USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=9 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 11 LYS NZ :NH3+ -150:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 7 SER OG : rot 24:sc= 0.0955 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.443 X(o=0.44,f=0) USER MOD Single : A 21 SER OG : rot -91:sc= 1.27 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.775 K(o=0.78,f=-0.024) USER MOD Single : A 28 GLN : amide:sc= 0.508 K(o=0.51,f=-0.059) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 36 ASN : amide:sc= 0.874 K(o=0.87,f=-6.4!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.542 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= -0.0598 (180deg=-0.438) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 70 GLN : amide:sc= -0.322 K(o=-0.32,f=-1.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 4.735 4.759 0.652 1.00 0.00 N ATOM 106 CA SER A 7 5.708 4.425 1.679 1.00 0.00 C ATOM 107 C SER A 7 6.325 3.055 1.395 1.00 0.00 C ATOM 108 O SER A 7 5.746 2.243 0.668 1.00 0.00 O ATOM 109 CB SER A 7 5.040 4.448 3.054 1.00 0.00 C ATOM 110 OG SER A 7 4.432 5.707 3.298 1.00 0.00 O ATOM 0 HA SER A 7 6.508 5.166 1.671 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.290 3.659 3.112 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.781 4.241 3.827 1.00 0.00 H new ATOM 0 HG SER A 7 4.235 6.146 2.444 1.00 0.00 H new ATOM 116 N GLU A 8 7.499 2.799 1.967 1.00 0.00 N ATOM 117 CA GLU A 8 8.222 1.561 1.690 1.00 0.00 C ATOM 118 C GLU A 8 7.499 0.346 2.270 1.00 0.00 C ATOM 119 O GLU A 8 7.630 -0.763 1.746 1.00 0.00 O ATOM 120 CB GLU A 8 9.680 1.643 2.183 1.00 0.00 C ATOM 121 CG GLU A 8 9.859 2.163 3.604 1.00 0.00 C ATOM 122 CD GLU A 8 9.616 1.114 4.670 1.00 0.00 C ATOM 123 OE1 GLU A 8 10.339 0.094 4.687 1.00 0.00 O ATOM 124 OE2 GLU A 8 8.721 1.321 5.519 1.00 0.00 O ATOM 0 H GLU A 8 7.967 3.427 2.620 1.00 0.00 H new ATOM 0 HA GLU A 8 8.249 1.432 0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.124 0.650 2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.240 2.287 1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.871 2.553 3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.176 2.997 3.765 1.00 0.00 H new ATOM 131 N GLU A 9 6.723 0.565 3.331 1.00 0.00 N ATOM 132 CA GLU A 9 5.918 -0.494 3.936 1.00 0.00 C ATOM 133 C GLU A 9 4.969 -1.093 2.908 1.00 0.00 C ATOM 134 O GLU A 9 4.768 -2.302 2.864 1.00 0.00 O ATOM 135 CB GLU A 9 5.118 0.061 5.116 1.00 0.00 C ATOM 136 CG GLU A 9 4.233 -0.968 5.805 1.00 0.00 C ATOM 137 CD GLU A 9 3.579 -0.422 7.056 1.00 0.00 C ATOM 138 OE1 GLU A 9 2.585 0.325 6.948 1.00 0.00 O ATOM 139 OE2 GLU A 9 4.074 -0.720 8.163 1.00 0.00 O ATOM 0 H GLU A 9 6.635 1.471 3.791 1.00 0.00 H new ATOM 0 HA GLU A 9 6.589 -1.275 4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.811 0.477 5.848 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.495 0.883 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.461 -1.302 5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.830 -1.843 6.063 1.00 0.00 H new ATOM 146 N PHE A 10 4.413 -0.230 2.069 1.00 0.00 N ATOM 147 CA PHE A 10 3.469 -0.642 1.034 1.00 0.00 C ATOM 148 C PHE A 10 4.098 -1.683 0.104 1.00 0.00 C ATOM 149 O PHE A 10 3.517 -2.738 -0.147 1.00 0.00 O ATOM 150 CB PHE A 10 3.021 0.588 0.242 1.00 0.00 C ATOM 151 CG PHE A 10 1.849 0.349 -0.663 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.567 0.264 -0.143 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.023 0.222 -2.031 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.516 0.050 -0.970 1.00 0.00 C ATOM 155 CE2 PHE A 10 0.941 0.013 -2.862 1.00 0.00 C ATOM 156 CZ PHE A 10 -0.329 -0.075 -2.330 1.00 0.00 C ATOM 0 H PHE A 10 4.601 0.772 2.085 1.00 0.00 H new ATOM 0 HA PHE A 10 2.601 -1.103 1.506 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.767 1.384 0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.859 0.945 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.414 0.366 0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.015 0.287 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.510 -0.020 -0.552 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.088 -0.082 -3.928 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.176 -0.242 -2.979 1.00 0.00 H new ATOM 166 N LYS A 11 5.298 -1.379 -0.380 1.00 0.00 N ATOM 167 CA LYS A 11 6.034 -2.283 -1.264 1.00 0.00 C ATOM 168 C LYS A 11 6.483 -3.522 -0.497 1.00 0.00 C ATOM 169 O LYS A 11 6.369 -4.647 -0.979 1.00 0.00 O ATOM 170 CB LYS A 11 7.267 -1.573 -1.823 1.00 0.00 C ATOM 171 CG LYS A 11 6.999 -0.158 -2.299 1.00 0.00 C ATOM 172 CD LYS A 11 8.297 0.610 -2.512 1.00 0.00 C ATOM 173 CE LYS A 11 9.035 0.160 -3.759 1.00 0.00 C ATOM 174 NZ LYS A 11 10.335 0.866 -3.909 1.00 0.00 N ATOM 0 H LYS A 11 5.786 -0.507 -0.174 1.00 0.00 H new ATOM 0 HA LYS A 11 5.376 -2.580 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.039 -1.547 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.664 -2.156 -2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.434 -0.186 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.382 0.363 -1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.078 1.675 -2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.942 0.477 -1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.207 -0.915 -3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.416 0.346 -4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.568 0.954 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.266 1.814 -3.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.081 0.325 -3.427 1.00 0.00 H new ATOM 188 N ARG A 12 6.984 -3.284 0.709 1.00 0.00 N ATOM 189 CA ARG A 12 7.536 -4.333 1.558 1.00 0.00 C ATOM 190 C ARG A 12 6.466 -5.362 1.915 1.00 0.00 C ATOM 191 O ARG A 12 6.727 -6.565 1.951 1.00 0.00 O ATOM 192 CB ARG A 12 8.113 -3.688 2.821 1.00 0.00 C ATOM 193 CG ARG A 12 9.162 -4.520 3.528 1.00 0.00 C ATOM 194 CD ARG A 12 9.834 -3.711 4.627 1.00 0.00 C ATOM 195 NE ARG A 12 10.996 -4.395 5.188 1.00 0.00 N ATOM 196 CZ ARG A 12 12.094 -3.768 5.613 1.00 0.00 C ATOM 197 NH1 ARG A 12 12.184 -2.443 5.533 1.00 0.00 N ATOM 198 NH2 ARG A 12 13.106 -4.465 6.112 1.00 0.00 N ATOM 0 H ARG A 12 7.019 -2.354 1.127 1.00 0.00 H new ATOM 0 HA ARG A 12 8.326 -4.858 1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.550 -2.725 2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.298 -3.487 3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.701 -5.411 3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.909 -4.860 2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.142 -2.745 4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.114 -3.512 5.421 1.00 0.00 H new ATOM 0 HE ARG A 12 10.966 -5.412 5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.411 -1.902 5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.026 -1.968 5.859 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.045 -5.481 6.171 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.945 -3.985 6.437 1.00 0.00 H new ATOM 212 N ASP A 13 5.261 -4.876 2.165 1.00 0.00 N ATOM 213 CA ASP A 13 4.129 -5.733 2.484 1.00 0.00 C ATOM 214 C ASP A 13 3.639 -6.470 1.245 1.00 0.00 C ATOM 215 O ASP A 13 3.256 -7.634 1.316 1.00 0.00 O ATOM 216 CB ASP A 13 2.996 -4.897 3.079 1.00 0.00 C ATOM 217 CG ASP A 13 1.755 -5.716 3.368 1.00 0.00 C ATOM 218 OD1 ASP A 13 1.789 -6.548 4.300 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.732 -5.507 2.683 1.00 0.00 O ATOM 0 H ASP A 13 5.040 -3.880 2.153 1.00 0.00 H new ATOM 0 HA ASP A 13 4.453 -6.474 3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.341 -4.429 4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.743 -4.092 2.389 1.00 0.00 H new ATOM 224 N ALA A 14 3.677 -5.790 0.105 1.00 0.00 N ATOM 225 CA ALA A 14 3.239 -6.377 -1.154 1.00 0.00 C ATOM 226 C ALA A 14 4.071 -7.607 -1.509 1.00 0.00 C ATOM 227 O ALA A 14 3.552 -8.579 -2.063 1.00 0.00 O ATOM 228 CB ALA A 14 3.302 -5.346 -2.268 1.00 0.00 C ATOM 0 H ALA A 14 4.008 -4.828 0.028 1.00 0.00 H new ATOM 0 HA ALA A 14 2.204 -6.699 -1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.972 -5.799 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.653 -4.506 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.327 -4.992 -2.379 1.00 0.00 H new ATOM 234 N VAL A 15 5.361 -7.567 -1.176 1.00 0.00 N ATOM 235 CA VAL A 15 6.236 -8.714 -1.396 1.00 0.00 C ATOM 236 C VAL A 15 5.790 -9.891 -0.536 1.00 0.00 C ATOM 237 O VAL A 15 5.734 -11.032 -1.000 1.00 0.00 O ATOM 238 CB VAL A 15 7.714 -8.382 -1.081 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.616 -9.569 -1.375 1.00 0.00 C ATOM 240 CG2 VAL A 15 8.172 -7.165 -1.866 1.00 0.00 C ATOM 0 H VAL A 15 5.819 -6.758 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 15 6.164 -8.977 -2.451 1.00 0.00 H new ATOM 0 HB VAL A 15 7.784 -8.156 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.649 -9.307 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.312 -10.418 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.536 -9.835 -2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.214 -6.950 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.076 -7.363 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.555 -6.307 -1.600 1.00 0.00 H new ATOM 250 N ALA A 16 5.448 -9.603 0.716 1.00 0.00 N ATOM 251 CA ALA A 16 4.994 -10.633 1.643 1.00 0.00 C ATOM 252 C ALA A 16 3.630 -11.171 1.220 1.00 0.00 C ATOM 253 O ALA A 16 3.339 -12.361 1.364 1.00 0.00 O ATOM 254 CB ALA A 16 4.933 -10.084 3.061 1.00 0.00 C ATOM 0 H ALA A 16 5.477 -8.663 1.112 1.00 0.00 H new ATOM 0 HA ALA A 16 5.710 -11.455 1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.592 -10.866 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.925 -9.747 3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.238 -9.245 3.097 1.00 0.00 H new ATOM 260 N LEU A 17 2.799 -10.283 0.693 1.00 0.00 N ATOM 261 CA LEU A 17 1.484 -10.657 0.186 1.00 0.00 C ATOM 262 C LEU A 17 1.626 -11.636 -0.981 1.00 0.00 C ATOM 263 O LEU A 17 0.822 -12.553 -1.140 1.00 0.00 O ATOM 264 CB LEU A 17 0.728 -9.402 -0.258 1.00 0.00 C ATOM 265 CG LEU A 17 -0.753 -9.600 -0.593 1.00 0.00 C ATOM 266 CD1 LEU A 17 -1.506 -10.161 0.603 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.373 -8.284 -1.035 1.00 0.00 C ATOM 0 H LEU A 17 3.014 -9.290 0.605 1.00 0.00 H new ATOM 0 HA LEU A 17 0.920 -11.148 0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.806 -8.655 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.228 -8.991 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.826 -10.317 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.556 -10.294 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.078 -11.123 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.425 -9.469 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.426 -8.439 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.284 -7.552 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.854 -7.916 -1.920 1.00 0.00 H new ATOM 279 N TYR A 18 2.676 -11.446 -1.771 1.00 0.00 N ATOM 280 CA TYR A 18 2.950 -12.311 -2.916 1.00 0.00 C ATOM 281 C TYR A 18 3.318 -13.725 -2.465 1.00 0.00 C ATOM 282 O TYR A 18 3.086 -14.695 -3.185 1.00 0.00 O ATOM 283 CB TYR A 18 4.073 -11.722 -3.769 1.00 0.00 C ATOM 284 CG TYR A 18 4.304 -12.454 -5.072 1.00 0.00 C ATOM 285 CD1 TYR A 18 3.327 -12.478 -6.058 1.00 0.00 C ATOM 286 CD2 TYR A 18 5.505 -13.109 -5.323 1.00 0.00 C ATOM 287 CE1 TYR A 18 3.537 -13.131 -7.256 1.00 0.00 C ATOM 288 CE2 TYR A 18 5.722 -13.768 -6.520 1.00 0.00 C ATOM 289 CZ TYR A 18 4.734 -13.776 -7.482 1.00 0.00 C ATOM 290 OH TYR A 18 4.946 -14.418 -8.682 1.00 0.00 O ATOM 0 H TYR A 18 3.356 -10.697 -1.640 1.00 0.00 H new ATOM 0 HA TYR A 18 2.042 -12.372 -3.516 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.842 -10.679 -3.986 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.997 -11.730 -3.191 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.386 -11.977 -5.885 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.281 -13.103 -4.571 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.767 -13.136 -8.013 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.660 -14.273 -6.700 1.00 0.00 H new ATOM 0 HH TYR A 18 5.839 -14.822 -8.684 1.00 0.00 H new ATOM 300 N GLU A 19 3.880 -13.844 -1.268 1.00 0.00 N ATOM 301 CA GLU A 19 4.183 -15.156 -0.696 1.00 0.00 C ATOM 302 C GLU A 19 2.892 -15.888 -0.339 1.00 0.00 C ATOM 303 O GLU A 19 2.881 -17.103 -0.143 1.00 0.00 O ATOM 304 CB GLU A 19 5.067 -15.016 0.542 1.00 0.00 C ATOM 305 CG GLU A 19 6.486 -14.567 0.233 1.00 0.00 C ATOM 306 CD GLU A 19 7.277 -15.605 -0.541 1.00 0.00 C ATOM 307 OE1 GLU A 19 7.818 -16.542 0.089 1.00 0.00 O ATOM 308 OE2 GLU A 19 7.368 -15.493 -1.782 1.00 0.00 O ATOM 0 H GLU A 19 4.135 -13.054 -0.675 1.00 0.00 H new ATOM 0 HA GLU A 19 4.725 -15.737 -1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.610 -14.300 1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.104 -15.974 1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.452 -13.641 -0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.003 -14.345 1.166 1.00 0.00 H new ATOM 315 N ASN A 20 1.806 -15.130 -0.249 1.00 0.00 N ATOM 316 CA ASN A 20 0.491 -15.674 0.064 1.00 0.00 C ATOM 317 C ASN A 20 -0.345 -15.811 -1.206 1.00 0.00 C ATOM 318 O ASN A 20 -1.576 -15.846 -1.158 1.00 0.00 O ATOM 319 CB ASN A 20 -0.223 -14.770 1.074 1.00 0.00 C ATOM 320 CG ASN A 20 0.377 -14.864 2.466 1.00 0.00 C ATOM 321 OD1 ASN A 20 -0.061 -15.668 3.287 1.00 0.00 O ATOM 322 ND2 ASN A 20 1.382 -14.046 2.741 1.00 0.00 N ATOM 0 H ASN A 20 1.813 -14.120 -0.391 1.00 0.00 H new ATOM 0 HA ASN A 20 0.617 -16.664 0.503 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.174 -13.737 0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.278 -15.042 1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.821 -14.069 3.661 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.717 -13.393 2.032 1.00 0.00 H new ATOM 329 N SER A 21 0.341 -15.923 -2.339 1.00 0.00 N ATOM 330 CA SER A 21 -0.310 -16.022 -3.643 1.00 0.00 C ATOM 331 C SER A 21 -1.059 -17.341 -3.808 1.00 0.00 C ATOM 332 O SER A 21 -1.875 -17.496 -4.715 1.00 0.00 O ATOM 333 CB SER A 21 0.725 -15.870 -4.752 1.00 0.00 C ATOM 334 OG SER A 21 1.870 -16.671 -4.501 1.00 0.00 O ATOM 0 H SER A 21 1.360 -15.948 -2.381 1.00 0.00 H new ATOM 0 HA SER A 21 -1.042 -15.217 -3.709 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.282 -16.153 -5.707 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.021 -14.824 -4.836 1.00 0.00 H new ATOM 0 HG SER A 21 2.528 -16.151 -3.994 1.00 0.00 H new ATOM 340 N ASP A 22 -0.774 -18.284 -2.921 1.00 0.00 N ATOM 341 CA ASP A 22 -1.446 -19.586 -2.924 1.00 0.00 C ATOM 342 C ASP A 22 -2.954 -19.431 -2.713 1.00 0.00 C ATOM 343 O ASP A 22 -3.723 -20.371 -2.914 1.00 0.00 O ATOM 344 CB ASP A 22 -0.864 -20.499 -1.838 1.00 0.00 C ATOM 345 CG ASP A 22 0.614 -20.786 -2.036 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.948 -21.762 -2.745 1.00 0.00 O ATOM 347 OD2 ASP A 22 1.454 -20.044 -1.475 1.00 0.00 O ATOM 0 H ASP A 22 -0.078 -18.175 -2.183 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.277 -20.040 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.011 -20.035 -0.863 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.414 -21.440 -1.829 1.00 0.00 H new ATOM 352 N GLY A 23 -3.372 -18.240 -2.291 1.00 0.00 N ATOM 353 CA GLY A 23 -4.785 -17.953 -2.140 1.00 0.00 C ATOM 354 C GLY A 23 -5.169 -16.641 -2.796 1.00 0.00 C ATOM 355 O GLY A 23 -6.210 -16.058 -2.484 1.00 0.00 O ATOM 0 H GLY A 23 -2.752 -17.466 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.369 -18.762 -2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.037 -17.916 -1.080 1.00 0.00 H new ATOM 359 N ALA A 24 -4.326 -16.178 -3.714 1.00 0.00 N ATOM 360 CA ALA A 24 -4.547 -14.910 -4.398 1.00 0.00 C ATOM 361 C ALA A 24 -3.666 -14.806 -5.637 1.00 0.00 C ATOM 362 O ALA A 24 -2.441 -14.851 -5.541 1.00 0.00 O ATOM 363 CB ALA A 24 -4.277 -13.744 -3.458 1.00 0.00 C ATOM 0 H ALA A 24 -3.478 -16.667 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.590 -14.869 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.447 -12.805 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.947 -13.805 -2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.243 -13.785 -3.114 1.00 0.00 H new ATOM 369 N SER A 25 -4.295 -14.669 -6.795 1.00 0.00 N ATOM 370 CA SER A 25 -3.571 -14.569 -8.053 1.00 0.00 C ATOM 371 C SER A 25 -2.739 -13.285 -8.108 1.00 0.00 C ATOM 372 O SER A 25 -3.067 -12.291 -7.454 1.00 0.00 O ATOM 373 CB SER A 25 -4.560 -14.618 -9.217 1.00 0.00 C ATOM 374 OG SER A 25 -5.336 -15.805 -9.163 1.00 0.00 O ATOM 0 H SER A 25 -5.310 -14.624 -6.889 1.00 0.00 H new ATOM 0 HA SER A 25 -2.884 -15.412 -8.130 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.215 -13.747 -9.182 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.020 -14.573 -10.163 1.00 0.00 H new ATOM 0 HG SER A 25 -5.965 -15.819 -9.914 1.00 0.00 H new ATOM 380 N LEU A 26 -1.663 -13.320 -8.895 1.00 0.00 N ATOM 381 CA LEU A 26 -0.752 -12.184 -9.035 1.00 0.00 C ATOM 382 C LEU A 26 -1.523 -10.934 -9.451 1.00 0.00 C ATOM 383 O LEU A 26 -1.338 -9.859 -8.870 1.00 0.00 O ATOM 384 CB LEU A 26 0.339 -12.522 -10.069 1.00 0.00 C ATOM 385 CG LEU A 26 1.621 -11.674 -10.013 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.719 -12.337 -10.825 1.00 0.00 C ATOM 387 CD2 LEU A 26 1.381 -10.265 -10.537 1.00 0.00 C ATOM 0 H LEU A 26 -1.399 -14.133 -9.451 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.277 -11.984 -8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.616 -13.569 -9.943 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.092 -12.424 -11.065 1.00 0.00 H new ATOM 0 HG LEU A 26 1.926 -11.603 -8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.623 -11.729 -10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.926 -13.326 -10.417 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.398 -12.432 -11.862 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.308 -9.694 -10.483 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.045 -10.314 -11.573 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.618 -9.777 -9.931 1.00 0.00 H new ATOM 399 N GLN A 27 -2.397 -11.077 -10.444 1.00 0.00 N ATOM 400 CA GLN A 27 -3.213 -9.963 -10.905 1.00 0.00 C ATOM 401 C GLN A 27 -4.070 -9.418 -9.772 1.00 0.00 C ATOM 402 O GLN A 27 -4.175 -8.209 -9.603 1.00 0.00 O ATOM 403 CB GLN A 27 -4.112 -10.373 -12.078 1.00 0.00 C ATOM 404 CG GLN A 27 -5.026 -9.251 -12.561 1.00 0.00 C ATOM 405 CD GLN A 27 -4.259 -8.044 -13.070 1.00 0.00 C ATOM 406 OE1 GLN A 27 -3.914 -7.960 -14.246 1.00 0.00 O ATOM 407 NE2 GLN A 27 -3.985 -7.101 -12.184 1.00 0.00 N ATOM 0 H GLN A 27 -2.556 -11.953 -10.942 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.532 -9.184 -11.248 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.487 -10.705 -12.907 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.722 -11.225 -11.778 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.668 -9.629 -13.356 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.678 -8.943 -11.744 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.289 -7.207 -11.216 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.470 -6.268 -12.469 1.00 0.00 H new ATOM 416 N GLN A 28 -4.657 -10.317 -8.988 1.00 0.00 N ATOM 417 CA GLN A 28 -5.534 -9.924 -7.888 1.00 0.00 C ATOM 418 C GLN A 28 -4.793 -9.027 -6.897 1.00 0.00 C ATOM 419 O GLN A 28 -5.357 -8.060 -6.380 1.00 0.00 O ATOM 420 CB GLN A 28 -6.081 -11.165 -7.173 1.00 0.00 C ATOM 421 CG GLN A 28 -7.024 -10.850 -6.020 1.00 0.00 C ATOM 422 CD GLN A 28 -8.253 -10.076 -6.461 1.00 0.00 C ATOM 423 OE1 GLN A 28 -9.274 -10.659 -6.821 1.00 0.00 O ATOM 424 NE2 GLN A 28 -8.164 -8.756 -6.438 1.00 0.00 N ATOM 0 H GLN A 28 -4.541 -11.325 -9.094 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.370 -9.360 -8.303 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.605 -11.788 -7.898 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.244 -11.752 -6.795 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.337 -11.781 -5.547 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.488 -10.274 -5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.300 -8.308 -6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.960 -8.186 -6.725 1.00 0.00 H new ATOM 433 N ILE A 29 -3.528 -9.347 -6.651 1.00 0.00 N ATOM 434 CA ILE A 29 -2.703 -8.559 -5.743 1.00 0.00 C ATOM 435 C ILE A 29 -2.531 -7.140 -6.276 1.00 0.00 C ATOM 436 O ILE A 29 -2.885 -6.166 -5.609 1.00 0.00 O ATOM 437 CB ILE A 29 -1.309 -9.195 -5.532 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.441 -10.650 -5.063 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.498 -8.387 -4.528 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.219 -10.809 -3.774 1.00 0.00 C ATOM 0 H ILE A 29 -3.051 -10.147 -7.068 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.218 -8.534 -4.783 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.785 -9.188 -6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.930 -11.231 -5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.444 -11.070 -4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.479 -8.850 -4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.370 -7.370 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.023 -8.362 -3.573 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.269 -11.865 -3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.720 -10.257 -2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.228 -10.420 -3.908 1.00 0.00 H new ATOM 452 N ALA A 30 -2.016 -7.032 -7.494 1.00 0.00 N ATOM 453 CA ALA A 30 -1.782 -5.731 -8.118 1.00 0.00 C ATOM 454 C ALA A 30 -3.093 -4.994 -8.371 1.00 0.00 C ATOM 455 O ALA A 30 -3.139 -3.765 -8.368 1.00 0.00 O ATOM 456 CB ALA A 30 -1.013 -5.901 -9.419 1.00 0.00 C ATOM 0 H ALA A 30 -1.751 -7.829 -8.072 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.187 -5.131 -7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.846 -4.924 -9.873 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.053 -6.376 -9.215 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.588 -6.525 -10.103 1.00 0.00 H new ATOM 462 N ASN A 31 -4.155 -5.761 -8.578 1.00 0.00 N ATOM 463 CA ASN A 31 -5.484 -5.212 -8.830 1.00 0.00 C ATOM 464 C ASN A 31 -5.988 -4.449 -7.611 1.00 0.00 C ATOM 465 O ASN A 31 -6.564 -3.370 -7.737 1.00 0.00 O ATOM 466 CB ASN A 31 -6.451 -6.349 -9.170 1.00 0.00 C ATOM 467 CG ASN A 31 -7.798 -5.867 -9.666 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.701 -5.597 -8.878 1.00 0.00 O ATOM 469 ND2 ASN A 31 -7.951 -5.782 -10.981 1.00 0.00 N ATOM 0 H ASN A 31 -4.121 -6.780 -8.576 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.426 -4.520 -9.670 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.999 -6.985 -9.931 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.599 -6.967 -8.284 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.844 -5.483 -11.372 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.175 -6.015 -11.601 1.00 0.00 H new ATOM 476 N ASP A 32 -5.753 -5.015 -6.433 1.00 0.00 N ATOM 477 CA ASP A 32 -6.186 -4.396 -5.183 1.00 0.00 C ATOM 478 C ASP A 32 -5.409 -3.106 -4.936 1.00 0.00 C ATOM 479 O ASP A 32 -5.961 -2.110 -4.470 1.00 0.00 O ATOM 480 CB ASP A 32 -5.979 -5.361 -4.011 1.00 0.00 C ATOM 481 CG ASP A 32 -6.628 -4.874 -2.728 1.00 0.00 C ATOM 482 OD1 ASP A 32 -6.009 -4.071 -2.001 1.00 0.00 O ATOM 483 OD2 ASP A 32 -7.765 -5.302 -2.435 1.00 0.00 O ATOM 0 H ASP A 32 -5.264 -5.903 -6.316 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.247 -4.161 -5.263 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.389 -6.337 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.911 -5.498 -3.843 1.00 0.00 H new ATOM 488 N LEU A 33 -4.128 -3.138 -5.272 1.00 0.00 N ATOM 489 CA LEU A 33 -3.258 -1.983 -5.105 1.00 0.00 C ATOM 490 C LEU A 33 -3.543 -0.927 -6.171 1.00 0.00 C ATOM 491 O LEU A 33 -3.285 0.259 -5.972 1.00 0.00 O ATOM 492 CB LEU A 33 -1.787 -2.412 -5.172 1.00 0.00 C ATOM 493 CG LEU A 33 -1.188 -2.972 -3.870 1.00 0.00 C ATOM 494 CD1 LEU A 33 -1.970 -4.172 -3.357 1.00 0.00 C ATOM 495 CD2 LEU A 33 0.264 -3.360 -4.086 1.00 0.00 C ATOM 0 H LEU A 33 -3.665 -3.958 -5.665 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.458 -1.547 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.685 -3.168 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.192 -1.553 -5.482 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.249 -2.186 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.514 -4.537 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.001 -3.877 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.956 -4.963 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.677 -3.755 -3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.325 -4.122 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.833 -2.482 -4.392 1.00 0.00 H new ATOM 507 N GLY A 34 -4.065 -1.372 -7.305 1.00 0.00 N ATOM 508 CA GLY A 34 -4.407 -0.460 -8.378 1.00 0.00 C ATOM 509 C GLY A 34 -3.233 -0.185 -9.301 1.00 0.00 C ATOM 510 O GLY A 34 -3.199 0.837 -9.988 1.00 0.00 O ATOM 0 H GLY A 34 -4.259 -2.354 -7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.231 -0.877 -8.957 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.760 0.480 -7.954 1.00 0.00 H new ATOM 514 N ILE A 35 -2.272 -1.100 -9.325 1.00 0.00 N ATOM 515 CA ILE A 35 -1.077 -0.938 -10.143 1.00 0.00 C ATOM 516 C ILE A 35 -0.970 -2.053 -11.171 1.00 0.00 C ATOM 517 O ILE A 35 -1.755 -3.004 -11.153 1.00 0.00 O ATOM 518 CB ILE A 35 0.206 -0.936 -9.282 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.287 -2.213 -8.439 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.238 0.294 -8.391 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.581 -2.357 -7.666 1.00 0.00 C ATOM 0 H ILE A 35 -2.297 -1.965 -8.785 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.169 0.024 -10.648 1.00 0.00 H new ATOM 0 HB ILE A 35 1.071 -0.907 -9.945 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.547 -2.227 -7.738 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.168 -3.077 -9.093 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.147 0.284 -7.789 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.222 1.192 -9.009 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.632 0.290 -7.734 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.562 -3.285 -7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.420 -2.376 -8.361 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.694 -1.514 -6.985 1.00 0.00 H new ATOM 533 N ASN A 36 0.000 -1.935 -12.066 1.00 0.00 N ATOM 534 CA ASN A 36 0.259 -2.967 -13.047 1.00 0.00 C ATOM 535 C ASN A 36 0.897 -4.176 -12.376 1.00 0.00 C ATOM 536 O ASN A 36 1.593 -4.038 -11.367 1.00 0.00 O ATOM 537 CB ASN A 36 1.184 -2.425 -14.135 1.00 0.00 C ATOM 538 CG ASN A 36 1.283 -3.355 -15.318 1.00 0.00 C ATOM 539 OD1 ASN A 36 2.156 -4.218 -15.375 1.00 0.00 O ATOM 540 ND2 ASN A 36 0.377 -3.195 -16.265 1.00 0.00 N ATOM 0 H ASN A 36 0.621 -1.128 -12.129 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.684 -3.273 -13.500 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.819 -1.454 -14.469 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.178 -2.265 -13.717 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.384 -3.801 -17.085 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.330 -2.465 -16.176 1.00 0.00 H new ATOM 547 N ARG A 37 0.667 -5.356 -12.937 1.00 0.00 N ATOM 548 CA ARG A 37 1.205 -6.581 -12.380 1.00 0.00 C ATOM 549 C ARG A 37 2.732 -6.582 -12.450 1.00 0.00 C ATOM 550 O ARG A 37 3.401 -7.184 -11.612 1.00 0.00 O ATOM 551 CB ARG A 37 0.631 -7.792 -13.120 1.00 0.00 C ATOM 552 CG ARG A 37 1.104 -7.926 -14.556 1.00 0.00 C ATOM 553 CD ARG A 37 0.598 -9.211 -15.189 1.00 0.00 C ATOM 554 NE ARG A 37 1.181 -9.430 -16.509 1.00 0.00 N ATOM 555 CZ ARG A 37 1.443 -10.635 -17.022 1.00 0.00 C ATOM 556 NH1 ARG A 37 1.102 -11.734 -16.362 1.00 0.00 N ATOM 557 NH2 ARG A 37 2.030 -10.740 -18.207 1.00 0.00 N ATOM 0 H ARG A 37 0.109 -5.486 -13.781 1.00 0.00 H new ATOM 0 HA ARG A 37 0.915 -6.643 -11.331 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.899 -8.697 -12.575 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.457 -7.726 -13.112 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.756 -7.071 -15.136 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.193 -7.909 -14.585 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.837 -10.054 -14.541 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.488 -9.172 -15.273 1.00 0.00 H new ATOM 0 HE ARG A 37 1.402 -8.611 -17.075 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.637 -11.662 -15.457 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.305 -12.651 -16.759 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.282 -9.900 -18.728 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.229 -11.661 -18.598 1.00 0.00 H new ATOM 571 N VAL A 38 3.277 -5.891 -13.447 1.00 0.00 N ATOM 572 CA VAL A 38 4.721 -5.784 -13.602 1.00 0.00 C ATOM 573 C VAL A 38 5.301 -4.859 -12.537 1.00 0.00 C ATOM 574 O VAL A 38 6.362 -5.134 -11.980 1.00 0.00 O ATOM 575 CB VAL A 38 5.111 -5.278 -15.010 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.624 -5.130 -15.138 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.580 -6.226 -16.077 1.00 0.00 C ATOM 0 H VAL A 38 2.739 -5.397 -14.159 1.00 0.00 H new ATOM 0 HA VAL A 38 5.138 -6.783 -13.479 1.00 0.00 H new ATOM 0 HB VAL A 38 4.661 -4.296 -15.155 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.871 -4.773 -16.138 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.984 -4.415 -14.398 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.100 -6.096 -14.970 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.862 -5.858 -17.064 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.004 -7.219 -15.925 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.494 -6.281 -16.007 1.00 0.00 H new ATOM 587 N THR A 39 4.585 -3.774 -12.241 1.00 0.00 N ATOM 588 CA THR A 39 4.988 -2.851 -11.186 1.00 0.00 C ATOM 589 C THR A 39 5.134 -3.596 -9.860 1.00 0.00 C ATOM 590 O THR A 39 6.103 -3.399 -9.122 1.00 0.00 O ATOM 591 CB THR A 39 3.956 -1.720 -11.022 1.00 0.00 C ATOM 592 OG1 THR A 39 3.651 -1.156 -12.304 1.00 0.00 O ATOM 593 CG2 THR A 39 4.476 -0.626 -10.097 1.00 0.00 C ATOM 0 H THR A 39 3.722 -3.515 -12.719 1.00 0.00 H new ATOM 0 HA THR A 39 5.947 -2.416 -11.469 1.00 0.00 H new ATOM 0 HB THR A 39 3.056 -2.145 -10.578 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.993 -0.438 -12.197 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.724 0.158 -10.002 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.685 -1.049 -9.115 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.391 -0.203 -10.512 1.00 0.00 H new ATOM 601 N LEU A 40 4.167 -4.464 -9.580 1.00 0.00 N ATOM 602 CA LEU A 40 4.197 -5.302 -8.389 1.00 0.00 C ATOM 603 C LEU A 40 5.408 -6.230 -8.417 1.00 0.00 C ATOM 604 O LEU A 40 6.197 -6.268 -7.473 1.00 0.00 O ATOM 605 CB LEU A 40 2.911 -6.133 -8.306 1.00 0.00 C ATOM 606 CG LEU A 40 2.835 -7.110 -7.134 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.714 -6.361 -5.817 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.670 -8.067 -7.322 1.00 0.00 C ATOM 0 H LEU A 40 3.346 -4.605 -10.169 1.00 0.00 H new ATOM 0 HA LEU A 40 4.271 -4.658 -7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.062 -5.452 -8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.802 -6.696 -9.233 1.00 0.00 H new ATOM 0 HG LEU A 40 3.757 -7.691 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.661 -7.076 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.584 -5.718 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.810 -5.752 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.627 -8.758 -6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.740 -7.502 -7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.806 -8.629 -8.246 1.00 0.00 H new ATOM 620 N LYS A 41 5.546 -6.959 -9.522 1.00 0.00 N ATOM 621 CA LYS A 41 6.630 -7.922 -9.702 1.00 0.00 C ATOM 622 C LYS A 41 7.990 -7.253 -9.533 1.00 0.00 C ATOM 623 O LYS A 41 8.882 -7.789 -8.876 1.00 0.00 O ATOM 624 CB LYS A 41 6.517 -8.547 -11.093 1.00 0.00 C ATOM 625 CG LYS A 41 7.440 -9.734 -11.326 1.00 0.00 C ATOM 626 CD LYS A 41 7.138 -10.411 -12.652 1.00 0.00 C ATOM 627 CE LYS A 41 8.066 -11.586 -12.915 1.00 0.00 C ATOM 628 NZ LYS A 41 7.672 -12.333 -14.141 1.00 0.00 N ATOM 0 H LYS A 41 4.910 -6.899 -10.317 1.00 0.00 H new ATOM 0 HA LYS A 41 6.544 -8.698 -8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.487 -8.867 -11.252 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.732 -7.783 -11.840 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.477 -9.400 -11.313 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.326 -10.452 -10.514 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.104 -10.757 -12.655 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.234 -9.685 -13.460 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.089 -11.225 -13.021 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.053 -12.260 -12.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.327 -13.127 -14.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.705 -12.698 -14.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.709 -11.696 -14.962 1.00 0.00 H new ATOM 642 N ASN A 42 8.126 -6.079 -10.126 1.00 0.00 N ATOM 643 CA ASN A 42 9.363 -5.301 -10.052 1.00 0.00 C ATOM 644 C ASN A 42 9.760 -4.988 -8.607 1.00 0.00 C ATOM 645 O ASN A 42 10.949 -4.961 -8.282 1.00 0.00 O ATOM 646 CB ASN A 42 9.228 -4.007 -10.861 1.00 0.00 C ATOM 647 CG ASN A 42 9.450 -4.226 -12.348 1.00 0.00 C ATOM 648 OD1 ASN A 42 9.256 -5.326 -12.866 1.00 0.00 O ATOM 649 ND2 ASN A 42 9.849 -3.176 -13.047 1.00 0.00 N ATOM 0 H ASN A 42 7.388 -5.635 -10.672 1.00 0.00 H new ATOM 0 HA ASN A 42 10.157 -5.911 -10.482 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.235 -3.585 -10.703 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.947 -3.275 -10.493 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.007 -3.262 -14.051 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.999 -2.281 -12.582 1.00 0.00 H new ATOM 656 N TRP A 43 8.775 -4.740 -7.741 1.00 0.00 N ATOM 657 CA TRP A 43 9.053 -4.539 -6.318 1.00 0.00 C ATOM 658 C TRP A 43 9.518 -5.849 -5.691 1.00 0.00 C ATOM 659 O TRP A 43 10.523 -5.897 -4.980 1.00 0.00 O ATOM 660 CB TRP A 43 7.815 -4.039 -5.558 1.00 0.00 C ATOM 661 CG TRP A 43 7.379 -2.644 -5.896 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.124 -1.656 -6.476 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.093 -2.074 -5.632 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.367 -0.516 -6.614 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.116 -0.751 -6.107 1.00 0.00 C ATOM 666 CE3 TRP A 43 4.916 -2.564 -5.059 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.013 0.093 -6.009 1.00 0.00 C ATOM 668 CZ3 TRP A 43 3.823 -1.724 -4.962 1.00 0.00 C ATOM 669 CH2 TRP A 43 3.876 -0.412 -5.443 1.00 0.00 C ATOM 0 H TRP A 43 7.790 -4.674 -7.996 1.00 0.00 H new ATOM 0 HA TRP A 43 9.833 -3.781 -6.243 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.987 -4.720 -5.757 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.020 -4.090 -4.489 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.155 -1.756 -6.781 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.685 0.361 -7.026 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.862 -3.581 -4.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.054 1.111 -6.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.913 -2.087 -4.507 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.000 0.215 -5.366 1.00 0.00 H new ATOM 680 N ILE A 44 8.774 -6.907 -5.980 1.00 0.00 N ATOM 681 CA ILE A 44 9.027 -8.227 -5.413 1.00 0.00 C ATOM 682 C ILE A 44 10.433 -8.720 -5.740 1.00 0.00 C ATOM 683 O ILE A 44 11.169 -9.148 -4.853 1.00 0.00 O ATOM 684 CB ILE A 44 8.000 -9.253 -5.934 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.581 -8.767 -5.638 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.237 -10.623 -5.308 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.509 -9.531 -6.379 1.00 0.00 C ATOM 0 H ILE A 44 7.976 -6.876 -6.615 1.00 0.00 H new ATOM 0 HA ILE A 44 8.932 -8.131 -4.331 1.00 0.00 H new ATOM 0 HB ILE A 44 8.122 -9.350 -7.013 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.396 -8.846 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.507 -7.711 -5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.501 -11.330 -5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.239 -10.970 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.141 -10.550 -4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.530 -9.129 -6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.668 -9.432 -7.453 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.555 -10.584 -6.101 1.00 0.00 H new ATOM 699 N ILE A 45 10.801 -8.647 -7.014 1.00 0.00 N ATOM 700 CA ILE A 45 12.107 -9.119 -7.470 1.00 0.00 C ATOM 701 C ILE A 45 13.244 -8.364 -6.776 1.00 0.00 C ATOM 702 O ILE A 45 14.297 -8.927 -6.494 1.00 0.00 O ATOM 703 CB ILE A 45 12.257 -8.963 -9.002 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.161 -9.747 -9.730 1.00 0.00 C ATOM 705 CG2 ILE A 45 13.635 -9.430 -9.464 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.180 -9.566 -11.233 1.00 0.00 C ATOM 0 H ILE A 45 10.212 -8.264 -7.754 1.00 0.00 H new ATOM 0 HA ILE A 45 12.169 -10.176 -7.211 1.00 0.00 H new ATOM 0 HB ILE A 45 12.153 -7.906 -9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.270 -10.807 -9.499 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.189 -9.436 -9.348 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.716 -9.311 -10.544 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.405 -8.833 -8.974 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.769 -10.480 -9.204 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.376 -10.151 -11.680 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.040 -8.512 -11.474 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.138 -9.904 -11.628 1.00 0.00 H new ATOM 718 N LYS A 46 13.018 -7.092 -6.489 1.00 0.00 N ATOM 719 CA LYS A 46 14.063 -6.247 -5.932 1.00 0.00 C ATOM 720 C LYS A 46 14.174 -6.415 -4.418 1.00 0.00 C ATOM 721 O LYS A 46 15.275 -6.531 -3.875 1.00 0.00 O ATOM 722 CB LYS A 46 13.794 -4.782 -6.283 1.00 0.00 C ATOM 723 CG LYS A 46 14.970 -3.860 -6.009 1.00 0.00 C ATOM 724 CD LYS A 46 14.682 -2.441 -6.475 1.00 0.00 C ATOM 725 CE LYS A 46 15.925 -1.566 -6.408 1.00 0.00 C ATOM 726 NZ LYS A 46 17.017 -2.080 -7.279 1.00 0.00 N ATOM 0 H LYS A 46 12.124 -6.623 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 46 15.012 -6.555 -6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.529 -4.714 -7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.932 -4.434 -5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.191 -3.856 -4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.857 -4.238 -6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.306 -2.463 -7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.897 -2.007 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.670 -0.550 -6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.277 -1.515 -5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.703 -1.320 -7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.496 -2.872 -6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.616 -2.408 -8.181 1.00 0.00 H new ATOM 740 N TYR A 47 13.038 -6.428 -3.737 1.00 0.00 N ATOM 741 CA TYR A 47 13.026 -6.495 -2.278 1.00 0.00 C ATOM 742 C TYR A 47 13.093 -7.931 -1.764 1.00 0.00 C ATOM 743 O TYR A 47 13.654 -8.188 -0.699 1.00 0.00 O ATOM 744 CB TYR A 47 11.787 -5.790 -1.721 1.00 0.00 C ATOM 745 CG TYR A 47 11.858 -4.280 -1.804 1.00 0.00 C ATOM 746 CD1 TYR A 47 11.550 -3.607 -2.982 1.00 0.00 C ATOM 747 CD2 TYR A 47 12.240 -3.527 -0.701 1.00 0.00 C ATOM 748 CE1 TYR A 47 11.620 -2.230 -3.054 1.00 0.00 C ATOM 749 CE2 TYR A 47 12.310 -2.148 -0.766 1.00 0.00 C ATOM 750 CZ TYR A 47 12.002 -1.505 -1.944 1.00 0.00 C ATOM 751 OH TYR A 47 12.073 -0.133 -2.017 1.00 0.00 O ATOM 0 H TYR A 47 12.114 -6.393 -4.167 1.00 0.00 H new ATOM 0 HA TYR A 47 13.921 -5.982 -1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.908 -6.134 -2.266 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.651 -6.082 -0.680 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.252 -4.170 -3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.487 -4.028 0.224 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.377 -1.722 -3.976 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.605 -1.578 0.103 1.00 0.00 H new ATOM 0 HH TYR A 47 12.356 0.226 -1.150 1.00 0.00 H new ATOM 761 N GLY A 48 12.541 -8.863 -2.525 1.00 0.00 N ATOM 762 CA GLY A 48 12.515 -10.247 -2.091 1.00 0.00 C ATOM 763 C GLY A 48 13.527 -11.108 -2.822 1.00 0.00 C ATOM 764 O GLY A 48 13.320 -12.311 -2.989 1.00 0.00 O ATOM 0 H GLY A 48 12.111 -8.688 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.712 -10.292 -1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.516 -10.654 -2.248 1.00 0.00 H new ATOM 928 N ALA A 61 24.118 -25.094 -19.057 1.00 0.00 N ATOM 929 CA ALA A 61 23.319 -25.921 -19.951 1.00 0.00 C ATOM 930 C ALA A 61 23.533 -25.525 -21.406 1.00 0.00 C ATOM 931 O ALA A 61 22.957 -26.122 -22.312 1.00 0.00 O ATOM 932 CB ALA A 61 21.845 -25.838 -19.584 1.00 0.00 C ATOM 0 HA ALA A 61 23.647 -26.954 -19.834 1.00 0.00 H new ATOM 0 HB1 ALA A 61 21.265 -26.463 -20.263 1.00 0.00 H new ATOM 0 HB2 ALA A 61 21.705 -26.187 -18.561 1.00 0.00 H new ATOM 0 HB3 ALA A 61 21.508 -24.805 -19.664 1.00 0.00 H new ATOM 938 N VAL A 62 24.366 -24.517 -21.623 1.00 0.00 N ATOM 939 CA VAL A 62 24.695 -24.076 -22.972 1.00 0.00 C ATOM 940 C VAL A 62 25.793 -24.957 -23.560 1.00 0.00 C ATOM 941 O VAL A 62 25.676 -25.468 -24.677 1.00 0.00 O ATOM 942 CB VAL A 62 25.146 -22.596 -22.989 1.00 0.00 C ATOM 943 CG1 VAL A 62 25.508 -22.156 -24.398 1.00 0.00 C ATOM 944 CG2 VAL A 62 24.060 -21.698 -22.411 1.00 0.00 C ATOM 0 H VAL A 62 24.827 -23.989 -20.882 1.00 0.00 H new ATOM 0 HA VAL A 62 23.794 -24.164 -23.579 1.00 0.00 H new ATOM 0 HB VAL A 62 26.036 -22.506 -22.366 1.00 0.00 H new ATOM 0 HG11 VAL A 62 25.822 -21.112 -24.384 1.00 0.00 H new ATOM 0 HG12 VAL A 62 26.323 -22.775 -24.774 1.00 0.00 H new ATOM 0 HG13 VAL A 62 24.640 -22.265 -25.048 1.00 0.00 H new ATOM 0 HG21 VAL A 62 24.396 -20.661 -22.432 1.00 0.00 H new ATOM 0 HG22 VAL A 62 23.152 -21.797 -23.005 1.00 0.00 H new ATOM 0 HG23 VAL A 62 23.854 -21.992 -21.382 1.00 0.00 H new ATOM 954 N SER A 63 26.841 -25.152 -22.780 1.00 0.00 N ATOM 955 CA SER A 63 27.978 -25.959 -23.199 1.00 0.00 C ATOM 956 C SER A 63 27.636 -27.445 -23.137 1.00 0.00 C ATOM 957 O SER A 63 28.033 -28.223 -24.005 1.00 0.00 O ATOM 958 CB SER A 63 29.184 -25.662 -22.308 1.00 0.00 C ATOM 959 OG SER A 63 29.456 -24.270 -22.269 1.00 0.00 O ATOM 0 H SER A 63 26.930 -24.759 -21.843 1.00 0.00 H new ATOM 0 HA SER A 63 28.223 -25.704 -24.230 1.00 0.00 H new ATOM 0 HB2 SER A 63 28.994 -26.028 -21.299 1.00 0.00 H new ATOM 0 HB3 SER A 63 30.057 -26.197 -22.682 1.00 0.00 H new ATOM 0 HG SER A 63 30.230 -24.104 -21.692 1.00 0.00 H new ATOM 965 N GLU A 64 26.871 -27.824 -22.118 1.00 0.00 N ATOM 966 CA GLU A 64 26.502 -29.220 -21.900 1.00 0.00 C ATOM 967 C GLU A 64 25.643 -29.743 -23.054 1.00 0.00 C ATOM 968 O GLU A 64 25.580 -30.949 -23.309 1.00 0.00 O ATOM 969 CB GLU A 64 25.740 -29.346 -20.579 1.00 0.00 C ATOM 970 CG GLU A 64 25.697 -30.758 -20.015 1.00 0.00 C ATOM 971 CD GLU A 64 27.028 -31.203 -19.442 1.00 0.00 C ATOM 972 OE1 GLU A 64 27.296 -30.901 -18.259 1.00 0.00 O ATOM 973 OE2 GLU A 64 27.815 -31.853 -20.160 1.00 0.00 O ATOM 0 H GLU A 64 26.492 -27.179 -21.425 1.00 0.00 H new ATOM 0 HA GLU A 64 27.411 -29.820 -21.855 1.00 0.00 H new ATOM 0 HB2 GLU A 64 26.200 -28.687 -19.843 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.719 -28.995 -20.727 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.936 -30.810 -19.236 1.00 0.00 H new ATOM 0 HG3 GLU A 64 25.396 -31.450 -20.802 1.00 0.00 H new ATOM 980 N ALA A 65 25.002 -28.818 -23.761 1.00 0.00 N ATOM 981 CA ALA A 65 24.094 -29.155 -24.852 1.00 0.00 C ATOM 982 C ALA A 65 24.801 -29.904 -25.982 1.00 0.00 C ATOM 983 O ALA A 65 24.195 -30.743 -26.639 1.00 0.00 O ATOM 984 CB ALA A 65 23.432 -27.894 -25.390 1.00 0.00 C ATOM 0 H ALA A 65 25.097 -27.816 -23.595 1.00 0.00 H new ATOM 0 HA ALA A 65 23.332 -29.822 -24.448 1.00 0.00 H new ATOM 0 HB1 ALA A 65 22.756 -28.157 -26.204 1.00 0.00 H new ATOM 0 HB2 ALA A 65 22.868 -27.410 -24.592 1.00 0.00 H new ATOM 0 HB3 ALA A 65 24.197 -27.211 -25.760 1.00 0.00 H new ATOM 990 N GLU A 66 26.082 -29.606 -26.193 1.00 0.00 N ATOM 991 CA GLU A 66 26.844 -30.223 -27.281 1.00 0.00 C ATOM 992 C GLU A 66 27.049 -31.713 -27.019 1.00 0.00 C ATOM 993 O GLU A 66 27.000 -32.537 -27.934 1.00 0.00 O ATOM 994 CB GLU A 66 28.205 -29.535 -27.433 1.00 0.00 C ATOM 995 CG GLU A 66 28.939 -29.892 -28.724 1.00 0.00 C ATOM 996 CD GLU A 66 28.217 -29.420 -29.978 1.00 0.00 C ATOM 997 OE1 GLU A 66 28.339 -28.227 -30.322 1.00 0.00 O ATOM 998 OE2 GLU A 66 27.538 -30.243 -30.629 1.00 0.00 O ATOM 0 H GLU A 66 26.614 -28.944 -25.628 1.00 0.00 H new ATOM 0 HA GLU A 66 26.276 -30.103 -28.204 1.00 0.00 H new ATOM 0 HB2 GLU A 66 28.061 -28.455 -27.395 1.00 0.00 H new ATOM 0 HB3 GLU A 66 28.833 -29.803 -26.584 1.00 0.00 H new ATOM 0 HG2 GLU A 66 29.936 -29.452 -28.700 1.00 0.00 H new ATOM 0 HG3 GLU A 66 29.068 -30.973 -28.773 1.00 0.00 H new ATOM 1005 N GLN A 67 27.277 -32.048 -25.759 1.00 0.00 N ATOM 1006 CA GLN A 67 27.519 -33.427 -25.359 1.00 0.00 C ATOM 1007 C GLN A 67 26.204 -34.194 -25.262 1.00 0.00 C ATOM 1008 O GLN A 67 26.107 -35.341 -25.700 1.00 0.00 O ATOM 1009 CB GLN A 67 28.275 -33.447 -24.032 1.00 0.00 C ATOM 1010 CG GLN A 67 29.570 -32.650 -24.095 1.00 0.00 C ATOM 1011 CD GLN A 67 30.270 -32.529 -22.761 1.00 0.00 C ATOM 1012 OE1 GLN A 67 30.201 -33.423 -21.917 1.00 0.00 O ATOM 1013 NE2 GLN A 67 30.956 -31.413 -22.572 1.00 0.00 N ATOM 0 H GLN A 67 27.300 -31.379 -24.990 1.00 0.00 H new ATOM 0 HA GLN A 67 28.131 -33.922 -26.113 1.00 0.00 H new ATOM 0 HB2 GLN A 67 27.638 -33.040 -23.247 1.00 0.00 H new ATOM 0 HB3 GLN A 67 28.498 -34.478 -23.759 1.00 0.00 H new ATOM 0 HG2 GLN A 67 30.244 -33.124 -24.808 1.00 0.00 H new ATOM 0 HG3 GLN A 67 29.354 -31.651 -24.475 1.00 0.00 H new ATOM 0 HE21 GLN A 67 30.983 -30.701 -23.302 1.00 0.00 H new ATOM 0 HE22 GLN A 67 31.458 -31.265 -21.696 1.00 0.00 H new ATOM 1022 N ILE A 68 25.191 -33.540 -24.704 1.00 0.00 N ATOM 1023 CA ILE A 68 23.846 -34.103 -24.638 1.00 0.00 C ATOM 1024 C ILE A 68 23.299 -34.329 -26.051 1.00 0.00 C ATOM 1025 O ILE A 68 22.558 -35.279 -26.302 1.00 0.00 O ATOM 1026 CB ILE A 68 22.902 -33.180 -23.817 1.00 0.00 C ATOM 1027 CG1 ILE A 68 22.853 -33.634 -22.351 1.00 0.00 C ATOM 1028 CG2 ILE A 68 21.495 -33.136 -24.400 1.00 0.00 C ATOM 1029 CD1 ILE A 68 24.204 -33.696 -21.676 1.00 0.00 C ATOM 0 H ILE A 68 25.277 -32.613 -24.288 1.00 0.00 H new ATOM 0 HA ILE A 68 23.895 -35.066 -24.129 1.00 0.00 H new ATOM 0 HB ILE A 68 23.310 -32.171 -23.869 1.00 0.00 H new ATOM 0 HG12 ILE A 68 22.211 -32.952 -21.793 1.00 0.00 H new ATOM 0 HG13 ILE A 68 22.390 -34.619 -22.303 1.00 0.00 H new ATOM 0 HG21 ILE A 68 20.871 -32.479 -23.794 1.00 0.00 H new ATOM 0 HG22 ILE A 68 21.536 -32.757 -25.421 1.00 0.00 H new ATOM 0 HG23 ILE A 68 21.070 -34.140 -24.402 1.00 0.00 H new ATOM 0 HD11 ILE A 68 24.080 -34.025 -20.644 1.00 0.00 H new ATOM 0 HD12 ILE A 68 24.844 -34.400 -22.207 1.00 0.00 H new ATOM 0 HD13 ILE A 68 24.663 -32.707 -21.689 1.00 0.00 H new ATOM 1041 N ARG A 69 23.708 -33.455 -26.963 1.00 0.00 N ATOM 1042 CA ARG A 69 23.346 -33.535 -28.376 1.00 0.00 C ATOM 1043 C ARG A 69 23.706 -34.903 -28.959 1.00 0.00 C ATOM 1044 O ARG A 69 22.991 -35.439 -29.798 1.00 0.00 O ATOM 1045 CB ARG A 69 24.105 -32.435 -29.119 1.00 0.00 C ATOM 1046 CG ARG A 69 23.714 -32.220 -30.565 1.00 0.00 C ATOM 1047 CD ARG A 69 24.616 -31.163 -31.182 1.00 0.00 C ATOM 1048 NE ARG A 69 24.185 -30.752 -32.511 1.00 0.00 N ATOM 1049 CZ ARG A 69 24.963 -30.094 -33.365 1.00 0.00 C ATOM 1050 NH1 ARG A 69 26.222 -29.818 -33.049 1.00 0.00 N ATOM 1051 NH2 ARG A 69 24.481 -29.693 -34.529 1.00 0.00 N ATOM 0 H ARG A 69 24.308 -32.660 -26.741 1.00 0.00 H new ATOM 0 HA ARG A 69 22.270 -33.403 -28.486 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.964 -31.497 -28.582 1.00 0.00 H new ATOM 0 HB3 ARG A 69 25.169 -32.667 -29.082 1.00 0.00 H new ATOM 0 HG2 ARG A 69 23.800 -33.155 -31.119 1.00 0.00 H new ATOM 0 HG3 ARG A 69 22.672 -31.906 -30.628 1.00 0.00 H new ATOM 0 HD2 ARG A 69 24.643 -30.291 -30.529 1.00 0.00 H new ATOM 0 HD3 ARG A 69 25.633 -31.550 -31.240 1.00 0.00 H new ATOM 0 HE ARG A 69 23.235 -30.981 -32.802 1.00 0.00 H new ATOM 0 HH11 ARG A 69 26.597 -30.111 -32.147 1.00 0.00 H new ATOM 0 HH12 ARG A 69 26.814 -29.313 -33.708 1.00 0.00 H new ATOM 0 HH21 ARG A 69 23.510 -29.888 -34.774 1.00 0.00 H new ATOM 0 HH22 ARG A 69 25.080 -29.188 -35.182 1.00 0.00 H new ATOM 1065 N GLN A 70 24.831 -35.439 -28.511 1.00 0.00 N ATOM 1066 CA GLN A 70 25.337 -36.717 -28.976 1.00 0.00 C ATOM 1067 C GLN A 70 24.616 -37.884 -28.304 1.00 0.00 C ATOM 1068 O GLN A 70 24.161 -38.822 -28.965 1.00 0.00 O ATOM 1069 CB GLN A 70 26.828 -36.773 -28.653 1.00 0.00 C ATOM 1070 CG GLN A 70 27.591 -37.880 -29.350 1.00 0.00 C ATOM 1071 CD GLN A 70 27.566 -39.191 -28.586 1.00 0.00 C ATOM 1072 OE1 GLN A 70 27.459 -39.209 -27.360 1.00 0.00 O ATOM 1073 NE2 GLN A 70 27.693 -40.299 -29.299 1.00 0.00 N ATOM 0 H GLN A 70 25.422 -34.994 -27.809 1.00 0.00 H new ATOM 0 HA GLN A 70 25.165 -36.805 -30.049 1.00 0.00 H new ATOM 0 HB2 GLN A 70 27.279 -35.817 -28.920 1.00 0.00 H new ATOM 0 HB3 GLN A 70 26.947 -36.892 -27.576 1.00 0.00 H new ATOM 0 HG2 GLN A 70 27.168 -38.036 -30.342 1.00 0.00 H new ATOM 0 HG3 GLN A 70 28.626 -37.568 -29.490 1.00 0.00 H new ATOM 0 HE21 GLN A 70 27.779 -40.245 -30.314 1.00 0.00 H new ATOM 0 HE22 GLN A 70 27.705 -41.207 -28.833 1.00 0.00 H new ATOM 1082 N LEU A 71 24.534 -37.809 -26.987 1.00 0.00 N ATOM 1083 CA LEU A 71 24.071 -38.927 -26.169 1.00 0.00 C ATOM 1084 C LEU A 71 22.542 -39.033 -26.125 1.00 0.00 C ATOM 1085 O LEU A 71 21.986 -40.106 -26.366 1.00 0.00 O ATOM 1086 CB LEU A 71 24.650 -38.787 -24.753 1.00 0.00 C ATOM 1087 CG LEU A 71 24.612 -40.049 -23.880 1.00 0.00 C ATOM 1088 CD1 LEU A 71 25.646 -39.950 -22.771 1.00 0.00 C ATOM 1089 CD2 LEU A 71 23.231 -40.265 -23.274 1.00 0.00 C ATOM 0 H LEU A 71 24.784 -36.977 -26.452 1.00 0.00 H new ATOM 0 HA LEU A 71 24.427 -39.850 -26.627 1.00 0.00 H new ATOM 0 HB2 LEU A 71 25.686 -38.459 -24.837 1.00 0.00 H new ATOM 0 HB3 LEU A 71 24.106 -37.996 -24.237 1.00 0.00 H new ATOM 0 HG LEU A 71 24.842 -40.901 -24.519 1.00 0.00 H new ATOM 0 HD11 LEU A 71 25.610 -40.851 -22.158 1.00 0.00 H new ATOM 0 HD12 LEU A 71 26.639 -39.848 -23.208 1.00 0.00 H new ATOM 0 HD13 LEU A 71 25.432 -39.080 -22.150 1.00 0.00 H new ATOM 0 HD21 LEU A 71 23.239 -41.167 -22.662 1.00 0.00 H new ATOM 0 HD22 LEU A 71 22.968 -39.408 -22.654 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.497 -40.375 -24.072 1.00 0.00 H new ATOM 1101 N LYS A 72 21.864 -37.927 -25.827 1.00 0.00 N ATOM 1102 CA LYS A 72 20.422 -37.966 -25.583 1.00 0.00 C ATOM 1103 C LYS A 72 19.656 -38.209 -26.884 1.00 0.00 C ATOM 1104 O LYS A 72 18.585 -38.820 -26.887 1.00 0.00 O ATOM 1105 CB LYS A 72 19.953 -36.672 -24.903 1.00 0.00 C ATOM 1106 CG LYS A 72 18.541 -36.753 -24.327 1.00 0.00 C ATOM 1107 CD LYS A 72 18.246 -35.593 -23.390 1.00 0.00 C ATOM 1108 CE LYS A 72 18.133 -34.272 -24.134 1.00 0.00 C ATOM 1109 NZ LYS A 72 16.842 -34.136 -24.864 1.00 0.00 N ATOM 0 H LYS A 72 22.284 -37.001 -25.749 1.00 0.00 H new ATOM 0 HA LYS A 72 20.212 -38.798 -24.910 1.00 0.00 H new ATOM 0 HB2 LYS A 72 20.648 -36.422 -24.102 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.994 -35.858 -25.626 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.816 -36.756 -25.141 1.00 0.00 H new ATOM 0 HG3 LYS A 72 18.421 -37.694 -23.790 1.00 0.00 H new ATOM 0 HD2 LYS A 72 17.317 -35.788 -22.854 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.036 -35.521 -22.643 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.234 -33.450 -23.425 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.957 -34.186 -24.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.815 -33.219 -25.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.754 -34.903 -25.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.054 -34.190 -24.188 1.00 0.00 H new