USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=7 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 Single : A 7 SER OG : rot 29:sc= 0.12 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.539 K(o=0.54,f=0) USER MOD Single : A 21 SER OG : rot -97:sc= 1.32 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 1.24 K(o=1.2,f=-8.5!) USER MOD Single : A 28 GLN : amide:sc= -0.264 K(o=-0.26,f=-1) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0.51 K(o=0.51,f=-4.7!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.586 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.2) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 0:sc= -0.425 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) USER MOD Single : A 70 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.079) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 4.604 4.182 0.642 1.00 0.00 N ATOM 106 CA SER A 7 5.697 3.849 1.540 1.00 0.00 C ATOM 107 C SER A 7 6.424 2.597 1.053 1.00 0.00 C ATOM 108 O SER A 7 5.805 1.697 0.481 1.00 0.00 O ATOM 109 CB SER A 7 5.159 3.626 2.953 1.00 0.00 C ATOM 110 OG SER A 7 4.441 4.760 3.408 1.00 0.00 O ATOM 0 HA SER A 7 6.404 4.678 1.554 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.509 2.751 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.986 3.418 3.632 1.00 0.00 H new ATOM 0 HG SER A 7 4.050 5.229 2.641 1.00 0.00 H new ATOM 116 N GLU A 8 7.736 2.544 1.268 1.00 0.00 N ATOM 117 CA GLU A 8 8.533 1.371 0.913 1.00 0.00 C ATOM 118 C GLU A 8 8.054 0.148 1.688 1.00 0.00 C ATOM 119 O GLU A 8 8.151 -0.989 1.216 1.00 0.00 O ATOM 120 CB GLU A 8 10.010 1.616 1.213 1.00 0.00 C ATOM 121 CG GLU A 8 10.293 1.909 2.676 1.00 0.00 C ATOM 122 CD GLU A 8 11.762 1.822 3.014 1.00 0.00 C ATOM 123 OE1 GLU A 8 12.513 2.753 2.663 1.00 0.00 O ATOM 124 OE2 GLU A 8 12.172 0.821 3.643 1.00 0.00 O ATOM 0 H GLU A 8 8.272 3.303 1.688 1.00 0.00 H new ATOM 0 HA GLU A 8 8.411 1.190 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.584 0.741 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.361 2.453 0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.927 2.906 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.739 1.205 3.297 1.00 0.00 H new ATOM 131 N GLU A 9 7.530 0.400 2.881 1.00 0.00 N ATOM 132 CA GLU A 9 6.995 -0.634 3.734 1.00 0.00 C ATOM 133 C GLU A 9 5.850 -1.360 3.040 1.00 0.00 C ATOM 134 O GLU A 9 5.652 -2.559 3.227 1.00 0.00 O ATOM 135 CB GLU A 9 6.518 0.006 5.031 1.00 0.00 C ATOM 136 CG GLU A 9 7.609 0.793 5.744 1.00 0.00 C ATOM 137 CD GLU A 9 7.125 1.474 7.007 1.00 0.00 C ATOM 138 OE1 GLU A 9 7.093 0.818 8.071 1.00 0.00 O ATOM 139 OE2 GLU A 9 6.798 2.673 6.947 1.00 0.00 O ATOM 0 H GLU A 9 7.468 1.337 3.279 1.00 0.00 H new ATOM 0 HA GLU A 9 7.769 -1.370 3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.681 0.670 4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.145 -0.772 5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.429 0.120 5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.009 1.545 5.064 1.00 0.00 H new ATOM 146 N PHE A 10 5.118 -0.618 2.218 1.00 0.00 N ATOM 147 CA PHE A 10 4.004 -1.167 1.461 1.00 0.00 C ATOM 148 C PHE A 10 4.520 -2.068 0.341 1.00 0.00 C ATOM 149 O PHE A 10 3.896 -3.072 0.006 1.00 0.00 O ATOM 150 CB PHE A 10 3.156 -0.028 0.889 1.00 0.00 C ATOM 151 CG PHE A 10 1.910 -0.477 0.181 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.809 -0.913 0.900 1.00 0.00 C ATOM 153 CD2 PHE A 10 1.834 -0.450 -1.203 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.344 -1.314 0.253 1.00 0.00 C ATOM 155 CE2 PHE A 10 0.686 -0.853 -1.855 1.00 0.00 C ATOM 156 CZ PHE A 10 -0.406 -1.285 -1.126 1.00 0.00 C ATOM 0 H PHE A 10 5.280 0.376 2.059 1.00 0.00 H new ATOM 0 HA PHE A 10 3.382 -1.768 2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.876 0.643 1.701 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.766 0.549 0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.852 -0.940 1.979 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.683 -0.110 -1.778 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.196 -1.650 0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.641 -0.831 -2.934 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.306 -1.599 -1.634 1.00 0.00 H new ATOM 166 N LYS A 11 5.678 -1.717 -0.217 1.00 0.00 N ATOM 167 CA LYS A 11 6.291 -2.526 -1.263 1.00 0.00 C ATOM 168 C LYS A 11 6.718 -3.880 -0.708 1.00 0.00 C ATOM 169 O LYS A 11 6.521 -4.913 -1.348 1.00 0.00 O ATOM 170 CB LYS A 11 7.497 -1.816 -1.885 1.00 0.00 C ATOM 171 CG LYS A 11 7.141 -0.561 -2.665 1.00 0.00 C ATOM 172 CD LYS A 11 8.345 -0.009 -3.409 1.00 0.00 C ATOM 173 CE LYS A 11 7.975 1.206 -4.241 1.00 0.00 C ATOM 174 NZ LYS A 11 9.144 1.792 -4.952 1.00 0.00 N ATOM 0 H LYS A 11 6.206 -0.882 0.038 1.00 0.00 H new ATOM 0 HA LYS A 11 5.544 -2.677 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.199 -1.553 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.012 -2.510 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.345 -0.786 -3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.755 0.196 -1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.123 0.261 -2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.760 -0.782 -4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.215 0.924 -4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.531 1.963 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.836 2.618 -5.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.860 2.087 -4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.554 1.081 -5.591 1.00 0.00 H new ATOM 188 N ARG A 12 7.292 -3.879 0.494 1.00 0.00 N ATOM 189 CA ARG A 12 7.699 -5.128 1.130 1.00 0.00 C ATOM 190 C ARG A 12 6.473 -5.923 1.568 1.00 0.00 C ATOM 191 O ARG A 12 6.481 -7.155 1.556 1.00 0.00 O ATOM 192 CB ARG A 12 8.626 -4.875 2.325 1.00 0.00 C ATOM 193 CG ARG A 12 9.125 -6.163 2.967 1.00 0.00 C ATOM 194 CD ARG A 12 10.174 -5.913 4.038 1.00 0.00 C ATOM 195 NE ARG A 12 10.627 -7.169 4.636 1.00 0.00 N ATOM 196 CZ ARG A 12 11.903 -7.549 4.714 1.00 0.00 C ATOM 197 NH1 ARG A 12 12.875 -6.758 4.280 1.00 0.00 N ATOM 198 NH2 ARG A 12 12.210 -8.729 5.233 1.00 0.00 N ATOM 0 H ARG A 12 7.483 -3.039 1.040 1.00 0.00 H new ATOM 0 HA ARG A 12 8.256 -5.710 0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.480 -4.283 1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.096 -4.284 3.072 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.282 -6.696 3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.544 -6.810 2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.024 -5.387 3.603 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.761 -5.266 4.812 1.00 0.00 H new ATOM 0 HE ARG A 12 9.920 -7.796 5.019 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.651 -5.847 3.881 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.847 -7.061 4.346 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.471 -9.345 5.572 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.185 -9.021 5.293 1.00 0.00 H new ATOM 212 N ASP A 13 5.413 -5.214 1.938 1.00 0.00 N ATOM 213 CA ASP A 13 4.154 -5.858 2.305 1.00 0.00 C ATOM 214 C ASP A 13 3.551 -6.562 1.098 1.00 0.00 C ATOM 215 O ASP A 13 2.982 -7.646 1.218 1.00 0.00 O ATOM 216 CB ASP A 13 3.159 -4.841 2.870 1.00 0.00 C ATOM 217 CG ASP A 13 1.808 -5.457 3.192 1.00 0.00 C ATOM 218 OD1 ASP A 13 1.707 -6.204 4.189 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.834 -5.176 2.466 1.00 0.00 O ATOM 0 H ASP A 13 5.398 -4.196 1.992 1.00 0.00 H new ATOM 0 HA ASP A 13 4.366 -6.595 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.575 -4.396 3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.023 -4.034 2.150 1.00 0.00 H new ATOM 224 N ALA A 14 3.707 -5.952 -0.070 1.00 0.00 N ATOM 225 CA ALA A 14 3.254 -6.558 -1.312 1.00 0.00 C ATOM 226 C ALA A 14 4.022 -7.850 -1.597 1.00 0.00 C ATOM 227 O ALA A 14 3.472 -8.796 -2.157 1.00 0.00 O ATOM 228 CB ALA A 14 3.410 -5.580 -2.463 1.00 0.00 C ATOM 0 H ALA A 14 4.144 -5.037 -0.182 1.00 0.00 H new ATOM 0 HA ALA A 14 2.198 -6.807 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.067 -6.047 -3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.816 -4.688 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.459 -5.302 -2.565 1.00 0.00 H new ATOM 234 N VAL A 15 5.297 -7.886 -1.205 1.00 0.00 N ATOM 235 CA VAL A 15 6.105 -9.095 -1.331 1.00 0.00 C ATOM 236 C VAL A 15 5.559 -10.185 -0.410 1.00 0.00 C ATOM 237 O VAL A 15 5.432 -11.346 -0.802 1.00 0.00 O ATOM 238 CB VAL A 15 7.594 -8.835 -1.003 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.417 -10.098 -1.236 1.00 0.00 C ATOM 240 CG2 VAL A 15 8.137 -7.692 -1.847 1.00 0.00 C ATOM 0 H VAL A 15 5.790 -7.091 -0.798 1.00 0.00 H new ATOM 0 HA VAL A 15 6.045 -9.421 -2.369 1.00 0.00 H new ATOM 0 HB VAL A 15 7.670 -8.555 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.463 -9.899 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.046 -10.897 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.331 -10.401 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.186 -7.525 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.048 -7.945 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.567 -6.786 -1.642 1.00 0.00 H new ATOM 250 N ALA A 16 5.212 -9.794 0.810 1.00 0.00 N ATOM 251 CA ALA A 16 4.625 -10.716 1.771 1.00 0.00 C ATOM 252 C ALA A 16 3.261 -11.195 1.283 1.00 0.00 C ATOM 253 O ALA A 16 2.884 -12.353 1.480 1.00 0.00 O ATOM 254 CB ALA A 16 4.511 -10.051 3.135 1.00 0.00 C ATOM 0 H ALA A 16 5.328 -8.842 1.157 1.00 0.00 H new ATOM 0 HA ALA A 16 5.275 -11.586 1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.070 -10.751 3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.502 -9.758 3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.878 -9.167 3.057 1.00 0.00 H new ATOM 260 N LEU A 17 2.527 -10.299 0.633 1.00 0.00 N ATOM 261 CA LEU A 17 1.243 -10.643 0.042 1.00 0.00 C ATOM 262 C LEU A 17 1.451 -11.634 -1.103 1.00 0.00 C ATOM 263 O LEU A 17 0.663 -12.562 -1.288 1.00 0.00 O ATOM 264 CB LEU A 17 0.545 -9.376 -0.459 1.00 0.00 C ATOM 265 CG LEU A 17 -0.922 -9.545 -0.862 1.00 0.00 C ATOM 266 CD1 LEU A 17 -1.742 -10.077 0.305 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.494 -8.221 -1.343 1.00 0.00 C ATOM 0 H LEU A 17 2.802 -9.326 0.503 1.00 0.00 H new ATOM 0 HA LEU A 17 0.610 -11.111 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.604 -8.617 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.097 -8.994 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.972 -10.267 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.782 -10.190 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.348 -11.045 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.684 -9.378 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.538 -8.357 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.428 -7.484 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.927 -7.871 -2.206 1.00 0.00 H new ATOM 279 N TYR A 18 2.532 -11.437 -1.853 1.00 0.00 N ATOM 280 CA TYR A 18 2.918 -12.347 -2.928 1.00 0.00 C ATOM 281 C TYR A 18 3.188 -13.753 -2.392 1.00 0.00 C ATOM 282 O TYR A 18 2.882 -14.746 -3.049 1.00 0.00 O ATOM 283 CB TYR A 18 4.156 -11.807 -3.658 1.00 0.00 C ATOM 284 CG TYR A 18 4.832 -12.819 -4.558 1.00 0.00 C ATOM 285 CD1 TYR A 18 4.234 -13.245 -5.740 1.00 0.00 C ATOM 286 CD2 TYR A 18 6.069 -13.350 -4.220 1.00 0.00 C ATOM 287 CE1 TYR A 18 4.853 -14.174 -6.553 1.00 0.00 C ATOM 288 CE2 TYR A 18 6.694 -14.275 -5.030 1.00 0.00 C ATOM 289 CZ TYR A 18 6.082 -14.685 -6.194 1.00 0.00 C ATOM 290 OH TYR A 18 6.703 -15.612 -7.001 1.00 0.00 O ATOM 0 H TYR A 18 3.163 -10.645 -1.733 1.00 0.00 H new ATOM 0 HA TYR A 18 2.089 -12.411 -3.633 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.865 -10.943 -4.255 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.876 -11.456 -2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.273 -12.844 -6.025 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.551 -13.033 -3.307 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.376 -14.499 -7.466 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.658 -14.676 -4.753 1.00 0.00 H new ATOM 0 HH TYR A 18 7.561 -15.868 -6.604 1.00 0.00 H new ATOM 300 N GLU A 19 3.755 -13.834 -1.200 1.00 0.00 N ATOM 301 CA GLU A 19 3.985 -15.121 -0.552 1.00 0.00 C ATOM 302 C GLU A 19 2.667 -15.870 -0.346 1.00 0.00 C ATOM 303 O GLU A 19 2.634 -17.101 -0.321 1.00 0.00 O ATOM 304 CB GLU A 19 4.678 -14.919 0.794 1.00 0.00 C ATOM 305 CG GLU A 19 6.133 -14.497 0.681 1.00 0.00 C ATOM 306 CD GLU A 19 7.018 -15.596 0.135 1.00 0.00 C ATOM 307 OE1 GLU A 19 7.153 -16.641 0.806 1.00 0.00 O ATOM 308 OE2 GLU A 19 7.591 -15.420 -0.958 1.00 0.00 O ATOM 0 H GLU A 19 4.065 -13.027 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 19 4.627 -15.717 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.134 -14.164 1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.622 -15.847 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.204 -13.623 0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.497 -14.197 1.663 1.00 0.00 H new ATOM 315 N ASN A 20 1.583 -15.118 -0.215 1.00 0.00 N ATOM 316 CA ASN A 20 0.273 -15.695 0.025 1.00 0.00 C ATOM 317 C ASN A 20 -0.549 -15.728 -1.261 1.00 0.00 C ATOM 318 O ASN A 20 -1.776 -15.828 -1.217 1.00 0.00 O ATOM 319 CB ASN A 20 -0.473 -14.890 1.095 1.00 0.00 C ATOM 320 CG ASN A 20 0.154 -15.010 2.468 1.00 0.00 C ATOM 321 OD1 ASN A 20 -0.163 -15.923 3.233 1.00 0.00 O ATOM 322 ND2 ASN A 20 1.043 -14.086 2.795 1.00 0.00 N ATOM 0 H ASN A 20 1.589 -14.100 -0.272 1.00 0.00 H new ATOM 0 HA ASN A 20 0.412 -16.717 0.376 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.496 -13.840 0.802 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.507 -15.230 1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.494 -14.113 3.710 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.277 -13.347 2.132 1.00 0.00 H new ATOM 329 N SER A 21 0.129 -15.676 -2.405 1.00 0.00 N ATOM 330 CA SER A 21 -0.544 -15.669 -3.703 1.00 0.00 C ATOM 331 C SER A 21 -1.265 -16.987 -3.971 1.00 0.00 C ATOM 332 O SER A 21 -2.075 -17.093 -4.895 1.00 0.00 O ATOM 333 CB SER A 21 0.447 -15.376 -4.823 1.00 0.00 C ATOM 334 OG SER A 21 1.563 -16.246 -4.764 1.00 0.00 O ATOM 0 H SER A 21 1.147 -15.638 -2.460 1.00 0.00 H new ATOM 0 HA SER A 21 -1.292 -14.876 -3.676 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.049 -15.483 -5.788 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.785 -14.342 -4.751 1.00 0.00 H new ATOM 0 HG SER A 21 2.300 -15.801 -4.296 1.00 0.00 H new ATOM 340 N ASP A 22 -0.957 -17.997 -3.177 1.00 0.00 N ATOM 341 CA ASP A 22 -1.684 -19.256 -3.244 1.00 0.00 C ATOM 342 C ASP A 22 -3.154 -19.024 -2.905 1.00 0.00 C ATOM 343 O ASP A 22 -4.033 -19.758 -3.353 1.00 0.00 O ATOM 344 CB ASP A 22 -1.072 -20.286 -2.294 1.00 0.00 C ATOM 345 CG ASP A 22 -1.756 -21.635 -2.393 1.00 0.00 C ATOM 346 OD1 ASP A 22 -1.702 -22.256 -3.476 1.00 0.00 O ATOM 347 OD2 ASP A 22 -2.351 -22.082 -1.389 1.00 0.00 O ATOM 0 H ASP A 22 -0.212 -17.972 -2.481 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.612 -19.648 -4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.012 -20.401 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.142 -19.920 -1.270 1.00 0.00 H new ATOM 352 N GLY A 23 -3.411 -17.979 -2.127 1.00 0.00 N ATOM 353 CA GLY A 23 -4.771 -17.624 -1.775 1.00 0.00 C ATOM 354 C GLY A 23 -5.313 -16.495 -2.630 1.00 0.00 C ATOM 355 O GLY A 23 -6.526 -16.334 -2.753 1.00 0.00 O ATOM 0 H GLY A 23 -2.696 -17.368 -1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.412 -18.499 -1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.807 -17.331 -0.726 1.00 0.00 H new ATOM 359 N ALA A 24 -4.414 -15.730 -3.242 1.00 0.00 N ATOM 360 CA ALA A 24 -4.802 -14.588 -4.054 1.00 0.00 C ATOM 361 C ALA A 24 -3.913 -14.497 -5.288 1.00 0.00 C ATOM 362 O ALA A 24 -2.698 -14.356 -5.178 1.00 0.00 O ATOM 363 CB ALA A 24 -4.727 -13.304 -3.238 1.00 0.00 C ATOM 0 H ALA A 24 -3.407 -15.884 -3.189 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.833 -14.722 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.021 -12.459 -3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.400 -13.376 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.707 -13.157 -2.884 1.00 0.00 H new ATOM 369 N SER A 25 -4.530 -14.574 -6.455 1.00 0.00 N ATOM 370 CA SER A 25 -3.800 -14.634 -7.715 1.00 0.00 C ATOM 371 C SER A 25 -2.961 -13.375 -7.941 1.00 0.00 C ATOM 372 O SER A 25 -3.294 -12.295 -7.447 1.00 0.00 O ATOM 373 CB SER A 25 -4.790 -14.832 -8.862 1.00 0.00 C ATOM 374 OG SER A 25 -5.615 -15.961 -8.619 1.00 0.00 O ATOM 0 H SER A 25 -5.544 -14.597 -6.558 1.00 0.00 H new ATOM 0 HA SER A 25 -3.111 -15.477 -7.676 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.407 -13.941 -8.975 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.248 -14.965 -9.798 1.00 0.00 H new ATOM 0 HG SER A 25 -6.244 -16.072 -9.362 1.00 0.00 H new ATOM 380 N LEU A 26 -1.870 -13.540 -8.691 1.00 0.00 N ATOM 381 CA LEU A 26 -0.919 -12.463 -8.963 1.00 0.00 C ATOM 382 C LEU A 26 -1.621 -11.206 -9.480 1.00 0.00 C ATOM 383 O LEU A 26 -1.305 -10.096 -9.050 1.00 0.00 O ATOM 384 CB LEU A 26 0.129 -12.934 -9.981 1.00 0.00 C ATOM 385 CG LEU A 26 1.589 -12.800 -9.531 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.519 -13.423 -10.558 1.00 0.00 C ATOM 387 CD2 LEU A 26 1.948 -11.340 -9.310 1.00 0.00 C ATOM 0 H LEU A 26 -1.621 -14.428 -9.128 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.428 -12.208 -8.024 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.065 -13.980 -10.220 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.003 -12.367 -10.902 1.00 0.00 H new ATOM 0 HG LEU A 26 1.708 -13.331 -8.587 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.551 -13.320 -10.224 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.279 -14.480 -10.673 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.395 -12.917 -11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.988 -11.265 -8.991 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.813 -10.787 -10.240 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.301 -10.919 -8.540 1.00 0.00 H new ATOM 399 N GLN A 27 -2.569 -11.377 -10.401 1.00 0.00 N ATOM 400 CA GLN A 27 -3.325 -10.246 -10.922 1.00 0.00 C ATOM 401 C GLN A 27 -4.099 -9.555 -9.806 1.00 0.00 C ATOM 402 O GLN A 27 -4.076 -8.334 -9.703 1.00 0.00 O ATOM 403 CB GLN A 27 -4.291 -10.671 -12.030 1.00 0.00 C ATOM 404 CG GLN A 27 -5.075 -9.502 -12.624 1.00 0.00 C ATOM 405 CD GLN A 27 -4.175 -8.446 -13.235 1.00 0.00 C ATOM 406 OE1 GLN A 27 -3.064 -8.737 -13.676 1.00 0.00 O ATOM 407 NE2 GLN A 27 -4.661 -7.219 -13.298 1.00 0.00 N ATOM 0 H GLN A 27 -2.828 -12.281 -10.797 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.604 -9.548 -11.347 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.730 -11.164 -12.823 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.991 -11.405 -11.631 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.758 -9.877 -13.386 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.686 -9.046 -11.845 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.587 -7.017 -12.921 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.110 -6.474 -13.724 1.00 0.00 H new ATOM 416 N GLN A 28 -4.759 -10.345 -8.965 1.00 0.00 N ATOM 417 CA GLN A 28 -5.570 -9.808 -7.875 1.00 0.00 C ATOM 418 C GLN A 28 -4.721 -8.963 -6.929 1.00 0.00 C ATOM 419 O GLN A 28 -5.174 -7.928 -6.438 1.00 0.00 O ATOM 420 CB GLN A 28 -6.256 -10.942 -7.104 1.00 0.00 C ATOM 421 CG GLN A 28 -7.113 -10.462 -5.941 1.00 0.00 C ATOM 422 CD GLN A 28 -8.120 -9.403 -6.354 1.00 0.00 C ATOM 423 OE1 GLN A 28 -8.601 -9.387 -7.486 1.00 0.00 O ATOM 424 NE2 GLN A 28 -8.446 -8.510 -5.435 1.00 0.00 N ATOM 0 H GLN A 28 -4.749 -11.364 -9.017 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.338 -9.168 -8.310 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.880 -11.512 -7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.495 -11.624 -6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.642 -11.312 -5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.467 -10.059 -5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.025 -8.556 -4.507 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.118 -7.775 -5.654 1.00 0.00 H new ATOM 433 N ILE A 29 -3.493 -9.403 -6.687 1.00 0.00 N ATOM 434 CA ILE A 29 -2.564 -8.656 -5.843 1.00 0.00 C ATOM 435 C ILE A 29 -2.364 -7.243 -6.392 1.00 0.00 C ATOM 436 O ILE A 29 -2.584 -6.258 -5.691 1.00 0.00 O ATOM 437 CB ILE A 29 -1.189 -9.361 -5.736 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.357 -10.825 -5.309 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.288 -8.620 -4.755 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.006 -10.998 -3.953 1.00 0.00 C ATOM 0 H ILE A 29 -3.115 -10.273 -7.062 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.003 -8.607 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.720 -9.346 -6.720 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.956 -11.345 -6.057 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.378 -11.304 -5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.675 -9.127 -4.691 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.137 -7.597 -5.101 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.757 -8.605 -3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.090 -12.060 -3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.397 -10.509 -3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.000 -10.550 -3.965 1.00 0.00 H new ATOM 452 N ALA A 30 -1.971 -7.150 -7.657 1.00 0.00 N ATOM 453 CA ALA A 30 -1.741 -5.858 -8.296 1.00 0.00 C ATOM 454 C ALA A 30 -3.060 -5.111 -8.511 1.00 0.00 C ATOM 455 O ALA A 30 -3.117 -3.884 -8.432 1.00 0.00 O ATOM 456 CB ALA A 30 -1.014 -6.062 -9.617 1.00 0.00 C ATOM 0 H ALA A 30 -1.805 -7.954 -8.262 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.119 -5.248 -7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.844 -5.096 -10.092 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.057 -6.550 -9.434 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.620 -6.687 -10.273 1.00 0.00 H new ATOM 462 N ASN A 31 -4.119 -5.869 -8.762 1.00 0.00 N ATOM 463 CA ASN A 31 -5.449 -5.314 -8.999 1.00 0.00 C ATOM 464 C ASN A 31 -5.958 -4.599 -7.751 1.00 0.00 C ATOM 465 O ASN A 31 -6.512 -3.503 -7.825 1.00 0.00 O ATOM 466 CB ASN A 31 -6.408 -6.443 -9.390 1.00 0.00 C ATOM 467 CG ASN A 31 -7.754 -5.952 -9.875 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.683 -5.760 -9.089 1.00 0.00 O ATOM 469 ND2 ASN A 31 -7.876 -5.777 -11.179 1.00 0.00 N ATOM 0 H ASN A 31 -4.082 -6.887 -8.808 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.394 -4.588 -9.811 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.947 -7.046 -10.172 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.557 -7.096 -8.530 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.766 -5.471 -11.571 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.080 -5.948 -11.793 1.00 0.00 H new ATOM 476 N ASP A 32 -5.737 -5.221 -6.602 1.00 0.00 N ATOM 477 CA ASP A 32 -6.167 -4.666 -5.326 1.00 0.00 C ATOM 478 C ASP A 32 -5.328 -3.445 -4.967 1.00 0.00 C ATOM 479 O ASP A 32 -5.854 -2.428 -4.513 1.00 0.00 O ATOM 480 CB ASP A 32 -6.045 -5.727 -4.233 1.00 0.00 C ATOM 481 CG ASP A 32 -6.701 -5.310 -2.935 1.00 0.00 C ATOM 482 OD1 ASP A 32 -7.908 -5.588 -2.760 1.00 0.00 O ATOM 483 OD2 ASP A 32 -6.016 -4.726 -2.073 1.00 0.00 O ATOM 0 H ASP A 32 -5.258 -6.118 -6.527 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.209 -4.357 -5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.498 -6.655 -4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.991 -5.935 -4.051 1.00 0.00 H new ATOM 488 N LEU A 33 -4.024 -3.552 -5.199 1.00 0.00 N ATOM 489 CA LEU A 33 -3.090 -2.470 -4.894 1.00 0.00 C ATOM 490 C LEU A 33 -3.281 -1.291 -5.844 1.00 0.00 C ATOM 491 O LEU A 33 -3.028 -0.142 -5.481 1.00 0.00 O ATOM 492 CB LEU A 33 -1.642 -2.972 -4.965 1.00 0.00 C ATOM 493 CG LEU A 33 -1.064 -3.535 -3.658 1.00 0.00 C ATOM 494 CD1 LEU A 33 -1.929 -4.658 -3.104 1.00 0.00 C ATOM 495 CD2 LEU A 33 0.359 -4.020 -3.887 1.00 0.00 C ATOM 0 H LEU A 33 -3.586 -4.382 -5.600 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.298 -2.129 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.583 -3.747 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.008 -2.149 -5.296 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.054 -2.734 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.490 -5.033 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.931 -4.280 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.986 -5.467 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.762 -4.418 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.359 -4.802 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.977 -3.188 -4.224 1.00 0.00 H new ATOM 507 N GLY A 34 -3.728 -1.579 -7.060 1.00 0.00 N ATOM 508 CA GLY A 34 -3.984 -0.528 -8.029 1.00 0.00 C ATOM 509 C GLY A 34 -2.787 -0.254 -8.913 1.00 0.00 C ATOM 510 O GLY A 34 -2.568 0.877 -9.342 1.00 0.00 O ATOM 0 H GLY A 34 -3.919 -2.524 -7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.834 -0.810 -8.650 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.262 0.386 -7.504 1.00 0.00 H new ATOM 514 N ILE A 35 -2.006 -1.291 -9.181 1.00 0.00 N ATOM 515 CA ILE A 35 -0.827 -1.164 -10.024 1.00 0.00 C ATOM 516 C ILE A 35 -0.828 -2.237 -11.103 1.00 0.00 C ATOM 517 O ILE A 35 -1.700 -3.107 -11.121 1.00 0.00 O ATOM 518 CB ILE A 35 0.474 -1.272 -9.204 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.475 -2.558 -8.372 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.649 -0.047 -8.316 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.746 -2.774 -7.579 1.00 0.00 C ATOM 0 H ILE A 35 -2.169 -2.233 -8.825 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.865 -0.177 -10.484 1.00 0.00 H new ATOM 0 HB ILE A 35 1.318 -1.312 -9.893 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.371 -2.535 -7.685 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.324 -3.409 -9.036 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.572 -0.141 -7.745 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.695 0.848 -8.936 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.195 0.029 -7.631 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.670 -3.704 -7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.595 -2.830 -8.260 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.890 -1.943 -6.888 1.00 0.00 H new ATOM 533 N ASN A 36 0.135 -2.167 -12.009 1.00 0.00 N ATOM 534 CA ASN A 36 0.271 -3.171 -13.044 1.00 0.00 C ATOM 535 C ASN A 36 0.954 -4.412 -12.489 1.00 0.00 C ATOM 536 O ASN A 36 1.722 -4.332 -11.528 1.00 0.00 O ATOM 537 CB ASN A 36 1.073 -2.610 -14.216 1.00 0.00 C ATOM 538 CG ASN A 36 0.970 -3.481 -15.446 1.00 0.00 C ATOM 539 OD1 ASN A 36 1.778 -4.386 -15.657 1.00 0.00 O ATOM 540 ND2 ASN A 36 -0.037 -3.220 -16.260 1.00 0.00 N ATOM 0 H ASN A 36 0.833 -1.424 -12.046 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.723 -3.447 -13.396 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.716 -1.607 -14.452 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.119 -2.516 -13.926 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.169 -3.779 -17.103 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.682 -2.460 -16.045 1.00 0.00 H new ATOM 547 N ARG A 37 0.672 -5.554 -13.105 1.00 0.00 N ATOM 548 CA ARG A 37 1.248 -6.826 -12.685 1.00 0.00 C ATOM 549 C ARG A 37 2.770 -6.772 -12.752 1.00 0.00 C ATOM 550 O ARG A 37 3.461 -7.351 -11.913 1.00 0.00 O ATOM 551 CB ARG A 37 0.721 -7.955 -13.575 1.00 0.00 C ATOM 552 CG ARG A 37 1.128 -9.346 -13.115 1.00 0.00 C ATOM 553 CD ARG A 37 0.643 -10.410 -14.086 1.00 0.00 C ATOM 554 NE ARG A 37 -0.797 -10.330 -14.322 1.00 0.00 N ATOM 555 CZ ARG A 37 -1.496 -11.247 -14.991 1.00 0.00 C ATOM 556 NH1 ARG A 37 -0.893 -12.315 -15.490 1.00 0.00 N ATOM 557 NH2 ARG A 37 -2.797 -11.086 -15.163 1.00 0.00 N ATOM 0 H ARG A 37 0.042 -5.625 -13.904 1.00 0.00 H new ATOM 0 HA ARG A 37 0.955 -7.019 -11.653 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.367 -7.899 -13.610 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.081 -7.800 -14.592 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.213 -9.399 -13.025 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.716 -9.539 -12.124 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.171 -10.302 -15.034 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.891 -11.397 -13.694 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.298 -9.522 -13.952 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.111 -12.439 -15.363 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.433 -13.013 -16.001 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.263 -10.262 -14.784 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.334 -11.786 -15.675 1.00 0.00 H new ATOM 571 N VAL A 38 3.285 -6.054 -13.746 1.00 0.00 N ATOM 572 CA VAL A 38 4.728 -5.924 -13.923 1.00 0.00 C ATOM 573 C VAL A 38 5.315 -4.995 -12.862 1.00 0.00 C ATOM 574 O VAL A 38 6.376 -5.272 -12.303 1.00 0.00 O ATOM 575 CB VAL A 38 5.086 -5.395 -15.329 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.592 -5.349 -15.525 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.435 -6.256 -16.398 1.00 0.00 C ATOM 0 H VAL A 38 2.727 -5.555 -14.439 1.00 0.00 H new ATOM 0 HA VAL A 38 5.158 -6.919 -13.814 1.00 0.00 H new ATOM 0 HB VAL A 38 4.703 -4.378 -15.419 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.818 -4.973 -16.523 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.036 -4.689 -14.780 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.004 -6.352 -15.413 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.696 -5.871 -17.384 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.789 -7.283 -16.304 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.352 -6.233 -16.274 1.00 0.00 H new ATOM 587 N THR A 39 4.608 -3.904 -12.581 1.00 0.00 N ATOM 588 CA THR A 39 5.012 -2.972 -11.539 1.00 0.00 C ATOM 589 C THR A 39 5.129 -3.694 -10.199 1.00 0.00 C ATOM 590 O THR A 39 6.076 -3.479 -9.441 1.00 0.00 O ATOM 591 CB THR A 39 3.996 -1.825 -11.410 1.00 0.00 C ATOM 592 OG1 THR A 39 3.681 -1.311 -12.713 1.00 0.00 O ATOM 593 CG2 THR A 39 4.541 -0.705 -10.536 1.00 0.00 C ATOM 0 H THR A 39 3.748 -3.645 -13.065 1.00 0.00 H new ATOM 0 HA THR A 39 5.982 -2.558 -11.815 1.00 0.00 H new ATOM 0 HB THR A 39 3.094 -2.218 -10.940 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.032 -0.581 -12.629 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.801 0.092 -10.463 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.757 -1.093 -9.540 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.456 -0.311 -10.978 1.00 0.00 H new ATOM 601 N LEU A 40 4.160 -4.563 -9.928 1.00 0.00 N ATOM 602 CA LEU A 40 4.157 -5.369 -8.718 1.00 0.00 C ATOM 603 C LEU A 40 5.395 -6.260 -8.664 1.00 0.00 C ATOM 604 O LEU A 40 6.073 -6.335 -7.640 1.00 0.00 O ATOM 605 CB LEU A 40 2.894 -6.227 -8.668 1.00 0.00 C ATOM 606 CG LEU A 40 2.785 -7.162 -7.465 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.638 -6.367 -6.177 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.619 -8.117 -7.644 1.00 0.00 C ATOM 0 H LEU A 40 3.360 -4.726 -10.539 1.00 0.00 H new ATOM 0 HA LEU A 40 4.172 -4.702 -7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.026 -5.567 -8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.845 -6.826 -9.578 1.00 0.00 H new ATOM 0 HG LEU A 40 3.702 -7.747 -7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.562 -7.053 -5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.508 -5.724 -6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.738 -5.754 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.553 -8.777 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.694 -7.548 -7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.771 -8.712 -8.544 1.00 0.00 H new ATOM 620 N LYS A 41 5.692 -6.918 -9.780 1.00 0.00 N ATOM 621 CA LYS A 41 6.842 -7.810 -9.860 1.00 0.00 C ATOM 622 C LYS A 41 8.132 -7.048 -9.594 1.00 0.00 C ATOM 623 O LYS A 41 9.018 -7.531 -8.890 1.00 0.00 O ATOM 624 CB LYS A 41 6.920 -8.470 -11.232 1.00 0.00 C ATOM 625 CG LYS A 41 7.933 -9.598 -11.294 1.00 0.00 C ATOM 626 CD LYS A 41 8.006 -10.224 -12.676 1.00 0.00 C ATOM 627 CE LYS A 41 8.988 -11.383 -12.698 1.00 0.00 C ATOM 628 NZ LYS A 41 9.076 -12.020 -14.037 1.00 0.00 N ATOM 0 H LYS A 41 5.151 -6.850 -10.642 1.00 0.00 H new ATOM 0 HA LYS A 41 6.717 -8.581 -9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.937 -8.858 -11.498 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.178 -7.717 -11.977 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.916 -9.218 -11.016 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.669 -10.363 -10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.018 -10.575 -12.973 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.309 -9.472 -13.404 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.975 -11.026 -12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.684 -12.128 -11.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.757 -12.805 -14.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.141 -12.384 -14.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.391 -11.317 -14.736 1.00 0.00 H new ATOM 642 N ASN A 42 8.222 -5.856 -10.168 1.00 0.00 N ATOM 643 CA ASN A 42 9.384 -4.987 -9.980 1.00 0.00 C ATOM 644 C ASN A 42 9.626 -4.699 -8.498 1.00 0.00 C ATOM 645 O ASN A 42 10.771 -4.673 -8.040 1.00 0.00 O ATOM 646 CB ASN A 42 9.206 -3.675 -10.753 1.00 0.00 C ATOM 647 CG ASN A 42 9.325 -3.861 -12.253 1.00 0.00 C ATOM 648 OD1 ASN A 42 10.012 -4.765 -12.726 1.00 0.00 O ATOM 649 ND2 ASN A 42 8.665 -3.003 -13.014 1.00 0.00 N ATOM 0 H ASN A 42 7.500 -5.463 -10.773 1.00 0.00 H new ATOM 0 HA ASN A 42 10.257 -5.510 -10.371 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.230 -3.250 -10.520 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.955 -2.957 -10.419 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.716 -3.078 -14.030 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.105 -2.266 -12.585 1.00 0.00 H new ATOM 656 N TRP A 43 8.545 -4.496 -7.750 1.00 0.00 N ATOM 657 CA TRP A 43 8.643 -4.276 -6.310 1.00 0.00 C ATOM 658 C TRP A 43 9.157 -5.534 -5.618 1.00 0.00 C ATOM 659 O TRP A 43 9.993 -5.466 -4.711 1.00 0.00 O ATOM 660 CB TRP A 43 7.280 -3.882 -5.728 1.00 0.00 C ATOM 661 CG TRP A 43 6.805 -2.523 -6.154 1.00 0.00 C ATOM 662 CD1 TRP A 43 7.423 -1.668 -7.021 1.00 0.00 C ATOM 663 CD2 TRP A 43 5.610 -1.862 -5.722 1.00 0.00 C ATOM 664 NE1 TRP A 43 6.688 -0.514 -7.154 1.00 0.00 N ATOM 665 CE2 TRP A 43 5.569 -0.610 -6.366 1.00 0.00 C ATOM 666 CE3 TRP A 43 4.572 -2.205 -4.852 1.00 0.00 C ATOM 667 CZ2 TRP A 43 4.528 0.296 -6.169 1.00 0.00 C ATOM 668 CZ3 TRP A 43 3.540 -1.307 -4.658 1.00 0.00 C ATOM 669 CH2 TRP A 43 3.525 -0.068 -5.311 1.00 0.00 C ATOM 0 H TRP A 43 7.593 -4.479 -8.116 1.00 0.00 H new ATOM 0 HA TRP A 43 9.345 -3.461 -6.136 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.540 -4.625 -6.027 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.339 -3.911 -4.640 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.355 -1.869 -7.529 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.934 0.283 -7.742 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.576 -3.156 -4.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.513 1.250 -6.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.731 -1.565 -3.991 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.706 0.614 -5.134 1.00 0.00 H new ATOM 680 N ILE A 44 8.663 -6.680 -6.073 1.00 0.00 N ATOM 681 CA ILE A 44 9.060 -7.969 -5.525 1.00 0.00 C ATOM 682 C ILE A 44 10.542 -8.237 -5.781 1.00 0.00 C ATOM 683 O ILE A 44 11.240 -8.769 -4.924 1.00 0.00 O ATOM 684 CB ILE A 44 8.217 -9.115 -6.131 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.729 -8.868 -5.873 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.643 -10.460 -5.553 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.822 -9.853 -6.575 1.00 0.00 C ATOM 0 H ILE A 44 7.980 -6.741 -6.828 1.00 0.00 H new ATOM 0 HA ILE A 44 8.885 -7.933 -4.450 1.00 0.00 H new ATOM 0 HB ILE A 44 8.386 -9.138 -7.208 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.542 -8.915 -4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.475 -7.859 -6.197 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.038 -11.253 -5.992 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.694 -10.637 -5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.502 -10.453 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.783 -9.617 -6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.980 -9.790 -7.652 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.048 -10.863 -6.233 1.00 0.00 H new ATOM 699 N ILE A 45 11.016 -7.852 -6.958 1.00 0.00 N ATOM 700 CA ILE A 45 12.422 -8.023 -7.311 1.00 0.00 C ATOM 701 C ILE A 45 13.322 -7.239 -6.358 1.00 0.00 C ATOM 702 O ILE A 45 14.299 -7.772 -5.825 1.00 0.00 O ATOM 703 CB ILE A 45 12.701 -7.573 -8.766 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.895 -8.431 -9.746 1.00 0.00 C ATOM 705 CG2 ILE A 45 14.191 -7.661 -9.083 1.00 0.00 C ATOM 706 CD1 ILE A 45 12.036 -8.005 -11.192 1.00 0.00 C ATOM 0 H ILE A 45 10.448 -7.419 -7.686 1.00 0.00 H new ATOM 0 HA ILE A 45 12.646 -9.086 -7.226 1.00 0.00 H new ATOM 0 HB ILE A 45 12.392 -6.533 -8.872 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.212 -9.469 -9.651 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.842 -8.392 -9.467 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.364 -7.340 -10.110 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.746 -7.015 -8.403 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.528 -8.690 -8.963 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.436 -8.660 -11.824 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.691 -6.977 -11.304 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.082 -8.071 -11.490 1.00 0.00 H new ATOM 718 N LYS A 46 12.967 -5.982 -6.124 1.00 0.00 N ATOM 719 CA LYS A 46 13.779 -5.096 -5.300 1.00 0.00 C ATOM 720 C LYS A 46 13.789 -5.537 -3.835 1.00 0.00 C ATOM 721 O LYS A 46 14.851 -5.785 -3.260 1.00 0.00 O ATOM 722 CB LYS A 46 13.272 -3.652 -5.419 1.00 0.00 C ATOM 723 CG LYS A 46 14.105 -2.642 -4.643 1.00 0.00 C ATOM 724 CD LYS A 46 13.654 -1.211 -4.907 1.00 0.00 C ATOM 725 CE LYS A 46 14.541 -0.206 -4.186 1.00 0.00 C ATOM 726 NZ LYS A 46 14.145 1.201 -4.474 1.00 0.00 N ATOM 0 H LYS A 46 12.119 -5.552 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 46 14.804 -5.148 -5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.260 -3.367 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.242 -3.608 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.032 -2.855 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.154 -2.749 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.675 -1.013 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.622 -1.087 -4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.490 -0.384 -3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.578 -0.359 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.776 1.851 -3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.218 1.380 -5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.164 1.356 -4.165 1.00 0.00 H new ATOM 740 N TYR A 47 12.609 -5.654 -3.238 1.00 0.00 N ATOM 741 CA TYR A 47 12.508 -5.913 -1.804 1.00 0.00 C ATOM 742 C TYR A 47 12.552 -7.404 -1.481 1.00 0.00 C ATOM 743 O TYR A 47 12.844 -7.786 -0.349 1.00 0.00 O ATOM 744 CB TYR A 47 11.234 -5.281 -1.237 1.00 0.00 C ATOM 745 CG TYR A 47 11.283 -3.769 -1.227 1.00 0.00 C ATOM 746 CD1 TYR A 47 11.043 -3.044 -2.386 1.00 0.00 C ATOM 747 CD2 TYR A 47 11.588 -3.073 -0.065 1.00 0.00 C ATOM 748 CE1 TYR A 47 11.105 -1.668 -2.387 1.00 0.00 C ATOM 749 CE2 TYR A 47 11.654 -1.692 -0.060 1.00 0.00 C ATOM 750 CZ TYR A 47 11.411 -0.996 -1.225 1.00 0.00 C ATOM 751 OH TYR A 47 11.481 0.378 -1.236 1.00 0.00 O ATOM 0 H TYR A 47 11.713 -5.575 -3.719 1.00 0.00 H new ATOM 0 HA TYR A 47 13.377 -5.455 -1.331 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.378 -5.608 -1.827 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.077 -5.641 -0.220 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.804 -3.566 -3.301 1.00 0.00 H new ATOM 0 HD2 TYR A 47 11.776 -3.618 0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.914 -1.118 -3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.894 -1.162 0.850 1.00 0.00 H new ATOM 0 HH TYR A 47 11.289 0.708 -2.139 1.00 0.00 H new ATOM 761 N GLY A 48 12.270 -8.239 -2.469 1.00 0.00 N ATOM 762 CA GLY A 48 12.332 -9.674 -2.270 1.00 0.00 C ATOM 763 C GLY A 48 13.761 -10.180 -2.195 1.00 0.00 C ATOM 764 O GLY A 48 14.042 -11.173 -1.523 1.00 0.00 O ATOM 0 H GLY A 48 11.998 -7.949 -3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.807 -9.935 -1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.813 -10.175 -3.087 1.00 0.00 H new ATOM 928 N ALA A 61 31.440 -10.648 -14.414 1.00 0.00 N ATOM 929 CA ALA A 61 30.821 -11.967 -14.337 1.00 0.00 C ATOM 930 C ALA A 61 30.626 -12.583 -15.717 1.00 0.00 C ATOM 931 O ALA A 61 30.207 -13.729 -15.838 1.00 0.00 O ATOM 932 CB ALA A 61 29.495 -11.891 -13.592 1.00 0.00 C ATOM 0 HA ALA A 61 31.499 -12.616 -13.783 1.00 0.00 H new ATOM 0 HB1 ALA A 61 29.047 -12.884 -13.544 1.00 0.00 H new ATOM 0 HB2 ALA A 61 29.666 -11.521 -12.581 1.00 0.00 H new ATOM 0 HB3 ALA A 61 28.821 -11.214 -14.117 1.00 0.00 H new ATOM 938 N VAL A 62 30.943 -11.821 -16.749 1.00 0.00 N ATOM 939 CA VAL A 62 30.842 -12.309 -18.118 1.00 0.00 C ATOM 940 C VAL A 62 31.942 -13.328 -18.396 1.00 0.00 C ATOM 941 O VAL A 62 31.679 -14.438 -18.855 1.00 0.00 O ATOM 942 CB VAL A 62 30.928 -11.156 -19.145 1.00 0.00 C ATOM 943 CG1 VAL A 62 30.859 -11.688 -20.569 1.00 0.00 C ATOM 944 CG2 VAL A 62 29.823 -10.136 -18.902 1.00 0.00 C ATOM 0 H VAL A 62 31.273 -10.859 -16.667 1.00 0.00 H new ATOM 0 HA VAL A 62 29.867 -12.784 -18.225 1.00 0.00 H new ATOM 0 HB VAL A 62 31.890 -10.661 -19.014 1.00 0.00 H new ATOM 0 HG11 VAL A 62 30.922 -10.857 -21.271 1.00 0.00 H new ATOM 0 HG12 VAL A 62 31.689 -12.373 -20.742 1.00 0.00 H new ATOM 0 HG13 VAL A 62 29.917 -12.216 -20.715 1.00 0.00 H new ATOM 0 HG21 VAL A 62 29.901 -9.333 -19.635 1.00 0.00 H new ATOM 0 HG22 VAL A 62 28.852 -10.622 -18.998 1.00 0.00 H new ATOM 0 HG23 VAL A 62 29.924 -9.722 -17.899 1.00 0.00 H new ATOM 954 N SER A 63 33.170 -12.949 -18.093 1.00 0.00 N ATOM 955 CA SER A 63 34.307 -13.840 -18.266 1.00 0.00 C ATOM 956 C SER A 63 34.353 -14.869 -17.143 1.00 0.00 C ATOM 957 O SER A 63 34.789 -16.000 -17.341 1.00 0.00 O ATOM 958 CB SER A 63 35.606 -13.039 -18.306 1.00 0.00 C ATOM 959 OG SER A 63 35.567 -12.080 -19.349 1.00 0.00 O ATOM 0 H SER A 63 33.408 -12.028 -17.725 1.00 0.00 H new ATOM 0 HA SER A 63 34.193 -14.367 -19.213 1.00 0.00 H new ATOM 0 HB2 SER A 63 35.761 -12.539 -17.350 1.00 0.00 H new ATOM 0 HB3 SER A 63 36.451 -13.712 -18.454 1.00 0.00 H new ATOM 0 HG SER A 63 36.406 -11.574 -19.360 1.00 0.00 H new ATOM 965 N GLU A 64 33.882 -14.468 -15.968 1.00 0.00 N ATOM 966 CA GLU A 64 33.853 -15.354 -14.814 1.00 0.00 C ATOM 967 C GLU A 64 32.838 -16.476 -15.020 1.00 0.00 C ATOM 968 O GLU A 64 32.975 -17.562 -14.461 1.00 0.00 O ATOM 969 CB GLU A 64 33.515 -14.563 -13.547 1.00 0.00 C ATOM 970 CG GLU A 64 33.881 -15.283 -12.260 1.00 0.00 C ATOM 971 CD GLU A 64 35.378 -15.370 -12.045 1.00 0.00 C ATOM 972 OE1 GLU A 64 36.020 -16.283 -12.607 1.00 0.00 O ATOM 973 OE2 GLU A 64 35.925 -14.525 -11.307 1.00 0.00 O ATOM 0 H GLU A 64 33.515 -13.533 -15.791 1.00 0.00 H new ATOM 0 HA GLU A 64 34.841 -15.800 -14.699 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.035 -13.606 -13.578 1.00 0.00 H new ATOM 0 HB3 GLU A 64 32.447 -14.345 -13.540 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.426 -14.764 -11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.462 -16.289 -12.279 1.00 0.00 H new ATOM 980 N ALA A 65 31.838 -16.208 -15.853 1.00 0.00 N ATOM 981 CA ALA A 65 30.780 -17.179 -16.142 1.00 0.00 C ATOM 982 C ALA A 65 31.346 -18.461 -16.743 1.00 0.00 C ATOM 983 O ALA A 65 30.741 -19.528 -16.638 1.00 0.00 O ATOM 984 CB ALA A 65 29.748 -16.573 -17.079 1.00 0.00 C ATOM 0 H ALA A 65 31.735 -15.320 -16.345 1.00 0.00 H new ATOM 0 HA ALA A 65 30.299 -17.435 -15.198 1.00 0.00 H new ATOM 0 HB1 ALA A 65 28.968 -17.306 -17.285 1.00 0.00 H new ATOM 0 HB2 ALA A 65 29.305 -15.693 -16.612 1.00 0.00 H new ATOM 0 HB3 ALA A 65 30.230 -16.284 -18.013 1.00 0.00 H new ATOM 990 N GLU A 66 32.505 -18.345 -17.380 1.00 0.00 N ATOM 991 CA GLU A 66 33.220 -19.483 -17.908 1.00 0.00 C ATOM 992 C GLU A 66 33.547 -20.460 -16.789 1.00 0.00 C ATOM 993 O GLU A 66 33.211 -21.646 -16.833 1.00 0.00 O ATOM 994 CB GLU A 66 34.516 -18.975 -18.525 1.00 0.00 C ATOM 995 CG GLU A 66 34.438 -18.712 -20.018 1.00 0.00 C ATOM 996 CD GLU A 66 34.008 -19.929 -20.807 1.00 0.00 C ATOM 997 OE1 GLU A 66 34.852 -20.812 -21.055 1.00 0.00 O ATOM 998 OE2 GLU A 66 32.830 -19.999 -21.210 1.00 0.00 O ATOM 0 H GLU A 66 32.971 -17.452 -17.542 1.00 0.00 H new ATOM 0 HA GLU A 66 32.610 -19.995 -18.652 1.00 0.00 H new ATOM 0 HB2 GLU A 66 34.808 -18.054 -18.021 1.00 0.00 H new ATOM 0 HB3 GLU A 66 35.304 -19.704 -18.337 1.00 0.00 H new ATOM 0 HG2 GLU A 66 33.736 -17.899 -20.203 1.00 0.00 H new ATOM 0 HG3 GLU A 66 35.413 -18.379 -20.375 1.00 0.00 H new ATOM 1005 N GLN A 67 34.179 -19.910 -15.777 1.00 0.00 N ATOM 1006 CA GLN A 67 34.703 -20.667 -14.662 1.00 0.00 C ATOM 1007 C GLN A 67 33.603 -21.007 -13.667 1.00 0.00 C ATOM 1008 O GLN A 67 33.647 -22.047 -13.009 1.00 0.00 O ATOM 1009 CB GLN A 67 35.794 -19.822 -14.034 1.00 0.00 C ATOM 1010 CG GLN A 67 36.607 -20.498 -12.961 1.00 0.00 C ATOM 1011 CD GLN A 67 37.907 -19.760 -12.782 1.00 0.00 C ATOM 1012 OE1 GLN A 67 38.939 -20.144 -13.330 1.00 0.00 O ATOM 1013 NE2 GLN A 67 37.846 -18.639 -12.096 1.00 0.00 N ATOM 0 H GLN A 67 34.346 -18.906 -15.704 1.00 0.00 H new ATOM 0 HA GLN A 67 35.110 -21.622 -14.993 1.00 0.00 H new ATOM 0 HB2 GLN A 67 36.470 -19.490 -14.822 1.00 0.00 H new ATOM 0 HB3 GLN A 67 35.337 -18.928 -13.609 1.00 0.00 H new ATOM 0 HG2 GLN A 67 36.052 -20.513 -12.023 1.00 0.00 H new ATOM 0 HG3 GLN A 67 36.799 -21.536 -13.234 1.00 0.00 H new ATOM 0 HE21 GLN A 67 36.970 -18.357 -11.657 1.00 0.00 H new ATOM 0 HE22 GLN A 67 38.675 -18.052 -12.003 1.00 0.00 H new ATOM 1022 N ILE A 68 32.613 -20.132 -13.563 1.00 0.00 N ATOM 1023 CA ILE A 68 31.447 -20.406 -12.736 1.00 0.00 C ATOM 1024 C ILE A 68 30.690 -21.610 -13.288 1.00 0.00 C ATOM 1025 O ILE A 68 30.230 -22.466 -12.530 1.00 0.00 O ATOM 1026 CB ILE A 68 30.499 -19.179 -12.655 1.00 0.00 C ATOM 1027 CG1 ILE A 68 31.196 -18.013 -11.943 1.00 0.00 C ATOM 1028 CG2 ILE A 68 29.199 -19.535 -11.944 1.00 0.00 C ATOM 1029 CD1 ILE A 68 30.364 -16.747 -11.868 1.00 0.00 C ATOM 0 H ILE A 68 32.594 -19.230 -14.039 1.00 0.00 H new ATOM 0 HA ILE A 68 31.798 -20.623 -11.727 1.00 0.00 H new ATOM 0 HB ILE A 68 30.254 -18.874 -13.672 1.00 0.00 H new ATOM 0 HG12 ILE A 68 31.458 -18.323 -10.931 1.00 0.00 H new ATOM 0 HG13 ILE A 68 32.130 -17.791 -12.460 1.00 0.00 H new ATOM 0 HG21 ILE A 68 28.555 -18.657 -11.902 1.00 0.00 H new ATOM 0 HG22 ILE A 68 28.692 -20.331 -12.489 1.00 0.00 H new ATOM 0 HG23 ILE A 68 29.419 -19.872 -10.931 1.00 0.00 H new ATOM 0 HD11 ILE A 68 30.928 -15.971 -11.350 1.00 0.00 H new ATOM 0 HD12 ILE A 68 30.124 -16.409 -12.876 1.00 0.00 H new ATOM 0 HD13 ILE A 68 29.442 -16.950 -11.324 1.00 0.00 H new ATOM 1041 N ARG A 69 30.581 -21.677 -14.613 1.00 0.00 N ATOM 1042 CA ARG A 69 29.956 -22.817 -15.270 1.00 0.00 C ATOM 1043 C ARG A 69 30.701 -24.098 -14.918 1.00 0.00 C ATOM 1044 O ARG A 69 30.087 -25.110 -14.603 1.00 0.00 O ATOM 1045 CB ARG A 69 29.955 -22.631 -16.785 1.00 0.00 C ATOM 1046 CG ARG A 69 29.203 -23.724 -17.527 1.00 0.00 C ATOM 1047 CD ARG A 69 29.485 -23.685 -19.020 1.00 0.00 C ATOM 1048 NE ARG A 69 30.837 -24.154 -19.340 1.00 0.00 N ATOM 1049 CZ ARG A 69 31.754 -23.419 -19.972 1.00 0.00 C ATOM 1050 NH1 ARG A 69 31.492 -22.157 -20.291 1.00 0.00 N ATOM 1051 NH2 ARG A 69 32.935 -23.949 -20.273 1.00 0.00 N ATOM 0 H ARG A 69 30.918 -20.955 -15.250 1.00 0.00 H new ATOM 0 HA ARG A 69 28.926 -22.888 -14.921 1.00 0.00 H new ATOM 0 HB2 ARG A 69 29.509 -21.666 -17.025 1.00 0.00 H new ATOM 0 HB3 ARG A 69 30.985 -22.603 -17.141 1.00 0.00 H new ATOM 0 HG2 ARG A 69 29.488 -24.697 -17.128 1.00 0.00 H new ATOM 0 HG3 ARG A 69 28.133 -23.610 -17.356 1.00 0.00 H new ATOM 0 HD2 ARG A 69 28.755 -24.303 -19.542 1.00 0.00 H new ATOM 0 HD3 ARG A 69 29.360 -22.666 -19.385 1.00 0.00 H new ATOM 0 HE ARG A 69 31.093 -25.102 -19.062 1.00 0.00 H new ATOM 0 HH11 ARG A 69 30.589 -21.748 -20.053 1.00 0.00 H new ATOM 0 HH12 ARG A 69 32.194 -21.597 -20.774 1.00 0.00 H new ATOM 0 HH21 ARG A 69 33.139 -24.916 -20.021 1.00 0.00 H new ATOM 0 HH22 ARG A 69 33.637 -23.389 -20.756 1.00 0.00 H new ATOM 1065 N GLN A 70 32.029 -24.017 -14.958 1.00 0.00 N ATOM 1066 CA GLN A 70 32.903 -25.148 -14.667 1.00 0.00 C ATOM 1067 C GLN A 70 32.636 -25.680 -13.267 1.00 0.00 C ATOM 1068 O GLN A 70 32.466 -26.883 -13.065 1.00 0.00 O ATOM 1069 CB GLN A 70 34.356 -24.684 -14.792 1.00 0.00 C ATOM 1070 CG GLN A 70 35.382 -25.804 -14.860 1.00 0.00 C ATOM 1071 CD GLN A 70 35.933 -26.204 -13.499 1.00 0.00 C ATOM 1072 OE1 GLN A 70 35.400 -27.087 -12.830 1.00 0.00 O ATOM 1073 NE2 GLN A 70 37.004 -25.555 -13.076 1.00 0.00 N ATOM 0 H GLN A 70 32.530 -23.161 -15.194 1.00 0.00 H new ATOM 0 HA GLN A 70 32.710 -25.955 -15.374 1.00 0.00 H new ATOM 0 HB2 GLN A 70 34.450 -24.070 -15.688 1.00 0.00 H new ATOM 0 HB3 GLN A 70 34.593 -24.045 -13.941 1.00 0.00 H new ATOM 0 HG2 GLN A 70 34.926 -26.676 -15.329 1.00 0.00 H new ATOM 0 HG3 GLN A 70 36.207 -25.492 -15.500 1.00 0.00 H new ATOM 0 HE21 GLN A 70 37.422 -24.827 -13.656 1.00 0.00 H new ATOM 0 HE22 GLN A 70 37.413 -25.782 -12.169 1.00 0.00 H new ATOM 1082 N LEU A 71 32.601 -24.766 -12.309 1.00 0.00 N ATOM 1083 CA LEU A 71 32.347 -25.115 -10.916 1.00 0.00 C ATOM 1084 C LEU A 71 30.931 -25.664 -10.737 1.00 0.00 C ATOM 1085 O LEU A 71 30.712 -26.606 -9.972 1.00 0.00 O ATOM 1086 CB LEU A 71 32.551 -23.887 -10.024 1.00 0.00 C ATOM 1087 CG LEU A 71 32.342 -24.126 -8.527 1.00 0.00 C ATOM 1088 CD1 LEU A 71 33.372 -25.109 -7.986 1.00 0.00 C ATOM 1089 CD2 LEU A 71 32.401 -22.813 -7.761 1.00 0.00 C ATOM 0 H LEU A 71 32.746 -23.769 -12.471 1.00 0.00 H new ATOM 0 HA LEU A 71 33.053 -25.893 -10.624 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.562 -23.510 -10.178 1.00 0.00 H new ATOM 0 HB3 LEU A 71 31.866 -23.104 -10.349 1.00 0.00 H new ATOM 0 HG LEU A 71 31.352 -24.561 -8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 71 33.203 -25.263 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.277 -26.060 -8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.374 -24.708 -8.141 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.250 -23.004 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 71 33.375 -22.348 -7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 71 31.620 -22.145 -8.124 1.00 0.00 H new ATOM 1101 N LYS A 72 29.975 -25.071 -11.443 1.00 0.00 N ATOM 1102 CA LYS A 72 28.583 -25.483 -11.333 1.00 0.00 C ATOM 1103 C LYS A 72 28.358 -26.847 -11.979 1.00 0.00 C ATOM 1104 O LYS A 72 27.896 -27.786 -11.327 1.00 0.00 O ATOM 1105 CB LYS A 72 27.666 -24.436 -11.969 1.00 0.00 C ATOM 1106 CG LYS A 72 26.188 -24.720 -11.761 1.00 0.00 C ATOM 1107 CD LYS A 72 25.318 -23.620 -12.342 1.00 0.00 C ATOM 1108 CE LYS A 72 23.851 -23.829 -11.996 1.00 0.00 C ATOM 1109 NZ LYS A 72 22.996 -22.717 -12.493 1.00 0.00 N ATOM 0 H LYS A 72 30.139 -24.305 -12.096 1.00 0.00 H new ATOM 0 HA LYS A 72 28.340 -25.568 -10.274 1.00 0.00 H new ATOM 0 HB2 LYS A 72 27.902 -23.457 -11.553 1.00 0.00 H new ATOM 0 HB3 LYS A 72 27.871 -24.386 -13.038 1.00 0.00 H new ATOM 0 HG2 LYS A 72 25.931 -25.671 -12.227 1.00 0.00 H new ATOM 0 HG3 LYS A 72 25.983 -24.821 -10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 72 25.649 -22.654 -11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 72 25.437 -23.594 -13.425 1.00 0.00 H new ATOM 0 HE2 LYS A 72 23.508 -24.770 -12.426 1.00 0.00 H new ATOM 0 HE3 LYS A 72 23.742 -23.914 -10.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 22.005 -22.899 -12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 23.306 -21.822 -12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 23.079 -22.651 -13.528 1.00 0.00 H new