USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 429 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 27 GLN : amide:sc= 0.934 K(o=0.73,f=-8.5!) USER MOD Set 1.2: A 31 ASN : amide:sc= -0.204 X(o=0.73,f=1.1) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -159:sc= 0.739 (180deg=0) USER MOD Set 2.2: A 47 TYR OH : rot 30:sc= 0.527 USER MOD Single : A 7 SER OG : rot 22:sc= 0.138 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.559 K(o=0.56,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0595 K(o=-0.06,f=-0.7) USER MOD Single : A 36 ASN : amide:sc= 0.382 K(o=0.38,f=-6!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.479 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0664 K(o=-0.066,f=-1.2) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0164) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 70 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= -0.0277 (180deg=-0.323) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 5.807 4.215 0.247 1.00 0.00 N ATOM 106 CA SER A 7 6.780 3.797 1.242 1.00 0.00 C ATOM 107 C SER A 7 7.392 2.453 0.852 1.00 0.00 C ATOM 108 O SER A 7 6.696 1.571 0.345 1.00 0.00 O ATOM 109 CB SER A 7 6.109 3.699 2.613 1.00 0.00 C ATOM 110 OG SER A 7 5.437 4.906 2.939 1.00 0.00 O ATOM 0 HA SER A 7 7.578 4.537 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.399 2.872 2.616 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.858 3.479 3.373 1.00 0.00 H new ATOM 0 HG SER A 7 5.247 5.407 2.118 1.00 0.00 H new ATOM 116 N GLU A 8 8.692 2.302 1.064 1.00 0.00 N ATOM 117 CA GLU A 8 9.371 1.047 0.745 1.00 0.00 C ATOM 118 C GLU A 8 8.812 -0.111 1.578 1.00 0.00 C ATOM 119 O GLU A 8 8.731 -1.248 1.110 1.00 0.00 O ATOM 120 CB GLU A 8 10.901 1.177 0.897 1.00 0.00 C ATOM 121 CG GLU A 8 11.382 2.113 2.005 1.00 0.00 C ATOM 122 CD GLU A 8 11.079 1.603 3.395 1.00 0.00 C ATOM 123 OE1 GLU A 8 11.861 0.773 3.912 1.00 0.00 O ATOM 124 OE2 GLU A 8 10.064 2.034 3.983 1.00 0.00 O ATOM 0 H GLU A 8 9.297 3.025 1.453 1.00 0.00 H new ATOM 0 HA GLU A 8 9.173 0.820 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.315 0.185 1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.313 1.524 -0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.458 2.259 1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.915 3.089 1.874 1.00 0.00 H new ATOM 131 N GLU A 9 8.402 0.198 2.798 1.00 0.00 N ATOM 132 CA GLU A 9 7.710 -0.754 3.659 1.00 0.00 C ATOM 133 C GLU A 9 6.380 -1.166 3.034 1.00 0.00 C ATOM 134 O GLU A 9 6.009 -2.338 3.035 1.00 0.00 O ATOM 135 CB GLU A 9 7.472 -0.105 5.020 1.00 0.00 C ATOM 136 CG GLU A 9 6.725 -0.972 6.013 1.00 0.00 C ATOM 137 CD GLU A 9 6.407 -0.217 7.283 1.00 0.00 C ATOM 138 OE1 GLU A 9 5.344 0.438 7.336 1.00 0.00 O ATOM 139 OE2 GLU A 9 7.225 -0.252 8.225 1.00 0.00 O ATOM 0 H GLU A 9 8.539 1.116 3.221 1.00 0.00 H new ATOM 0 HA GLU A 9 8.322 -1.648 3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.435 0.169 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.914 0.820 4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.800 -1.330 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.324 -1.851 6.252 1.00 0.00 H new ATOM 146 N PHE A 10 5.682 -0.190 2.480 1.00 0.00 N ATOM 147 CA PHE A 10 4.407 -0.428 1.816 1.00 0.00 C ATOM 148 C PHE A 10 4.587 -1.402 0.652 1.00 0.00 C ATOM 149 O PHE A 10 3.727 -2.244 0.390 1.00 0.00 O ATOM 150 CB PHE A 10 3.834 0.907 1.326 1.00 0.00 C ATOM 151 CG PHE A 10 2.458 0.816 0.736 1.00 0.00 C ATOM 152 CD1 PHE A 10 1.345 0.733 1.554 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.279 0.823 -0.639 1.00 0.00 C ATOM 154 CE1 PHE A 10 0.075 0.658 1.015 1.00 0.00 C ATOM 155 CE2 PHE A 10 1.013 0.748 -1.185 1.00 0.00 C ATOM 156 CZ PHE A 10 -0.092 0.666 -0.357 1.00 0.00 C ATOM 0 H PHE A 10 5.979 0.786 2.476 1.00 0.00 H new ATOM 0 HA PHE A 10 3.708 -0.876 2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.811 1.606 2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.509 1.325 0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.471 0.727 2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.139 0.888 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.785 0.593 1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.886 0.753 -2.257 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.083 0.608 -0.782 1.00 0.00 H new ATOM 166 N LYS A 11 5.725 -1.291 -0.030 1.00 0.00 N ATOM 167 CA LYS A 11 6.040 -2.168 -1.149 1.00 0.00 C ATOM 168 C LYS A 11 6.415 -3.562 -0.657 1.00 0.00 C ATOM 169 O LYS A 11 6.045 -4.563 -1.266 1.00 0.00 O ATOM 170 CB LYS A 11 7.191 -1.594 -1.981 1.00 0.00 C ATOM 171 CG LYS A 11 7.004 -0.143 -2.390 1.00 0.00 C ATOM 172 CD LYS A 11 8.180 0.336 -3.225 1.00 0.00 C ATOM 173 CE LYS A 11 8.163 1.838 -3.438 1.00 0.00 C ATOM 174 NZ LYS A 11 9.363 2.299 -4.182 1.00 0.00 N ATOM 0 H LYS A 11 6.445 -0.599 0.176 1.00 0.00 H new ATOM 0 HA LYS A 11 5.150 -2.240 -1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.115 -1.682 -1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.312 -2.200 -2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.080 -0.037 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.905 0.480 -1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.111 0.052 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.164 -0.166 -4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.264 2.118 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.117 2.342 -2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.510 3.314 -4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.197 1.768 -3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.223 2.138 -5.200 1.00 0.00 H new ATOM 188 N ARG A 12 7.150 -3.631 0.454 1.00 0.00 N ATOM 189 CA ARG A 12 7.582 -4.918 0.989 1.00 0.00 C ATOM 190 C ARG A 12 6.399 -5.674 1.591 1.00 0.00 C ATOM 191 O ARG A 12 6.427 -6.900 1.704 1.00 0.00 O ATOM 192 CB ARG A 12 8.748 -4.755 1.991 1.00 0.00 C ATOM 193 CG ARG A 12 8.436 -4.001 3.274 1.00 0.00 C ATOM 194 CD ARG A 12 7.871 -4.914 4.355 1.00 0.00 C ATOM 195 NE ARG A 12 7.898 -4.279 5.671 1.00 0.00 N ATOM 196 CZ ARG A 12 7.028 -4.540 6.645 1.00 0.00 C ATOM 197 NH1 ARG A 12 6.034 -5.394 6.450 1.00 0.00 N ATOM 198 NH2 ARG A 12 7.144 -3.939 7.820 1.00 0.00 N ATOM 0 H ARG A 12 7.454 -2.821 0.993 1.00 0.00 H new ATOM 0 HA ARG A 12 7.968 -5.519 0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.111 -5.748 2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.565 -4.243 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.344 -3.523 3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.721 -3.206 3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.846 -5.184 4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.446 -5.839 4.386 1.00 0.00 H new ATOM 0 HE ARG A 12 8.629 -3.592 5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.930 -5.858 5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.373 -5.587 7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.901 -3.274 7.980 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.476 -4.141 8.564 1.00 0.00 H new ATOM 212 N ASP A 13 5.356 -4.938 1.955 1.00 0.00 N ATOM 213 CA ASP A 13 4.094 -5.554 2.359 1.00 0.00 C ATOM 214 C ASP A 13 3.447 -6.259 1.175 1.00 0.00 C ATOM 215 O ASP A 13 2.869 -7.335 1.318 1.00 0.00 O ATOM 216 CB ASP A 13 3.132 -4.509 2.924 1.00 0.00 C ATOM 217 CG ASP A 13 3.222 -4.370 4.431 1.00 0.00 C ATOM 218 OD1 ASP A 13 2.617 -5.199 5.143 1.00 0.00 O ATOM 219 OD2 ASP A 13 3.873 -3.421 4.912 1.00 0.00 O ATOM 0 H ASP A 13 5.357 -3.918 1.979 1.00 0.00 H new ATOM 0 HA ASP A 13 4.311 -6.285 3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.342 -3.544 2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.112 -4.778 2.650 1.00 0.00 H new ATOM 224 N ALA A 14 3.563 -5.651 0.000 1.00 0.00 N ATOM 225 CA ALA A 14 3.027 -6.239 -1.225 1.00 0.00 C ATOM 226 C ALA A 14 3.779 -7.516 -1.590 1.00 0.00 C ATOM 227 O ALA A 14 3.201 -8.457 -2.134 1.00 0.00 O ATOM 228 CB ALA A 14 3.090 -5.237 -2.369 1.00 0.00 C ATOM 0 H ALA A 14 4.024 -4.750 -0.132 1.00 0.00 H new ATOM 0 HA ALA A 14 1.983 -6.499 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.687 -5.692 -3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.502 -4.355 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.126 -4.945 -2.540 1.00 0.00 H new ATOM 234 N VAL A 15 5.067 -7.544 -1.278 1.00 0.00 N ATOM 235 CA VAL A 15 5.873 -8.742 -1.479 1.00 0.00 C ATOM 236 C VAL A 15 5.380 -9.861 -0.563 1.00 0.00 C ATOM 237 O VAL A 15 5.335 -11.030 -0.952 1.00 0.00 O ATOM 238 CB VAL A 15 7.373 -8.469 -1.218 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.207 -9.711 -1.483 1.00 0.00 C ATOM 240 CG2 VAL A 15 7.861 -7.311 -2.072 1.00 0.00 C ATOM 0 H VAL A 15 5.577 -6.753 -0.885 1.00 0.00 H new ATOM 0 HA VAL A 15 5.765 -9.047 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 15 7.489 -8.200 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.257 -9.491 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.879 -10.516 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.084 -10.017 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.918 -7.134 -1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.724 -7.553 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.291 -6.414 -1.829 1.00 0.00 H new ATOM 250 N ALA A 16 4.975 -9.486 0.648 1.00 0.00 N ATOM 251 CA ALA A 16 4.411 -10.434 1.602 1.00 0.00 C ATOM 252 C ALA A 16 3.049 -10.931 1.123 1.00 0.00 C ATOM 253 O ALA A 16 2.671 -12.077 1.361 1.00 0.00 O ATOM 254 CB ALA A 16 4.295 -9.798 2.978 1.00 0.00 C ATOM 0 H ALA A 16 5.028 -8.527 0.992 1.00 0.00 H new ATOM 0 HA ALA A 16 5.081 -11.290 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.872 -10.519 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.283 -9.494 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.646 -8.924 2.921 1.00 0.00 H new ATOM 260 N LEU A 17 2.316 -10.057 0.442 1.00 0.00 N ATOM 261 CA LEU A 17 1.055 -10.438 -0.185 1.00 0.00 C ATOM 262 C LEU A 17 1.301 -11.494 -1.258 1.00 0.00 C ATOM 263 O LEU A 17 0.514 -12.424 -1.421 1.00 0.00 O ATOM 264 CB LEU A 17 0.376 -9.215 -0.807 1.00 0.00 C ATOM 265 CG LEU A 17 -0.130 -8.162 0.183 1.00 0.00 C ATOM 266 CD1 LEU A 17 -0.620 -6.929 -0.558 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.242 -8.735 1.048 1.00 0.00 C ATOM 0 H LEU A 17 2.573 -9.079 0.310 1.00 0.00 H new ATOM 0 HA LEU A 17 0.399 -10.852 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.081 -8.738 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.467 -9.557 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 17 0.698 -7.872 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.976 -6.190 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.199 -6.505 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.434 -7.206 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.590 -7.973 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.070 -9.051 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.864 -9.592 1.605 1.00 0.00 H new ATOM 279 N TYR A 18 2.413 -11.350 -1.970 1.00 0.00 N ATOM 280 CA TYR A 18 2.775 -12.281 -3.032 1.00 0.00 C ATOM 281 C TYR A 18 3.127 -13.651 -2.451 1.00 0.00 C ATOM 282 O TYR A 18 2.957 -14.677 -3.109 1.00 0.00 O ATOM 283 CB TYR A 18 3.950 -11.728 -3.839 1.00 0.00 C ATOM 284 CG TYR A 18 4.241 -12.495 -5.109 1.00 0.00 C ATOM 285 CD1 TYR A 18 3.434 -12.338 -6.229 1.00 0.00 C ATOM 286 CD2 TYR A 18 5.320 -13.367 -5.191 1.00 0.00 C ATOM 287 CE1 TYR A 18 3.694 -13.028 -7.395 1.00 0.00 C ATOM 288 CE2 TYR A 18 5.588 -14.061 -6.356 1.00 0.00 C ATOM 289 CZ TYR A 18 4.770 -13.888 -7.456 1.00 0.00 C ATOM 290 OH TYR A 18 5.033 -14.576 -8.622 1.00 0.00 O ATOM 0 H TYR A 18 3.082 -10.593 -1.830 1.00 0.00 H new ATOM 0 HA TYR A 18 1.918 -12.400 -3.695 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.745 -10.688 -4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.842 -11.732 -3.212 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.590 -11.665 -6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.959 -13.505 -4.331 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.057 -12.895 -8.257 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.431 -14.734 -6.406 1.00 0.00 H new ATOM 0 HH TYR A 18 5.826 -15.138 -8.498 1.00 0.00 H new ATOM 300 N GLU A 19 3.615 -13.658 -1.213 1.00 0.00 N ATOM 301 CA GLU A 19 3.894 -14.905 -0.507 1.00 0.00 C ATOM 302 C GLU A 19 2.619 -15.721 -0.348 1.00 0.00 C ATOM 303 O GLU A 19 2.661 -16.946 -0.259 1.00 0.00 O ATOM 304 CB GLU A 19 4.476 -14.637 0.883 1.00 0.00 C ATOM 305 CG GLU A 19 5.836 -13.964 0.891 1.00 0.00 C ATOM 306 CD GLU A 19 6.393 -13.845 2.297 1.00 0.00 C ATOM 307 OE1 GLU A 19 6.868 -14.866 2.839 1.00 0.00 O ATOM 308 OE2 GLU A 19 6.342 -12.741 2.877 1.00 0.00 O ATOM 0 H GLU A 19 3.825 -12.815 -0.679 1.00 0.00 H new ATOM 0 HA GLU A 19 4.622 -15.458 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.776 -14.014 1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.553 -15.584 1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.528 -14.535 0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.754 -12.972 0.446 1.00 0.00 H new ATOM 315 N ASN A 20 1.490 -15.029 -0.328 1.00 0.00 N ATOM 316 CA ASN A 20 0.202 -15.650 -0.059 1.00 0.00 C ATOM 317 C ASN A 20 -0.572 -15.904 -1.350 1.00 0.00 C ATOM 318 O ASN A 20 -1.802 -15.876 -1.364 1.00 0.00 O ATOM 319 CB ASN A 20 -0.613 -14.752 0.876 1.00 0.00 C ATOM 320 CG ASN A 20 -0.103 -14.786 2.306 1.00 0.00 C ATOM 321 OD1 ASN A 20 -0.529 -15.616 3.107 1.00 0.00 O ATOM 322 ND2 ASN A 20 0.816 -13.886 2.636 1.00 0.00 N ATOM 0 H ASN A 20 1.441 -14.024 -0.497 1.00 0.00 H new ATOM 0 HA ASN A 20 0.377 -16.614 0.419 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.583 -13.727 0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.656 -15.067 0.858 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.194 -13.867 3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.144 -13.214 1.942 1.00 0.00 H new ATOM 329 N SER A 21 0.156 -16.199 -2.422 1.00 0.00 N ATOM 330 CA SER A 21 -0.448 -16.456 -3.726 1.00 0.00 C ATOM 331 C SER A 21 -1.302 -17.723 -3.711 1.00 0.00 C ATOM 332 O SER A 21 -2.084 -17.969 -4.634 1.00 0.00 O ATOM 333 CB SER A 21 0.641 -16.580 -4.789 1.00 0.00 C ATOM 334 OG SER A 21 1.578 -17.593 -4.446 1.00 0.00 O ATOM 0 H SER A 21 1.174 -16.267 -2.413 1.00 0.00 H new ATOM 0 HA SER A 21 -1.099 -15.614 -3.963 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.188 -16.811 -5.753 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.156 -15.626 -4.899 1.00 0.00 H new ATOM 0 HG SER A 21 2.264 -17.654 -5.143 1.00 0.00 H new ATOM 340 N ASP A 22 -1.134 -18.527 -2.664 1.00 0.00 N ATOM 341 CA ASP A 22 -1.900 -19.761 -2.493 1.00 0.00 C ATOM 342 C ASP A 22 -3.388 -19.528 -2.713 1.00 0.00 C ATOM 343 O ASP A 22 -4.067 -20.327 -3.356 1.00 0.00 O ATOM 344 CB ASP A 22 -1.669 -20.336 -1.096 1.00 0.00 C ATOM 345 CG ASP A 22 -2.505 -21.569 -0.828 1.00 0.00 C ATOM 346 OD1 ASP A 22 -2.126 -22.666 -1.295 1.00 0.00 O ATOM 347 OD2 ASP A 22 -3.538 -21.452 -0.137 1.00 0.00 O ATOM 0 H ASP A 22 -0.468 -18.344 -1.914 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.553 -20.473 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.614 -20.585 -0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.901 -19.575 -0.351 1.00 0.00 H new ATOM 352 N GLY A 23 -3.882 -18.415 -2.208 1.00 0.00 N ATOM 353 CA GLY A 23 -5.284 -18.101 -2.363 1.00 0.00 C ATOM 354 C GLY A 23 -5.499 -16.760 -3.033 1.00 0.00 C ATOM 355 O GLY A 23 -6.522 -16.112 -2.814 1.00 0.00 O ATOM 0 H GLY A 23 -3.339 -17.722 -1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.766 -18.881 -2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.764 -18.098 -1.384 1.00 0.00 H new ATOM 359 N ALA A 24 -4.540 -16.339 -3.854 1.00 0.00 N ATOM 360 CA ALA A 24 -4.619 -15.046 -4.514 1.00 0.00 C ATOM 361 C ALA A 24 -3.885 -15.072 -5.844 1.00 0.00 C ATOM 362 O ALA A 24 -2.737 -15.506 -5.917 1.00 0.00 O ATOM 363 CB ALA A 24 -4.042 -13.963 -3.617 1.00 0.00 C ATOM 0 H ALA A 24 -3.702 -16.876 -4.076 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.669 -14.824 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.107 -12.999 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.607 -13.923 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.998 -14.189 -3.399 1.00 0.00 H new ATOM 369 N SER A 25 -4.565 -14.626 -6.887 1.00 0.00 N ATOM 370 CA SER A 25 -3.960 -14.502 -8.203 1.00 0.00 C ATOM 371 C SER A 25 -2.996 -13.316 -8.229 1.00 0.00 C ATOM 372 O SER A 25 -3.203 -12.325 -7.522 1.00 0.00 O ATOM 373 CB SER A 25 -5.050 -14.326 -9.277 1.00 0.00 C ATOM 374 OG SER A 25 -4.484 -14.206 -10.571 1.00 0.00 O ATOM 0 H SER A 25 -5.544 -14.342 -6.847 1.00 0.00 H new ATOM 0 HA SER A 25 -3.402 -15.413 -8.419 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.729 -15.179 -9.252 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.644 -13.439 -9.054 1.00 0.00 H new ATOM 0 HG SER A 25 -5.199 -14.097 -11.232 1.00 0.00 H new ATOM 380 N LEU A 26 -1.945 -13.427 -9.040 1.00 0.00 N ATOM 381 CA LEU A 26 -0.991 -12.336 -9.220 1.00 0.00 C ATOM 382 C LEU A 26 -1.739 -11.092 -9.696 1.00 0.00 C ATOM 383 O LEU A 26 -1.425 -9.968 -9.297 1.00 0.00 O ATOM 384 CB LEU A 26 0.098 -12.752 -10.228 1.00 0.00 C ATOM 385 CG LEU A 26 1.400 -11.938 -10.199 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.493 -12.689 -10.940 1.00 0.00 C ATOM 387 CD2 LEU A 26 1.212 -10.559 -10.818 1.00 0.00 C ATOM 0 H LEU A 26 -1.733 -14.264 -9.584 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.501 -12.108 -8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.345 -13.799 -10.052 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.323 -12.688 -11.232 1.00 0.00 H new ATOM 0 HG LEU A 26 1.687 -11.802 -9.156 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.414 -12.107 -10.916 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.661 -13.654 -10.461 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.189 -12.846 -11.975 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.154 -10.012 -10.780 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.896 -10.666 -11.856 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.451 -10.011 -10.262 1.00 0.00 H new ATOM 399 N GLN A 27 -2.750 -11.317 -10.532 1.00 0.00 N ATOM 400 CA GLN A 27 -3.635 -10.253 -10.988 1.00 0.00 C ATOM 401 C GLN A 27 -4.268 -9.546 -9.794 1.00 0.00 C ATOM 402 O GLN A 27 -4.172 -8.331 -9.663 1.00 0.00 O ATOM 403 CB GLN A 27 -4.739 -10.838 -11.884 1.00 0.00 C ATOM 404 CG GLN A 27 -5.839 -9.849 -12.270 1.00 0.00 C ATOM 405 CD GLN A 27 -5.347 -8.721 -13.152 1.00 0.00 C ATOM 406 OE1 GLN A 27 -4.367 -8.867 -13.882 1.00 0.00 O ATOM 407 NE2 GLN A 27 -6.046 -7.602 -13.113 1.00 0.00 N ATOM 0 H GLN A 27 -2.976 -12.237 -10.909 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.050 -9.532 -11.559 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.282 -11.226 -12.794 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.194 -11.685 -11.370 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.635 -10.385 -12.787 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.275 -9.429 -11.364 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.852 -7.525 -12.492 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.780 -6.814 -13.704 1.00 0.00 H new ATOM 416 N GLN A 28 -4.884 -10.332 -8.917 1.00 0.00 N ATOM 417 CA GLN A 28 -5.648 -9.800 -7.787 1.00 0.00 C ATOM 418 C GLN A 28 -4.769 -8.971 -6.850 1.00 0.00 C ATOM 419 O GLN A 28 -5.192 -7.916 -6.374 1.00 0.00 O ATOM 420 CB GLN A 28 -6.305 -10.947 -7.005 1.00 0.00 C ATOM 421 CG GLN A 28 -7.212 -10.477 -5.876 1.00 0.00 C ATOM 422 CD GLN A 28 -8.385 -9.657 -6.374 1.00 0.00 C ATOM 423 OE1 GLN A 28 -8.871 -9.855 -7.487 1.00 0.00 O ATOM 424 NE2 GLN A 28 -8.843 -8.725 -5.557 1.00 0.00 N ATOM 0 H GLN A 28 -4.870 -11.351 -8.966 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.420 -9.145 -8.191 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.886 -11.559 -7.695 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.525 -11.586 -6.591 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.585 -11.343 -5.330 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.631 -9.882 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.412 -8.592 -4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.627 -8.138 -5.841 1.00 0.00 H new ATOM 433 N ILE A 29 -3.555 -9.444 -6.585 1.00 0.00 N ATOM 434 CA ILE A 29 -2.636 -8.734 -5.694 1.00 0.00 C ATOM 435 C ILE A 29 -2.369 -7.316 -6.200 1.00 0.00 C ATOM 436 O ILE A 29 -2.523 -6.338 -5.467 1.00 0.00 O ATOM 437 CB ILE A 29 -1.294 -9.488 -5.529 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.538 -10.890 -4.951 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.337 -8.697 -4.637 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.177 -10.883 -3.576 1.00 0.00 C ATOM 0 H ILE A 29 -3.184 -10.312 -6.971 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.120 -8.682 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.834 -9.594 -6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.177 -11.449 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.588 -11.421 -4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.600 -9.244 -4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.141 -7.724 -5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.787 -8.559 -3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.318 -11.909 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.530 -10.353 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.144 -10.382 -3.627 1.00 0.00 H new ATOM 452 N ALA A 30 -1.989 -7.217 -7.468 1.00 0.00 N ATOM 453 CA ALA A 30 -1.724 -5.926 -8.086 1.00 0.00 C ATOM 454 C ALA A 30 -3.023 -5.145 -8.277 1.00 0.00 C ATOM 455 O ALA A 30 -3.059 -3.925 -8.120 1.00 0.00 O ATOM 456 CB ALA A 30 -1.016 -6.136 -9.420 1.00 0.00 C ATOM 0 H ALA A 30 -1.858 -8.016 -8.088 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.078 -5.342 -7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.818 -5.169 -9.883 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.074 -6.659 -9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.649 -6.730 -10.079 1.00 0.00 H new ATOM 462 N ASN A 31 -4.087 -5.877 -8.578 1.00 0.00 N ATOM 463 CA ASN A 31 -5.399 -5.294 -8.861 1.00 0.00 C ATOM 464 C ASN A 31 -5.968 -4.590 -7.633 1.00 0.00 C ATOM 465 O ASN A 31 -6.489 -3.477 -7.732 1.00 0.00 O ATOM 466 CB ASN A 31 -6.366 -6.393 -9.322 1.00 0.00 C ATOM 467 CG ASN A 31 -7.674 -5.853 -9.866 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.642 -5.665 -9.131 1.00 0.00 O ATOM 469 ND2 ASN A 31 -7.717 -5.611 -11.166 1.00 0.00 N ATOM 0 H ASN A 31 -4.068 -6.895 -8.634 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.278 -4.554 -9.652 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.881 -6.994 -10.091 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.576 -7.057 -8.484 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.574 -5.256 -11.591 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.893 -5.779 -11.744 1.00 0.00 H new ATOM 476 N ASP A 32 -5.853 -5.240 -6.480 1.00 0.00 N ATOM 477 CA ASP A 32 -6.386 -4.701 -5.229 1.00 0.00 C ATOM 478 C ASP A 32 -5.621 -3.455 -4.808 1.00 0.00 C ATOM 479 O ASP A 32 -6.174 -2.552 -4.177 1.00 0.00 O ATOM 480 CB ASP A 32 -6.309 -5.757 -4.118 1.00 0.00 C ATOM 481 CG ASP A 32 -6.974 -5.306 -2.830 1.00 0.00 C ATOM 482 OD1 ASP A 32 -8.220 -5.296 -2.770 1.00 0.00 O ATOM 483 OD2 ASP A 32 -6.258 -4.977 -1.858 1.00 0.00 O ATOM 0 H ASP A 32 -5.393 -6.145 -6.383 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.429 -4.431 -5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.782 -6.676 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.264 -5.992 -3.919 1.00 0.00 H new ATOM 488 N LEU A 33 -4.343 -3.404 -5.170 1.00 0.00 N ATOM 489 CA LEU A 33 -3.496 -2.282 -4.821 1.00 0.00 C ATOM 490 C LEU A 33 -3.615 -1.165 -5.860 1.00 0.00 C ATOM 491 O LEU A 33 -3.404 0.010 -5.557 1.00 0.00 O ATOM 492 CB LEU A 33 -2.048 -2.752 -4.696 1.00 0.00 C ATOM 493 CG LEU A 33 -1.083 -1.712 -4.141 1.00 0.00 C ATOM 494 CD1 LEU A 33 -1.509 -1.289 -2.744 1.00 0.00 C ATOM 495 CD2 LEU A 33 0.338 -2.251 -4.126 1.00 0.00 C ATOM 0 H LEU A 33 -3.875 -4.133 -5.708 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.823 -1.879 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.021 -3.632 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.696 -3.065 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.108 -0.837 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.810 -0.546 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.510 -0.860 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.512 -2.158 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.011 -1.492 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.383 -3.142 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.641 -2.506 -5.141 1.00 0.00 H new ATOM 507 N GLY A 34 -3.953 -1.546 -7.086 1.00 0.00 N ATOM 508 CA GLY A 34 -4.148 -0.573 -8.143 1.00 0.00 C ATOM 509 C GLY A 34 -2.919 -0.404 -9.012 1.00 0.00 C ATOM 510 O GLY A 34 -2.757 0.620 -9.674 1.00 0.00 O ATOM 0 H GLY A 34 -4.096 -2.516 -7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.989 -0.881 -8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.412 0.388 -7.703 1.00 0.00 H new ATOM 514 N ILE A 35 -2.055 -1.409 -9.021 1.00 0.00 N ATOM 515 CA ILE A 35 -0.838 -1.355 -9.815 1.00 0.00 C ATOM 516 C ILE A 35 -0.845 -2.435 -10.887 1.00 0.00 C ATOM 517 O ILE A 35 -1.717 -3.301 -10.902 1.00 0.00 O ATOM 518 CB ILE A 35 0.428 -1.515 -8.946 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.376 -2.827 -8.156 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.584 -0.327 -8.006 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.644 -3.129 -7.390 1.00 0.00 C ATOM 0 H ILE A 35 -2.175 -2.270 -8.488 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.813 -0.371 -10.283 1.00 0.00 H new ATOM 0 HB ILE A 35 1.296 -1.547 -9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.459 -2.786 -7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.175 -3.647 -8.845 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.482 -0.457 -7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.669 0.590 -8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.287 -0.262 -7.354 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.531 -4.073 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.480 -3.203 -8.085 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.837 -2.329 -6.675 1.00 0.00 H new ATOM 533 N ASN A 36 0.124 -2.374 -11.788 1.00 0.00 N ATOM 534 CA ASN A 36 0.257 -3.358 -12.844 1.00 0.00 C ATOM 535 C ASN A 36 0.984 -4.596 -12.333 1.00 0.00 C ATOM 536 O ASN A 36 1.736 -4.525 -11.360 1.00 0.00 O ATOM 537 CB ASN A 36 1.026 -2.740 -14.013 1.00 0.00 C ATOM 538 CG ASN A 36 0.965 -3.589 -15.259 1.00 0.00 C ATOM 539 OD1 ASN A 36 1.826 -4.436 -15.497 1.00 0.00 O ATOM 540 ND2 ASN A 36 -0.058 -3.373 -16.059 1.00 0.00 N ATOM 0 H ASN A 36 0.836 -1.643 -11.805 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.735 -3.660 -13.179 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.619 -1.753 -14.230 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.068 -2.599 -13.724 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.160 -3.918 -16.915 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.749 -2.661 -15.823 1.00 0.00 H new ATOM 547 N ARG A 37 0.757 -5.730 -12.995 1.00 0.00 N ATOM 548 CA ARG A 37 1.431 -6.972 -12.657 1.00 0.00 C ATOM 549 C ARG A 37 2.944 -6.782 -12.686 1.00 0.00 C ATOM 550 O ARG A 37 3.671 -7.334 -11.858 1.00 0.00 O ATOM 551 CB ARG A 37 1.043 -8.066 -13.648 1.00 0.00 C ATOM 552 CG ARG A 37 -0.407 -8.502 -13.593 1.00 0.00 C ATOM 553 CD ARG A 37 -0.662 -9.614 -14.597 1.00 0.00 C ATOM 554 NE ARG A 37 -2.042 -10.090 -14.570 1.00 0.00 N ATOM 555 CZ ARG A 37 -2.403 -11.342 -14.854 1.00 0.00 C ATOM 556 NH1 ARG A 37 -1.489 -12.252 -15.167 1.00 0.00 N ATOM 557 NH2 ARG A 37 -3.683 -11.685 -14.829 1.00 0.00 N ATOM 0 H ARG A 37 0.104 -5.808 -13.775 1.00 0.00 H new ATOM 0 HA ARG A 37 1.126 -7.265 -11.652 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.262 -7.715 -14.656 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.674 -8.936 -13.469 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.652 -8.847 -12.588 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.057 -7.654 -13.807 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.425 -9.255 -15.599 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.010 -10.447 -14.389 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.774 -9.425 -14.319 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.502 -11.996 -15.192 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.774 -13.207 -15.383 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.392 -10.991 -14.593 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.959 -12.643 -15.046 1.00 0.00 H new ATOM 571 N VAL A 38 3.405 -5.985 -13.645 1.00 0.00 N ATOM 572 CA VAL A 38 4.831 -5.728 -13.804 1.00 0.00 C ATOM 573 C VAL A 38 5.356 -4.870 -12.657 1.00 0.00 C ATOM 574 O VAL A 38 6.437 -5.122 -12.129 1.00 0.00 O ATOM 575 CB VAL A 38 5.139 -5.042 -15.153 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.634 -4.822 -15.324 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.594 -5.870 -16.307 1.00 0.00 C ATOM 0 H VAL A 38 2.812 -5.507 -14.323 1.00 0.00 H new ATOM 0 HA VAL A 38 5.337 -6.694 -13.789 1.00 0.00 H new ATOM 0 HB VAL A 38 4.648 -4.069 -15.156 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.823 -4.338 -16.282 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.003 -4.188 -14.518 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.149 -5.782 -15.295 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.820 -5.372 -17.250 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.057 -6.857 -16.297 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.514 -5.975 -16.201 1.00 0.00 H new ATOM 587 N THR A 39 4.569 -3.871 -12.265 1.00 0.00 N ATOM 588 CA THR A 39 4.926 -2.993 -11.158 1.00 0.00 C ATOM 589 C THR A 39 5.147 -3.799 -9.881 1.00 0.00 C ATOM 590 O THR A 39 6.111 -3.573 -9.149 1.00 0.00 O ATOM 591 CB THR A 39 3.816 -1.957 -10.908 1.00 0.00 C ATOM 592 OG1 THR A 39 3.353 -1.433 -12.158 1.00 0.00 O ATOM 593 CG2 THR A 39 4.312 -0.820 -10.029 1.00 0.00 C ATOM 0 H THR A 39 3.674 -3.650 -12.702 1.00 0.00 H new ATOM 0 HA THR A 39 5.849 -2.479 -11.427 1.00 0.00 H new ATOM 0 HB THR A 39 2.996 -2.455 -10.391 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.645 -0.775 -11.995 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.505 -0.104 -9.870 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.638 -1.218 -9.068 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.149 -0.321 -10.517 1.00 0.00 H new ATOM 601 N LEU A 40 4.249 -4.748 -9.639 1.00 0.00 N ATOM 602 CA LEU A 40 4.345 -5.627 -8.483 1.00 0.00 C ATOM 603 C LEU A 40 5.641 -6.428 -8.526 1.00 0.00 C ATOM 604 O LEU A 40 6.392 -6.461 -7.551 1.00 0.00 O ATOM 605 CB LEU A 40 3.143 -6.574 -8.445 1.00 0.00 C ATOM 606 CG LEU A 40 3.131 -7.572 -7.286 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.994 -6.852 -5.950 1.00 0.00 C ATOM 608 CD2 LEU A 40 2.009 -8.585 -7.469 1.00 0.00 C ATOM 0 H LEU A 40 3.441 -4.928 -10.235 1.00 0.00 H new ATOM 0 HA LEU A 40 4.346 -5.016 -7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.233 -5.977 -8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.110 -7.130 -9.382 1.00 0.00 H new ATOM 0 HG LEU A 40 4.081 -8.106 -7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.988 -7.583 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.834 -6.170 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.062 -6.287 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.014 -9.288 -6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.051 -8.066 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.157 -9.128 -8.403 1.00 0.00 H new ATOM 620 N LYS A 41 5.905 -7.050 -9.671 1.00 0.00 N ATOM 621 CA LYS A 41 7.090 -7.880 -9.847 1.00 0.00 C ATOM 622 C LYS A 41 8.359 -7.065 -9.631 1.00 0.00 C ATOM 623 O LYS A 41 9.310 -7.533 -9.003 1.00 0.00 O ATOM 624 CB LYS A 41 7.106 -8.487 -11.248 1.00 0.00 C ATOM 625 CG LYS A 41 8.150 -9.577 -11.421 1.00 0.00 C ATOM 626 CD LYS A 41 8.110 -10.184 -12.812 1.00 0.00 C ATOM 627 CE LYS A 41 9.112 -11.321 -12.949 1.00 0.00 C ATOM 628 NZ LYS A 41 9.060 -11.959 -14.290 1.00 0.00 N ATOM 0 H LYS A 41 5.308 -6.993 -10.496 1.00 0.00 H new ATOM 0 HA LYS A 41 7.056 -8.679 -9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.121 -8.899 -11.469 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.292 -7.697 -11.976 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.141 -9.163 -11.234 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.985 -10.358 -10.679 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.106 -10.554 -13.021 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.326 -9.415 -13.553 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.117 -10.940 -12.769 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.914 -12.072 -12.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.759 -12.727 -14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.109 -12.346 -14.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.275 -11.250 -15.020 1.00 0.00 H new ATOM 642 N ASN A 42 8.355 -5.850 -10.162 1.00 0.00 N ATOM 643 CA ASN A 42 9.482 -4.930 -10.010 1.00 0.00 C ATOM 644 C ASN A 42 9.835 -4.719 -8.540 1.00 0.00 C ATOM 645 O ASN A 42 11.011 -4.723 -8.169 1.00 0.00 O ATOM 646 CB ASN A 42 9.173 -3.577 -10.661 1.00 0.00 C ATOM 647 CG ASN A 42 9.209 -3.630 -12.178 1.00 0.00 C ATOM 648 OD1 ASN A 42 9.916 -4.447 -12.768 1.00 0.00 O ATOM 649 ND2 ASN A 42 8.461 -2.748 -12.825 1.00 0.00 N ATOM 0 H ASN A 42 7.579 -5.473 -10.706 1.00 0.00 H new ATOM 0 HA ASN A 42 10.337 -5.383 -10.512 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.188 -3.240 -10.337 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.894 -2.838 -10.311 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.459 -2.732 -13.845 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.887 -2.086 -12.303 1.00 0.00 H new ATOM 656 N TRP A 43 8.818 -4.538 -7.703 1.00 0.00 N ATOM 657 CA TRP A 43 9.033 -4.352 -6.272 1.00 0.00 C ATOM 658 C TRP A 43 9.515 -5.647 -5.629 1.00 0.00 C ATOM 659 O TRP A 43 10.402 -5.635 -4.775 1.00 0.00 O ATOM 660 CB TRP A 43 7.752 -3.875 -5.578 1.00 0.00 C ATOM 661 CG TRP A 43 7.319 -2.499 -5.984 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.022 -1.600 -6.734 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.081 -1.862 -5.650 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.297 -0.445 -6.887 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.099 -0.583 -6.237 1.00 0.00 C ATOM 666 CE3 TRP A 43 4.957 -2.251 -4.919 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.036 0.307 -6.107 1.00 0.00 C ATOM 668 CZ3 TRP A 43 3.904 -1.369 -4.790 1.00 0.00 C ATOM 669 CH2 TRP A 43 3.948 -0.104 -5.385 1.00 0.00 C ATOM 0 H TRP A 43 7.839 -4.516 -7.990 1.00 0.00 H new ATOM 0 HA TRP A 43 9.799 -3.586 -6.150 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.948 -4.578 -5.797 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.906 -3.893 -4.499 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.005 -1.773 -7.146 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.601 0.382 -7.401 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.912 -3.228 -4.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.069 1.287 -6.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.033 -1.660 -4.221 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.106 0.563 -5.272 1.00 0.00 H new ATOM 680 N ILE A 44 8.932 -6.762 -6.054 1.00 0.00 N ATOM 681 CA ILE A 44 9.286 -8.074 -5.518 1.00 0.00 C ATOM 682 C ILE A 44 10.772 -8.364 -5.709 1.00 0.00 C ATOM 683 O ILE A 44 11.451 -8.782 -4.777 1.00 0.00 O ATOM 684 CB ILE A 44 8.459 -9.202 -6.176 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.971 -8.977 -5.920 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.884 -10.565 -5.639 1.00 0.00 C ATOM 687 CD1 ILE A 44 6.071 -9.920 -6.683 1.00 0.00 C ATOM 0 H ILE A 44 8.208 -6.785 -6.772 1.00 0.00 H new ATOM 0 HA ILE A 44 9.058 -8.049 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 44 8.642 -9.183 -7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.775 -9.086 -4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.717 -7.951 -6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.290 -11.345 -6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.939 -10.729 -5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.727 -10.596 -4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.030 -9.698 -6.449 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.237 -9.795 -7.753 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.296 -10.948 -6.398 1.00 0.00 H new ATOM 699 N ILE A 45 11.272 -8.117 -6.912 1.00 0.00 N ATOM 700 CA ILE A 45 12.672 -8.377 -7.225 1.00 0.00 C ATOM 701 C ILE A 45 13.591 -7.440 -6.439 1.00 0.00 C ATOM 702 O ILE A 45 14.622 -7.859 -5.909 1.00 0.00 O ATOM 703 CB ILE A 45 12.947 -8.221 -8.739 1.00 0.00 C ATOM 704 CG1 ILE A 45 12.056 -9.175 -9.541 1.00 0.00 C ATOM 705 CG2 ILE A 45 14.416 -8.475 -9.053 1.00 0.00 C ATOM 706 CD1 ILE A 45 12.161 -8.993 -11.042 1.00 0.00 C ATOM 0 H ILE A 45 10.730 -7.737 -7.688 1.00 0.00 H new ATOM 0 HA ILE A 45 12.882 -9.407 -6.936 1.00 0.00 H new ATOM 0 HB ILE A 45 12.711 -7.196 -9.026 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.320 -10.202 -9.289 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.019 -9.030 -9.238 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.584 -8.359 -10.124 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.033 -7.760 -8.509 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.683 -9.488 -8.751 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.502 -9.703 -11.542 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.868 -7.977 -11.307 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.189 -9.168 -11.359 1.00 0.00 H new ATOM 718 N LYS A 46 13.191 -6.180 -6.340 1.00 0.00 N ATOM 719 CA LYS A 46 14.012 -5.161 -5.709 1.00 0.00 C ATOM 720 C LYS A 46 14.063 -5.300 -4.186 1.00 0.00 C ATOM 721 O LYS A 46 15.119 -5.125 -3.574 1.00 0.00 O ATOM 722 CB LYS A 46 13.491 -3.778 -6.089 1.00 0.00 C ATOM 723 CG LYS A 46 13.895 -3.339 -7.487 1.00 0.00 C ATOM 724 CD LYS A 46 13.317 -1.978 -7.836 1.00 0.00 C ATOM 725 CE LYS A 46 13.943 -1.416 -9.104 1.00 0.00 C ATOM 726 NZ LYS A 46 13.692 -2.278 -10.292 1.00 0.00 N ATOM 0 H LYS A 46 12.296 -5.839 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 46 15.031 -5.294 -6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.403 -3.776 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.860 -3.049 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.982 -3.302 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.554 -4.077 -8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.238 -2.062 -7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.484 -1.287 -7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.544 -0.419 -9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.018 -1.307 -8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.064 -1.812 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.167 -3.194 -10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.669 -2.431 -10.400 1.00 0.00 H new ATOM 740 N TYR A 47 12.927 -5.598 -3.575 1.00 0.00 N ATOM 741 CA TYR A 47 12.843 -5.637 -2.120 1.00 0.00 C ATOM 742 C TYR A 47 12.913 -7.065 -1.575 1.00 0.00 C ATOM 743 O TYR A 47 13.373 -7.282 -0.455 1.00 0.00 O ATOM 744 CB TYR A 47 11.564 -4.938 -1.654 1.00 0.00 C ATOM 745 CG TYR A 47 11.524 -3.466 -2.012 1.00 0.00 C ATOM 746 CD1 TYR A 47 12.082 -2.511 -1.172 1.00 0.00 C ATOM 747 CD2 TYR A 47 10.943 -3.035 -3.199 1.00 0.00 C ATOM 748 CE1 TYR A 47 12.057 -1.169 -1.502 1.00 0.00 C ATOM 749 CE2 TYR A 47 10.917 -1.696 -3.536 1.00 0.00 C ATOM 750 CZ TYR A 47 11.474 -0.765 -2.684 1.00 0.00 C ATOM 751 OH TYR A 47 11.451 0.573 -3.018 1.00 0.00 O ATOM 0 H TYR A 47 12.055 -5.815 -4.058 1.00 0.00 H new ATOM 0 HA TYR A 47 13.708 -5.106 -1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.703 -5.437 -2.098 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.472 -5.045 -0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.543 -2.822 -0.246 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.504 -3.760 -3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.493 -0.439 -0.836 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.462 -1.379 -4.463 1.00 0.00 H new ATOM 0 HH TYR A 47 12.233 1.020 -2.632 1.00 0.00 H new ATOM 761 N GLY A 48 12.463 -8.030 -2.362 1.00 0.00 N ATOM 762 CA GLY A 48 12.518 -9.419 -1.945 1.00 0.00 C ATOM 763 C GLY A 48 13.444 -10.234 -2.817 1.00 0.00 C ATOM 764 O GLY A 48 13.035 -11.230 -3.414 1.00 0.00 O ATOM 0 H GLY A 48 12.059 -7.877 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.853 -9.474 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.517 -9.848 -1.979 1.00 0.00 H new ATOM 928 N ALA A 61 21.685 -33.409 8.079 1.00 0.00 N ATOM 929 CA ALA A 61 20.447 -34.143 7.855 1.00 0.00 C ATOM 930 C ALA A 61 20.587 -35.130 6.697 1.00 0.00 C ATOM 931 O ALA A 61 19.688 -35.930 6.436 1.00 0.00 O ATOM 932 CB ALA A 61 19.294 -33.184 7.601 1.00 0.00 C ATOM 0 HA ALA A 61 20.232 -34.715 8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.378 -33.752 7.436 1.00 0.00 H new ATOM 0 HB2 ALA A 61 19.166 -32.532 8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 61 19.510 -32.580 6.720 1.00 0.00 H new ATOM 938 N VAL A 62 21.728 -35.084 6.026 1.00 0.00 N ATOM 939 CA VAL A 62 21.993 -35.969 4.896 1.00 0.00 C ATOM 940 C VAL A 62 22.433 -37.338 5.395 1.00 0.00 C ATOM 941 O VAL A 62 22.006 -38.378 4.881 1.00 0.00 O ATOM 942 CB VAL A 62 23.072 -35.387 3.948 1.00 0.00 C ATOM 943 CG1 VAL A 62 23.333 -36.328 2.780 1.00 0.00 C ATOM 944 CG2 VAL A 62 22.656 -34.011 3.443 1.00 0.00 C ATOM 0 H VAL A 62 22.490 -34.441 6.244 1.00 0.00 H new ATOM 0 HA VAL A 62 21.066 -36.064 4.331 1.00 0.00 H new ATOM 0 HB VAL A 62 23.998 -35.282 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 62 24.094 -35.898 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.681 -37.289 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 62 22.412 -36.472 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 62 23.426 -33.619 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 62 21.715 -34.092 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 62 22.529 -33.336 4.289 1.00 0.00 H new ATOM 954 N SER A 63 23.265 -37.331 6.420 1.00 0.00 N ATOM 955 CA SER A 63 23.755 -38.563 7.014 1.00 0.00 C ATOM 956 C SER A 63 22.642 -39.267 7.789 1.00 0.00 C ATOM 957 O SER A 63 22.583 -40.498 7.830 1.00 0.00 O ATOM 958 CB SER A 63 24.934 -38.260 7.937 1.00 0.00 C ATOM 959 OG SER A 63 25.951 -37.548 7.248 1.00 0.00 O ATOM 0 H SER A 63 23.618 -36.482 6.861 1.00 0.00 H new ATOM 0 HA SER A 63 24.088 -39.227 6.217 1.00 0.00 H new ATOM 0 HB2 SER A 63 24.591 -37.676 8.791 1.00 0.00 H new ATOM 0 HB3 SER A 63 25.341 -39.191 8.331 1.00 0.00 H new ATOM 0 HG SER A 63 26.694 -37.364 7.860 1.00 0.00 H new ATOM 965 N GLU A 64 21.756 -38.476 8.388 1.00 0.00 N ATOM 966 CA GLU A 64 20.628 -39.015 9.131 1.00 0.00 C ATOM 967 C GLU A 64 19.608 -39.623 8.179 1.00 0.00 C ATOM 968 O GLU A 64 19.003 -40.652 8.474 1.00 0.00 O ATOM 969 CB GLU A 64 19.985 -37.921 9.986 1.00 0.00 C ATOM 970 CG GLU A 64 18.753 -38.378 10.754 1.00 0.00 C ATOM 971 CD GLU A 64 18.214 -37.315 11.689 1.00 0.00 C ATOM 972 OE1 GLU A 64 18.254 -36.121 11.326 1.00 0.00 O ATOM 973 OE2 GLU A 64 17.764 -37.663 12.804 1.00 0.00 O ATOM 0 H GLU A 64 21.800 -37.457 8.371 1.00 0.00 H new ATOM 0 HA GLU A 64 20.989 -39.802 9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.724 -37.547 10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.710 -37.086 9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.974 -38.661 10.046 1.00 0.00 H new ATOM 0 HG3 GLU A 64 19.000 -39.270 11.330 1.00 0.00 H new ATOM 980 N ALA A 65 19.458 -38.996 7.019 1.00 0.00 N ATOM 981 CA ALA A 65 18.540 -39.470 5.990 1.00 0.00 C ATOM 982 C ALA A 65 18.880 -40.892 5.570 1.00 0.00 C ATOM 983 O ALA A 65 17.989 -41.687 5.284 1.00 0.00 O ATOM 984 CB ALA A 65 18.558 -38.539 4.785 1.00 0.00 C ATOM 0 H ALA A 65 19.966 -38.149 6.765 1.00 0.00 H new ATOM 0 HA ALA A 65 17.534 -39.472 6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 65 17.867 -38.910 4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 65 18.255 -37.538 5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 65 19.565 -38.501 4.369 1.00 0.00 H new ATOM 990 N GLU A 66 20.172 -41.212 5.554 1.00 0.00 N ATOM 991 CA GLU A 66 20.627 -42.563 5.235 1.00 0.00 C ATOM 992 C GLU A 66 20.025 -43.563 6.219 1.00 0.00 C ATOM 993 O GLU A 66 19.470 -44.594 5.829 1.00 0.00 O ATOM 994 CB GLU A 66 22.153 -42.637 5.313 1.00 0.00 C ATOM 995 CG GLU A 66 22.711 -44.013 4.972 1.00 0.00 C ATOM 996 CD GLU A 66 23.999 -44.318 5.707 1.00 0.00 C ATOM 997 OE1 GLU A 66 24.908 -43.461 5.710 1.00 0.00 O ATOM 998 OE2 GLU A 66 24.103 -45.416 6.302 1.00 0.00 O ATOM 0 H GLU A 66 20.923 -40.553 5.759 1.00 0.00 H new ATOM 0 HA GLU A 66 20.304 -42.808 4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 66 22.580 -41.901 4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 66 22.472 -42.363 6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 66 21.969 -44.773 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 66 22.887 -44.074 3.898 1.00 0.00 H new ATOM 1005 N GLN A 67 20.124 -43.231 7.498 1.00 0.00 N ATOM 1006 CA GLN A 67 19.626 -44.086 8.563 1.00 0.00 C ATOM 1007 C GLN A 67 18.102 -44.131 8.527 1.00 0.00 C ATOM 1008 O GLN A 67 17.488 -45.153 8.837 1.00 0.00 O ATOM 1009 CB GLN A 67 20.131 -43.562 9.909 1.00 0.00 C ATOM 1010 CG GLN A 67 21.648 -43.489 9.978 1.00 0.00 C ATOM 1011 CD GLN A 67 22.147 -42.639 11.127 1.00 0.00 C ATOM 1012 OE1 GLN A 67 21.503 -42.539 12.169 1.00 0.00 O ATOM 1013 NE2 GLN A 67 23.304 -42.019 10.938 1.00 0.00 N ATOM 0 H GLN A 67 20.551 -42.364 7.825 1.00 0.00 H new ATOM 0 HA GLN A 67 19.994 -45.102 8.424 1.00 0.00 H new ATOM 0 HB2 GLN A 67 19.715 -42.570 10.087 1.00 0.00 H new ATOM 0 HB3 GLN A 67 19.766 -44.209 10.706 1.00 0.00 H new ATOM 0 HG2 GLN A 67 22.051 -44.497 10.077 1.00 0.00 H new ATOM 0 HG3 GLN A 67 22.030 -43.084 9.041 1.00 0.00 H new ATOM 0 HE21 GLN A 67 23.805 -42.131 10.056 1.00 0.00 H new ATOM 0 HE22 GLN A 67 23.693 -41.430 11.674 1.00 0.00 H new ATOM 1022 N ILE A 68 17.503 -43.020 8.126 1.00 0.00 N ATOM 1023 CA ILE A 68 16.061 -42.941 7.943 1.00 0.00 C ATOM 1024 C ILE A 68 15.599 -43.903 6.843 1.00 0.00 C ATOM 1025 O ILE A 68 14.566 -44.562 6.977 1.00 0.00 O ATOM 1026 CB ILE A 68 15.625 -41.490 7.610 1.00 0.00 C ATOM 1027 CG1 ILE A 68 15.865 -40.577 8.817 1.00 0.00 C ATOM 1028 CG2 ILE A 68 14.166 -41.432 7.181 1.00 0.00 C ATOM 1029 CD1 ILE A 68 15.130 -41.006 10.071 1.00 0.00 C ATOM 0 H ILE A 68 17.999 -42.153 7.919 1.00 0.00 H new ATOM 0 HA ILE A 68 15.587 -43.235 8.880 1.00 0.00 H new ATOM 0 HB ILE A 68 16.230 -41.140 6.774 1.00 0.00 H new ATOM 0 HG12 ILE A 68 16.934 -40.545 9.028 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.560 -39.563 8.559 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.894 -40.401 6.955 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.023 -42.048 6.293 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.535 -41.806 7.987 1.00 0.00 H new ATOM 0 HD11 ILE A 68 15.352 -40.309 10.879 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.057 -41.011 9.880 1.00 0.00 H new ATOM 0 HD13 ILE A 68 15.452 -42.007 10.357 1.00 0.00 H new ATOM 1041 N ARG A 69 16.379 -43.999 5.768 1.00 0.00 N ATOM 1042 CA ARG A 69 16.060 -44.917 4.673 1.00 0.00 C ATOM 1043 C ARG A 69 16.096 -46.361 5.166 1.00 0.00 C ATOM 1044 O ARG A 69 15.308 -47.203 4.729 1.00 0.00 O ATOM 1045 CB ARG A 69 17.041 -44.751 3.506 1.00 0.00 C ATOM 1046 CG ARG A 69 17.118 -43.338 2.953 1.00 0.00 C ATOM 1047 CD ARG A 69 18.069 -43.262 1.768 1.00 0.00 C ATOM 1048 NE ARG A 69 18.413 -41.885 1.417 1.00 0.00 N ATOM 1049 CZ ARG A 69 18.192 -41.339 0.223 1.00 0.00 C ATOM 1050 NH1 ARG A 69 17.547 -42.022 -0.714 1.00 0.00 N ATOM 1051 NH2 ARG A 69 18.607 -40.105 -0.020 1.00 0.00 N ATOM 0 H ARG A 69 17.232 -43.457 5.631 1.00 0.00 H new ATOM 0 HA ARG A 69 15.057 -44.677 4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 69 18.035 -45.055 3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.751 -45.428 2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 69 16.125 -43.010 2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 69 17.452 -42.656 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 69 18.980 -43.813 2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 69 17.612 -43.750 0.907 1.00 0.00 H new ATOM 0 HE ARG A 69 18.851 -41.305 2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.219 -42.968 -0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 69 17.379 -41.601 -1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 69 19.093 -39.578 0.706 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.441 -39.681 -0.933 1.00 0.00 H new ATOM 1065 N GLN A 70 17.016 -46.638 6.079 1.00 0.00 N ATOM 1066 CA GLN A 70 17.150 -47.958 6.666 1.00 0.00 C ATOM 1067 C GLN A 70 15.908 -48.298 7.493 1.00 0.00 C ATOM 1068 O GLN A 70 15.297 -49.352 7.315 1.00 0.00 O ATOM 1069 CB GLN A 70 18.393 -47.984 7.554 1.00 0.00 C ATOM 1070 CG GLN A 70 19.128 -49.313 7.573 1.00 0.00 C ATOM 1071 CD GLN A 70 18.260 -50.477 8.005 1.00 0.00 C ATOM 1072 OE1 GLN A 70 17.650 -51.150 7.176 1.00 0.00 O ATOM 1073 NE2 GLN A 70 18.189 -50.713 9.301 1.00 0.00 N ATOM 0 H GLN A 70 17.687 -45.955 6.431 1.00 0.00 H new ATOM 0 HA GLN A 70 17.250 -48.699 5.873 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.081 -47.208 7.217 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.101 -47.731 8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 70 19.524 -49.515 6.578 1.00 0.00 H new ATOM 0 HG3 GLN A 70 19.982 -49.237 8.246 1.00 0.00 H new ATOM 0 HE21 GLN A 70 18.712 -50.130 9.955 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.612 -51.478 9.649 1.00 0.00 H new ATOM 1082 N LEU A 71 15.530 -47.379 8.374 1.00 0.00 N ATOM 1083 CA LEU A 71 14.398 -47.576 9.268 1.00 0.00 C ATOM 1084 C LEU A 71 13.069 -47.584 8.513 1.00 0.00 C ATOM 1085 O LEU A 71 12.093 -48.174 8.974 1.00 0.00 O ATOM 1086 CB LEU A 71 14.390 -46.488 10.341 1.00 0.00 C ATOM 1087 CG LEU A 71 15.157 -46.813 11.634 1.00 0.00 C ATOM 1088 CD1 LEU A 71 14.588 -48.060 12.293 1.00 0.00 C ATOM 1089 CD2 LEU A 71 16.644 -46.987 11.359 1.00 0.00 C ATOM 0 H LEU A 71 15.998 -46.480 8.488 1.00 0.00 H new ATOM 0 HA LEU A 71 14.511 -48.553 9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 71 14.810 -45.578 9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.354 -46.269 10.601 1.00 0.00 H new ATOM 0 HG LEU A 71 15.036 -45.973 12.318 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.143 -48.274 13.206 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.538 -47.896 12.536 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.674 -48.904 11.609 1.00 0.00 H new ATOM 0 HD21 LEU A 71 17.162 -47.216 12.290 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.790 -47.804 10.652 1.00 0.00 H new ATOM 0 HD23 LEU A 71 17.046 -46.066 10.937 1.00 0.00 H new ATOM 1101 N LYS A 72 13.042 -46.917 7.363 1.00 0.00 N ATOM 1102 CA LYS A 72 11.837 -46.844 6.533 1.00 0.00 C ATOM 1103 C LYS A 72 11.427 -48.224 6.000 1.00 0.00 C ATOM 1104 O LYS A 72 10.295 -48.415 5.545 1.00 0.00 O ATOM 1105 CB LYS A 72 12.063 -45.867 5.368 1.00 0.00 C ATOM 1106 CG LYS A 72 10.818 -45.599 4.535 1.00 0.00 C ATOM 1107 CD LYS A 72 9.721 -44.939 5.357 1.00 0.00 C ATOM 1108 CE LYS A 72 8.434 -44.802 4.562 1.00 0.00 C ATOM 1109 NZ LYS A 72 7.871 -46.125 4.182 1.00 0.00 N ATOM 0 H LYS A 72 13.844 -46.416 6.980 1.00 0.00 H new ATOM 0 HA LYS A 72 11.022 -46.480 7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.432 -44.922 5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.843 -46.265 4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.076 -44.959 3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.448 -46.537 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.534 -45.528 6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.054 -43.954 5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.701 -44.252 5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.624 -44.217 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.875 -46.012 3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.411 -46.516 3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.933 -46.774 4.992 1.00 0.00 H new