USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0016 K(o=-0.0016,f=-0.63) USER MOD Single : A 17 GLN : amide:sc= 0.295 X(o=0.3,f=-0.063) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.015) USER MOD Single : A 22 THR OG1 : rot 84:sc= 1.07 USER MOD Single : A 30 SER OG : rot 7:sc= 0.337 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -38:sc= 0.216 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.389 X(o=-0.39,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 59 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 61 SER OG : rot -0:sc= 0.0653 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -154:sc= -0.371 USER MOD Single : A 79 CYS SG : rot -35:sc= 0.625 USER MOD Single : A 85 THR OG1 : rot 118:sc= 1.25 USER MOD Single : A 91 GLN : amide:sc= 0.887 K(o=0.89,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 8 6.861 12.593 3.202 1.00 0.00 N ATOM 77 CA GLU A 8 5.501 12.987 3.594 1.00 0.00 C ATOM 78 C GLU A 8 4.505 11.823 3.681 1.00 0.00 C ATOM 79 O GLU A 8 3.318 12.039 3.887 1.00 0.00 O ATOM 80 CB GLU A 8 5.047 14.077 2.596 1.00 0.00 C ATOM 81 CG GLU A 8 5.631 15.470 2.933 1.00 0.00 C ATOM 82 CD GLU A 8 6.480 16.159 1.852 1.00 0.00 C ATOM 83 OE1 GLU A 8 6.238 15.999 0.629 1.00 0.00 O ATOM 84 OE2 GLU A 8 7.323 17.003 2.241 1.00 0.00 O ATOM 0 HA GLU A 8 5.521 13.371 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.352 13.793 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.958 14.134 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.802 16.132 3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.242 15.371 3.830 1.00 0.00 H new ATOM 91 N TYR A 9 4.972 10.585 3.588 1.00 0.00 N ATOM 92 CA TYR A 9 4.169 9.383 3.572 1.00 0.00 C ATOM 93 C TYR A 9 3.285 9.305 4.816 1.00 0.00 C ATOM 94 O TYR A 9 2.102 9.008 4.701 1.00 0.00 O ATOM 95 CB TYR A 9 5.087 8.159 3.463 1.00 0.00 C ATOM 96 CG TYR A 9 6.201 8.176 2.429 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.118 8.965 1.265 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.324 7.349 2.630 1.00 0.00 C ATOM 99 CE1 TYR A 9 7.106 8.861 0.276 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.302 7.223 1.631 1.00 0.00 C ATOM 101 CZ TYR A 9 8.154 7.926 0.418 1.00 0.00 C ATOM 102 OH TYR A 9 9.006 7.731 -0.620 1.00 0.00 O ATOM 0 H TYR A 9 5.971 10.389 3.519 1.00 0.00 H new ATOM 0 HA TYR A 9 3.508 9.403 2.706 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.544 8.000 4.440 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.459 7.291 3.259 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.293 9.650 1.135 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.433 6.809 3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.065 9.497 -0.596 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.163 6.591 1.791 1.00 0.00 H new ATOM 0 HH TYR A 9 9.675 7.059 -0.372 1.00 0.00 H new ATOM 112 N GLY A 10 3.822 9.640 5.990 1.00 0.00 N ATOM 113 CA GLY A 10 3.112 9.569 7.261 1.00 0.00 C ATOM 114 C GLY A 10 2.196 10.764 7.515 1.00 0.00 C ATOM 115 O GLY A 10 1.562 10.840 8.567 1.00 0.00 O ATOM 0 H GLY A 10 4.781 9.974 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.519 8.655 7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.839 9.500 8.071 1.00 0.00 H new ATOM 119 N ARG A 11 2.132 11.723 6.584 1.00 0.00 N ATOM 120 CA ARG A 11 1.050 12.691 6.527 1.00 0.00 C ATOM 121 C ARG A 11 -0.153 12.131 5.771 1.00 0.00 C ATOM 122 O ARG A 11 -1.216 12.747 5.823 1.00 0.00 O ATOM 123 CB ARG A 11 1.555 13.976 5.852 1.00 0.00 C ATOM 124 CG ARG A 11 2.551 14.745 6.721 1.00 0.00 C ATOM 125 CD ARG A 11 3.966 14.732 6.170 1.00 0.00 C ATOM 126 NE ARG A 11 4.821 15.685 6.887 1.00 0.00 N ATOM 127 CZ ARG A 11 4.900 17.003 6.681 1.00 0.00 C ATOM 128 NH1 ARG A 11 4.155 17.595 5.749 1.00 0.00 N ATOM 129 NH2 ARG A 11 5.727 17.723 7.425 1.00 0.00 N ATOM 0 H ARG A 11 2.833 11.843 5.853 1.00 0.00 H new ATOM 0 HA ARG A 11 0.726 12.914 7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.027 13.722 4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.706 14.620 5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.216 15.778 6.818 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.555 14.316 7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.383 13.729 6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.949 14.981 5.109 1.00 0.00 H new ATOM 0 HE ARG A 11 5.418 15.301 7.620 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.513 17.041 5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.226 18.602 5.603 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.292 17.270 8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.798 18.730 7.280 1.00 0.00 H new ATOM 143 N TYR A 12 0.013 11.047 5.007 1.00 0.00 N ATOM 144 CA TYR A 12 -0.993 10.558 4.076 1.00 0.00 C ATOM 145 C TYR A 12 -1.497 9.172 4.478 1.00 0.00 C ATOM 146 O TYR A 12 -2.701 8.928 4.428 1.00 0.00 O ATOM 147 CB TYR A 12 -0.443 10.500 2.642 1.00 0.00 C ATOM 148 CG TYR A 12 0.308 11.684 2.042 1.00 0.00 C ATOM 149 CD1 TYR A 12 0.214 12.994 2.550 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.104 11.450 0.907 1.00 0.00 C ATOM 151 CE1 TYR A 12 0.920 14.050 1.942 1.00 0.00 C ATOM 152 CE2 TYR A 12 1.786 12.497 0.268 1.00 0.00 C ATOM 153 CZ TYR A 12 1.694 13.808 0.785 1.00 0.00 C ATOM 154 OH TYR A 12 2.335 14.834 0.161 1.00 0.00 O ATOM 0 H TYR A 12 0.862 10.482 5.022 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.825 11.262 4.111 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.224 9.639 2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.287 10.290 1.984 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.405 13.191 3.413 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.192 10.446 0.520 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.870 15.045 2.360 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.378 12.301 -0.614 1.00 0.00 H new ATOM 0 HH TYR A 12 2.822 14.491 -0.617 1.00 0.00 H new ATOM 164 N PHE A 13 -0.593 8.251 4.825 1.00 0.00 N ATOM 165 CA PHE A 13 -0.906 6.966 5.439 1.00 0.00 C ATOM 166 C PHE A 13 -0.845 7.162 6.950 1.00 0.00 C ATOM 167 O PHE A 13 -0.119 8.033 7.432 1.00 0.00 O ATOM 168 CB PHE A 13 0.118 5.898 5.022 1.00 0.00 C ATOM 169 CG PHE A 13 0.278 5.694 3.527 1.00 0.00 C ATOM 170 CD1 PHE A 13 -0.635 4.909 2.793 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.373 6.272 2.864 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.500 4.754 1.410 1.00 0.00 C ATOM 173 CE2 PHE A 13 1.525 6.098 1.481 1.00 0.00 C ATOM 174 CZ PHE A 13 0.584 5.356 0.753 1.00 0.00 C ATOM 0 H PHE A 13 0.407 8.388 4.680 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.892 6.629 5.119 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.088 6.167 5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.171 4.948 5.472 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.450 4.421 3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.097 6.850 3.419 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.223 4.177 0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.371 6.538 0.974 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.694 5.248 -0.316 1.00 0.00 H new ATOM 184 N GLU A 14 -1.554 6.317 7.692 1.00 0.00 N ATOM 185 CA GLU A 14 -1.609 6.370 9.141 1.00 0.00 C ATOM 186 C GLU A 14 -1.803 4.940 9.656 1.00 0.00 C ATOM 187 O GLU A 14 -2.297 4.077 8.928 1.00 0.00 O ATOM 188 CB GLU A 14 -2.733 7.345 9.530 1.00 0.00 C ATOM 189 CG GLU A 14 -2.916 7.584 11.029 1.00 0.00 C ATOM 190 CD GLU A 14 -4.087 6.770 11.575 1.00 0.00 C ATOM 191 OE1 GLU A 14 -3.884 5.626 12.022 1.00 0.00 O ATOM 192 OE2 GLU A 14 -5.217 7.300 11.660 1.00 0.00 O ATOM 0 H GLU A 14 -2.115 5.565 7.292 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.694 6.745 9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.539 8.304 9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.672 6.969 9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.002 7.313 11.558 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.089 8.644 11.213 1.00 0.00 H new ATOM 199 N GLN A 15 -1.389 4.708 10.897 1.00 0.00 N ATOM 200 CA GLN A 15 -1.210 3.438 11.601 1.00 0.00 C ATOM 201 C GLN A 15 -2.386 2.455 11.555 1.00 0.00 C ATOM 202 O GLN A 15 -2.148 1.256 11.649 1.00 0.00 O ATOM 203 CB GLN A 15 -0.805 3.800 13.043 1.00 0.00 C ATOM 204 CG GLN A 15 -0.927 2.663 14.073 1.00 0.00 C ATOM 205 CD GLN A 15 -0.089 2.875 15.332 1.00 0.00 C ATOM 206 OE1 GLN A 15 0.513 3.927 15.551 1.00 0.00 O ATOM 207 NE2 GLN A 15 0.049 1.847 16.141 1.00 0.00 N ATOM 0 H GLN A 15 -1.143 5.491 11.503 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.440 2.870 11.079 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.227 4.149 13.035 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.421 4.635 13.376 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.973 2.556 14.359 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.628 1.726 13.603 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.453 0.979 15.953 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.658 1.918 16.956 1.00 0.00 H new ATOM 216 N LEU A 16 -3.620 2.916 11.411 1.00 0.00 N ATOM 217 CA LEU A 16 -4.821 2.082 11.390 1.00 0.00 C ATOM 218 C LEU A 16 -5.602 2.258 10.086 1.00 0.00 C ATOM 219 O LEU A 16 -6.688 1.695 9.938 1.00 0.00 O ATOM 220 CB LEU A 16 -5.734 2.447 12.578 1.00 0.00 C ATOM 221 CG LEU A 16 -5.091 2.392 13.976 1.00 0.00 C ATOM 222 CD1 LEU A 16 -6.128 2.805 15.026 1.00 0.00 C ATOM 223 CD2 LEU A 16 -4.560 0.995 14.304 1.00 0.00 C ATOM 0 H LEU A 16 -3.823 3.910 11.302 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.504 1.042 11.466 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.118 3.455 12.417 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.592 1.774 12.569 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.245 3.080 13.985 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.677 2.767 16.017 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.469 3.820 14.821 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.977 2.122 14.988 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.114 0.999 15.299 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.381 0.278 14.277 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.806 0.711 13.570 1.00 0.00 H new ATOM 235 N GLN A 17 -5.096 3.083 9.169 1.00 0.00 N ATOM 236 CA GLN A 17 -5.742 3.404 7.915 1.00 0.00 C ATOM 237 C GLN A 17 -5.669 2.211 6.967 1.00 0.00 C ATOM 238 O GLN A 17 -4.991 1.225 7.235 1.00 0.00 O ATOM 239 CB GLN A 17 -5.026 4.625 7.332 1.00 0.00 C ATOM 240 CG GLN A 17 -5.988 5.501 6.530 1.00 0.00 C ATOM 241 CD GLN A 17 -5.385 6.856 6.187 1.00 0.00 C ATOM 242 OE1 GLN A 17 -5.840 7.881 6.682 1.00 0.00 O ATOM 243 NE2 GLN A 17 -4.384 6.890 5.332 1.00 0.00 N ATOM 0 H GLN A 17 -4.200 3.555 9.290 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.798 3.630 8.064 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.584 5.210 8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.208 4.298 6.691 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.265 4.985 5.610 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.905 5.648 7.101 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.023 6.023 4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.969 7.784 5.068 1.00 0.00 H new ATOM 252 N LYS A 18 -6.319 2.310 5.807 1.00 0.00 N ATOM 253 CA LYS A 18 -6.371 1.229 4.837 1.00 0.00 C ATOM 254 C LYS A 18 -5.609 1.589 3.576 1.00 0.00 C ATOM 255 O LYS A 18 -5.500 2.773 3.241 1.00 0.00 O ATOM 256 CB LYS A 18 -7.834 0.875 4.559 1.00 0.00 C ATOM 257 CG LYS A 18 -8.481 0.189 5.772 1.00 0.00 C ATOM 258 CD LYS A 18 -9.301 1.114 6.684 1.00 0.00 C ATOM 259 CE LYS A 18 -10.710 1.171 6.100 1.00 0.00 C ATOM 260 NZ LYS A 18 -11.517 2.305 6.576 1.00 0.00 N ATOM 0 H LYS A 18 -6.824 3.148 5.518 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.879 0.346 5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.389 1.780 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.893 0.217 3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.130 -0.611 5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.696 -0.279 6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.321 0.732 7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.858 2.109 6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.639 1.222 5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.229 0.244 6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.458 2.272 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.618 2.249 7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.046 3.197 6.322 1.00 0.00 H new ATOM 274 N VAL A 19 -5.078 0.602 2.864 1.00 0.00 N ATOM 275 CA VAL A 19 -4.277 0.765 1.650 1.00 0.00 C ATOM 276 C VAL A 19 -4.750 -0.293 0.651 1.00 0.00 C ATOM 277 O VAL A 19 -4.977 -1.450 1.022 1.00 0.00 O ATOM 278 CB VAL A 19 -2.774 0.700 1.970 1.00 0.00 C ATOM 279 CG1 VAL A 19 -2.400 1.846 2.921 1.00 0.00 C ATOM 280 CG2 VAL A 19 -2.295 -0.627 2.562 1.00 0.00 C ATOM 0 H VAL A 19 -5.197 -0.377 3.126 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.418 1.749 1.202 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.268 0.795 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.335 1.798 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.628 2.801 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.971 1.753 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.223 -0.574 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.821 -0.819 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.499 -1.434 1.858 1.00 0.00 H new ATOM 290 N ASN A 20 -4.912 0.120 -0.610 1.00 0.00 N ATOM 291 CA ASN A 20 -5.104 -0.791 -1.729 1.00 0.00 C ATOM 292 C ASN A 20 -3.835 -1.634 -1.919 1.00 0.00 C ATOM 293 O ASN A 20 -2.783 -1.268 -1.391 1.00 0.00 O ATOM 294 CB ASN A 20 -5.424 0.047 -2.977 1.00 0.00 C ATOM 295 CG ASN A 20 -5.977 -0.742 -4.151 1.00 0.00 C ATOM 296 OD1 ASN A 20 -5.745 -0.373 -5.296 1.00 0.00 O ATOM 297 ND2 ASN A 20 -6.737 -1.798 -3.925 1.00 0.00 N ATOM 0 H ASN A 20 -4.913 1.104 -0.879 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.931 -1.477 -1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.144 0.818 -2.704 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.516 0.558 -3.297 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.137 -2.315 -4.708 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.924 -2.097 -2.968 1.00 0.00 H new ATOM 304 N LEU A 21 -3.901 -2.737 -2.676 1.00 0.00 N ATOM 305 CA LEU A 21 -2.917 -3.826 -2.556 1.00 0.00 C ATOM 306 C LEU A 21 -2.278 -4.310 -3.848 1.00 0.00 C ATOM 307 O LEU A 21 -1.525 -5.280 -3.812 1.00 0.00 O ATOM 308 CB LEU A 21 -3.560 -5.014 -1.820 1.00 0.00 C ATOM 309 CG LEU A 21 -3.827 -4.793 -0.327 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.358 -6.114 0.227 1.00 0.00 C ATOM 311 CD2 LEU A 21 -2.573 -4.387 0.456 1.00 0.00 C ATOM 0 H LEU A 21 -4.623 -2.901 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.091 -3.390 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.504 -5.255 -2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.912 -5.883 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.537 -3.973 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.564 -6.006 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.276 -6.384 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.613 -6.896 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.829 -4.246 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.820 -5.170 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.177 -3.456 0.051 1.00 0.00 H new ATOM 323 N THR A 22 -2.541 -3.640 -4.958 1.00 0.00 N ATOM 324 CA THR A 22 -2.453 -4.127 -6.340 1.00 0.00 C ATOM 325 C THR A 22 -1.167 -4.924 -6.611 1.00 0.00 C ATOM 326 O THR A 22 -0.145 -4.357 -6.977 1.00 0.00 O ATOM 327 CB THR A 22 -2.581 -2.935 -7.315 1.00 0.00 C ATOM 328 OG1 THR A 22 -3.337 -1.882 -6.748 1.00 0.00 O ATOM 329 CG2 THR A 22 -3.224 -3.370 -8.631 1.00 0.00 C ATOM 0 H THR A 22 -2.845 -2.667 -4.922 1.00 0.00 H new ATOM 0 HA THR A 22 -3.278 -4.822 -6.499 1.00 0.00 H new ATOM 0 HB THR A 22 -1.572 -2.574 -7.512 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.754 -1.322 -6.194 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.302 -2.512 -9.299 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.610 -4.139 -9.099 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.219 -3.769 -8.435 1.00 0.00 H new ATOM 337 N VAL A 23 -1.211 -6.243 -6.422 1.00 0.00 N ATOM 338 CA VAL A 23 -0.078 -7.139 -6.620 1.00 0.00 C ATOM 339 C VAL A 23 0.024 -7.356 -8.122 1.00 0.00 C ATOM 340 O VAL A 23 -0.970 -7.731 -8.738 1.00 0.00 O ATOM 341 CB VAL A 23 -0.283 -8.496 -5.898 1.00 0.00 C ATOM 342 CG1 VAL A 23 0.965 -9.383 -6.025 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.584 -8.404 -4.395 1.00 0.00 C ATOM 0 H VAL A 23 -2.057 -6.727 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 23 0.831 -6.704 -6.203 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.156 -8.913 -6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.794 -10.328 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.169 -9.576 -7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.819 -8.875 -5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.710 -9.407 -3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.243 -7.907 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.499 -7.832 -4.242 1.00 0.00 H new ATOM 353 N ARG A 24 1.200 -7.163 -8.717 1.00 0.00 N ATOM 354 CA ARG A 24 1.476 -7.635 -10.069 1.00 0.00 C ATOM 355 C ARG A 24 1.584 -9.151 -10.068 1.00 0.00 C ATOM 356 O ARG A 24 2.554 -9.683 -9.522 1.00 0.00 O ATOM 357 CB ARG A 24 2.766 -6.971 -10.563 1.00 0.00 C ATOM 358 CG ARG A 24 3.412 -7.598 -11.806 1.00 0.00 C ATOM 359 CD ARG A 24 4.669 -6.825 -12.218 1.00 0.00 C ATOM 360 NE ARG A 24 4.361 -5.591 -12.963 1.00 0.00 N ATOM 361 CZ ARG A 24 4.866 -5.192 -14.135 1.00 0.00 C ATOM 362 NH1 ARG A 24 5.713 -5.967 -14.804 1.00 0.00 N ATOM 363 NH2 ARG A 24 4.506 -4.019 -14.642 1.00 0.00 N ATOM 0 H ARG A 24 1.982 -6.678 -8.277 1.00 0.00 H new ATOM 0 HA ARG A 24 0.666 -7.366 -10.747 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.553 -5.924 -10.778 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.494 -6.988 -9.752 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.670 -8.637 -11.602 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.697 -7.603 -12.629 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.243 -6.572 -11.327 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.300 -7.467 -12.832 1.00 0.00 H new ATOM 0 HE ARG A 24 3.680 -4.966 -12.532 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.983 -6.874 -14.424 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.093 -5.655 -15.697 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.847 -3.426 -14.138 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.889 -3.711 -15.536 1.00 0.00 H new ATOM 377 N LEU A 25 0.641 -9.857 -10.686 1.00 0.00 N ATOM 378 CA LEU A 25 0.785 -11.243 -11.051 1.00 0.00 C ATOM 379 C LEU A 25 0.886 -11.294 -12.569 1.00 0.00 C ATOM 380 O LEU A 25 -0.094 -11.572 -13.265 1.00 0.00 O ATOM 381 CB LEU A 25 -0.394 -12.046 -10.557 1.00 0.00 C ATOM 382 CG LEU A 25 -0.602 -12.096 -9.054 1.00 0.00 C ATOM 383 CD1 LEU A 25 0.623 -12.347 -8.170 1.00 0.00 C ATOM 384 CD2 LEU A 25 -1.460 -11.056 -8.388 1.00 0.00 C ATOM 0 H LEU A 25 -0.262 -9.462 -10.948 1.00 0.00 H new ATOM 0 HA LEU A 25 1.675 -11.677 -10.596 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.297 -11.640 -11.012 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.286 -13.068 -10.920 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.198 -13.008 -9.103 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.320 -12.356 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.067 -13.309 -8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.355 -11.555 -8.329 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.497 -11.247 -7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.038 -10.067 -8.566 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.469 -11.099 -8.799 1.00 0.00 H new ATOM 436 N SER A 30 -3.040 -10.053 -11.965 1.00 0.00 N ATOM 437 CA SER A 30 -2.951 -9.175 -10.808 1.00 0.00 C ATOM 438 C SER A 30 -4.049 -9.387 -9.761 1.00 0.00 C ATOM 439 O SER A 30 -5.116 -9.960 -10.003 1.00 0.00 O ATOM 440 CB SER A 30 -2.870 -7.675 -11.208 1.00 0.00 C ATOM 441 OG SER A 30 -2.588 -7.405 -12.568 1.00 0.00 O ATOM 0 HA SER A 30 -2.014 -9.463 -10.332 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.818 -7.201 -10.954 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.102 -7.199 -10.598 1.00 0.00 H new ATOM 0 HG SER A 30 -2.602 -8.242 -13.077 1.00 0.00 H new ATOM 447 N PHE A 31 -3.750 -8.939 -8.533 1.00 0.00 N ATOM 448 CA PHE A 31 -4.579 -9.115 -7.354 1.00 0.00 C ATOM 449 C PHE A 31 -4.596 -7.807 -6.611 1.00 0.00 C ATOM 450 O PHE A 31 -3.637 -7.432 -5.938 1.00 0.00 O ATOM 451 CB PHE A 31 -4.100 -10.241 -6.437 1.00 0.00 C ATOM 452 CG PHE A 31 -5.014 -10.433 -5.237 1.00 0.00 C ATOM 453 CD1 PHE A 31 -6.176 -11.217 -5.356 1.00 0.00 C ATOM 454 CD2 PHE A 31 -4.766 -9.741 -4.033 1.00 0.00 C ATOM 455 CE1 PHE A 31 -7.094 -11.285 -4.291 1.00 0.00 C ATOM 456 CE2 PHE A 31 -5.692 -9.799 -2.976 1.00 0.00 C ATOM 457 CZ PHE A 31 -6.862 -10.566 -3.107 1.00 0.00 C ATOM 0 H PHE A 31 -2.890 -8.426 -8.337 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.579 -9.406 -7.676 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.047 -11.171 -7.003 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.090 -10.021 -6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.364 -11.768 -6.266 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.860 -9.164 -3.922 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.981 -11.893 -4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.504 -9.254 -2.063 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.580 -10.602 -2.301 1.00 0.00 H new ATOM 467 N ASP A 32 -5.689 -7.097 -6.760 1.00 0.00 N ATOM 468 CA ASP A 32 -5.993 -5.928 -5.963 1.00 0.00 C ATOM 469 C ASP A 32 -6.892 -6.338 -4.800 1.00 0.00 C ATOM 470 O ASP A 32 -7.496 -7.412 -4.824 1.00 0.00 O ATOM 471 CB ASP A 32 -6.501 -4.800 -6.874 1.00 0.00 C ATOM 472 CG ASP A 32 -8.004 -4.525 -6.900 1.00 0.00 C ATOM 473 OD1 ASP A 32 -8.825 -5.453 -6.772 1.00 0.00 O ATOM 474 OD2 ASP A 32 -8.365 -3.346 -7.134 1.00 0.00 O ATOM 0 H ASP A 32 -6.406 -7.318 -7.451 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.109 -5.502 -5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.998 -3.879 -6.579 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.184 -5.024 -7.893 1.00 0.00 H new ATOM 479 N GLY A 33 -6.909 -5.521 -3.749 1.00 0.00 N ATOM 480 CA GLY A 33 -7.640 -5.797 -2.518 1.00 0.00 C ATOM 481 C GLY A 33 -7.377 -4.706 -1.480 1.00 0.00 C ATOM 482 O GLY A 33 -6.766 -3.683 -1.803 1.00 0.00 O ATOM 0 H GLY A 33 -6.406 -4.634 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.708 -5.857 -2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.339 -6.766 -2.119 1.00 0.00 H new ATOM 486 N THR A 34 -7.814 -4.929 -0.241 1.00 0.00 N ATOM 487 CA THR A 34 -7.777 -3.986 0.875 1.00 0.00 C ATOM 488 C THR A 34 -6.929 -4.590 1.991 1.00 0.00 C ATOM 489 O THR A 34 -7.088 -5.778 2.279 1.00 0.00 O ATOM 490 CB THR A 34 -9.219 -3.763 1.403 1.00 0.00 C ATOM 491 OG1 THR A 34 -10.161 -4.695 0.879 1.00 0.00 O ATOM 492 CG2 THR A 34 -9.737 -2.363 1.098 1.00 0.00 C ATOM 0 H THR A 34 -8.226 -5.823 0.025 1.00 0.00 H new ATOM 0 HA THR A 34 -7.354 -3.036 0.549 1.00 0.00 H new ATOM 0 HB THR A 34 -9.134 -3.907 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.049 -4.506 1.248 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.749 -2.257 1.488 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.088 -1.624 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.745 -2.205 0.020 1.00 0.00 H new ATOM 500 N ALA A 35 -6.109 -3.794 2.684 1.00 0.00 N ATOM 501 CA ALA A 35 -5.593 -4.161 3.999 1.00 0.00 C ATOM 502 C ALA A 35 -5.729 -2.999 4.966 1.00 0.00 C ATOM 503 O ALA A 35 -5.720 -1.845 4.530 1.00 0.00 O ATOM 504 CB ALA A 35 -4.120 -4.570 3.941 1.00 0.00 C ATOM 0 H ALA A 35 -5.788 -2.885 2.350 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.183 -5.011 4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.776 -4.835 4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.007 -5.428 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.526 -3.738 3.562 1.00 0.00 H new ATOM 510 N ALA A 36 -5.793 -3.306 6.264 1.00 0.00 N ATOM 511 CA ALA A 36 -5.549 -2.328 7.314 1.00 0.00 C ATOM 512 C ALA A 36 -4.045 -2.252 7.560 1.00 0.00 C ATOM 513 O ALA A 36 -3.364 -3.278 7.490 1.00 0.00 O ATOM 514 CB ALA A 36 -6.266 -2.753 8.597 1.00 0.00 C ATOM 0 H ALA A 36 -6.015 -4.239 6.611 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.928 -1.352 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.079 -2.017 9.379 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.338 -2.820 8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.892 -3.725 8.918 1.00 0.00 H new ATOM 520 N ILE A 37 -3.551 -1.056 7.873 1.00 0.00 N ATOM 521 CA ILE A 37 -2.256 -0.823 8.487 1.00 0.00 C ATOM 522 C ILE A 37 -2.337 -1.313 9.941 1.00 0.00 C ATOM 523 O ILE A 37 -3.417 -1.483 10.520 1.00 0.00 O ATOM 524 CB ILE A 37 -1.832 0.668 8.302 1.00 0.00 C ATOM 525 CG1 ILE A 37 -1.707 0.973 6.782 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.483 1.032 8.956 1.00 0.00 C ATOM 527 CD1 ILE A 37 -1.341 2.414 6.393 1.00 0.00 C ATOM 0 H ILE A 37 -4.065 -0.193 7.697 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.457 -1.388 8.006 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.604 1.259 8.794 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.954 0.306 6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.655 0.723 6.306 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.265 2.085 8.779 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.537 0.848 10.029 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.308 0.420 8.522 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.285 2.495 5.307 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.103 3.097 6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.375 2.674 6.826 1.00 0.00 H new ATOM 539 N THR A 38 -1.162 -1.603 10.485 1.00 0.00 N ATOM 540 CA THR A 38 -0.924 -2.087 11.837 1.00 0.00 C ATOM 541 C THR A 38 0.283 -1.362 12.446 1.00 0.00 C ATOM 542 O THR A 38 0.146 -0.688 13.470 1.00 0.00 O ATOM 543 CB THR A 38 -0.749 -3.616 11.787 1.00 0.00 C ATOM 544 OG1 THR A 38 0.229 -4.009 10.838 1.00 0.00 O ATOM 545 CG2 THR A 38 -2.036 -4.324 11.375 1.00 0.00 C ATOM 0 H THR A 38 -0.294 -1.499 9.959 1.00 0.00 H new ATOM 0 HA THR A 38 -1.772 -1.871 12.487 1.00 0.00 H new ATOM 0 HB THR A 38 -0.451 -3.897 12.797 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.161 -3.440 10.043 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.868 -5.401 11.353 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.823 -4.095 12.093 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.338 -3.983 10.385 1.00 0.00 H new ATOM 553 N SER A 39 1.442 -1.432 11.787 1.00 0.00 N ATOM 554 CA SER A 39 2.639 -0.681 12.124 1.00 0.00 C ATOM 555 C SER A 39 3.046 0.176 10.929 1.00 0.00 C ATOM 556 O SER A 39 2.693 -0.131 9.785 1.00 0.00 O ATOM 557 CB SER A 39 3.775 -1.628 12.500 1.00 0.00 C ATOM 558 OG SER A 39 3.462 -2.406 13.632 1.00 0.00 O ATOM 0 H SER A 39 1.570 -2.037 10.976 1.00 0.00 H new ATOM 0 HA SER A 39 2.430 -0.040 12.980 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.993 -2.285 11.658 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.678 -1.050 12.696 1.00 0.00 H new ATOM 0 HG SER A 39 4.214 -3.000 13.839 1.00 0.00 H new ATOM 564 N LEU A 40 3.800 1.245 11.179 1.00 0.00 N ATOM 565 CA LEU A 40 4.210 2.226 10.190 1.00 0.00 C ATOM 566 C LEU A 40 5.520 2.851 10.681 1.00 0.00 C ATOM 567 O LEU A 40 5.526 3.458 11.752 1.00 0.00 O ATOM 568 CB LEU A 40 3.076 3.265 10.034 1.00 0.00 C ATOM 569 CG LEU A 40 2.921 3.815 8.607 1.00 0.00 C ATOM 570 CD1 LEU A 40 1.696 4.733 8.551 1.00 0.00 C ATOM 571 CD2 LEU A 40 4.162 4.568 8.116 1.00 0.00 C ATOM 0 H LEU A 40 4.153 1.455 12.113 1.00 0.00 H new ATOM 0 HA LEU A 40 4.385 1.785 9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.135 2.808 10.340 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.263 4.096 10.714 1.00 0.00 H new ATOM 0 HG LEU A 40 2.792 2.961 7.942 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.582 5.126 7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.805 4.168 8.824 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.829 5.560 9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.990 4.931 7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.360 5.413 8.776 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.020 3.896 8.120 1.00 0.00 H new ATOM 583 N LYS A 41 6.618 2.713 9.930 1.00 0.00 N ATOM 584 CA LYS A 41 7.895 3.377 10.176 1.00 0.00 C ATOM 585 C LYS A 41 8.420 3.899 8.848 1.00 0.00 C ATOM 586 O LYS A 41 9.098 3.183 8.112 1.00 0.00 O ATOM 587 CB LYS A 41 8.927 2.476 10.882 1.00 0.00 C ATOM 588 CG LYS A 41 10.148 3.338 11.255 1.00 0.00 C ATOM 589 CD LYS A 41 11.188 2.664 12.152 1.00 0.00 C ATOM 590 CE LYS A 41 12.146 1.763 11.368 1.00 0.00 C ATOM 591 NZ LYS A 41 13.451 1.641 12.057 1.00 0.00 N ATOM 0 H LYS A 41 6.639 2.113 9.105 1.00 0.00 H new ATOM 0 HA LYS A 41 7.729 4.202 10.868 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.492 2.028 11.775 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.226 1.657 10.228 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.640 3.656 10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.794 4.240 11.755 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.761 3.429 12.676 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.678 2.072 12.912 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.702 0.775 11.246 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.296 2.170 10.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.080 1.025 11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.883 2.582 12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.308 1.230 13.002 1.00 0.00 H new ATOM 605 N GLY A 42 8.137 5.160 8.552 1.00 0.00 N ATOM 606 CA GLY A 42 8.689 5.828 7.389 1.00 0.00 C ATOM 607 C GLY A 42 8.285 5.138 6.086 1.00 0.00 C ATOM 608 O GLY A 42 7.098 4.907 5.858 1.00 0.00 O ATOM 0 H GLY A 42 7.518 5.746 9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.350 6.864 7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.776 5.850 7.466 1.00 0.00 H new ATOM 612 N SER A 43 9.238 4.790 5.214 1.00 0.00 N ATOM 613 CA SER A 43 9.014 4.011 3.989 1.00 0.00 C ATOM 614 C SER A 43 8.691 2.543 4.276 1.00 0.00 C ATOM 615 O SER A 43 9.149 1.661 3.550 1.00 0.00 O ATOM 616 CB SER A 43 10.249 4.118 3.083 1.00 0.00 C ATOM 617 OG SER A 43 11.403 3.669 3.780 1.00 0.00 O ATOM 0 H SER A 43 10.216 5.050 5.344 1.00 0.00 H new ATOM 0 HA SER A 43 8.143 4.431 3.485 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.103 3.521 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.387 5.151 2.762 1.00 0.00 H new ATOM 0 HG SER A 43 12.186 3.739 3.195 1.00 0.00 H new ATOM 623 N LEU A 44 7.963 2.257 5.346 1.00 0.00 N ATOM 624 CA LEU A 44 7.542 0.925 5.714 1.00 0.00 C ATOM 625 C LEU A 44 6.189 1.041 6.395 1.00 0.00 C ATOM 626 O LEU A 44 6.075 1.754 7.388 1.00 0.00 O ATOM 627 CB LEU A 44 8.567 0.281 6.655 1.00 0.00 C ATOM 628 CG LEU A 44 8.333 -1.234 6.783 1.00 0.00 C ATOM 629 CD1 LEU A 44 8.942 -1.986 5.597 1.00 0.00 C ATOM 630 CD2 LEU A 44 8.992 -1.719 8.070 1.00 0.00 C ATOM 0 H LEU A 44 7.642 2.973 5.998 1.00 0.00 H new ATOM 0 HA LEU A 44 7.466 0.292 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.574 0.465 6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.503 0.746 7.639 1.00 0.00 H new ATOM 0 HG LEU A 44 7.260 -1.426 6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.762 -3.055 5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.483 -1.639 4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.016 -1.801 5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.836 -2.792 8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.061 -1.510 8.032 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.551 -1.202 8.922 1.00 0.00 H new ATOM 642 N ALA A 45 5.179 0.339 5.902 1.00 0.00 N ATOM 643 CA ALA A 45 4.006 -0.025 6.685 1.00 0.00 C ATOM 644 C ALA A 45 3.973 -1.544 6.828 1.00 0.00 C ATOM 645 O ALA A 45 4.669 -2.249 6.099 1.00 0.00 O ATOM 646 CB ALA A 45 2.732 0.522 6.033 1.00 0.00 C ATOM 0 H ALA A 45 5.150 0.003 4.939 1.00 0.00 H new ATOM 0 HA ALA A 45 4.061 0.419 7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.866 0.240 6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.792 1.609 5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.630 0.107 5.030 1.00 0.00 H new ATOM 652 N TRP A 46 3.152 -2.037 7.747 1.00 0.00 N ATOM 653 CA TRP A 46 2.797 -3.438 7.924 1.00 0.00 C ATOM 654 C TRP A 46 1.289 -3.549 7.926 1.00 0.00 C ATOM 655 O TRP A 46 0.593 -2.648 8.406 1.00 0.00 O ATOM 656 CB TRP A 46 3.371 -4.007 9.221 1.00 0.00 C ATOM 657 CG TRP A 46 4.730 -4.612 9.096 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.905 -3.947 9.024 1.00 0.00 C ATOM 659 CD2 TRP A 46 5.057 -6.026 8.963 1.00 0.00 C ATOM 660 NE1 TRP A 46 6.934 -4.856 8.859 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.468 -6.148 8.823 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.306 -7.220 8.928 1.00 0.00 C ATOM 663 CZ2 TRP A 46 7.102 -7.383 8.644 1.00 0.00 C ATOM 664 CZ3 TRP A 46 4.934 -8.469 8.766 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.331 -8.555 8.622 1.00 0.00 C ATOM 0 H TRP A 46 2.690 -1.434 8.428 1.00 0.00 H new ATOM 0 HA TRP A 46 3.222 -4.019 7.105 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.411 -3.210 9.964 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.686 -4.764 9.603 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.022 -2.875 9.086 1.00 0.00 H new ATOM 0 HE1 TRP A 46 7.917 -4.599 8.774 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.232 -7.175 9.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 8.174 -7.433 8.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.338 -9.370 8.752 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.806 -9.516 8.495 1.00 0.00 H new ATOM 676 N LEU A 47 0.794 -4.659 7.393 1.00 0.00 N ATOM 677 CA LEU A 47 -0.556 -4.830 6.899 1.00 0.00 C ATOM 678 C LEU A 47 -1.083 -6.190 7.324 1.00 0.00 C ATOM 679 O LEU A 47 -0.292 -7.104 7.563 1.00 0.00 O ATOM 680 CB LEU A 47 -0.531 -4.770 5.361 1.00 0.00 C ATOM 681 CG LEU A 47 0.056 -3.480 4.765 1.00 0.00 C ATOM 682 CD1 LEU A 47 0.057 -3.578 3.245 1.00 0.00 C ATOM 683 CD2 LEU A 47 -0.734 -2.240 5.181 1.00 0.00 C ATOM 0 H LEU A 47 1.356 -5.504 7.291 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.196 -4.045 7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.045 -5.618 4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.550 -4.891 4.992 1.00 0.00 H new ATOM 0 HG LEU A 47 1.072 -3.376 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.473 -2.664 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.663 -4.430 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.964 -3.711 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.282 -1.354 4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.764 -2.333 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.721 -2.147 6.267 1.00 0.00 H new ATOM 695 N GLU A 48 -2.409 -6.331 7.359 1.00 0.00 N ATOM 696 CA GLU A 48 -3.086 -7.558 7.801 1.00 0.00 C ATOM 697 C GLU A 48 -4.284 -7.981 6.935 1.00 0.00 C ATOM 698 O GLU A 48 -5.188 -8.679 7.405 1.00 0.00 O ATOM 699 CB GLU A 48 -3.400 -7.456 9.296 1.00 0.00 C ATOM 700 CG GLU A 48 -4.373 -6.326 9.640 1.00 0.00 C ATOM 701 CD GLU A 48 -4.752 -6.288 11.124 1.00 0.00 C ATOM 702 OE1 GLU A 48 -4.096 -6.954 11.963 1.00 0.00 O ATOM 703 OE2 GLU A 48 -5.722 -5.561 11.450 1.00 0.00 O ATOM 0 H GLU A 48 -3.053 -5.591 7.079 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.394 -8.387 7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.820 -8.403 9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.471 -7.304 9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.925 -5.372 9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.278 -6.440 9.043 1.00 0.00 H new ATOM 710 N LEU A 49 -4.286 -7.602 5.652 1.00 0.00 N ATOM 711 CA LEU A 49 -5.419 -7.759 4.729 1.00 0.00 C ATOM 712 C LEU A 49 -6.716 -7.189 5.334 1.00 0.00 C ATOM 713 O LEU A 49 -6.675 -6.380 6.267 1.00 0.00 O ATOM 714 CB LEU A 49 -5.535 -9.235 4.272 1.00 0.00 C ATOM 715 CG LEU A 49 -4.861 -9.554 2.933 1.00 0.00 C ATOM 716 CD1 LEU A 49 -4.892 -11.062 2.670 1.00 0.00 C ATOM 717 CD2 LEU A 49 -5.603 -8.896 1.762 1.00 0.00 C ATOM 0 H LEU A 49 -3.476 -7.164 5.213 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.238 -7.170 3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.100 -9.873 5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.591 -9.496 4.201 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.840 -9.178 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.410 -11.275 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.362 -11.582 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.926 -11.405 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.099 -9.142 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.629 -9.263 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.609 -7.814 1.897 1.00 0.00 H new ATOM 729 N PHE A 50 -7.862 -7.517 4.738 1.00 0.00 N ATOM 730 CA PHE A 50 -9.175 -7.280 5.311 1.00 0.00 C ATOM 731 C PHE A 50 -10.035 -8.536 5.291 1.00 0.00 C ATOM 732 O PHE A 50 -9.890 -9.378 4.400 1.00 0.00 O ATOM 733 CB PHE A 50 -9.890 -6.150 4.559 1.00 0.00 C ATOM 734 CG PHE A 50 -10.232 -5.029 5.498 1.00 0.00 C ATOM 735 CD1 PHE A 50 -11.371 -5.114 6.315 1.00 0.00 C ATOM 736 CD2 PHE A 50 -9.331 -3.968 5.650 1.00 0.00 C ATOM 737 CE1 PHE A 50 -11.649 -4.102 7.249 1.00 0.00 C ATOM 738 CE2 PHE A 50 -9.587 -2.986 6.617 1.00 0.00 C ATOM 739 CZ PHE A 50 -10.757 -3.030 7.396 1.00 0.00 C ATOM 0 H PHE A 50 -7.898 -7.965 3.822 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.028 -6.988 6.351 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.253 -5.779 3.757 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.798 -6.533 4.093 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.036 -5.960 6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.449 -3.907 5.029 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -12.545 -4.149 7.850 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.877 -2.186 6.766 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.968 -2.242 8.104 1.00 0.00 H new ATOM 781 N GLN A 54 -8.497 -12.710 0.219 1.00 0.00 N ATOM 782 CA GLN A 54 -7.065 -12.994 0.180 1.00 0.00 C ATOM 783 C GLN A 54 -6.612 -13.379 -1.233 1.00 0.00 C ATOM 784 O GLN A 54 -7.439 -13.863 -2.014 1.00 0.00 O ATOM 785 CB GLN A 54 -6.716 -14.085 1.220 1.00 0.00 C ATOM 786 CG GLN A 54 -7.429 -15.438 1.025 1.00 0.00 C ATOM 787 CD GLN A 54 -7.263 -16.413 2.199 1.00 0.00 C ATOM 788 OE1 GLN A 54 -7.995 -17.399 2.290 1.00 0.00 O ATOM 789 NE2 GLN A 54 -6.333 -16.183 3.116 1.00 0.00 N ATOM 0 HA GLN A 54 -6.519 -12.089 0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.639 -14.254 1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.957 -13.706 2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.492 -15.256 0.866 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.048 -15.910 0.119 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.729 -15.365 3.036 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.221 -16.824 3.901 1.00 0.00 H new ATOM 798 N PRO A 55 -5.321 -13.186 -1.561 1.00 0.00 N ATOM 799 CA PRO A 55 -4.739 -13.631 -2.819 1.00 0.00 C ATOM 800 C PRO A 55 -4.725 -15.161 -2.943 1.00 0.00 C ATOM 801 O PRO A 55 -5.003 -15.876 -1.969 1.00 0.00 O ATOM 802 CB PRO A 55 -3.327 -13.033 -2.867 1.00 0.00 C ATOM 803 CG PRO A 55 -3.007 -12.557 -1.461 1.00 0.00 C ATOM 804 CD PRO A 55 -4.344 -12.481 -0.743 1.00 0.00 C ATOM 0 HA PRO A 55 -5.335 -13.292 -3.666 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.603 -13.777 -3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.281 -12.206 -3.576 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.330 -13.247 -0.958 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.515 -11.584 -1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.274 -12.934 0.246 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.643 -11.443 -0.598 1.00 0.00 H new ATOM 812 N PRO A 56 -4.390 -15.696 -4.131 1.00 0.00 N ATOM 813 CA PRO A 56 -4.169 -17.128 -4.280 1.00 0.00 C ATOM 814 C PRO A 56 -2.914 -17.536 -3.480 1.00 0.00 C ATOM 815 O PRO A 56 -2.027 -16.703 -3.269 1.00 0.00 O ATOM 816 CB PRO A 56 -4.032 -17.359 -5.788 1.00 0.00 C ATOM 817 CG PRO A 56 -3.515 -16.028 -6.322 1.00 0.00 C ATOM 818 CD PRO A 56 -4.049 -14.978 -5.358 1.00 0.00 C ATOM 0 HA PRO A 56 -4.980 -17.741 -3.887 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.339 -18.172 -6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.988 -17.625 -6.239 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.426 -16.014 -6.356 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.868 -15.847 -7.337 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.301 -14.209 -5.165 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.923 -14.476 -5.772 1.00 0.00 H new ATOM 826 N PRO A 57 -2.796 -18.800 -3.041 1.00 0.00 N ATOM 827 CA PRO A 57 -1.671 -19.251 -2.229 1.00 0.00 C ATOM 828 C PRO A 57 -0.372 -19.293 -3.033 1.00 0.00 C ATOM 829 O PRO A 57 -0.383 -19.370 -4.270 1.00 0.00 O ATOM 830 CB PRO A 57 -2.059 -20.641 -1.721 1.00 0.00 C ATOM 831 CG PRO A 57 -3.031 -21.149 -2.784 1.00 0.00 C ATOM 832 CD PRO A 57 -3.754 -19.876 -3.219 1.00 0.00 C ATOM 0 HA PRO A 57 -1.479 -18.563 -1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.190 -21.292 -1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.528 -20.593 -0.738 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.509 -21.622 -3.616 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.722 -21.888 -2.380 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.077 -19.945 -4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.648 -19.708 -2.618 1.00 0.00 H new ATOM 840 N ASN A 58 0.754 -19.305 -2.311 1.00 0.00 N ATOM 841 CA ASN A 58 2.123 -19.335 -2.834 1.00 0.00 C ATOM 842 C ASN A 58 2.334 -18.307 -3.961 1.00 0.00 C ATOM 843 O ASN A 58 3.055 -18.579 -4.925 1.00 0.00 O ATOM 844 CB ASN A 58 2.489 -20.752 -3.310 1.00 0.00 C ATOM 845 CG ASN A 58 2.474 -21.858 -2.263 1.00 0.00 C ATOM 846 OD1 ASN A 58 2.191 -21.675 -1.086 1.00 0.00 O ATOM 847 ND2 ASN A 58 2.731 -23.072 -2.704 1.00 0.00 N ATOM 0 H ASN A 58 0.733 -19.293 -1.291 1.00 0.00 H new ATOM 0 HA ASN A 58 2.790 -19.057 -2.018 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.799 -21.030 -4.107 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.486 -20.715 -3.750 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.695 -23.865 -2.064 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.966 -23.219 -3.686 1.00 0.00 H new ATOM 854 N THR A 59 1.671 -17.152 -3.896 1.00 0.00 N ATOM 855 CA THR A 59 1.640 -16.174 -4.982 1.00 0.00 C ATOM 856 C THR A 59 2.014 -14.770 -4.496 1.00 0.00 C ATOM 857 O THR A 59 2.444 -13.951 -5.304 1.00 0.00 O ATOM 858 CB THR A 59 0.269 -16.258 -5.676 1.00 0.00 C ATOM 859 OG1 THR A 59 0.070 -17.557 -6.203 1.00 0.00 O ATOM 860 CG2 THR A 59 0.095 -15.305 -6.848 1.00 0.00 C ATOM 0 H THR A 59 1.134 -16.867 -3.077 1.00 0.00 H new ATOM 0 HA THR A 59 2.403 -16.409 -5.725 1.00 0.00 H new ATOM 0 HB THR A 59 -0.446 -15.992 -4.898 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.184 -18.168 -5.480 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.899 -15.433 -7.276 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.212 -14.278 -6.502 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.847 -15.520 -7.607 1.00 0.00 H new ATOM 868 N LEU A 60 1.939 -14.500 -3.191 1.00 0.00 N ATOM 869 CA LEU A 60 2.723 -13.445 -2.568 1.00 0.00 C ATOM 870 C LEU A 60 4.174 -13.917 -2.412 1.00 0.00 C ATOM 871 O LEU A 60 4.419 -15.083 -2.090 1.00 0.00 O ATOM 872 CB LEU A 60 2.105 -13.078 -1.212 1.00 0.00 C ATOM 873 CG LEU A 60 0.886 -12.146 -1.351 1.00 0.00 C ATOM 874 CD1 LEU A 60 0.128 -12.051 -0.030 1.00 0.00 C ATOM 875 CD2 LEU A 60 1.282 -10.727 -1.792 1.00 0.00 C ATOM 0 H LEU A 60 1.335 -15.007 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 60 2.718 -12.553 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.804 -13.989 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.859 -12.594 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 60 0.251 -12.583 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.729 -11.388 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.218 -13.042 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.789 -11.655 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.388 -10.109 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.956 -10.292 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.783 -10.773 -2.759 1.00 0.00 H new ATOM 887 N SER A 61 5.133 -13.004 -2.594 1.00 0.00 N ATOM 888 CA SER A 61 6.497 -13.107 -2.102 1.00 0.00 C ATOM 889 C SER A 61 6.957 -11.725 -1.629 1.00 0.00 C ATOM 890 O SER A 61 6.343 -10.708 -1.955 1.00 0.00 O ATOM 891 CB SER A 61 7.445 -13.586 -3.202 1.00 0.00 C ATOM 892 OG SER A 61 7.127 -14.864 -3.721 1.00 0.00 O ATOM 0 H SER A 61 4.966 -12.140 -3.110 1.00 0.00 H new ATOM 0 HA SER A 61 6.517 -13.828 -1.284 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.435 -12.862 -4.017 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.461 -13.608 -2.808 1.00 0.00 H new ATOM 0 HG SER A 61 6.338 -15.217 -3.259 1.00 0.00 H new ATOM 898 N GLU A 62 8.095 -11.673 -0.936 1.00 0.00 N ATOM 899 CA GLU A 62 8.610 -10.493 -0.234 1.00 0.00 C ATOM 900 C GLU A 62 9.080 -9.356 -1.150 1.00 0.00 C ATOM 901 O GLU A 62 9.467 -8.283 -0.689 1.00 0.00 O ATOM 902 CB GLU A 62 9.763 -10.867 0.703 1.00 0.00 C ATOM 903 CG GLU A 62 9.539 -12.148 1.507 1.00 0.00 C ATOM 904 CD GLU A 62 10.564 -12.224 2.630 1.00 0.00 C ATOM 905 OE1 GLU A 62 11.746 -12.552 2.359 1.00 0.00 O ATOM 906 OE2 GLU A 62 10.187 -11.924 3.784 1.00 0.00 O ATOM 0 H GLU A 62 8.709 -12.483 -0.844 1.00 0.00 H new ATOM 0 HA GLU A 62 7.753 -10.121 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.672 -10.979 0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.932 -10.043 1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.530 -12.160 1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.629 -13.019 0.858 1.00 0.00 H new ATOM 913 N GLY A 63 9.051 -9.570 -2.458 1.00 0.00 N ATOM 914 CA GLY A 63 9.468 -8.612 -3.460 1.00 0.00 C ATOM 915 C GLY A 63 8.296 -8.115 -4.291 1.00 0.00 C ATOM 916 O GLY A 63 8.525 -7.287 -5.168 1.00 0.00 O ATOM 0 H GLY A 63 8.724 -10.449 -2.860 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.953 -7.766 -2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.209 -9.071 -4.115 1.00 0.00 H new ATOM 920 N ALA A 64 7.073 -8.618 -4.077 1.00 0.00 N ATOM 921 CA ALA A 64 5.989 -8.431 -5.035 1.00 0.00 C ATOM 922 C ALA A 64 5.705 -6.943 -5.185 1.00 0.00 C ATOM 923 O ALA A 64 5.649 -6.229 -4.183 1.00 0.00 O ATOM 924 CB ALA A 64 4.750 -9.230 -4.615 1.00 0.00 C ATOM 0 H ALA A 64 6.815 -9.155 -3.249 1.00 0.00 H new ATOM 0 HA ALA A 64 6.284 -8.816 -6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.954 -9.076 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.999 -10.290 -4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.415 -8.893 -3.634 1.00 0.00 H new ATOM 930 N GLU A 65 5.623 -6.459 -6.424 1.00 0.00 N ATOM 931 CA GLU A 65 5.621 -5.034 -6.748 1.00 0.00 C ATOM 932 C GLU A 65 4.195 -4.518 -6.643 1.00 0.00 C ATOM 933 O GLU A 65 3.467 -4.335 -7.624 1.00 0.00 O ATOM 934 CB GLU A 65 6.192 -4.795 -8.135 1.00 0.00 C ATOM 935 CG GLU A 65 7.642 -5.261 -8.227 1.00 0.00 C ATOM 936 CD GLU A 65 8.165 -5.237 -9.666 1.00 0.00 C ATOM 937 OE1 GLU A 65 7.951 -6.233 -10.387 1.00 0.00 O ATOM 938 OE2 GLU A 65 8.841 -4.241 -10.038 1.00 0.00 O ATOM 0 H GLU A 65 5.555 -7.059 -7.246 1.00 0.00 H new ATOM 0 HA GLU A 65 6.255 -4.494 -6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.590 -5.324 -8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.133 -3.734 -8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.268 -4.622 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.723 -6.273 -7.829 1.00 0.00 H new ATOM 945 N VAL A 66 3.780 -4.417 -5.400 1.00 0.00 N ATOM 946 CA VAL A 66 2.439 -3.978 -5.038 1.00 0.00 C ATOM 947 C VAL A 66 2.302 -2.467 -5.276 1.00 0.00 C ATOM 948 O VAL A 66 3.285 -1.729 -5.174 1.00 0.00 O ATOM 949 CB VAL A 66 2.099 -4.400 -3.599 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.212 -5.923 -3.467 1.00 0.00 C ATOM 951 CG2 VAL A 66 2.992 -3.743 -2.546 1.00 0.00 C ATOM 0 H VAL A 66 4.368 -4.639 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 66 1.705 -4.469 -5.678 1.00 0.00 H new ATOM 0 HB VAL A 66 1.079 -4.064 -3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.970 -6.219 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.517 -6.401 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.229 -6.234 -3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.697 -4.085 -1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.031 -4.015 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.885 -2.660 -2.603 1.00 0.00 H new ATOM 961 N SER A 67 1.089 -1.972 -5.514 1.00 0.00 N ATOM 962 CA SER A 67 0.804 -0.561 -5.659 1.00 0.00 C ATOM 963 C SER A 67 -0.436 -0.222 -4.839 1.00 0.00 C ATOM 964 O SER A 67 -1.478 -0.876 -4.952 1.00 0.00 O ATOM 965 CB SER A 67 0.574 -0.256 -7.128 1.00 0.00 C ATOM 966 OG SER A 67 1.603 -0.773 -7.960 1.00 0.00 O ATOM 0 H SER A 67 0.263 -2.562 -5.612 1.00 0.00 H new ATOM 0 HA SER A 67 1.640 0.040 -5.300 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.383 -0.676 -7.437 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.508 0.823 -7.265 1.00 0.00 H new ATOM 0 HG SER A 67 1.409 -0.553 -8.895 1.00 0.00 H new ATOM 972 N VAL A 68 -0.312 0.794 -3.999 1.00 0.00 N ATOM 973 CA VAL A 68 -1.283 1.185 -2.994 1.00 0.00 C ATOM 974 C VAL A 68 -2.188 2.278 -3.536 1.00 0.00 C ATOM 975 O VAL A 68 -1.940 2.813 -4.617 1.00 0.00 O ATOM 976 CB VAL A 68 -0.570 1.605 -1.690 1.00 0.00 C ATOM 977 CG1 VAL A 68 0.559 0.652 -1.263 1.00 0.00 C ATOM 978 CG2 VAL A 68 -0.064 3.023 -1.700 1.00 0.00 C ATOM 0 H VAL A 68 0.511 1.397 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.916 0.331 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.362 1.540 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.011 1.014 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.151 -0.346 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.316 0.611 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.424 3.242 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.651 3.148 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.900 3.707 -1.844 1.00 0.00 H new ATOM 988 N SER A 69 -3.183 2.667 -2.746 1.00 0.00 N ATOM 989 CA SER A 69 -3.784 3.982 -2.755 1.00 0.00 C ATOM 990 C SER A 69 -4.385 4.230 -1.376 1.00 0.00 C ATOM 991 O SER A 69 -4.635 3.257 -0.651 1.00 0.00 O ATOM 992 CB SER A 69 -4.841 4.033 -3.859 1.00 0.00 C ATOM 993 OG SER A 69 -6.012 3.320 -3.526 1.00 0.00 O ATOM 0 H SER A 69 -3.605 2.045 -2.057 1.00 0.00 H new ATOM 0 HA SER A 69 -3.052 4.762 -2.962 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.099 5.073 -4.061 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.421 3.624 -4.778 1.00 0.00 H new ATOM 0 HG SER A 69 -6.655 3.385 -4.262 1.00 0.00 H new ATOM 999 N VAL A 70 -4.672 5.485 -1.016 1.00 0.00 N ATOM 1000 CA VAL A 70 -5.606 5.805 0.051 1.00 0.00 C ATOM 1001 C VAL A 70 -6.139 7.218 -0.141 1.00 0.00 C ATOM 1002 O VAL A 70 -5.413 8.117 -0.563 1.00 0.00 O ATOM 1003 CB VAL A 70 -4.978 5.586 1.442 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -3.747 6.435 1.752 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -6.032 5.823 2.517 1.00 0.00 C ATOM 0 H VAL A 70 -4.259 6.304 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.453 5.120 0.000 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.624 4.555 1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.387 6.201 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.964 6.219 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.011 7.491 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.589 5.668 3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.404 6.845 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.858 5.125 2.377 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.417 7.413 0.176 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.089 8.695 0.120 1.00 0.00 C ATOM 1017 C TRP A 71 -7.929 9.363 1.483 1.00 0.00 C ATOM 1018 O TRP A 71 -8.394 8.820 2.494 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.558 8.489 -0.266 1.00 0.00 C ATOM 1020 CG TRP A 71 -9.748 7.893 -1.633 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -9.573 6.587 -1.927 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -10.043 8.541 -2.912 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -9.679 6.391 -3.284 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -9.976 7.561 -3.945 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -10.294 9.866 -3.323 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -10.112 7.892 -5.301 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.530 10.203 -4.669 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -10.381 9.222 -5.663 1.00 0.00 C ATOM 0 H TRP A 71 -8.026 6.656 0.487 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.654 9.345 -0.639 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.030 7.840 0.472 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.073 9.449 -0.223 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -9.378 5.810 -1.203 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -9.553 5.489 -3.744 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.306 10.649 -2.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.011 7.131 -6.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.823 11.208 -4.935 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -10.473 9.490 -6.705 1.00 0.00 H new ATOM 1039 N THR A 72 -7.251 10.509 1.508 1.00 0.00 N ATOM 1040 CA THR A 72 -7.125 11.385 2.662 1.00 0.00 C ATOM 1041 C THR A 72 -7.316 12.831 2.174 1.00 0.00 C ATOM 1042 O THR A 72 -7.329 13.082 0.959 1.00 0.00 O ATOM 1043 CB THR A 72 -5.783 11.121 3.383 1.00 0.00 C ATOM 1044 OG1 THR A 72 -5.751 11.791 4.623 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.551 11.565 2.589 1.00 0.00 C ATOM 0 H THR A 72 -6.756 10.863 0.690 1.00 0.00 H new ATOM 0 HA THR A 72 -7.891 11.190 3.413 1.00 0.00 H new ATOM 0 HB THR A 72 -5.736 10.039 3.505 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.897 11.613 5.069 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.650 11.346 3.162 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.517 11.029 1.640 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.608 12.637 2.398 1.00 0.00 H new ATOM 1053 N GLY A 73 -7.436 13.792 3.091 1.00 0.00 N ATOM 1054 CA GLY A 73 -7.619 15.201 2.768 1.00 0.00 C ATOM 1055 C GLY A 73 -8.876 15.391 1.926 1.00 0.00 C ATOM 1056 O GLY A 73 -9.984 15.207 2.439 1.00 0.00 O ATOM 0 H GLY A 73 -7.408 13.607 4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.696 15.785 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.750 15.573 2.225 1.00 0.00 H new ATOM 1060 N GLY A 74 -8.708 15.685 0.635 1.00 0.00 N ATOM 1061 CA GLY A 74 -9.775 15.849 -0.339 1.00 0.00 C ATOM 1062 C GLY A 74 -9.322 15.474 -1.753 1.00 0.00 C ATOM 1063 O GLY A 74 -9.783 16.093 -2.715 1.00 0.00 O ATOM 0 H GLY A 74 -7.782 15.820 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.625 15.229 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.118 16.884 -0.330 1.00 0.00 H new ATOM 1067 N ALA A 75 -8.409 14.509 -1.903 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.999 13.932 -3.183 1.00 0.00 C ATOM 1069 C ALA A 75 -7.544 12.487 -2.950 1.00 0.00 C ATOM 1070 O ALA A 75 -7.716 11.954 -1.845 1.00 0.00 O ATOM 1071 CB ALA A 75 -6.883 14.784 -3.810 1.00 0.00 C ATOM 0 H ALA A 75 -7.920 14.096 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.836 13.925 -3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.584 14.347 -4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.248 15.798 -3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.025 14.812 -3.138 1.00 0.00 H new ATOM 1077 N LEU A 76 -6.942 11.850 -3.958 1.00 0.00 N ATOM 1078 CA LEU A 76 -6.319 10.537 -3.874 1.00 0.00 C ATOM 1079 C LEU A 76 -4.822 10.642 -4.152 1.00 0.00 C ATOM 1080 O LEU A 76 -4.377 11.080 -5.213 1.00 0.00 O ATOM 1081 CB LEU A 76 -7.011 9.602 -4.858 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.658 8.110 -4.784 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -5.535 7.734 -5.718 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -6.437 7.575 -3.377 1.00 0.00 C ATOM 0 H LEU A 76 -6.876 12.256 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.431 10.132 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.087 9.701 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.789 9.951 -5.867 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.558 7.604 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.326 6.668 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.825 7.959 -6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.642 8.303 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.193 6.514 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.615 8.115 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.344 7.712 -2.789 1.00 0.00 H new ATOM 1096 N CYS A 77 -4.051 10.196 -3.175 1.00 0.00 N ATOM 1097 CA CYS A 77 -2.610 10.020 -3.222 1.00 0.00 C ATOM 1098 C CYS A 77 -2.430 8.512 -3.365 1.00 0.00 C ATOM 1099 O CYS A 77 -3.053 7.767 -2.603 1.00 0.00 O ATOM 1100 CB CYS A 77 -1.993 10.567 -1.916 1.00 0.00 C ATOM 1101 SG CYS A 77 -0.892 11.978 -2.189 1.00 0.00 S ATOM 0 H CYS A 77 -4.440 9.930 -2.270 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.118 10.553 -4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.794 10.864 -1.239 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.437 9.770 -1.422 1.00 0.00 H new ATOM 0 HG CYS A 77 -0.018 12.039 -1.228 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.646 8.027 -4.329 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.383 6.585 -4.465 1.00 0.00 C ATOM 1109 C ARG A 78 0.111 6.385 -4.616 1.00 0.00 C ATOM 1110 O ARG A 78 0.814 7.368 -4.874 1.00 0.00 O ATOM 1111 CB ARG A 78 -2.228 5.955 -5.586 1.00 0.00 C ATOM 1112 CG ARG A 78 -1.577 5.795 -6.965 1.00 0.00 C ATOM 1113 CD ARG A 78 -0.979 4.407 -7.254 1.00 0.00 C ATOM 1114 NE ARG A 78 -0.765 4.183 -8.696 1.00 0.00 N ATOM 1115 CZ ARG A 78 -1.688 3.998 -9.652 1.00 0.00 C ATOM 1116 NH1 ARG A 78 -2.968 3.871 -9.319 1.00 0.00 N ATOM 1117 NH2 ARG A 78 -1.327 3.967 -10.928 1.00 0.00 N ATOM 0 H ARG A 78 -1.181 8.606 -5.028 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.698 6.051 -3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.549 4.969 -5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.127 6.559 -5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.323 6.017 -7.728 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.788 6.540 -7.064 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.030 4.305 -6.727 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.645 3.638 -6.863 1.00 0.00 H new ATOM 0 HE ARG A 78 0.207 4.167 -9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.247 3.914 -8.339 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.672 3.730 -10.044 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.346 4.084 -11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.030 3.826 -11.654 1.00 0.00 H new ATOM 1131 N CYS A 79 0.597 5.155 -4.436 1.00 0.00 N ATOM 1132 CA CYS A 79 2.046 4.952 -4.451 1.00 0.00 C ATOM 1133 C CYS A 79 2.434 3.569 -4.965 1.00 0.00 C ATOM 1134 O CYS A 79 1.692 2.606 -4.768 1.00 0.00 O ATOM 1135 CB CYS A 79 2.527 5.241 -3.017 1.00 0.00 C ATOM 1136 SG CYS A 79 4.269 4.930 -2.643 1.00 0.00 S ATOM 0 H CYS A 79 0.036 4.317 -4.284 1.00 0.00 H new ATOM 0 HA CYS A 79 2.538 5.626 -5.153 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.317 6.288 -2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.924 4.644 -2.333 1.00 0.00 H new ATOM 0 HG CYS A 79 4.677 3.891 -3.309 1.00 0.00 H new ATOM 1142 N ASP A 80 3.590 3.490 -5.621 1.00 0.00 N ATOM 1143 CA ASP A 80 4.268 2.251 -5.989 1.00 0.00 C ATOM 1144 C ASP A 80 5.005 1.732 -4.758 1.00 0.00 C ATOM 1145 O ASP A 80 5.604 2.505 -4.005 1.00 0.00 O ATOM 1146 CB ASP A 80 5.353 2.513 -7.046 1.00 0.00 C ATOM 1147 CG ASP A 80 4.831 2.883 -8.430 1.00 0.00 C ATOM 1148 OD1 ASP A 80 4.106 2.064 -9.045 1.00 0.00 O ATOM 1149 OD2 ASP A 80 5.218 3.954 -8.948 1.00 0.00 O ATOM 0 H ASP A 80 4.099 4.321 -5.922 1.00 0.00 H new ATOM 0 HA ASP A 80 3.523 1.553 -6.371 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.998 3.317 -6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.974 1.622 -7.135 1.00 0.00 H new ATOM 1154 N GLY A 81 5.063 0.419 -4.583 1.00 0.00 N ATOM 1155 CA GLY A 81 5.867 -0.193 -3.544 1.00 0.00 C ATOM 1156 C GLY A 81 6.361 -1.576 -3.943 1.00 0.00 C ATOM 1157 O GLY A 81 6.292 -1.977 -5.108 1.00 0.00 O ATOM 0 H GLY A 81 4.552 -0.249 -5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.721 0.447 -3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.280 -0.268 -2.629 1.00 0.00 H new ATOM 1161 N ARG A 82 6.920 -2.287 -2.968 1.00 0.00 N ATOM 1162 CA ARG A 82 7.160 -3.731 -2.994 1.00 0.00 C ATOM 1163 C ARG A 82 6.784 -4.266 -1.607 1.00 0.00 C ATOM 1164 O ARG A 82 6.599 -3.459 -0.693 1.00 0.00 O ATOM 1165 CB ARG A 82 8.604 -4.092 -3.340 1.00 0.00 C ATOM 1166 CG ARG A 82 8.942 -3.635 -4.764 1.00 0.00 C ATOM 1167 CD ARG A 82 10.225 -4.302 -5.208 1.00 0.00 C ATOM 1168 NE ARG A 82 10.807 -3.638 -6.380 1.00 0.00 N ATOM 1169 CZ ARG A 82 12.036 -3.832 -6.860 1.00 0.00 C ATOM 1170 NH1 ARG A 82 12.825 -4.770 -6.349 1.00 0.00 N ATOM 1171 NH2 ARG A 82 12.462 -3.063 -7.849 1.00 0.00 N ATOM 0 H ARG A 82 7.233 -1.855 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 82 6.555 -4.184 -3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.284 -3.622 -2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.747 -5.169 -3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.130 -3.892 -5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.052 -2.551 -4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.944 -4.289 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.028 -5.348 -5.443 1.00 0.00 H new ATOM 0 HE ARG A 82 10.218 -2.967 -6.873 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.493 -5.352 -5.580 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.763 -4.908 -6.725 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.854 -2.338 -8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.399 -3.195 -8.230 1.00 0.00 H new ATOM 1185 N VAL A 83 6.697 -5.584 -1.432 1.00 0.00 N ATOM 1186 CA VAL A 83 6.291 -6.202 -0.168 1.00 0.00 C ATOM 1187 C VAL A 83 7.313 -6.011 0.964 1.00 0.00 C ATOM 1188 O VAL A 83 6.923 -5.966 2.118 1.00 0.00 O ATOM 1189 CB VAL A 83 5.924 -7.677 -0.420 1.00 0.00 C ATOM 1190 CG1 VAL A 83 5.795 -8.534 0.840 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.578 -7.760 -1.152 1.00 0.00 C ATOM 0 H VAL A 83 6.907 -6.259 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 83 5.404 -5.684 0.198 1.00 0.00 H new ATOM 0 HB VAL A 83 6.754 -8.071 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.535 -9.555 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.743 -8.536 1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.015 -8.123 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.323 -8.805 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.803 -7.295 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.650 -7.239 -2.107 1.00 0.00 H new ATOM 1201 N GLU A 84 8.603 -5.854 0.679 1.00 0.00 N ATOM 1202 CA GLU A 84 9.695 -5.735 1.657 1.00 0.00 C ATOM 1203 C GLU A 84 9.953 -7.032 2.445 1.00 0.00 C ATOM 1204 O GLU A 84 11.042 -7.599 2.329 1.00 0.00 O ATOM 1205 CB GLU A 84 9.464 -4.510 2.562 1.00 0.00 C ATOM 1206 CG GLU A 84 10.741 -3.907 3.166 1.00 0.00 C ATOM 1207 CD GLU A 84 11.176 -4.421 4.543 1.00 0.00 C ATOM 1208 OE1 GLU A 84 10.494 -5.229 5.204 1.00 0.00 O ATOM 1209 OE2 GLU A 84 12.242 -3.937 4.999 1.00 0.00 O ATOM 0 H GLU A 84 8.937 -5.803 -0.283 1.00 0.00 H new ATOM 0 HA GLU A 84 10.619 -5.571 1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.953 -3.740 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.795 -4.796 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.559 -4.080 2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.604 -2.828 3.236 1.00 0.00 H new ATOM 1216 N THR A 85 8.980 -7.501 3.226 1.00 0.00 N ATOM 1217 CA THR A 85 9.046 -8.680 4.085 1.00 0.00 C ATOM 1218 C THR A 85 7.629 -9.255 4.148 1.00 0.00 C ATOM 1219 O THR A 85 6.675 -8.522 4.412 1.00 0.00 O ATOM 1220 CB THR A 85 9.562 -8.271 5.483 1.00 0.00 C ATOM 1221 OG1 THR A 85 10.880 -7.763 5.422 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.584 -9.423 6.487 1.00 0.00 C ATOM 0 H THR A 85 8.072 -7.040 3.278 1.00 0.00 H new ATOM 0 HA THR A 85 9.734 -9.432 3.699 1.00 0.00 H new ATOM 0 HB THR A 85 8.856 -7.511 5.818 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.887 -6.833 5.731 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.957 -9.063 7.446 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.575 -9.814 6.614 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.236 -10.215 6.118 1.00 0.00 H new ATOM 1230 N LEU A 86 7.466 -10.555 3.895 1.00 0.00 N ATOM 1231 CA LEU A 86 6.180 -11.238 4.008 1.00 0.00 C ATOM 1232 C LEU A 86 6.237 -12.144 5.216 1.00 0.00 C ATOM 1233 O LEU A 86 7.259 -12.785 5.463 1.00 0.00 O ATOM 1234 CB LEU A 86 5.878 -12.066 2.757 1.00 0.00 C ATOM 1235 CG LEU A 86 4.373 -12.371 2.618 1.00 0.00 C ATOM 1236 CD1 LEU A 86 3.749 -11.355 1.664 1.00 0.00 C ATOM 1237 CD2 LEU A 86 4.091 -13.776 2.093 1.00 0.00 C ATOM 0 H LEU A 86 8.229 -11.166 3.604 1.00 0.00 H new ATOM 0 HA LEU A 86 5.387 -10.498 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.222 -11.528 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.436 -13.002 2.798 1.00 0.00 H new ATOM 0 HG LEU A 86 3.939 -12.306 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.684 -11.562 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.886 -10.350 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.231 -11.427 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.014 -13.927 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.543 -13.894 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.514 -14.512 2.777 1.00 0.00 H new ATOM 1249 N ARG A 87 5.155 -12.219 5.980 1.00 0.00 N ATOM 1250 CA ARG A 87 5.123 -13.002 7.216 1.00 0.00 C ATOM 1251 C ARG A 87 4.148 -14.146 7.101 1.00 0.00 C ATOM 1252 O ARG A 87 4.548 -15.283 7.356 1.00 0.00 O ATOM 1253 CB ARG A 87 4.880 -12.112 8.437 1.00 0.00 C ATOM 1254 CG ARG A 87 4.732 -12.908 9.745 1.00 0.00 C ATOM 1255 CD ARG A 87 5.219 -12.071 10.930 1.00 0.00 C ATOM 1256 NE ARG A 87 6.686 -12.091 11.050 1.00 0.00 N ATOM 1257 CZ ARG A 87 7.423 -11.289 11.821 1.00 0.00 C ATOM 1258 NH1 ARG A 87 6.854 -10.391 12.612 1.00 0.00 N ATOM 1259 NH2 ARG A 87 8.741 -11.399 11.788 1.00 0.00 N ATOM 0 H ARG A 87 4.278 -11.744 5.766 1.00 0.00 H new ATOM 0 HA ARG A 87 6.105 -13.450 7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.708 -11.410 8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.979 -11.521 8.275 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.689 -13.189 9.893 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.305 -13.833 9.683 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.878 -11.042 10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.774 -12.451 11.850 1.00 0.00 H new ATOM 0 HE ARG A 87 7.186 -12.783 10.491 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.838 -10.305 12.638 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.432 -9.786 13.195 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.180 -12.090 11.179 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.318 -10.793 12.371 1.00 0.00 H new ATOM 1273 N ASP A 88 2.915 -13.856 6.724 1.00 0.00 N ATOM 1274 CA ASP A 88 1.864 -14.827 6.491 1.00 0.00 C ATOM 1275 C ASP A 88 1.150 -14.385 5.222 1.00 0.00 C ATOM 1276 O ASP A 88 1.290 -13.237 4.796 1.00 0.00 O ATOM 1277 CB ASP A 88 0.862 -14.840 7.650 1.00 0.00 C ATOM 1278 CG ASP A 88 1.435 -15.250 9.009 1.00 0.00 C ATOM 1279 OD1 ASP A 88 1.995 -16.363 9.153 1.00 0.00 O ATOM 1280 OD2 ASP A 88 1.198 -14.532 9.998 1.00 0.00 O ATOM 0 H ASP A 88 2.607 -12.896 6.566 1.00 0.00 H new ATOM 0 HA ASP A 88 2.283 -15.829 6.403 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.427 -13.845 7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.049 -15.521 7.397 1.00 0.00 H new ATOM 1285 N ASP A 89 0.277 -15.235 4.686 1.00 0.00 N ATOM 1286 CA ASP A 89 -0.507 -14.926 3.482 1.00 0.00 C ATOM 1287 C ASP A 89 -1.425 -13.716 3.690 1.00 0.00 C ATOM 1288 O ASP A 89 -1.868 -13.111 2.713 1.00 0.00 O ATOM 1289 CB ASP A 89 -1.345 -16.133 3.035 1.00 0.00 C ATOM 1290 CG ASP A 89 -0.531 -17.161 2.250 1.00 0.00 C ATOM 1291 OD1 ASP A 89 0.357 -17.805 2.843 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -0.836 -17.401 1.051 1.00 0.00 O ATOM 0 H ASP A 89 0.090 -16.161 5.072 1.00 0.00 H new ATOM 0 HA ASP A 89 0.212 -14.682 2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.779 -16.613 3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.174 -15.786 2.419 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.700 -13.333 4.948 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.424 -12.105 5.258 1.00 0.00 C ATOM 1299 C ARG A 90 -1.584 -11.016 5.912 1.00 0.00 C ATOM 1300 O ARG A 90 -2.060 -9.889 5.937 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.722 -12.387 6.040 1.00 0.00 C ATOM 1302 CG ARG A 90 -3.495 -12.889 7.468 1.00 0.00 C ATOM 1303 CD ARG A 90 -4.773 -12.840 8.314 1.00 0.00 C ATOM 1304 NE ARG A 90 -5.595 -14.045 8.145 1.00 0.00 N ATOM 1305 CZ ARG A 90 -6.925 -14.170 8.205 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -7.758 -13.140 8.116 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -7.419 -15.390 8.358 1.00 0.00 N ATOM 0 H ARG A 90 -1.425 -13.869 5.771 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.699 -11.690 4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.316 -11.474 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.308 -13.127 5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.123 -13.913 7.436 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.723 -12.284 7.945 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.507 -12.728 9.365 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.357 -11.962 8.037 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.081 -14.905 7.956 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.391 -12.196 7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.765 -13.293 8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.790 -16.190 8.425 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.428 -15.529 8.408 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.393 -11.300 6.450 1.00 0.00 N ATOM 1322 CA GLN A 91 0.359 -10.335 7.239 1.00 0.00 C ATOM 1323 C GLN A 91 1.703 -10.093 6.579 1.00 0.00 C ATOM 1324 O GLN A 91 2.461 -11.041 6.365 1.00 0.00 O ATOM 1325 CB GLN A 91 0.584 -10.814 8.673 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.686 -11.232 9.426 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.451 -11.261 10.931 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -0.983 -10.437 11.669 1.00 0.00 O ATOM 1329 NE2 GLN A 91 0.335 -12.203 11.416 1.00 0.00 N ATOM 0 H GLN A 91 0.070 -12.203 6.348 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.223 -9.415 7.283 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.271 -11.660 8.654 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.074 -10.018 9.233 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.494 -10.538 9.195 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.006 -12.217 9.086 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.768 -12.879 10.787 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.509 -12.255 12.420 1.00 0.00 H new ATOM 1338 N PHE A 92 2.005 -8.842 6.257 1.00 0.00 N ATOM 1339 CA PHE A 92 3.212 -8.492 5.522 1.00 0.00 C ATOM 1340 C PHE A 92 3.491 -6.996 5.588 1.00 0.00 C ATOM 1341 O PHE A 92 2.632 -6.211 5.991 1.00 0.00 O ATOM 1342 CB PHE A 92 3.087 -8.984 4.073 1.00 0.00 C ATOM 1343 CG PHE A 92 1.774 -8.702 3.354 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.559 -7.469 2.714 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.777 -9.699 3.288 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.370 -7.234 2.004 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.428 -9.457 2.603 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.630 -8.222 1.961 1.00 0.00 C ATOM 0 H PHE A 92 1.420 -8.042 6.498 1.00 0.00 H new ATOM 0 HA PHE A 92 4.065 -8.986 5.986 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.893 -8.535 3.493 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.251 -10.062 4.067 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.313 -6.698 2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.940 -10.654 3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.224 -6.295 1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.195 -10.217 2.570 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.554 -8.032 1.435 1.00 0.00 H new ATOM 1358 N ALA A 93 4.707 -6.609 5.216 1.00 0.00 N ATOM 1359 CA ALA A 93 5.134 -5.228 5.098 1.00 0.00 C ATOM 1360 C ALA A 93 4.762 -4.664 3.721 1.00 0.00 C ATOM 1361 O ALA A 93 4.290 -5.389 2.847 1.00 0.00 O ATOM 1362 CB ALA A 93 6.644 -5.166 5.330 1.00 0.00 C ATOM 0 H ALA A 93 5.444 -7.274 4.982 1.00 0.00 H new ATOM 0 HA ALA A 93 4.628 -4.617 5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.983 -4.134 5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.875 -5.543 6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.152 -5.777 4.584 1.00 0.00 H new ATOM 1368 N ILE A 94 5.024 -3.372 3.504 1.00 0.00 N ATOM 1369 CA ILE A 94 5.232 -2.765 2.201 1.00 0.00 C ATOM 1370 C ILE A 94 6.284 -1.664 2.326 1.00 0.00 C ATOM 1371 O ILE A 94 6.329 -0.965 3.338 1.00 0.00 O ATOM 1372 CB ILE A 94 3.932 -2.171 1.624 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.121 -1.335 2.639 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.081 -3.272 0.986 1.00 0.00 C ATOM 1375 CD1 ILE A 94 2.057 -0.457 1.972 1.00 0.00 C ATOM 0 H ILE A 94 5.098 -2.699 4.267 1.00 0.00 H new ATOM 0 HA ILE A 94 5.569 -3.544 1.517 1.00 0.00 H new ATOM 0 HB ILE A 94 4.231 -1.463 0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.638 -2.005 3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.802 -0.703 3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.166 -2.837 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.643 -3.746 0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.827 -4.018 1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.520 0.107 2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.538 0.235 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.356 -1.087 1.425 1.00 0.00 H new ATOM 1387 N ARG A 95 7.071 -1.442 1.272 1.00 0.00 N ATOM 1388 CA ARG A 95 8.071 -0.380 1.161 1.00 0.00 C ATOM 1389 C ARG A 95 7.678 0.561 0.046 1.00 0.00 C ATOM 1390 O ARG A 95 7.688 0.174 -1.124 1.00 0.00 O ATOM 1391 CB ARG A 95 9.447 -0.988 0.897 1.00 0.00 C ATOM 1392 CG ARG A 95 10.565 0.063 0.984 1.00 0.00 C ATOM 1393 CD ARG A 95 11.572 -0.361 2.056 1.00 0.00 C ATOM 1394 NE ARG A 95 12.420 -1.463 1.566 1.00 0.00 N ATOM 1395 CZ ARG A 95 13.516 -1.319 0.815 1.00 0.00 C ATOM 1396 NH1 ARG A 95 13.981 -0.111 0.527 1.00 0.00 N ATOM 1397 NH2 ARG A 95 14.146 -2.383 0.337 1.00 0.00 N ATOM 0 H ARG A 95 7.026 -2.024 0.435 1.00 0.00 H new ATOM 0 HA ARG A 95 8.119 0.181 2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.638 -1.781 1.620 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.457 -1.448 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.063 0.162 0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.145 1.039 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.196 0.489 2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.043 -0.675 2.956 1.00 0.00 H new ATOM 0 HE ARG A 95 12.148 -2.412 1.821 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.501 0.717 0.879 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.818 -0.010 -0.047 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.795 -3.318 0.542 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.982 -2.266 -0.236 1.00 0.00 H new ATOM 1411 N LEU A 96 7.330 1.781 0.442 1.00 0.00 N ATOM 1412 CA LEU A 96 6.845 2.849 -0.417 1.00 0.00 C ATOM 1413 C LEU A 96 8.025 3.427 -1.185 1.00 0.00 C ATOM 1414 O LEU A 96 9.007 3.826 -0.553 1.00 0.00 O ATOM 1415 CB LEU A 96 6.222 3.953 0.458 1.00 0.00 C ATOM 1416 CG LEU A 96 5.151 3.463 1.450 1.00 0.00 C ATOM 1417 CD1 LEU A 96 4.643 4.665 2.239 1.00 0.00 C ATOM 1418 CD2 LEU A 96 4.001 2.734 0.753 1.00 0.00 C ATOM 0 H LEU A 96 7.382 2.063 1.421 1.00 0.00 H new ATOM 0 HA LEU A 96 6.098 2.465 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.017 4.446 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.777 4.705 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 96 5.602 2.734 2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.882 4.339 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.472 5.122 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.211 5.394 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.273 2.409 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.520 3.408 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.390 1.865 0.222 1.00 0.00 H new ATOM 1430 N VAL A 97 7.947 3.492 -2.512 1.00 0.00 N ATOM 1431 CA VAL A 97 9.012 4.047 -3.336 1.00 0.00 C ATOM 1432 C VAL A 97 8.461 5.061 -4.338 1.00 0.00 C ATOM 1433 O VAL A 97 7.269 5.104 -4.637 1.00 0.00 O ATOM 1434 CB VAL A 97 9.810 2.909 -4.011 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.572 2.083 -2.968 1.00 0.00 C ATOM 1436 CG2 VAL A 97 8.975 1.976 -4.900 1.00 0.00 C ATOM 0 H VAL A 97 7.142 3.161 -3.044 1.00 0.00 H new ATOM 0 HA VAL A 97 9.707 4.595 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 97 10.507 3.416 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 97 11.126 1.288 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.267 2.728 -2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.865 1.645 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.620 1.210 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.198 1.502 -4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.514 2.553 -5.701 1.00 0.00 H new ATOM 1446 N GLY A 98 9.344 5.896 -4.877 1.00 0.00 N ATOM 1447 CA GLY A 98 9.069 6.737 -6.031 1.00 0.00 C ATOM 1448 C GLY A 98 8.252 7.991 -5.736 1.00 0.00 C ATOM 1449 O GLY A 98 7.878 8.673 -6.685 1.00 0.00 O ATOM 0 H GLY A 98 10.291 6.007 -4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.017 7.036 -6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.539 6.143 -6.776 1.00 0.00 H new ATOM 1453 N ARG A 99 8.014 8.300 -4.454 1.00 0.00 N ATOM 1454 CA ARG A 99 7.267 9.432 -3.918 1.00 0.00 C ATOM 1455 C ARG A 99 5.761 9.258 -4.128 1.00 0.00 C ATOM 1456 O ARG A 99 5.298 8.873 -5.200 1.00 0.00 O ATOM 1457 CB ARG A 99 7.818 10.748 -4.500 1.00 0.00 C ATOM 1458 CG ARG A 99 7.744 11.924 -3.524 1.00 0.00 C ATOM 1459 CD ARG A 99 6.359 12.559 -3.453 1.00 0.00 C ATOM 1460 NE ARG A 99 6.403 14.032 -3.444 1.00 0.00 N ATOM 1461 CZ ARG A 99 6.448 14.814 -4.531 1.00 0.00 C ATOM 1462 NH1 ARG A 99 6.531 14.301 -5.750 1.00 0.00 N ATOM 1463 NH2 ARG A 99 6.433 16.131 -4.407 1.00 0.00 N ATOM 0 H ARG A 99 8.373 7.708 -3.705 1.00 0.00 H new ATOM 0 HA ARG A 99 7.407 9.476 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.856 10.598 -4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.260 10.999 -5.402 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.031 11.581 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.469 12.681 -3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.767 12.223 -4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.851 12.210 -2.554 1.00 0.00 H new ATOM 0 HE ARG A 99 6.399 14.495 -2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.562 13.289 -5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.564 14.918 -6.562 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.387 16.556 -3.481 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.467 16.722 -5.238 1.00 0.00 H new ATOM 1477 N VAL A 100 4.989 9.555 -3.085 1.00 0.00 N ATOM 1478 CA VAL A 100 3.534 9.562 -3.139 1.00 0.00 C ATOM 1479 C VAL A 100 3.125 10.950 -3.623 1.00 0.00 C ATOM 1480 O VAL A 100 3.564 11.920 -3.007 1.00 0.00 O ATOM 1481 CB VAL A 100 2.907 9.315 -1.746 1.00 0.00 C ATOM 1482 CG1 VAL A 100 1.407 9.000 -1.867 1.00 0.00 C ATOM 1483 CG2 VAL A 100 3.576 8.237 -0.886 1.00 0.00 C ATOM 0 H VAL A 100 5.364 9.800 -2.169 1.00 0.00 H new ATOM 0 HA VAL A 100 3.187 8.768 -3.800 1.00 0.00 H new ATOM 0 HB VAL A 100 3.075 10.255 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.990 8.830 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.896 9.840 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.271 8.106 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.051 8.153 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.538 7.280 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.615 8.510 -0.704 1.00 0.00 H new ATOM 1493 N ARG A 101 2.299 11.081 -4.662 1.00 0.00 N ATOM 1494 CA ARG A 101 1.735 12.380 -5.034 1.00 0.00 C ATOM 1495 C ARG A 101 0.232 12.248 -5.244 1.00 0.00 C ATOM 1496 O ARG A 101 -0.278 11.135 -5.386 1.00 0.00 O ATOM 1497 CB ARG A 101 2.480 12.977 -6.247 1.00 0.00 C ATOM 1498 CG ARG A 101 2.192 12.250 -7.574 1.00 0.00 C ATOM 1499 CD ARG A 101 2.970 12.816 -8.777 1.00 0.00 C ATOM 1500 NE ARG A 101 2.794 14.271 -8.967 1.00 0.00 N ATOM 1501 CZ ARG A 101 1.638 14.894 -9.247 1.00 0.00 C ATOM 1502 NH1 ARG A 101 0.557 14.209 -9.584 1.00 0.00 N ATOM 1503 NH2 ARG A 101 1.527 16.215 -9.185 1.00 0.00 N ATOM 0 H ARG A 101 2.006 10.307 -5.259 1.00 0.00 H new ATOM 0 HA ARG A 101 1.879 13.092 -4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 101 2.203 14.026 -6.351 1.00 0.00 H new ATOM 0 HB3 ARG A 101 3.552 12.948 -6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.437 11.194 -7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.124 12.308 -7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 101 4.031 12.601 -8.646 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.649 12.299 -9.681 1.00 0.00 H new ATOM 0 HE ARG A 101 3.626 14.855 -8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.593 13.191 -9.634 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.313 14.699 -9.793 1.00 0.00 H new ATOM 0 HH21 ARG A 101 2.332 16.783 -8.920 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.637 16.663 -9.403 1.00 0.00 H new