USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 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 25 SER OG : rot 115:sc= 0.0628 USER MOD Set 1.2: A 27 GLN : amide:sc= -0.089 X(o=0.88,f=0.5) USER MOD Set 1.3: A 28 GLN : amide:sc= 0.781 K(o=0.88,f=-0.63) USER MOD Set 1.4: A 31 ASN :FLIP amide:sc= 0.125 F(o=-2.1!,f=0.88) USER MOD Single : A 7 SER OG : rot -41:sc= 0.199 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= 0.698 K(o=0.7,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.437 K(o=0.44,f=-6.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.412 USER MOD Single : A 41 LYS NZ :NH3+ 134:sc= -0.858 (180deg=-2.41!) USER MOD Single : A 42 ASN : amide:sc=-0.000384 K(o=-0.00038,f=-0.99) USER MOD Single : A 46 LYS NZ :NH3+ -122:sc= -0.0139 (180deg=-0.862) USER MOD Single : A 47 TYR OH : rot -30:sc= -0.772 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -1.03 F(o=-2.4!,f=-1) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= -0.0891 (180deg=-0.615) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 6.209 4.231 0.187 1.00 0.00 N ATOM 106 CA SER A 7 7.570 4.039 0.660 1.00 0.00 C ATOM 107 C SER A 7 8.005 2.588 0.453 1.00 0.00 C ATOM 108 O SER A 7 7.311 1.816 -0.219 1.00 0.00 O ATOM 109 CB SER A 7 7.637 4.412 2.138 1.00 0.00 C ATOM 110 OG SER A 7 6.645 3.716 2.877 1.00 0.00 O ATOM 0 HA SER A 7 8.248 4.678 0.094 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.625 4.175 2.533 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.496 5.487 2.254 1.00 0.00 H new ATOM 0 HG SER A 7 5.809 3.697 2.365 1.00 0.00 H new ATOM 116 N GLU A 8 9.143 2.210 1.032 1.00 0.00 N ATOM 117 CA GLU A 8 9.640 0.846 0.894 1.00 0.00 C ATOM 118 C GLU A 8 8.748 -0.134 1.651 1.00 0.00 C ATOM 119 O GLU A 8 8.603 -1.288 1.248 1.00 0.00 O ATOM 120 CB GLU A 8 11.088 0.723 1.382 1.00 0.00 C ATOM 121 CG GLU A 8 11.262 0.880 2.884 1.00 0.00 C ATOM 122 CD GLU A 8 12.657 0.521 3.341 1.00 0.00 C ATOM 123 OE1 GLU A 8 12.903 -0.664 3.646 1.00 0.00 O ATOM 124 OE2 GLU A 8 13.521 1.419 3.394 1.00 0.00 O ATOM 0 H GLU A 8 9.732 2.823 1.595 1.00 0.00 H new ATOM 0 HA GLU A 8 9.617 0.597 -0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.477 -0.250 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.693 1.477 0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.043 1.910 3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.539 0.247 3.399 1.00 0.00 H new ATOM 131 N GLU A 9 8.145 0.339 2.740 1.00 0.00 N ATOM 132 CA GLU A 9 7.276 -0.496 3.564 1.00 0.00 C ATOM 133 C GLU A 9 6.068 -0.962 2.760 1.00 0.00 C ATOM 134 O GLU A 9 5.637 -2.110 2.868 1.00 0.00 O ATOM 135 CB GLU A 9 6.815 0.281 4.801 1.00 0.00 C ATOM 136 CG GLU A 9 6.041 -0.565 5.800 1.00 0.00 C ATOM 137 CD GLU A 9 6.888 -1.664 6.411 1.00 0.00 C ATOM 138 OE1 GLU A 9 7.083 -2.708 5.753 1.00 0.00 O ATOM 139 OE2 GLU A 9 7.367 -1.490 7.551 1.00 0.00 O ATOM 0 H GLU A 9 8.243 1.298 3.072 1.00 0.00 H new ATOM 0 HA GLU A 9 7.840 -1.371 3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.687 0.707 5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.190 1.115 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.657 0.076 6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.178 -1.009 5.303 1.00 0.00 H new ATOM 146 N PHE A 10 5.539 -0.061 1.937 1.00 0.00 N ATOM 147 CA PHE A 10 4.396 -0.369 1.091 1.00 0.00 C ATOM 148 C PHE A 10 4.757 -1.469 0.099 1.00 0.00 C ATOM 149 O PHE A 10 3.978 -2.395 -0.136 1.00 0.00 O ATOM 150 CB PHE A 10 3.934 0.890 0.348 1.00 0.00 C ATOM 151 CG PHE A 10 2.723 0.677 -0.520 1.00 0.00 C ATOM 152 CD1 PHE A 10 1.449 0.675 0.030 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.860 0.473 -1.885 1.00 0.00 C ATOM 154 CE1 PHE A 10 0.335 0.479 -0.767 1.00 0.00 C ATOM 155 CE2 PHE A 10 1.749 0.275 -2.685 1.00 0.00 C ATOM 156 CZ PHE A 10 0.486 0.276 -2.125 1.00 0.00 C ATOM 0 H PHE A 10 5.888 0.893 1.840 1.00 0.00 H new ATOM 0 HA PHE A 10 3.578 -0.722 1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.713 1.670 1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.753 1.255 -0.272 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.326 0.828 1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.845 0.469 -2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.652 0.485 -0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.869 0.120 -3.747 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.382 0.118 -2.748 1.00 0.00 H new ATOM 166 N LYS A 11 5.952 -1.370 -0.463 1.00 0.00 N ATOM 167 CA LYS A 11 6.426 -2.354 -1.423 1.00 0.00 C ATOM 168 C LYS A 11 6.713 -3.684 -0.731 1.00 0.00 C ATOM 169 O LYS A 11 6.442 -4.752 -1.278 1.00 0.00 O ATOM 170 CB LYS A 11 7.680 -1.835 -2.131 1.00 0.00 C ATOM 171 CG LYS A 11 7.501 -0.458 -2.753 1.00 0.00 C ATOM 172 CD LYS A 11 8.716 -0.048 -3.566 1.00 0.00 C ATOM 173 CE LYS A 11 8.557 1.357 -4.116 1.00 0.00 C ATOM 174 NZ LYS A 11 9.652 1.724 -5.053 1.00 0.00 N ATOM 0 H LYS A 11 6.612 -0.617 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 11 5.647 -2.519 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.502 -1.798 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.967 -2.542 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.618 -0.459 -3.393 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.324 0.276 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.609 -0.099 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.861 -0.749 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.599 1.437 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.535 2.068 -3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.500 2.692 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.565 1.674 -4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.658 1.063 -5.856 1.00 0.00 H new ATOM 188 N ARG A 12 7.250 -3.610 0.484 1.00 0.00 N ATOM 189 CA ARG A 12 7.539 -4.786 1.276 1.00 0.00 C ATOM 190 C ARG A 12 6.260 -5.553 1.610 1.00 0.00 C ATOM 191 O ARG A 12 6.231 -6.783 1.553 1.00 0.00 O ATOM 192 CB ARG A 12 8.260 -4.347 2.545 1.00 0.00 C ATOM 193 CG ARG A 12 8.763 -5.487 3.398 1.00 0.00 C ATOM 194 CD ARG A 12 9.882 -5.033 4.312 1.00 0.00 C ATOM 195 NE ARG A 12 9.440 -4.097 5.347 1.00 0.00 N ATOM 196 CZ ARG A 12 10.241 -3.625 6.304 1.00 0.00 C ATOM 197 NH1 ARG A 12 11.515 -4.005 6.354 1.00 0.00 N ATOM 198 NH2 ARG A 12 9.765 -2.779 7.210 1.00 0.00 N ATOM 0 H ARG A 12 7.494 -2.731 0.940 1.00 0.00 H new ATOM 0 HA ARG A 12 8.176 -5.463 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.104 -3.715 2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.583 -3.734 3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.943 -5.888 3.994 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.117 -6.295 2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.330 -5.905 4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.662 -4.561 3.714 1.00 0.00 H new ATOM 0 HE ARG A 12 8.468 -3.789 5.336 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.880 -4.658 5.660 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.127 -3.644 7.086 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.787 -2.490 7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.377 -2.418 7.942 1.00 0.00 H new ATOM 212 N ASP A 13 5.199 -4.818 1.932 1.00 0.00 N ATOM 213 CA ASP A 13 3.910 -5.431 2.258 1.00 0.00 C ATOM 214 C ASP A 13 3.329 -6.138 1.036 1.00 0.00 C ATOM 215 O ASP A 13 2.718 -7.202 1.149 1.00 0.00 O ATOM 216 CB ASP A 13 2.927 -4.374 2.774 1.00 0.00 C ATOM 217 CG ASP A 13 1.590 -4.967 3.186 1.00 0.00 C ATOM 218 OD1 ASP A 13 1.532 -5.649 4.232 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.589 -4.747 2.477 1.00 0.00 O ATOM 0 H ASP A 13 5.204 -3.799 1.975 1.00 0.00 H new ATOM 0 HA ASP A 13 4.072 -6.169 3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.369 -3.858 3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.764 -3.626 1.998 1.00 0.00 H new ATOM 224 N ALA A 14 3.553 -5.549 -0.134 1.00 0.00 N ATOM 225 CA ALA A 14 3.084 -6.119 -1.389 1.00 0.00 C ATOM 226 C ALA A 14 3.797 -7.434 -1.698 1.00 0.00 C ATOM 227 O ALA A 14 3.206 -8.359 -2.253 1.00 0.00 O ATOM 228 CB ALA A 14 3.285 -5.123 -2.520 1.00 0.00 C ATOM 0 H ALA A 14 4.061 -4.670 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 14 2.020 -6.334 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.931 -5.558 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.723 -4.213 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.344 -4.883 -2.609 1.00 0.00 H new ATOM 234 N VAL A 15 5.068 -7.517 -1.324 1.00 0.00 N ATOM 235 CA VAL A 15 5.844 -8.735 -1.522 1.00 0.00 C ATOM 236 C VAL A 15 5.325 -9.848 -0.619 1.00 0.00 C ATOM 237 O VAL A 15 5.228 -11.005 -1.032 1.00 0.00 O ATOM 238 CB VAL A 15 7.346 -8.504 -1.254 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.139 -9.793 -1.433 1.00 0.00 C ATOM 240 CG2 VAL A 15 7.883 -7.422 -2.172 1.00 0.00 C ATOM 0 H VAL A 15 5.583 -6.756 -0.882 1.00 0.00 H new ATOM 0 HA VAL A 15 5.728 -9.030 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 15 7.460 -8.178 -0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.194 -9.601 -1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.772 -10.546 -0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.019 -10.155 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.944 -7.269 -1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.749 -7.726 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.342 -6.492 -1.994 1.00 0.00 H new ATOM 250 N ALA A 16 4.968 -9.484 0.611 1.00 0.00 N ATOM 251 CA ALA A 16 4.410 -10.440 1.561 1.00 0.00 C ATOM 252 C ALA A 16 3.098 -11.017 1.036 1.00 0.00 C ATOM 253 O ALA A 16 2.763 -12.174 1.301 1.00 0.00 O ATOM 254 CB ALA A 16 4.198 -9.780 2.915 1.00 0.00 C ATOM 0 H ALA A 16 5.056 -8.534 0.972 1.00 0.00 H new ATOM 0 HA ALA A 16 5.119 -11.259 1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.781 -10.506 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.152 -9.417 3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.508 -8.943 2.808 1.00 0.00 H new ATOM 260 N LEU A 17 2.364 -10.202 0.284 1.00 0.00 N ATOM 261 CA LEU A 17 1.124 -10.645 -0.346 1.00 0.00 C ATOM 262 C LEU A 17 1.403 -11.750 -1.364 1.00 0.00 C ATOM 263 O LEU A 17 0.643 -12.712 -1.469 1.00 0.00 O ATOM 264 CB LEU A 17 0.420 -9.476 -1.050 1.00 0.00 C ATOM 265 CG LEU A 17 -0.953 -9.083 -0.490 1.00 0.00 C ATOM 266 CD1 LEU A 17 -1.816 -10.315 -0.252 1.00 0.00 C ATOM 267 CD2 LEU A 17 -0.807 -8.266 0.782 1.00 0.00 C ATOM 0 H LEU A 17 2.607 -9.229 0.096 1.00 0.00 H new ATOM 0 HA LEU A 17 0.474 -11.032 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.072 -8.604 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.302 -9.730 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.454 -8.461 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.784 -10.010 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.961 -10.845 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.322 -10.973 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.795 -8.000 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.278 -8.853 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.243 -7.358 0.568 1.00 0.00 H new ATOM 279 N TYR A 18 2.509 -11.617 -2.091 1.00 0.00 N ATOM 280 CA TYR A 18 2.838 -12.555 -3.158 1.00 0.00 C ATOM 281 C TYR A 18 3.285 -13.899 -2.590 1.00 0.00 C ATOM 282 O TYR A 18 3.161 -14.929 -3.251 1.00 0.00 O ATOM 283 CB TYR A 18 3.917 -11.976 -4.079 1.00 0.00 C ATOM 284 CG TYR A 18 4.084 -12.753 -5.367 1.00 0.00 C ATOM 285 CD1 TYR A 18 3.071 -12.771 -6.317 1.00 0.00 C ATOM 286 CD2 TYR A 18 5.249 -13.464 -5.636 1.00 0.00 C ATOM 287 CE1 TYR A 18 3.209 -13.473 -7.496 1.00 0.00 C ATOM 288 CE2 TYR A 18 5.395 -14.170 -6.816 1.00 0.00 C ATOM 289 CZ TYR A 18 4.371 -14.172 -7.743 1.00 0.00 C ATOM 290 OH TYR A 18 4.506 -14.868 -8.924 1.00 0.00 O ATOM 0 H TYR A 18 3.191 -10.870 -1.960 1.00 0.00 H new ATOM 0 HA TYR A 18 1.935 -12.719 -3.746 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.666 -10.942 -4.316 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.868 -11.959 -3.547 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.158 -12.225 -6.129 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.051 -13.465 -4.913 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.410 -13.475 -8.223 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.305 -14.717 -7.012 1.00 0.00 H new ATOM 0 HH TYR A 18 5.382 -15.306 -8.947 1.00 0.00 H new ATOM 300 N GLU A 19 3.804 -13.895 -1.365 1.00 0.00 N ATOM 301 CA GLU A 19 4.146 -15.145 -0.687 1.00 0.00 C ATOM 302 C GLU A 19 2.885 -15.954 -0.405 1.00 0.00 C ATOM 303 O GLU A 19 2.900 -17.186 -0.407 1.00 0.00 O ATOM 304 CB GLU A 19 4.892 -14.884 0.623 1.00 0.00 C ATOM 305 CG GLU A 19 6.319 -14.400 0.435 1.00 0.00 C ATOM 306 CD GLU A 19 7.094 -14.382 1.737 1.00 0.00 C ATOM 307 OE1 GLU A 19 7.441 -15.471 2.245 1.00 0.00 O ATOM 308 OE2 GLU A 19 7.359 -13.285 2.263 1.00 0.00 O ATOM 0 H GLU A 19 3.996 -13.051 -0.825 1.00 0.00 H new ATOM 0 HA GLU A 19 4.802 -15.711 -1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.341 -14.143 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.905 -15.802 1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.829 -15.046 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.307 -13.397 0.007 1.00 0.00 H new ATOM 315 N ASN A 20 1.792 -15.243 -0.187 1.00 0.00 N ATOM 316 CA ASN A 20 0.504 -15.855 0.103 1.00 0.00 C ATOM 317 C ASN A 20 -0.287 -16.038 -1.187 1.00 0.00 C ATOM 318 O ASN A 20 -1.512 -15.889 -1.212 1.00 0.00 O ATOM 319 CB ASN A 20 -0.276 -14.977 1.090 1.00 0.00 C ATOM 320 CG ASN A 20 0.304 -15.015 2.493 1.00 0.00 C ATOM 321 OD1 ASN A 20 -0.070 -15.860 3.305 1.00 0.00 O ATOM 322 ND2 ASN A 20 1.214 -14.098 2.798 1.00 0.00 N ATOM 0 H ASN A 20 1.771 -14.223 -0.206 1.00 0.00 H new ATOM 0 HA ASN A 20 0.664 -16.834 0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.279 -13.948 0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.314 -15.307 1.121 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.626 -14.079 3.731 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.501 -13.412 2.100 1.00 0.00 H new ATOM 329 N SER A 21 0.425 -16.398 -2.249 1.00 0.00 N ATOM 330 CA SER A 21 -0.158 -16.503 -3.579 1.00 0.00 C ATOM 331 C SER A 21 -1.195 -17.611 -3.670 1.00 0.00 C ATOM 332 O SER A 21 -2.022 -17.614 -4.585 1.00 0.00 O ATOM 333 CB SER A 21 0.933 -16.756 -4.606 1.00 0.00 C ATOM 334 OG SER A 21 1.680 -17.911 -4.267 1.00 0.00 O ATOM 0 H SER A 21 1.419 -16.624 -2.211 1.00 0.00 H new ATOM 0 HA SER A 21 -0.659 -15.557 -3.783 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.488 -16.881 -5.593 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.595 -15.892 -4.662 1.00 0.00 H new ATOM 0 HG SER A 21 2.377 -18.059 -4.940 1.00 0.00 H new ATOM 340 N ASP A 22 -1.142 -18.551 -2.732 1.00 0.00 N ATOM 341 CA ASP A 22 -2.091 -19.661 -2.703 1.00 0.00 C ATOM 342 C ASP A 22 -3.515 -19.143 -2.795 1.00 0.00 C ATOM 343 O ASP A 22 -4.325 -19.643 -3.574 1.00 0.00 O ATOM 344 CB ASP A 22 -1.922 -20.493 -1.430 1.00 0.00 C ATOM 345 CG ASP A 22 -2.868 -21.681 -1.382 1.00 0.00 C ATOM 346 OD1 ASP A 22 -2.519 -22.743 -1.935 1.00 0.00 O ATOM 347 OD2 ASP A 22 -3.965 -21.558 -0.790 1.00 0.00 O ATOM 0 H ASP A 22 -0.452 -18.567 -1.981 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.887 -20.299 -3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.894 -20.849 -1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.095 -19.859 -0.560 1.00 0.00 H new ATOM 352 N GLY A 23 -3.797 -18.115 -2.020 1.00 0.00 N ATOM 353 CA GLY A 23 -5.104 -17.504 -2.051 1.00 0.00 C ATOM 354 C GLY A 23 -5.057 -16.083 -2.565 1.00 0.00 C ATOM 355 O GLY A 23 -5.988 -15.308 -2.347 1.00 0.00 O ATOM 0 H GLY A 23 -3.141 -17.689 -1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.765 -18.096 -2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.531 -17.512 -1.048 1.00 0.00 H new ATOM 359 N ALA A 24 -3.973 -15.733 -3.250 1.00 0.00 N ATOM 360 CA ALA A 24 -3.806 -14.385 -3.767 1.00 0.00 C ATOM 361 C ALA A 24 -2.941 -14.392 -5.021 1.00 0.00 C ATOM 362 O ALA A 24 -1.714 -14.402 -4.946 1.00 0.00 O ATOM 363 CB ALA A 24 -3.207 -13.480 -2.703 1.00 0.00 C ATOM 0 H ALA A 24 -3.200 -16.365 -3.458 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.787 -13.995 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.088 -12.474 -3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.869 -13.449 -1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.234 -13.867 -2.402 1.00 0.00 H new ATOM 369 N SER A 25 -3.593 -14.412 -6.169 1.00 0.00 N ATOM 370 CA SER A 25 -2.905 -14.481 -7.446 1.00 0.00 C ATOM 371 C SER A 25 -2.291 -13.134 -7.826 1.00 0.00 C ATOM 372 O SER A 25 -2.694 -12.093 -7.312 1.00 0.00 O ATOM 373 CB SER A 25 -3.889 -14.955 -8.509 1.00 0.00 C ATOM 374 OG SER A 25 -5.152 -14.337 -8.336 1.00 0.00 O ATOM 0 H SER A 25 -4.610 -14.381 -6.243 1.00 0.00 H new ATOM 0 HA SER A 25 -2.081 -15.190 -7.369 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.499 -14.725 -9.501 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.998 -16.038 -8.453 1.00 0.00 H new ATOM 0 HG SER A 25 -5.343 -13.761 -9.106 1.00 0.00 H new ATOM 380 N LEU A 26 -1.319 -13.170 -8.737 1.00 0.00 N ATOM 381 CA LEU A 26 -0.590 -11.972 -9.154 1.00 0.00 C ATOM 382 C LEU A 26 -1.559 -10.900 -9.664 1.00 0.00 C ATOM 383 O LEU A 26 -1.484 -9.737 -9.255 1.00 0.00 O ATOM 384 CB LEU A 26 0.429 -12.340 -10.246 1.00 0.00 C ATOM 385 CG LEU A 26 1.649 -11.418 -10.375 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.679 -12.045 -11.300 1.00 0.00 C ATOM 387 CD2 LEU A 26 1.259 -10.044 -10.901 1.00 0.00 C ATOM 0 H LEU A 26 -1.016 -14.024 -9.204 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.058 -11.565 -8.294 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.784 -13.353 -10.056 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.089 -12.359 -11.205 1.00 0.00 H new ATOM 0 HG LEU A 26 2.076 -11.292 -9.380 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.541 -11.384 -11.386 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.997 -13.005 -10.893 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.239 -12.196 -12.285 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.148 -9.418 -10.979 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.801 -10.148 -11.884 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.548 -9.581 -10.217 1.00 0.00 H new ATOM 399 N GLN A 27 -2.472 -11.301 -10.551 1.00 0.00 N ATOM 400 CA GLN A 27 -3.476 -10.388 -11.090 1.00 0.00 C ATOM 401 C GLN A 27 -4.284 -9.786 -9.951 1.00 0.00 C ATOM 402 O GLN A 27 -4.498 -8.578 -9.902 1.00 0.00 O ATOM 403 CB GLN A 27 -4.398 -11.134 -12.072 1.00 0.00 C ATOM 404 CG GLN A 27 -5.184 -10.232 -13.024 1.00 0.00 C ATOM 405 CD GLN A 27 -6.337 -9.497 -12.375 1.00 0.00 C ATOM 406 OE1 GLN A 27 -6.947 -9.973 -11.419 1.00 0.00 O ATOM 407 NE2 GLN A 27 -6.648 -8.324 -12.901 1.00 0.00 N ATOM 0 H GLN A 27 -2.535 -12.254 -10.910 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.977 -9.584 -11.631 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.795 -11.824 -12.662 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.103 -11.737 -11.500 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.502 -9.502 -13.460 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.570 -10.837 -13.844 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.117 -7.964 -13.694 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.419 -7.780 -12.514 1.00 0.00 H new ATOM 416 N GLN A 28 -4.681 -10.637 -9.017 1.00 0.00 N ATOM 417 CA GLN A 28 -5.518 -10.233 -7.897 1.00 0.00 C ATOM 418 C GLN A 28 -4.791 -9.257 -6.969 1.00 0.00 C ATOM 419 O GLN A 28 -5.410 -8.352 -6.411 1.00 0.00 O ATOM 420 CB GLN A 28 -5.982 -11.469 -7.124 1.00 0.00 C ATOM 421 CG GLN A 28 -7.426 -11.858 -7.412 1.00 0.00 C ATOM 422 CD GLN A 28 -7.671 -12.175 -8.876 1.00 0.00 C ATOM 423 OE1 GLN A 28 -6.784 -12.654 -9.580 1.00 0.00 O ATOM 424 NE2 GLN A 28 -8.879 -11.906 -9.342 1.00 0.00 N ATOM 0 H GLN A 28 -4.432 -11.626 -9.014 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.388 -9.711 -8.296 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.332 -12.308 -7.371 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.870 -11.283 -6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.691 -12.726 -6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.084 -11.045 -7.106 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.587 -11.509 -8.725 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.103 -12.096 -10.319 1.00 0.00 H new ATOM 433 N ILE A 29 -3.482 -9.435 -6.806 1.00 0.00 N ATOM 434 CA ILE A 29 -2.687 -8.527 -5.981 1.00 0.00 C ATOM 435 C ILE A 29 -2.699 -7.124 -6.575 1.00 0.00 C ATOM 436 O ILE A 29 -3.014 -6.145 -5.891 1.00 0.00 O ATOM 437 CB ILE A 29 -1.219 -8.996 -5.836 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.148 -10.413 -5.264 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.445 -8.033 -4.943 1.00 0.00 C ATOM 440 CD1 ILE A 29 -1.753 -10.541 -3.885 1.00 0.00 C ATOM 0 H ILE A 29 -2.951 -10.195 -7.231 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.143 -8.523 -4.991 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.767 -9.006 -6.828 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.662 -11.095 -5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.105 -10.728 -5.225 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.586 -8.373 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.459 -7.036 -5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.908 -8.000 -3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.667 -11.573 -3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.225 -9.885 -3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.805 -10.258 -3.921 1.00 0.00 H new ATOM 452 N ALA A 30 -2.377 -7.037 -7.857 1.00 0.00 N ATOM 453 CA ALA A 30 -2.350 -5.758 -8.552 1.00 0.00 C ATOM 454 C ALA A 30 -3.758 -5.190 -8.690 1.00 0.00 C ATOM 455 O ALA A 30 -3.952 -3.977 -8.728 1.00 0.00 O ATOM 456 CB ALA A 30 -1.706 -5.925 -9.918 1.00 0.00 C ATOM 0 H ALA A 30 -2.130 -7.838 -8.438 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.758 -5.054 -7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.689 -4.964 -10.432 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.686 -6.290 -9.797 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.280 -6.641 -10.506 1.00 0.00 H new ATOM 462 N ASN A 31 -4.730 -6.088 -8.748 1.00 0.00 N ATOM 463 CA ASN A 31 -6.133 -5.719 -8.897 1.00 0.00 C ATOM 464 C ASN A 31 -6.646 -5.028 -7.637 1.00 0.00 C ATOM 465 O ASN A 31 -7.336 -4.012 -7.710 1.00 0.00 O ATOM 466 CB ASN A 31 -6.961 -6.979 -9.176 1.00 0.00 C ATOM 467 CG ASN A 31 -8.187 -6.724 -10.024 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.559 -7.728 -10.802 1.00 0.00 O flip ATOM 469 ND2 ASN A 31 -8.791 -5.652 -9.986 1.00 0.00 N flip ATOM 0 H ASN A 31 -4.570 -7.094 -8.693 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.229 -5.024 -9.731 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.331 -7.714 -9.676 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.271 -7.417 -8.227 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.467 -4.906 -9.370 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.615 -5.510 -10.570 1.00 0.00 H new ATOM 476 N ASP A 32 -6.297 -5.591 -6.483 1.00 0.00 N ATOM 477 CA ASP A 32 -6.735 -5.056 -5.194 1.00 0.00 C ATOM 478 C ASP A 32 -6.128 -3.679 -4.940 1.00 0.00 C ATOM 479 O ASP A 32 -6.840 -2.718 -4.634 1.00 0.00 O ATOM 480 CB ASP A 32 -6.336 -6.008 -4.056 1.00 0.00 C ATOM 481 CG ASP A 32 -6.949 -5.618 -2.724 1.00 0.00 C ATOM 482 OD1 ASP A 32 -6.365 -4.773 -2.013 1.00 0.00 O ATOM 483 OD2 ASP A 32 -8.015 -6.171 -2.368 1.00 0.00 O ATOM 0 H ASP A 32 -5.709 -6.422 -6.413 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.821 -4.962 -5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.645 -7.022 -4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.250 -6.020 -3.962 1.00 0.00 H new ATOM 488 N LEU A 33 -4.812 -3.589 -5.089 1.00 0.00 N ATOM 489 CA LEU A 33 -4.088 -2.352 -4.826 1.00 0.00 C ATOM 490 C LEU A 33 -4.335 -1.322 -5.924 1.00 0.00 C ATOM 491 O LEU A 33 -4.313 -0.116 -5.671 1.00 0.00 O ATOM 492 CB LEU A 33 -2.584 -2.627 -4.693 1.00 0.00 C ATOM 493 CG LEU A 33 -2.119 -3.183 -3.339 1.00 0.00 C ATOM 494 CD1 LEU A 33 -2.692 -4.567 -3.077 1.00 0.00 C ATOM 495 CD2 LEU A 33 -0.601 -3.220 -3.280 1.00 0.00 C ATOM 0 H LEU A 33 -4.222 -4.363 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.459 -1.944 -3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.293 -3.332 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.046 -1.699 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.490 -2.518 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.342 -4.929 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.781 -4.515 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.365 -5.251 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.284 -3.616 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.221 -3.859 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.207 -2.211 -3.405 1.00 0.00 H new ATOM 507 N GLY A 34 -4.576 -1.800 -7.135 1.00 0.00 N ATOM 508 CA GLY A 34 -4.800 -0.911 -8.255 1.00 0.00 C ATOM 509 C GLY A 34 -3.501 -0.433 -8.864 1.00 0.00 C ATOM 510 O GLY A 34 -3.325 0.759 -9.119 1.00 0.00 O ATOM 0 H GLY A 34 -4.621 -2.793 -7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.389 -1.425 -9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.384 -0.052 -7.925 1.00 0.00 H new ATOM 514 N ILE A 35 -2.592 -1.364 -9.097 1.00 0.00 N ATOM 515 CA ILE A 35 -1.282 -1.042 -9.642 1.00 0.00 C ATOM 516 C ILE A 35 -0.962 -1.941 -10.827 1.00 0.00 C ATOM 517 O ILE A 35 -1.701 -2.884 -11.114 1.00 0.00 O ATOM 518 CB ILE A 35 -0.171 -1.199 -8.582 1.00 0.00 C ATOM 519 CG1 ILE A 35 -0.211 -2.604 -7.966 1.00 0.00 C ATOM 520 CG2 ILE A 35 -0.301 -0.131 -7.504 1.00 0.00 C ATOM 521 CD1 ILE A 35 0.895 -2.866 -6.964 1.00 0.00 C ATOM 0 H ILE A 35 -2.738 -2.357 -8.916 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.316 -0.001 -9.964 1.00 0.00 H new ATOM 0 HB ILE A 35 0.794 -1.068 -9.072 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.174 -2.748 -7.476 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.147 -3.343 -8.765 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.492 -0.260 -6.767 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.217 0.856 -7.958 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.270 -0.224 -7.014 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.799 -3.879 -6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.863 -2.756 -7.453 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.820 -2.152 -6.144 1.00 0.00 H new ATOM 533 N ASN A 36 0.130 -1.651 -11.519 1.00 0.00 N ATOM 534 CA ASN A 36 0.557 -2.475 -12.631 1.00 0.00 C ATOM 535 C ASN A 36 1.226 -3.739 -12.121 1.00 0.00 C ATOM 536 O ASN A 36 1.941 -3.714 -11.116 1.00 0.00 O ATOM 537 CB ASN A 36 1.527 -1.715 -13.529 1.00 0.00 C ATOM 538 CG ASN A 36 1.752 -2.427 -14.840 1.00 0.00 C ATOM 539 OD1 ASN A 36 2.664 -3.238 -14.977 1.00 0.00 O ATOM 540 ND2 ASN A 36 0.906 -2.140 -15.805 1.00 0.00 N ATOM 0 H ASN A 36 0.733 -0.851 -11.327 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.326 -2.740 -13.212 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.138 -0.715 -13.721 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.480 -1.593 -13.014 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.993 -2.598 -16.712 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.163 -1.459 -15.646 1.00 0.00 H new ATOM 547 N ARG A 37 1.012 -4.835 -12.831 1.00 0.00 N ATOM 548 CA ARG A 37 1.534 -6.120 -12.418 1.00 0.00 C ATOM 549 C ARG A 37 3.054 -6.171 -12.578 1.00 0.00 C ATOM 550 O ARG A 37 3.744 -6.863 -11.831 1.00 0.00 O ATOM 551 CB ARG A 37 0.864 -7.234 -13.223 1.00 0.00 C ATOM 552 CG ARG A 37 1.404 -7.431 -14.629 1.00 0.00 C ATOM 553 CD ARG A 37 0.701 -8.587 -15.315 1.00 0.00 C ATOM 554 NE ARG A 37 1.476 -9.126 -16.427 1.00 0.00 N ATOM 555 CZ ARG A 37 1.196 -10.276 -17.033 1.00 0.00 C ATOM 556 NH1 ARG A 37 0.096 -10.954 -16.718 1.00 0.00 N ATOM 557 NH2 ARG A 37 2.009 -10.728 -17.977 1.00 0.00 N ATOM 0 H ARG A 37 0.477 -4.856 -13.699 1.00 0.00 H new ATOM 0 HA ARG A 37 1.309 -6.265 -11.361 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.971 -8.170 -12.676 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.203 -7.022 -13.287 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.265 -6.518 -15.209 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.476 -7.623 -14.589 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.514 -9.378 -14.589 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.270 -8.253 -15.680 1.00 0.00 H new ATOM 0 HE ARG A 37 2.278 -8.590 -16.759 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.540 -10.593 -16.007 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.112 -11.835 -17.187 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.840 -10.195 -18.232 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.803 -11.609 -18.448 1.00 0.00 H new ATOM 571 N VAL A 38 3.567 -5.424 -13.548 1.00 0.00 N ATOM 572 CA VAL A 38 5.001 -5.349 -13.780 1.00 0.00 C ATOM 573 C VAL A 38 5.663 -4.523 -12.687 1.00 0.00 C ATOM 574 O VAL A 38 6.721 -4.889 -12.180 1.00 0.00 O ATOM 575 CB VAL A 38 5.328 -4.745 -15.164 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.829 -4.697 -15.391 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.645 -5.539 -16.264 1.00 0.00 C ATOM 0 H VAL A 38 3.007 -4.860 -14.188 1.00 0.00 H new ATOM 0 HA VAL A 38 5.392 -6.366 -13.759 1.00 0.00 H new ATOM 0 HB VAL A 38 4.949 -3.723 -15.190 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.035 -4.268 -16.372 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.294 -4.082 -14.621 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.237 -5.707 -15.344 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.886 -5.100 -17.232 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.993 -6.572 -16.237 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.566 -5.516 -16.113 1.00 0.00 H new ATOM 587 N THR A 39 5.022 -3.419 -12.310 1.00 0.00 N ATOM 588 CA THR A 39 5.512 -2.596 -11.212 1.00 0.00 C ATOM 589 C THR A 39 5.581 -3.417 -9.925 1.00 0.00 C ATOM 590 O THR A 39 6.571 -3.367 -9.194 1.00 0.00 O ATOM 591 CB THR A 39 4.608 -1.367 -10.997 1.00 0.00 C ATOM 592 OG1 THR A 39 4.485 -0.639 -12.226 1.00 0.00 O ATOM 593 CG2 THR A 39 5.167 -0.449 -9.919 1.00 0.00 C ATOM 0 H THR A 39 4.167 -3.077 -12.747 1.00 0.00 H new ATOM 0 HA THR A 39 6.512 -2.249 -11.472 1.00 0.00 H new ATOM 0 HB THR A 39 3.629 -1.720 -10.672 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.908 0.141 -12.088 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.506 0.408 -9.792 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.239 -0.994 -8.978 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.157 -0.102 -10.214 1.00 0.00 H new ATOM 601 N LEU A 40 4.528 -4.190 -9.676 1.00 0.00 N ATOM 602 CA LEU A 40 4.490 -5.110 -8.545 1.00 0.00 C ATOM 603 C LEU A 40 5.647 -6.103 -8.627 1.00 0.00 C ATOM 604 O LEU A 40 6.381 -6.302 -7.658 1.00 0.00 O ATOM 605 CB LEU A 40 3.155 -5.860 -8.538 1.00 0.00 C ATOM 606 CG LEU A 40 2.998 -6.918 -7.446 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.953 -6.269 -6.070 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.747 -7.750 -7.690 1.00 0.00 C ATOM 0 H LEU A 40 3.683 -4.197 -10.248 1.00 0.00 H new ATOM 0 HA LEU A 40 4.589 -4.540 -7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.350 -5.132 -8.432 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.024 -6.342 -9.507 1.00 0.00 H new ATOM 0 HG LEU A 40 3.864 -7.579 -7.480 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.841 -7.040 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.878 -5.719 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.108 -5.583 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.649 -8.499 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.871 -7.101 -7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.823 -8.247 -8.657 1.00 0.00 H new ATOM 620 N LYS A 41 5.802 -6.707 -9.802 1.00 0.00 N ATOM 621 CA LYS A 41 6.869 -7.671 -10.062 1.00 0.00 C ATOM 622 C LYS A 41 8.236 -7.070 -9.763 1.00 0.00 C ATOM 623 O LYS A 41 9.095 -7.711 -9.153 1.00 0.00 O ATOM 624 CB LYS A 41 6.815 -8.107 -11.527 1.00 0.00 C ATOM 625 CG LYS A 41 7.780 -9.226 -11.883 1.00 0.00 C ATOM 626 CD LYS A 41 7.649 -9.620 -13.349 1.00 0.00 C ATOM 627 CE LYS A 41 8.684 -10.662 -13.748 1.00 0.00 C ATOM 628 NZ LYS A 41 10.068 -10.118 -13.716 1.00 0.00 N ATOM 0 H LYS A 41 5.191 -6.542 -10.602 1.00 0.00 H new ATOM 0 HA LYS A 41 6.721 -8.531 -9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.801 -8.430 -11.761 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.028 -7.245 -12.159 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.802 -8.907 -11.679 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.585 -10.093 -11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.649 -10.012 -13.532 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.764 -8.735 -13.975 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.615 -11.517 -13.075 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.462 -11.027 -14.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.695 -10.793 -13.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.405 -9.968 -14.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.073 -9.213 -13.204 1.00 0.00 H new ATOM 642 N ASN A 42 8.421 -5.834 -10.201 1.00 0.00 N ATOM 643 CA ASN A 42 9.666 -5.106 -9.977 1.00 0.00 C ATOM 644 C ASN A 42 9.989 -5.000 -8.492 1.00 0.00 C ATOM 645 O ASN A 42 11.152 -5.096 -8.096 1.00 0.00 O ATOM 646 CB ASN A 42 9.593 -3.700 -10.578 1.00 0.00 C ATOM 647 CG ASN A 42 9.594 -3.692 -12.096 1.00 0.00 C ATOM 648 OD1 ASN A 42 10.112 -4.606 -12.740 1.00 0.00 O ATOM 649 ND2 ASN A 42 9.042 -2.641 -12.676 1.00 0.00 N ATOM 0 H ASN A 42 7.718 -5.307 -10.719 1.00 0.00 H new ATOM 0 HA ASN A 42 10.458 -5.669 -10.470 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.689 -3.207 -10.220 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.439 -3.115 -10.218 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.034 -2.565 -13.693 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.623 -1.905 -12.107 1.00 0.00 H new ATOM 656 N TRP A 43 8.962 -4.795 -7.676 1.00 0.00 N ATOM 657 CA TRP A 43 9.145 -4.700 -6.231 1.00 0.00 C ATOM 658 C TRP A 43 9.471 -6.070 -5.654 1.00 0.00 C ATOM 659 O TRP A 43 10.364 -6.204 -4.816 1.00 0.00 O ATOM 660 CB TRP A 43 7.887 -4.155 -5.543 1.00 0.00 C ATOM 661 CG TRP A 43 7.449 -2.797 -6.006 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.170 -1.880 -6.721 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.174 -2.196 -5.759 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.414 -0.750 -6.935 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.183 -0.925 -6.358 1.00 0.00 C ATOM 666 CE3 TRP A 43 5.020 -2.622 -5.094 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.085 -0.070 -6.303 1.00 0.00 C ATOM 668 CZ3 TRP A 43 3.933 -1.773 -5.043 1.00 0.00 C ATOM 669 CH2 TRP A 43 3.971 -0.512 -5.648 1.00 0.00 C ATOM 0 H TRP A 43 7.996 -4.692 -7.988 1.00 0.00 H new ATOM 0 HA TRP A 43 9.970 -4.012 -6.048 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.070 -4.858 -5.704 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.067 -4.115 -4.469 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.183 -2.022 -7.067 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.720 0.082 -7.440 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.980 -3.596 -4.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.113 0.907 -6.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.038 -2.087 -4.527 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.101 0.126 -5.596 1.00 0.00 H new ATOM 680 N ILE A 44 8.742 -7.080 -6.121 1.00 0.00 N ATOM 681 CA ILE A 44 8.906 -8.452 -5.648 1.00 0.00 C ATOM 682 C ILE A 44 10.354 -8.916 -5.787 1.00 0.00 C ATOM 683 O ILE A 44 10.911 -9.518 -4.875 1.00 0.00 O ATOM 684 CB ILE A 44 7.978 -9.429 -6.416 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.514 -9.027 -6.225 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.199 -10.865 -5.957 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.548 -9.846 -7.048 1.00 0.00 C ATOM 0 H ILE A 44 8.023 -6.971 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 44 8.631 -8.458 -4.593 1.00 0.00 H new ATOM 0 HB ILE A 44 8.224 -9.372 -7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.254 -9.125 -5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.398 -7.975 -6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.536 -11.530 -6.511 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.235 -11.150 -6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.984 -10.944 -4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.530 -9.504 -6.861 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.781 -9.729 -8.106 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.635 -10.897 -6.772 1.00 0.00 H new ATOM 699 N ILE A 45 10.965 -8.621 -6.928 1.00 0.00 N ATOM 700 CA ILE A 45 12.348 -9.015 -7.169 1.00 0.00 C ATOM 701 C ILE A 45 13.303 -8.256 -6.246 1.00 0.00 C ATOM 702 O ILE A 45 14.197 -8.846 -5.637 1.00 0.00 O ATOM 703 CB ILE A 45 12.750 -8.767 -8.642 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.837 -9.563 -9.576 1.00 0.00 C ATOM 705 CG2 ILE A 45 14.207 -9.148 -8.872 1.00 0.00 C ATOM 706 CD1 ILE A 45 12.124 -9.335 -11.044 1.00 0.00 C ATOM 0 H ILE A 45 10.528 -8.113 -7.697 1.00 0.00 H new ATOM 0 HA ILE A 45 12.422 -10.082 -6.958 1.00 0.00 H new ATOM 0 HB ILE A 45 12.636 -7.705 -8.859 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.942 -10.625 -9.355 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.800 -9.296 -9.371 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.470 -8.966 -9.914 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.847 -8.547 -8.226 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.348 -10.204 -8.641 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.438 -9.932 -11.646 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.991 -8.280 -11.281 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.150 -9.629 -11.264 1.00 0.00 H new ATOM 718 N LYS A 46 13.091 -6.950 -6.130 1.00 0.00 N ATOM 719 CA LYS A 46 13.981 -6.089 -5.374 1.00 0.00 C ATOM 720 C LYS A 46 13.901 -6.362 -3.874 1.00 0.00 C ATOM 721 O LYS A 46 14.924 -6.572 -3.221 1.00 0.00 O ATOM 722 CB LYS A 46 13.653 -4.628 -5.676 1.00 0.00 C ATOM 723 CG LYS A 46 13.962 -4.231 -7.112 1.00 0.00 C ATOM 724 CD LYS A 46 13.726 -2.749 -7.352 1.00 0.00 C ATOM 725 CE LYS A 46 14.014 -2.367 -8.797 1.00 0.00 C ATOM 726 NZ LYS A 46 13.012 -2.948 -9.733 1.00 0.00 N ATOM 0 H LYS A 46 12.301 -6.464 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 46 15.005 -6.303 -5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.596 -4.450 -5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.218 -3.988 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.999 -4.476 -7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.339 -4.813 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.694 -2.499 -7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.362 -2.165 -6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.014 -1.281 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.011 -2.711 -9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.497 -3.540 -10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.334 -3.529 -9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.504 -2.181 -10.218 1.00 0.00 H new ATOM 740 N TYR A 47 12.692 -6.372 -3.332 1.00 0.00 N ATOM 741 CA TYR A 47 12.505 -6.553 -1.898 1.00 0.00 C ATOM 742 C TYR A 47 12.522 -8.026 -1.517 1.00 0.00 C ATOM 743 O TYR A 47 12.784 -8.372 -0.366 1.00 0.00 O ATOM 744 CB TYR A 47 11.203 -5.894 -1.446 1.00 0.00 C ATOM 745 CG TYR A 47 11.256 -4.384 -1.496 1.00 0.00 C ATOM 746 CD1 TYR A 47 11.049 -3.704 -2.688 1.00 0.00 C ATOM 747 CD2 TYR A 47 11.533 -3.642 -0.354 1.00 0.00 C ATOM 748 CE1 TYR A 47 11.114 -2.328 -2.742 1.00 0.00 C ATOM 749 CE2 TYR A 47 11.594 -2.263 -0.399 1.00 0.00 C ATOM 750 CZ TYR A 47 11.389 -1.610 -1.596 1.00 0.00 C ATOM 751 OH TYR A 47 11.462 -0.238 -1.652 1.00 0.00 O ATOM 0 H TYR A 47 11.827 -6.257 -3.861 1.00 0.00 H new ATOM 0 HA TYR A 47 13.338 -6.071 -1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.387 -6.244 -2.078 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.977 -6.210 -0.428 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.834 -4.262 -3.587 1.00 0.00 H new ATOM 0 HD2 TYR A 47 11.703 -4.152 0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.950 -1.814 -3.678 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.801 -1.699 0.499 1.00 0.00 H new ATOM 0 HH TYR A 47 11.773 0.037 -2.540 1.00 0.00 H new ATOM 761 N GLY A 48 12.245 -8.889 -2.488 1.00 0.00 N ATOM 762 CA GLY A 48 12.326 -10.319 -2.254 1.00 0.00 C ATOM 763 C GLY A 48 13.756 -10.757 -2.040 1.00 0.00 C ATOM 764 O GLY A 48 14.023 -11.712 -1.309 1.00 0.00 O ATOM 0 H GLY A 48 11.966 -8.624 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.728 -10.582 -1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.902 -10.854 -3.104 1.00 0.00 H new ATOM 928 N ALA A 61 32.045 -8.744 -17.594 1.00 0.00 N ATOM 929 CA ALA A 61 32.537 -8.315 -18.898 1.00 0.00 C ATOM 930 C ALA A 61 34.051 -8.491 -19.035 1.00 0.00 C ATOM 931 O ALA A 61 34.628 -8.161 -20.068 1.00 0.00 O ATOM 932 CB ALA A 61 32.139 -6.869 -19.153 1.00 0.00 C ATOM 0 HA ALA A 61 32.076 -8.955 -19.651 1.00 0.00 H new ATOM 0 HB1 ALA A 61 32.510 -6.556 -20.129 1.00 0.00 H new ATOM 0 HB2 ALA A 61 31.053 -6.782 -19.133 1.00 0.00 H new ATOM 0 HB3 ALA A 61 32.569 -6.232 -18.380 1.00 0.00 H new ATOM 938 N VAL A 62 34.685 -9.023 -17.999 1.00 0.00 N ATOM 939 CA VAL A 62 36.123 -9.263 -18.027 1.00 0.00 C ATOM 940 C VAL A 62 36.466 -10.361 -19.033 1.00 0.00 C ATOM 941 O VAL A 62 37.516 -10.330 -19.677 1.00 0.00 O ATOM 942 CB VAL A 62 36.663 -9.637 -16.625 1.00 0.00 C ATOM 943 CG1 VAL A 62 38.150 -9.938 -16.685 1.00 0.00 C ATOM 944 CG2 VAL A 62 36.388 -8.512 -15.634 1.00 0.00 C ATOM 0 H VAL A 62 34.228 -9.297 -17.129 1.00 0.00 H new ATOM 0 HA VAL A 62 36.604 -8.336 -18.338 1.00 0.00 H new ATOM 0 HB VAL A 62 36.146 -10.535 -16.286 1.00 0.00 H new ATOM 0 HG11 VAL A 62 38.509 -10.198 -15.689 1.00 0.00 H new ATOM 0 HG12 VAL A 62 38.325 -10.773 -17.364 1.00 0.00 H new ATOM 0 HG13 VAL A 62 38.685 -9.059 -17.045 1.00 0.00 H new ATOM 0 HG21 VAL A 62 36.773 -8.789 -14.653 1.00 0.00 H new ATOM 0 HG22 VAL A 62 36.880 -7.600 -15.973 1.00 0.00 H new ATOM 0 HG23 VAL A 62 35.314 -8.341 -15.567 1.00 0.00 H new ATOM 954 N SER A 63 35.546 -11.301 -19.199 1.00 0.00 N ATOM 955 CA SER A 63 35.739 -12.410 -20.124 1.00 0.00 C ATOM 956 C SER A 63 35.855 -11.905 -21.563 1.00 0.00 C ATOM 957 O SER A 63 36.676 -12.399 -22.337 1.00 0.00 O ATOM 958 CB SER A 63 34.583 -13.399 -20.000 1.00 0.00 C ATOM 959 OG SER A 63 34.463 -13.870 -18.666 1.00 0.00 O ATOM 0 H SER A 63 34.655 -11.318 -18.703 1.00 0.00 H new ATOM 0 HA SER A 63 36.669 -12.917 -19.867 1.00 0.00 H new ATOM 0 HB2 SER A 63 33.653 -12.919 -20.306 1.00 0.00 H new ATOM 0 HB3 SER A 63 34.744 -14.240 -20.674 1.00 0.00 H new ATOM 0 HG SER A 63 33.715 -14.501 -18.608 1.00 0.00 H new ATOM 965 N GLU A 64 35.037 -10.918 -21.913 1.00 0.00 N ATOM 966 CA GLU A 64 35.090 -10.322 -23.239 1.00 0.00 C ATOM 967 C GLU A 64 36.259 -9.354 -23.338 1.00 0.00 C ATOM 968 O GLU A 64 36.917 -9.254 -24.373 1.00 0.00 O ATOM 969 CB GLU A 64 33.781 -9.601 -23.566 1.00 0.00 C ATOM 970 CG GLU A 64 33.694 -9.125 -25.008 1.00 0.00 C ATOM 971 CD GLU A 64 33.765 -10.268 -26.001 1.00 0.00 C ATOM 972 OE1 GLU A 64 34.880 -10.646 -26.412 1.00 0.00 O ATOM 973 OE2 GLU A 64 32.698 -10.799 -26.380 1.00 0.00 O ATOM 0 H GLU A 64 34.331 -10.516 -21.296 1.00 0.00 H new ATOM 0 HA GLU A 64 35.232 -11.123 -23.965 1.00 0.00 H new ATOM 0 HB2 GLU A 64 32.946 -10.271 -23.362 1.00 0.00 H new ATOM 0 HB3 GLU A 64 33.672 -8.744 -22.902 1.00 0.00 H new ATOM 0 HG2 GLU A 64 32.761 -8.580 -25.152 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.506 -8.425 -25.206 1.00 0.00 H new ATOM 980 N ALA A 65 36.529 -8.668 -22.237 1.00 0.00 N ATOM 981 CA ALA A 65 37.620 -7.703 -22.173 1.00 0.00 C ATOM 982 C ALA A 65 38.965 -8.373 -22.431 1.00 0.00 C ATOM 983 O ALA A 65 39.917 -7.725 -22.869 1.00 0.00 O ATOM 984 CB ALA A 65 37.631 -6.999 -20.824 1.00 0.00 C ATOM 0 H ALA A 65 36.003 -8.762 -21.368 1.00 0.00 H new ATOM 0 HA ALA A 65 37.456 -6.961 -22.955 1.00 0.00 H new ATOM 0 HB1 ALA A 65 38.452 -6.282 -20.794 1.00 0.00 H new ATOM 0 HB2 ALA A 65 36.686 -6.475 -20.679 1.00 0.00 H new ATOM 0 HB3 ALA A 65 37.763 -7.735 -20.031 1.00 0.00 H new ATOM 990 N GLU A 66 39.032 -9.673 -22.163 1.00 0.00 N ATOM 991 CA GLU A 66 40.236 -10.448 -22.412 1.00 0.00 C ATOM 992 C GLU A 66 40.556 -10.477 -23.904 1.00 0.00 C ATOM 993 O GLU A 66 41.720 -10.481 -24.302 1.00 0.00 O ATOM 994 CB GLU A 66 40.067 -11.869 -21.876 1.00 0.00 C ATOM 995 CG GLU A 66 41.352 -12.684 -21.878 1.00 0.00 C ATOM 996 CD GLU A 66 41.246 -13.938 -21.036 1.00 0.00 C ATOM 997 OE1 GLU A 66 40.659 -14.934 -21.510 1.00 0.00 O ATOM 998 OE2 GLU A 66 41.740 -13.928 -19.890 1.00 0.00 O ATOM 0 H GLU A 66 38.260 -10.212 -21.771 1.00 0.00 H new ATOM 0 HA GLU A 66 41.068 -9.974 -21.892 1.00 0.00 H new ATOM 0 HB2 GLU A 66 39.681 -11.820 -20.858 1.00 0.00 H new ATOM 0 HB3 GLU A 66 39.319 -12.387 -22.476 1.00 0.00 H new ATOM 0 HG2 GLU A 66 41.602 -12.959 -22.903 1.00 0.00 H new ATOM 0 HG3 GLU A 66 42.170 -12.068 -21.504 1.00 0.00 H new ATOM 1005 N GLN A 67 39.519 -10.514 -24.727 1.00 0.00 N ATOM 1006 CA GLN A 67 39.703 -10.393 -26.173 1.00 0.00 C ATOM 1007 C GLN A 67 39.889 -8.931 -26.561 1.00 0.00 C ATOM 1008 O GLN A 67 40.738 -8.604 -27.389 1.00 0.00 O ATOM 1009 CB GLN A 67 38.525 -10.997 -26.952 1.00 0.00 C ATOM 1010 CG GLN A 67 38.445 -12.517 -26.871 1.00 0.00 C ATOM 1011 CD GLN A 67 37.804 -13.007 -25.589 1.00 0.00 C ATOM 1012 OE1 GLN A 67 36.798 -12.293 -25.116 1.00 0.00 O flip ATOM 1013 NE2 GLN A 67 38.178 -14.051 -25.050 1.00 0.00 N flip ATOM 0 H GLN A 67 38.550 -10.625 -24.427 1.00 0.00 H new ATOM 0 HA GLN A 67 40.599 -10.955 -26.437 1.00 0.00 H new ATOM 0 HB2 GLN A 67 37.595 -10.573 -26.572 1.00 0.00 H new ATOM 0 HB3 GLN A 67 38.605 -10.702 -27.998 1.00 0.00 H new ATOM 0 HG2 GLN A 67 37.876 -12.891 -27.722 1.00 0.00 H new ATOM 0 HG3 GLN A 67 39.449 -12.933 -26.951 1.00 0.00 H new ATOM 0 HE21 GLN A 67 38.959 -14.577 -25.443 1.00 0.00 H new ATOM 0 HE22 GLN A 67 37.707 -14.389 -24.211 1.00 0.00 H new ATOM 1022 N ILE A 68 39.101 -8.062 -25.938 1.00 0.00 N ATOM 1023 CA ILE A 68 39.115 -6.632 -26.238 1.00 0.00 C ATOM 1024 C ILE A 68 40.507 -6.022 -26.059 1.00 0.00 C ATOM 1025 O ILE A 68 40.959 -5.253 -26.903 1.00 0.00 O ATOM 1026 CB ILE A 68 38.094 -5.863 -25.368 1.00 0.00 C ATOM 1027 CG1 ILE A 68 36.670 -6.356 -25.661 1.00 0.00 C ATOM 1028 CG2 ILE A 68 38.197 -4.360 -25.611 1.00 0.00 C ATOM 1029 CD1 ILE A 68 35.609 -5.696 -24.806 1.00 0.00 C ATOM 0 H ILE A 68 38.435 -8.327 -25.212 1.00 0.00 H new ATOM 0 HA ILE A 68 38.831 -6.534 -27.286 1.00 0.00 H new ATOM 0 HB ILE A 68 38.323 -6.054 -24.320 1.00 0.00 H new ATOM 0 HG12 ILE A 68 36.442 -6.176 -26.711 1.00 0.00 H new ATOM 0 HG13 ILE A 68 36.629 -7.434 -25.507 1.00 0.00 H new ATOM 0 HG21 ILE A 68 37.469 -3.840 -24.988 1.00 0.00 H new ATOM 0 HG22 ILE A 68 39.201 -4.019 -25.358 1.00 0.00 H new ATOM 0 HG23 ILE A 68 37.995 -4.146 -26.661 1.00 0.00 H new ATOM 0 HD11 ILE A 68 34.629 -6.095 -25.070 1.00 0.00 H new ATOM 0 HD12 ILE A 68 35.812 -5.898 -23.754 1.00 0.00 H new ATOM 0 HD13 ILE A 68 35.621 -4.620 -24.978 1.00 0.00 H new ATOM 1041 N ARG A 69 41.187 -6.382 -24.975 1.00 0.00 N ATOM 1042 CA ARG A 69 42.521 -5.846 -24.696 1.00 0.00 C ATOM 1043 C ARG A 69 43.494 -6.136 -25.840 1.00 0.00 C ATOM 1044 O ARG A 69 44.244 -5.258 -26.261 1.00 0.00 O ATOM 1045 CB ARG A 69 43.077 -6.404 -23.373 1.00 0.00 C ATOM 1046 CG ARG A 69 43.042 -7.922 -23.280 1.00 0.00 C ATOM 1047 CD ARG A 69 43.591 -8.435 -21.955 1.00 0.00 C ATOM 1048 NE ARG A 69 45.056 -8.443 -21.918 1.00 0.00 N ATOM 1049 CZ ARG A 69 45.785 -9.472 -21.469 1.00 0.00 C ATOM 1050 NH1 ARG A 69 45.183 -10.564 -21.008 1.00 0.00 N ATOM 1051 NH2 ARG A 69 47.113 -9.407 -21.476 1.00 0.00 N ATOM 0 H ARG A 69 40.841 -7.040 -24.276 1.00 0.00 H new ATOM 0 HA ARG A 69 42.419 -4.765 -24.603 1.00 0.00 H new ATOM 0 HB2 ARG A 69 44.106 -6.066 -23.252 1.00 0.00 H new ATOM 0 HB3 ARG A 69 42.505 -5.986 -22.545 1.00 0.00 H new ATOM 0 HG2 ARG A 69 42.015 -8.267 -23.403 1.00 0.00 H new ATOM 0 HG3 ARG A 69 43.622 -8.347 -24.099 1.00 0.00 H new ATOM 0 HD2 ARG A 69 43.214 -7.812 -21.144 1.00 0.00 H new ATOM 0 HD3 ARG A 69 43.221 -9.445 -21.779 1.00 0.00 H new ATOM 0 HE ARG A 69 45.549 -7.616 -22.254 1.00 0.00 H new ATOM 0 HH11 ARG A 69 44.165 -10.618 -20.996 1.00 0.00 H new ATOM 0 HH12 ARG A 69 45.740 -11.347 -20.666 1.00 0.00 H new ATOM 0 HH21 ARG A 69 47.581 -8.570 -21.825 1.00 0.00 H new ATOM 0 HH22 ARG A 69 47.664 -10.194 -21.133 1.00 0.00 H new ATOM 1065 N GLN A 70 43.463 -7.358 -26.349 1.00 0.00 N ATOM 1066 CA GLN A 70 44.377 -7.779 -27.394 1.00 0.00 C ATOM 1067 C GLN A 70 43.913 -7.289 -28.767 1.00 0.00 C ATOM 1068 O GLN A 70 44.714 -7.117 -29.683 1.00 0.00 O ATOM 1069 CB GLN A 70 44.462 -9.300 -27.378 1.00 0.00 C ATOM 1070 CG GLN A 70 45.877 -9.846 -27.293 1.00 0.00 C ATOM 1071 CD GLN A 70 46.718 -9.515 -28.507 1.00 0.00 C ATOM 1072 OE1 GLN A 70 47.415 -8.499 -28.546 1.00 0.00 O ATOM 1073 NE2 GLN A 70 46.657 -10.373 -29.509 1.00 0.00 N ATOM 0 H GLN A 70 42.807 -8.080 -26.050 1.00 0.00 H new ATOM 0 HA GLN A 70 45.359 -7.345 -27.207 1.00 0.00 H new ATOM 0 HB2 GLN A 70 43.889 -9.675 -26.530 1.00 0.00 H new ATOM 0 HB3 GLN A 70 43.989 -9.688 -28.280 1.00 0.00 H new ATOM 0 HG2 GLN A 70 46.362 -9.444 -26.403 1.00 0.00 H new ATOM 0 HG3 GLN A 70 45.835 -10.928 -27.172 1.00 0.00 H new ATOM 0 HE21 GLN A 70 46.067 -11.202 -29.435 1.00 0.00 H new ATOM 0 HE22 GLN A 70 47.200 -10.207 -30.356 1.00 0.00 H new ATOM 1082 N LEU A 71 42.610 -7.087 -28.901 1.00 0.00 N ATOM 1083 CA LEU A 71 42.021 -6.670 -30.166 1.00 0.00 C ATOM 1084 C LEU A 71 42.153 -5.163 -30.378 1.00 0.00 C ATOM 1085 O LEU A 71 42.530 -4.711 -31.457 1.00 0.00 O ATOM 1086 CB LEU A 71 40.545 -7.079 -30.224 1.00 0.00 C ATOM 1087 CG LEU A 71 39.826 -6.748 -31.535 1.00 0.00 C ATOM 1088 CD1 LEU A 71 40.453 -7.504 -32.698 1.00 0.00 C ATOM 1089 CD2 LEU A 71 38.343 -7.066 -31.424 1.00 0.00 C ATOM 0 H LEU A 71 41.937 -7.206 -28.144 1.00 0.00 H new ATOM 0 HA LEU A 71 42.567 -7.171 -30.966 1.00 0.00 H new ATOM 0 HB2 LEU A 71 40.475 -8.153 -30.052 1.00 0.00 H new ATOM 0 HB3 LEU A 71 40.017 -6.590 -29.405 1.00 0.00 H new ATOM 0 HG LEU A 71 39.935 -5.680 -31.726 1.00 0.00 H new ATOM 0 HD11 LEU A 71 39.927 -7.255 -33.620 1.00 0.00 H new ATOM 0 HD12 LEU A 71 41.502 -7.223 -32.791 1.00 0.00 H new ATOM 0 HD13 LEU A 71 40.379 -8.576 -32.517 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.848 -6.825 -32.365 1.00 0.00 H new ATOM 0 HD22 LEU A 71 38.213 -8.126 -31.207 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.903 -6.475 -30.620 1.00 0.00 H new ATOM 1101 N LYS A 72 41.838 -4.391 -29.346 1.00 0.00 N ATOM 1102 CA LYS A 72 41.834 -2.937 -29.457 1.00 0.00 C ATOM 1103 C LYS A 72 43.251 -2.385 -29.505 1.00 0.00 C ATOM 1104 O LYS A 72 43.548 -1.480 -30.284 1.00 0.00 O ATOM 1105 CB LYS A 72 41.064 -2.306 -28.296 1.00 0.00 C ATOM 1106 CG LYS A 72 41.005 -0.793 -28.374 1.00 0.00 C ATOM 1107 CD LYS A 72 40.131 -0.202 -27.284 1.00 0.00 C ATOM 1108 CE LYS A 72 40.018 1.306 -27.431 1.00 0.00 C ATOM 1109 NZ LYS A 72 39.533 1.697 -28.783 1.00 0.00 N ATOM 0 H LYS A 72 41.582 -4.746 -28.424 1.00 0.00 H new ATOM 0 HA LYS A 72 41.334 -2.679 -30.391 1.00 0.00 H new ATOM 0 HB2 LYS A 72 40.049 -2.703 -28.283 1.00 0.00 H new ATOM 0 HB3 LYS A 72 41.533 -2.597 -27.356 1.00 0.00 H new ATOM 0 HG2 LYS A 72 42.013 -0.386 -28.291 1.00 0.00 H new ATOM 0 HG3 LYS A 72 40.620 -0.495 -29.349 1.00 0.00 H new ATOM 0 HD2 LYS A 72 39.138 -0.650 -27.327 1.00 0.00 H new ATOM 0 HD3 LYS A 72 40.549 -0.445 -26.307 1.00 0.00 H new ATOM 0 HE2 LYS A 72 39.336 1.694 -26.674 1.00 0.00 H new ATOM 0 HE3 LYS A 72 40.991 1.763 -27.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 39.181 2.675 -28.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 40.315 1.629 -29.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 38.764 1.060 -29.073 1.00 0.00 H new