USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 470 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 60 ASN : amide:sc= -0.663 X(o=-1.8,f=-2.3!) USER MOD Set 1.2: A 62 THR OG1 : rot 157:sc= -0.168 USER MOD Set 1.3: A 63 THR OG1 : rot -177:sc= -0.981 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 8 TYR OH : rot -122:sc= 0.41 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 152:sc= 0.116 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= -0.0535 (180deg=-0.359) USER MOD Single : A 25 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-3.4!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0554 X(o=-0.055,f=-0.31) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.22 K(o=-2.2,f=-0.32) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -137:sc= -1.83 USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 6 5.164 -5.476 -14.042 1.00 0.00 N ATOM 82 CA TYR A 6 3.916 -5.074 -14.784 1.00 0.00 C ATOM 83 C TYR A 6 3.712 -3.579 -14.535 1.00 0.00 C ATOM 84 O TYR A 6 4.242 -3.034 -13.585 1.00 0.00 O ATOM 85 CB TYR A 6 2.661 -5.875 -14.260 1.00 0.00 C ATOM 86 CG TYR A 6 3.018 -7.096 -13.383 1.00 0.00 C ATOM 87 CD1 TYR A 6 3.911 -8.057 -13.823 1.00 0.00 C ATOM 88 CD2 TYR A 6 2.443 -7.251 -12.135 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.222 -9.142 -13.036 1.00 0.00 C ATOM 90 CE2 TYR A 6 2.753 -8.339 -11.348 1.00 0.00 C ATOM 91 CZ TYR A 6 3.642 -9.289 -11.791 1.00 0.00 C ATOM 92 OH TYR A 6 3.926 -10.368 -10.983 1.00 0.00 O ATOM 0 HA TYR A 6 4.024 -5.293 -15.846 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.026 -5.201 -13.685 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.075 -6.213 -15.115 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.369 -7.954 -14.796 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.744 -6.512 -11.773 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.923 -9.882 -13.393 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.294 -8.446 -10.376 1.00 0.00 H new ATOM 0 HH TYR A 6 3.421 -10.292 -10.147 1.00 0.00 H new ATOM 102 N GLN A 7 2.948 -2.963 -15.400 1.00 0.00 N ATOM 103 CA GLN A 7 2.712 -1.491 -15.285 1.00 0.00 C ATOM 104 C GLN A 7 1.234 -1.146 -15.434 1.00 0.00 C ATOM 105 O GLN A 7 0.446 -1.912 -15.958 1.00 0.00 O ATOM 106 CB GLN A 7 3.529 -0.761 -16.373 1.00 0.00 C ATOM 107 CG GLN A 7 5.002 -0.633 -15.929 1.00 0.00 C ATOM 108 CD GLN A 7 5.874 -0.095 -17.077 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.403 0.382 -18.092 1.00 0.00 O ATOM 110 NE2 GLN A 7 7.169 -0.155 -16.948 1.00 0.00 N ATOM 0 H GLN A 7 2.476 -3.416 -16.183 1.00 0.00 H new ATOM 0 HA GLN A 7 3.030 -1.169 -14.293 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.470 -1.309 -17.313 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.108 0.228 -16.554 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.071 0.035 -15.070 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.375 -1.605 -15.608 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.579 -0.552 -16.103 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.772 0.195 -17.692 1.00 0.00 H new ATOM 119 N TYR A 8 0.930 0.029 -14.946 1.00 0.00 N ATOM 120 CA TYR A 8 -0.469 0.544 -14.932 1.00 0.00 C ATOM 121 C TYR A 8 -0.434 2.023 -15.326 1.00 0.00 C ATOM 122 O TYR A 8 0.604 2.656 -15.268 1.00 0.00 O ATOM 123 CB TYR A 8 -1.059 0.392 -13.515 1.00 0.00 C ATOM 124 CG TYR A 8 -1.185 -1.098 -13.154 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.072 -1.824 -12.769 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.409 -1.734 -13.211 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.180 -3.158 -12.449 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.517 -3.071 -12.890 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.405 -3.793 -12.509 1.00 0.00 C ATOM 130 OH TYR A 8 -1.520 -5.132 -12.193 1.00 0.00 O ATOM 0 H TYR A 8 1.615 0.670 -14.545 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.090 -0.016 -15.631 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.421 0.897 -12.790 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.037 0.870 -13.466 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.892 -1.339 -12.719 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.288 -1.181 -13.509 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.698 -3.711 -12.149 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.480 -3.557 -12.937 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.891 -5.618 -12.959 1.00 0.00 H new ATOM 140 N ARG A 9 -1.579 2.520 -15.714 1.00 0.00 N ATOM 141 CA ARG A 9 -1.698 3.946 -16.143 1.00 0.00 C ATOM 142 C ARG A 9 -2.802 4.613 -15.327 1.00 0.00 C ATOM 143 O ARG A 9 -3.965 4.282 -15.459 1.00 0.00 O ATOM 144 CB ARG A 9 -2.031 3.989 -17.658 1.00 0.00 C ATOM 145 CG ARG A 9 -0.896 4.725 -18.405 1.00 0.00 C ATOM 146 CD ARG A 9 -1.262 4.884 -19.893 1.00 0.00 C ATOM 147 NE ARG A 9 -2.132 6.088 -20.042 1.00 0.00 N ATOM 148 CZ ARG A 9 -2.494 6.486 -21.232 1.00 0.00 C ATOM 149 NH1 ARG A 9 -1.633 7.122 -21.979 1.00 0.00 N ATOM 150 NH2 ARG A 9 -3.708 6.236 -21.639 1.00 0.00 N ATOM 0 H ARG A 9 -2.450 1.991 -15.752 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.763 4.480 -15.975 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.143 2.977 -18.047 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.980 4.499 -17.820 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.729 5.704 -17.956 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.036 4.167 -18.309 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.360 4.992 -20.495 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.781 3.995 -20.252 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.443 6.599 -19.216 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.691 7.302 -21.631 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.902 7.439 -22.911 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.357 5.737 -21.031 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.008 6.539 -22.565 1.00 0.00 H new ATOM 164 N ALA A 10 -2.387 5.539 -14.501 1.00 0.00 N ATOM 165 CA ALA A 10 -3.358 6.431 -13.791 1.00 0.00 C ATOM 166 C ALA A 10 -4.302 7.137 -14.786 1.00 0.00 C ATOM 167 O ALA A 10 -3.893 8.016 -15.522 1.00 0.00 O ATOM 168 CB ALA A 10 -2.559 7.476 -12.973 1.00 0.00 C ATOM 0 H ALA A 10 -1.406 5.718 -14.285 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.978 5.828 -13.127 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.252 8.135 -12.449 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.926 6.964 -12.248 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.936 8.066 -13.646 1.00 0.00 H new ATOM 174 N LEU A 11 -5.543 6.711 -14.766 1.00 0.00 N ATOM 175 CA LEU A 11 -6.575 7.255 -15.709 1.00 0.00 C ATOM 176 C LEU A 11 -7.300 8.460 -15.100 1.00 0.00 C ATOM 177 O LEU A 11 -7.979 9.190 -15.796 1.00 0.00 O ATOM 178 CB LEU A 11 -7.603 6.140 -16.034 1.00 0.00 C ATOM 179 CG LEU A 11 -7.800 6.053 -17.572 1.00 0.00 C ATOM 180 CD1 LEU A 11 -6.495 5.497 -18.229 1.00 0.00 C ATOM 181 CD2 LEU A 11 -9.013 5.136 -17.892 1.00 0.00 C ATOM 0 H LEU A 11 -5.891 5.997 -14.126 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.075 7.584 -16.620 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.253 5.183 -15.646 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.554 6.353 -15.546 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.002 7.044 -17.978 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.629 5.434 -19.309 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.662 6.164 -18.005 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.282 4.505 -17.832 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.149 5.077 -18.972 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.830 4.138 -17.494 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.912 5.549 -17.435 1.00 0.00 H new ATOM 193 N TYR A 12 -7.128 8.619 -13.812 1.00 0.00 N ATOM 194 CA TYR A 12 -7.786 9.739 -13.071 1.00 0.00 C ATOM 195 C TYR A 12 -6.809 10.375 -12.082 1.00 0.00 C ATOM 196 O TYR A 12 -6.024 9.690 -11.450 1.00 0.00 O ATOM 197 CB TYR A 12 -9.016 9.178 -12.327 1.00 0.00 C ATOM 198 CG TYR A 12 -10.296 9.753 -12.948 1.00 0.00 C ATOM 199 CD1 TYR A 12 -10.818 9.216 -14.110 1.00 0.00 C ATOM 200 CD2 TYR A 12 -10.943 10.815 -12.349 1.00 0.00 C ATOM 201 CE1 TYR A 12 -11.971 9.734 -14.661 1.00 0.00 C ATOM 202 CE2 TYR A 12 -12.095 11.332 -12.899 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.618 10.797 -14.059 1.00 0.00 C ATOM 204 OH TYR A 12 -13.773 11.316 -14.605 1.00 0.00 O ATOM 0 H TYR A 12 -6.550 8.010 -13.233 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.099 10.511 -13.774 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.026 8.090 -12.388 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -8.964 9.437 -11.270 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.320 8.386 -14.589 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.543 11.244 -11.442 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.371 9.307 -15.569 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.593 12.162 -12.419 1.00 0.00 H new ATOM 0 HH TYR A 12 -14.092 12.058 -14.050 1.00 0.00 H new ATOM 214 N ASP A 13 -6.899 11.677 -11.985 1.00 0.00 N ATOM 215 CA ASP A 13 -6.145 12.432 -10.940 1.00 0.00 C ATOM 216 C ASP A 13 -6.845 12.293 -9.575 1.00 0.00 C ATOM 217 O ASP A 13 -7.958 12.754 -9.401 1.00 0.00 O ATOM 218 CB ASP A 13 -6.071 13.912 -11.382 1.00 0.00 C ATOM 219 CG ASP A 13 -5.620 14.792 -10.198 1.00 0.00 C ATOM 220 OD1 ASP A 13 -4.433 14.762 -9.916 1.00 0.00 O ATOM 221 OD2 ASP A 13 -6.488 15.440 -9.639 1.00 0.00 O ATOM 0 H ASP A 13 -7.473 12.258 -12.596 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.137 12.032 -10.830 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.372 14.018 -12.212 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.046 14.242 -11.741 1.00 0.00 H new ATOM 226 N TYR A 14 -6.157 11.659 -8.659 1.00 0.00 N ATOM 227 CA TYR A 14 -6.652 11.490 -7.256 1.00 0.00 C ATOM 228 C TYR A 14 -5.588 12.012 -6.282 1.00 0.00 C ATOM 229 O TYR A 14 -4.416 11.738 -6.447 1.00 0.00 O ATOM 230 CB TYR A 14 -6.936 9.983 -7.062 1.00 0.00 C ATOM 231 CG TYR A 14 -6.940 9.532 -5.584 1.00 0.00 C ATOM 232 CD1 TYR A 14 -8.075 9.639 -4.805 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.797 8.995 -5.019 1.00 0.00 C ATOM 234 CE1 TYR A 14 -8.068 9.217 -3.490 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.787 8.570 -3.705 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.925 8.678 -2.930 1.00 0.00 C ATOM 237 OH TYR A 14 -6.915 8.255 -1.616 1.00 0.00 O ATOM 0 H TYR A 14 -5.244 11.238 -8.831 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.564 12.056 -7.064 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.902 9.745 -7.507 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.185 9.409 -7.605 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.977 10.057 -5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.900 8.907 -5.614 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.964 9.309 -2.894 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.886 8.152 -3.282 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.256 7.538 -1.508 1.00 0.00 H new ATOM 247 N LYS A 15 -6.031 12.747 -5.294 1.00 0.00 N ATOM 248 CA LYS A 15 -5.108 13.246 -4.225 1.00 0.00 C ATOM 249 C LYS A 15 -5.055 12.209 -3.100 1.00 0.00 C ATOM 250 O LYS A 15 -5.918 11.357 -3.016 1.00 0.00 O ATOM 251 CB LYS A 15 -5.644 14.591 -3.684 1.00 0.00 C ATOM 252 CG LYS A 15 -4.558 15.689 -3.760 1.00 0.00 C ATOM 253 CD LYS A 15 -5.009 16.939 -2.958 1.00 0.00 C ATOM 254 CE LYS A 15 -6.373 17.464 -3.474 1.00 0.00 C ATOM 255 NZ LYS A 15 -6.552 18.897 -3.102 1.00 0.00 N ATOM 0 H LYS A 15 -7.005 13.027 -5.180 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.106 13.397 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.517 14.897 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.971 14.468 -2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.618 15.310 -3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.376 15.960 -4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.088 16.688 -1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.257 17.723 -3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.427 17.353 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.182 16.868 -3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.470 19.235 -3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.522 18.993 -2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.789 19.463 -3.525 1.00 0.00 H new ATOM 269 N LYS A 16 -4.058 12.320 -2.263 1.00 0.00 N ATOM 270 CA LYS A 16 -3.876 11.330 -1.148 1.00 0.00 C ATOM 271 C LYS A 16 -4.651 11.803 0.089 1.00 0.00 C ATOM 272 O LYS A 16 -4.678 12.980 0.395 1.00 0.00 O ATOM 273 CB LYS A 16 -2.374 11.208 -0.795 1.00 0.00 C ATOM 274 CG LYS A 16 -1.717 12.612 -0.723 1.00 0.00 C ATOM 275 CD LYS A 16 -0.380 12.552 0.046 1.00 0.00 C ATOM 276 CE LYS A 16 0.310 13.937 0.004 1.00 0.00 C ATOM 277 NZ LYS A 16 -0.596 14.998 0.534 1.00 0.00 N ATOM 0 H LYS A 16 -3.354 13.057 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.252 10.358 -1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.259 10.697 0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.866 10.600 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.546 12.990 -1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.394 13.311 -0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.557 12.255 1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.271 11.797 -0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.227 13.909 0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.595 14.175 -1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.045 15.857 0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.328 15.214 -0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.048 14.664 1.409 1.00 0.00 H new ATOM 291 N GLU A 17 -5.259 10.861 0.765 1.00 0.00 N ATOM 292 CA GLU A 17 -6.063 11.189 1.986 1.00 0.00 C ATOM 293 C GLU A 17 -5.170 11.140 3.230 1.00 0.00 C ATOM 294 O GLU A 17 -5.443 11.779 4.227 1.00 0.00 O ATOM 295 CB GLU A 17 -7.216 10.165 2.108 1.00 0.00 C ATOM 296 CG GLU A 17 -8.579 10.861 1.857 1.00 0.00 C ATOM 297 CD GLU A 17 -9.774 9.869 1.922 1.00 0.00 C ATOM 298 OE1 GLU A 17 -9.590 8.714 2.284 1.00 0.00 O ATOM 299 OE2 GLU A 17 -10.848 10.346 1.590 1.00 0.00 O ATOM 0 H GLU A 17 -5.234 9.871 0.523 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.475 12.195 1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.073 9.358 1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.207 9.713 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.723 11.648 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.563 11.342 0.879 1.00 0.00 H new ATOM 306 N ARG A 18 -4.127 10.366 3.108 1.00 0.00 N ATOM 307 CA ARG A 18 -3.168 10.155 4.233 1.00 0.00 C ATOM 308 C ARG A 18 -1.762 9.875 3.690 1.00 0.00 C ATOM 309 O ARG A 18 -1.590 9.531 2.537 1.00 0.00 O ATOM 310 CB ARG A 18 -3.657 8.963 5.089 1.00 0.00 C ATOM 311 CG ARG A 18 -3.873 7.713 4.196 1.00 0.00 C ATOM 312 CD ARG A 18 -4.383 6.541 5.050 1.00 0.00 C ATOM 313 NE ARG A 18 -3.479 6.371 6.227 1.00 0.00 N ATOM 314 CZ ARG A 18 -3.961 5.925 7.356 1.00 0.00 C ATOM 315 NH1 ARG A 18 -4.036 4.637 7.544 1.00 0.00 N ATOM 316 NH2 ARG A 18 -4.350 6.781 8.259 1.00 0.00 N ATOM 0 H ARG A 18 -3.893 9.858 2.255 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.122 11.054 4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.926 8.741 5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.588 9.225 5.592 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.591 7.939 3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.938 7.438 3.708 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.403 6.733 5.383 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.408 5.626 4.458 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.489 6.602 6.149 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.721 3.996 6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.410 4.270 8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.276 7.782 8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.729 6.450 9.146 1.00 0.00 H new ATOM 330 N GLU A 19 -0.807 10.040 4.568 1.00 0.00 N ATOM 331 CA GLU A 19 0.622 9.691 4.282 1.00 0.00 C ATOM 332 C GLU A 19 0.840 8.260 3.760 1.00 0.00 C ATOM 333 O GLU A 19 1.896 7.948 3.243 1.00 0.00 O ATOM 334 CB GLU A 19 1.450 9.898 5.576 1.00 0.00 C ATOM 335 CG GLU A 19 0.772 9.198 6.778 1.00 0.00 C ATOM 336 CD GLU A 19 -0.080 10.213 7.572 1.00 0.00 C ATOM 337 OE1 GLU A 19 0.526 11.062 8.207 1.00 0.00 O ATOM 338 OE2 GLU A 19 -1.292 10.083 7.501 1.00 0.00 O ATOM 0 H GLU A 19 -0.962 10.415 5.504 1.00 0.00 H new ATOM 0 HA GLU A 19 0.947 10.351 3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.456 9.501 5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.554 10.964 5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.143 8.381 6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.529 8.760 7.428 1.00 0.00 H new ATOM 345 N GLU A 20 -0.164 7.435 3.911 1.00 0.00 N ATOM 346 CA GLU A 20 -0.091 6.029 3.400 1.00 0.00 C ATOM 347 C GLU A 20 -0.268 5.994 1.871 1.00 0.00 C ATOM 348 O GLU A 20 0.438 5.280 1.186 1.00 0.00 O ATOM 349 CB GLU A 20 -1.198 5.190 4.069 1.00 0.00 C ATOM 350 CG GLU A 20 -0.835 3.686 4.000 1.00 0.00 C ATOM 351 CD GLU A 20 -2.101 2.886 3.636 1.00 0.00 C ATOM 352 OE1 GLU A 20 -2.379 2.829 2.446 1.00 0.00 O ATOM 353 OE2 GLU A 20 -2.713 2.380 4.564 1.00 0.00 O ATOM 0 H GLU A 20 -1.042 7.676 4.371 1.00 0.00 H new ATOM 0 HA GLU A 20 0.888 5.616 3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.320 5.496 5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.151 5.366 3.570 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.056 3.519 3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.438 3.349 4.958 1.00 0.00 H new ATOM 360 N ASP A 21 -1.210 6.769 1.393 1.00 0.00 N ATOM 361 CA ASP A 21 -1.452 6.876 -0.081 1.00 0.00 C ATOM 362 C ASP A 21 -0.593 7.990 -0.676 1.00 0.00 C ATOM 363 O ASP A 21 -0.338 8.991 -0.034 1.00 0.00 O ATOM 364 CB ASP A 21 -2.946 7.174 -0.306 1.00 0.00 C ATOM 365 CG ASP A 21 -3.776 5.868 -0.383 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.398 4.880 0.235 1.00 0.00 O ATOM 367 OD2 ASP A 21 -4.774 5.949 -1.080 1.00 0.00 O ATOM 0 H ASP A 21 -1.830 7.340 1.968 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.182 5.942 -0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.321 7.798 0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.071 7.741 -1.228 1.00 0.00 H new ATOM 372 N ILE A 22 -0.177 7.770 -1.897 1.00 0.00 N ATOM 373 CA ILE A 22 0.596 8.805 -2.651 1.00 0.00 C ATOM 374 C ILE A 22 -0.312 9.579 -3.611 1.00 0.00 C ATOM 375 O ILE A 22 -1.470 9.251 -3.791 1.00 0.00 O ATOM 376 CB ILE A 22 1.731 8.103 -3.441 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.181 6.835 -4.185 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.850 7.693 -2.449 1.00 0.00 C ATOM 379 CD1 ILE A 22 1.925 6.615 -5.514 1.00 0.00 C ATOM 0 H ILE A 22 -0.342 6.905 -2.411 1.00 0.00 H new ATOM 0 HA ILE A 22 1.018 9.519 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 22 2.130 8.789 -4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.295 5.957 -3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.114 6.954 -4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.655 7.198 -2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.240 8.582 -1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.443 7.011 -1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.527 5.731 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.788 7.485 -6.156 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.988 6.473 -5.317 1.00 0.00 H new ATOM 391 N ASP A 23 0.272 10.591 -4.196 1.00 0.00 N ATOM 392 CA ASP A 23 -0.485 11.492 -5.116 1.00 0.00 C ATOM 393 C ASP A 23 -0.610 10.807 -6.478 1.00 0.00 C ATOM 394 O ASP A 23 0.318 10.173 -6.941 1.00 0.00 O ATOM 395 CB ASP A 23 0.277 12.814 -5.266 1.00 0.00 C ATOM 396 CG ASP A 23 0.405 13.474 -3.882 1.00 0.00 C ATOM 397 OD1 ASP A 23 1.363 13.132 -3.205 1.00 0.00 O ATOM 398 OD2 ASP A 23 -0.463 14.279 -3.582 1.00 0.00 O ATOM 0 H ASP A 23 1.255 10.835 -4.074 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.478 11.695 -4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.265 12.634 -5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.249 13.477 -5.953 1.00 0.00 H new ATOM 403 N LEU A 24 -1.767 10.965 -7.068 1.00 0.00 N ATOM 404 CA LEU A 24 -2.051 10.374 -8.412 1.00 0.00 C ATOM 405 C LEU A 24 -2.531 11.473 -9.354 1.00 0.00 C ATOM 406 O LEU A 24 -3.303 12.332 -8.972 1.00 0.00 O ATOM 407 CB LEU A 24 -3.154 9.292 -8.300 1.00 0.00 C ATOM 408 CG LEU A 24 -2.750 8.157 -7.314 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.891 7.091 -7.262 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.415 7.475 -7.758 1.00 0.00 C ATOM 0 H LEU A 24 -2.544 11.490 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.139 9.919 -8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.083 9.753 -7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.348 8.867 -9.285 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.598 8.592 -6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.613 6.294 -6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.813 7.561 -6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.044 6.673 -8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.157 6.686 -7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.539 7.045 -8.752 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.617 8.217 -7.781 1.00 0.00 H new ATOM 422 N HIS A 25 -2.042 11.395 -10.563 1.00 0.00 N ATOM 423 CA HIS A 25 -2.258 12.482 -11.569 1.00 0.00 C ATOM 424 C HIS A 25 -2.860 11.849 -12.831 1.00 0.00 C ATOM 425 O HIS A 25 -3.486 10.811 -12.749 1.00 0.00 O ATOM 426 CB HIS A 25 -0.893 13.175 -11.891 1.00 0.00 C ATOM 427 CG HIS A 25 -0.011 13.323 -10.640 1.00 0.00 C ATOM 428 ND1 HIS A 25 0.426 12.351 -9.904 1.00 0.00 N ATOM 429 CD2 HIS A 25 0.503 14.460 -10.032 1.00 0.00 C ATOM 430 CE1 HIS A 25 1.142 12.821 -8.933 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.217 14.127 -8.971 1.00 0.00 N ATOM 0 H HIS A 25 -1.490 10.608 -10.905 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.939 13.240 -11.181 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.360 12.593 -12.643 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.079 14.159 -12.322 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.343 15.471 -10.376 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.620 12.209 -8.182 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.713 14.746 -8.329 1.00 0.00 H new ATOM 439 N LEU A 26 -2.660 12.490 -13.955 1.00 0.00 N ATOM 440 CA LEU A 26 -3.102 11.922 -15.270 1.00 0.00 C ATOM 441 C LEU A 26 -1.904 11.415 -16.084 1.00 0.00 C ATOM 442 O LEU A 26 -0.837 11.995 -16.043 1.00 0.00 O ATOM 443 CB LEU A 26 -3.850 13.031 -16.036 1.00 0.00 C ATOM 444 CG LEU A 26 -5.249 13.272 -15.368 1.00 0.00 C ATOM 445 CD1 LEU A 26 -5.676 14.766 -15.524 1.00 0.00 C ATOM 446 CD2 LEU A 26 -6.315 12.330 -16.014 1.00 0.00 C ATOM 0 H LEU A 26 -2.201 13.399 -14.020 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.758 11.068 -15.103 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.267 13.952 -16.027 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.977 12.745 -17.080 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.176 13.045 -14.304 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.649 14.917 -15.056 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.938 15.408 -15.043 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.740 15.017 -16.583 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.284 12.502 -15.546 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.386 12.538 -17.082 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.020 11.291 -15.866 1.00 0.00 H new ATOM 458 N GLY A 27 -2.124 10.336 -16.800 1.00 0.00 N ATOM 459 CA GLY A 27 -1.059 9.742 -17.678 1.00 0.00 C ATOM 460 C GLY A 27 0.190 9.319 -16.890 1.00 0.00 C ATOM 461 O GLY A 27 1.184 8.935 -17.473 1.00 0.00 O ATOM 0 H GLY A 27 -3.011 9.833 -16.814 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.465 8.876 -18.200 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.775 10.468 -18.440 1.00 0.00 H new ATOM 465 N ASP A 28 0.095 9.407 -15.586 1.00 0.00 N ATOM 466 CA ASP A 28 1.177 8.901 -14.692 1.00 0.00 C ATOM 467 C ASP A 28 1.246 7.377 -14.746 1.00 0.00 C ATOM 468 O ASP A 28 0.232 6.715 -14.863 1.00 0.00 O ATOM 469 CB ASP A 28 0.873 9.390 -13.259 1.00 0.00 C ATOM 470 CG ASP A 28 1.534 10.766 -13.016 1.00 0.00 C ATOM 471 OD1 ASP A 28 1.459 11.597 -13.911 1.00 0.00 O ATOM 472 OD2 ASP A 28 2.081 10.915 -11.937 1.00 0.00 O ATOM 0 H ASP A 28 -0.702 9.816 -15.097 1.00 0.00 H new ATOM 0 HA ASP A 28 2.146 9.280 -15.016 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.205 9.465 -13.113 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.244 8.666 -12.533 1.00 0.00 H new ATOM 477 N ILE A 29 2.453 6.878 -14.661 1.00 0.00 N ATOM 478 CA ILE A 29 2.695 5.406 -14.748 1.00 0.00 C ATOM 479 C ILE A 29 3.092 4.915 -13.367 1.00 0.00 C ATOM 480 O ILE A 29 3.731 5.618 -12.606 1.00 0.00 O ATOM 481 CB ILE A 29 3.831 5.157 -15.813 1.00 0.00 C ATOM 482 CG1 ILE A 29 3.152 4.863 -17.169 1.00 0.00 C ATOM 483 CG2 ILE A 29 4.810 3.969 -15.473 1.00 0.00 C ATOM 484 CD1 ILE A 29 2.522 6.155 -17.751 1.00 0.00 C ATOM 0 H ILE A 29 3.295 7.439 -14.533 1.00 0.00 H new ATOM 0 HA ILE A 29 1.806 4.860 -15.065 1.00 0.00 H new ATOM 0 HB ILE A 29 4.447 6.056 -15.828 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.884 4.461 -17.869 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.382 4.102 -17.040 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.556 3.875 -16.262 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.308 4.168 -14.524 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.243 3.041 -15.397 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.048 5.930 -18.706 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.775 6.540 -17.057 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.300 6.904 -17.899 1.00 0.00 H new ATOM 496 N LEU A 30 2.686 3.701 -13.101 1.00 0.00 N ATOM 497 CA LEU A 30 3.138 3.005 -11.868 1.00 0.00 C ATOM 498 C LEU A 30 3.699 1.618 -12.202 1.00 0.00 C ATOM 499 O LEU A 30 3.055 0.845 -12.888 1.00 0.00 O ATOM 500 CB LEU A 30 1.929 2.879 -10.908 1.00 0.00 C ATOM 501 CG LEU A 30 1.502 4.288 -10.363 1.00 0.00 C ATOM 502 CD1 LEU A 30 0.642 5.054 -11.429 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.697 4.126 -9.037 1.00 0.00 C ATOM 0 H LEU A 30 2.055 3.160 -13.693 1.00 0.00 H new ATOM 0 HA LEU A 30 3.934 3.579 -11.394 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.091 2.416 -11.430 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.187 2.225 -10.075 1.00 0.00 H new ATOM 0 HG LEU A 30 2.401 4.871 -10.163 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.355 6.028 -11.033 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.227 5.190 -12.339 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.254 4.477 -11.656 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.405 5.109 -8.666 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.195 3.529 -9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.318 3.627 -8.293 1.00 0.00 H new ATOM 515 N THR A 31 4.883 1.353 -11.704 1.00 0.00 N ATOM 516 CA THR A 31 5.563 0.042 -11.971 1.00 0.00 C ATOM 517 C THR A 31 5.517 -0.817 -10.707 1.00 0.00 C ATOM 518 O THR A 31 5.464 -0.290 -9.612 1.00 0.00 O ATOM 519 CB THR A 31 7.029 0.306 -12.385 1.00 0.00 C ATOM 520 OG1 THR A 31 6.954 1.094 -13.569 1.00 0.00 O ATOM 521 CG2 THR A 31 7.741 -1.003 -12.837 1.00 0.00 C ATOM 0 H THR A 31 5.415 1.996 -11.117 1.00 0.00 H new ATOM 0 HA THR A 31 5.054 -0.486 -12.777 1.00 0.00 H new ATOM 0 HB THR A 31 7.562 0.755 -11.547 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.859 1.298 -13.884 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.769 -0.779 -13.121 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.739 -1.720 -12.016 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.214 -1.428 -13.691 1.00 0.00 H new ATOM 529 N VAL A 32 5.535 -2.114 -10.898 1.00 0.00 N ATOM 530 CA VAL A 32 5.475 -3.067 -9.746 1.00 0.00 C ATOM 531 C VAL A 32 6.578 -4.127 -9.911 1.00 0.00 C ATOM 532 O VAL A 32 7.409 -4.043 -10.796 1.00 0.00 O ATOM 533 CB VAL A 32 4.045 -3.784 -9.688 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.444 -3.650 -8.248 1.00 0.00 C ATOM 535 CG2 VAL A 32 3.009 -3.272 -10.753 1.00 0.00 C ATOM 0 H VAL A 32 5.589 -2.558 -11.815 1.00 0.00 H new ATOM 0 HA VAL A 32 5.625 -2.515 -8.818 1.00 0.00 H new ATOM 0 HB VAL A 32 4.227 -4.829 -9.938 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.471 -4.139 -8.213 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.114 -4.122 -7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.329 -2.595 -7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.071 -3.814 -10.638 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.833 -2.206 -10.606 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.404 -3.440 -11.755 1.00 0.00 H new ATOM 545 N ASN A 33 6.540 -5.097 -9.032 1.00 0.00 N ATOM 546 CA ASN A 33 7.560 -6.185 -9.032 1.00 0.00 C ATOM 547 C ASN A 33 7.245 -7.256 -10.079 1.00 0.00 C ATOM 548 O ASN A 33 6.134 -7.374 -10.557 1.00 0.00 O ATOM 549 CB ASN A 33 7.611 -6.791 -7.595 1.00 0.00 C ATOM 550 CG ASN A 33 8.751 -6.109 -6.817 1.00 0.00 C ATOM 551 OD1 ASN A 33 9.874 -6.025 -7.272 1.00 0.00 O ATOM 552 ND2 ASN A 33 8.501 -5.606 -5.640 1.00 0.00 N ATOM 0 H ASN A 33 5.832 -5.180 -8.303 1.00 0.00 H new ATOM 0 HA ASN A 33 8.534 -5.777 -9.301 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.660 -6.637 -7.085 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.777 -7.867 -7.644 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.245 -5.148 -5.113 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.562 -5.670 -5.247 1.00 0.00 H new ATOM 737 N GLU A 47 -3.177 -10.574 -13.528 1.00 0.00 N ATOM 738 CA GLU A 47 -2.771 -9.172 -13.170 1.00 0.00 C ATOM 739 C GLU A 47 -3.169 -8.124 -14.231 1.00 0.00 C ATOM 740 O GLU A 47 -2.662 -7.017 -14.239 1.00 0.00 O ATOM 741 CB GLU A 47 -1.244 -9.158 -12.958 1.00 0.00 C ATOM 742 CG GLU A 47 -0.477 -9.558 -14.251 1.00 0.00 C ATOM 743 CD GLU A 47 0.258 -10.888 -14.010 1.00 0.00 C ATOM 744 OE1 GLU A 47 -0.406 -11.904 -14.151 1.00 0.00 O ATOM 745 OE2 GLU A 47 1.436 -10.818 -13.694 1.00 0.00 O ATOM 0 HA GLU A 47 -3.304 -8.890 -12.262 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.930 -8.163 -12.642 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.983 -9.845 -12.153 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.172 -9.658 -15.085 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.235 -8.779 -14.522 1.00 0.00 H new ATOM 752 N ALA A 48 -4.072 -8.519 -15.089 1.00 0.00 N ATOM 753 CA ALA A 48 -4.555 -7.652 -16.207 1.00 0.00 C ATOM 754 C ALA A 48 -5.945 -7.080 -15.907 1.00 0.00 C ATOM 755 O ALA A 48 -6.376 -6.162 -16.580 1.00 0.00 O ATOM 756 CB ALA A 48 -4.593 -8.499 -17.493 1.00 0.00 C ATOM 0 H ALA A 48 -4.510 -9.440 -15.060 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.876 -6.808 -16.328 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.943 -7.885 -18.323 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.592 -8.871 -17.714 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.270 -9.342 -17.354 1.00 0.00 H new ATOM 762 N LYS A 49 -6.599 -7.638 -14.915 1.00 0.00 N ATOM 763 CA LYS A 49 -7.906 -7.085 -14.437 1.00 0.00 C ATOM 764 C LYS A 49 -7.715 -6.501 -13.016 1.00 0.00 C ATOM 765 O LYS A 49 -7.803 -7.230 -12.047 1.00 0.00 O ATOM 766 CB LYS A 49 -8.938 -8.229 -14.436 1.00 0.00 C ATOM 767 CG LYS A 49 -9.307 -8.586 -15.901 1.00 0.00 C ATOM 768 CD LYS A 49 -9.870 -10.010 -15.928 1.00 0.00 C ATOM 769 CE LYS A 49 -10.300 -10.404 -17.362 1.00 0.00 C ATOM 770 NZ LYS A 49 -11.600 -11.138 -17.330 1.00 0.00 N ATOM 0 H LYS A 49 -6.278 -8.464 -14.410 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.261 -6.286 -15.089 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.529 -9.103 -13.928 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.830 -7.929 -13.886 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.042 -7.881 -16.289 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.428 -8.514 -16.541 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.118 -10.710 -15.564 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.724 -10.081 -15.255 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.394 -9.510 -17.979 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.533 -11.029 -17.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.877 -11.396 -18.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.498 -12.000 -16.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.332 -10.529 -16.912 1.00 0.00 H new ATOM 784 N PRO A 50 -7.458 -5.210 -12.917 1.00 0.00 N ATOM 785 CA PRO A 50 -7.536 -4.480 -11.619 1.00 0.00 C ATOM 786 C PRO A 50 -8.926 -4.565 -10.972 1.00 0.00 C ATOM 787 O PRO A 50 -9.063 -4.371 -9.779 1.00 0.00 O ATOM 788 CB PRO A 50 -7.143 -3.028 -11.927 1.00 0.00 C ATOM 789 CG PRO A 50 -6.764 -2.959 -13.435 1.00 0.00 C ATOM 790 CD PRO A 50 -7.060 -4.340 -14.058 1.00 0.00 C ATOM 0 HA PRO A 50 -6.865 -4.931 -10.888 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.969 -2.352 -11.707 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.303 -2.717 -11.305 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.339 -2.181 -13.938 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.711 -2.704 -13.553 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.857 -4.274 -14.799 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.182 -4.737 -14.568 1.00 0.00 H new ATOM 798 N GLU A 51 -9.913 -4.858 -11.783 1.00 0.00 N ATOM 799 CA GLU A 51 -11.337 -4.867 -11.316 1.00 0.00 C ATOM 800 C GLU A 51 -11.558 -5.861 -10.170 1.00 0.00 C ATOM 801 O GLU A 51 -12.323 -5.596 -9.264 1.00 0.00 O ATOM 802 CB GLU A 51 -12.250 -5.246 -12.487 1.00 0.00 C ATOM 803 CG GLU A 51 -12.168 -4.189 -13.614 1.00 0.00 C ATOM 804 CD GLU A 51 -12.927 -2.915 -13.195 1.00 0.00 C ATOM 805 OE1 GLU A 51 -14.131 -2.912 -13.394 1.00 0.00 O ATOM 806 OE2 GLU A 51 -12.263 -2.017 -12.699 1.00 0.00 O ATOM 0 H GLU A 51 -9.790 -5.096 -12.767 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.573 -3.869 -10.948 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.962 -6.222 -12.877 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.279 -5.333 -12.138 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.126 -3.949 -13.824 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.594 -4.591 -14.533 1.00 0.00 H new ATOM 813 N GLU A 52 -10.875 -6.974 -10.245 1.00 0.00 N ATOM 814 CA GLU A 52 -11.059 -8.058 -9.227 1.00 0.00 C ATOM 815 C GLU A 52 -10.082 -7.834 -8.069 1.00 0.00 C ATOM 816 O GLU A 52 -10.380 -8.159 -6.935 1.00 0.00 O ATOM 817 CB GLU A 52 -10.795 -9.440 -9.880 1.00 0.00 C ATOM 818 CG GLU A 52 -9.662 -9.334 -10.915 1.00 0.00 C ATOM 819 CD GLU A 52 -9.156 -10.731 -11.307 1.00 0.00 C ATOM 820 OE1 GLU A 52 -9.830 -11.342 -12.124 1.00 0.00 O ATOM 821 OE2 GLU A 52 -8.126 -11.105 -10.767 1.00 0.00 O ATOM 0 H GLU A 52 -10.192 -7.182 -10.973 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.081 -8.035 -8.849 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.529 -10.167 -9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.704 -9.802 -10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.019 -8.809 -11.801 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.841 -8.746 -10.505 1.00 0.00 H new ATOM 828 N ILE A 53 -8.945 -7.279 -8.398 1.00 0.00 N ATOM 829 CA ILE A 53 -7.938 -6.906 -7.356 1.00 0.00 C ATOM 830 C ILE A 53 -8.441 -5.709 -6.540 1.00 0.00 C ATOM 831 O ILE A 53 -9.109 -4.844 -7.069 1.00 0.00 O ATOM 832 CB ILE A 53 -6.598 -6.549 -8.055 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.135 -7.773 -8.899 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.536 -6.241 -6.989 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.008 -7.367 -9.868 1.00 0.00 C ATOM 0 H ILE A 53 -8.666 -7.065 -9.356 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.786 -7.746 -6.678 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.732 -5.679 -8.698 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.786 -8.566 -8.238 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.978 -8.174 -9.461 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.594 -5.990 -7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.865 -5.399 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.394 -7.115 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.697 -8.235 -10.449 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.370 -6.590 -10.541 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.158 -6.988 -9.300 1.00 0.00 H new ATOM 847 N GLY A 54 -8.092 -5.700 -5.277 1.00 0.00 N ATOM 848 CA GLY A 54 -8.478 -4.569 -4.382 1.00 0.00 C ATOM 849 C GLY A 54 -7.401 -3.486 -4.411 1.00 0.00 C ATOM 850 O GLY A 54 -7.345 -2.680 -5.321 1.00 0.00 O ATOM 0 H GLY A 54 -7.550 -6.437 -4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.433 -4.152 -4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.613 -4.931 -3.363 1.00 0.00 H new ATOM 854 N TRP A 55 -6.579 -3.515 -3.397 1.00 0.00 N ATOM 855 CA TRP A 55 -5.504 -2.488 -3.230 1.00 0.00 C ATOM 856 C TRP A 55 -4.224 -2.950 -3.933 1.00 0.00 C ATOM 857 O TRP A 55 -3.795 -4.076 -3.768 1.00 0.00 O ATOM 858 CB TRP A 55 -5.252 -2.289 -1.721 1.00 0.00 C ATOM 859 CG TRP A 55 -6.215 -1.211 -1.219 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.389 -1.449 -0.572 1.00 0.00 C ATOM 861 CD2 TRP A 55 -6.047 0.124 -1.353 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.856 -0.233 -0.358 1.00 0.00 N ATOM 863 CE2 TRP A 55 -7.117 0.779 -0.789 1.00 0.00 C ATOM 864 CE3 TRP A 55 -5.024 0.852 -1.930 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.176 2.159 -0.801 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -5.084 2.230 -1.941 1.00 0.00 C ATOM 867 CH2 TRP A 55 -6.157 2.885 -1.379 1.00 0.00 C ATOM 0 H TRP A 55 -6.606 -4.221 -2.661 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.812 -1.543 -3.678 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.411 -3.223 -1.182 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.219 -1.990 -1.543 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.829 -2.397 -0.301 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.745 -0.079 0.117 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.180 0.343 -2.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -8.019 2.668 -0.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.285 2.799 -2.393 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.200 3.964 -1.391 1.00 0.00 H new ATOM 878 N LEU A 56 -3.666 -2.048 -4.701 1.00 0.00 N ATOM 879 CA LEU A 56 -2.374 -2.312 -5.405 1.00 0.00 C ATOM 880 C LEU A 56 -1.263 -1.601 -4.621 1.00 0.00 C ATOM 881 O LEU A 56 -1.525 -0.653 -3.906 1.00 0.00 O ATOM 882 CB LEU A 56 -2.449 -1.751 -6.845 1.00 0.00 C ATOM 883 CG LEU A 56 -3.552 -2.464 -7.697 1.00 0.00 C ATOM 884 CD1 LEU A 56 -3.666 -1.751 -9.078 1.00 0.00 C ATOM 885 CD2 LEU A 56 -3.154 -3.899 -7.961 1.00 0.00 C ATOM 0 H LEU A 56 -4.059 -1.123 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.173 -3.382 -5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.656 -0.681 -6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.481 -1.871 -7.332 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.495 -2.426 -7.152 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.432 -2.241 -9.678 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.937 -0.706 -8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.709 -1.806 -9.596 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.927 -4.388 -8.554 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.210 -3.920 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.038 -4.425 -7.013 1.00 0.00 H new ATOM 897 N ASN A 57 -0.060 -2.088 -4.778 1.00 0.00 N ATOM 898 CA ASN A 57 1.123 -1.457 -4.115 1.00 0.00 C ATOM 899 C ASN A 57 2.253 -1.338 -5.141 1.00 0.00 C ATOM 900 O ASN A 57 2.684 -2.329 -5.699 1.00 0.00 O ATOM 901 CB ASN A 57 1.561 -2.345 -2.937 1.00 0.00 C ATOM 902 CG ASN A 57 2.454 -1.544 -1.982 1.00 0.00 C ATOM 903 OD1 ASN A 57 3.522 -1.972 -1.591 1.00 0.00 O ATOM 904 ND2 ASN A 57 2.040 -0.375 -1.581 1.00 0.00 N ATOM 0 H ASN A 57 0.157 -2.908 -5.345 1.00 0.00 H new ATOM 0 HA ASN A 57 0.873 -0.464 -3.740 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.685 -2.716 -2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.101 -3.216 -3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.612 0.177 -0.941 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.144 -0.012 -1.907 1.00 0.00 H new ATOM 911 N GLY A 58 2.695 -0.126 -5.358 1.00 0.00 N ATOM 912 CA GLY A 58 3.745 0.137 -6.386 1.00 0.00 C ATOM 913 C GLY A 58 4.314 1.543 -6.187 1.00 0.00 C ATOM 914 O GLY A 58 4.154 2.134 -5.134 1.00 0.00 O ATOM 0 H GLY A 58 2.369 0.702 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.541 -0.603 -6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.322 0.043 -7.386 1.00 0.00 H new ATOM 918 N TYR A 59 4.966 2.034 -7.210 1.00 0.00 N ATOM 919 CA TYR A 59 5.710 3.323 -7.112 1.00 0.00 C ATOM 920 C TYR A 59 5.436 4.148 -8.371 1.00 0.00 C ATOM 921 O TYR A 59 5.555 3.666 -9.485 1.00 0.00 O ATOM 922 CB TYR A 59 7.235 3.042 -6.982 1.00 0.00 C ATOM 923 CG TYR A 59 7.518 1.538 -6.826 1.00 0.00 C ATOM 924 CD1 TYR A 59 7.504 0.938 -5.580 1.00 0.00 C ATOM 925 CD2 TYR A 59 7.777 0.768 -7.942 1.00 0.00 C ATOM 926 CE1 TYR A 59 7.743 -0.415 -5.459 1.00 0.00 C ATOM 927 CE2 TYR A 59 8.018 -0.583 -7.819 1.00 0.00 C ATOM 928 CZ TYR A 59 8.001 -1.184 -6.578 1.00 0.00 C ATOM 929 OH TYR A 59 8.239 -2.538 -6.458 1.00 0.00 O ATOM 0 H TYR A 59 5.014 1.586 -8.125 1.00 0.00 H new ATOM 0 HA TYR A 59 5.380 3.875 -6.232 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.753 3.422 -7.863 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.633 3.580 -6.122 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.305 1.531 -4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.791 1.228 -8.919 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.728 -0.877 -4.483 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.221 -1.175 -8.699 1.00 0.00 H new ATOM 0 HH TYR A 59 8.401 -2.922 -7.345 1.00 0.00 H new ATOM 939 N ASN A 60 5.072 5.377 -8.112 1.00 0.00 N ATOM 940 CA ASN A 60 4.871 6.402 -9.178 1.00 0.00 C ATOM 941 C ASN A 60 6.181 7.198 -9.358 1.00 0.00 C ATOM 942 O ASN A 60 6.256 8.372 -9.040 1.00 0.00 O ATOM 943 CB ASN A 60 3.694 7.286 -8.717 1.00 0.00 C ATOM 944 CG ASN A 60 3.218 8.213 -9.839 1.00 0.00 C ATOM 945 OD1 ASN A 60 2.983 7.808 -10.960 1.00 0.00 O ATOM 946 ND2 ASN A 60 3.064 9.479 -9.565 1.00 0.00 N ATOM 0 H ASN A 60 4.900 5.724 -7.168 1.00 0.00 H new ATOM 0 HA ASN A 60 4.632 5.967 -10.148 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.868 6.654 -8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.999 7.881 -7.856 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.748 10.123 -10.290 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.260 9.825 -8.626 1.00 0.00 H new ATOM 953 N GLU A 61 7.174 6.506 -9.867 1.00 0.00 N ATOM 954 CA GLU A 61 8.507 7.113 -10.211 1.00 0.00 C ATOM 955 C GLU A 61 8.411 8.475 -10.915 1.00 0.00 C ATOM 956 O GLU A 61 9.297 9.296 -10.777 1.00 0.00 O ATOM 957 CB GLU A 61 9.287 6.149 -11.128 1.00 0.00 C ATOM 958 CG GLU A 61 9.621 4.842 -10.368 1.00 0.00 C ATOM 959 CD GLU A 61 10.514 3.892 -11.210 1.00 0.00 C ATOM 960 OE1 GLU A 61 11.357 4.380 -11.950 1.00 0.00 O ATOM 961 OE2 GLU A 61 10.298 2.699 -11.058 1.00 0.00 O ATOM 0 H GLU A 61 7.114 5.507 -10.066 1.00 0.00 H new ATOM 0 HA GLU A 61 9.017 7.276 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.696 5.922 -12.015 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.206 6.625 -11.470 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.129 5.085 -9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.696 4.330 -10.103 1.00 0.00 H new ATOM 968 N THR A 62 7.337 8.659 -11.644 1.00 0.00 N ATOM 969 CA THR A 62 7.065 9.946 -12.365 1.00 0.00 C ATOM 970 C THR A 62 7.311 11.176 -11.477 1.00 0.00 C ATOM 971 O THR A 62 8.011 12.094 -11.855 1.00 0.00 O ATOM 972 CB THR A 62 5.593 9.945 -12.852 1.00 0.00 C ATOM 973 OG1 THR A 62 4.782 9.837 -11.691 1.00 0.00 O ATOM 974 CG2 THR A 62 5.255 8.692 -13.696 1.00 0.00 C ATOM 0 H THR A 62 6.616 7.950 -11.774 1.00 0.00 H new ATOM 0 HA THR A 62 7.753 10.012 -13.208 1.00 0.00 H new ATOM 0 HB THR A 62 5.430 10.843 -13.447 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.890 10.196 -11.881 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.213 8.737 -14.014 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.901 8.659 -14.573 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.413 7.796 -13.096 1.00 0.00 H new ATOM 982 N THR A 63 6.707 11.118 -10.320 1.00 0.00 N ATOM 983 CA THR A 63 6.893 12.152 -9.254 1.00 0.00 C ATOM 984 C THR A 63 7.759 11.610 -8.107 1.00 0.00 C ATOM 985 O THR A 63 8.010 12.318 -7.151 1.00 0.00 O ATOM 986 CB THR A 63 5.496 12.573 -8.711 1.00 0.00 C ATOM 987 OG1 THR A 63 4.681 11.408 -8.686 1.00 0.00 O ATOM 988 CG2 THR A 63 4.771 13.523 -9.689 1.00 0.00 C ATOM 0 H THR A 63 6.067 10.368 -10.059 1.00 0.00 H new ATOM 0 HA THR A 63 7.404 13.015 -9.682 1.00 0.00 H new ATOM 0 HB THR A 63 5.642 13.050 -7.742 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.777 11.647 -8.392 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.799 13.796 -9.278 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.370 14.422 -9.834 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.632 13.022 -10.647 1.00 0.00 H new ATOM 996 N GLY A 64 8.191 10.376 -8.233 1.00 0.00 N ATOM 997 CA GLY A 64 9.126 9.787 -7.224 1.00 0.00 C ATOM 998 C GLY A 64 8.396 9.470 -5.911 1.00 0.00 C ATOM 999 O GLY A 64 8.946 9.652 -4.843 1.00 0.00 O ATOM 0 H GLY A 64 7.934 9.750 -8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.571 8.876 -7.625 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.942 10.483 -7.031 1.00 0.00 H new ATOM 1003 N GLU A 65 7.177 9.009 -6.045 1.00 0.00 N ATOM 1004 CA GLU A 65 6.287 8.748 -4.866 1.00 0.00 C ATOM 1005 C GLU A 65 6.124 7.230 -4.700 1.00 0.00 C ATOM 1006 O GLU A 65 5.919 6.537 -5.676 1.00 0.00 O ATOM 1007 CB GLU A 65 4.904 9.410 -5.113 1.00 0.00 C ATOM 1008 CG GLU A 65 5.056 10.776 -5.811 1.00 0.00 C ATOM 1009 CD GLU A 65 5.599 11.809 -4.807 1.00 0.00 C ATOM 1010 OE1 GLU A 65 6.812 11.866 -4.684 1.00 0.00 O ATOM 1011 OE2 GLU A 65 4.766 12.481 -4.219 1.00 0.00 O ATOM 0 H GLU A 65 6.749 8.797 -6.946 1.00 0.00 H new ATOM 0 HA GLU A 65 6.724 9.168 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.287 8.752 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.385 9.540 -4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.733 10.689 -6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.094 11.105 -6.203 1.00 0.00 H new ATOM 1018 N ARG A 66 6.221 6.760 -3.477 1.00 0.00 N ATOM 1019 CA ARG A 66 6.086 5.289 -3.199 1.00 0.00 C ATOM 1020 C ARG A 66 4.928 5.031 -2.229 1.00 0.00 C ATOM 1021 O ARG A 66 4.888 5.599 -1.154 1.00 0.00 O ATOM 1022 CB ARG A 66 7.386 4.764 -2.573 1.00 0.00 C ATOM 1023 CG ARG A 66 8.470 4.625 -3.655 1.00 0.00 C ATOM 1024 CD ARG A 66 9.853 4.958 -3.054 1.00 0.00 C ATOM 1025 NE ARG A 66 9.860 6.395 -2.644 1.00 0.00 N ATOM 1026 CZ ARG A 66 10.724 6.820 -1.762 1.00 0.00 C ATOM 1027 NH1 ARG A 66 10.433 6.727 -0.494 1.00 0.00 N ATOM 1028 NH2 ARG A 66 11.853 7.325 -2.177 1.00 0.00 N ATOM 0 H ARG A 66 6.389 7.336 -2.652 1.00 0.00 H new ATOM 0 HA ARG A 66 5.887 4.774 -4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.725 5.445 -1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.208 3.799 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.471 3.611 -4.054 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.254 5.295 -4.488 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.056 4.318 -2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.639 4.769 -3.785 1.00 0.00 H new ATOM 0 HE ARG A 66 9.189 7.045 -3.054 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.541 6.327 -0.203 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.097 7.055 0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.049 7.383 -3.176 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.540 7.662 -1.502 1.00 0.00 H new ATOM 1042 N GLY A 67 4.019 4.178 -2.640 1.00 0.00 N ATOM 1043 CA GLY A 67 2.888 3.808 -1.729 1.00 0.00 C ATOM 1044 C GLY A 67 1.871 2.846 -2.353 1.00 0.00 C ATOM 1045 O GLY A 67 2.206 1.997 -3.158 1.00 0.00 O ATOM 0 H GLY A 67 4.010 3.727 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.296 3.353 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.371 4.717 -1.422 1.00 0.00 H new ATOM 1049 N ASP A 68 0.644 3.030 -1.934 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.493 2.154 -2.369 1.00 0.00 C ATOM 1051 C ASP A 68 -1.432 2.968 -3.264 1.00 0.00 C ATOM 1052 O ASP A 68 -1.364 4.182 -3.295 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.246 1.665 -1.126 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.297 0.834 -0.246 1.00 0.00 C ATOM 1055 OD1 ASP A 68 0.529 1.455 0.407 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.449 -0.377 -0.279 1.00 0.00 O ATOM 0 H ASP A 68 0.374 3.773 -1.289 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.120 1.295 -2.926 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.631 2.515 -0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.106 1.063 -1.422 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.284 2.266 -3.970 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.318 2.940 -4.811 1.00 0.00 C ATOM 1063 C PHE A 69 -4.417 1.922 -5.198 1.00 0.00 C ATOM 1064 O PHE A 69 -4.098 0.784 -5.477 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.631 3.514 -6.074 1.00 0.00 C ATOM 1066 CG PHE A 69 -1.928 2.406 -6.882 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.793 1.758 -6.413 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.442 2.042 -8.106 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.194 0.765 -7.163 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -1.846 1.056 -8.853 1.00 0.00 C ATOM 1071 CZ PHE A 69 -0.722 0.411 -8.385 1.00 0.00 C ATOM 0 H PHE A 69 -2.306 1.247 -3.999 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.787 3.753 -4.257 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.373 4.009 -6.701 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.904 4.272 -5.782 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.376 2.032 -5.455 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.324 2.538 -8.483 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.689 0.266 -6.791 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.261 0.785 -9.813 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.258 -0.367 -8.973 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.668 2.339 -5.206 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.810 1.432 -5.514 1.00 0.00 C ATOM 1083 C PRO A 70 -6.699 0.808 -6.919 1.00 0.00 C ATOM 1084 O PRO A 70 -6.054 1.354 -7.793 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.078 2.283 -5.373 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.630 3.722 -4.991 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.090 3.736 -4.914 1.00 0.00 C ATOM 0 HA PRO A 70 -6.823 0.584 -4.829 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.641 2.291 -6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.735 1.869 -4.608 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.981 4.440 -5.732 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.062 4.014 -4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.667 4.434 -5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.749 4.052 -3.928 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.343 -0.321 -7.073 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.344 -1.050 -8.380 1.00 0.00 C ATOM 1097 C GLY A 71 -8.598 -0.698 -9.198 1.00 0.00 C ATOM 1098 O GLY A 71 -9.267 -1.580 -9.705 1.00 0.00 O ATOM 0 H GLY A 71 -7.878 -0.777 -6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.450 -0.792 -8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.309 -2.125 -8.203 1.00 0.00 H new ATOM 1102 N THR A 72 -8.880 0.581 -9.297 1.00 0.00 N ATOM 1103 CA THR A 72 -10.065 1.055 -10.081 1.00 0.00 C ATOM 1104 C THR A 72 -9.835 2.413 -10.748 1.00 0.00 C ATOM 1105 O THR A 72 -10.484 2.740 -11.722 1.00 0.00 O ATOM 1106 CB THR A 72 -11.259 1.106 -9.104 1.00 0.00 C ATOM 1107 OG1 THR A 72 -12.368 1.628 -9.832 1.00 0.00 O ATOM 1108 CG2 THR A 72 -11.029 2.083 -7.921 1.00 0.00 C ATOM 0 H THR A 72 -8.333 1.324 -8.863 1.00 0.00 H new ATOM 0 HA THR A 72 -10.257 0.366 -10.903 1.00 0.00 H new ATOM 0 HB THR A 72 -11.409 0.102 -8.707 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.151 1.676 -9.245 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.902 2.076 -7.268 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.151 1.770 -7.356 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.872 3.090 -8.306 1.00 0.00 H new ATOM 1116 N TYR A 73 -8.911 3.157 -10.204 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.617 4.530 -10.743 1.00 0.00 C ATOM 1118 C TYR A 73 -7.537 4.460 -11.831 1.00 0.00 C ATOM 1119 O TYR A 73 -7.317 5.415 -12.552 1.00 0.00 O ATOM 1120 CB TYR A 73 -8.133 5.434 -9.585 1.00 0.00 C ATOM 1121 CG TYR A 73 -9.253 5.777 -8.573 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -10.537 5.262 -8.656 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -8.958 6.638 -7.532 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -11.494 5.598 -7.724 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -9.919 6.976 -6.601 1.00 0.00 C ATOM 1126 CZ TYR A 73 -11.194 6.456 -6.690 1.00 0.00 C ATOM 1127 OH TYR A 73 -12.160 6.787 -5.761 1.00 0.00 O ATOM 0 H TYR A 73 -8.341 2.878 -9.406 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.525 4.943 -11.183 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.317 4.936 -9.060 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.729 6.358 -9.998 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.790 4.589 -9.462 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.964 7.051 -7.446 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.488 5.185 -7.805 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.671 7.653 -5.797 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.780 7.402 -5.099 1.00 0.00 H new ATOM 1137 N VAL A 74 -6.908 3.316 -11.910 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.769 3.112 -12.857 1.00 0.00 C ATOM 1139 C VAL A 74 -6.238 2.252 -14.035 1.00 0.00 C ATOM 1140 O VAL A 74 -7.412 1.948 -14.151 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.614 2.427 -12.071 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.208 3.350 -10.885 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.060 1.024 -11.526 1.00 0.00 C ATOM 0 H VAL A 74 -7.140 2.498 -11.347 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.413 4.059 -13.262 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.767 2.273 -12.739 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.399 2.885 -10.322 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.875 4.313 -11.271 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.066 3.499 -10.230 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.235 0.566 -10.981 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.912 1.147 -10.858 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.343 0.383 -12.361 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.306 1.886 -14.878 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.629 0.964 -16.005 1.00 0.00 C ATOM 1155 C GLU A 75 -4.398 0.134 -16.360 1.00 0.00 C ATOM 1156 O GLU A 75 -3.403 0.660 -16.819 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.074 1.798 -17.232 1.00 0.00 C ATOM 1158 CG GLU A 75 -7.124 1.003 -18.039 1.00 0.00 C ATOM 1159 CD GLU A 75 -6.474 -0.264 -18.633 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -5.814 -0.109 -19.646 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -6.671 -1.313 -18.040 1.00 0.00 O ATOM 0 H GLU A 75 -4.333 2.188 -14.833 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.435 0.292 -15.710 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.494 2.750 -16.906 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.214 2.028 -17.861 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.959 0.727 -17.395 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.529 1.624 -18.838 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.510 -1.152 -16.133 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.404 -2.087 -16.496 1.00 0.00 C ATOM 1170 C TYR A 76 -3.079 -1.919 -17.986 1.00 0.00 C ATOM 1171 O TYR A 76 -3.955 -2.040 -18.819 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.868 -3.529 -16.191 1.00 0.00 C ATOM 1173 CG TYR A 76 -2.981 -4.532 -16.935 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.814 -4.991 -16.366 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.351 -4.985 -18.186 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -1.024 -5.893 -17.039 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.562 -5.887 -18.861 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.395 -6.345 -18.288 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.610 -7.249 -18.966 1.00 0.00 O ATOM 0 H TYR A 76 -5.325 -1.595 -15.709 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.504 -1.873 -15.920 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.822 -3.716 -15.118 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.908 -3.657 -16.492 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.518 -4.641 -15.388 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.265 -4.629 -18.637 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.110 -6.249 -16.588 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.857 -6.236 -19.840 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.546 -6.985 -19.908 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.832 -1.647 -18.272 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.410 -1.493 -19.700 1.00 0.00 C ATOM 1191 C ILE A 77 -0.763 -2.782 -20.207 1.00 0.00 C ATOM 1192 O ILE A 77 -1.175 -3.293 -21.232 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.401 -0.304 -19.836 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.475 -0.120 -18.566 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.181 1.005 -20.111 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.728 0.709 -18.918 1.00 0.00 C ATOM 0 H ILE A 77 -1.089 -1.525 -17.583 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.294 -1.283 -20.302 1.00 0.00 H new ATOM 0 HB ILE A 77 0.266 -0.537 -20.666 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.098 0.381 -17.786 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.769 -1.092 -18.170 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.479 1.834 -20.206 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.749 0.903 -21.036 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.865 1.201 -19.285 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.342 0.837 -18.026 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.305 0.190 -19.684 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.424 1.686 -19.293 1.00 0.00 H new ATOM 1208 N GLY A 78 0.221 -3.272 -19.493 1.00 0.00 N ATOM 1209 CA GLY A 78 0.961 -4.470 -19.983 1.00 0.00 C ATOM 1210 C GLY A 78 1.654 -5.183 -18.828 1.00 0.00 C ATOM 1211 O GLY A 78 1.822 -4.640 -17.752 1.00 0.00 O ATOM 0 H GLY A 78 0.540 -2.896 -18.600 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.271 -5.153 -20.477 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.699 -4.169 -20.727 1.00 0.00 H new ATOM 1215 N ARG A 79 2.029 -6.400 -19.115 1.00 0.00 N ATOM 1216 CA ARG A 79 3.018 -7.131 -18.270 1.00 0.00 C ATOM 1217 C ARG A 79 4.214 -7.594 -19.109 1.00 0.00 C ATOM 1218 O ARG A 79 4.095 -7.853 -20.290 1.00 0.00 O ATOM 1219 CB ARG A 79 2.268 -8.332 -17.592 1.00 0.00 C ATOM 1220 CG ARG A 79 2.215 -9.656 -18.416 1.00 0.00 C ATOM 1221 CD ARG A 79 1.650 -9.489 -19.850 1.00 0.00 C ATOM 1222 NE ARG A 79 0.178 -9.747 -19.826 1.00 0.00 N ATOM 1223 CZ ARG A 79 -0.590 -9.370 -20.818 1.00 0.00 C ATOM 1224 NH1 ARG A 79 -0.088 -9.210 -22.013 1.00 0.00 N ATOM 1225 NH2 ARG A 79 -1.854 -9.164 -20.572 1.00 0.00 N ATOM 0 H ARG A 79 1.685 -6.929 -19.916 1.00 0.00 H new ATOM 0 HA ARG A 79 3.426 -6.478 -17.498 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.747 -8.541 -16.636 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.246 -8.021 -17.375 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.221 -10.072 -18.480 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.604 -10.381 -17.879 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.850 -8.483 -20.219 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.143 -10.182 -20.532 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.235 -10.224 -19.025 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.905 -9.379 -22.176 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.689 -8.916 -22.783 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.218 -9.297 -19.629 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.478 -8.870 -21.323 1.00 0.00 H new