USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 390 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 50 THR OG1 : rot -49:sc= 0.926 USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.892 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 101:sc= 0.0592 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -154:sc= -0.0816 (180deg=-0.681) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0304) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 39 HIS : no HD1:sc= -3.63 K(o=-3.6,f=-10!) USER MOD Single : A 41 SER OG : rot -92:sc= -3.73! USER MOD Single : A 42 GLN : amide:sc= -0.388 K(o=-0.39,f=-1.2) USER MOD Single : A 52 ASN : amide:sc= -9.32! C(o=-9.3!,f=-9.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.442 K(o=0.44,f=-2.9!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N ARG A 11 -0.734 -12.091 6.379 1.00 0.00 N ATOM 115 CA ARG A 11 -0.510 -12.011 4.945 1.00 0.00 C ATOM 116 C ARG A 11 0.255 -10.733 4.598 1.00 0.00 C ATOM 117 O ARG A 11 0.353 -9.821 5.418 1.00 0.00 O ATOM 118 CB ARG A 11 -1.834 -12.030 4.179 1.00 0.00 C ATOM 119 CG ARG A 11 -2.063 -13.387 3.512 1.00 0.00 C ATOM 120 CD ARG A 11 -3.392 -14.001 3.957 1.00 0.00 C ATOM 121 NE ARG A 11 -3.297 -15.477 3.948 1.00 0.00 N ATOM 122 CZ ARG A 11 -3.361 -16.227 2.839 1.00 0.00 C ATOM 123 NH1 ARG A 11 -3.522 -15.644 1.644 1.00 0.00 N ATOM 124 NH2 ARG A 11 -3.266 -17.561 2.926 1.00 0.00 N ATOM 0 HA ARG A 11 0.078 -12.881 4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.656 -11.813 4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.832 -11.245 3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.058 -13.269 2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.245 -14.062 3.763 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.647 -13.651 4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.193 -13.676 3.292 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.175 -15.954 4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.596 -14.629 1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.571 -16.215 0.800 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.145 -18.005 3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.315 -18.132 2.082 1.00 0.00 H new ATOM 138 N LYS A 12 0.777 -10.706 3.380 1.00 0.00 N ATOM 139 CA LYS A 12 1.530 -9.554 2.914 1.00 0.00 C ATOM 140 C LYS A 12 1.004 -9.128 1.542 1.00 0.00 C ATOM 141 O LYS A 12 0.477 -9.949 0.793 1.00 0.00 O ATOM 142 CB LYS A 12 3.031 -9.852 2.932 1.00 0.00 C ATOM 143 CG LYS A 12 3.564 -9.896 4.366 1.00 0.00 C ATOM 144 CD LYS A 12 4.830 -10.750 4.454 1.00 0.00 C ATOM 145 CE LYS A 12 4.591 -12.146 3.874 1.00 0.00 C ATOM 146 NZ LYS A 12 5.443 -13.144 4.558 1.00 0.00 N ATOM 0 H LYS A 12 0.693 -11.463 2.702 1.00 0.00 H new ATOM 0 HA LYS A 12 1.388 -8.708 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.222 -10.806 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.564 -9.088 2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.779 -8.884 4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.800 -10.302 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.641 -10.262 3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.145 -10.833 5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.541 -12.418 3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.808 -12.145 2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.268 -14.086 4.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.444 -12.892 4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.216 -13.157 5.573 1.00 0.00 H new ATOM 160 N ALA A 13 1.166 -7.845 1.254 1.00 0.00 N ATOM 161 CA ALA A 13 0.715 -7.300 -0.015 1.00 0.00 C ATOM 162 C ALA A 13 1.840 -6.473 -0.640 1.00 0.00 C ATOM 163 O ALA A 13 2.687 -5.934 0.071 1.00 0.00 O ATOM 164 CB ALA A 13 -0.558 -6.481 0.205 1.00 0.00 C ATOM 0 H ALA A 13 1.603 -7.167 1.878 1.00 0.00 H new ATOM 0 HA ALA A 13 0.471 -8.102 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.897 -6.072 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.335 -7.122 0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.351 -5.665 0.897 1.00 0.00 H new ATOM 170 N LYS A 14 1.812 -6.398 -1.962 1.00 0.00 N ATOM 171 CA LYS A 14 2.820 -5.645 -2.690 1.00 0.00 C ATOM 172 C LYS A 14 2.142 -4.519 -3.474 1.00 0.00 C ATOM 173 O LYS A 14 1.143 -4.746 -4.154 1.00 0.00 O ATOM 174 CB LYS A 14 3.662 -6.580 -3.561 1.00 0.00 C ATOM 175 CG LYS A 14 4.451 -5.791 -4.607 1.00 0.00 C ATOM 176 CD LYS A 14 3.990 -6.143 -6.023 1.00 0.00 C ATOM 177 CE LYS A 14 4.708 -7.391 -6.540 1.00 0.00 C ATOM 178 NZ LYS A 14 6.156 -7.127 -6.698 1.00 0.00 N ATOM 0 H LYS A 14 1.108 -6.846 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 14 3.519 -5.176 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.349 -7.147 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.014 -7.302 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.323 -4.722 -4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.515 -6.005 -4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.913 -6.311 -6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.184 -5.304 -6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.557 -8.218 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.281 -7.694 -7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.548 -7.762 -7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.299 -6.139 -6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.640 -7.294 -5.793 1.00 0.00 H new ATOM 192 N ALA A 15 2.712 -3.330 -3.351 1.00 0.00 N ATOM 193 CA ALA A 15 2.175 -2.168 -4.040 1.00 0.00 C ATOM 194 C ALA A 15 2.367 -2.340 -5.548 1.00 0.00 C ATOM 195 O ALA A 15 3.443 -2.730 -6.000 1.00 0.00 O ATOM 196 CB ALA A 15 2.849 -0.902 -3.507 1.00 0.00 C ATOM 0 H ALA A 15 3.540 -3.145 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 15 1.105 -2.072 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.447 -0.031 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.658 -0.811 -2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.924 -0.962 -3.679 1.00 0.00 H new ATOM 202 N LEU A 16 1.307 -2.042 -6.285 1.00 0.00 N ATOM 203 CA LEU A 16 1.345 -2.159 -7.732 1.00 0.00 C ATOM 204 C LEU A 16 1.951 -0.886 -8.327 1.00 0.00 C ATOM 205 O LEU A 16 2.813 -0.954 -9.202 1.00 0.00 O ATOM 206 CB LEU A 16 -0.044 -2.493 -8.280 1.00 0.00 C ATOM 207 CG LEU A 16 -0.608 -3.860 -7.890 1.00 0.00 C ATOM 208 CD1 LEU A 16 -2.104 -3.945 -8.200 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.181 -4.989 -8.557 1.00 0.00 C ATOM 0 H LEU A 16 0.416 -1.720 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 16 1.987 -2.988 -8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.740 -1.725 -7.942 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.007 -2.434 -9.368 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.495 -3.981 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.480 -4.927 -7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.636 -3.175 -7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.264 -3.793 -9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.240 -5.950 -8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.123 -4.883 -9.640 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.224 -4.939 -8.243 1.00 0.00 H new ATOM 221 N TYR A 17 1.477 0.246 -7.828 1.00 0.00 N ATOM 222 CA TYR A 17 1.961 1.532 -8.299 1.00 0.00 C ATOM 223 C TYR A 17 2.335 2.440 -7.125 1.00 0.00 C ATOM 224 O TYR A 17 1.649 2.457 -6.105 1.00 0.00 O ATOM 225 CB TYR A 17 0.798 2.165 -9.066 1.00 0.00 C ATOM 226 CG TYR A 17 0.089 1.205 -10.023 1.00 0.00 C ATOM 227 CD1 TYR A 17 -0.884 0.350 -9.548 1.00 0.00 C ATOM 228 CD2 TYR A 17 0.422 1.195 -11.363 1.00 0.00 C ATOM 229 CE1 TYR A 17 -1.552 -0.553 -10.449 1.00 0.00 C ATOM 230 CE2 TYR A 17 -0.246 0.292 -12.264 1.00 0.00 C ATOM 231 CZ TYR A 17 -1.200 -0.538 -11.762 1.00 0.00 C ATOM 232 OH TYR A 17 -1.830 -1.391 -12.613 1.00 0.00 O ATOM 0 H TYR A 17 0.763 0.299 -7.102 1.00 0.00 H new ATOM 0 HA TYR A 17 2.850 1.405 -8.917 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.072 2.551 -8.351 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.171 3.018 -9.633 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.145 0.358 -8.500 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.183 1.864 -11.735 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.316 -1.227 -10.090 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.005 0.274 -13.314 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.477 -1.269 -13.519 1.00 0.00 H new ATOM 242 N ALA A 18 3.424 3.173 -7.309 1.00 0.00 N ATOM 243 CA ALA A 18 3.898 4.080 -6.279 1.00 0.00 C ATOM 244 C ALA A 18 2.812 5.114 -5.976 1.00 0.00 C ATOM 245 O ALA A 18 2.270 5.736 -6.889 1.00 0.00 O ATOM 246 CB ALA A 18 5.209 4.727 -6.732 1.00 0.00 C ATOM 0 H ALA A 18 3.991 3.157 -8.157 1.00 0.00 H new ATOM 0 HA ALA A 18 4.104 3.538 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.565 5.408 -5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.956 3.952 -6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.041 5.282 -7.655 1.00 0.00 H new ATOM 252 N CYS A 19 2.525 5.266 -4.692 1.00 0.00 N ATOM 253 CA CYS A 19 1.513 6.213 -4.257 1.00 0.00 C ATOM 254 C CYS A 19 2.144 7.153 -3.228 1.00 0.00 C ATOM 255 O CYS A 19 2.853 6.706 -2.327 1.00 0.00 O ATOM 256 CB CYS A 19 0.277 5.505 -3.701 1.00 0.00 C ATOM 257 SG CYS A 19 -1.217 6.516 -4.011 1.00 0.00 S ATOM 0 H CYS A 19 2.976 4.748 -3.938 1.00 0.00 H new ATOM 0 HA CYS A 19 1.164 6.793 -5.111 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.167 4.527 -4.169 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.396 5.335 -2.631 1.00 0.00 H new ATOM 0 HG CYS A 19 -2.261 5.904 -3.537 1.00 0.00 H new ATOM 263 N LYS A 20 1.865 8.437 -3.395 1.00 0.00 N ATOM 264 CA LYS A 20 2.396 9.443 -2.492 1.00 0.00 C ATOM 265 C LYS A 20 1.334 9.799 -1.450 1.00 0.00 C ATOM 266 O LYS A 20 0.378 10.511 -1.752 1.00 0.00 O ATOM 267 CB LYS A 20 2.916 10.648 -3.278 1.00 0.00 C ATOM 268 CG LYS A 20 3.734 11.578 -2.379 1.00 0.00 C ATOM 269 CD LYS A 20 3.327 13.038 -2.585 1.00 0.00 C ATOM 270 CE LYS A 20 3.513 13.846 -1.299 1.00 0.00 C ATOM 271 NZ LYS A 20 4.945 13.915 -0.933 1.00 0.00 N ATOM 0 H LYS A 20 1.277 8.804 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 20 3.256 9.051 -1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.532 10.306 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.077 11.196 -3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.589 11.300 -1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.795 11.459 -2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.925 13.477 -3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.285 13.088 -2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.117 14.853 -1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.946 13.387 -0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.067 14.563 -0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.282 12.967 -0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.494 14.264 -1.744 1.00 0.00 H new ATOM 350 N GLU A 26 -2.841 7.765 5.680 1.00 0.00 N ATOM 351 CA GLU A 26 -2.405 6.978 4.539 1.00 0.00 C ATOM 352 C GLU A 26 -0.921 6.628 4.671 1.00 0.00 C ATOM 353 O GLU A 26 -0.245 7.107 5.580 1.00 0.00 O ATOM 354 CB GLU A 26 -2.680 7.716 3.227 1.00 0.00 C ATOM 355 CG GLU A 26 -4.048 7.333 2.659 1.00 0.00 C ATOM 356 CD GLU A 26 -4.066 7.469 1.135 1.00 0.00 C ATOM 357 OE1 GLU A 26 -3.760 8.584 0.661 1.00 0.00 O ATOM 358 OE2 GLU A 26 -4.387 6.455 0.478 1.00 0.00 O ATOM 0 HA GLU A 26 -2.977 6.050 4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.641 8.792 3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.902 7.478 2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.288 6.307 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.818 7.971 3.094 1.00 0.00 H new ATOM 365 N LEU A 27 -0.458 5.796 3.750 1.00 0.00 N ATOM 366 CA LEU A 27 0.933 5.376 3.752 1.00 0.00 C ATOM 367 C LEU A 27 1.552 5.671 2.384 1.00 0.00 C ATOM 368 O LEU A 27 0.875 5.587 1.361 1.00 0.00 O ATOM 369 CB LEU A 27 1.050 3.911 4.176 1.00 0.00 C ATOM 370 CG LEU A 27 0.322 3.526 5.466 1.00 0.00 C ATOM 371 CD1 LEU A 27 0.236 2.006 5.614 1.00 0.00 C ATOM 372 CD2 LEU A 27 0.977 4.184 6.682 1.00 0.00 C ATOM 0 H LEU A 27 -1.022 5.401 2.997 1.00 0.00 H new ATOM 0 HA LEU A 27 1.501 5.944 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.669 3.288 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.107 3.670 4.293 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.699 3.902 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.286 1.759 6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.309 1.588 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.241 1.586 5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.441 3.894 7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.015 3.859 6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.943 5.268 6.572 1.00 0.00 H new ATOM 384 N SER A 28 2.832 6.012 2.411 1.00 0.00 N ATOM 385 CA SER A 28 3.551 6.321 1.186 1.00 0.00 C ATOM 386 C SER A 28 4.561 5.214 0.879 1.00 0.00 C ATOM 387 O SER A 28 5.301 4.782 1.762 1.00 0.00 O ATOM 388 CB SER A 28 4.259 7.673 1.288 1.00 0.00 C ATOM 389 OG SER A 28 5.360 7.632 2.191 1.00 0.00 O ATOM 0 H SER A 28 3.390 6.081 3.262 1.00 0.00 H new ATOM 0 HA SER A 28 2.829 6.381 0.372 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.611 7.973 0.301 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.548 8.431 1.617 1.00 0.00 H new ATOM 0 HG SER A 28 5.787 8.514 2.227 1.00 0.00 H new ATOM 395 N PHE A 29 4.561 4.787 -0.375 1.00 0.00 N ATOM 396 CA PHE A 29 5.469 3.739 -0.809 1.00 0.00 C ATOM 397 C PHE A 29 5.566 3.695 -2.335 1.00 0.00 C ATOM 398 O PHE A 29 4.798 4.360 -3.029 1.00 0.00 O ATOM 399 CB PHE A 29 4.894 2.413 -0.308 1.00 0.00 C ATOM 400 CG PHE A 29 3.406 2.226 -0.611 1.00 0.00 C ATOM 401 CD1 PHE A 29 3.010 1.817 -1.846 1.00 0.00 C ATOM 402 CD2 PHE A 29 2.479 2.469 0.355 1.00 0.00 C ATOM 403 CE1 PHE A 29 1.629 1.643 -2.127 1.00 0.00 C ATOM 404 CE2 PHE A 29 1.098 2.295 0.073 1.00 0.00 C ATOM 405 CZ PHE A 29 0.702 1.886 -1.162 1.00 0.00 C ATOM 0 H PHE A 29 3.946 5.148 -1.105 1.00 0.00 H new ATOM 0 HA PHE A 29 6.468 3.925 -0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.452 1.593 -0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.046 2.347 0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.746 1.625 -2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.793 2.794 1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.315 1.317 -3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.362 2.488 0.840 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.348 1.754 -1.376 1.00 0.00 H new ATOM 415 N THR A 30 6.516 2.905 -2.814 1.00 0.00 N ATOM 416 CA THR A 30 6.723 2.765 -4.245 1.00 0.00 C ATOM 417 C THR A 30 6.204 1.410 -4.729 1.00 0.00 C ATOM 418 O THR A 30 5.876 0.542 -3.921 1.00 0.00 O ATOM 419 CB THR A 30 8.210 2.984 -4.531 1.00 0.00 C ATOM 420 OG1 THR A 30 8.818 1.746 -4.175 1.00 0.00 O ATOM 421 CG2 THR A 30 8.846 3.999 -3.580 1.00 0.00 C ATOM 0 H THR A 30 7.151 2.355 -2.236 1.00 0.00 H new ATOM 0 HA THR A 30 6.157 3.512 -4.802 1.00 0.00 H new ATOM 0 HB THR A 30 8.336 3.323 -5.559 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.784 1.799 -4.331 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.901 4.117 -3.826 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.340 4.959 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.751 3.645 -2.553 1.00 0.00 H new ATOM 429 N ALA A 31 6.146 1.270 -6.045 1.00 0.00 N ATOM 430 CA ALA A 31 5.672 0.035 -6.647 1.00 0.00 C ATOM 431 C ALA A 31 6.643 -1.097 -6.306 1.00 0.00 C ATOM 432 O ALA A 31 7.851 -0.961 -6.490 1.00 0.00 O ATOM 433 CB ALA A 31 5.511 0.231 -8.156 1.00 0.00 C ATOM 0 H ALA A 31 6.420 1.992 -6.712 1.00 0.00 H new ATOM 0 HA ALA A 31 4.695 -0.237 -6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.156 -0.695 -8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.790 1.027 -8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.472 0.502 -8.592 1.00 0.00 H new ATOM 439 N GLY A 32 6.077 -2.191 -5.816 1.00 0.00 N ATOM 440 CA GLY A 32 6.877 -3.347 -5.449 1.00 0.00 C ATOM 441 C GLY A 32 7.000 -3.467 -3.928 1.00 0.00 C ATOM 442 O GLY A 32 7.309 -4.539 -3.410 1.00 0.00 O ATOM 0 H GLY A 32 5.074 -2.301 -5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.423 -4.252 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.869 -3.263 -5.892 1.00 0.00 H new ATOM 446 N THR A 33 6.752 -2.353 -3.256 1.00 0.00 N ATOM 447 CA THR A 33 6.830 -2.320 -1.806 1.00 0.00 C ATOM 448 C THR A 33 5.886 -3.358 -1.197 1.00 0.00 C ATOM 449 O THR A 33 4.708 -3.413 -1.549 1.00 0.00 O ATOM 450 CB THR A 33 6.537 -0.890 -1.348 1.00 0.00 C ATOM 451 OG1 THR A 33 7.734 -0.177 -1.649 1.00 0.00 O ATOM 452 CG2 THR A 33 6.408 -0.776 0.172 1.00 0.00 C ATOM 0 H THR A 33 6.497 -1.466 -3.689 1.00 0.00 H new ATOM 0 HA THR A 33 7.827 -2.590 -1.458 1.00 0.00 H new ATOM 0 HB THR A 33 5.617 -0.540 -1.817 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.615 0.325 -2.482 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.200 0.259 0.443 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.593 -1.412 0.517 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.339 -1.094 0.641 1.00 0.00 H new ATOM 460 N VAL A 34 6.437 -4.156 -0.294 1.00 0.00 N ATOM 461 CA VAL A 34 5.658 -5.189 0.367 1.00 0.00 C ATOM 462 C VAL A 34 5.233 -4.694 1.751 1.00 0.00 C ATOM 463 O VAL A 34 6.014 -4.052 2.452 1.00 0.00 O ATOM 464 CB VAL A 34 6.456 -6.494 0.418 1.00 0.00 C ATOM 465 CG1 VAL A 34 5.809 -7.495 1.377 1.00 0.00 C ATOM 466 CG2 VAL A 34 6.612 -7.096 -0.980 1.00 0.00 C ATOM 0 H VAL A 34 7.414 -4.108 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 34 4.749 -5.401 -0.196 1.00 0.00 H new ATOM 0 HB VAL A 34 7.452 -6.263 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.396 -8.413 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.773 -7.068 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.796 -7.718 1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.183 -8.022 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.627 -7.305 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.137 -6.390 -1.624 1.00 0.00 H new ATOM 476 N PHE A 35 3.996 -5.012 2.104 1.00 0.00 N ATOM 477 CA PHE A 35 3.458 -4.608 3.391 1.00 0.00 C ATOM 478 C PHE A 35 3.325 -5.808 4.331 1.00 0.00 C ATOM 479 O PHE A 35 3.054 -6.922 3.887 1.00 0.00 O ATOM 480 CB PHE A 35 2.068 -4.022 3.131 1.00 0.00 C ATOM 481 CG PHE A 35 2.065 -2.832 2.170 1.00 0.00 C ATOM 482 CD1 PHE A 35 2.283 -1.575 2.642 1.00 0.00 C ATOM 483 CD2 PHE A 35 1.843 -3.030 0.843 1.00 0.00 C ATOM 484 CE1 PHE A 35 2.280 -0.471 1.750 1.00 0.00 C ATOM 485 CE2 PHE A 35 1.840 -1.926 -0.049 1.00 0.00 C ATOM 486 CZ PHE A 35 2.058 -0.669 0.423 1.00 0.00 C ATOM 0 H PHE A 35 3.351 -5.545 1.521 1.00 0.00 H new ATOM 0 HA PHE A 35 4.123 -3.884 3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.425 -4.804 2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.633 -3.710 4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.458 -1.417 3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.669 -4.028 0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.454 0.527 2.125 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.665 -2.084 -1.103 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.055 0.171 -0.256 1.00 0.00 H new ATOM 496 N ASP A 36 3.521 -5.539 5.614 1.00 0.00 N ATOM 497 CA ASP A 36 3.427 -6.583 6.620 1.00 0.00 C ATOM 498 C ASP A 36 1.997 -6.635 7.161 1.00 0.00 C ATOM 499 O ASP A 36 1.348 -5.601 7.313 1.00 0.00 O ATOM 500 CB ASP A 36 4.366 -6.302 7.794 1.00 0.00 C ATOM 501 CG ASP A 36 5.662 -7.116 7.795 1.00 0.00 C ATOM 502 OD1 ASP A 36 6.420 -6.976 6.810 1.00 0.00 O ATOM 503 OD2 ASP A 36 5.865 -7.859 8.779 1.00 0.00 O ATOM 0 H ASP A 36 3.744 -4.613 5.979 1.00 0.00 H new ATOM 0 HA ASP A 36 3.706 -7.528 6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.620 -5.242 7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.831 -6.498 8.723 1.00 0.00 H new ATOM 508 N ASN A 37 1.547 -7.850 7.438 1.00 0.00 N ATOM 509 CA ASN A 37 0.205 -8.052 7.959 1.00 0.00 C ATOM 510 C ASN A 37 -0.762 -7.107 7.242 1.00 0.00 C ATOM 511 O ASN A 37 -1.005 -5.994 7.704 1.00 0.00 O ATOM 512 CB ASN A 37 0.144 -7.744 9.456 1.00 0.00 C ATOM 513 CG ASN A 37 -0.883 -8.635 10.157 1.00 0.00 C ATOM 514 OD1 ASN A 37 -0.555 -9.487 10.966 1.00 0.00 O ATOM 515 ND2 ASN A 37 -2.142 -8.390 9.804 1.00 0.00 N ATOM 0 H ASN A 37 2.088 -8.705 7.311 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.069 -9.094 7.794 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.127 -7.895 9.902 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.116 -6.696 9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.902 -8.931 10.217 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.347 -7.662 9.120 1.00 0.00 H new ATOM 522 N VAL A 38 -1.288 -7.587 6.124 1.00 0.00 N ATOM 523 CA VAL A 38 -2.223 -6.800 5.339 1.00 0.00 C ATOM 524 C VAL A 38 -3.643 -7.318 5.576 1.00 0.00 C ATOM 525 O VAL A 38 -3.859 -8.525 5.675 1.00 0.00 O ATOM 526 CB VAL A 38 -1.817 -6.822 3.865 1.00 0.00 C ATOM 527 CG1 VAL A 38 -2.882 -6.154 2.992 1.00 0.00 C ATOM 528 CG2 VAL A 38 -0.451 -6.164 3.663 1.00 0.00 C ATOM 0 H VAL A 38 -1.084 -8.511 5.744 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.201 -5.756 5.652 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.736 -7.864 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.568 -6.183 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.828 -6.685 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.010 -5.117 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.186 -6.193 2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.493 -5.128 3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.301 -6.702 4.240 1.00 0.00 H new ATOM 538 N HIS A 39 -4.575 -6.380 5.660 1.00 0.00 N ATOM 539 CA HIS A 39 -5.968 -6.727 5.883 1.00 0.00 C ATOM 540 C HIS A 39 -6.866 -5.590 5.388 1.00 0.00 C ATOM 541 O HIS A 39 -6.387 -4.492 5.113 1.00 0.00 O ATOM 542 CB HIS A 39 -6.212 -7.078 7.352 1.00 0.00 C ATOM 543 CG HIS A 39 -6.613 -5.900 8.207 1.00 0.00 C ATOM 544 ND1 HIS A 39 -7.830 -5.255 8.071 1.00 0.00 N ATOM 545 CD2 HIS A 39 -5.947 -5.259 9.210 1.00 0.00 C ATOM 546 CE1 HIS A 39 -7.882 -4.270 8.956 1.00 0.00 C ATOM 547 NE2 HIS A 39 -6.715 -4.275 9.661 1.00 0.00 N ATOM 0 H HIS A 39 -4.393 -5.380 5.578 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.220 -7.619 5.310 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -6.992 -7.837 7.409 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.306 -7.521 7.764 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.962 -5.510 9.575 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.704 -3.584 9.094 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.472 -3.629 10.412 1.00 0.00 H new ATOM 555 N PRO A 40 -8.186 -5.902 5.289 1.00 0.00 N ATOM 556 CA PRO A 40 -9.154 -4.920 4.832 1.00 0.00 C ATOM 557 C PRO A 40 -9.445 -3.889 5.924 1.00 0.00 C ATOM 558 O PRO A 40 -10.033 -4.218 6.953 1.00 0.00 O ATOM 559 CB PRO A 40 -10.379 -5.730 4.438 1.00 0.00 C ATOM 560 CG PRO A 40 -10.224 -7.079 5.120 1.00 0.00 C ATOM 561 CD PRO A 40 -8.789 -7.193 5.606 1.00 0.00 C ATOM 0 HA PRO A 40 -8.792 -4.333 3.988 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.295 -5.233 4.758 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.440 -5.844 3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.918 -7.166 5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.457 -7.887 4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.748 -7.397 6.676 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.265 -8.008 5.106 1.00 0.00 H new ATOM 569 N SER A 41 -9.020 -2.661 5.662 1.00 0.00 N ATOM 570 CA SER A 41 -9.227 -1.579 6.610 1.00 0.00 C ATOM 571 C SER A 41 -10.725 -1.335 6.805 1.00 0.00 C ATOM 572 O SER A 41 -11.549 -1.909 6.094 1.00 0.00 O ATOM 573 CB SER A 41 -8.537 -0.297 6.141 1.00 0.00 C ATOM 574 OG SER A 41 -8.191 0.552 7.232 1.00 0.00 O ATOM 0 H SER A 41 -8.533 -2.392 4.807 1.00 0.00 H new ATOM 0 HA SER A 41 -8.785 -1.869 7.563 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.637 -0.553 5.581 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.195 0.240 5.458 1.00 0.00 H new ATOM 0 HG SER A 41 -8.919 1.187 7.396 1.00 0.00 H new ATOM 580 N GLN A 42 -11.032 -0.483 7.772 1.00 0.00 N ATOM 581 CA GLN A 42 -12.416 -0.155 8.070 1.00 0.00 C ATOM 582 C GLN A 42 -13.053 0.580 6.889 1.00 0.00 C ATOM 583 O GLN A 42 -14.275 0.595 6.749 1.00 0.00 O ATOM 584 CB GLN A 42 -12.520 0.672 9.352 1.00 0.00 C ATOM 585 CG GLN A 42 -13.217 -0.119 10.461 1.00 0.00 C ATOM 586 CD GLN A 42 -14.629 -0.529 10.037 1.00 0.00 C ATOM 587 OE1 GLN A 42 -15.304 0.158 9.289 1.00 0.00 O ATOM 588 NE2 GLN A 42 -15.035 -1.685 10.555 1.00 0.00 N ATOM 0 H GLN A 42 -10.346 -0.010 8.360 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.963 -1.084 8.232 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.523 0.965 9.681 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.073 1.590 9.153 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.633 -1.008 10.701 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.266 0.485 11.367 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.419 -2.210 11.175 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -15.963 -2.046 10.332 1.00 0.00 H new ATOM 597 N GLU A 43 -12.197 1.174 6.071 1.00 0.00 N ATOM 598 CA GLU A 43 -12.661 1.909 4.907 1.00 0.00 C ATOM 599 C GLU A 43 -12.860 0.960 3.724 1.00 0.00 C ATOM 600 O GLU A 43 -12.198 -0.073 3.633 1.00 0.00 O ATOM 601 CB GLU A 43 -11.690 3.036 4.548 1.00 0.00 C ATOM 602 CG GLU A 43 -11.930 4.266 5.426 1.00 0.00 C ATOM 603 CD GLU A 43 -12.008 3.878 6.904 1.00 0.00 C ATOM 604 OE1 GLU A 43 -11.088 3.160 7.352 1.00 0.00 O ATOM 605 OE2 GLU A 43 -12.987 4.307 7.552 1.00 0.00 O ATOM 0 H GLU A 43 -11.184 1.161 6.191 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.622 2.364 5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.664 2.690 4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.811 3.305 3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.125 4.986 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.856 4.756 5.126 1.00 0.00 H new ATOM 612 N PRO A 44 -13.799 1.354 2.823 1.00 0.00 N ATOM 613 CA PRO A 44 -14.094 0.550 1.649 1.00 0.00 C ATOM 614 C PRO A 44 -12.986 0.681 0.602 1.00 0.00 C ATOM 615 O PRO A 44 -12.625 1.789 0.209 1.00 0.00 O ATOM 616 CB PRO A 44 -15.440 1.055 1.154 1.00 0.00 C ATOM 617 CG PRO A 44 -15.630 2.424 1.786 1.00 0.00 C ATOM 618 CD PRO A 44 -14.602 2.571 2.897 1.00 0.00 C ATOM 0 HA PRO A 44 -14.140 -0.516 1.871 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.456 1.122 0.066 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.242 0.376 1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.502 3.209 1.041 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.640 2.524 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.988 3.460 2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.082 2.670 3.870 1.00 0.00 H new ATOM 626 N GLY A 45 -12.476 -0.467 0.181 1.00 0.00 N ATOM 627 CA GLY A 45 -11.416 -0.496 -0.812 1.00 0.00 C ATOM 628 C GLY A 45 -10.125 0.106 -0.253 1.00 0.00 C ATOM 629 O GLY A 45 -9.358 0.729 -0.986 1.00 0.00 O ATOM 0 H GLY A 45 -12.777 -1.384 0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.236 -1.524 -1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.727 0.059 -1.697 1.00 0.00 H new ATOM 633 N TRP A 46 -9.924 -0.101 1.040 1.00 0.00 N ATOM 634 CA TRP A 46 -8.739 0.413 1.705 1.00 0.00 C ATOM 635 C TRP A 46 -8.190 -0.691 2.612 1.00 0.00 C ATOM 636 O TRP A 46 -8.892 -1.179 3.496 1.00 0.00 O ATOM 637 CB TRP A 46 -9.052 1.706 2.460 1.00 0.00 C ATOM 638 CG TRP A 46 -9.237 2.926 1.555 1.00 0.00 C ATOM 639 CD1 TRP A 46 -10.383 3.521 1.196 1.00 0.00 C ATOM 640 CD2 TRP A 46 -8.192 3.680 0.905 1.00 0.00 C ATOM 641 NE1 TRP A 46 -10.154 4.599 0.365 1.00 0.00 N ATOM 642 CE2 TRP A 46 -8.780 4.699 0.183 1.00 0.00 C ATOM 643 CE3 TRP A 46 -6.797 3.508 0.926 1.00 0.00 C ATOM 644 CZ2 TRP A 46 -8.049 5.624 -0.572 1.00 0.00 C ATOM 645 CZ3 TRP A 46 -6.081 4.441 0.167 1.00 0.00 C ATOM 646 CH2 TRP A 46 -6.657 5.472 -0.565 1.00 0.00 C ATOM 0 H TRP A 46 -10.562 -0.618 1.645 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.973 0.679 0.977 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -9.959 1.561 3.047 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -8.245 1.908 3.164 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -11.362 3.198 1.517 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -10.863 5.210 -0.041 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -6.316 2.718 1.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -8.533 6.412 -1.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.005 4.353 0.149 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -6.034 6.153 -1.126 1.00 0.00 H new ATOM 657 N LEU A 47 -6.940 -1.051 2.361 1.00 0.00 N ATOM 658 CA LEU A 47 -6.289 -2.088 3.144 1.00 0.00 C ATOM 659 C LEU A 47 -5.513 -1.441 4.293 1.00 0.00 C ATOM 660 O LEU A 47 -4.979 -0.343 4.146 1.00 0.00 O ATOM 661 CB LEU A 47 -5.428 -2.977 2.244 1.00 0.00 C ATOM 662 CG LEU A 47 -6.159 -3.682 1.100 1.00 0.00 C ATOM 663 CD1 LEU A 47 -5.182 -4.477 0.232 1.00 0.00 C ATOM 664 CD2 LEU A 47 -7.295 -4.557 1.633 1.00 0.00 C ATOM 0 H LEU A 47 -6.361 -0.643 1.627 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.030 -2.750 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.632 -2.366 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.951 -3.735 2.865 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.610 -2.921 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.728 -4.968 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.439 -3.801 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.682 -5.229 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.799 -5.047 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.888 -5.312 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.009 -3.936 2.174 1.00 0.00 H new ATOM 676 N GLU A 48 -5.476 -2.150 5.412 1.00 0.00 N ATOM 677 CA GLU A 48 -4.775 -1.659 6.586 1.00 0.00 C ATOM 678 C GLU A 48 -3.615 -2.591 6.940 1.00 0.00 C ATOM 679 O GLU A 48 -3.818 -3.630 7.567 1.00 0.00 O ATOM 680 CB GLU A 48 -5.732 -1.500 7.770 1.00 0.00 C ATOM 681 CG GLU A 48 -5.157 -0.541 8.814 1.00 0.00 C ATOM 682 CD GLU A 48 -6.273 0.115 9.630 1.00 0.00 C ATOM 683 OE1 GLU A 48 -7.241 -0.608 9.951 1.00 0.00 O ATOM 684 OE2 GLU A 48 -6.133 1.324 9.914 1.00 0.00 O ATOM 0 H GLU A 48 -5.920 -3.061 5.530 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.367 -0.675 6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.693 -1.126 7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.916 -2.472 8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.485 -1.083 9.480 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.564 0.228 8.319 1.00 0.00 H new ATOM 691 N GLY A 49 -2.424 -2.187 6.523 1.00 0.00 N ATOM 692 CA GLY A 49 -1.231 -2.973 6.789 1.00 0.00 C ATOM 693 C GLY A 49 -0.234 -2.186 7.641 1.00 0.00 C ATOM 694 O GLY A 49 -0.519 -1.065 8.060 1.00 0.00 O ATOM 0 H GLY A 49 -2.260 -1.325 6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.505 -3.895 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.763 -3.260 5.847 1.00 0.00 H new ATOM 698 N THR A 50 0.915 -2.804 7.872 1.00 0.00 N ATOM 699 CA THR A 50 1.956 -2.176 8.668 1.00 0.00 C ATOM 700 C THR A 50 3.241 -2.035 7.849 1.00 0.00 C ATOM 701 O THR A 50 3.957 -3.013 7.639 1.00 0.00 O ATOM 702 CB THR A 50 2.136 -2.998 9.945 1.00 0.00 C ATOM 703 OG1 THR A 50 0.911 -2.817 10.650 1.00 0.00 O ATOM 704 CG2 THR A 50 3.194 -2.405 10.878 1.00 0.00 C ATOM 0 H THR A 50 1.148 -3.733 7.522 1.00 0.00 H new ATOM 0 HA THR A 50 1.677 -1.162 8.955 1.00 0.00 H new ATOM 0 HB THR A 50 2.414 -4.019 9.683 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.690 -1.863 10.682 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.283 -3.026 11.769 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.154 -2.370 10.363 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.900 -1.396 11.167 1.00 0.00 H new ATOM 712 N LEU A 51 3.493 -0.811 7.408 1.00 0.00 N ATOM 713 CA LEU A 51 4.679 -0.530 6.617 1.00 0.00 C ATOM 714 C LEU A 51 5.742 0.113 7.510 1.00 0.00 C ATOM 715 O LEU A 51 5.471 1.102 8.188 1.00 0.00 O ATOM 716 CB LEU A 51 4.317 0.308 5.389 1.00 0.00 C ATOM 717 CG LEU A 51 5.436 0.517 4.366 1.00 0.00 C ATOM 718 CD1 LEU A 51 5.524 -0.667 3.401 1.00 0.00 C ATOM 719 CD2 LEU A 51 5.264 1.846 3.629 1.00 0.00 C ATOM 0 H LEU A 51 2.896 -0.003 7.584 1.00 0.00 H new ATOM 0 HA LEU A 51 5.106 -1.454 6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.475 -0.167 4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.975 1.286 5.729 1.00 0.00 H new ATOM 0 HG LEU A 51 6.384 0.567 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.327 -0.493 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.729 -1.579 3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.579 -0.773 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.072 1.970 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.308 1.851 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.289 2.666 4.347 1.00 0.00 H new ATOM 731 N ASN A 52 6.928 -0.476 7.480 1.00 0.00 N ATOM 732 CA ASN A 52 8.033 0.028 8.278 1.00 0.00 C ATOM 733 C ASN A 52 7.519 0.415 9.666 1.00 0.00 C ATOM 734 O ASN A 52 7.494 1.594 10.016 1.00 0.00 O ATOM 735 CB ASN A 52 8.652 1.272 7.639 1.00 0.00 C ATOM 736 CG ASN A 52 7.574 2.292 7.267 1.00 0.00 C ATOM 737 OD1 ASN A 52 6.998 2.960 8.110 1.00 0.00 O ATOM 738 ND2 ASN A 52 7.334 2.374 5.962 1.00 0.00 N ATOM 0 H ASN A 52 7.148 -1.297 6.916 1.00 0.00 H new ATOM 0 HA ASN A 52 8.787 -0.756 8.343 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.363 1.725 8.330 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.211 0.987 6.748 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.631 3.026 5.613 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.853 1.785 5.310 1.00 0.00 H new ATOM 745 N GLY A 53 7.122 -0.600 10.420 1.00 0.00 N ATOM 746 CA GLY A 53 6.609 -0.380 11.762 1.00 0.00 C ATOM 747 C GLY A 53 5.641 0.803 11.792 1.00 0.00 C ATOM 748 O GLY A 53 5.467 1.441 12.829 1.00 0.00 O ATOM 0 H GLY A 53 7.145 -1.577 10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.102 -1.279 12.113 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.437 -0.194 12.446 1.00 0.00 H new ATOM 752 N LYS A 54 5.035 1.061 10.642 1.00 0.00 N ATOM 753 CA LYS A 54 4.089 2.157 10.524 1.00 0.00 C ATOM 754 C LYS A 54 2.803 1.646 9.871 1.00 0.00 C ATOM 755 O LYS A 54 2.818 1.201 8.725 1.00 0.00 O ATOM 756 CB LYS A 54 4.725 3.338 9.787 1.00 0.00 C ATOM 757 CG LYS A 54 3.937 4.626 10.032 1.00 0.00 C ATOM 758 CD LYS A 54 4.670 5.836 9.449 1.00 0.00 C ATOM 759 CE LYS A 54 4.304 6.041 7.978 1.00 0.00 C ATOM 760 NZ LYS A 54 3.097 6.889 7.857 1.00 0.00 N ATOM 0 H LYS A 54 5.181 0.529 9.784 1.00 0.00 H new ATOM 0 HA LYS A 54 3.819 2.535 11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.754 3.468 10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.761 3.127 8.718 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.948 4.543 9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.788 4.767 11.102 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.415 6.730 10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.747 5.694 9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.137 6.507 7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.127 5.076 7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.863 7.018 6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.300 6.430 8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.279 7.816 8.292 1.00 0.00 H new ATOM 774 N THR A 55 1.719 1.728 10.630 1.00 0.00 N ATOM 775 CA THR A 55 0.427 1.279 10.140 1.00 0.00 C ATOM 776 C THR A 55 -0.374 2.461 9.588 1.00 0.00 C ATOM 777 O THR A 55 -0.295 3.569 10.116 1.00 0.00 O ATOM 778 CB THR A 55 -0.281 0.544 11.279 1.00 0.00 C ATOM 779 OG1 THR A 55 0.531 -0.604 11.509 1.00 0.00 O ATOM 780 CG2 THR A 55 -1.632 -0.035 10.852 1.00 0.00 C ATOM 0 H THR A 55 1.710 2.099 11.580 1.00 0.00 H new ATOM 0 HA THR A 55 0.539 0.585 9.307 1.00 0.00 H new ATOM 0 HB THR A 55 -0.427 1.227 12.116 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.145 -1.138 12.234 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.092 -0.546 11.697 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.284 0.772 10.517 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.483 -0.743 10.037 1.00 0.00 H new ATOM 788 N GLY A 56 -1.126 2.183 8.533 1.00 0.00 N ATOM 789 CA GLY A 56 -1.940 3.209 7.905 1.00 0.00 C ATOM 790 C GLY A 56 -2.915 2.595 6.897 1.00 0.00 C ATOM 791 O GLY A 56 -3.116 1.382 6.884 1.00 0.00 O ATOM 0 H GLY A 56 -1.188 1.263 8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.496 3.755 8.668 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.297 3.931 7.401 1.00 0.00 H new ATOM 795 N LEU A 57 -3.493 3.462 6.079 1.00 0.00 N ATOM 796 CA LEU A 57 -4.441 3.020 5.070 1.00 0.00 C ATOM 797 C LEU A 57 -3.714 2.838 3.737 1.00 0.00 C ATOM 798 O LEU A 57 -2.840 3.631 3.390 1.00 0.00 O ATOM 799 CB LEU A 57 -5.631 3.979 4.996 1.00 0.00 C ATOM 800 CG LEU A 57 -6.454 4.126 6.277 1.00 0.00 C ATOM 801 CD1 LEU A 57 -7.627 5.086 6.068 1.00 0.00 C ATOM 802 CD2 LEU A 57 -6.915 2.762 6.793 1.00 0.00 C ATOM 0 H LEU A 57 -3.323 4.468 6.094 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.859 2.050 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.261 4.964 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.294 3.643 4.198 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.815 4.561 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.196 5.173 6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.248 6.067 5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.274 4.703 5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.498 2.896 7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.531 2.276 6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.045 2.141 7.007 1.00 0.00 H new ATOM 814 N ILE A 58 -4.101 1.790 3.025 1.00 0.00 N ATOM 815 CA ILE A 58 -3.497 1.494 1.738 1.00 0.00 C ATOM 816 C ILE A 58 -4.599 1.223 0.712 1.00 0.00 C ATOM 817 O ILE A 58 -5.599 0.579 1.026 1.00 0.00 O ATOM 818 CB ILE A 58 -2.485 0.354 1.869 1.00 0.00 C ATOM 819 CG1 ILE A 58 -1.414 0.689 2.909 1.00 0.00 C ATOM 820 CG2 ILE A 58 -1.876 0.002 0.511 1.00 0.00 C ATOM 821 CD1 ILE A 58 -0.898 -0.578 3.593 1.00 0.00 C ATOM 0 H ILE A 58 -4.827 1.135 3.316 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.930 2.352 1.378 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.012 -0.532 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.586 1.210 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.827 1.367 3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.160 -0.811 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.666 -0.309 -0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.367 0.875 0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.138 -0.311 4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.724 -1.084 4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.464 -1.243 2.847 1.00 0.00 H new ATOM 833 N PRO A 59 -4.373 1.740 -0.525 1.00 0.00 N ATOM 834 CA PRO A 59 -5.335 1.560 -1.599 1.00 0.00 C ATOM 835 C PRO A 59 -5.283 0.133 -2.149 1.00 0.00 C ATOM 836 O PRO A 59 -4.251 -0.303 -2.656 1.00 0.00 O ATOM 837 CB PRO A 59 -4.969 2.609 -2.636 1.00 0.00 C ATOM 838 CG PRO A 59 -3.541 3.026 -2.321 1.00 0.00 C ATOM 839 CD PRO A 59 -3.200 2.508 -0.933 1.00 0.00 C ATOM 0 HA PRO A 59 -6.365 1.690 -1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.044 2.204 -3.645 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.645 3.462 -2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.852 2.618 -3.061 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.443 4.111 -2.358 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.306 1.885 -0.952 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.003 3.328 -0.242 1.00 0.00 H new ATOM 847 N GLU A 60 -6.409 -0.554 -2.029 1.00 0.00 N ATOM 848 CA GLU A 60 -6.505 -1.923 -2.507 1.00 0.00 C ATOM 849 C GLU A 60 -6.279 -1.974 -4.020 1.00 0.00 C ATOM 850 O GLU A 60 -5.895 -3.011 -4.559 1.00 0.00 O ATOM 851 CB GLU A 60 -7.853 -2.542 -2.133 1.00 0.00 C ATOM 852 CG GLU A 60 -8.149 -3.772 -2.993 1.00 0.00 C ATOM 853 CD GLU A 60 -9.006 -4.783 -2.227 1.00 0.00 C ATOM 854 OE1 GLU A 60 -8.406 -5.580 -1.474 1.00 0.00 O ATOM 855 OE2 GLU A 60 -10.241 -4.736 -2.413 1.00 0.00 O ATOM 0 H GLU A 60 -7.263 -0.188 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.726 -2.511 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.849 -2.823 -1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.645 -1.804 -2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.665 -3.468 -3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.213 -4.240 -3.298 1.00 0.00 H new ATOM 862 N ASN A 61 -6.527 -0.842 -4.661 1.00 0.00 N ATOM 863 CA ASN A 61 -6.355 -0.744 -6.101 1.00 0.00 C ATOM 864 C ASN A 61 -4.914 -0.337 -6.412 1.00 0.00 C ATOM 865 O ASN A 61 -4.624 0.147 -7.505 1.00 0.00 O ATOM 866 CB ASN A 61 -7.285 0.316 -6.696 1.00 0.00 C ATOM 867 CG ASN A 61 -7.118 1.657 -5.979 1.00 0.00 C ATOM 868 OD1 ASN A 61 -7.448 1.813 -4.815 1.00 0.00 O ATOM 869 ND2 ASN A 61 -6.587 2.613 -6.736 1.00 0.00 N ATOM 0 H ASN A 61 -6.846 0.016 -4.210 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.591 -1.715 -6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.071 0.438 -7.758 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.320 -0.017 -6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.434 3.544 -6.349 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.333 2.415 -7.704 1.00 0.00 H new ATOM 876 N TYR A 62 -4.048 -0.547 -5.431 1.00 0.00 N ATOM 877 CA TYR A 62 -2.644 -0.208 -5.586 1.00 0.00 C ATOM 878 C TYR A 62 -1.750 -1.257 -4.922 1.00 0.00 C ATOM 879 O TYR A 62 -0.569 -1.009 -4.683 1.00 0.00 O ATOM 880 CB TYR A 62 -2.453 1.132 -4.874 1.00 0.00 C ATOM 881 CG TYR A 62 -2.026 2.274 -5.800 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.830 2.639 -6.860 1.00 0.00 C ATOM 883 CD2 TYR A 62 -0.837 2.937 -5.574 1.00 0.00 C ATOM 884 CE1 TYR A 62 -2.428 3.713 -7.731 1.00 0.00 C ATOM 885 CE2 TYR A 62 -0.435 4.011 -6.445 1.00 0.00 C ATOM 886 CZ TYR A 62 -1.251 4.346 -7.481 1.00 0.00 C ATOM 887 OH TYR A 62 -0.871 5.360 -8.303 1.00 0.00 O ATOM 0 H TYR A 62 -4.292 -0.948 -4.525 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.374 -0.163 -6.641 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.386 1.407 -4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.703 1.013 -4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.760 2.120 -7.036 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.208 2.650 -4.744 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.048 4.009 -8.564 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.493 4.538 -6.280 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.010 5.719 -8.003 1.00 0.00 H new ATOM 897 N VAL A 63 -2.347 -2.406 -4.643 1.00 0.00 N ATOM 898 CA VAL A 63 -1.620 -3.494 -4.011 1.00 0.00 C ATOM 899 C VAL A 63 -1.898 -4.795 -4.767 1.00 0.00 C ATOM 900 O VAL A 63 -2.761 -4.836 -5.642 1.00 0.00 O ATOM 901 CB VAL A 63 -1.983 -3.574 -2.527 1.00 0.00 C ATOM 902 CG1 VAL A 63 -1.448 -2.361 -1.765 1.00 0.00 C ATOM 903 CG2 VAL A 63 -3.495 -3.715 -2.340 1.00 0.00 C ATOM 0 H VAL A 63 -3.327 -2.608 -4.843 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.546 -3.314 -4.059 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.509 -4.464 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.720 -2.443 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.363 -2.323 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.879 -1.451 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.727 -3.770 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.998 -2.852 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.839 -4.624 -2.834 1.00 0.00 H new ATOM 913 N GLU A 64 -1.152 -5.826 -4.400 1.00 0.00 N ATOM 914 CA GLU A 64 -1.308 -7.125 -5.032 1.00 0.00 C ATOM 915 C GLU A 64 -0.874 -8.237 -4.074 1.00 0.00 C ATOM 916 O GLU A 64 0.286 -8.644 -4.075 1.00 0.00 O ATOM 917 CB GLU A 64 -0.523 -7.194 -6.344 1.00 0.00 C ATOM 918 CG GLU A 64 -0.248 -8.646 -6.742 1.00 0.00 C ATOM 919 CD GLU A 64 -0.382 -8.834 -8.255 1.00 0.00 C ATOM 920 OE1 GLU A 64 -1.475 -8.517 -8.772 1.00 0.00 O ATOM 921 OE2 GLU A 64 0.612 -9.290 -8.860 1.00 0.00 O ATOM 0 H GLU A 64 -0.438 -5.788 -3.673 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.362 -7.268 -5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.085 -6.696 -7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.420 -6.658 -6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.755 -8.930 -6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.945 -9.307 -6.227 1.00 0.00 H new ATOM 928 N PHE A 65 -1.830 -8.696 -3.280 1.00 0.00 N ATOM 929 CA PHE A 65 -1.562 -9.753 -2.320 1.00 0.00 C ATOM 930 C PHE A 65 -0.609 -10.797 -2.905 1.00 0.00 C ATOM 931 O PHE A 65 -0.758 -11.201 -4.057 1.00 0.00 O ATOM 932 CB PHE A 65 -2.901 -10.421 -2.005 1.00 0.00 C ATOM 933 CG PHE A 65 -3.797 -9.609 -1.067 1.00 0.00 C ATOM 934 CD1 PHE A 65 -3.671 -9.745 0.280 1.00 0.00 C ATOM 935 CD2 PHE A 65 -4.719 -8.752 -1.581 1.00 0.00 C ATOM 936 CE1 PHE A 65 -4.502 -8.991 1.151 1.00 0.00 C ATOM 937 CE2 PHE A 65 -5.550 -7.998 -0.711 1.00 0.00 C ATOM 938 CZ PHE A 65 -5.424 -8.133 0.637 1.00 0.00 C ATOM 0 H PHE A 65 -2.791 -8.355 -3.282 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.096 -9.335 -1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.435 -10.598 -2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.712 -11.396 -1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.939 -10.426 0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.819 -8.645 -2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.402 -9.099 2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.282 -7.317 -1.119 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.056 -7.559 1.299 1.00 0.00 H new ATOM 948 N LEU A 66 0.348 -11.204 -2.085 1.00 0.00 N ATOM 949 CA LEU A 66 1.325 -12.193 -2.507 1.00 0.00 C ATOM 950 C LEU A 66 0.892 -13.575 -2.013 1.00 0.00 C ATOM 951 O LEU A 66 -0.029 -13.688 -1.205 1.00 0.00 O ATOM 952 CB LEU A 66 2.729 -11.789 -2.050 1.00 0.00 C ATOM 953 CG LEU A 66 3.063 -10.299 -2.148 1.00 0.00 C ATOM 954 CD1 LEU A 66 3.614 -9.773 -0.821 1.00 0.00 C ATOM 955 CD2 LEU A 66 4.016 -10.027 -3.313 1.00 0.00 C ATOM 0 H LEU A 66 0.468 -10.867 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 66 1.371 -12.243 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.857 -12.102 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.456 -12.344 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 66 2.141 -9.754 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.843 -8.712 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.870 -9.914 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.522 -10.318 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.237 -8.961 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.941 -10.583 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.549 -10.343 -4.246 1.00 0.00 H new