USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 684 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 53 LYS NZ :NH3+ -170:sc=-6.64e-05 (180deg=-0.341) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0194 K(o=-0.019,f=-1.6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -64:sc= -1.92 USER MOD Single : A 30 CYS SG : rot -108:sc= -0.747 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0903 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= -0.114 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc=-0.00109 X(o=-0.0011,f=-0.19) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.73! C(o=-2.7!,f=-2.6!) USER MOD Single : A 62 MET CE :methyl 177:sc= -1.65 (180deg=-1.81) USER MOD Single : A 69 ASN : amide:sc= -0.0609 K(o=-0.061,f=-1.6!) USER MOD Single : A 73 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.14) USER MOD Single : A 75 SER OG : rot -84:sc= 0.0566 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= -1.03 USER MOD Single : A 80 CYS SG : rot 45:sc= 0.363 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -130:sc= -1.81! USER MOD Single : A 88 SER OG : rot 22:sc= 0.0993 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N VAL A 9 18.707 -5.347 1.873 1.00 0.00 N ATOM 81 CA VAL A 9 17.852 -4.363 2.527 1.00 0.00 C ATOM 82 C VAL A 9 16.735 -5.041 3.312 1.00 0.00 C ATOM 83 O VAL A 9 16.164 -6.036 2.865 1.00 0.00 O ATOM 84 CB VAL A 9 17.231 -3.392 1.506 1.00 0.00 C ATOM 85 CG1 VAL A 9 16.330 -2.386 2.205 1.00 0.00 C ATOM 86 CG2 VAL A 9 18.320 -2.684 0.714 1.00 0.00 C ATOM 0 HA VAL A 9 18.485 -3.800 3.213 1.00 0.00 H new ATOM 0 HB VAL A 9 16.621 -3.967 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.900 -1.708 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.529 -2.913 2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.914 -1.814 2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.863 -2.002 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.958 -2.121 1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 9 18.920 -3.421 0.181 1.00 0.00 H new ATOM 96 N ARG A 10 16.428 -4.496 4.485 1.00 0.00 N ATOM 97 CA ARG A 10 15.379 -5.049 5.333 1.00 0.00 C ATOM 98 C ARG A 10 14.255 -4.037 5.536 1.00 0.00 C ATOM 99 O ARG A 10 14.456 -2.831 5.388 1.00 0.00 O ATOM 100 CB ARG A 10 15.955 -5.466 6.687 1.00 0.00 C ATOM 101 CG ARG A 10 16.797 -6.730 6.627 1.00 0.00 C ATOM 102 CD ARG A 10 18.247 -6.417 6.289 1.00 0.00 C ATOM 103 NE ARG A 10 19.057 -7.628 6.182 1.00 0.00 N ATOM 104 CZ ARG A 10 20.376 -7.645 6.333 1.00 0.00 C ATOM 105 NH1 ARG A 10 21.031 -6.522 6.596 1.00 0.00 N ATOM 106 NH2 ARG A 10 21.043 -8.786 6.222 1.00 0.00 N ATOM 0 H ARG A 10 16.891 -3.672 4.869 1.00 0.00 H new ATOM 0 HA ARG A 10 14.969 -5.927 4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.564 -4.652 7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.136 -5.618 7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.749 -7.247 7.586 1.00 0.00 H new ATOM 0 HG3 ARG A 10 16.386 -7.408 5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.290 -5.868 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 10 18.666 -5.767 7.057 1.00 0.00 H new ATOM 0 HE ARG A 10 18.583 -8.509 5.980 1.00 0.00 H new ATOM 0 HH11 ARG A 10 20.521 -5.643 6.683 1.00 0.00 H new ATOM 0 HH12 ARG A 10 22.044 -6.538 6.712 1.00 0.00 H new ATOM 0 HH21 ARG A 10 20.543 -9.652 6.020 1.00 0.00 H new ATOM 0 HH22 ARG A 10 22.056 -8.798 6.338 1.00 0.00 H new ATOM 120 N PHE A 11 13.071 -4.536 5.875 1.00 0.00 N ATOM 121 CA PHE A 11 11.914 -3.676 6.097 1.00 0.00 C ATOM 122 C PHE A 11 12.059 -2.894 7.399 1.00 0.00 C ATOM 123 O PHE A 11 11.705 -3.383 8.471 1.00 0.00 O ATOM 124 CB PHE A 11 10.631 -4.510 6.131 1.00 0.00 C ATOM 125 CG PHE A 11 9.996 -4.687 4.781 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.587 -3.588 4.044 1.00 0.00 C ATOM 127 CD2 PHE A 11 9.808 -5.953 4.250 1.00 0.00 C ATOM 128 CE1 PHE A 11 9.001 -3.748 2.802 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.224 -6.119 3.009 1.00 0.00 C ATOM 130 CZ PHE A 11 8.821 -5.015 2.283 1.00 0.00 C ATOM 0 H PHE A 11 12.887 -5.531 6.002 1.00 0.00 H new ATOM 0 HA PHE A 11 11.857 -2.966 5.272 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.856 -5.491 6.550 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.915 -4.034 6.801 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.727 -2.595 4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.122 -6.820 4.813 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.684 -2.883 2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.083 -7.111 2.607 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.366 -5.142 1.312 1.00 0.00 H new ATOM 140 N GLN A 12 12.585 -1.677 7.296 1.00 0.00 N ATOM 141 CA GLN A 12 12.779 -0.828 8.465 1.00 0.00 C ATOM 142 C GLN A 12 11.448 -0.273 8.962 1.00 0.00 C ATOM 143 O GLN A 12 11.127 -0.373 10.146 1.00 0.00 O ATOM 144 CB GLN A 12 13.732 0.322 8.134 1.00 0.00 C ATOM 145 CG GLN A 12 14.333 0.987 9.362 1.00 0.00 C ATOM 146 CD GLN A 12 15.540 0.242 9.897 1.00 0.00 C ATOM 147 OE1 GLN A 12 15.431 -0.901 10.342 1.00 0.00 O ATOM 148 NE2 GLN A 12 16.700 0.887 9.855 1.00 0.00 N ATOM 0 H GLN A 12 12.884 -1.258 6.416 1.00 0.00 H new ATOM 0 HA GLN A 12 13.216 -1.437 9.256 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.538 -0.055 7.504 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.196 1.071 7.551 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.622 2.008 9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.575 1.052 10.143 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.744 1.834 9.478 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.547 0.436 10.200 1.00 0.00 H new ATOM 157 N GLU A 13 10.678 0.312 8.049 1.00 0.00 N ATOM 158 CA GLU A 13 9.382 0.883 8.397 1.00 0.00 C ATOM 159 C GLU A 13 8.285 0.333 7.490 1.00 0.00 C ATOM 160 O GLU A 13 7.643 1.079 6.752 1.00 0.00 O ATOM 161 CB GLU A 13 9.428 2.409 8.292 1.00 0.00 C ATOM 162 CG GLU A 13 8.467 3.113 9.235 1.00 0.00 C ATOM 163 CD GLU A 13 8.621 4.621 9.206 1.00 0.00 C ATOM 164 OE1 GLU A 13 8.082 5.256 8.276 1.00 0.00 O ATOM 165 OE2 GLU A 13 9.282 5.167 10.115 1.00 0.00 O ATOM 0 H GLU A 13 10.929 0.403 7.065 1.00 0.00 H new ATOM 0 HA GLU A 13 9.154 0.603 9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.443 2.749 8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.198 2.701 7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.443 2.851 8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.632 2.754 10.251 1.00 0.00 H new ATOM 172 N ALA A 14 8.075 -0.978 7.553 1.00 0.00 N ATOM 173 CA ALA A 14 7.055 -1.628 6.740 1.00 0.00 C ATOM 174 C ALA A 14 5.682 -1.014 6.987 1.00 0.00 C ATOM 175 O ALA A 14 5.536 -0.101 7.801 1.00 0.00 O ATOM 176 CB ALA A 14 7.026 -3.123 7.025 1.00 0.00 C ATOM 0 H ALA A 14 8.598 -1.610 8.159 1.00 0.00 H new ATOM 0 HA ALA A 14 7.309 -1.474 5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.260 -3.596 6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.998 -3.557 6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.800 -3.288 8.078 1.00 0.00 H new ATOM 182 N LEU A 15 4.677 -1.518 6.279 1.00 0.00 N ATOM 183 CA LEU A 15 3.314 -1.017 6.421 1.00 0.00 C ATOM 184 C LEU A 15 2.789 -1.261 7.832 1.00 0.00 C ATOM 185 O LEU A 15 3.327 -2.084 8.573 1.00 0.00 O ATOM 186 CB LEU A 15 2.395 -1.688 5.399 1.00 0.00 C ATOM 187 CG LEU A 15 2.890 -1.693 3.952 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.239 -2.823 3.169 1.00 0.00 C ATOM 189 CD2 LEU A 15 2.611 -0.352 3.288 1.00 0.00 C ATOM 0 H LEU A 15 4.780 -2.273 5.601 1.00 0.00 H new ATOM 0 HA LEU A 15 3.326 0.058 6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.232 -2.720 5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.426 -1.189 5.429 1.00 0.00 H new ATOM 0 HG LEU A 15 3.968 -1.856 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.603 -2.811 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.490 -3.778 3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.157 -2.691 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.970 -0.374 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.538 -0.159 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.125 0.439 3.835 1.00 0.00 H new ATOM 201 N LYS A 16 1.733 -0.542 8.197 1.00 0.00 N ATOM 202 CA LYS A 16 1.132 -0.682 9.518 1.00 0.00 C ATOM 203 C LYS A 16 -0.378 -0.471 9.453 1.00 0.00 C ATOM 204 O LYS A 16 -0.870 0.312 8.641 1.00 0.00 O ATOM 205 CB LYS A 16 1.755 0.319 10.493 1.00 0.00 C ATOM 206 CG LYS A 16 1.685 1.759 10.016 1.00 0.00 C ATOM 207 CD LYS A 16 0.409 2.440 10.483 1.00 0.00 C ATOM 208 CE LYS A 16 0.586 3.074 11.854 1.00 0.00 C ATOM 209 NZ LYS A 16 1.259 4.400 11.769 1.00 0.00 N ATOM 0 H LYS A 16 1.276 0.144 7.596 1.00 0.00 H new ATOM 0 HA LYS A 16 1.326 -1.694 9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.249 0.239 11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.798 0.051 10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.549 2.309 10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.735 1.785 8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.118 3.204 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.401 1.712 10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.388 3.191 12.329 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.172 2.409 12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.361 4.799 12.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.199 4.285 11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.687 5.043 11.184 1.00 0.00 H new ATOM 223 N ASP A 17 -1.106 -1.173 10.314 1.00 0.00 N ATOM 224 CA ASP A 17 -2.559 -1.061 10.356 1.00 0.00 C ATOM 225 C ASP A 17 -3.004 0.364 10.040 1.00 0.00 C ATOM 226 O ASP A 17 -2.591 1.316 10.704 1.00 0.00 O ATOM 227 CB ASP A 17 -3.085 -1.479 11.730 1.00 0.00 C ATOM 228 CG ASP A 17 -2.423 -0.716 12.860 1.00 0.00 C ATOM 229 OD1 ASP A 17 -2.834 0.434 13.119 1.00 0.00 O ATOM 230 OD2 ASP A 17 -1.493 -1.268 13.485 1.00 0.00 O ATOM 0 H ASP A 17 -0.714 -1.826 10.992 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.972 -1.728 9.599 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.162 -1.317 11.768 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.918 -2.547 11.870 1.00 0.00 H new ATOM 235 N LEU A 18 -3.846 0.503 9.023 1.00 0.00 N ATOM 236 CA LEU A 18 -4.346 1.812 8.617 1.00 0.00 C ATOM 237 C LEU A 18 -5.812 1.978 9.004 1.00 0.00 C ATOM 238 O LEU A 18 -6.531 0.996 9.187 1.00 0.00 O ATOM 239 CB LEU A 18 -4.181 1.998 7.108 1.00 0.00 C ATOM 240 CG LEU A 18 -2.758 2.268 6.617 1.00 0.00 C ATOM 241 CD1 LEU A 18 -2.674 2.106 5.107 1.00 0.00 C ATOM 242 CD2 LEU A 18 -2.306 3.661 7.032 1.00 0.00 C ATOM 0 H LEU A 18 -4.197 -0.274 8.464 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.763 2.573 9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.553 1.103 6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.816 2.826 6.792 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.091 1.539 7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.654 2.302 4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.955 1.089 4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.353 2.811 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.291 3.836 6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.976 4.405 6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.326 3.741 8.119 1.00 0.00 H new ATOM 254 N GLU A 19 -6.250 3.228 9.123 1.00 0.00 N ATOM 255 CA GLU A 19 -7.631 3.522 9.487 1.00 0.00 C ATOM 256 C GLU A 19 -8.189 4.655 8.630 1.00 0.00 C ATOM 257 O GLU A 19 -7.599 5.731 8.543 1.00 0.00 O ATOM 258 CB GLU A 19 -7.724 3.894 10.968 1.00 0.00 C ATOM 259 CG GLU A 19 -9.151 4.027 11.474 1.00 0.00 C ATOM 260 CD GLU A 19 -9.757 5.381 11.161 1.00 0.00 C ATOM 261 OE1 GLU A 19 -9.491 6.339 11.917 1.00 0.00 O ATOM 262 OE2 GLU A 19 -10.498 5.482 10.161 1.00 0.00 O ATOM 0 H GLU A 19 -5.669 4.052 8.973 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.226 2.626 9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.208 3.136 11.557 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.200 4.836 11.131 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.766 3.246 11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.167 3.866 12.552 1.00 0.00 H new ATOM 269 N VAL A 20 -9.332 4.403 7.999 1.00 0.00 N ATOM 270 CA VAL A 20 -9.971 5.401 7.149 1.00 0.00 C ATOM 271 C VAL A 20 -11.466 5.133 7.017 1.00 0.00 C ATOM 272 O VAL A 20 -11.951 4.062 7.383 1.00 0.00 O ATOM 273 CB VAL A 20 -9.340 5.430 5.745 1.00 0.00 C ATOM 274 CG1 VAL A 20 -7.822 5.464 5.842 1.00 0.00 C ATOM 275 CG2 VAL A 20 -9.803 4.234 4.928 1.00 0.00 C ATOM 0 H VAL A 20 -9.834 3.517 8.060 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.818 6.369 7.627 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.668 6.337 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.394 5.484 4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.512 6.356 6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.471 4.577 6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.347 4.271 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.506 3.313 5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.888 4.259 4.829 1.00 0.00 H new ATOM 285 N LEU A 21 -12.193 6.113 6.491 1.00 0.00 N ATOM 286 CA LEU A 21 -13.635 5.984 6.309 1.00 0.00 C ATOM 287 C LEU A 21 -13.969 5.595 4.872 1.00 0.00 C ATOM 288 O LEU A 21 -13.255 5.959 3.939 1.00 0.00 O ATOM 289 CB LEU A 21 -14.334 7.295 6.671 1.00 0.00 C ATOM 290 CG LEU A 21 -15.770 7.171 7.182 1.00 0.00 C ATOM 291 CD1 LEU A 21 -16.077 8.272 8.185 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.754 7.214 6.022 1.00 0.00 C ATOM 0 H LEU A 21 -11.808 7.006 6.183 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.991 5.195 6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.741 7.801 7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.337 7.937 5.790 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.874 6.210 7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.103 8.167 8.537 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.393 8.195 9.030 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.955 9.244 7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.771 7.124 6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.648 8.159 5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.549 6.389 5.340 1.00 0.00 H new ATOM 304 N GLU A 22 -15.062 4.857 4.704 1.00 0.00 N ATOM 305 CA GLU A 22 -15.491 4.421 3.380 1.00 0.00 C ATOM 306 C GLU A 22 -15.608 5.608 2.428 1.00 0.00 C ATOM 307 O GLU A 22 -15.721 6.755 2.859 1.00 0.00 O ATOM 308 CB GLU A 22 -16.833 3.691 3.469 1.00 0.00 C ATOM 309 CG GLU A 22 -18.027 4.624 3.579 1.00 0.00 C ATOM 310 CD GLU A 22 -19.346 3.914 3.340 1.00 0.00 C ATOM 311 OE1 GLU A 22 -19.472 2.743 3.755 1.00 0.00 O ATOM 312 OE2 GLU A 22 -20.251 4.529 2.740 1.00 0.00 O ATOM 0 H GLU A 22 -15.665 4.549 5.467 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.738 3.736 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.954 3.062 2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.820 3.028 4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.038 5.079 4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.918 5.434 2.857 1.00 0.00 H new ATOM 319 N GLY A 23 -15.579 5.323 1.129 1.00 0.00 N ATOM 320 CA GLY A 23 -15.682 6.376 0.136 1.00 0.00 C ATOM 321 C GLY A 23 -14.661 7.476 0.350 1.00 0.00 C ATOM 322 O GLY A 23 -15.020 8.642 0.513 1.00 0.00 O ATOM 0 H GLY A 23 -15.486 4.382 0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.548 5.949 -0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.684 6.804 0.167 1.00 0.00 H new ATOM 326 N GLY A 24 -13.385 7.105 0.351 1.00 0.00 N ATOM 327 CA GLY A 24 -12.329 8.081 0.550 1.00 0.00 C ATOM 328 C GLY A 24 -11.054 7.712 -0.182 1.00 0.00 C ATOM 329 O GLY A 24 -11.097 7.109 -1.254 1.00 0.00 O ATOM 0 H GLY A 24 -13.063 6.146 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.672 9.057 0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.119 8.173 1.616 1.00 0.00 H new ATOM 333 N ALA A 25 -9.914 8.076 0.397 1.00 0.00 N ATOM 334 CA ALA A 25 -8.621 7.779 -0.206 1.00 0.00 C ATOM 335 C ALA A 25 -7.599 7.382 0.853 1.00 0.00 C ATOM 336 O ALA A 25 -7.237 8.185 1.712 1.00 0.00 O ATOM 337 CB ALA A 25 -8.122 8.977 -1.001 1.00 0.00 C ATOM 0 H ALA A 25 -9.860 8.577 1.284 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.749 6.935 -0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.155 8.741 -1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.836 9.214 -1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.016 9.835 -0.338 1.00 0.00 H new ATOM 343 N ALA A 26 -7.138 6.137 0.786 1.00 0.00 N ATOM 344 CA ALA A 26 -6.156 5.634 1.739 1.00 0.00 C ATOM 345 C ALA A 26 -4.893 5.162 1.028 1.00 0.00 C ATOM 346 O ALA A 26 -4.941 4.271 0.179 1.00 0.00 O ATOM 347 CB ALA A 26 -6.753 4.505 2.565 1.00 0.00 C ATOM 0 H ALA A 26 -7.429 5.459 0.082 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.881 6.451 2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.009 4.139 3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.622 4.873 3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.057 3.693 1.905 1.00 0.00 H new ATOM 353 N THR A 27 -3.761 5.765 1.379 1.00 0.00 N ATOM 354 CA THR A 27 -2.485 5.407 0.773 1.00 0.00 C ATOM 355 C THR A 27 -1.584 4.689 1.772 1.00 0.00 C ATOM 356 O THR A 27 -1.656 4.934 2.977 1.00 0.00 O ATOM 357 CB THR A 27 -1.749 6.649 0.236 1.00 0.00 C ATOM 358 OG1 THR A 27 -0.686 6.251 -0.636 1.00 0.00 O ATOM 359 CG2 THR A 27 -1.189 7.482 1.379 1.00 0.00 C ATOM 0 H THR A 27 -3.702 6.504 2.080 1.00 0.00 H new ATOM 0 HA THR A 27 -2.707 4.738 -0.058 1.00 0.00 H new ATOM 0 HB THR A 27 -2.465 7.256 -0.319 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.018 5.744 -0.128 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.674 8.354 0.976 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.004 7.809 2.024 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.487 6.881 1.957 1.00 0.00 H new ATOM 367 N LEU A 28 -0.734 3.803 1.264 1.00 0.00 N ATOM 368 CA LEU A 28 0.183 3.049 2.112 1.00 0.00 C ATOM 369 C LEU A 28 1.589 3.637 2.051 1.00 0.00 C ATOM 370 O LEU A 28 2.094 3.953 0.973 1.00 0.00 O ATOM 371 CB LEU A 28 0.213 1.581 1.687 1.00 0.00 C ATOM 372 CG LEU A 28 -1.063 0.780 1.950 1.00 0.00 C ATOM 373 CD1 LEU A 28 -2.054 0.964 0.811 1.00 0.00 C ATOM 374 CD2 LEU A 28 -0.737 -0.694 2.142 1.00 0.00 C ATOM 0 H LEU A 28 -0.661 3.589 0.269 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.175 3.115 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.433 1.537 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.039 1.091 2.203 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.521 1.153 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.955 0.387 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.312 2.019 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.606 0.618 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.657 -1.249 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.256 -1.080 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.065 -0.810 2.992 1.00 0.00 H new ATOM 386 N ARG A 29 2.217 3.779 3.213 1.00 0.00 N ATOM 387 CA ARG A 29 3.566 4.327 3.291 1.00 0.00 C ATOM 388 C ARG A 29 4.519 3.335 3.951 1.00 0.00 C ATOM 389 O ARG A 29 4.202 2.750 4.987 1.00 0.00 O ATOM 390 CB ARG A 29 3.560 5.642 4.073 1.00 0.00 C ATOM 391 CG ARG A 29 3.273 6.861 3.213 1.00 0.00 C ATOM 392 CD ARG A 29 3.629 8.151 3.936 1.00 0.00 C ATOM 393 NE ARG A 29 3.272 9.333 3.156 1.00 0.00 N ATOM 394 CZ ARG A 29 3.497 10.577 3.563 1.00 0.00 C ATOM 395 NH1 ARG A 29 4.076 10.800 4.735 1.00 0.00 N ATOM 396 NH2 ARG A 29 3.145 11.601 2.796 1.00 0.00 N ATOM 0 H ARG A 29 1.813 3.522 4.114 1.00 0.00 H new ATOM 0 HA ARG A 29 3.913 4.517 2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.812 5.581 4.863 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.527 5.770 4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.841 6.794 2.285 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.218 6.875 2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.115 8.182 4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.698 8.165 4.146 1.00 0.00 H new ATOM 0 HE ARG A 29 2.826 9.196 2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.350 10.015 5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.248 11.756 5.045 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.701 11.433 1.893 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.318 12.556 3.109 1.00 0.00 H new ATOM 410 N CYS A 30 5.686 3.151 3.343 1.00 0.00 N ATOM 411 CA CYS A 30 6.685 2.228 3.870 1.00 0.00 C ATOM 412 C CYS A 30 8.083 2.612 3.397 1.00 0.00 C ATOM 413 O CYS A 30 8.308 2.834 2.207 1.00 0.00 O ATOM 414 CB CYS A 30 6.363 0.796 3.442 1.00 0.00 C ATOM 415 SG CYS A 30 6.176 0.584 1.656 1.00 0.00 S ATOM 0 H CYS A 30 5.963 3.628 2.485 1.00 0.00 H new ATOM 0 HA CYS A 30 6.661 2.288 4.958 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.156 0.136 3.794 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.443 0.480 3.933 1.00 0.00 H new ATOM 0 HG CYS A 30 4.922 0.394 1.370 1.00 0.00 H new ATOM 421 N VAL A 31 9.020 2.689 4.336 1.00 0.00 N ATOM 422 CA VAL A 31 10.397 3.047 4.015 1.00 0.00 C ATOM 423 C VAL A 31 11.316 1.834 4.111 1.00 0.00 C ATOM 424 O VAL A 31 11.121 0.958 4.954 1.00 0.00 O ATOM 425 CB VAL A 31 10.923 4.151 4.952 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.409 4.381 4.724 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.138 5.438 4.750 1.00 0.00 C ATOM 0 H VAL A 31 8.851 2.508 5.326 1.00 0.00 H new ATOM 0 HA VAL A 31 10.397 3.420 2.991 1.00 0.00 H new ATOM 0 HB VAL A 31 10.785 3.826 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.763 5.164 5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.955 3.459 4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.576 4.685 3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.522 6.207 5.420 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.243 5.770 3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.085 5.260 4.968 1.00 0.00 H new ATOM 437 N LEU A 32 12.319 1.789 3.241 1.00 0.00 N ATOM 438 CA LEU A 32 13.271 0.684 3.226 1.00 0.00 C ATOM 439 C LEU A 32 14.563 1.068 3.941 1.00 0.00 C ATOM 440 O LEU A 32 14.976 2.227 3.916 1.00 0.00 O ATOM 441 CB LEU A 32 13.576 0.266 1.787 1.00 0.00 C ATOM 442 CG LEU A 32 12.363 0.024 0.887 1.00 0.00 C ATOM 443 CD1 LEU A 32 12.700 0.345 -0.561 1.00 0.00 C ATOM 444 CD2 LEU A 32 11.880 -1.413 1.018 1.00 0.00 C ATOM 0 H LEU A 32 12.494 2.505 2.536 1.00 0.00 H new ATOM 0 HA LEU A 32 12.821 -0.157 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.195 1.038 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.172 -0.646 1.813 1.00 0.00 H new ATOM 0 HG LEU A 32 11.559 0.687 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.825 0.167 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.997 1.391 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.519 -0.292 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.017 -1.567 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.679 -2.094 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.598 -1.609 2.052 1.00 0.00 H new ATOM 456 N SER A 33 15.196 0.087 4.575 1.00 0.00 N ATOM 457 CA SER A 33 16.441 0.322 5.298 1.00 0.00 C ATOM 458 C SER A 33 17.340 1.287 4.531 1.00 0.00 C ATOM 459 O SER A 33 17.921 2.204 5.110 1.00 0.00 O ATOM 460 CB SER A 33 17.175 -0.999 5.535 1.00 0.00 C ATOM 461 OG SER A 33 18.372 -0.793 6.265 1.00 0.00 O ATOM 0 H SER A 33 14.868 -0.878 4.603 1.00 0.00 H new ATOM 0 HA SER A 33 16.195 0.770 6.261 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.527 -1.686 6.079 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.405 -1.468 4.578 1.00 0.00 H new ATOM 0 HG SER A 33 18.822 -1.652 6.405 1.00 0.00 H new ATOM 467 N SER A 34 17.450 1.072 3.224 1.00 0.00 N ATOM 468 CA SER A 34 18.281 1.919 2.377 1.00 0.00 C ATOM 469 C SER A 34 17.699 2.020 0.971 1.00 0.00 C ATOM 470 O SER A 34 16.857 1.213 0.575 1.00 0.00 O ATOM 471 CB SER A 34 19.707 1.369 2.312 1.00 0.00 C ATOM 472 OG SER A 34 20.543 2.208 1.534 1.00 0.00 O ATOM 0 H SER A 34 16.974 0.318 2.729 1.00 0.00 H new ATOM 0 HA SER A 34 18.303 2.917 2.815 1.00 0.00 H new ATOM 0 HB2 SER A 34 20.112 1.281 3.320 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.694 0.366 1.885 1.00 0.00 H new ATOM 0 HG SER A 34 21.449 1.835 1.510 1.00 0.00 H new ATOM 478 N VAL A 35 18.153 3.017 0.219 1.00 0.00 N ATOM 479 CA VAL A 35 17.679 3.224 -1.145 1.00 0.00 C ATOM 480 C VAL A 35 17.607 1.906 -1.908 1.00 0.00 C ATOM 481 O VAL A 35 18.627 1.262 -2.151 1.00 0.00 O ATOM 482 CB VAL A 35 18.589 4.201 -1.913 1.00 0.00 C ATOM 483 CG1 VAL A 35 18.094 4.381 -3.340 1.00 0.00 C ATOM 484 CG2 VAL A 35 18.662 5.539 -1.192 1.00 0.00 C ATOM 0 H VAL A 35 18.849 3.695 0.531 1.00 0.00 H new ATOM 0 HA VAL A 35 16.679 3.652 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 35 19.594 3.780 -1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 35 18.749 5.074 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 35 18.098 3.418 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 35 17.080 4.780 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 35 19.309 6.217 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 35 17.663 5.968 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 35 19.067 5.391 -0.191 1.00 0.00 H new ATOM 494 N ALA A 36 16.395 1.512 -2.284 1.00 0.00 N ATOM 495 CA ALA A 36 16.190 0.272 -3.022 1.00 0.00 C ATOM 496 C ALA A 36 15.054 0.414 -4.029 1.00 0.00 C ATOM 497 O ALA A 36 13.946 0.817 -3.676 1.00 0.00 O ATOM 498 CB ALA A 36 15.907 -0.874 -2.062 1.00 0.00 C ATOM 0 H ALA A 36 15.540 2.034 -2.090 1.00 0.00 H new ATOM 0 HA ALA A 36 17.104 0.051 -3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.756 -1.794 -2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.752 -0.999 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.010 -0.652 -1.485 1.00 0.00 H new ATOM 504 N ALA A 37 15.336 0.081 -5.284 1.00 0.00 N ATOM 505 CA ALA A 37 14.337 0.170 -6.342 1.00 0.00 C ATOM 506 C ALA A 37 14.857 -0.437 -7.641 1.00 0.00 C ATOM 507 O ALA A 37 16.048 -0.710 -7.794 1.00 0.00 O ATOM 508 CB ALA A 37 13.928 1.619 -6.560 1.00 0.00 C ATOM 0 H ALA A 37 16.249 -0.253 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 37 13.462 -0.400 -6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.182 1.671 -7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 37 13.507 2.021 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.802 2.205 -6.845 1.00 0.00 H new ATOM 514 N PRO A 38 13.945 -0.654 -8.600 1.00 0.00 N ATOM 515 CA PRO A 38 12.525 -0.333 -8.429 1.00 0.00 C ATOM 516 C PRO A 38 11.838 -1.258 -7.430 1.00 0.00 C ATOM 517 O PRO A 38 12.461 -2.165 -6.879 1.00 0.00 O ATOM 518 CB PRO A 38 11.944 -0.535 -9.831 1.00 0.00 C ATOM 519 CG PRO A 38 12.862 -1.509 -10.484 1.00 0.00 C ATOM 520 CD PRO A 38 14.229 -1.230 -9.925 1.00 0.00 C ATOM 0 HA PRO A 38 12.379 0.672 -8.033 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.925 -0.920 -9.786 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.906 0.404 -10.383 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.557 -2.534 -10.274 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.852 -1.389 -11.567 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.825 -2.139 -9.848 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.786 -0.536 -10.554 1.00 0.00 H new ATOM 528 N VAL A 39 10.550 -1.022 -7.201 1.00 0.00 N ATOM 529 CA VAL A 39 9.777 -1.835 -6.269 1.00 0.00 C ATOM 530 C VAL A 39 8.526 -2.395 -6.935 1.00 0.00 C ATOM 531 O VAL A 39 7.936 -1.759 -7.809 1.00 0.00 O ATOM 532 CB VAL A 39 9.365 -1.025 -5.026 1.00 0.00 C ATOM 533 CG1 VAL A 39 8.612 -1.905 -4.040 1.00 0.00 C ATOM 534 CG2 VAL A 39 10.586 -0.398 -4.370 1.00 0.00 C ATOM 0 H VAL A 39 10.020 -0.274 -7.648 1.00 0.00 H new ATOM 0 HA VAL A 39 10.420 -2.659 -5.960 1.00 0.00 H new ATOM 0 HB VAL A 39 8.698 -0.222 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.329 -1.315 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.715 -2.301 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.251 -2.731 -3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.276 0.171 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.280 -1.183 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 39 11.078 0.268 -5.079 1.00 0.00 H new ATOM 544 N LYS A 40 8.124 -3.591 -6.517 1.00 0.00 N ATOM 545 CA LYS A 40 6.941 -4.238 -7.071 1.00 0.00 C ATOM 546 C LYS A 40 5.778 -4.180 -6.086 1.00 0.00 C ATOM 547 O LYS A 40 5.902 -4.609 -4.939 1.00 0.00 O ATOM 548 CB LYS A 40 7.250 -5.694 -7.426 1.00 0.00 C ATOM 549 CG LYS A 40 6.300 -6.284 -8.454 1.00 0.00 C ATOM 550 CD LYS A 40 6.436 -7.795 -8.535 1.00 0.00 C ATOM 551 CE LYS A 40 6.021 -8.319 -9.902 1.00 0.00 C ATOM 552 NZ LYS A 40 5.874 -9.801 -9.906 1.00 0.00 N ATOM 0 H LYS A 40 8.601 -4.132 -5.796 1.00 0.00 H new ATOM 0 HA LYS A 40 6.655 -3.702 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.269 -5.758 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.210 -6.297 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.274 -6.023 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.503 -5.846 -9.432 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.469 -8.080 -8.333 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.821 -8.259 -7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.077 -7.860 -10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.763 -8.026 -10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.590 -10.119 -10.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.781 -10.241 -9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.148 -10.080 -9.216 1.00 0.00 H new ATOM 566 N TRP A 41 4.649 -3.650 -6.541 1.00 0.00 N ATOM 567 CA TRP A 41 3.463 -3.538 -5.699 1.00 0.00 C ATOM 568 C TRP A 41 2.339 -4.427 -6.221 1.00 0.00 C ATOM 569 O TRP A 41 1.669 -4.087 -7.197 1.00 0.00 O ATOM 570 CB TRP A 41 2.992 -2.084 -5.637 1.00 0.00 C ATOM 571 CG TRP A 41 3.755 -1.255 -4.648 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.952 -0.631 -4.852 1.00 0.00 C ATOM 573 CD2 TRP A 41 3.373 -0.962 -3.299 1.00 0.00 C ATOM 574 NE1 TRP A 41 5.338 0.033 -3.712 1.00 0.00 N ATOM 575 CE2 TRP A 41 4.385 -0.155 -2.745 1.00 0.00 C ATOM 576 CE3 TRP A 41 2.273 -1.302 -2.507 1.00 0.00 C ATOM 577 CZ2 TRP A 41 4.329 0.316 -1.436 1.00 0.00 C ATOM 578 CZ3 TRP A 41 2.219 -0.835 -1.207 1.00 0.00 C ATOM 579 CH2 TRP A 41 3.241 -0.032 -0.683 1.00 0.00 C ATOM 0 H TRP A 41 4.529 -3.291 -7.488 1.00 0.00 H new ATOM 0 HA TRP A 41 3.728 -3.870 -4.695 1.00 0.00 H new ATOM 0 HB2 TRP A 41 3.087 -1.636 -6.626 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.933 -2.063 -5.378 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.514 -0.655 -5.774 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.194 0.577 -3.603 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.480 -1.918 -2.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 5.116 0.934 -1.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.375 -1.093 -0.585 1.00 0.00 H new ATOM 0 HH2 TRP A 41 3.168 0.319 0.336 1.00 0.00 H new ATOM 590 N CYS A 42 2.139 -5.565 -5.566 1.00 0.00 N ATOM 591 CA CYS A 42 1.096 -6.503 -5.965 1.00 0.00 C ATOM 592 C CYS A 42 0.078 -6.693 -4.845 1.00 0.00 C ATOM 593 O CYS A 42 0.442 -6.979 -3.704 1.00 0.00 O ATOM 594 CB CYS A 42 1.711 -7.850 -6.346 1.00 0.00 C ATOM 595 SG CYS A 42 0.498 -9.123 -6.768 1.00 0.00 S ATOM 0 H CYS A 42 2.685 -5.860 -4.757 1.00 0.00 H new ATOM 0 HA CYS A 42 0.582 -6.089 -6.832 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.380 -7.705 -7.195 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.322 -8.206 -5.516 1.00 0.00 H new ATOM 0 HG CYS A 42 1.115 -10.224 -7.078 1.00 0.00 H new ATOM 601 N TYR A 43 -1.198 -6.531 -5.178 1.00 0.00 N ATOM 602 CA TYR A 43 -2.268 -6.681 -4.199 1.00 0.00 C ATOM 603 C TYR A 43 -3.097 -7.929 -4.486 1.00 0.00 C ATOM 604 O TYR A 43 -3.937 -7.938 -5.385 1.00 0.00 O ATOM 605 CB TYR A 43 -3.168 -5.445 -4.204 1.00 0.00 C ATOM 606 CG TYR A 43 -4.474 -5.643 -3.467 1.00 0.00 C ATOM 607 CD1 TYR A 43 -4.489 -6.053 -2.140 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.691 -5.420 -4.098 1.00 0.00 C ATOM 609 CE1 TYR A 43 -5.679 -6.237 -1.463 1.00 0.00 C ATOM 610 CE2 TYR A 43 -6.886 -5.599 -3.428 1.00 0.00 C ATOM 611 CZ TYR A 43 -6.875 -6.008 -2.111 1.00 0.00 C ATOM 612 OH TYR A 43 -8.063 -6.189 -1.440 1.00 0.00 O ATOM 0 H TYR A 43 -1.516 -6.296 -6.118 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.813 -6.787 -3.214 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.629 -4.612 -3.753 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.382 -5.166 -5.236 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.554 -6.231 -1.629 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.703 -5.101 -5.130 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.673 -6.558 -0.432 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.824 -5.420 -3.933 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.811 -5.984 -2.039 1.00 0.00 H new ATOM 622 N GLY A 44 -2.855 -8.983 -3.712 1.00 0.00 N ATOM 623 CA GLY A 44 -3.586 -10.223 -3.897 1.00 0.00 C ATOM 624 C GLY A 44 -3.044 -11.051 -5.045 1.00 0.00 C ATOM 625 O GLY A 44 -1.930 -11.568 -4.973 1.00 0.00 O ATOM 0 H GLY A 44 -2.166 -9.000 -2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.541 -10.808 -2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.637 -9.998 -4.080 1.00 0.00 H new ATOM 629 N ASN A 45 -3.834 -11.179 -6.106 1.00 0.00 N ATOM 630 CA ASN A 45 -3.427 -11.952 -7.273 1.00 0.00 C ATOM 631 C ASN A 45 -3.000 -11.033 -8.413 1.00 0.00 C ATOM 632 O ASN A 45 -1.860 -11.086 -8.873 1.00 0.00 O ATOM 633 CB ASN A 45 -4.571 -12.858 -7.735 1.00 0.00 C ATOM 634 CG ASN A 45 -4.137 -13.834 -8.811 1.00 0.00 C ATOM 635 OD1 ASN A 45 -3.508 -14.853 -8.524 1.00 0.00 O ATOM 636 ND2 ASN A 45 -4.471 -13.526 -10.059 1.00 0.00 N ATOM 0 H ASN A 45 -4.760 -10.757 -6.181 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.575 -12.569 -6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.959 -13.412 -6.881 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.387 -12.243 -8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.206 -14.145 -10.825 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.993 -12.671 -10.251 1.00 0.00 H new ATOM 643 N ASN A 46 -3.923 -10.189 -8.863 1.00 0.00 N ATOM 644 CA ASN A 46 -3.642 -9.257 -9.949 1.00 0.00 C ATOM 645 C ASN A 46 -2.754 -8.113 -9.468 1.00 0.00 C ATOM 646 O ASN A 46 -3.161 -7.307 -8.630 1.00 0.00 O ATOM 647 CB ASN A 46 -4.947 -8.699 -10.521 1.00 0.00 C ATOM 648 CG ASN A 46 -5.567 -9.622 -11.552 1.00 0.00 C ATOM 649 OD1 ASN A 46 -4.911 -10.029 -12.511 1.00 0.00 O ATOM 650 ND2 ASN A 46 -6.837 -9.956 -11.360 1.00 0.00 N ATOM 0 H ASN A 46 -4.872 -10.131 -8.493 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.113 -9.800 -10.732 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.656 -8.537 -9.709 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.755 -7.727 -10.976 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.308 -10.574 -12.022 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.343 -9.595 -10.551 1.00 0.00 H new ATOM 657 N VAL A 47 -1.540 -8.047 -10.005 1.00 0.00 N ATOM 658 CA VAL A 47 -0.595 -7.001 -9.633 1.00 0.00 C ATOM 659 C VAL A 47 -1.152 -5.618 -9.953 1.00 0.00 C ATOM 660 O VAL A 47 -1.842 -5.431 -10.956 1.00 0.00 O ATOM 661 CB VAL A 47 0.753 -7.179 -10.355 1.00 0.00 C ATOM 662 CG1 VAL A 47 0.610 -6.867 -11.837 1.00 0.00 C ATOM 663 CG2 VAL A 47 1.819 -6.301 -9.717 1.00 0.00 C ATOM 0 H VAL A 47 -1.188 -8.706 -10.699 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.436 -7.086 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 47 1.064 -8.219 -10.256 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.573 -6.998 -12.331 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.121 -7.542 -12.282 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.276 -5.837 -11.961 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.765 -6.440 -10.240 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.517 -5.256 -9.784 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.939 -6.578 -8.670 1.00 0.00 H new ATOM 673 N LEU A 48 -0.848 -4.651 -9.094 1.00 0.00 N ATOM 674 CA LEU A 48 -1.317 -3.283 -9.285 1.00 0.00 C ATOM 675 C LEU A 48 -0.506 -2.575 -10.365 1.00 0.00 C ATOM 676 O LEU A 48 0.674 -2.866 -10.561 1.00 0.00 O ATOM 677 CB LEU A 48 -1.228 -2.504 -7.971 1.00 0.00 C ATOM 678 CG LEU A 48 -2.068 -3.044 -6.813 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.655 -2.389 -5.504 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.549 -2.822 -7.079 1.00 0.00 C ATOM 0 H LEU A 48 -0.279 -4.789 -8.259 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.358 -3.324 -9.606 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.185 -2.479 -7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.528 -1.474 -8.162 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.892 -4.116 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.263 -2.785 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.604 -2.600 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.801 -1.311 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.131 -3.213 -6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.743 -1.755 -7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.836 -3.339 -7.995 1.00 0.00 H new ATOM 692 N ARG A 49 -1.147 -1.642 -11.063 1.00 0.00 N ATOM 693 CA ARG A 49 -0.484 -0.891 -12.123 1.00 0.00 C ATOM 694 C ARG A 49 -0.824 0.594 -12.031 1.00 0.00 C ATOM 695 O ARG A 49 -1.953 0.980 -11.728 1.00 0.00 O ATOM 696 CB ARG A 49 -0.892 -1.435 -13.493 1.00 0.00 C ATOM 697 CG ARG A 49 -0.456 -2.871 -13.733 1.00 0.00 C ATOM 698 CD ARG A 49 -1.373 -3.574 -14.722 1.00 0.00 C ATOM 699 NE ARG A 49 -1.105 -3.169 -16.100 1.00 0.00 N ATOM 700 CZ ARG A 49 -1.728 -3.686 -17.152 1.00 0.00 C ATOM 701 NH1 ARG A 49 -2.652 -4.623 -16.985 1.00 0.00 N ATOM 702 NH2 ARG A 49 -1.430 -3.266 -18.375 1.00 0.00 N ATOM 0 H ARG A 49 -2.124 -1.389 -10.914 1.00 0.00 H new ATOM 0 HA ARG A 49 0.593 -1.008 -11.999 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.976 -1.372 -13.591 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.464 -0.800 -14.269 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.566 -2.884 -14.111 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.453 -3.414 -12.788 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.246 -4.653 -14.630 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.411 -3.353 -14.474 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.401 -2.450 -16.263 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.885 -4.948 -16.047 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.129 -5.019 -17.795 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.721 -2.545 -18.508 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.910 -3.664 -19.182 1.00 0.00 H new ATOM 716 N PRO A 50 0.176 1.447 -12.298 1.00 0.00 N ATOM 717 CA PRO A 50 0.008 2.903 -12.252 1.00 0.00 C ATOM 718 C PRO A 50 -0.869 3.421 -13.387 1.00 0.00 C ATOM 719 O PRO A 50 -0.863 2.874 -14.489 1.00 0.00 O ATOM 720 CB PRO A 50 1.437 3.430 -12.397 1.00 0.00 C ATOM 721 CG PRO A 50 2.168 2.350 -13.118 1.00 0.00 C ATOM 722 CD PRO A 50 1.547 1.057 -12.666 1.00 0.00 C ATOM 0 HA PRO A 50 -0.489 3.227 -11.338 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.459 4.365 -12.957 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.886 3.630 -11.424 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.077 2.470 -14.197 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.232 2.375 -12.883 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.553 0.310 -13.459 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.083 0.628 -11.820 1.00 0.00 H new ATOM 730 N GLY A 51 -1.623 4.481 -13.110 1.00 0.00 N ATOM 731 CA GLY A 51 -2.494 5.055 -14.118 1.00 0.00 C ATOM 732 C GLY A 51 -3.358 6.174 -13.569 1.00 0.00 C ATOM 733 O GLY A 51 -2.932 7.328 -13.519 1.00 0.00 O ATOM 0 H GLY A 51 -1.646 4.952 -12.205 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.890 5.437 -14.941 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.134 4.274 -14.528 1.00 0.00 H new ATOM 737 N ASP A 52 -4.574 5.832 -13.157 1.00 0.00 N ATOM 738 CA ASP A 52 -5.500 6.817 -12.609 1.00 0.00 C ATOM 739 C ASP A 52 -5.995 6.390 -11.231 1.00 0.00 C ATOM 740 O ASP A 52 -5.779 7.085 -10.239 1.00 0.00 O ATOM 741 CB ASP A 52 -6.687 7.012 -13.553 1.00 0.00 C ATOM 742 CG ASP A 52 -7.894 7.603 -12.851 1.00 0.00 C ATOM 743 OD1 ASP A 52 -7.930 8.838 -12.672 1.00 0.00 O ATOM 744 OD2 ASP A 52 -8.802 6.830 -12.482 1.00 0.00 O ATOM 0 H ASP A 52 -4.941 4.881 -13.192 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.968 7.763 -12.507 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.391 7.666 -14.374 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.960 6.052 -13.992 1.00 0.00 H new ATOM 749 N LYS A 53 -6.660 5.241 -11.177 1.00 0.00 N ATOM 750 CA LYS A 53 -7.187 4.719 -9.921 1.00 0.00 C ATOM 751 C LYS A 53 -6.068 4.524 -8.902 1.00 0.00 C ATOM 752 O LYS A 53 -6.219 4.862 -7.728 1.00 0.00 O ATOM 753 CB LYS A 53 -7.912 3.393 -10.160 1.00 0.00 C ATOM 754 CG LYS A 53 -8.889 3.027 -9.057 1.00 0.00 C ATOM 755 CD LYS A 53 -8.199 2.293 -7.920 1.00 0.00 C ATOM 756 CE LYS A 53 -9.154 1.355 -7.200 1.00 0.00 C ATOM 757 NZ LYS A 53 -8.623 0.931 -5.875 1.00 0.00 N ATOM 0 H LYS A 53 -6.847 4.653 -11.989 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.895 5.445 -9.522 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.450 3.448 -11.107 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.174 2.597 -10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.361 3.931 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.683 2.402 -9.466 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.356 1.724 -8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.795 3.016 -7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.116 1.850 -7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.333 0.475 -7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.215 0.167 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.647 0.590 -5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.635 1.740 -5.221 1.00 0.00 H new ATOM 771 N TYR A 54 -4.947 3.977 -9.359 1.00 0.00 N ATOM 772 CA TYR A 54 -3.804 3.736 -8.487 1.00 0.00 C ATOM 773 C TYR A 54 -2.672 4.713 -8.789 1.00 0.00 C ATOM 774 O TYR A 54 -2.505 5.154 -9.926 1.00 0.00 O ATOM 775 CB TYR A 54 -3.308 2.298 -8.648 1.00 0.00 C ATOM 776 CG TYR A 54 -4.262 1.263 -8.097 1.00 0.00 C ATOM 777 CD1 TYR A 54 -4.300 0.979 -6.737 1.00 0.00 C ATOM 778 CD2 TYR A 54 -5.125 0.568 -8.935 1.00 0.00 C ATOM 779 CE1 TYR A 54 -5.169 0.033 -6.229 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.999 -0.378 -8.435 1.00 0.00 C ATOM 781 CZ TYR A 54 -6.017 -0.642 -7.082 1.00 0.00 C ATOM 782 OH TYR A 54 -6.885 -1.585 -6.580 1.00 0.00 O ATOM 0 H TYR A 54 -4.806 3.692 -10.328 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.126 3.889 -7.457 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -3.139 2.097 -9.706 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.346 2.196 -8.146 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.639 1.507 -6.066 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.112 0.771 -9.996 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.184 -0.177 -5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.664 -0.908 -9.100 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.413 -1.967 -7.312 1.00 0.00 H new ATOM 792 N SER A 55 -1.897 5.047 -7.762 1.00 0.00 N ATOM 793 CA SER A 55 -0.782 5.974 -7.915 1.00 0.00 C ATOM 794 C SER A 55 0.453 5.466 -7.178 1.00 0.00 C ATOM 795 O SER A 55 0.380 5.091 -6.007 1.00 0.00 O ATOM 796 CB SER A 55 -1.168 7.359 -7.393 1.00 0.00 C ATOM 797 OG SER A 55 -2.381 7.805 -7.975 1.00 0.00 O ATOM 0 H SER A 55 -2.021 4.689 -6.815 1.00 0.00 H new ATOM 0 HA SER A 55 -0.545 6.046 -8.976 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.272 7.326 -6.308 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.372 8.069 -7.615 1.00 0.00 H new ATOM 0 HG SER A 55 -2.606 8.692 -7.623 1.00 0.00 H new ATOM 803 N LEU A 56 1.586 5.456 -7.871 1.00 0.00 N ATOM 804 CA LEU A 56 2.838 4.994 -7.283 1.00 0.00 C ATOM 805 C LEU A 56 3.955 6.008 -7.514 1.00 0.00 C ATOM 806 O LEU A 56 4.237 6.387 -8.650 1.00 0.00 O ATOM 807 CB LEU A 56 3.234 3.640 -7.876 1.00 0.00 C ATOM 808 CG LEU A 56 2.301 2.471 -7.558 1.00 0.00 C ATOM 809 CD1 LEU A 56 1.086 2.494 -8.472 1.00 0.00 C ATOM 810 CD2 LEU A 56 3.042 1.148 -7.687 1.00 0.00 C ATOM 0 H LEU A 56 1.663 5.763 -8.841 1.00 0.00 H new ATOM 0 HA LEU A 56 2.687 4.884 -6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.297 3.744 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.233 3.388 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 56 1.958 2.574 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.433 1.655 -8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.543 3.428 -8.331 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.410 2.415 -9.510 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.363 0.327 -7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.414 1.037 -8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.880 1.131 -6.991 1.00 0.00 H new ATOM 822 N ARG A 57 4.587 6.441 -6.428 1.00 0.00 N ATOM 823 CA ARG A 57 5.673 7.410 -6.511 1.00 0.00 C ATOM 824 C ARG A 57 6.930 6.877 -5.829 1.00 0.00 C ATOM 825 O ARG A 57 6.993 6.792 -4.603 1.00 0.00 O ATOM 826 CB ARG A 57 5.254 8.734 -5.870 1.00 0.00 C ATOM 827 CG ARG A 57 5.976 9.943 -6.442 1.00 0.00 C ATOM 828 CD ARG A 57 5.392 10.356 -7.785 1.00 0.00 C ATOM 829 NE ARG A 57 5.896 11.654 -8.224 1.00 0.00 N ATOM 830 CZ ARG A 57 7.125 11.846 -8.690 1.00 0.00 C ATOM 831 NH1 ARG A 57 7.971 10.829 -8.777 1.00 0.00 N ATOM 832 NH2 ARG A 57 7.510 13.058 -9.070 1.00 0.00 N ATOM 0 H ARG A 57 4.366 6.136 -5.480 1.00 0.00 H new ATOM 0 HA ARG A 57 5.896 7.579 -7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.180 8.867 -6.001 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.441 8.684 -4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.906 10.775 -5.742 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.035 9.714 -6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.634 9.601 -8.533 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.305 10.395 -7.711 1.00 0.00 H new ATOM 0 HE ARG A 57 5.270 12.458 -8.170 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.679 9.896 -8.486 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.914 10.979 -9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.862 13.843 -9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.454 13.204 -9.428 1.00 0.00 H new ATOM 846 N GLN A 58 7.927 6.520 -6.633 1.00 0.00 N ATOM 847 CA GLN A 58 9.181 5.995 -6.106 1.00 0.00 C ATOM 848 C GLN A 58 10.163 7.124 -5.814 1.00 0.00 C ATOM 849 O GLN A 58 10.345 8.028 -6.629 1.00 0.00 O ATOM 850 CB GLN A 58 9.801 5.008 -7.097 1.00 0.00 C ATOM 851 CG GLN A 58 10.973 4.227 -6.525 1.00 0.00 C ATOM 852 CD GLN A 58 12.217 5.078 -6.362 1.00 0.00 C ATOM 853 OE1 GLN A 58 12.634 5.772 -7.290 1.00 0.00 O ATOM 854 NE2 GLN A 58 12.817 5.029 -5.179 1.00 0.00 N ATOM 0 H GLN A 58 7.891 6.585 -7.650 1.00 0.00 H new ATOM 0 HA GLN A 58 8.965 5.475 -5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.034 4.307 -7.427 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.135 5.554 -7.980 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.691 3.813 -5.557 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.197 3.384 -7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.437 4.440 -4.438 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.658 5.580 -5.011 1.00 0.00 H new ATOM 863 N GLU A 59 10.794 7.065 -4.645 1.00 0.00 N ATOM 864 CA GLU A 59 11.757 8.084 -4.245 1.00 0.00 C ATOM 865 C GLU A 59 12.679 7.561 -3.147 1.00 0.00 C ATOM 866 O GLU A 59 12.219 7.026 -2.139 1.00 0.00 O ATOM 867 CB GLU A 59 11.032 9.342 -3.761 1.00 0.00 C ATOM 868 CG GLU A 59 11.819 10.622 -3.984 1.00 0.00 C ATOM 869 CD GLU A 59 11.857 11.037 -5.442 1.00 0.00 C ATOM 870 OE1 GLU A 59 10.804 10.964 -6.108 1.00 0.00 O ATOM 871 OE2 GLU A 59 12.942 11.436 -5.916 1.00 0.00 O ATOM 0 H GLU A 59 10.655 6.323 -3.959 1.00 0.00 H new ATOM 0 HA GLU A 59 12.363 8.335 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.074 9.420 -4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.815 9.240 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.376 11.424 -3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.838 10.485 -3.622 1.00 0.00 H new ATOM 878 N GLY A 60 13.983 7.720 -3.351 1.00 0.00 N ATOM 879 CA GLY A 60 14.949 7.258 -2.371 1.00 0.00 C ATOM 880 C GLY A 60 14.592 5.900 -1.801 1.00 0.00 C ATOM 881 O GLY A 60 14.644 4.891 -2.504 1.00 0.00 O ATOM 0 H GLY A 60 14.388 8.160 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.935 7.207 -2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.014 7.983 -1.560 1.00 0.00 H new ATOM 885 N ALA A 61 14.230 5.873 -0.522 1.00 0.00 N ATOM 886 CA ALA A 61 13.863 4.628 0.142 1.00 0.00 C ATOM 887 C ALA A 61 12.458 4.713 0.729 1.00 0.00 C ATOM 888 O ALA A 61 12.160 4.083 1.743 1.00 0.00 O ATOM 889 CB ALA A 61 14.872 4.294 1.231 1.00 0.00 C ATOM 0 H ALA A 61 14.183 6.699 0.075 1.00 0.00 H new ATOM 0 HA ALA A 61 13.870 3.832 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.586 3.362 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.862 4.183 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.892 5.097 1.967 1.00 0.00 H new ATOM 895 N MET A 62 11.599 5.495 0.084 1.00 0.00 N ATOM 896 CA MET A 62 10.224 5.661 0.542 1.00 0.00 C ATOM 897 C MET A 62 9.237 5.367 -0.582 1.00 0.00 C ATOM 898 O MET A 62 9.480 5.707 -1.741 1.00 0.00 O ATOM 899 CB MET A 62 10.008 7.081 1.069 1.00 0.00 C ATOM 900 CG MET A 62 8.544 7.439 1.267 1.00 0.00 C ATOM 901 SD MET A 62 7.738 6.404 2.505 1.00 0.00 S ATOM 902 CE MET A 62 7.071 7.650 3.605 1.00 0.00 C ATOM 0 H MET A 62 11.830 6.024 -0.757 1.00 0.00 H new ATOM 0 HA MET A 62 10.048 4.951 1.350 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.532 7.191 2.018 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.456 7.790 0.373 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.467 8.484 1.567 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.018 7.340 0.318 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.497 7.167 4.396 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.888 8.221 4.047 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.422 8.321 3.043 1.00 0.00 H new ATOM 912 N LEU A 63 8.123 4.733 -0.234 1.00 0.00 N ATOM 913 CA LEU A 63 7.098 4.392 -1.215 1.00 0.00 C ATOM 914 C LEU A 63 5.724 4.870 -0.755 1.00 0.00 C ATOM 915 O LEU A 63 5.465 4.985 0.442 1.00 0.00 O ATOM 916 CB LEU A 63 7.072 2.881 -1.451 1.00 0.00 C ATOM 917 CG LEU A 63 8.430 2.213 -1.669 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.361 0.736 -1.311 1.00 0.00 C ATOM 919 CD2 LEU A 63 8.888 2.393 -3.109 1.00 0.00 C ATOM 0 H LEU A 63 7.906 4.444 0.720 1.00 0.00 H new ATOM 0 HA LEU A 63 7.343 4.895 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.590 2.408 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.447 2.680 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 63 9.158 2.692 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.336 0.277 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.078 0.628 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.619 0.243 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.856 1.911 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.159 1.941 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.977 3.456 -3.332 1.00 0.00 H new ATOM 931 N GLU A 64 4.847 5.146 -1.716 1.00 0.00 N ATOM 932 CA GLU A 64 3.499 5.610 -1.409 1.00 0.00 C ATOM 933 C GLU A 64 2.504 5.122 -2.457 1.00 0.00 C ATOM 934 O GLU A 64 2.578 5.504 -3.626 1.00 0.00 O ATOM 935 CB GLU A 64 3.468 7.138 -1.331 1.00 0.00 C ATOM 936 CG GLU A 64 2.330 7.681 -0.483 1.00 0.00 C ATOM 937 CD GLU A 64 2.076 9.156 -0.722 1.00 0.00 C ATOM 938 OE1 GLU A 64 3.055 9.932 -0.741 1.00 0.00 O ATOM 939 OE2 GLU A 64 0.898 9.536 -0.891 1.00 0.00 O ATOM 0 H GLU A 64 5.046 5.056 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 64 3.211 5.198 -0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.415 7.492 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.384 7.543 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.421 7.120 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.559 7.522 0.571 1.00 0.00 H new ATOM 946 N LEU A 65 1.573 4.276 -2.031 1.00 0.00 N ATOM 947 CA LEU A 65 0.562 3.734 -2.933 1.00 0.00 C ATOM 948 C LEU A 65 -0.826 4.255 -2.570 1.00 0.00 C ATOM 949 O LEU A 65 -1.443 3.792 -1.611 1.00 0.00 O ATOM 950 CB LEU A 65 0.574 2.205 -2.885 1.00 0.00 C ATOM 951 CG LEU A 65 -0.601 1.503 -3.567 1.00 0.00 C ATOM 952 CD1 LEU A 65 -0.362 1.397 -5.065 1.00 0.00 C ATOM 953 CD2 LEU A 65 -0.823 0.125 -2.962 1.00 0.00 C ATOM 0 H LEU A 65 1.497 3.950 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 65 0.800 4.061 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.498 1.854 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.600 1.894 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.499 2.098 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.208 0.895 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.253 2.396 -5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.547 0.824 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.663 -0.360 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.075 -0.479 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.040 0.225 -1.899 1.00 0.00 H new ATOM 965 N VAL A 66 -1.311 5.219 -3.346 1.00 0.00 N ATOM 966 CA VAL A 66 -2.627 5.801 -3.109 1.00 0.00 C ATOM 967 C VAL A 66 -3.731 4.903 -3.657 1.00 0.00 C ATOM 968 O VAL A 66 -3.588 4.305 -4.723 1.00 0.00 O ATOM 969 CB VAL A 66 -2.748 7.195 -3.751 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.143 7.763 -3.535 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.689 8.133 -3.191 1.00 0.00 C ATOM 0 H VAL A 66 -0.813 5.613 -4.144 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.742 5.896 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.583 7.097 -4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.210 8.749 -3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.880 7.100 -3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.340 7.848 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.789 9.114 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.820 8.227 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.698 7.731 -3.402 1.00 0.00 H new ATOM 981 N VAL A 67 -4.834 4.814 -2.920 1.00 0.00 N ATOM 982 CA VAL A 67 -5.965 3.991 -3.333 1.00 0.00 C ATOM 983 C VAL A 67 -7.277 4.757 -3.207 1.00 0.00 C ATOM 984 O VAL A 67 -7.766 4.993 -2.102 1.00 0.00 O ATOM 985 CB VAL A 67 -6.054 2.701 -2.497 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.267 1.881 -2.908 1.00 0.00 C ATOM 987 CG2 VAL A 67 -4.777 1.886 -2.638 1.00 0.00 C ATOM 0 H VAL A 67 -4.968 5.302 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.801 3.728 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.169 2.975 -1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.313 0.973 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.173 2.467 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.186 1.614 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.857 0.978 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.629 1.620 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.929 2.476 -2.290 1.00 0.00 H new ATOM 997 N ARG A 68 -7.843 5.142 -4.347 1.00 0.00 N ATOM 998 CA ARG A 68 -9.099 5.882 -4.364 1.00 0.00 C ATOM 999 C ARG A 68 -10.287 4.933 -4.489 1.00 0.00 C ATOM 1000 O ARG A 68 -10.121 3.749 -4.780 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.109 6.884 -5.520 1.00 0.00 C ATOM 1002 CG ARG A 68 -7.928 7.841 -5.507 1.00 0.00 C ATOM 1003 CD ARG A 68 -7.942 8.759 -6.720 1.00 0.00 C ATOM 1004 NE ARG A 68 -7.274 10.030 -6.451 1.00 0.00 N ATOM 1005 CZ ARG A 68 -7.862 11.055 -5.845 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -9.122 10.960 -5.445 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -7.188 12.179 -5.637 1.00 0.00 N ATOM 0 H ARG A 68 -7.452 4.954 -5.270 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.186 6.423 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.113 6.338 -6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.033 7.460 -5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.953 8.439 -4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.998 7.273 -5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.452 8.262 -7.557 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.973 8.947 -7.020 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.303 10.136 -6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.643 10.098 -5.602 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.570 11.749 -4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.218 12.256 -5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.640 12.966 -5.172 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.486 5.462 -4.265 1.00 0.00 N ATOM 1022 CA ASN A 69 -12.702 4.662 -4.351 1.00 0.00 C ATOM 1023 C ASN A 69 -12.677 3.522 -3.337 1.00 0.00 C ATOM 1024 O ASN A 69 -12.838 2.355 -3.694 1.00 0.00 O ATOM 1025 CB ASN A 69 -12.868 4.099 -5.764 1.00 0.00 C ATOM 1026 CG ASN A 69 -14.283 3.625 -6.035 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -15.219 3.993 -5.326 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -14.445 2.803 -7.066 1.00 0.00 N ATOM 0 H ASN A 69 -11.641 6.441 -4.023 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.549 5.309 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.599 4.865 -6.491 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.176 3.268 -5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.374 2.451 -7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -13.640 2.524 -7.627 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.473 3.869 -2.071 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.427 2.876 -1.004 1.00 0.00 C ATOM 1037 C LEU A 70 -13.829 2.392 -0.649 1.00 0.00 C ATOM 1038 O LEU A 70 -14.823 3.021 -1.011 1.00 0.00 O ATOM 1039 CB LEU A 70 -11.748 3.461 0.236 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.358 4.061 0.020 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -9.921 4.850 1.244 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -9.349 2.967 -0.300 1.00 0.00 C ATOM 0 H LEU A 70 -12.337 4.830 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.848 2.024 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.395 4.234 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.670 2.675 0.988 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.406 4.744 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.930 5.269 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.630 5.657 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.890 4.190 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.365 3.412 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.304 2.260 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.654 2.445 -1.207 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.901 1.272 0.063 1.00 0.00 N ATOM 1055 CA ARG A 71 -15.181 0.704 0.468 1.00 0.00 C ATOM 1056 C ARG A 71 -15.004 -0.253 1.643 1.00 0.00 C ATOM 1057 O ARG A 71 -13.916 -0.771 1.895 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.833 -0.027 -0.707 1.00 0.00 C ATOM 1059 CG ARG A 71 -16.588 0.892 -1.653 1.00 0.00 C ATOM 1060 CD ARG A 71 -17.457 0.103 -2.620 1.00 0.00 C ATOM 1061 NE ARG A 71 -18.511 -0.636 -1.930 1.00 0.00 N ATOM 1062 CZ ARG A 71 -19.630 -1.043 -2.520 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -19.838 -0.785 -3.804 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -20.542 -1.711 -1.825 1.00 0.00 N ATOM 0 H ARG A 71 -13.087 0.740 0.371 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.830 1.521 0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -15.062 -0.557 -1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.520 -0.779 -0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -17.211 1.576 -1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.879 1.501 -2.213 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.906 0.784 -3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.834 -0.593 -3.182 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.381 -0.851 -0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.138 -0.273 -4.341 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -20.698 -1.099 -4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.384 -1.912 -0.838 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -21.401 -2.023 -2.278 1.00 0.00 H new ATOM 1078 N PRO A 72 -16.099 -0.495 2.379 1.00 0.00 N ATOM 1079 CA PRO A 72 -16.090 -1.391 3.539 1.00 0.00 C ATOM 1080 C PRO A 72 -15.916 -2.853 3.141 1.00 0.00 C ATOM 1081 O PRO A 72 -15.946 -3.744 3.990 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.467 -1.169 4.170 1.00 0.00 C ATOM 1083 CG PRO A 72 -18.328 -0.704 3.046 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.429 0.088 2.137 1.00 0.00 C ATOM 0 HA PRO A 72 -15.259 -1.179 4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.853 -2.088 4.611 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.422 -0.427 4.967 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.771 -1.549 2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.151 -0.090 3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.727 -0.010 1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.451 1.151 2.377 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.734 -3.091 1.846 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.556 -4.446 1.337 1.00 0.00 C ATOM 1094 C GLN A 73 -14.121 -4.667 0.870 1.00 0.00 C ATOM 1095 O GLN A 73 -13.552 -5.740 1.068 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.527 -4.712 0.186 1.00 0.00 C ATOM 1097 CG GLN A 73 -17.983 -4.772 0.619 1.00 0.00 C ATOM 1098 CD GLN A 73 -18.261 -5.917 1.573 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -18.409 -5.714 2.778 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -18.333 -7.130 1.037 1.00 0.00 N ATOM 0 H GLN A 73 -15.706 -2.364 1.131 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.766 -5.143 2.148 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.412 -3.929 -0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -16.260 -5.654 -0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -18.255 -3.831 1.098 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -18.616 -4.876 -0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -18.204 -7.252 0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -18.517 -7.939 1.630 1.00 0.00 H new ATOM 1109 N ASP A 74 -13.543 -3.645 0.249 1.00 0.00 N ATOM 1110 CA ASP A 74 -12.173 -3.728 -0.247 1.00 0.00 C ATOM 1111 C ASP A 74 -11.226 -4.202 0.851 1.00 0.00 C ATOM 1112 O ASP A 74 -10.319 -4.995 0.602 1.00 0.00 O ATOM 1113 CB ASP A 74 -11.718 -2.368 -0.779 1.00 0.00 C ATOM 1114 CG ASP A 74 -12.599 -1.862 -1.904 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -12.971 -2.674 -2.777 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -12.916 -0.655 -1.912 1.00 0.00 O ATOM 0 H ASP A 74 -14.001 -2.750 0.077 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.150 -4.454 -1.060 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.721 -1.643 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.690 -2.445 -1.133 1.00 0.00 H new ATOM 1121 N SER A 75 -11.443 -3.709 2.066 1.00 0.00 N ATOM 1122 CA SER A 75 -10.606 -4.078 3.202 1.00 0.00 C ATOM 1123 C SER A 75 -10.147 -5.529 3.090 1.00 0.00 C ATOM 1124 O SER A 75 -10.938 -6.456 3.257 1.00 0.00 O ATOM 1125 CB SER A 75 -11.367 -3.871 4.512 1.00 0.00 C ATOM 1126 OG SER A 75 -11.308 -2.518 4.929 1.00 0.00 O ATOM 0 H SER A 75 -12.191 -3.053 2.289 1.00 0.00 H new ATOM 0 HA SER A 75 -9.726 -3.435 3.197 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.407 -4.170 4.383 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.945 -4.512 5.286 1.00 0.00 H new ATOM 0 HG SER A 75 -10.477 -2.365 5.425 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.862 -5.717 2.804 1.00 0.00 N ATOM 1133 CA GLY A 76 -8.319 -7.056 2.674 1.00 0.00 C ATOM 1134 C GLY A 76 -6.921 -7.173 3.247 1.00 0.00 C ATOM 1135 O GLY A 76 -6.659 -6.718 4.361 1.00 0.00 O ATOM 0 H GLY A 76 -8.188 -4.965 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.976 -7.762 3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.301 -7.337 1.621 1.00 0.00 H new ATOM 1139 N ARG A 77 -6.021 -7.786 2.486 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.642 -7.964 2.925 1.00 0.00 C ATOM 1141 C ARG A 77 -3.664 -7.515 1.844 1.00 0.00 C ATOM 1142 O ARG A 77 -3.459 -8.211 0.849 1.00 0.00 O ATOM 1143 CB ARG A 77 -4.384 -9.429 3.285 1.00 0.00 C ATOM 1144 CG ARG A 77 -3.001 -9.680 3.863 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.726 -11.166 4.024 1.00 0.00 C ATOM 1146 NE ARG A 77 -2.779 -11.874 2.747 1.00 0.00 N ATOM 1147 CZ ARG A 77 -3.900 -12.356 2.221 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -5.053 -12.207 2.858 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -3.868 -12.988 1.055 1.00 0.00 N ATOM 0 H ARG A 77 -6.222 -8.168 1.562 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.487 -7.346 3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.134 -9.755 4.006 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.512 -10.042 2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.247 -9.238 3.211 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.915 -9.186 4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.744 -11.306 4.476 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.456 -11.598 4.708 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.909 -12.005 2.232 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.081 -11.721 3.754 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.912 -12.578 2.452 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.983 -13.104 0.562 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.729 -13.358 0.652 1.00 0.00 H new ATOM 1163 N TYR A 78 -3.063 -6.348 2.045 1.00 0.00 N ATOM 1164 CA TYR A 78 -2.109 -5.804 1.086 1.00 0.00 C ATOM 1165 C TYR A 78 -0.678 -6.150 1.485 1.00 0.00 C ATOM 1166 O TYR A 78 -0.321 -6.103 2.662 1.00 0.00 O ATOM 1167 CB TYR A 78 -2.268 -4.286 0.982 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.689 -3.843 0.717 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.170 -3.724 -0.581 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -4.550 -3.542 1.765 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.468 -3.318 -0.827 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.849 -3.137 1.528 1.00 0.00 C ATOM 1173 CZ TYR A 78 -6.303 -3.027 0.230 1.00 0.00 C ATOM 1174 OH TYR A 78 -7.597 -2.623 -0.010 1.00 0.00 O ATOM 0 H TYR A 78 -3.220 -5.760 2.864 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.314 -6.252 0.114 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.920 -3.828 1.908 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.626 -3.916 0.183 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.519 -3.953 -1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.198 -3.626 2.782 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.826 -3.229 -1.842 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.506 -2.908 2.354 1.00 0.00 H new ATOM 0 HH TYR A 78 -8.052 -2.459 0.842 1.00 0.00 H new ATOM 1184 N SER A 79 0.138 -6.498 0.495 1.00 0.00 N ATOM 1185 CA SER A 79 1.530 -6.856 0.741 1.00 0.00 C ATOM 1186 C SER A 79 2.422 -6.387 -0.404 1.00 0.00 C ATOM 1187 O SER A 79 1.973 -6.258 -1.543 1.00 0.00 O ATOM 1188 CB SER A 79 1.665 -8.369 0.921 1.00 0.00 C ATOM 1189 OG SER A 79 0.960 -8.811 2.068 1.00 0.00 O ATOM 0 H SER A 79 -0.141 -6.540 -0.485 1.00 0.00 H new ATOM 0 HA SER A 79 1.851 -6.358 1.656 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.283 -8.879 0.037 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.718 -8.635 1.013 1.00 0.00 H new ATOM 0 HG SER A 79 1.061 -9.781 2.160 1.00 0.00 H new ATOM 1195 N CYS A 80 3.689 -6.133 -0.092 1.00 0.00 N ATOM 1196 CA CYS A 80 4.646 -5.677 -1.094 1.00 0.00 C ATOM 1197 C CYS A 80 5.858 -6.601 -1.148 1.00 0.00 C ATOM 1198 O CYS A 80 6.472 -6.896 -0.122 1.00 0.00 O ATOM 1199 CB CYS A 80 5.092 -4.246 -0.790 1.00 0.00 C ATOM 1200 SG CYS A 80 6.515 -3.695 -1.759 1.00 0.00 S ATOM 0 H CYS A 80 4.077 -6.235 0.846 1.00 0.00 H new ATOM 0 HA CYS A 80 4.154 -5.697 -2.066 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.257 -3.570 -0.974 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.336 -4.170 0.270 1.00 0.00 H new ATOM 0 HG CYS A 80 6.353 -4.039 -3.002 1.00 0.00 H new ATOM 1206 N SER A 81 6.198 -7.054 -2.350 1.00 0.00 N ATOM 1207 CA SER A 81 7.334 -7.949 -2.537 1.00 0.00 C ATOM 1208 C SER A 81 8.620 -7.157 -2.749 1.00 0.00 C ATOM 1209 O SER A 81 8.709 -6.325 -3.653 1.00 0.00 O ATOM 1210 CB SER A 81 7.090 -8.876 -3.729 1.00 0.00 C ATOM 1211 OG SER A 81 8.136 -9.821 -3.863 1.00 0.00 O ATOM 0 H SER A 81 5.703 -6.816 -3.209 1.00 0.00 H new ATOM 0 HA SER A 81 7.443 -8.551 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.141 -9.396 -3.601 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.010 -8.286 -4.642 1.00 0.00 H new ATOM 0 HG SER A 81 7.955 -10.402 -4.631 1.00 0.00 H new ATOM 1217 N PHE A 82 9.616 -7.421 -1.910 1.00 0.00 N ATOM 1218 CA PHE A 82 10.898 -6.733 -2.004 1.00 0.00 C ATOM 1219 C PHE A 82 12.052 -7.691 -1.723 1.00 0.00 C ATOM 1220 O PHE A 82 12.162 -8.243 -0.629 1.00 0.00 O ATOM 1221 CB PHE A 82 10.944 -5.559 -1.023 1.00 0.00 C ATOM 1222 CG PHE A 82 12.272 -4.858 -0.989 1.00 0.00 C ATOM 1223 CD1 PHE A 82 12.857 -4.396 -2.157 1.00 0.00 C ATOM 1224 CD2 PHE A 82 12.936 -4.663 0.212 1.00 0.00 C ATOM 1225 CE1 PHE A 82 14.079 -3.750 -2.128 1.00 0.00 C ATOM 1226 CE2 PHE A 82 14.158 -4.017 0.246 1.00 0.00 C ATOM 1227 CZ PHE A 82 14.730 -3.562 -0.925 1.00 0.00 C ATOM 0 H PHE A 82 9.560 -8.107 -1.157 1.00 0.00 H new ATOM 0 HA PHE A 82 11.004 -6.353 -3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.170 -4.841 -1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.708 -5.922 -0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.353 -4.542 -3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.494 -5.019 1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.524 -3.393 -3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.665 -3.868 1.188 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.686 -3.060 -0.900 1.00 0.00 H new ATOM 1237 N GLY A 83 12.910 -7.884 -2.720 1.00 0.00 N ATOM 1238 CA GLY A 83 14.044 -8.776 -2.561 1.00 0.00 C ATOM 1239 C GLY A 83 13.629 -10.169 -2.130 1.00 0.00 C ATOM 1240 O GLY A 83 13.155 -10.962 -2.943 1.00 0.00 O ATOM 0 H GLY A 83 12.840 -7.439 -3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.589 -8.838 -3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.729 -8.360 -1.823 1.00 0.00 H new ATOM 1244 N ASP A 84 13.809 -10.468 -0.848 1.00 0.00 N ATOM 1245 CA ASP A 84 13.451 -11.775 -0.310 1.00 0.00 C ATOM 1246 C ASP A 84 12.390 -11.643 0.778 1.00 0.00 C ATOM 1247 O ASP A 84 11.545 -12.522 0.942 1.00 0.00 O ATOM 1248 CB ASP A 84 14.690 -12.476 0.251 1.00 0.00 C ATOM 1249 CG ASP A 84 15.625 -11.518 0.962 1.00 0.00 C ATOM 1250 OD1 ASP A 84 16.253 -10.684 0.277 1.00 0.00 O ATOM 1251 OD2 ASP A 84 15.730 -11.603 2.204 1.00 0.00 O ATOM 0 H ASP A 84 14.201 -9.823 -0.162 1.00 0.00 H new ATOM 0 HA ASP A 84 13.040 -12.375 -1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.379 -13.257 0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.226 -12.966 -0.562 1.00 0.00 H new ATOM 1256 N GLN A 85 12.442 -10.540 1.517 1.00 0.00 N ATOM 1257 CA GLN A 85 11.486 -10.295 2.590 1.00 0.00 C ATOM 1258 C GLN A 85 10.218 -9.641 2.051 1.00 0.00 C ATOM 1259 O GLN A 85 10.261 -8.880 1.084 1.00 0.00 O ATOM 1260 CB GLN A 85 12.112 -9.407 3.667 1.00 0.00 C ATOM 1261 CG GLN A 85 13.085 -10.145 4.573 1.00 0.00 C ATOM 1262 CD GLN A 85 12.402 -10.779 5.769 1.00 0.00 C ATOM 1263 OE1 GLN A 85 11.196 -11.027 5.751 1.00 0.00 O ATOM 1264 NE2 GLN A 85 13.172 -11.045 6.818 1.00 0.00 N ATOM 0 H GLN A 85 13.135 -9.802 1.393 1.00 0.00 H new ATOM 0 HA GLN A 85 11.219 -11.256 3.030 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.633 -8.579 3.186 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.318 -8.974 4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.595 -10.918 3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.849 -9.450 4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.167 -10.823 6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.768 -11.472 7.652 1.00 0.00 H new ATOM 1273 N THR A 86 9.087 -9.944 2.682 1.00 0.00 N ATOM 1274 CA THR A 86 7.806 -9.388 2.264 1.00 0.00 C ATOM 1275 C THR A 86 7.044 -8.812 3.452 1.00 0.00 C ATOM 1276 O THR A 86 7.222 -9.250 4.589 1.00 0.00 O ATOM 1277 CB THR A 86 6.931 -10.450 1.572 1.00 0.00 C ATOM 1278 OG1 THR A 86 7.626 -11.000 0.448 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.611 -9.848 1.114 1.00 0.00 C ATOM 0 H THR A 86 9.033 -10.571 3.484 1.00 0.00 H new ATOM 0 HA THR A 86 8.024 -8.590 1.554 1.00 0.00 H new ATOM 0 HB THR A 86 6.721 -11.242 2.291 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.064 -11.676 0.014 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.010 -10.616 0.628 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.071 -9.456 1.976 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.805 -9.040 0.409 1.00 0.00 H new ATOM 1287 N THR A 87 6.191 -7.828 3.182 1.00 0.00 N ATOM 1288 CA THR A 87 5.401 -7.193 4.229 1.00 0.00 C ATOM 1289 C THR A 87 3.909 -7.313 3.941 1.00 0.00 C ATOM 1290 O THR A 87 3.502 -7.523 2.798 1.00 0.00 O ATOM 1291 CB THR A 87 5.765 -5.704 4.381 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.144 -5.166 5.554 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.325 -4.912 3.159 1.00 0.00 C ATOM 0 H THR A 87 6.030 -7.454 2.247 1.00 0.00 H new ATOM 0 HA THR A 87 5.631 -7.713 5.159 1.00 0.00 H new ATOM 0 HB THR A 87 6.848 -5.625 4.475 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.678 -4.335 5.325 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.593 -3.863 3.289 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.821 -5.306 2.272 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.245 -4.999 3.039 1.00 0.00 H new ATOM 1301 N SER A 88 3.097 -7.177 4.984 1.00 0.00 N ATOM 1302 CA SER A 88 1.648 -7.273 4.843 1.00 0.00 C ATOM 1303 C SER A 88 0.943 -6.432 5.902 1.00 0.00 C ATOM 1304 O SER A 88 1.281 -6.491 7.084 1.00 0.00 O ATOM 1305 CB SER A 88 1.200 -8.732 4.952 1.00 0.00 C ATOM 1306 OG SER A 88 1.525 -9.272 6.221 1.00 0.00 O ATOM 0 H SER A 88 3.417 -7.000 5.936 1.00 0.00 H new ATOM 0 HA SER A 88 1.376 -6.889 3.860 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.124 -8.798 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.677 -9.322 4.169 1.00 0.00 H new ATOM 0 HG SER A 88 1.643 -8.544 6.866 1.00 0.00 H new ATOM 1312 N ALA A 89 -0.041 -5.651 5.469 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.797 -4.799 6.379 1.00 0.00 C ATOM 1314 C ALA A 89 -2.297 -4.928 6.134 1.00 0.00 C ATOM 1315 O ALA A 89 -2.726 -5.536 5.153 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.359 -3.349 6.232 1.00 0.00 C ATOM 0 H ALA A 89 -0.333 -5.591 4.494 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.592 -5.127 7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.932 -2.725 6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.702 -3.264 6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.533 -3.018 5.208 1.00 0.00 H new ATOM 1322 N THR A 90 -3.090 -4.352 7.032 1.00 0.00 N ATOM 1323 CA THR A 90 -4.542 -4.405 6.914 1.00 0.00 C ATOM 1324 C THR A 90 -5.160 -3.026 7.117 1.00 0.00 C ATOM 1325 O THR A 90 -4.923 -2.372 8.133 1.00 0.00 O ATOM 1326 CB THR A 90 -5.154 -5.384 7.933 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.533 -6.669 7.811 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.654 -5.518 7.722 1.00 0.00 C ATOM 0 H THR A 90 -2.751 -3.844 7.849 1.00 0.00 H new ATOM 0 HA THR A 90 -4.764 -4.756 5.906 1.00 0.00 H new ATOM 0 HB THR A 90 -4.978 -4.989 8.934 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.926 -7.286 8.463 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.064 -6.215 8.453 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.127 -4.544 7.844 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.848 -5.892 6.717 1.00 0.00 H new ATOM 1336 N LEU A 91 -5.953 -2.590 6.145 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.607 -1.288 6.217 1.00 0.00 C ATOM 1338 C LEU A 91 -8.026 -1.420 6.762 1.00 0.00 C ATOM 1339 O LEU A 91 -8.749 -2.357 6.421 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.638 -0.633 4.835 1.00 0.00 C ATOM 1341 CG LEU A 91 -7.522 0.608 4.700 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -6.980 1.744 5.554 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.622 1.035 3.242 1.00 0.00 C ATOM 0 H LEU A 91 -6.159 -3.119 5.297 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.033 -0.659 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.619 -0.360 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.975 -1.375 4.111 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.522 0.359 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.621 2.619 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.960 1.436 6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.969 1.993 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.255 1.919 3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.627 1.266 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.056 0.226 2.655 1.00 0.00 H new ATOM 1355 N THR A 92 -8.419 -0.475 7.609 1.00 0.00 N ATOM 1356 CA THR A 92 -9.752 -0.485 8.200 1.00 0.00 C ATOM 1357 C THR A 92 -10.656 0.545 7.534 1.00 0.00 C ATOM 1358 O THR A 92 -10.315 1.725 7.451 1.00 0.00 O ATOM 1359 CB THR A 92 -9.697 -0.201 9.714 1.00 0.00 C ATOM 1360 OG1 THR A 92 -8.940 -1.220 10.376 1.00 0.00 O ATOM 1361 CG2 THR A 92 -11.098 -0.138 10.303 1.00 0.00 C ATOM 0 H THR A 92 -7.834 0.307 7.902 1.00 0.00 H new ATOM 0 HA THR A 92 -10.162 -1.482 8.039 1.00 0.00 H new ATOM 0 HB THR A 92 -9.214 0.764 9.864 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.908 -1.032 11.337 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.034 0.063 11.372 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.662 0.658 9.817 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.603 -1.090 10.143 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.813 0.092 7.062 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.769 0.976 6.404 1.00 0.00 C ATOM 1371 C VAL A 93 -14.094 1.009 7.157 1.00 0.00 C ATOM 1372 O VAL A 93 -14.775 -0.009 7.284 1.00 0.00 O ATOM 1373 CB VAL A 93 -13.028 0.539 4.950 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -14.030 1.470 4.283 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.724 0.497 4.167 1.00 0.00 C ATOM 0 H VAL A 93 -12.111 -0.882 7.123 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.330 1.974 6.403 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.452 -0.465 4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.201 1.146 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.971 1.445 4.832 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.637 2.487 4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.925 0.186 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.270 1.488 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.042 -0.213 4.634 1.00 0.00 H new ATOM 1385 N THR A 94 -14.457 2.188 7.654 1.00 0.00 N ATOM 1386 CA THR A 94 -15.701 2.354 8.395 1.00 0.00 C ATOM 1387 C THR A 94 -16.841 2.765 7.470 1.00 0.00 C ATOM 1388 O THR A 94 -16.648 3.553 6.544 1.00 0.00 O ATOM 1389 CB THR A 94 -15.554 3.408 9.509 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.495 3.036 10.398 1.00 0.00 O ATOM 1391 CG2 THR A 94 -16.851 3.554 10.291 1.00 0.00 C ATOM 0 H THR A 94 -13.907 3.041 7.557 1.00 0.00 H new ATOM 0 HA THR A 94 -15.932 1.389 8.846 1.00 0.00 H new ATOM 0 HB THR A 94 -15.319 4.365 9.044 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.407 3.712 11.102 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.723 4.304 11.072 1.00 0.00 H new ATOM 0 HG22 THR A 94 -17.649 3.865 9.617 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.112 2.598 10.745 1.00 0.00 H new ATOM 1399 N ALA A 95 -18.028 2.227 7.727 1.00 0.00 N ATOM 1400 CA ALA A 95 -19.200 2.540 6.919 1.00 0.00 C ATOM 1401 C ALA A 95 -19.854 3.838 7.380 1.00 0.00 C ATOM 1402 O ALA A 95 -20.197 3.991 8.553 1.00 0.00 O ATOM 1403 CB ALA A 95 -20.200 1.395 6.974 1.00 0.00 C ATOM 0 H ALA A 95 -18.204 1.572 8.489 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.874 2.674 5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -21.070 1.642 6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.735 0.487 6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.512 1.234 8.006 1.00 0.00 H new ATOM 1409 N LEU A 96 -20.023 4.772 6.450 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.635 6.059 6.761 1.00 0.00 C ATOM 1411 C LEU A 96 -22.141 5.912 6.960 1.00 0.00 C ATOM 1412 O LEU A 96 -22.796 5.079 6.333 1.00 0.00 O ATOM 1413 CB LEU A 96 -20.353 7.064 5.643 1.00 0.00 C ATOM 1414 CG LEU A 96 -21.392 7.133 4.524 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -22.597 7.950 4.963 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -20.778 7.721 3.262 1.00 0.00 C ATOM 0 H LEU A 96 -19.745 4.662 5.475 1.00 0.00 H new ATOM 0 HA LEU A 96 -20.198 6.426 7.690 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.261 8.055 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.387 6.822 5.200 1.00 0.00 H new ATOM 0 HG LEU A 96 -21.727 6.120 4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -23.326 7.988 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -23.051 7.486 5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -22.279 8.962 5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -21.532 7.763 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -20.414 8.727 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.948 7.095 2.936 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.704 6.741 7.851 1.00 0.00 N ATOM 1429 CA PRO A 97 -24.139 6.724 8.151 1.00 0.00 C ATOM 1430 C PRO A 97 -24.980 7.244 6.990 1.00 0.00 C ATOM 1431 O PRO A 97 -25.062 8.451 6.762 1.00 0.00 O ATOM 1432 CB PRO A 97 -24.260 7.657 9.358 1.00 0.00 C ATOM 1433 CG PRO A 97 -23.089 8.572 9.249 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.984 7.758 8.635 1.00 0.00 C ATOM 0 HA PRO A 97 -24.504 5.714 8.337 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -25.198 8.211 9.337 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -24.240 7.098 10.294 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.326 9.438 8.630 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.797 8.951 10.229 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -21.338 8.369 8.004 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -21.349 7.304 9.396 1.00 0.00 H new