USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 577 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: X 12 ASN : amide:sc= -0.792! C(o=0.041!,f=-4.2!) USER MOD Set 1.2: X 75 THR OG1 : rot -30:sc= 0.833 USER MOD Single : X 6 CYS SG : rot 180:sc= 0 USER MOD Single : X 8 THR OG1 : rot 180:sc= 0 USER MOD Single : X 10 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 LYS NZ :NH3+ -165:sc= -0.974! (180deg=-1.05!) USER MOD Single : X 15 TYR OH : rot 180:sc= 0 USER MOD Single : X 16 THR OG1 : rot 13:sc= 1.26 USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 SER OG : rot 180:sc= 0 USER MOD Single : X 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 24 LYS NZ :NH3+ -128:sc= 0.0026 (180deg=-0.295) USER MOD Single : X 25 SER OG : rot -86:sc= 1.2 USER MOD Single : X 26 SER OG : rot 80:sc= -2.71! USER MOD Single : X 32 LYS NZ :NH3+ 144:sc= 0.985 (180deg=-0.0578) USER MOD Single : X 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00884) USER MOD Single : X 34 THR OG1 : rot 71:sc= 1.21 USER MOD Single : X 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 38 THR OG1 : rot 180:sc= 0.0384 USER MOD Single : X 40 TYR OH : rot 180:sc= 0 USER MOD Single : X 42 TYR OH : rot 180:sc= 0 USER MOD Single : X 48 THR OG1 : rot 180:sc= 0 USER MOD Single : X 50 ASN : amide:sc= 0.0696 X(o=0.07,f=0) USER MOD Single : X 51 LYS NZ :NH3+ 168:sc= -0.0577 (180deg=-0.286) USER MOD Single : X 54 TYR OH : rot 180:sc= 0 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 56 ASN :FLIP amide:sc= -3.88! C(o=-5!,f=-3.9!) USER MOD Single : X 65 GLN : amide:sc= 0.658 K(o=0.66,f=-0.13) USER MOD Single : X 67 LYS NZ :NH3+ 150:sc= 2.42 (180deg=1.82) USER MOD Single : X 73 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : X 77 ASN :FLIP amide:sc= -1.65! C(o=-2.5!,f=-1.6!) USER MOD Single : X 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N ASP X 5 -9.133 4.621 -1.461 1.00 0.00 N ATOM 73 CA ASP X 5 -8.642 5.440 -2.580 1.00 0.00 C ATOM 74 C ASP X 5 -8.023 4.599 -3.693 1.00 0.00 C ATOM 75 O ASP X 5 -8.052 3.363 -3.653 1.00 0.00 O ATOM 76 CB ASP X 5 -7.648 6.469 -2.073 1.00 0.00 C ATOM 77 CG ASP X 5 -7.726 7.755 -2.836 1.00 0.00 C ATOM 78 OD1 ASP X 5 -7.303 7.813 -3.994 1.00 0.00 O ATOM 79 OD2 ASP X 5 -8.236 8.720 -2.273 1.00 0.00 O ATOM 0 HA ASP X 5 -9.503 5.949 -3.013 1.00 0.00 H new ATOM 0 HB2 ASP X 5 -7.836 6.663 -1.017 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -6.639 6.064 -2.148 1.00 0.00 H new ATOM 84 N CYS X 6 -7.451 5.246 -4.662 1.00 0.00 N ATOM 85 CA CYS X 6 -6.969 4.528 -5.814 1.00 0.00 C ATOM 86 C CYS X 6 -5.542 4.161 -5.666 1.00 0.00 C ATOM 87 O CYS X 6 -4.652 5.011 -5.719 1.00 0.00 O ATOM 88 CB CYS X 6 -7.092 5.300 -7.095 1.00 0.00 C ATOM 89 SG CYS X 6 -8.540 6.383 -7.228 1.00 0.00 S ATOM 0 H CYS X 6 -7.305 6.255 -4.685 1.00 0.00 H new ATOM 0 HA CYS X 6 -7.602 3.642 -5.867 1.00 0.00 H new ATOM 0 HB2 CYS X 6 -6.195 5.907 -7.219 1.00 0.00 H new ATOM 0 HB3 CYS X 6 -7.114 4.592 -7.923 1.00 0.00 H new ATOM 0 HG CYS X 6 -8.524 6.990 -8.377 1.00 0.00 H new ATOM 94 N TRP X 7 -5.303 2.927 -5.493 1.00 0.00 N ATOM 95 CA TRP X 7 -3.981 2.500 -5.405 1.00 0.00 C ATOM 96 C TRP X 7 -3.683 1.874 -6.718 1.00 0.00 C ATOM 97 O TRP X 7 -4.506 1.134 -7.262 1.00 0.00 O ATOM 98 CB TRP X 7 -3.751 1.540 -4.210 1.00 0.00 C ATOM 99 CG TRP X 7 -4.386 2.006 -2.929 1.00 0.00 C ATOM 100 CD1 TRP X 7 -4.941 3.218 -2.679 1.00 0.00 C ATOM 101 CD2 TRP X 7 -4.511 1.269 -1.737 1.00 0.00 C ATOM 102 NE1 TRP X 7 -5.482 3.256 -1.464 1.00 0.00 N ATOM 103 CE2 TRP X 7 -5.189 2.079 -0.820 1.00 0.00 C ATOM 104 CE3 TRP X 7 -4.124 0.003 -1.357 1.00 0.00 C ATOM 105 CZ2 TRP X 7 -5.480 1.642 0.459 1.00 0.00 C ATOM 106 CZ3 TRP X 7 -4.405 -0.425 -0.096 1.00 0.00 C ATOM 107 CH2 TRP X 7 -5.069 0.393 0.796 1.00 0.00 C ATOM 0 H TRP X 7 -6.009 2.196 -5.410 1.00 0.00 H new ATOM 0 HA TRP X 7 -3.303 3.329 -5.206 1.00 0.00 H new ATOM 0 HB2 TRP X 7 -4.146 0.557 -4.464 1.00 0.00 H new ATOM 0 HB3 TRP X 7 -2.679 1.422 -4.052 1.00 0.00 H new ATOM 0 HD1 TRP X 7 -4.943 4.044 -3.375 1.00 0.00 H new ATOM 0 HE1 TRP X 7 -6.023 4.029 -1.076 1.00 0.00 H new ATOM 0 HE3 TRP X 7 -3.604 -0.642 -2.051 1.00 0.00 H new ATOM 0 HZ2 TRP X 7 -6.012 2.268 1.160 1.00 0.00 H new ATOM 0 HZ3 TRP X 7 -4.105 -1.416 0.210 1.00 0.00 H new ATOM 0 HH2 TRP X 7 -5.268 0.028 1.793 1.00 0.00 H new ATOM 118 N THR X 8 -2.572 2.173 -7.232 1.00 0.00 N ATOM 119 CA THR X 8 -2.214 1.716 -8.516 1.00 0.00 C ATOM 120 C THR X 8 -1.291 0.556 -8.342 1.00 0.00 C ATOM 121 O THR X 8 -0.323 0.606 -7.556 1.00 0.00 O ATOM 122 CB THR X 8 -1.549 2.869 -9.286 1.00 0.00 C ATOM 123 OG1 THR X 8 -2.493 3.955 -9.360 1.00 0.00 O ATOM 124 CG2 THR X 8 -1.142 2.453 -10.694 1.00 0.00 C ATOM 0 H THR X 8 -1.866 2.751 -6.775 1.00 0.00 H new ATOM 0 HA THR X 8 -3.082 1.392 -9.090 1.00 0.00 H new ATOM 0 HB THR X 8 -0.641 3.167 -8.761 1.00 0.00 H new ATOM 0 HG1 THR X 8 -2.091 4.705 -9.846 1.00 0.00 H new ATOM 0 HG21 THR X 8 -0.676 3.297 -11.203 1.00 0.00 H new ATOM 0 HG22 THR X 8 -0.433 1.627 -10.639 1.00 0.00 H new ATOM 0 HG23 THR X 8 -2.025 2.137 -11.250 1.00 0.00 H new ATOM 132 N PHE X 9 -1.627 -0.504 -9.001 1.00 0.00 N ATOM 133 CA PHE X 9 -0.964 -1.716 -8.803 1.00 0.00 C ATOM 134 C PHE X 9 0.210 -1.834 -9.705 1.00 0.00 C ATOM 135 O PHE X 9 0.097 -1.647 -10.912 1.00 0.00 O ATOM 136 CB PHE X 9 -1.901 -2.895 -9.014 1.00 0.00 C ATOM 137 CG PHE X 9 -1.426 -4.035 -8.238 1.00 0.00 C ATOM 138 CD1 PHE X 9 -1.458 -3.928 -6.902 1.00 0.00 C ATOM 139 CD2 PHE X 9 -0.904 -5.167 -8.812 1.00 0.00 C ATOM 140 CE1 PHE X 9 -0.986 -4.898 -6.102 1.00 0.00 C ATOM 141 CE2 PHE X 9 -0.427 -6.177 -8.007 1.00 0.00 C ATOM 142 CZ PHE X 9 -0.466 -6.030 -6.638 1.00 0.00 C ATOM 0 H PHE X 9 -2.376 -0.536 -9.692 1.00 0.00 H new ATOM 0 HA PHE X 9 -0.614 -1.732 -7.771 1.00 0.00 H new ATOM 0 HB2 PHE X 9 -2.913 -2.629 -8.708 1.00 0.00 H new ATOM 0 HB3 PHE X 9 -1.945 -3.154 -10.072 1.00 0.00 H new ATOM 0 HD1 PHE X 9 -1.875 -3.037 -6.457 1.00 0.00 H new ATOM 0 HD2 PHE X 9 -0.868 -5.265 -9.887 1.00 0.00 H new ATOM 0 HE1 PHE X 9 -1.021 -4.776 -5.029 1.00 0.00 H new ATOM 0 HE2 PHE X 9 -0.025 -7.078 -8.446 1.00 0.00 H new ATOM 0 HZ PHE X 9 -0.085 -6.811 -5.996 1.00 0.00 H new ATOM 152 N TYR X 10 1.346 -2.111 -9.130 1.00 0.00 N ATOM 153 CA TYR X 10 2.495 -2.331 -9.930 1.00 0.00 C ATOM 154 C TYR X 10 2.597 -3.824 -10.219 1.00 0.00 C ATOM 155 O TYR X 10 2.537 -4.231 -11.374 1.00 0.00 O ATOM 156 CB TYR X 10 3.780 -1.774 -9.276 1.00 0.00 C ATOM 157 CG TYR X 10 4.952 -1.714 -10.241 1.00 0.00 C ATOM 158 CD1 TYR X 10 5.021 -0.716 -11.210 1.00 0.00 C ATOM 159 CD2 TYR X 10 5.969 -2.656 -10.208 1.00 0.00 C ATOM 160 CE1 TYR X 10 6.059 -0.669 -12.116 1.00 0.00 C ATOM 161 CE2 TYR X 10 7.016 -2.607 -11.106 1.00 0.00 C ATOM 162 CZ TYR X 10 7.053 -1.615 -12.059 1.00 0.00 C ATOM 163 OH TYR X 10 8.081 -1.586 -12.979 1.00 0.00 O ATOM 0 H TYR X 10 1.491 -2.187 -8.123 1.00 0.00 H new ATOM 0 HA TYR X 10 2.392 -1.786 -10.868 1.00 0.00 H new ATOM 0 HB2 TYR X 10 3.582 -0.774 -8.889 1.00 0.00 H new ATOM 0 HB3 TYR X 10 4.048 -2.398 -8.424 1.00 0.00 H new ATOM 0 HD1 TYR X 10 4.246 0.035 -11.252 1.00 0.00 H new ATOM 0 HD2 TYR X 10 5.941 -3.441 -9.467 1.00 0.00 H new ATOM 0 HE1 TYR X 10 6.090 0.107 -12.866 1.00 0.00 H new ATOM 0 HE2 TYR X 10 7.804 -3.345 -11.061 1.00 0.00 H new ATOM 0 HH TYR X 10 8.702 -2.323 -12.799 1.00 0.00 H new ATOM 173 N ALA X 11 2.705 -4.631 -9.150 1.00 0.00 N ATOM 174 CA ALA X 11 2.820 -6.080 -9.242 1.00 0.00 C ATOM 175 C ALA X 11 2.899 -6.611 -7.830 1.00 0.00 C ATOM 176 O ALA X 11 3.118 -5.817 -6.899 1.00 0.00 O ATOM 177 CB ALA X 11 4.049 -6.500 -10.048 1.00 0.00 C ATOM 0 H ALA X 11 2.714 -4.283 -8.191 1.00 0.00 H new ATOM 0 HA ALA X 11 1.956 -6.490 -9.765 1.00 0.00 H new ATOM 0 HB1 ALA X 11 4.100 -7.588 -10.094 1.00 0.00 H new ATOM 0 HB2 ALA X 11 3.977 -6.097 -11.058 1.00 0.00 H new ATOM 0 HB3 ALA X 11 4.948 -6.115 -9.567 1.00 0.00 H new ATOM 183 N ASN X 12 2.667 -7.887 -7.621 1.00 0.00 N ATOM 184 CA ASN X 12 2.838 -8.423 -6.285 1.00 0.00 C ATOM 185 C ASN X 12 4.305 -8.723 -6.123 1.00 0.00 C ATOM 186 O ASN X 12 4.893 -9.498 -6.869 1.00 0.00 O ATOM 187 CB ASN X 12 2.021 -9.708 -6.119 1.00 0.00 C ATOM 188 CG ASN X 12 0.517 -9.493 -5.917 1.00 0.00 C ATOM 189 OD1 ASN X 12 0.020 -9.463 -4.803 1.00 0.00 O ATOM 190 ND2 ASN X 12 -0.192 -9.284 -6.958 1.00 0.00 N ATOM 0 H ASN X 12 2.369 -8.556 -8.331 1.00 0.00 H new ATOM 0 HA ASN X 12 2.495 -7.712 -5.534 1.00 0.00 H new ATOM 0 HB2 ASN X 12 2.169 -10.332 -7.000 1.00 0.00 H new ATOM 0 HB3 ASN X 12 2.412 -10.263 -5.266 1.00 0.00 H new ATOM 0 HD21 ASN X 12 -1.189 -9.088 -6.865 1.00 0.00 H new ATOM 0 HD22 ASN X 12 0.238 -9.313 -7.882 1.00 0.00 H new ATOM 197 N ARG X 13 4.887 -8.059 -5.177 1.00 0.00 N ATOM 198 CA ARG X 13 6.316 -8.086 -4.948 1.00 0.00 C ATOM 199 C ARG X 13 6.614 -7.717 -3.510 1.00 0.00 C ATOM 200 O ARG X 13 5.697 -7.283 -2.827 1.00 0.00 O ATOM 201 CB ARG X 13 7.002 -7.140 -5.944 1.00 0.00 C ATOM 202 CG ARG X 13 6.444 -5.732 -5.908 1.00 0.00 C ATOM 203 CD ARG X 13 6.375 -5.115 -7.293 1.00 0.00 C ATOM 204 NE ARG X 13 7.679 -4.850 -7.889 1.00 0.00 N ATOM 205 CZ ARG X 13 8.134 -5.371 -9.046 1.00 0.00 C ATOM 206 NH1 ARG X 13 7.522 -6.395 -9.625 1.00 0.00 N ATOM 207 NH2 ARG X 13 9.226 -4.871 -9.595 1.00 0.00 N ATOM 0 H ARG X 13 4.380 -7.465 -4.521 1.00 0.00 H new ATOM 0 HA ARG X 13 6.709 -9.090 -5.111 1.00 0.00 H new ATOM 0 HB2 ARG X 13 8.070 -7.107 -5.728 1.00 0.00 H new ATOM 0 HB3 ARG X 13 6.893 -7.542 -6.951 1.00 0.00 H new ATOM 0 HG2 ARG X 13 5.447 -5.748 -5.468 1.00 0.00 H new ATOM 0 HG3 ARG X 13 7.067 -5.111 -5.264 1.00 0.00 H new ATOM 0 HD2 ARG X 13 5.816 -5.782 -7.949 1.00 0.00 H new ATOM 0 HD3 ARG X 13 5.816 -4.181 -7.236 1.00 0.00 H new ATOM 0 HE ARG X 13 8.301 -4.216 -7.387 1.00 0.00 H new ATOM 0 HH11 ARG X 13 6.692 -6.802 -9.195 1.00 0.00 H new ATOM 0 HH12 ARG X 13 7.882 -6.775 -10.500 1.00 0.00 H new ATOM 0 HH21 ARG X 13 9.716 -4.099 -9.144 1.00 0.00 H new ATOM 0 HH22 ARG X 13 9.580 -5.257 -10.470 1.00 0.00 H new ATOM 221 N LYS X 14 7.847 -7.964 -3.047 1.00 0.00 N ATOM 222 CA LYS X 14 8.402 -7.393 -1.790 1.00 0.00 C ATOM 223 C LYS X 14 9.923 -7.466 -1.772 1.00 0.00 C ATOM 224 O LYS X 14 10.514 -8.472 -2.104 1.00 0.00 O ATOM 225 CB LYS X 14 7.829 -7.929 -0.502 1.00 0.00 C ATOM 226 CG LYS X 14 7.342 -6.837 0.483 1.00 0.00 C ATOM 227 CD LYS X 14 5.970 -6.392 0.094 1.00 0.00 C ATOM 228 CE LYS X 14 6.043 -5.209 -0.803 1.00 0.00 C ATOM 229 NZ LYS X 14 4.837 -5.026 -1.581 1.00 0.00 N ATOM 0 H LYS X 14 8.504 -8.573 -3.534 1.00 0.00 H new ATOM 0 HA LYS X 14 8.077 -6.353 -1.818 1.00 0.00 H new ATOM 0 HB2 LYS X 14 6.994 -8.589 -0.737 1.00 0.00 H new ATOM 0 HB3 LYS X 14 8.586 -8.537 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS X 14 7.334 -7.227 1.501 1.00 0.00 H new ATOM 0 HG3 LYS X 14 8.028 -5.990 0.472 1.00 0.00 H new ATOM 0 HD2 LYS X 14 5.446 -7.205 -0.408 1.00 0.00 H new ATOM 0 HD3 LYS X 14 5.395 -6.145 0.986 1.00 0.00 H new ATOM 0 HE2 LYS X 14 6.225 -4.315 -0.206 1.00 0.00 H new ATOM 0 HE3 LYS X 14 6.892 -5.320 -1.477 1.00 0.00 H new ATOM 0 HZ1 LYS X 14 5.023 -4.361 -2.359 1.00 0.00 H new ATOM 0 HZ2 LYS X 14 4.534 -5.941 -1.972 1.00 0.00 H new ATOM 0 HZ3 LYS X 14 4.085 -4.644 -0.972 1.00 0.00 H new ATOM 243 N TYR X 15 10.526 -6.392 -1.322 1.00 0.00 N ATOM 244 CA TYR X 15 11.972 -6.154 -1.381 1.00 0.00 C ATOM 245 C TYR X 15 12.733 -6.975 -0.326 1.00 0.00 C ATOM 246 O TYR X 15 13.938 -6.834 -0.185 1.00 0.00 O ATOM 247 CB TYR X 15 12.182 -4.633 -1.160 1.00 0.00 C ATOM 248 CG TYR X 15 13.579 -4.080 -1.363 1.00 0.00 C ATOM 249 CD1 TYR X 15 14.006 -3.678 -2.616 1.00 0.00 C ATOM 250 CD2 TYR X 15 14.453 -3.932 -0.294 1.00 0.00 C ATOM 251 CE1 TYR X 15 15.265 -3.145 -2.804 1.00 0.00 C ATOM 252 CE2 TYR X 15 15.716 -3.407 -0.473 1.00 0.00 C ATOM 253 CZ TYR X 15 16.116 -3.013 -1.730 1.00 0.00 C ATOM 254 OH TYR X 15 17.373 -2.474 -1.914 1.00 0.00 O ATOM 0 H TYR X 15 10.016 -5.624 -0.886 1.00 0.00 H new ATOM 0 HA TYR X 15 12.367 -6.470 -2.346 1.00 0.00 H new ATOM 0 HB2 TYR X 15 11.509 -4.100 -1.832 1.00 0.00 H new ATOM 0 HB3 TYR X 15 11.871 -4.395 -0.143 1.00 0.00 H new ATOM 0 HD1 TYR X 15 13.343 -3.783 -3.462 1.00 0.00 H new ATOM 0 HD2 TYR X 15 14.139 -4.233 0.694 1.00 0.00 H new ATOM 0 HE1 TYR X 15 15.581 -2.833 -3.789 1.00 0.00 H new ATOM 0 HE2 TYR X 15 16.387 -3.306 0.367 1.00 0.00 H new ATOM 0 HH TYR X 15 17.847 -2.449 -1.057 1.00 0.00 H new ATOM 264 N THR X 16 12.035 -7.865 0.343 1.00 0.00 N ATOM 265 CA THR X 16 12.554 -8.640 1.455 1.00 0.00 C ATOM 266 C THR X 16 13.051 -7.711 2.563 1.00 0.00 C ATOM 267 O THR X 16 14.245 -7.670 2.896 1.00 0.00 O ATOM 268 CB THR X 16 13.592 -9.776 1.051 1.00 0.00 C ATOM 269 OG1 THR X 16 14.708 -9.254 0.302 1.00 0.00 O ATOM 270 CG2 THR X 16 12.903 -10.846 0.213 1.00 0.00 C ATOM 0 H THR X 16 11.062 -8.078 0.124 1.00 0.00 H new ATOM 0 HA THR X 16 11.719 -9.216 1.853 1.00 0.00 H new ATOM 0 HB THR X 16 13.969 -10.202 1.981 1.00 0.00 H new ATOM 0 HG1 THR X 16 14.717 -8.276 0.367 1.00 0.00 H new ATOM 0 HG21 THR X 16 13.624 -11.617 -0.057 1.00 0.00 H new ATOM 0 HG22 THR X 16 12.092 -11.293 0.788 1.00 0.00 H new ATOM 0 HG23 THR X 16 12.499 -10.394 -0.693 1.00 0.00 H new ATOM 278 N ASP X 17 12.114 -6.892 3.050 1.00 0.00 N ATOM 279 CA ASP X 17 12.369 -5.875 4.067 1.00 0.00 C ATOM 280 C ASP X 17 11.057 -5.227 4.480 1.00 0.00 C ATOM 281 O ASP X 17 10.243 -4.871 3.627 1.00 0.00 O ATOM 282 CB ASP X 17 13.291 -4.767 3.518 1.00 0.00 C ATOM 283 CG ASP X 17 13.646 -3.718 4.562 1.00 0.00 C ATOM 284 OD1 ASP X 17 12.824 -2.840 4.856 1.00 0.00 O ATOM 285 OD2 ASP X 17 14.781 -3.767 5.094 1.00 0.00 O ATOM 0 H ASP X 17 11.142 -6.920 2.742 1.00 0.00 H new ATOM 0 HA ASP X 17 12.847 -6.363 4.916 1.00 0.00 H new ATOM 0 HB2 ASP X 17 14.207 -5.219 3.139 1.00 0.00 H new ATOM 0 HB3 ASP X 17 12.803 -4.281 2.674 1.00 0.00 H new ATOM 290 N PHE X 18 10.841 -5.122 5.770 1.00 0.00 N ATOM 291 CA PHE X 18 9.704 -4.399 6.324 1.00 0.00 C ATOM 292 C PHE X 18 10.193 -3.416 7.376 1.00 0.00 C ATOM 293 O PHE X 18 9.434 -2.944 8.228 1.00 0.00 O ATOM 294 CB PHE X 18 8.656 -5.356 6.917 1.00 0.00 C ATOM 295 CG PHE X 18 7.884 -6.121 5.882 1.00 0.00 C ATOM 296 CD1 PHE X 18 7.028 -5.451 5.035 1.00 0.00 C ATOM 297 CD2 PHE X 18 8.015 -7.491 5.747 1.00 0.00 C ATOM 298 CE1 PHE X 18 6.314 -6.114 4.076 1.00 0.00 C ATOM 299 CE2 PHE X 18 7.297 -8.166 4.782 1.00 0.00 C ATOM 300 CZ PHE X 18 6.444 -7.468 3.946 1.00 0.00 C ATOM 0 H PHE X 18 11.450 -5.536 6.476 1.00 0.00 H new ATOM 0 HA PHE X 18 9.217 -3.852 5.517 1.00 0.00 H new ATOM 0 HB2 PHE X 18 9.156 -6.062 7.580 1.00 0.00 H new ATOM 0 HB3 PHE X 18 7.958 -4.783 7.528 1.00 0.00 H new ATOM 0 HD1 PHE X 18 6.919 -4.381 5.131 1.00 0.00 H new ATOM 0 HD2 PHE X 18 8.682 -8.035 6.400 1.00 0.00 H new ATOM 0 HE1 PHE X 18 5.649 -5.569 3.423 1.00 0.00 H new ATOM 0 HE2 PHE X 18 7.400 -9.236 4.679 1.00 0.00 H new ATOM 0 HZ PHE X 18 5.880 -7.994 3.190 1.00 0.00 H new ATOM 310 N ASP X 19 11.453 -3.049 7.252 1.00 0.00 N ATOM 311 CA ASP X 19 12.140 -2.171 8.206 1.00 0.00 C ATOM 312 C ASP X 19 11.753 -0.722 7.959 1.00 0.00 C ATOM 313 O ASP X 19 11.871 0.132 8.832 1.00 0.00 O ATOM 314 CB ASP X 19 13.651 -2.341 8.089 1.00 0.00 C ATOM 315 CG ASP X 19 14.421 -1.595 9.154 1.00 0.00 C ATOM 316 OD1 ASP X 19 14.765 -0.415 8.958 1.00 0.00 O ATOM 317 OD2 ASP X 19 14.713 -2.201 10.211 1.00 0.00 O ATOM 0 H ASP X 19 12.045 -3.351 6.478 1.00 0.00 H new ATOM 0 HA ASP X 19 11.836 -2.447 9.216 1.00 0.00 H new ATOM 0 HB2 ASP X 19 13.896 -3.401 8.149 1.00 0.00 H new ATOM 0 HB3 ASP X 19 13.974 -1.994 7.107 1.00 0.00 H new ATOM 322 N LYS X 20 11.246 -0.485 6.762 1.00 0.00 N ATOM 323 CA LYS X 20 10.860 0.841 6.229 1.00 0.00 C ATOM 324 C LYS X 20 9.788 1.586 7.065 1.00 0.00 C ATOM 325 O LYS X 20 9.408 2.688 6.703 1.00 0.00 O ATOM 326 CB LYS X 20 10.356 0.685 4.789 1.00 0.00 C ATOM 327 CG LYS X 20 11.342 0.022 3.840 1.00 0.00 C ATOM 328 CD LYS X 20 12.616 0.832 3.697 1.00 0.00 C ATOM 329 CE LYS X 20 13.605 0.146 2.778 1.00 0.00 C ATOM 330 NZ LYS X 20 14.829 0.942 2.603 1.00 0.00 N ATOM 0 H LYS X 20 11.078 -1.236 6.092 1.00 0.00 H new ATOM 0 HA LYS X 20 11.760 1.454 6.276 1.00 0.00 H new ATOM 0 HB2 LYS X 20 9.436 0.101 4.802 1.00 0.00 H new ATOM 0 HB3 LYS X 20 10.103 1.670 4.398 1.00 0.00 H new ATOM 0 HG2 LYS X 20 11.585 -0.976 4.206 1.00 0.00 H new ATOM 0 HG3 LYS X 20 10.878 -0.102 2.862 1.00 0.00 H new ATOM 0 HD2 LYS X 20 12.378 1.821 3.305 1.00 0.00 H new ATOM 0 HD3 LYS X 20 13.069 0.978 4.678 1.00 0.00 H new ATOM 0 HE2 LYS X 20 13.862 -0.832 3.185 1.00 0.00 H new ATOM 0 HE3 LYS X 20 13.141 -0.025 1.807 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 15.482 0.440 1.968 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 14.587 1.866 2.191 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 15.286 1.084 3.526 1.00 0.00 H new ATOM 344 N SER X 21 9.305 0.956 8.137 1.00 0.00 N ATOM 345 CA SER X 21 8.315 1.504 9.062 1.00 0.00 C ATOM 346 C SER X 21 6.894 1.468 8.521 1.00 0.00 C ATOM 347 O SER X 21 6.388 2.409 7.851 1.00 0.00 O ATOM 348 CB SER X 21 8.702 2.870 9.616 1.00 0.00 C ATOM 349 OG SER X 21 9.936 2.796 10.322 1.00 0.00 O ATOM 0 H SER X 21 9.604 0.015 8.393 1.00 0.00 H new ATOM 0 HA SER X 21 8.319 0.825 9.915 1.00 0.00 H new ATOM 0 HB2 SER X 21 8.787 3.588 8.800 1.00 0.00 H new ATOM 0 HB3 SER X 21 7.918 3.234 10.281 1.00 0.00 H new ATOM 0 HG SER X 21 10.168 3.683 10.668 1.00 0.00 H new ATOM 355 N PHE X 22 6.265 0.356 8.782 1.00 0.00 N ATOM 356 CA PHE X 22 4.919 0.100 8.366 1.00 0.00 C ATOM 357 C PHE X 22 4.150 -0.295 9.571 1.00 0.00 C ATOM 358 O PHE X 22 4.726 -0.836 10.523 1.00 0.00 O ATOM 359 CB PHE X 22 4.867 -1.081 7.401 1.00 0.00 C ATOM 360 CG PHE X 22 5.683 -0.922 6.173 1.00 0.00 C ATOM 361 CD1 PHE X 22 5.952 0.319 5.668 1.00 0.00 C ATOM 362 CD2 PHE X 22 6.136 -2.016 5.510 1.00 0.00 C ATOM 363 CE1 PHE X 22 6.656 0.485 4.535 1.00 0.00 C ATOM 364 CE2 PHE X 22 6.863 -1.881 4.361 1.00 0.00 C ATOM 365 CZ PHE X 22 7.126 -0.627 3.862 1.00 0.00 C ATOM 0 H PHE X 22 6.686 -0.414 9.302 1.00 0.00 H new ATOM 0 HA PHE X 22 4.519 0.990 7.880 1.00 0.00 H new ATOM 0 HB2 PHE X 22 5.200 -1.976 7.927 1.00 0.00 H new ATOM 0 HB3 PHE X 22 3.830 -1.249 7.111 1.00 0.00 H new ATOM 0 HD1 PHE X 22 5.589 1.190 6.193 1.00 0.00 H new ATOM 0 HD2 PHE X 22 5.920 -3.002 5.894 1.00 0.00 H new ATOM 0 HE1 PHE X 22 6.852 1.477 4.155 1.00 0.00 H new ATOM 0 HE2 PHE X 22 7.230 -2.757 3.846 1.00 0.00 H new ATOM 0 HZ PHE X 22 7.695 -0.512 2.951 1.00 0.00 H new ATOM 375 N LYS X 23 2.890 -0.065 9.557 1.00 0.00 N ATOM 376 CA LYS X 23 2.068 -0.483 10.653 1.00 0.00 C ATOM 377 C LYS X 23 1.125 -1.551 10.167 1.00 0.00 C ATOM 378 O LYS X 23 0.640 -1.480 9.028 1.00 0.00 O ATOM 379 CB LYS X 23 1.329 0.695 11.296 1.00 0.00 C ATOM 380 CG LYS X 23 2.248 1.760 11.903 1.00 0.00 C ATOM 381 CD LYS X 23 3.165 1.161 12.964 1.00 0.00 C ATOM 382 CE LYS X 23 4.082 2.199 13.581 1.00 0.00 C ATOM 383 NZ LYS X 23 5.027 1.589 14.542 1.00 0.00 N ATOM 0 H LYS X 23 2.395 0.410 8.802 1.00 0.00 H new ATOM 0 HA LYS X 23 2.698 -0.897 11.440 1.00 0.00 H new ATOM 0 HB2 LYS X 23 0.695 1.165 10.544 1.00 0.00 H new ATOM 0 HB3 LYS X 23 0.670 0.313 12.076 1.00 0.00 H new ATOM 0 HG2 LYS X 23 2.848 2.217 11.116 1.00 0.00 H new ATOM 0 HG3 LYS X 23 1.646 2.554 12.346 1.00 0.00 H new ATOM 0 HD2 LYS X 23 2.561 0.701 13.746 1.00 0.00 H new ATOM 0 HD3 LYS X 23 3.765 0.368 12.517 1.00 0.00 H new ATOM 0 HE2 LYS X 23 4.640 2.706 12.794 1.00 0.00 H new ATOM 0 HE3 LYS X 23 3.485 2.957 14.088 1.00 0.00 H new ATOM 0 HZ1 LYS X 23 5.638 2.328 14.944 1.00 0.00 H new ATOM 0 HZ2 LYS X 23 4.495 1.126 15.306 1.00 0.00 H new ATOM 0 HZ3 LYS X 23 5.613 0.883 14.052 1.00 0.00 H new ATOM 397 N LYS X 24 0.902 -2.543 10.990 1.00 0.00 N ATOM 398 CA LYS X 24 0.097 -3.673 10.623 1.00 0.00 C ATOM 399 C LYS X 24 -1.027 -3.933 11.600 1.00 0.00 C ATOM 400 O LYS X 24 -0.814 -4.153 12.799 1.00 0.00 O ATOM 401 CB LYS X 24 0.982 -4.933 10.475 1.00 0.00 C ATOM 402 CG LYS X 24 0.247 -6.265 10.550 1.00 0.00 C ATOM 403 CD LYS X 24 1.223 -7.425 10.569 1.00 0.00 C ATOM 404 CE LYS X 24 0.516 -8.753 10.753 1.00 0.00 C ATOM 405 NZ LYS X 24 -0.209 -8.827 12.041 1.00 0.00 N ATOM 0 H LYS X 24 1.277 -2.587 11.938 1.00 0.00 H new ATOM 0 HA LYS X 24 -0.366 -3.436 9.665 1.00 0.00 H new ATOM 0 HB2 LYS X 24 1.503 -4.879 9.519 1.00 0.00 H new ATOM 0 HB3 LYS X 24 1.744 -4.914 11.255 1.00 0.00 H new ATOM 0 HG2 LYS X 24 -0.373 -6.292 11.446 1.00 0.00 H new ATOM 0 HG3 LYS X 24 -0.423 -6.363 9.696 1.00 0.00 H new ATOM 0 HD2 LYS X 24 1.788 -7.440 9.637 1.00 0.00 H new ATOM 0 HD3 LYS X 24 1.942 -7.282 11.375 1.00 0.00 H new ATOM 0 HE2 LYS X 24 -0.186 -8.905 9.933 1.00 0.00 H new ATOM 0 HE3 LYS X 24 1.246 -9.561 10.702 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 0.069 -9.692 12.547 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 0.027 -7.996 12.621 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 -1.233 -8.844 11.862 1.00 0.00 H new ATOM 419 N SER X 25 -2.194 -3.842 11.077 1.00 0.00 N ATOM 420 CA SER X 25 -3.409 -4.250 11.687 1.00 0.00 C ATOM 421 C SER X 25 -4.265 -4.554 10.496 1.00 0.00 C ATOM 422 O SER X 25 -4.256 -3.751 9.563 1.00 0.00 O ATOM 423 CB SER X 25 -4.016 -3.093 12.512 1.00 0.00 C ATOM 424 OG SER X 25 -5.199 -3.495 13.212 1.00 0.00 O ATOM 0 H SER X 25 -2.337 -3.453 10.145 1.00 0.00 H new ATOM 0 HA SER X 25 -3.300 -5.085 12.379 1.00 0.00 H new ATOM 0 HB2 SER X 25 -3.277 -2.731 13.227 1.00 0.00 H new ATOM 0 HB3 SER X 25 -4.252 -2.261 11.849 1.00 0.00 H new ATOM 0 HG SER X 25 -5.976 -3.401 12.622 1.00 0.00 H new ATOM 430 N SER X 26 -4.945 -5.663 10.428 1.00 0.00 N ATOM 431 CA SER X 26 -5.729 -5.845 9.254 1.00 0.00 C ATOM 432 C SER X 26 -7.103 -5.240 9.491 1.00 0.00 C ATOM 433 O SER X 26 -7.964 -5.815 10.167 1.00 0.00 O ATOM 434 CB SER X 26 -5.801 -7.336 8.931 1.00 0.00 C ATOM 435 OG SER X 26 -4.491 -7.887 8.935 1.00 0.00 O ATOM 0 H SER X 26 -4.972 -6.407 11.125 1.00 0.00 H new ATOM 0 HA SER X 26 -5.282 -5.343 8.396 1.00 0.00 H new ATOM 0 HB2 SER X 26 -6.424 -7.848 9.664 1.00 0.00 H new ATOM 0 HB3 SER X 26 -6.267 -7.486 7.957 1.00 0.00 H new ATOM 0 HG SER X 26 -4.210 -8.056 9.858 1.00 0.00 H new ATOM 441 N ASP X 27 -7.237 -4.030 9.000 1.00 0.00 N ATOM 442 CA ASP X 27 -8.453 -3.260 9.002 1.00 0.00 C ATOM 443 C ASP X 27 -8.656 -2.699 7.665 1.00 0.00 C ATOM 444 O ASP X 27 -7.929 -1.798 7.283 1.00 0.00 O ATOM 445 CB ASP X 27 -8.404 -2.140 10.014 1.00 0.00 C ATOM 446 CG ASP X 27 -8.331 -2.619 11.441 1.00 0.00 C ATOM 447 OD1 ASP X 27 -9.328 -3.182 11.933 1.00 0.00 O ATOM 448 OD2 ASP X 27 -7.312 -2.390 12.118 1.00 0.00 O ATOM 0 H ASP X 27 -6.459 -3.533 8.567 1.00 0.00 H new ATOM 0 HA ASP X 27 -9.278 -3.918 9.275 1.00 0.00 H new ATOM 0 HB2 ASP X 27 -7.538 -1.511 9.806 1.00 0.00 H new ATOM 0 HB3 ASP X 27 -9.289 -1.514 9.894 1.00 0.00 H new ATOM 453 N LEU X 28 -9.603 -3.175 6.935 1.00 0.00 N ATOM 454 CA LEU X 28 -9.812 -2.637 5.615 1.00 0.00 C ATOM 455 C LEU X 28 -10.246 -1.171 5.745 1.00 0.00 C ATOM 456 O LEU X 28 -9.690 -0.306 5.092 1.00 0.00 O ATOM 457 CB LEU X 28 -10.832 -3.510 4.831 1.00 0.00 C ATOM 458 CG LEU X 28 -10.977 -3.289 3.296 1.00 0.00 C ATOM 459 CD1 LEU X 28 -11.793 -4.414 2.690 1.00 0.00 C ATOM 460 CD2 LEU X 28 -11.648 -1.959 2.964 1.00 0.00 C ATOM 0 H LEU X 28 -10.240 -3.922 7.212 1.00 0.00 H new ATOM 0 HA LEU X 28 -8.888 -2.661 5.037 1.00 0.00 H new ATOM 0 HB2 LEU X 28 -10.566 -4.555 4.991 1.00 0.00 H new ATOM 0 HB3 LEU X 28 -11.813 -3.358 5.281 1.00 0.00 H new ATOM 0 HG LEU X 28 -9.971 -3.275 2.877 1.00 0.00 H new ATOM 0 HD11 LEU X 28 -11.891 -4.255 1.616 1.00 0.00 H new ATOM 0 HD12 LEU X 28 -11.292 -5.365 2.871 1.00 0.00 H new ATOM 0 HD13 LEU X 28 -12.783 -4.432 3.146 1.00 0.00 H new ATOM 0 HD21 LEU X 28 -11.726 -1.851 1.882 1.00 0.00 H new ATOM 0 HD22 LEU X 28 -12.645 -1.934 3.404 1.00 0.00 H new ATOM 0 HD23 LEU X 28 -11.053 -1.140 3.368 1.00 0.00 H new ATOM 472 N ASP X 29 -11.201 -0.897 6.613 1.00 0.00 N ATOM 473 CA ASP X 29 -11.639 0.484 6.826 1.00 0.00 C ATOM 474 C ASP X 29 -10.507 1.315 7.384 1.00 0.00 C ATOM 475 O ASP X 29 -10.130 2.361 6.835 1.00 0.00 O ATOM 476 CB ASP X 29 -12.749 0.548 7.876 1.00 0.00 C ATOM 477 CG ASP X 29 -14.022 -0.173 7.510 1.00 0.00 C ATOM 478 OD1 ASP X 29 -14.121 -1.391 7.763 1.00 0.00 O ATOM 479 OD2 ASP X 29 -14.965 0.478 6.994 1.00 0.00 O ATOM 0 H ASP X 29 -11.686 -1.594 7.178 1.00 0.00 H new ATOM 0 HA ASP X 29 -11.981 0.857 5.860 1.00 0.00 H new ATOM 0 HB2 ASP X 29 -12.369 0.131 8.809 1.00 0.00 H new ATOM 0 HB3 ASP X 29 -12.986 1.595 8.068 1.00 0.00 H new ATOM 484 N GLU X 30 -9.928 0.800 8.454 1.00 0.00 N ATOM 485 CA GLU X 30 -8.913 1.508 9.187 1.00 0.00 C ATOM 486 C GLU X 30 -7.636 1.769 8.448 1.00 0.00 C ATOM 487 O GLU X 30 -7.102 2.840 8.521 1.00 0.00 O ATOM 488 CB GLU X 30 -8.779 1.111 10.657 1.00 0.00 C ATOM 489 CG GLU X 30 -10.044 1.440 11.452 1.00 0.00 C ATOM 490 CD GLU X 30 -10.000 0.992 12.888 1.00 0.00 C ATOM 491 OE1 GLU X 30 -9.513 1.736 13.752 1.00 0.00 O ATOM 492 OE2 GLU X 30 -10.472 -0.114 13.181 1.00 0.00 O ATOM 0 H GLU X 30 -10.153 -0.120 8.833 1.00 0.00 H new ATOM 0 HA GLU X 30 -9.322 2.516 9.259 1.00 0.00 H new ATOM 0 HB2 GLU X 30 -8.573 0.043 10.728 1.00 0.00 H new ATOM 0 HB3 GLU X 30 -7.928 1.630 11.097 1.00 0.00 H new ATOM 0 HG2 GLU X 30 -10.209 2.517 11.423 1.00 0.00 H new ATOM 0 HG3 GLU X 30 -10.899 0.974 10.963 1.00 0.00 H new ATOM 499 N CYS X 31 -7.157 0.799 7.724 1.00 0.00 N ATOM 500 CA CYS X 31 -5.897 0.972 6.980 1.00 0.00 C ATOM 501 C CYS X 31 -5.990 2.090 5.984 1.00 0.00 C ATOM 502 O CYS X 31 -5.108 2.950 5.913 1.00 0.00 O ATOM 503 CB CYS X 31 -5.460 -0.299 6.240 1.00 0.00 C ATOM 504 SG CYS X 31 -4.863 -1.681 7.238 1.00 0.00 S ATOM 0 H CYS X 31 -7.596 -0.116 7.619 1.00 0.00 H new ATOM 0 HA CYS X 31 -5.150 1.209 7.738 1.00 0.00 H new ATOM 0 HB2 CYS X 31 -6.305 -0.651 5.649 1.00 0.00 H new ATOM 0 HB3 CYS X 31 -4.672 -0.026 5.538 1.00 0.00 H new ATOM 509 N LYS X 32 -7.051 2.074 5.231 1.00 0.00 N ATOM 510 CA LYS X 32 -7.234 3.017 4.167 1.00 0.00 C ATOM 511 C LYS X 32 -7.329 4.366 4.760 1.00 0.00 C ATOM 512 O LYS X 32 -6.672 5.300 4.322 1.00 0.00 O ATOM 513 CB LYS X 32 -8.456 2.678 3.279 1.00 0.00 C ATOM 514 CG LYS X 32 -8.337 1.400 2.408 1.00 0.00 C ATOM 515 CD LYS X 32 -7.638 0.223 3.080 1.00 0.00 C ATOM 516 CE LYS X 32 -7.605 -1.000 2.150 1.00 0.00 C ATOM 517 NZ LYS X 32 -6.698 -2.091 2.612 1.00 0.00 N ATOM 0 H LYS X 32 -7.814 1.406 5.338 1.00 0.00 H new ATOM 0 HA LYS X 32 -6.377 2.974 3.494 1.00 0.00 H new ATOM 0 HB2 LYS X 32 -9.329 2.573 3.923 1.00 0.00 H new ATOM 0 HB3 LYS X 32 -8.646 3.525 2.620 1.00 0.00 H new ATOM 0 HG2 LYS X 32 -9.338 1.087 2.111 1.00 0.00 H new ATOM 0 HG3 LYS X 32 -7.797 1.650 1.495 1.00 0.00 H new ATOM 0 HD2 LYS X 32 -6.621 0.506 3.351 1.00 0.00 H new ATOM 0 HD3 LYS X 32 -8.155 -0.032 4.005 1.00 0.00 H new ATOM 0 HE2 LYS X 32 -8.615 -1.398 2.054 1.00 0.00 H new ATOM 0 HE3 LYS X 32 -7.293 -0.679 1.156 1.00 0.00 H new ATOM 0 HZ1 LYS X 32 -7.118 -3.014 2.380 1.00 0.00 H new ATOM 0 HZ2 LYS X 32 -5.777 -2.001 2.138 1.00 0.00 H new ATOM 0 HZ3 LYS X 32 -6.566 -2.020 3.641 1.00 0.00 H new ATOM 531 N LYS X 33 -8.100 4.426 5.827 1.00 0.00 N ATOM 532 CA LYS X 33 -8.329 5.631 6.529 1.00 0.00 C ATOM 533 C LYS X 33 -6.999 6.176 7.102 1.00 0.00 C ATOM 534 O LYS X 33 -6.729 7.371 6.985 1.00 0.00 O ATOM 535 CB LYS X 33 -9.413 5.446 7.609 1.00 0.00 C ATOM 536 CG LYS X 33 -8.883 5.213 8.989 1.00 0.00 C ATOM 537 CD LYS X 33 -9.989 5.003 10.037 1.00 0.00 C ATOM 538 CE LYS X 33 -11.036 6.123 10.064 1.00 0.00 C ATOM 539 NZ LYS X 33 -10.449 7.460 10.259 1.00 0.00 N ATOM 0 H LYS X 33 -8.582 3.618 6.220 1.00 0.00 H new ATOM 0 HA LYS X 33 -8.713 6.380 5.836 1.00 0.00 H new ATOM 0 HB2 LYS X 33 -10.049 6.331 7.623 1.00 0.00 H new ATOM 0 HB3 LYS X 33 -10.046 4.604 7.330 1.00 0.00 H new ATOM 0 HG2 LYS X 33 -8.232 4.339 8.978 1.00 0.00 H new ATOM 0 HG3 LYS X 33 -8.269 6.064 9.284 1.00 0.00 H new ATOM 0 HD2 LYS X 33 -10.489 4.055 9.839 1.00 0.00 H new ATOM 0 HD3 LYS X 33 -9.532 4.922 11.023 1.00 0.00 H new ATOM 0 HE2 LYS X 33 -11.595 6.112 9.129 1.00 0.00 H new ATOM 0 HE3 LYS X 33 -11.749 5.926 10.864 1.00 0.00 H new ATOM 0 HZ1 LYS X 33 -11.209 8.167 10.319 1.00 0.00 H new ATOM 0 HZ2 LYS X 33 -9.895 7.471 11.139 1.00 0.00 H new ATOM 0 HZ3 LYS X 33 -9.828 7.687 9.456 1.00 0.00 H new ATOM 553 N THR X 34 -6.164 5.273 7.705 1.00 0.00 N ATOM 554 CA THR X 34 -4.899 5.657 8.271 1.00 0.00 C ATOM 555 C THR X 34 -4.009 6.212 7.190 1.00 0.00 C ATOM 556 O THR X 34 -3.324 7.228 7.390 1.00 0.00 O ATOM 557 CB THR X 34 -4.207 4.504 9.039 1.00 0.00 C ATOM 558 OG1 THR X 34 -5.120 3.981 10.023 1.00 0.00 O ATOM 559 CG2 THR X 34 -2.974 5.023 9.766 1.00 0.00 C ATOM 0 H THR X 34 -6.376 4.279 7.794 1.00 0.00 H new ATOM 0 HA THR X 34 -5.090 6.432 9.013 1.00 0.00 H new ATOM 0 HB THR X 34 -3.917 3.731 8.328 1.00 0.00 H new ATOM 0 HG1 THR X 34 -5.841 3.493 9.573 1.00 0.00 H new ATOM 0 HG21 THR X 34 -2.496 4.203 10.302 1.00 0.00 H new ATOM 0 HG22 THR X 34 -2.274 5.440 9.042 1.00 0.00 H new ATOM 0 HG23 THR X 34 -3.268 5.797 10.474 1.00 0.00 H new ATOM 567 N CYS X 35 -4.016 5.549 6.036 1.00 0.00 N ATOM 568 CA CYS X 35 -3.248 6.050 4.937 1.00 0.00 C ATOM 569 C CYS X 35 -3.642 7.436 4.475 1.00 0.00 C ATOM 570 O CYS X 35 -2.777 8.289 4.272 1.00 0.00 O ATOM 571 CB CYS X 35 -2.972 5.058 3.818 1.00 0.00 C ATOM 572 SG CYS X 35 -1.421 4.131 4.044 1.00 0.00 S ATOM 0 H CYS X 35 -4.534 4.689 5.855 1.00 0.00 H new ATOM 0 HA CYS X 35 -2.260 6.189 5.376 1.00 0.00 H new ATOM 0 HB2 CYS X 35 -3.802 4.354 3.753 1.00 0.00 H new ATOM 0 HB3 CYS X 35 -2.933 5.593 2.869 1.00 0.00 H new ATOM 577 N PHE X 36 -4.931 7.700 4.402 1.00 0.00 N ATOM 578 CA PHE X 36 -5.388 9.016 3.979 1.00 0.00 C ATOM 579 C PHE X 36 -4.938 10.025 5.003 1.00 0.00 C ATOM 580 O PHE X 36 -4.605 11.166 4.664 1.00 0.00 O ATOM 581 CB PHE X 36 -6.918 9.108 3.886 1.00 0.00 C ATOM 582 CG PHE X 36 -7.591 8.037 3.096 1.00 0.00 C ATOM 583 CD1 PHE X 36 -6.960 7.426 2.026 1.00 0.00 C ATOM 584 CD2 PHE X 36 -8.866 7.633 3.437 1.00 0.00 C ATOM 585 CE1 PHE X 36 -7.590 6.435 1.324 1.00 0.00 C ATOM 586 CE2 PHE X 36 -9.498 6.644 2.732 1.00 0.00 C ATOM 587 CZ PHE X 36 -8.862 6.046 1.679 1.00 0.00 C ATOM 0 H PHE X 36 -5.673 7.036 4.625 1.00 0.00 H new ATOM 0 HA PHE X 36 -4.971 9.205 2.990 1.00 0.00 H new ATOM 0 HB2 PHE X 36 -7.325 9.096 4.897 1.00 0.00 H new ATOM 0 HB3 PHE X 36 -7.178 10.072 3.449 1.00 0.00 H new ATOM 0 HD1 PHE X 36 -5.964 7.734 1.744 1.00 0.00 H new ATOM 0 HD2 PHE X 36 -9.370 8.102 4.269 1.00 0.00 H new ATOM 0 HE1 PHE X 36 -7.091 5.959 0.493 1.00 0.00 H new ATOM 0 HE2 PHE X 36 -10.496 6.337 3.007 1.00 0.00 H new ATOM 0 HZ PHE X 36 -9.360 5.265 1.124 1.00 0.00 H new ATOM 597 N LYS X 37 -4.952 9.604 6.265 1.00 0.00 N ATOM 598 CA LYS X 37 -4.602 10.470 7.339 1.00 0.00 C ATOM 599 C LYS X 37 -3.188 11.077 7.339 1.00 0.00 C ATOM 600 O LYS X 37 -3.117 12.291 7.544 1.00 0.00 O ATOM 601 CB LYS X 37 -4.912 9.861 8.708 1.00 0.00 C ATOM 602 CG LYS X 37 -6.395 9.780 9.065 1.00 0.00 C ATOM 603 CD LYS X 37 -7.071 11.156 9.089 1.00 0.00 C ATOM 604 CE LYS X 37 -6.424 12.105 10.093 1.00 0.00 C ATOM 605 NZ LYS X 37 -7.036 13.444 10.062 1.00 0.00 N ATOM 0 H LYS X 37 -5.207 8.658 6.549 1.00 0.00 H new ATOM 0 HA LYS X 37 -5.256 11.320 7.144 1.00 0.00 H new ATOM 0 HB2 LYS X 37 -4.491 8.856 8.744 1.00 0.00 H new ATOM 0 HB3 LYS X 37 -4.403 10.448 9.472 1.00 0.00 H new ATOM 0 HG2 LYS X 37 -6.904 9.141 8.343 1.00 0.00 H new ATOM 0 HG3 LYS X 37 -6.505 9.308 10.041 1.00 0.00 H new ATOM 0 HD2 LYS X 37 -7.025 11.598 8.094 1.00 0.00 H new ATOM 0 HD3 LYS X 37 -8.126 11.035 9.335 1.00 0.00 H new ATOM 0 HE2 LYS X 37 -6.515 11.688 11.096 1.00 0.00 H new ATOM 0 HE3 LYS X 37 -5.359 12.189 9.878 1.00 0.00 H new ATOM 0 HZ1 LYS X 37 -6.567 14.056 10.759 1.00 0.00 H new ATOM 0 HZ2 LYS X 37 -6.927 13.854 9.112 1.00 0.00 H new ATOM 0 HZ3 LYS X 37 -8.047 13.369 10.293 1.00 0.00 H new ATOM 619 N THR X 38 -2.024 10.312 7.211 1.00 0.00 N ATOM 620 CA THR X 38 -0.792 11.135 7.392 1.00 0.00 C ATOM 621 C THR X 38 -0.515 12.074 6.124 1.00 0.00 C ATOM 622 O THR X 38 -1.456 12.465 5.420 1.00 0.00 O ATOM 623 CB THR X 38 0.348 10.087 7.521 1.00 0.00 C ATOM 624 OG1 THR X 38 -0.184 8.926 8.187 1.00 0.00 O ATOM 625 CG2 THR X 38 1.506 10.602 8.353 1.00 0.00 C ATOM 0 H THR X 38 -1.930 9.315 7.019 1.00 0.00 H new ATOM 0 HA THR X 38 -0.876 11.798 8.253 1.00 0.00 H new ATOM 0 HB THR X 38 0.714 9.862 6.519 1.00 0.00 H new ATOM 0 HG1 THR X 38 0.520 8.250 8.278 1.00 0.00 H new ATOM 0 HG21 THR X 38 2.278 9.835 8.415 1.00 0.00 H new ATOM 0 HG22 THR X 38 1.919 11.497 7.887 1.00 0.00 H new ATOM 0 HG23 THR X 38 1.154 10.845 9.356 1.00 0.00 H new ATOM 633 N GLU X 39 0.752 12.410 5.777 1.00 0.00 N ATOM 634 CA GLU X 39 1.191 12.694 4.409 1.00 0.00 C ATOM 635 C GLU X 39 1.504 11.471 3.635 1.00 0.00 C ATOM 636 O GLU X 39 0.966 11.136 2.599 1.00 0.00 O ATOM 637 CB GLU X 39 2.302 13.714 4.350 1.00 0.00 C ATOM 638 CG GLU X 39 1.913 15.048 4.934 1.00 0.00 C ATOM 639 CD GLU X 39 3.065 15.984 4.989 1.00 0.00 C ATOM 640 OE1 GLU X 39 3.950 15.797 5.839 1.00 0.00 O ATOM 641 OE2 GLU X 39 3.106 16.942 4.194 1.00 0.00 O ATOM 0 H GLU X 39 1.504 12.490 6.462 1.00 0.00 H new ATOM 0 HA GLU X 39 0.333 13.150 3.916 1.00 0.00 H new ATOM 0 HB2 GLU X 39 3.169 13.329 4.886 1.00 0.00 H new ATOM 0 HB3 GLU X 39 2.605 13.853 3.312 1.00 0.00 H new ATOM 0 HG2 GLU X 39 1.116 15.488 4.335 1.00 0.00 H new ATOM 0 HG3 GLU X 39 1.515 14.903 5.938 1.00 0.00 H new ATOM 648 N TYR X 40 2.420 10.802 4.317 1.00 0.00 N ATOM 649 CA TYR X 40 3.263 9.722 3.879 1.00 0.00 C ATOM 650 C TYR X 40 2.565 8.504 3.523 1.00 0.00 C ATOM 651 O TYR X 40 3.080 7.711 2.745 1.00 0.00 O ATOM 652 CB TYR X 40 4.344 9.418 4.893 1.00 0.00 C ATOM 653 CG TYR X 40 5.149 10.616 5.319 1.00 0.00 C ATOM 654 CD1 TYR X 40 5.978 11.278 4.426 1.00 0.00 C ATOM 655 CD2 TYR X 40 5.067 11.091 6.615 1.00 0.00 C ATOM 656 CE1 TYR X 40 6.703 12.381 4.821 1.00 0.00 C ATOM 657 CE2 TYR X 40 5.786 12.189 7.015 1.00 0.00 C ATOM 658 CZ TYR X 40 6.601 12.832 6.120 1.00 0.00 C ATOM 659 OH TYR X 40 7.321 13.932 6.528 1.00 0.00 O ATOM 0 H TYR X 40 2.603 11.034 5.293 1.00 0.00 H new ATOM 0 HA TYR X 40 3.711 10.091 2.956 1.00 0.00 H new ATOM 0 HB2 TYR X 40 3.884 8.972 5.775 1.00 0.00 H new ATOM 0 HB3 TYR X 40 5.019 8.672 4.474 1.00 0.00 H new ATOM 0 HD1 TYR X 40 6.056 10.925 3.408 1.00 0.00 H new ATOM 0 HD2 TYR X 40 4.426 10.589 7.325 1.00 0.00 H new ATOM 0 HE1 TYR X 40 7.347 12.889 4.118 1.00 0.00 H new ATOM 0 HE2 TYR X 40 5.710 12.545 8.032 1.00 0.00 H new ATOM 0 HH TYR X 40 7.132 14.115 7.472 1.00 0.00 H new ATOM 669 N CYS X 41 1.476 8.273 4.171 1.00 0.00 N ATOM 670 CA CYS X 41 0.832 6.987 4.050 1.00 0.00 C ATOM 671 C CYS X 41 0.138 6.859 2.680 1.00 0.00 C ATOM 672 O CYS X 41 -1.034 7.109 2.517 1.00 0.00 O ATOM 673 CB CYS X 41 -0.104 6.764 5.226 1.00 0.00 C ATOM 674 SG CYS X 41 -0.527 5.005 5.667 1.00 0.00 S ATOM 0 H CYS X 41 1.008 8.940 4.785 1.00 0.00 H new ATOM 0 HA CYS X 41 1.577 6.192 4.087 1.00 0.00 H new ATOM 0 HB2 CYS X 41 0.341 7.233 6.104 1.00 0.00 H new ATOM 0 HB3 CYS X 41 -1.035 7.292 5.020 1.00 0.00 H new ATOM 679 N TYR X 42 0.937 6.587 1.687 1.00 0.00 N ATOM 680 CA TYR X 42 0.478 6.423 0.341 1.00 0.00 C ATOM 681 C TYR X 42 0.999 5.148 -0.288 1.00 0.00 C ATOM 682 O TYR X 42 0.689 4.842 -1.428 1.00 0.00 O ATOM 683 CB TYR X 42 0.761 7.676 -0.535 1.00 0.00 C ATOM 684 CG TYR X 42 2.125 8.341 -0.340 1.00 0.00 C ATOM 685 CD1 TYR X 42 3.297 7.607 -0.264 1.00 0.00 C ATOM 686 CD2 TYR X 42 2.226 9.722 -0.248 1.00 0.00 C ATOM 687 CE1 TYR X 42 4.512 8.216 -0.096 1.00 0.00 C ATOM 688 CE2 TYR X 42 3.453 10.339 -0.078 1.00 0.00 C ATOM 689 CZ TYR X 42 4.590 9.577 0.000 1.00 0.00 C ATOM 690 OH TYR X 42 5.819 10.175 0.165 1.00 0.00 O ATOM 0 H TYR X 42 1.945 6.471 1.795 1.00 0.00 H new ATOM 0 HA TYR X 42 -0.606 6.323 0.390 1.00 0.00 H new ATOM 0 HB2 TYR X 42 0.665 7.391 -1.583 1.00 0.00 H new ATOM 0 HB3 TYR X 42 -0.013 8.417 -0.334 1.00 0.00 H new ATOM 0 HD1 TYR X 42 3.252 6.531 -0.339 1.00 0.00 H new ATOM 0 HD2 TYR X 42 1.332 10.325 -0.310 1.00 0.00 H new ATOM 0 HE1 TYR X 42 5.410 7.619 -0.039 1.00 0.00 H new ATOM 0 HE2 TYR X 42 3.515 11.415 -0.007 1.00 0.00 H new ATOM 0 HH TYR X 42 5.706 11.147 0.215 1.00 0.00 H new ATOM 700 N ILE X 43 1.785 4.388 0.444 1.00 0.00 N ATOM 701 CA ILE X 43 2.204 3.096 -0.072 1.00 0.00 C ATOM 702 C ILE X 43 1.620 2.099 0.837 1.00 0.00 C ATOM 703 O ILE X 43 1.661 2.274 2.036 1.00 0.00 O ATOM 704 CB ILE X 43 3.780 2.893 -0.239 1.00 0.00 C ATOM 705 CG1 ILE X 43 4.301 3.381 -1.605 1.00 0.00 C ATOM 706 CG2 ILE X 43 4.190 1.436 -0.053 1.00 0.00 C ATOM 707 CD1 ILE X 43 4.104 4.835 -1.912 1.00 0.00 C ATOM 0 H ILE X 43 2.139 4.628 1.370 1.00 0.00 H new ATOM 0 HA ILE X 43 1.849 2.997 -1.098 1.00 0.00 H new ATOM 0 HB ILE X 43 4.231 3.501 0.545 1.00 0.00 H new ATOM 0 HG12 ILE X 43 5.367 3.161 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE X 43 3.812 2.798 -2.385 1.00 0.00 H new ATOM 0 HG21 ILE X 43 5.269 1.343 -0.175 1.00 0.00 H new ATOM 0 HG22 ILE X 43 3.908 1.103 0.946 1.00 0.00 H new ATOM 0 HG23 ILE X 43 3.686 0.819 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE X 43 4.511 5.057 -2.899 1.00 0.00 H new ATOM 0 HD12 ILE X 43 3.040 5.069 -1.897 1.00 0.00 H new ATOM 0 HD13 ILE X 43 4.618 5.438 -1.164 1.00 0.00 H new ATOM 719 N VAL X 44 1.007 1.111 0.317 1.00 0.00 N ATOM 720 CA VAL X 44 0.411 0.168 1.170 1.00 0.00 C ATOM 721 C VAL X 44 0.808 -1.190 0.675 1.00 0.00 C ATOM 722 O VAL X 44 1.005 -1.395 -0.561 1.00 0.00 O ATOM 723 CB VAL X 44 -1.121 0.265 1.150 1.00 0.00 C ATOM 724 CG1 VAL X 44 -1.767 -0.327 2.394 1.00 0.00 C ATOM 725 CG2 VAL X 44 -1.665 1.658 0.791 1.00 0.00 C ATOM 0 H VAL X 44 0.905 0.935 -0.683 1.00 0.00 H new ATOM 0 HA VAL X 44 0.743 0.352 2.192 1.00 0.00 H new ATOM 0 HB VAL X 44 -1.427 -0.368 0.317 1.00 0.00 H new ATOM 0 HG11 VAL X 44 -2.850 -0.230 2.323 1.00 0.00 H new ATOM 0 HG12 VAL X 44 -1.502 -1.381 2.475 1.00 0.00 H new ATOM 0 HG13 VAL X 44 -1.412 0.205 3.277 1.00 0.00 H new ATOM 0 HG21 VAL X 44 -2.755 1.636 0.800 1.00 0.00 H new ATOM 0 HG22 VAL X 44 -1.310 2.386 1.520 1.00 0.00 H new ATOM 0 HG23 VAL X 44 -1.316 1.940 -0.202 1.00 0.00 H new ATOM 735 N PHE X 45 0.981 -2.090 1.578 1.00 0.00 N ATOM 736 CA PHE X 45 1.296 -3.423 1.248 1.00 0.00 C ATOM 737 C PHE X 45 0.233 -4.305 1.846 1.00 0.00 C ATOM 738 O PHE X 45 -0.064 -4.225 3.028 1.00 0.00 O ATOM 739 CB PHE X 45 2.696 -3.816 1.790 1.00 0.00 C ATOM 740 CG PHE X 45 3.884 -3.106 1.147 1.00 0.00 C ATOM 741 CD1 PHE X 45 3.774 -2.501 -0.097 1.00 0.00 C ATOM 742 CD2 PHE X 45 5.125 -3.086 1.772 1.00 0.00 C ATOM 743 CE1 PHE X 45 4.857 -1.897 -0.691 1.00 0.00 C ATOM 744 CE2 PHE X 45 6.212 -2.493 1.162 1.00 0.00 C ATOM 745 CZ PHE X 45 6.074 -1.901 -0.062 1.00 0.00 C ATOM 0 H PHE X 45 0.905 -1.912 2.579 1.00 0.00 H new ATOM 0 HA PHE X 45 1.327 -3.541 0.165 1.00 0.00 H new ATOM 0 HB2 PHE X 45 2.717 -3.620 2.862 1.00 0.00 H new ATOM 0 HB3 PHE X 45 2.826 -4.890 1.660 1.00 0.00 H new ATOM 0 HD1 PHE X 45 2.822 -2.505 -0.607 1.00 0.00 H new ATOM 0 HD2 PHE X 45 5.240 -3.539 2.745 1.00 0.00 H new ATOM 0 HE1 PHE X 45 4.748 -1.419 -1.654 1.00 0.00 H new ATOM 0 HE2 PHE X 45 7.174 -2.497 1.653 1.00 0.00 H new ATOM 0 HZ PHE X 45 6.926 -1.435 -0.534 1.00 0.00 H new ATOM 755 N GLU X 46 -0.291 -5.165 1.064 1.00 0.00 N ATOM 756 CA GLU X 46 -1.331 -6.038 1.518 1.00 0.00 C ATOM 757 C GLU X 46 -0.790 -7.440 1.411 1.00 0.00 C ATOM 758 O GLU X 46 -0.086 -7.752 0.442 1.00 0.00 O ATOM 759 CB GLU X 46 -2.580 -5.900 0.613 1.00 0.00 C ATOM 760 CG GLU X 46 -3.236 -4.499 0.540 1.00 0.00 C ATOM 761 CD GLU X 46 -4.072 -4.115 1.761 1.00 0.00 C ATOM 762 OE1 GLU X 46 -4.702 -5.007 2.378 1.00 0.00 O ATOM 763 OE2 GLU X 46 -4.179 -2.911 2.078 1.00 0.00 O ATOM 0 H GLU X 46 -0.021 -5.295 0.089 1.00 0.00 H new ATOM 0 HA GLU X 46 -1.624 -5.795 2.539 1.00 0.00 H new ATOM 0 HB2 GLU X 46 -2.302 -6.198 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU X 46 -3.331 -6.610 0.960 1.00 0.00 H new ATOM 0 HG2 GLU X 46 -2.452 -3.754 0.405 1.00 0.00 H new ATOM 0 HG3 GLU X 46 -3.871 -4.457 -0.345 1.00 0.00 H new ATOM 770 N ASP X 47 -1.018 -8.242 2.403 1.00 0.00 N ATOM 771 CA ASP X 47 -0.646 -9.638 2.325 1.00 0.00 C ATOM 772 C ASP X 47 -1.866 -10.342 1.840 1.00 0.00 C ATOM 773 O ASP X 47 -2.864 -10.363 2.533 1.00 0.00 O ATOM 774 CB ASP X 47 -0.237 -10.202 3.688 1.00 0.00 C ATOM 775 CG ASP X 47 0.264 -11.640 3.604 1.00 0.00 C ATOM 776 OD1 ASP X 47 -0.531 -12.552 3.289 1.00 0.00 O ATOM 777 OD2 ASP X 47 1.446 -11.880 3.869 1.00 0.00 O ATOM 0 H ASP X 47 -1.459 -7.964 3.280 1.00 0.00 H new ATOM 0 HA ASP X 47 0.213 -9.770 1.668 1.00 0.00 H new ATOM 0 HB2 ASP X 47 0.544 -9.574 4.117 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -1.090 -10.158 4.366 1.00 0.00 H new ATOM 782 N THR X 48 -1.802 -10.895 0.678 1.00 0.00 N ATOM 783 CA THR X 48 -2.972 -11.443 0.046 1.00 0.00 C ATOM 784 C THR X 48 -3.285 -12.867 0.557 1.00 0.00 C ATOM 785 O THR X 48 -4.418 -13.353 0.440 1.00 0.00 O ATOM 786 CB THR X 48 -2.818 -11.400 -1.513 1.00 0.00 C ATOM 787 OG1 THR X 48 -4.046 -11.753 -2.161 1.00 0.00 O ATOM 788 CG2 THR X 48 -1.699 -12.324 -1.992 1.00 0.00 C ATOM 0 H THR X 48 -0.944 -10.984 0.133 1.00 0.00 H new ATOM 0 HA THR X 48 -3.827 -10.824 0.317 1.00 0.00 H new ATOM 0 HB THR X 48 -2.558 -10.376 -1.780 1.00 0.00 H new ATOM 0 HG1 THR X 48 -3.925 -11.717 -3.133 1.00 0.00 H new ATOM 0 HG21 THR X 48 -1.621 -12.268 -3.078 1.00 0.00 H new ATOM 0 HG22 THR X 48 -0.755 -12.014 -1.544 1.00 0.00 H new ATOM 0 HG23 THR X 48 -1.922 -13.349 -1.696 1.00 0.00 H new ATOM 796 N VAL X 49 -2.296 -13.516 1.143 1.00 0.00 N ATOM 797 CA VAL X 49 -2.464 -14.873 1.624 1.00 0.00 C ATOM 798 C VAL X 49 -3.145 -14.863 2.989 1.00 0.00 C ATOM 799 O VAL X 49 -4.115 -15.575 3.240 1.00 0.00 O ATOM 800 CB VAL X 49 -1.101 -15.616 1.707 1.00 0.00 C ATOM 801 CG1 VAL X 49 -1.287 -17.060 2.143 1.00 0.00 C ATOM 802 CG2 VAL X 49 -0.374 -15.555 0.373 1.00 0.00 C ATOM 0 H VAL X 49 -1.367 -13.124 1.297 1.00 0.00 H new ATOM 0 HA VAL X 49 -3.094 -15.409 0.914 1.00 0.00 H new ATOM 0 HB VAL X 49 -0.493 -15.112 2.458 1.00 0.00 H new ATOM 0 HG11 VAL X 49 -0.316 -17.553 2.192 1.00 0.00 H new ATOM 0 HG12 VAL X 49 -1.757 -17.086 3.126 1.00 0.00 H new ATOM 0 HG13 VAL X 49 -1.922 -17.578 1.424 1.00 0.00 H new ATOM 0 HG21 VAL X 49 0.577 -16.081 0.453 1.00 0.00 H new ATOM 0 HG22 VAL X 49 -0.986 -16.026 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL X 49 -0.192 -14.514 0.105 1.00 0.00 H new ATOM 812 N ASN X 50 -2.654 -14.011 3.828 1.00 0.00 N ATOM 813 CA ASN X 50 -3.102 -13.881 5.208 1.00 0.00 C ATOM 814 C ASN X 50 -4.172 -12.838 5.325 1.00 0.00 C ATOM 815 O ASN X 50 -4.924 -12.811 6.301 1.00 0.00 O ATOM 816 CB ASN X 50 -1.912 -13.467 6.089 1.00 0.00 C ATOM 817 CG ASN X 50 -0.834 -14.515 6.163 1.00 0.00 C ATOM 818 OD1 ASN X 50 -0.839 -15.361 7.049 1.00 0.00 O ATOM 819 ND2 ASN X 50 0.098 -14.468 5.243 1.00 0.00 N ATOM 0 H ASN X 50 -1.908 -13.360 3.582 1.00 0.00 H new ATOM 0 HA ASN X 50 -3.505 -14.840 5.532 1.00 0.00 H new ATOM 0 HB2 ASN X 50 -1.485 -12.543 5.700 1.00 0.00 H new ATOM 0 HB3 ASN X 50 -2.271 -13.253 7.096 1.00 0.00 H new ATOM 0 HD21 ASN X 50 0.855 -15.152 5.248 1.00 0.00 H new ATOM 0 HD22 ASN X 50 0.067 -13.748 4.522 1.00 0.00 H new ATOM 826 N LYS X 51 -4.254 -11.999 4.304 1.00 0.00 N ATOM 827 CA LYS X 51 -5.145 -10.839 4.281 1.00 0.00 C ATOM 828 C LYS X 51 -4.745 -9.878 5.385 1.00 0.00 C ATOM 829 O LYS X 51 -5.584 -9.302 6.081 1.00 0.00 O ATOM 830 CB LYS X 51 -6.650 -11.185 4.345 1.00 0.00 C ATOM 831 CG LYS X 51 -7.234 -11.872 3.098 1.00 0.00 C ATOM 832 CD LYS X 51 -6.855 -13.346 2.960 1.00 0.00 C ATOM 833 CE LYS X 51 -7.386 -14.179 4.125 1.00 0.00 C ATOM 834 NZ LYS X 51 -8.846 -13.992 4.340 1.00 0.00 N ATOM 0 H LYS X 51 -3.698 -12.102 3.455 1.00 0.00 H new ATOM 0 HA LYS X 51 -5.020 -10.364 3.308 1.00 0.00 H new ATOM 0 HB2 LYS X 51 -6.818 -11.833 5.205 1.00 0.00 H new ATOM 0 HB3 LYS X 51 -7.207 -10.266 4.524 1.00 0.00 H new ATOM 0 HG2 LYS X 51 -8.320 -11.789 3.126 1.00 0.00 H new ATOM 0 HG3 LYS X 51 -6.896 -11.337 2.210 1.00 0.00 H new ATOM 0 HD2 LYS X 51 -7.251 -13.737 2.023 1.00 0.00 H new ATOM 0 HD3 LYS X 51 -5.770 -13.439 2.911 1.00 0.00 H new ATOM 0 HE2 LYS X 51 -7.182 -15.233 3.937 1.00 0.00 H new ATOM 0 HE3 LYS X 51 -6.850 -13.908 5.035 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 -9.196 -14.718 4.997 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 -9.020 -13.049 4.742 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 -9.344 -14.078 3.431 1.00 0.00 H new ATOM 848 N GLU X 52 -3.449 -9.701 5.513 1.00 0.00 N ATOM 849 CA GLU X 52 -2.888 -8.817 6.509 1.00 0.00 C ATOM 850 C GLU X 52 -2.598 -7.484 5.873 1.00 0.00 C ATOM 851 O GLU X 52 -2.479 -7.401 4.643 1.00 0.00 O ATOM 852 CB GLU X 52 -1.644 -9.425 7.164 1.00 0.00 C ATOM 853 CG GLU X 52 -1.951 -10.660 7.985 1.00 0.00 C ATOM 854 CD GLU X 52 -2.851 -10.382 9.164 1.00 0.00 C ATOM 855 OE1 GLU X 52 -2.379 -9.847 10.180 1.00 0.00 O ATOM 856 OE2 GLU X 52 -4.059 -10.698 9.094 1.00 0.00 O ATOM 0 H GLU X 52 -2.754 -10.166 4.929 1.00 0.00 H new ATOM 0 HA GLU X 52 -3.611 -8.673 7.312 1.00 0.00 H new ATOM 0 HB2 GLU X 52 -0.921 -9.681 6.390 1.00 0.00 H new ATOM 0 HB3 GLU X 52 -1.175 -8.677 7.804 1.00 0.00 H new ATOM 0 HG2 GLU X 52 -2.422 -11.406 7.345 1.00 0.00 H new ATOM 0 HG3 GLU X 52 -1.016 -11.092 8.343 1.00 0.00 H new ATOM 863 N CYS X 53 -2.462 -6.465 6.658 1.00 0.00 N ATOM 864 CA CYS X 53 -2.365 -5.148 6.122 1.00 0.00 C ATOM 865 C CYS X 53 -1.175 -4.453 6.682 1.00 0.00 C ATOM 866 O CYS X 53 -0.979 -4.439 7.894 1.00 0.00 O ATOM 867 CB CYS X 53 -3.638 -4.366 6.464 1.00 0.00 C ATOM 868 SG CYS X 53 -3.652 -2.635 5.908 1.00 0.00 S ATOM 0 H CYS X 53 -2.416 -6.520 7.675 1.00 0.00 H new ATOM 0 HA CYS X 53 -2.256 -5.207 5.039 1.00 0.00 H new ATOM 0 HB2 CYS X 53 -4.492 -4.880 6.022 1.00 0.00 H new ATOM 0 HB3 CYS X 53 -3.779 -4.385 7.545 1.00 0.00 H new ATOM 873 N TYR X 54 -0.349 -3.950 5.814 1.00 0.00 N ATOM 874 CA TYR X 54 0.751 -3.137 6.208 1.00 0.00 C ATOM 875 C TYR X 54 0.604 -1.841 5.485 1.00 0.00 C ATOM 876 O TYR X 54 0.519 -1.813 4.265 1.00 0.00 O ATOM 877 CB TYR X 54 2.090 -3.757 5.784 1.00 0.00 C ATOM 878 CG TYR X 54 2.516 -5.020 6.498 1.00 0.00 C ATOM 879 CD1 TYR X 54 1.839 -6.223 6.328 1.00 0.00 C ATOM 880 CD2 TYR X 54 3.617 -5.004 7.330 1.00 0.00 C ATOM 881 CE1 TYR X 54 2.254 -7.370 6.977 1.00 0.00 C ATOM 882 CE2 TYR X 54 4.039 -6.138 7.973 1.00 0.00 C ATOM 883 CZ TYR X 54 3.358 -7.320 7.798 1.00 0.00 C ATOM 884 OH TYR X 54 3.786 -8.458 8.455 1.00 0.00 O ATOM 0 H TYR X 54 -0.424 -4.096 4.807 1.00 0.00 H new ATOM 0 HA TYR X 54 0.750 -3.026 7.292 1.00 0.00 H new ATOM 0 HB2 TYR X 54 2.042 -3.971 4.716 1.00 0.00 H new ATOM 0 HB3 TYR X 54 2.870 -3.009 5.924 1.00 0.00 H new ATOM 0 HD1 TYR X 54 0.976 -6.261 5.679 1.00 0.00 H new ATOM 0 HD2 TYR X 54 4.156 -4.080 7.477 1.00 0.00 H new ATOM 0 HE1 TYR X 54 1.717 -8.297 6.841 1.00 0.00 H new ATOM 0 HE2 TYR X 54 4.906 -6.104 8.617 1.00 0.00 H new ATOM 0 HH TYR X 54 4.578 -8.247 8.992 1.00 0.00 H new ATOM 894 N TYR X 55 0.626 -0.792 6.180 1.00 0.00 N ATOM 895 CA TYR X 55 0.539 0.474 5.535 1.00 0.00 C ATOM 896 C TYR X 55 1.782 1.265 5.762 1.00 0.00 C ATOM 897 O TYR X 55 2.285 1.342 6.900 1.00 0.00 O ATOM 898 CB TYR X 55 -0.776 1.225 5.859 1.00 0.00 C ATOM 899 CG TYR X 55 -1.188 1.228 7.312 1.00 0.00 C ATOM 900 CD1 TYR X 55 -0.717 2.176 8.200 1.00 0.00 C ATOM 901 CD2 TYR X 55 -2.077 0.276 7.786 1.00 0.00 C ATOM 902 CE1 TYR X 55 -1.119 2.171 9.517 1.00 0.00 C ATOM 903 CE2 TYR X 55 -2.485 0.265 9.095 1.00 0.00 C ATOM 904 CZ TYR X 55 -2.007 1.210 9.958 1.00 0.00 C ATOM 905 OH TYR X 55 -2.421 1.203 11.273 1.00 0.00 O ATOM 0 H TYR X 55 0.703 -0.763 7.197 1.00 0.00 H new ATOM 0 HA TYR X 55 0.479 0.307 4.460 1.00 0.00 H new ATOM 0 HB2 TYR X 55 -0.674 2.258 5.527 1.00 0.00 H new ATOM 0 HB3 TYR X 55 -1.581 0.780 5.273 1.00 0.00 H new ATOM 0 HD1 TYR X 55 -0.025 2.931 7.857 1.00 0.00 H new ATOM 0 HD2 TYR X 55 -2.457 -0.474 7.109 1.00 0.00 H new ATOM 0 HE1 TYR X 55 -0.741 2.916 10.202 1.00 0.00 H new ATOM 0 HE2 TYR X 55 -3.180 -0.486 9.442 1.00 0.00 H new ATOM 0 HH TYR X 55 -3.046 0.462 11.415 1.00 0.00 H new ATOM 915 N ASN X 56 2.333 1.769 4.675 1.00 0.00 N ATOM 916 CA ASN X 56 3.582 2.544 4.737 1.00 0.00 C ATOM 917 C ASN X 56 3.332 3.886 5.291 1.00 0.00 C ATOM 918 O ASN X 56 2.602 4.686 4.677 1.00 0.00 O ATOM 919 CB ASN X 56 4.236 2.688 3.374 1.00 0.00 C ATOM 920 CG ASN X 56 5.361 3.699 3.364 1.00 0.00 C ATOM 921 OD1 ASN X 56 5.346 4.540 2.379 1.00 0.00 O flip ATOM 922 ND2 ASN X 56 6.169 3.783 4.287 1.00 0.00 N flip ATOM 0 H ASN X 56 1.947 1.663 3.737 1.00 0.00 H new ATOM 0 HA ASN X 56 4.260 1.991 5.387 1.00 0.00 H new ATOM 0 HB2 ASN X 56 4.622 1.719 3.058 1.00 0.00 H new ATOM 0 HB3 ASN X 56 3.482 2.984 2.644 1.00 0.00 H new ATOM 0 HD21 ASN X 56 6.149 3.101 5.046 1.00 0.00 H new ATOM 0 HD22 ASN X 56 6.859 4.534 4.294 1.00 0.00 H new ATOM 929 N VAL X 57 4.020 4.173 6.386 1.00 0.00 N ATOM 930 CA VAL X 57 3.779 5.414 7.106 1.00 0.00 C ATOM 931 C VAL X 57 4.911 6.414 6.924 1.00 0.00 C ATOM 932 O VAL X 57 4.895 7.505 7.512 1.00 0.00 O ATOM 933 CB VAL X 57 3.491 5.192 8.623 1.00 0.00 C ATOM 934 CG1 VAL X 57 2.232 4.364 8.818 1.00 0.00 C ATOM 935 CG2 VAL X 57 4.670 4.539 9.328 1.00 0.00 C ATOM 0 H VAL X 57 4.739 3.574 6.791 1.00 0.00 H new ATOM 0 HA VAL X 57 2.877 5.834 6.661 1.00 0.00 H new ATOM 0 HB VAL X 57 3.336 6.173 9.072 1.00 0.00 H new ATOM 0 HG11 VAL X 57 2.051 4.222 9.884 1.00 0.00 H new ATOM 0 HG12 VAL X 57 1.383 4.882 8.372 1.00 0.00 H new ATOM 0 HG13 VAL X 57 2.357 3.393 8.339 1.00 0.00 H new ATOM 0 HG21 VAL X 57 4.432 4.400 10.383 1.00 0.00 H new ATOM 0 HG22 VAL X 57 4.876 3.570 8.872 1.00 0.00 H new ATOM 0 HG23 VAL X 57 5.549 5.177 9.235 1.00 0.00 H new ATOM 945 N VAL X 58 5.882 6.060 6.118 1.00 0.00 N ATOM 946 CA VAL X 58 7.005 6.965 5.843 1.00 0.00 C ATOM 947 C VAL X 58 6.960 7.311 4.349 1.00 0.00 C ATOM 948 O VAL X 58 6.033 6.912 3.650 1.00 0.00 O ATOM 949 CB VAL X 58 8.390 6.309 6.227 1.00 0.00 C ATOM 950 CG1 VAL X 58 9.541 7.318 6.332 1.00 0.00 C ATOM 951 CG2 VAL X 58 8.285 5.531 7.504 1.00 0.00 C ATOM 0 H VAL X 58 5.931 5.162 5.637 1.00 0.00 H new ATOM 0 HA VAL X 58 6.913 7.866 6.450 1.00 0.00 H new ATOM 0 HB VAL X 58 8.629 5.636 5.404 1.00 0.00 H new ATOM 0 HG11 VAL X 58 10.460 6.796 6.599 1.00 0.00 H new ATOM 0 HG12 VAL X 58 9.674 7.819 5.373 1.00 0.00 H new ATOM 0 HG13 VAL X 58 9.308 8.057 7.099 1.00 0.00 H new ATOM 0 HG21 VAL X 58 9.253 5.091 7.743 1.00 0.00 H new ATOM 0 HG22 VAL X 58 7.980 6.197 8.311 1.00 0.00 H new ATOM 0 HG23 VAL X 58 7.545 4.739 7.388 1.00 0.00 H new ATOM 961 N ASP X 59 7.902 8.063 3.879 1.00 0.00 N ATOM 962 CA ASP X 59 7.979 8.435 2.488 1.00 0.00 C ATOM 963 C ASP X 59 8.293 7.240 1.612 1.00 0.00 C ATOM 964 O ASP X 59 9.427 6.812 1.463 1.00 0.00 O ATOM 965 CB ASP X 59 8.922 9.639 2.235 1.00 0.00 C ATOM 966 CG ASP X 59 10.244 9.559 2.971 1.00 0.00 C ATOM 967 OD1 ASP X 59 10.264 9.879 4.172 1.00 0.00 O ATOM 968 OD2 ASP X 59 11.269 9.215 2.382 1.00 0.00 O ATOM 0 H ASP X 59 8.654 8.446 4.452 1.00 0.00 H new ATOM 0 HA ASP X 59 6.989 8.786 2.198 1.00 0.00 H new ATOM 0 HB2 ASP X 59 9.119 9.713 1.165 1.00 0.00 H new ATOM 0 HB3 ASP X 59 8.410 10.555 2.530 1.00 0.00 H new ATOM 973 N GLY X 60 7.237 6.688 1.069 1.00 0.00 N ATOM 974 CA GLY X 60 7.301 5.547 0.225 1.00 0.00 C ATOM 975 C GLY X 60 7.357 5.961 -1.189 1.00 0.00 C ATOM 976 O GLY X 60 7.405 5.138 -2.077 1.00 0.00 O ATOM 0 H GLY X 60 6.290 7.038 1.213 1.00 0.00 H new ATOM 0 HA2 GLY X 60 8.180 4.952 0.472 1.00 0.00 H new ATOM 0 HA3 GLY X 60 6.430 4.913 0.392 1.00 0.00 H new ATOM 980 N GLU X 61 7.355 7.271 -1.398 1.00 0.00 N ATOM 981 CA GLU X 61 7.594 7.844 -2.700 1.00 0.00 C ATOM 982 C GLU X 61 9.029 7.504 -3.052 1.00 0.00 C ATOM 983 O GLU X 61 9.421 7.421 -4.216 1.00 0.00 O ATOM 984 CB GLU X 61 7.424 9.355 -2.615 1.00 0.00 C ATOM 985 CG GLU X 61 7.698 10.092 -3.903 1.00 0.00 C ATOM 986 CD GLU X 61 7.542 11.565 -3.742 1.00 0.00 C ATOM 987 OE1 GLU X 61 8.514 12.239 -3.328 1.00 0.00 O ATOM 988 OE2 GLU X 61 6.454 12.084 -4.016 1.00 0.00 O ATOM 0 H GLU X 61 7.187 7.960 -0.664 1.00 0.00 H new ATOM 0 HA GLU X 61 6.903 7.461 -3.450 1.00 0.00 H new ATOM 0 HB2 GLU X 61 6.405 9.575 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU X 61 8.091 9.739 -1.843 1.00 0.00 H new ATOM 0 HG2 GLU X 61 8.710 9.869 -4.241 1.00 0.00 H new ATOM 0 HG3 GLU X 61 7.017 9.737 -4.677 1.00 0.00 H new ATOM 995 N GLU X 62 9.791 7.287 -2.001 1.00 0.00 N ATOM 996 CA GLU X 62 11.138 6.894 -2.079 1.00 0.00 C ATOM 997 C GLU X 62 11.263 5.395 -2.281 1.00 0.00 C ATOM 998 O GLU X 62 12.372 4.907 -2.475 1.00 0.00 O ATOM 999 CB GLU X 62 11.879 7.318 -0.826 1.00 0.00 C ATOM 1000 CG GLU X 62 11.901 8.815 -0.601 1.00 0.00 C ATOM 1001 CD GLU X 62 12.670 9.549 -1.653 1.00 0.00 C ATOM 1002 OE1 GLU X 62 13.911 9.604 -1.565 1.00 0.00 O ATOM 1003 OE2 GLU X 62 12.053 10.109 -2.580 1.00 0.00 O ATOM 0 H GLU X 62 9.454 7.390 -1.044 1.00 0.00 H new ATOM 0 HA GLU X 62 11.585 7.388 -2.942 1.00 0.00 H new ATOM 0 HB2 GLU X 62 11.417 6.838 0.037 1.00 0.00 H new ATOM 0 HB3 GLU X 62 12.905 6.954 -0.882 1.00 0.00 H new ATOM 0 HG2 GLU X 62 10.878 9.189 -0.578 1.00 0.00 H new ATOM 0 HG3 GLU X 62 12.339 9.025 0.375 1.00 0.00 H new ATOM 1010 N LEU X 63 10.154 4.632 -2.224 1.00 0.00 N ATOM 1011 CA LEU X 63 10.327 3.213 -2.500 1.00 0.00 C ATOM 1012 C LEU X 63 10.359 2.995 -3.990 1.00 0.00 C ATOM 1013 O LEU X 63 9.543 3.553 -4.730 1.00 0.00 O ATOM 1014 CB LEU X 63 9.295 2.288 -1.805 1.00 0.00 C ATOM 1015 CG LEU X 63 9.273 2.340 -0.272 1.00 0.00 C ATOM 1016 CD1 LEU X 63 8.157 1.472 0.276 1.00 0.00 C ATOM 1017 CD2 LEU X 63 10.613 1.899 0.304 1.00 0.00 C ATOM 0 H LEU X 63 9.209 4.948 -2.008 1.00 0.00 H new ATOM 0 HA LEU X 63 11.281 2.921 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU X 63 8.301 2.545 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU X 63 9.493 1.261 -2.111 1.00 0.00 H new ATOM 0 HG LEU X 63 9.091 3.372 0.027 1.00 0.00 H new ATOM 0 HD11 LEU X 63 8.158 1.522 1.365 1.00 0.00 H new ATOM 0 HD12 LEU X 63 7.199 1.829 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU X 63 8.310 0.440 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU X 63 10.574 1.944 1.392 1.00 0.00 H new ATOM 0 HD22 LEU X 63 10.825 0.877 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU X 63 11.400 2.560 -0.058 1.00 0.00 H new ATOM 1029 N ASP X 64 11.342 2.274 -4.432 1.00 0.00 N ATOM 1030 CA ASP X 64 11.493 1.970 -5.829 1.00 0.00 C ATOM 1031 C ASP X 64 10.874 0.650 -6.105 1.00 0.00 C ATOM 1032 O ASP X 64 11.507 -0.384 -5.879 1.00 0.00 O ATOM 1033 CB ASP X 64 12.938 1.889 -6.251 1.00 0.00 C ATOM 1034 CG ASP X 64 13.670 3.190 -6.383 1.00 0.00 C ATOM 1035 OD1 ASP X 64 13.529 3.855 -7.432 1.00 0.00 O ATOM 1036 OD2 ASP X 64 14.484 3.520 -5.514 1.00 0.00 O ATOM 0 H ASP X 64 12.067 1.876 -3.835 1.00 0.00 H new ATOM 0 HA ASP X 64 11.013 2.775 -6.385 1.00 0.00 H new ATOM 0 HB2 ASP X 64 13.470 1.270 -5.529 1.00 0.00 H new ATOM 0 HB3 ASP X 64 12.985 1.372 -7.210 1.00 0.00 H new ATOM 1041 N GLN X 65 9.685 0.664 -6.655 1.00 0.00 N ATOM 1042 CA GLN X 65 8.905 -0.558 -6.822 1.00 0.00 C ATOM 1043 C GLN X 65 9.553 -1.463 -7.851 1.00 0.00 C ATOM 1044 O GLN X 65 9.402 -2.676 -7.822 1.00 0.00 O ATOM 1045 CB GLN X 65 7.475 -0.271 -7.287 1.00 0.00 C ATOM 1046 CG GLN X 65 6.817 0.984 -6.725 1.00 0.00 C ATOM 1047 CD GLN X 65 6.832 1.138 -5.197 1.00 0.00 C ATOM 1048 OE1 GLN X 65 6.838 2.259 -4.689 1.00 0.00 O ATOM 1049 NE2 GLN X 65 6.816 0.063 -4.467 1.00 0.00 N ATOM 0 H GLN X 65 9.226 1.508 -6.999 1.00 0.00 H new ATOM 0 HA GLN X 65 8.874 -1.040 -5.845 1.00 0.00 H new ATOM 0 HB2 GLN X 65 7.478 -0.197 -8.374 1.00 0.00 H new ATOM 0 HB3 GLN X 65 6.853 -1.128 -7.028 1.00 0.00 H new ATOM 0 HG2 GLN X 65 7.311 1.853 -7.161 1.00 0.00 H new ATOM 0 HG3 GLN X 65 5.780 1.005 -7.060 1.00 0.00 H new ATOM 0 HE21 GLN X 65 6.811 -0.855 -4.911 1.00 0.00 H new ATOM 0 HE22 GLN X 65 6.808 0.137 -3.450 1.00 0.00 H new ATOM 1058 N GLU X 66 10.296 -0.882 -8.749 1.00 0.00 N ATOM 1059 CA GLU X 66 10.887 -1.637 -9.821 1.00 0.00 C ATOM 1060 C GLU X 66 12.102 -2.416 -9.330 1.00 0.00 C ATOM 1061 O GLU X 66 12.380 -3.498 -9.816 1.00 0.00 O ATOM 1062 CB GLU X 66 11.241 -0.754 -11.022 1.00 0.00 C ATOM 1063 CG GLU X 66 10.489 0.567 -11.079 1.00 0.00 C ATOM 1064 CD GLU X 66 11.226 1.630 -10.313 1.00 0.00 C ATOM 1065 OE1 GLU X 66 11.103 1.689 -9.094 1.00 0.00 O ATOM 1066 OE2 GLU X 66 11.988 2.399 -10.924 1.00 0.00 O ATOM 0 H GLU X 66 10.509 0.116 -8.762 1.00 0.00 H new ATOM 0 HA GLU X 66 10.139 -2.352 -10.164 1.00 0.00 H new ATOM 0 HB2 GLU X 66 12.311 -0.547 -11.002 1.00 0.00 H new ATOM 0 HB3 GLU X 66 11.041 -1.311 -11.937 1.00 0.00 H new ATOM 0 HG2 GLU X 66 10.367 0.878 -12.117 1.00 0.00 H new ATOM 0 HG3 GLU X 66 9.489 0.440 -10.665 1.00 0.00 H new ATOM 1073 N LYS X 67 12.782 -1.900 -8.305 1.00 0.00 N ATOM 1074 CA LYS X 67 13.959 -2.595 -7.751 1.00 0.00 C ATOM 1075 C LYS X 67 13.528 -3.598 -6.659 1.00 0.00 C ATOM 1076 O LYS X 67 14.336 -4.117 -5.897 1.00 0.00 O ATOM 1077 CB LYS X 67 15.051 -1.620 -7.229 1.00 0.00 C ATOM 1078 CG LYS X 67 15.647 -0.659 -8.287 1.00 0.00 C ATOM 1079 CD LYS X 67 14.726 0.520 -8.563 1.00 0.00 C ATOM 1080 CE LYS X 67 15.256 1.460 -9.626 1.00 0.00 C ATOM 1081 NZ LYS X 67 14.393 2.675 -9.777 1.00 0.00 N ATOM 0 H LYS X 67 12.549 -1.020 -7.844 1.00 0.00 H new ATOM 0 HA LYS X 67 14.419 -3.147 -8.571 1.00 0.00 H new ATOM 0 HB2 LYS X 67 14.626 -1.024 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS X 67 15.862 -2.207 -6.799 1.00 0.00 H new ATOM 0 HG2 LYS X 67 16.613 -0.292 -7.941 1.00 0.00 H new ATOM 0 HG3 LYS X 67 15.826 -1.205 -9.213 1.00 0.00 H new ATOM 0 HD2 LYS X 67 13.751 0.145 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS X 67 14.574 1.077 -7.639 1.00 0.00 H new ATOM 0 HE2 LYS X 67 16.270 1.765 -9.368 1.00 0.00 H new ATOM 0 HE3 LYS X 67 15.314 0.935 -10.579 1.00 0.00 H new ATOM 0 HZ1 LYS X 67 14.977 3.480 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS X 67 13.658 2.492 -10.489 1.00 0.00 H new ATOM 0 HZ3 LYS X 67 13.944 2.897 -8.866 1.00 0.00 H new ATOM 1095 N PHE X 68 12.256 -3.871 -6.648 1.00 0.00 N ATOM 1096 CA PHE X 68 11.615 -4.832 -5.781 1.00 0.00 C ATOM 1097 C PHE X 68 11.802 -6.263 -6.264 1.00 0.00 C ATOM 1098 O PHE X 68 11.983 -6.525 -7.462 1.00 0.00 O ATOM 1099 CB PHE X 68 10.137 -4.527 -5.537 1.00 0.00 C ATOM 1100 CG PHE X 68 9.849 -3.715 -4.298 1.00 0.00 C ATOM 1101 CD1 PHE X 68 10.179 -2.386 -4.201 1.00 0.00 C ATOM 1102 CD2 PHE X 68 9.226 -4.305 -3.239 1.00 0.00 C ATOM 1103 CE1 PHE X 68 9.887 -1.658 -3.056 1.00 0.00 C ATOM 1104 CE2 PHE X 68 8.933 -3.596 -2.089 1.00 0.00 C ATOM 1105 CZ PHE X 68 9.259 -2.276 -1.995 1.00 0.00 C ATOM 0 H PHE X 68 11.598 -3.408 -7.275 1.00 0.00 H new ATOM 0 HA PHE X 68 12.122 -4.736 -4.821 1.00 0.00 H new ATOM 0 HB2 PHE X 68 9.744 -3.993 -6.402 1.00 0.00 H new ATOM 0 HB3 PHE X 68 9.593 -5.469 -5.470 1.00 0.00 H new ATOM 0 HD1 PHE X 68 10.674 -1.899 -5.029 1.00 0.00 H new ATOM 0 HD2 PHE X 68 8.955 -5.349 -3.300 1.00 0.00 H new ATOM 0 HE1 PHE X 68 10.150 -0.612 -2.996 1.00 0.00 H new ATOM 0 HE2 PHE X 68 8.444 -4.090 -1.262 1.00 0.00 H new ATOM 0 HZ PHE X 68 9.028 -1.720 -1.099 1.00 0.00 H new ATOM 1115 N VAL X 69 11.773 -7.156 -5.323 1.00 0.00 N ATOM 1116 CA VAL X 69 11.964 -8.582 -5.512 1.00 0.00 C ATOM 1117 C VAL X 69 10.614 -9.141 -5.108 1.00 0.00 C ATOM 1118 O VAL X 69 9.806 -8.380 -4.657 1.00 0.00 O ATOM 1119 CB VAL X 69 13.060 -9.107 -4.518 1.00 0.00 C ATOM 1120 CG1 VAL X 69 13.368 -10.583 -4.726 1.00 0.00 C ATOM 1121 CG2 VAL X 69 14.331 -8.277 -4.613 1.00 0.00 C ATOM 0 H VAL X 69 11.608 -6.908 -4.347 1.00 0.00 H new ATOM 0 HA VAL X 69 12.281 -8.855 -6.519 1.00 0.00 H new ATOM 0 HB VAL X 69 12.650 -8.999 -3.514 1.00 0.00 H new ATOM 0 HG11 VAL X 69 14.132 -10.899 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL X 69 12.462 -11.169 -4.570 1.00 0.00 H new ATOM 0 HG13 VAL X 69 13.731 -10.739 -5.742 1.00 0.00 H new ATOM 0 HG21 VAL X 69 15.072 -8.664 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL X 69 14.727 -8.332 -5.627 1.00 0.00 H new ATOM 0 HG23 VAL X 69 14.107 -7.239 -4.367 1.00 0.00 H new ATOM 1131 N VAL X 70 10.291 -10.356 -5.392 1.00 0.00 N ATOM 1132 CA VAL X 70 8.945 -10.817 -5.092 1.00 0.00 C ATOM 1133 C VAL X 70 8.810 -11.654 -3.815 1.00 0.00 C ATOM 1134 O VAL X 70 9.452 -12.701 -3.684 1.00 0.00 O ATOM 1135 CB VAL X 70 8.330 -11.594 -6.277 1.00 0.00 C ATOM 1136 CG1 VAL X 70 6.902 -12.056 -5.981 1.00 0.00 C ATOM 1137 CG2 VAL X 70 8.371 -10.766 -7.540 1.00 0.00 C ATOM 0 H VAL X 70 10.909 -11.045 -5.820 1.00 0.00 H new ATOM 0 HA VAL X 70 8.391 -9.895 -4.915 1.00 0.00 H new ATOM 0 HB VAL X 70 8.936 -12.488 -6.426 1.00 0.00 H new ATOM 0 HG11 VAL X 70 6.509 -12.598 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL X 70 6.905 -12.711 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL X 70 6.273 -11.189 -5.781 1.00 0.00 H new ATOM 0 HG21 VAL X 70 7.933 -11.333 -8.361 1.00 0.00 H new ATOM 0 HG22 VAL X 70 7.805 -9.847 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL X 70 9.405 -10.520 -7.780 1.00 0.00 H new ATOM 1147 N ASP X 71 8.002 -11.172 -2.862 1.00 0.00 N ATOM 1148 CA ASP X 71 7.510 -12.048 -1.816 1.00 0.00 C ATOM 1149 C ASP X 71 6.140 -12.462 -2.224 1.00 0.00 C ATOM 1150 O ASP X 71 5.256 -11.614 -2.397 1.00 0.00 O ATOM 1151 CB ASP X 71 7.477 -11.447 -0.401 1.00 0.00 C ATOM 1152 CG ASP X 71 8.813 -11.478 0.296 1.00 0.00 C ATOM 1153 OD1 ASP X 71 9.385 -12.588 0.441 1.00 0.00 O ATOM 1154 OD2 ASP X 71 9.305 -10.419 0.729 1.00 0.00 O ATOM 0 H ASP X 71 7.687 -10.204 -2.801 1.00 0.00 H new ATOM 0 HA ASP X 71 8.209 -12.879 -1.729 1.00 0.00 H new ATOM 0 HB2 ASP X 71 7.131 -10.415 -0.461 1.00 0.00 H new ATOM 0 HB3 ASP X 71 6.750 -11.993 0.200 1.00 0.00 H new ATOM 1159 N GLU X 72 5.954 -13.754 -2.364 1.00 0.00 N ATOM 1160 CA GLU X 72 4.726 -14.359 -2.917 1.00 0.00 C ATOM 1161 C GLU X 72 3.474 -14.018 -2.116 1.00 0.00 C ATOM 1162 O GLU X 72 2.358 -14.114 -2.619 1.00 0.00 O ATOM 1163 CB GLU X 72 4.877 -15.868 -2.937 1.00 0.00 C ATOM 1164 CG GLU X 72 6.061 -16.373 -3.727 1.00 0.00 C ATOM 1165 CD GLU X 72 6.193 -17.861 -3.614 1.00 0.00 C ATOM 1166 OE1 GLU X 72 5.589 -18.590 -4.426 1.00 0.00 O ATOM 1167 OE2 GLU X 72 6.876 -18.335 -2.681 1.00 0.00 O ATOM 0 H GLU X 72 6.656 -14.443 -2.096 1.00 0.00 H new ATOM 0 HA GLU X 72 4.601 -13.950 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU X 72 4.964 -16.225 -1.911 1.00 0.00 H new ATOM 0 HB3 GLU X 72 3.968 -16.305 -3.351 1.00 0.00 H new ATOM 0 HG2 GLU X 72 5.948 -16.094 -4.775 1.00 0.00 H new ATOM 0 HG3 GLU X 72 6.972 -15.896 -3.366 1.00 0.00 H new ATOM 1174 N ASN X 73 3.664 -13.610 -0.905 1.00 0.00 N ATOM 1175 CA ASN X 73 2.560 -13.375 0.009 1.00 0.00 C ATOM 1176 C ASN X 73 2.001 -11.975 -0.143 1.00 0.00 C ATOM 1177 O ASN X 73 0.867 -11.707 0.243 1.00 0.00 O ATOM 1178 CB ASN X 73 3.035 -13.560 1.454 1.00 0.00 C ATOM 1179 CG ASN X 73 3.690 -14.903 1.708 1.00 0.00 C ATOM 1180 OD1 ASN X 73 3.339 -15.923 1.108 1.00 0.00 O ATOM 1181 ND2 ASN X 73 4.671 -14.910 2.560 1.00 0.00 N ATOM 0 H ASN X 73 4.585 -13.426 -0.506 1.00 0.00 H new ATOM 0 HA ASN X 73 1.775 -14.093 -0.230 1.00 0.00 H new ATOM 0 HB2 ASN X 73 3.742 -12.768 1.700 1.00 0.00 H new ATOM 0 HB3 ASN X 73 2.184 -13.447 2.125 1.00 0.00 H new ATOM 0 HD21 ASN X 73 5.176 -15.776 2.749 1.00 0.00 H new ATOM 0 HD22 ASN X 73 4.936 -14.050 3.039 1.00 0.00 H new ATOM 1188 N PHE X 74 2.764 -11.090 -0.745 1.00 0.00 N ATOM 1189 CA PHE X 74 2.382 -9.704 -0.749 1.00 0.00 C ATOM 1190 C PHE X 74 1.945 -9.144 -2.083 1.00 0.00 C ATOM 1191 O PHE X 74 2.323 -9.616 -3.133 1.00 0.00 O ATOM 1192 CB PHE X 74 3.449 -8.829 -0.095 1.00 0.00 C ATOM 1193 CG PHE X 74 3.482 -8.964 1.397 1.00 0.00 C ATOM 1194 CD1 PHE X 74 4.196 -9.980 2.012 1.00 0.00 C ATOM 1195 CD2 PHE X 74 2.769 -8.081 2.183 1.00 0.00 C ATOM 1196 CE1 PHE X 74 4.190 -10.109 3.386 1.00 0.00 C ATOM 1197 CE2 PHE X 74 2.765 -8.200 3.550 1.00 0.00 C ATOM 1198 CZ PHE X 74 3.472 -9.214 4.157 1.00 0.00 C ATOM 0 H PHE X 74 3.636 -11.303 -1.229 1.00 0.00 H new ATOM 0 HA PHE X 74 1.476 -9.676 -0.143 1.00 0.00 H new ATOM 0 HB2 PHE X 74 4.426 -9.093 -0.500 1.00 0.00 H new ATOM 0 HB3 PHE X 74 3.267 -7.787 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE X 74 4.762 -10.677 1.411 1.00 0.00 H new ATOM 0 HD2 PHE X 74 2.207 -7.286 1.716 1.00 0.00 H new ATOM 0 HE1 PHE X 74 4.745 -10.907 3.858 1.00 0.00 H new ATOM 0 HE2 PHE X 74 2.207 -7.497 4.151 1.00 0.00 H new ATOM 0 HZ PHE X 74 3.466 -9.310 5.233 1.00 0.00 H new ATOM 1208 N THR X 75 1.207 -8.081 -1.957 1.00 0.00 N ATOM 1209 CA THR X 75 0.580 -7.273 -2.970 1.00 0.00 C ATOM 1210 C THR X 75 1.182 -5.870 -2.832 1.00 0.00 C ATOM 1211 O THR X 75 1.374 -5.396 -1.690 1.00 0.00 O ATOM 1212 CB THR X 75 -0.902 -7.237 -2.529 1.00 0.00 C ATOM 1213 OG1 THR X 75 -1.553 -8.492 -2.804 1.00 0.00 O ATOM 1214 CG2 THR X 75 -1.686 -6.087 -3.074 1.00 0.00 C ATOM 0 H THR X 75 1.004 -7.712 -1.028 1.00 0.00 H new ATOM 0 HA THR X 75 0.703 -7.630 -3.992 1.00 0.00 H new ATOM 0 HB THR X 75 -0.879 -7.076 -1.451 1.00 0.00 H new ATOM 0 HG1 THR X 75 -1.137 -8.912 -3.586 1.00 0.00 H new ATOM 0 HG21 THR X 75 -2.713 -6.143 -2.713 1.00 0.00 H new ATOM 0 HG22 THR X 75 -1.236 -5.151 -2.744 1.00 0.00 H new ATOM 0 HG23 THR X 75 -1.682 -6.127 -4.163 1.00 0.00 H new ATOM 1222 N GLU X 76 1.567 -5.218 -3.939 1.00 0.00 N ATOM 1223 CA GLU X 76 2.144 -3.907 -3.804 1.00 0.00 C ATOM 1224 C GLU X 76 1.359 -2.875 -4.541 1.00 0.00 C ATOM 1225 O GLU X 76 1.235 -2.931 -5.772 1.00 0.00 O ATOM 1226 CB GLU X 76 3.569 -3.932 -4.261 1.00 0.00 C ATOM 1227 CG GLU X 76 4.268 -2.613 -4.239 1.00 0.00 C ATOM 1228 CD GLU X 76 5.717 -2.844 -4.217 1.00 0.00 C ATOM 1229 OE1 GLU X 76 6.161 -3.439 -3.231 1.00 0.00 O ATOM 1230 OE2 GLU X 76 6.407 -2.511 -5.181 1.00 0.00 O ATOM 0 H GLU X 76 1.488 -5.572 -4.892 1.00 0.00 H new ATOM 0 HA GLU X 76 2.115 -3.629 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU X 76 4.123 -4.629 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU X 76 3.601 -4.325 -5.277 1.00 0.00 H new ATOM 0 HG2 GLU X 76 3.993 -2.026 -5.115 1.00 0.00 H new ATOM 0 HG3 GLU X 76 3.964 -2.040 -3.363 1.00 0.00 H new ATOM 1237 N ASN X 77 0.894 -1.894 -3.808 1.00 0.00 N ATOM 1238 CA ASN X 77 0.047 -0.906 -4.380 1.00 0.00 C ATOM 1239 C ASN X 77 0.304 0.463 -3.789 1.00 0.00 C ATOM 1240 O ASN X 77 0.339 0.635 -2.562 1.00 0.00 O ATOM 1241 CB ASN X 77 -1.430 -1.382 -4.335 1.00 0.00 C ATOM 1242 CG ASN X 77 -1.938 -1.906 -2.982 1.00 0.00 C ATOM 1243 OD1 ASN X 77 -1.460 -1.395 -1.886 1.00 0.00 O flip ATOM 1244 ND2 ASN X 77 -2.775 -2.797 -2.949 1.00 0.00 N flip ATOM 0 H ASN X 77 1.094 -1.768 -2.816 1.00 0.00 H new ATOM 0 HA ASN X 77 0.286 -0.782 -5.436 1.00 0.00 H new ATOM 0 HB2 ASN X 77 -2.066 -0.551 -4.640 1.00 0.00 H new ATOM 0 HB3 ASN X 77 -1.558 -2.171 -5.077 1.00 0.00 H new ATOM 0 HD21 ASN X 77 -3.140 -3.187 -3.818 1.00 0.00 H new ATOM 0 HD22 ASN X 77 -3.109 -3.150 -2.052 1.00 0.00 H new ATOM 1251 N TYR X 78 0.544 1.417 -4.649 1.00 0.00 N ATOM 1252 CA TYR X 78 0.864 2.768 -4.223 1.00 0.00 C ATOM 1253 C TYR X 78 -0.196 3.778 -4.687 1.00 0.00 C ATOM 1254 O TYR X 78 -0.708 3.697 -5.810 1.00 0.00 O ATOM 1255 CB TYR X 78 2.351 3.178 -4.590 1.00 0.00 C ATOM 1256 CG TYR X 78 2.788 3.152 -6.065 1.00 0.00 C ATOM 1257 CD1 TYR X 78 1.960 2.719 -7.095 1.00 0.00 C ATOM 1258 CD2 TYR X 78 4.073 3.558 -6.403 1.00 0.00 C ATOM 1259 CE1 TYR X 78 2.396 2.692 -8.404 1.00 0.00 C ATOM 1260 CE2 TYR X 78 4.516 3.531 -7.709 1.00 0.00 C ATOM 1261 CZ TYR X 78 3.677 3.097 -8.703 1.00 0.00 C ATOM 1262 OH TYR X 78 4.119 3.062 -10.006 1.00 0.00 O ATOM 0 H TYR X 78 0.525 1.288 -5.661 1.00 0.00 H new ATOM 0 HA TYR X 78 0.828 2.787 -3.134 1.00 0.00 H new ATOM 0 HB2 TYR X 78 2.516 4.188 -4.215 1.00 0.00 H new ATOM 0 HB3 TYR X 78 3.020 2.519 -4.037 1.00 0.00 H new ATOM 0 HD1 TYR X 78 0.955 2.397 -6.866 1.00 0.00 H new ATOM 0 HD2 TYR X 78 4.740 3.902 -5.626 1.00 0.00 H new ATOM 0 HE1 TYR X 78 1.736 2.355 -9.189 1.00 0.00 H new ATOM 0 HE2 TYR X 78 5.520 3.850 -7.948 1.00 0.00 H new ATOM 0 HH TYR X 78 5.045 3.381 -10.046 1.00 0.00 H new ATOM 1272 N LEU X 79 -0.550 4.678 -3.800 1.00 0.00 N ATOM 1273 CA LEU X 79 -1.564 5.691 -4.045 1.00 0.00 C ATOM 1274 C LEU X 79 -0.995 6.863 -4.816 1.00 0.00 C ATOM 1275 O LEU X 79 -0.168 7.621 -4.307 1.00 0.00 O ATOM 1276 CB LEU X 79 -2.168 6.183 -2.720 1.00 0.00 C ATOM 1277 CG LEU X 79 -3.056 7.437 -2.811 1.00 0.00 C ATOM 1278 CD1 LEU X 79 -4.270 7.194 -3.662 1.00 0.00 C ATOM 1279 CD2 LEU X 79 -3.454 7.934 -1.438 1.00 0.00 C ATOM 0 H LEU X 79 -0.137 4.732 -2.869 1.00 0.00 H new ATOM 0 HA LEU X 79 -2.349 5.232 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU X 79 -2.758 5.374 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU X 79 -1.353 6.388 -2.025 1.00 0.00 H new ATOM 0 HG LEU X 79 -2.463 8.215 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU X 79 -4.873 8.101 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU X 79 -3.959 6.919 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU X 79 -4.860 6.385 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU X 79 -4.080 8.820 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU X 79 -4.009 7.155 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU X 79 -2.559 8.185 -0.869 1.00 0.00 H new