1.00 0.00 H new ATOM 0 HA TYR A 96 3.834 -4.276 8.494 1.00 0.00 H new ATOM 0 HB2 TYR A 96 2.459 -3.308 6.727 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.864 -1.682 7.239 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.430 -4.815 5.919 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.733 -0.581 6.300 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.357 -4.817 4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.658 -0.581 4.778 1.00 0.00 H new ATOM 0 HH TYR A 96 8.229 -1.885 3.785 1.00 0.00 H new ATOM 1497 N ASN A 97 5.844 -3.197 9.417 1.00 0.00 N ATOM 1498 CA ASN A 97 7.055 -2.599 9.968 1.00 0.00 C ATOM 1499 C ASN A 97 8.281 -3.009 9.159 1.00 0.00 C ATOM 1500 O ASN A 97 8.648 -4.183 9.120 1.00 0.00 O ATOM 1501 CB ASN A 97 7.233 -3.013 11.430 1.00 0.00 C ATOM 1502 CG ASN A 97 6.311 -2.251 12.363 1.00 0.00 C ATOM 1503 OD1 ASN A 97 6.747 -1.366 13.099 1.00 0.00 O ATOM 1504 ND2 ASN A 97 5.028 -2.594 12.337 1.00 0.00 N ATOM 0 H ASN A 97 5.898 -4.206 9.278 1.00 0.00 H new ATOM 0 HA ASN A 97 6.952 -1.515 9.914 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.042 -4.082 11.528 1.00 0.00 H new ATOM 0 HB3 ASN A 97 8.268 -2.845 11.729 1.00 0.00 H new ATOM 0 HD21 ASN A 97 4.360 -2.117 12.943 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.710 -3.334 11.711 1.00 0.00 H new ATOM 1511 N GLY A 98 8.912 -2.032 8.515 1.00 0.00 N ATOM 1512 CA GLY A 98 10.091 -2.311 7.716 1.00 0.00 C ATOM 1513 C GLY A 98 10.476 -1.146 6.825 1.00 0.00 C ATOM 1514 O GLY A 98 10.094 -0.001 7.064 1.00 0.00 O ATOM 0 H GLY A 98 8.628 -1.053 8.532 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.925 -2.551 8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.909 -3.191 7.100 1.00 0.00 H new ATOM 1518 N PRO A 99 11.253 -1.435 5.770 1.00 0.00 N ATOM 1519 CA PRO A 99 11.708 -0.416 4.820 1.00 0.00 C ATOM 1520 C PRO A 99 10.571 0.124 3.959 1.00 0.00 C ATOM 1521 O PRO A 99 9.654 -0.612 3.592 1.00 0.00 O ATOM 1522 CB PRO A 99 12.724 -1.166 3.954 1.00 0.00 C ATOM 1523 CG PRO A 99 12.315 -2.595 4.043 1.00 0.00 C ATOM 1524 CD PRO A 99 11.746 -2.778 5.423 1.00 0.00 C ATOM 0 HA PRO A 99 12.120 0.457 5.326 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.704 -0.812 2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.740 -1.021 4.321 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.575 -2.837 3.280 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.167 -3.255 3.881 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.943 -3.515 5.432 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.503 -3.122 6.127 1.00 0.00 H new ATOM 1532 N ARG A 100 10.636 1.412 3.639 1.00 0.00 N ATOM 1533 CA ARG A 100 9.611 2.050 2.822 1.00 0.00 C ATOM 1534 C ARG A 100 10.129 2.320 1.413 1.00 0.00 C ATOM 1535 O ARG A 100 9.740 3.297 0.775 1.00 0.00 O ATOM 1536 CB ARG A 100 9.154 3.359 3.469 1.00 0.00 C ATOM 1537 CG ARG A 100 8.080 3.172 4.528 1.00 0.00 C ATOM 1538 CD ARG A 100 7.268 4.443 4.727 1.00 0.00 C ATOM 1539 NE ARG A 100 5.977 4.175 5.355 1.00 0.00 N ATOM 1540 CZ ARG A 100 5.805 4.078 6.669 1.00 0.00 C ATOM 1541 NH1 ARG A 100 6.836 4.227 7.489 1.00 0.00 N ATOM 1542 NH2 ARG A 100 4.599 3.832 7.164 1.00 0.00 N ATOM 0 H ARG A 100 11.388 2.035 3.933 1.00 0.00 H new ATOM 0 HA ARG A 100 8.761 1.371 2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.015 3.852 3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 100 8.776 4.025 2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.417 2.357 4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.544 2.883 5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.833 5.141 5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.109 4.926 3.763 1.00 0.00 H new ATOM 0 HE ARG A 100 5.163 4.056 4.752 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.764 4.417 7.112 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.701 4.152 8.497 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.804 3.717 6.536 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.467 3.758 8.173 1.00 0.00 H new ATOM 1556 N GLU A 101 11.010 1.447 0.934 1.00 0.00 N ATOM 1557 CA GLU A 101 11.583 1.593 -0.399 1.00 0.00 C ATOM 1558 C GLU A 101 11.146 0.447 -1.307 1.00 0.00 C ATOM 1559 O GLU A 101 10.904 -0.669 -0.846 1.00 0.00 O ATOM 1560 CB GLU A 101 13.110 1.641 -0.320 1.00 0.00 C ATOM 1561 CG GLU A 101 13.644 2.884 0.372 1.00 0.00 C ATOM 1562 CD GLU A 101 15.160 2.943 0.376 1.00 0.00 C ATOM 1563 OE1 GLU A 101 15.750 3.111 -0.711 1.00 0.00 O ATOM 1564 OE2 GLU A 101 15.755 2.822 1.468 1.00 0.00 O ATOM 0 H GLU A 101 11.342 0.632 1.449 1.00 0.00 H new ATOM 0 HA GLU A 101 11.219 2.529 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.466 0.758 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.519 1.593 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.251 3.770 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.280 2.908 1.399 1.00 0.00 H new ATOM 1571 N LYS A 102 11.045 0.731 -2.601 1.00 0.00 N ATOM 1572 CA LYS A 102 10.638 -0.274 -3.576 1.00 0.00 C ATOM 1573 C LYS A 102 11.245 -1.633 -3.243 1.00 0.00 C ATOM 1574 O LYS A 102 10.526 -2.601 -2.995 1.00 0.00 O ATOM 1575 CB LYS A 102 11.058 0.153 -4.985 1.00 0.00 C ATOM 1576 CG LYS A 102 10.840 -0.921 -6.036 1.00 0.00 C ATOM 1577 CD LYS A 102 11.792 -0.755 -7.209 1.00 0.00 C ATOM 1578 CE LYS A 102 12.019 -2.073 -7.934 1.00 0.00 C ATOM 1579 NZ LYS A 102 12.914 -1.910 -9.112 1.00 0.00 N ATOM 0 H LYS A 102 11.240 1.650 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 102 9.552 -0.362 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.498 1.045 -5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 102 12.112 0.429 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 102 10.982 -1.904 -5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.811 -0.879 -6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.388 -0.020 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.746 -0.366 -6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.454 -2.797 -7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.061 -2.479 -8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.262 -2.842 -9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.386 -1.467 -9.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.721 -1.306 -8.854 1.00 0.00 H new ATOM 1593 N TYR A 103 12.572 -1.697 -3.238 1.00 0.00 N ATOM 1594 CA TYR A 103 13.276 -2.938 -2.936 1.00 0.00 C ATOM 1595 C TYR A 103 12.907 -3.449 -1.547 1.00 0.00 C ATOM 1596 O TYR A 103 12.404 -4.561 -1.395 1.00 0.00 O ATOM 1597 CB TYR A 103 14.788 -2.727 -3.030 1.00 0.00 C ATOM 1598 CG TYR A 103 15.212 -1.912 -4.231 1.00 0.00 C ATOM 1599 CD1 TYR A 103 14.933 -2.344 -5.522 1.00 0.00 C ATOM 1600 CD2 TYR A 103 15.892 -0.711 -4.074 1.00 0.00 C ATOM 1601 CE1 TYR A 103 15.320 -1.603 -6.621 1.00 0.00 C ATOM 1602 CE2 TYR A 103 16.282 0.038 -5.168 1.00 0.00 C ATOM 1603 CZ TYR A 103 15.994 -0.413 -6.440 1.00 0.00 C ATOM 1604 OH TYR A 103 16.380 0.329 -7.533 1.00 0.00 O ATOM 0 H TYR A 103 13.182 -0.904 -3.440 1.00 0.00 H new ATOM 0 HA TYR A 103 12.974 -3.685 -3.670 1.00 0.00 H new ATOM 0 HB2 TYR A 103 15.134 -2.230 -2.124 1.00 0.00 H new ATOM 0 HB3 TYR A 103 15.280 -3.699 -3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 103 14.405 -3.275 -5.668 1.00 0.00 H new ATOM 0 HD2 TYR A 103 16.120 -0.356 -3.080 1.00 0.00 H new ATOM 0 HE1 TYR A 103 15.096 -1.953 -7.618 1.00 0.00 H new ATOM 0 HE2 TYR A 103 16.809 0.970 -5.028 1.00 0.00 H new ATOM 0 HH TYR A 103 16.842 1.139 -7.232 1.00 0.00 H new ATOM 1614 N GLY A 104 13.162 -2.626 -0.534 1.00 0.00 N ATOM 1615 CA GLY A 104 12.850 -3.011 0.830 1.00 0.00 C ATOM 1616 C GLY A 104 11.493 -3.676 0.950 1.00 0.00 C ATOM 1617 O GLY A 104 11.401 -4.854 1.295 1.00 0.00 O ATOM 0 H GLY A 104 13.579 -1.700 -0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 104 13.618 -3.692 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.876 -2.128 1.468 1.00 0.00 H new ATOM 1621 N ILE A 105 10.439 -2.919 0.667 1.00 0.00 N ATOM 1622 CA ILE A 105 9.080 -3.442 0.746 1.00 0.00 C ATOM 1623 C ILE A 105 9.004 -4.858 0.185 1.00 0.00 C ATOM 1624 O ILE A 105 8.385 -5.741 0.781 1.00 0.00 O ATOM 1625 CB ILE A 105 8.087 -2.546 -0.016 1.00 0.00 C ATOM 1626 CG1 ILE A 105 8.080 -1.135 0.577 1.00 0.00 C ATOM 1627 CG2 ILE A 105 6.691 -3.150 0.023 1.00 0.00 C ATOM 1628 CD1 ILE A 105 7.481 -0.096 -0.344 1.00 0.00 C ATOM 0 H ILE A 105 10.499 -1.942 0.381 1.00 0.00 H new ATOM 0 HA ILE A 105 8.807 -3.456 1.801 1.00 0.00 H new ATOM 0 HB ILE A 105 8.404 -2.481 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 105 7.521 -1.145 1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 105 9.103 -0.847 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.000 -2.505 -0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.708 -4.136 -0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 105 6.363 -3.242 1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 105 7.509 0.880 0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 105 8.054 -0.057 -1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.447 -0.361 -0.568 1.00 0.00 H new ATOM 1640 N VAL A 106 9.638 -5.069 -0.964 1.00 0.00 N ATOM 1641 CA VAL A 106 9.644 -6.379 -1.604 1.00 0.00 C ATOM 1642 C VAL A 106 10.300 -7.425 -0.710 1.00 0.00 C ATOM 1643 O VAL A 106 9.683 -8.430 -0.357 1.00 0.00 O ATOM 1644 CB VAL A 106 10.383 -6.339 -2.956 1.00 0.00 C ATOM 1645 CG1 VAL A 106 10.585 -7.747 -3.495 1.00 0.00 C ATOM 1646 CG2 VAL A 106 9.620 -5.481 -3.954 1.00 0.00 C ATOM 0 H VAL A 106 10.154 -4.350 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 106 8.603 -6.653 -1.774 1.00 0.00 H new ATOM 0 HB VAL A 106 11.364 -5.891 -2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.108 -7.699 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.176 -8.327 -2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.616 -8.225 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 106 10.156 -5.464 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 106 8.625 -5.898 -4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 106 9.532 -4.465 -3.568 1.00 0.00 H new ATOM 1656 N ASP A 107 11.555 -7.181 -0.346 1.00 0.00 N ATOM 1657 CA ASP A 107 12.295 -8.101 0.509 1.00 0.00 C ATOM 1658 C ASP A 107 11.488 -8.454 1.755 1.00 0.00 C ATOM 1659 O ASP A 107 11.523 -9.589 2.229 1.00 0.00 O ATOM 1660 CB ASP A 107 13.637 -7.489 0.912 1.00 0.00 C ATOM 1661 CG ASP A 107 14.429 -8.389 1.840 1.00 0.00 C ATOM 1662 OD1 ASP A 107 15.066 -9.340 1.342 1.00 0.00 O ATOM 1663 OD2 ASP A 107 14.411 -8.142 3.064 1.00 0.00 O ATOM 0 H ASP A 107 12.080 -6.354 -0.630 1.00 0.00 H new ATOM 0 HA ASP A 107 12.477 -9.016 -0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.225 -7.288 0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.464 -6.530 1.401 1.00 0.00 H new ATOM 1668 N TYR A 108 10.764 -7.472 2.281 1.00 0.00 N ATOM 1669 CA TYR A 108 9.951 -7.678 3.474 1.00 0.00 C ATOM 1670 C TYR A 108 8.771 -8.598 3.178 1.00 0.00 C ATOM 1671 O TYR A 108 8.676 -9.698 3.721 1.00 0.00 O ATOM 1672 CB TYR A 108 9.445 -6.337 4.008 1.00 0.00 C ATOM 1673 CG TYR A 108 8.785 -6.436 5.365 1.00 0.00 C ATOM 1674 CD1 TYR A 108 7.430 -6.721 5.481 1.00 0.00 C ATOM 1675 CD2 TYR A 108 9.516 -6.243 6.531 1.00 0.00 C ATOM 1676 CE1 TYR A 108 6.823 -6.812 6.719 1.00 0.00 C ATOM 1677 CE2 TYR A 108 8.917 -6.333 7.773 1.00 0.00 C ATOM 1678 CZ TYR A 108 7.571 -6.618 7.861 1.00 0.00 C ATOM 1679 OH TYR A 108 6.970 -6.708 9.097 1.00 0.00 O ATOM 0 H TYR A 108 10.723 -6.526 1.901 1.00 0.00 H new ATOM 0 HA TYR A 108 10.576 -8.152 4.231 1.00 0.00 H new ATOM 0 HB2 TYR A 108 10.282 -5.641 4.070 1.00 0.00 H new ATOM 0 HB3 TYR A 108 8.733 -5.917 3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 108 6.841 -6.874 4.589 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.570 -6.019 6.465 1.00 0.00 H new ATOM 0 HE1 TYR A 108 5.769 -7.034 6.792 1.00 0.00 H new ATOM 0 HE2 TYR A 108 9.500 -6.181 8.669 1.00 0.00 H new ATOM 0 HH TYR A 108 7.240 -5.944 9.649 1.00 0.00 H new ATOM 1689 N MET A 109 7.874 -8.139 2.312 1.00 0.00 N ATOM 1690 CA MET A 109 6.700 -8.921 1.941 1.00 0.00 C ATOM 1691 C MET A 109 7.069 -10.385 1.725 1.00 0.00 C ATOM 1692 O MET A 109 6.301 -11.285 2.067 1.00 0.00 O ATOM 1693 CB MET A 109 6.061 -8.352 0.673 1.00 0.00 C ATOM 1694 CG MET A 109 5.403 -6.997 0.879 1.00 0.00 C ATOM 1695 SD MET A 109 4.160 -7.020 2.185 1.00 0.00 S ATOM 1696 CE MET A 109 3.048 -8.283 1.570 1.00 0.00 C ATOM 0 H MET A 109 7.937 -7.230 1.854 1.00 0.00 H new ATOM 0 HA MET A 109 5.982 -8.862 2.759 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.824 -8.262 -0.100 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.315 -9.056 0.304 1.00 0.00 H new ATOM 0 HG2 MET A 109 6.168 -6.260 1.123 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.938 -6.677 -0.054 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.170 -8.340 2.214 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.739 -8.033 0.555 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.558 -9.246 1.566 1.00 0.00 H new ATOM 1706 N ILE A 110 8.247 -10.617 1.157 1.00 0.00 N ATOM 1707 CA ILE A 110 8.716 -11.972 0.897 1.00 0.00 C ATOM 1708 C ILE A 110 8.906 -12.747 2.196 1.00 0.00 C ATOM 1709 O ILE A 110 8.263 -13.772 2.417 1.00 0.00 O ATOM 1710 CB ILE A 110 10.044 -11.968 0.117 1.00 0.00 C ATOM 1711 CG1 ILE A 110 9.844 -11.355 -1.271 1.00 0.00 C ATOM 1712 CG2 ILE A 110 10.596 -13.381 0.003 1.00 0.00 C ATOM 1713 CD1 ILE A 110 11.112 -10.786 -1.869 1.00 0.00 C ATOM 0 H ILE A 110 8.894 -9.884 0.868 1.00 0.00 H new ATOM 0 HA ILE A 110 7.950 -12.460 0.294 1.00 0.00 H new ATOM 0 HB ILE A 110 10.766 -11.360 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.446 -12.116 -1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.096 -10.565 -1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 110 11.535 -13.361 -0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.771 -13.785 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 110 9.878 -14.011 -0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 110 10.895 -10.369 -2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.500 -10.002 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 110 11.855 -11.577 -1.967 1.00 0.00 H new ATOM 1725 N GLU A 111 9.791 -12.247 3.053 1.00 0.00 N ATOM 1726 CA GLU A 111 10.063 -12.893 4.332 1.00 0.00 C ATOM 1727 C GLU A 111 8.770 -13.134 5.106 1.00 0.00 C ATOM 1728 O GLU A 111 8.669 -14.083 5.883 1.00 0.00 O ATOM 1729 CB GLU A 111 11.019 -12.039 5.167 1.00 0.00 C ATOM 1730 CG GLU A 111 10.372 -10.792 5.747 1.00 0.00 C ATOM 1731 CD GLU A 111 11.028 -10.341 7.038 1.00 0.00 C ATOM 1732 OE1 GLU A 111 10.682 -10.895 8.103 1.00 0.00 O ATOM 1733 OE2 GLU A 111 11.886 -9.436 6.984 1.00 0.00 O ATOM 0 H GLU A 111 10.331 -11.398 2.885 1.00 0.00 H new ATOM 0 HA GLU A 111 10.530 -13.857 4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.416 -12.644 5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.865 -11.744 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.426 -9.986 5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.315 -10.987 5.930 1.00 0.00 H new ATOM 1740 N GLN A 112 7.787 -12.267 4.888 1.00 0.00 N ATOM 1741 CA GLN A 112 6.501 -12.385 5.566 1.00 0.00 C ATOM 1742 C GLN A 112 5.755 -13.633 5.107 1.00 0.00 C ATOM 1743 O GLN A 112 5.432 -14.507 5.911 1.00 0.00 O ATOM 1744 CB GLN A 112 5.648 -11.142 5.307 1.00 0.00 C ATOM 1745 CG GLN A 112 6.203 -9.879 5.946 1.00 0.00 C ATOM 1746 CD GLN A 112 6.315 -9.989 7.454 1.00 0.00 C ATOM 1747 OE1 GLN A 112 5.308 -10.033 8.161 1.00 0.00 O ATOM 1748 NE2 GLN A 112 7.544 -10.035 7.955 1.00 0.00 N ATOM 0 H GLN A 112 7.856 -11.476 4.248 1.00 0.00 H new ATOM 0 HA GLN A 112 6.690 -12.471 6.636 1.00 0.00 H new ATOM 0 HB2 GLN A 112 5.563 -10.988 4.231 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.641 -11.318 5.685 1.00 0.00 H new ATOM 0 HG2 GLN A 112 7.186 -9.666 5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.560 -9.036 5.694 1.00 0.00 H new ATOM 0 HE21 GLN A 112 8.351 -9.996 7.332 1.00 0.00 H new ATOM 0 HE22 GLN A 112 7.681 -10.110 8.963 1.00 0.00 H new ATOM 1757 N SER A 113 5.485 -13.710 3.808 1.00 0.00 N ATOM 1758 CA SER A 113 4.773 -14.849 3.241 1.00 0.00 C ATOM 1759 C SER A 113 5.286 -16.159 3.833 1.00 0.00 C ATOM 1760 O SER A 113 4.509 -17.066 4.128 1.00 0.00 O ATOM 1761 CB SER A 113 4.927 -14.869 1.719 1.00 0.00 C ATOM 1762 OG SER A 113 6.126 -15.521 1.337 1.00 0.00 O ATOM 0 H SER A 113 5.749 -12.997 3.128 1.00 0.00 H new ATOM 0 HA SER A 113 3.717 -14.746 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.074 -15.378 1.271 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.927 -13.848 1.337 1.00 0.00 H new ATOM 0 HG SER A 113 6.895 -15.013 1.670 1.00 0.00 H new