USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=22 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 42 CYS SG : rot 20:sc= 0.369 USER MOD Set 1.2: A 79 SER OG : rot 8:sc= 0.141 USER MOD Single : A 12 GLN : amide:sc= -1.9! C(o=-1.9!,f=-1.5!) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.148) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -2.85 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= -0.392 (180deg=-1.52!) 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 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.0278 (180deg=-0.243) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.88 K(o=-2.9,f=-6.8!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.667 K(o=-0.67,f=0.017) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot -72:sc= 0.0569 USER MOD Single : A 78 TYR OH : rot 171:sc= 0.568 USER MOD Single : A 80 CYS SG : rot 28:sc= 0.477 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.027 K(o=-0.027,f=-1.6!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -128:sc= -1.54! USER MOD Single : A 88 SER OG : rot 25:sc= 0.0833 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 18.750 -5.782 1.914 1.00 0.00 N ATOM 81 CA VAL A 9 17.867 -4.753 2.448 1.00 0.00 C ATOM 82 C VAL A 9 16.614 -5.368 3.061 1.00 0.00 C ATOM 83 O VAL A 9 15.838 -6.034 2.375 1.00 0.00 O ATOM 84 CB VAL A 9 17.452 -3.747 1.358 1.00 0.00 C ATOM 85 CG1 VAL A 9 16.481 -2.721 1.920 1.00 0.00 C ATOM 86 CG2 VAL A 9 18.677 -3.067 0.767 1.00 0.00 C ATOM 0 HA VAL A 9 18.426 -4.227 3.222 1.00 0.00 H new ATOM 0 HB VAL A 9 16.946 -4.290 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.199 -2.019 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.590 -3.228 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.957 -2.180 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 9 18.365 -2.360 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 9 19.213 -2.536 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 9 19.332 -3.818 0.325 1.00 0.00 H new ATOM 96 N ARG A 10 16.422 -5.140 4.356 1.00 0.00 N ATOM 97 CA ARG A 10 15.263 -5.672 5.062 1.00 0.00 C ATOM 98 C ARG A 10 14.205 -4.591 5.263 1.00 0.00 C ATOM 99 O ARG A 10 14.488 -3.399 5.135 1.00 0.00 O ATOM 100 CB ARG A 10 15.683 -6.248 6.416 1.00 0.00 C ATOM 101 CG ARG A 10 16.688 -7.383 6.309 1.00 0.00 C ATOM 102 CD ARG A 10 17.187 -7.815 7.679 1.00 0.00 C ATOM 103 NE ARG A 10 18.479 -8.492 7.602 1.00 0.00 N ATOM 104 CZ ARG A 10 18.630 -9.744 7.186 1.00 0.00 C ATOM 105 NH1 ARG A 10 17.574 -10.453 6.810 1.00 0.00 N ATOM 106 NH2 ARG A 10 19.838 -10.290 7.144 1.00 0.00 N ATOM 0 H ARG A 10 17.054 -4.590 4.938 1.00 0.00 H new ATOM 0 HA ARG A 10 14.833 -6.468 4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.111 -5.451 7.024 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.797 -6.607 6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.227 -8.232 5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.532 -7.067 5.696 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.273 -6.942 8.325 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.456 -8.480 8.138 1.00 0.00 H new ATOM 0 HE ARG A 10 19.312 -7.974 7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.643 -10.037 6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.693 -11.414 6.491 1.00 0.00 H new ATOM 0 HH21 ARG A 10 20.653 -9.748 7.432 1.00 0.00 H new ATOM 0 HH22 ARG A 10 19.952 -11.252 6.824 1.00 0.00 H new ATOM 120 N PHE A 11 12.986 -5.015 5.579 1.00 0.00 N ATOM 121 CA PHE A 11 11.885 -4.083 5.796 1.00 0.00 C ATOM 122 C PHE A 11 12.036 -3.365 7.134 1.00 0.00 C ATOM 123 O PHE A 11 11.605 -3.868 8.171 1.00 0.00 O ATOM 124 CB PHE A 11 10.546 -4.823 5.750 1.00 0.00 C ATOM 125 CG PHE A 11 9.944 -4.887 4.375 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.355 -3.768 3.810 1.00 0.00 C ATOM 127 CD2 PHE A 11 9.968 -6.066 3.648 1.00 0.00 C ATOM 128 CE1 PHE A 11 8.799 -3.825 2.545 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.415 -6.129 2.383 1.00 0.00 C ATOM 130 CZ PHE A 11 8.831 -5.006 1.831 1.00 0.00 C ATOM 0 H PHE A 11 12.735 -5.997 5.691 1.00 0.00 H new ATOM 0 HA PHE A 11 11.909 -3.339 5.000 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.687 -5.837 6.124 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.844 -4.330 6.423 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.330 -2.841 4.363 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.424 -6.947 4.075 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.340 -2.946 2.116 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.440 -7.055 1.827 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.400 -5.052 0.842 1.00 0.00 H new ATOM 140 N GLN A 12 12.652 -2.188 7.101 1.00 0.00 N ATOM 141 CA GLN A 12 12.862 -1.402 8.311 1.00 0.00 C ATOM 142 C GLN A 12 11.543 -0.836 8.828 1.00 0.00 C ATOM 143 O GLN A 12 11.114 -1.152 9.937 1.00 0.00 O ATOM 144 CB GLN A 12 13.848 -0.264 8.041 1.00 0.00 C ATOM 145 CG GLN A 12 14.588 0.207 9.282 1.00 0.00 C ATOM 146 CD GLN A 12 13.675 0.360 10.483 1.00 0.00 C ATOM 147 OE1 GLN A 12 13.769 -0.399 11.448 1.00 0.00 O ATOM 148 NE2 GLN A 12 12.786 1.344 10.430 1.00 0.00 N ATOM 0 H GLN A 12 13.014 -1.758 6.250 1.00 0.00 H new ATOM 0 HA GLN A 12 13.278 -2.060 9.074 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.574 -0.593 7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.308 0.578 7.608 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.379 -0.504 9.520 1.00 0.00 H new ATOM 0 HG3 GLN A 12 15.070 1.162 9.073 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.743 1.949 9.610 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.145 1.495 11.209 1.00 0.00 H new ATOM 157 N GLU A 13 10.906 0.003 8.016 1.00 0.00 N ATOM 158 CA GLU A 13 9.637 0.613 8.393 1.00 0.00 C ATOM 159 C GLU A 13 8.530 0.208 7.425 1.00 0.00 C ATOM 160 O GLU A 13 7.882 1.059 6.815 1.00 0.00 O ATOM 161 CB GLU A 13 9.769 2.137 8.426 1.00 0.00 C ATOM 162 CG GLU A 13 8.847 2.806 9.432 1.00 0.00 C ATOM 163 CD GLU A 13 8.855 4.318 9.316 1.00 0.00 C ATOM 164 OE1 GLU A 13 8.059 4.856 8.518 1.00 0.00 O ATOM 165 OE2 GLU A 13 9.658 4.963 10.022 1.00 0.00 O ATOM 0 H GLU A 13 11.248 0.275 7.094 1.00 0.00 H new ATOM 0 HA GLU A 13 9.373 0.257 9.389 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.801 2.399 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.558 2.533 7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.831 2.440 9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.148 2.521 10.440 1.00 0.00 H new ATOM 172 N ALA A 14 8.318 -1.097 7.289 1.00 0.00 N ATOM 173 CA ALA A 14 7.289 -1.615 6.397 1.00 0.00 C ATOM 174 C ALA A 14 5.961 -0.899 6.616 1.00 0.00 C ATOM 175 O ALA A 14 5.847 -0.033 7.484 1.00 0.00 O ATOM 176 CB ALA A 14 7.122 -3.114 6.598 1.00 0.00 C ATOM 0 H ALA A 14 8.846 -1.815 7.786 1.00 0.00 H new ATOM 0 HA ALA A 14 7.606 -1.430 5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.350 -3.488 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.065 -3.617 6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.831 -3.313 7.630 1.00 0.00 H new ATOM 182 N LEU A 15 4.960 -1.264 5.823 1.00 0.00 N ATOM 183 CA LEU A 15 3.638 -0.655 5.929 1.00 0.00 C ATOM 184 C LEU A 15 3.061 -0.848 7.328 1.00 0.00 C ATOM 185 O LEU A 15 3.684 -1.472 8.188 1.00 0.00 O ATOM 186 CB LEU A 15 2.692 -1.257 4.888 1.00 0.00 C ATOM 187 CG LEU A 15 3.227 -1.327 3.457 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.486 -2.392 2.663 1.00 0.00 C ATOM 189 CD2 LEU A 15 3.107 0.029 2.776 1.00 0.00 C ATOM 0 H LEU A 15 5.038 -1.979 5.099 1.00 0.00 H new ATOM 0 HA LEU A 15 3.741 0.414 5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.428 -2.266 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.771 -0.674 4.882 1.00 0.00 H new ATOM 0 HG LEU A 15 4.282 -1.599 3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.880 -2.428 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.623 -3.363 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.424 -2.150 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.492 -0.039 1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.060 0.331 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.683 0.768 3.333 1.00 0.00 H new ATOM 201 N LYS A 16 1.867 -0.309 7.549 1.00 0.00 N ATOM 202 CA LYS A 16 1.203 -0.423 8.842 1.00 0.00 C ATOM 203 C LYS A 16 -0.308 -0.286 8.692 1.00 0.00 C ATOM 204 O LYS A 16 -0.797 0.245 7.694 1.00 0.00 O ATOM 205 CB LYS A 16 1.729 0.644 9.805 1.00 0.00 C ATOM 206 CG LYS A 16 3.172 0.426 10.225 1.00 0.00 C ATOM 207 CD LYS A 16 3.500 1.176 11.505 1.00 0.00 C ATOM 208 CE LYS A 16 3.971 2.593 11.216 1.00 0.00 C ATOM 209 NZ LYS A 16 2.835 3.553 11.152 1.00 0.00 N ATOM 0 H LYS A 16 1.339 0.212 6.849 1.00 0.00 H new ATOM 0 HA LYS A 16 1.422 -1.410 9.248 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.641 1.623 9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.099 0.661 10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.353 -0.639 10.370 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.838 0.757 9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.618 1.208 12.145 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.274 0.639 12.054 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.670 2.908 11.991 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.514 2.610 10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.197 4.525 11.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.334 3.438 10.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.179 3.368 11.938 1.00 0.00 H new ATOM 223 N ASP A 17 -1.044 -0.767 9.688 1.00 0.00 N ATOM 224 CA ASP A 17 -2.500 -0.696 9.667 1.00 0.00 C ATOM 225 C ASP A 17 -2.973 0.755 9.680 1.00 0.00 C ATOM 226 O ASP A 17 -2.535 1.555 10.508 1.00 0.00 O ATOM 227 CB ASP A 17 -3.086 -1.447 10.864 1.00 0.00 C ATOM 228 CG ASP A 17 -2.836 -2.940 10.789 1.00 0.00 C ATOM 229 OD1 ASP A 17 -1.879 -3.347 10.099 1.00 0.00 O ATOM 230 OD2 ASP A 17 -3.600 -3.702 11.419 1.00 0.00 O ATOM 0 H ASP A 17 -0.656 -1.210 10.520 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.849 -1.165 8.747 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.652 -1.055 11.784 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.159 -1.263 10.915 1.00 0.00 H new ATOM 235 N LEU A 18 -3.869 1.087 8.757 1.00 0.00 N ATOM 236 CA LEU A 18 -4.401 2.442 8.660 1.00 0.00 C ATOM 237 C LEU A 18 -5.923 2.438 8.771 1.00 0.00 C ATOM 238 O LEU A 18 -6.595 1.597 8.177 1.00 0.00 O ATOM 239 CB LEU A 18 -3.977 3.085 7.339 1.00 0.00 C ATOM 240 CG LEU A 18 -2.471 3.247 7.125 1.00 0.00 C ATOM 241 CD1 LEU A 18 -2.135 3.198 5.642 1.00 0.00 C ATOM 242 CD2 LEU A 18 -1.982 4.549 7.742 1.00 0.00 C ATOM 0 H LEU A 18 -4.242 0.437 8.065 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.995 3.025 9.487 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.378 2.486 6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.441 4.069 7.271 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.961 2.420 7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.060 3.315 5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.450 2.240 5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.655 4.004 5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.909 4.648 7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.498 5.389 7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.189 4.545 8.812 1.00 0.00 H new ATOM 254 N GLU A 19 -6.457 3.386 9.535 1.00 0.00 N ATOM 255 CA GLU A 19 -7.900 3.492 9.722 1.00 0.00 C ATOM 256 C GLU A 19 -8.440 4.764 9.076 1.00 0.00 C ATOM 257 O GLU A 19 -8.178 5.872 9.546 1.00 0.00 O ATOM 258 CB GLU A 19 -8.245 3.476 11.212 1.00 0.00 C ATOM 259 CG GLU A 19 -9.739 3.489 11.491 1.00 0.00 C ATOM 260 CD GLU A 19 -10.095 2.805 12.797 1.00 0.00 C ATOM 261 OE1 GLU A 19 -10.174 1.559 12.812 1.00 0.00 O ATOM 262 OE2 GLU A 19 -10.294 3.517 13.803 1.00 0.00 O ATOM 0 H GLU A 19 -5.913 4.090 10.034 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.368 2.634 9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.806 2.589 11.668 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.787 4.341 11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.091 4.520 11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.262 2.995 10.672 1.00 0.00 H new ATOM 269 N VAL A 20 -9.196 4.598 7.995 1.00 0.00 N ATOM 270 CA VAL A 20 -9.774 5.732 7.284 1.00 0.00 C ATOM 271 C VAL A 20 -11.221 5.455 6.894 1.00 0.00 C ATOM 272 O VAL A 20 -11.604 4.309 6.656 1.00 0.00 O ATOM 273 CB VAL A 20 -8.967 6.070 6.017 1.00 0.00 C ATOM 274 CG1 VAL A 20 -9.528 7.313 5.343 1.00 0.00 C ATOM 275 CG2 VAL A 20 -7.496 6.255 6.356 1.00 0.00 C ATOM 0 H VAL A 20 -9.422 3.688 7.593 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.741 6.583 7.964 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.053 5.237 5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.945 7.537 4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.567 7.138 5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.474 8.156 6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.941 6.493 5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.387 7.069 7.072 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.104 5.335 6.790 1.00 0.00 H new ATOM 285 N LEU A 21 -12.023 6.513 6.828 1.00 0.00 N ATOM 286 CA LEU A 21 -13.430 6.385 6.465 1.00 0.00 C ATOM 287 C LEU A 21 -13.587 6.153 4.966 1.00 0.00 C ATOM 288 O LEU A 21 -12.751 6.583 4.172 1.00 0.00 O ATOM 289 CB LEU A 21 -14.200 7.639 6.883 1.00 0.00 C ATOM 290 CG LEU A 21 -15.691 7.448 7.166 1.00 0.00 C ATOM 291 CD1 LEU A 21 -16.178 8.475 8.176 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.495 7.540 5.878 1.00 0.00 C ATOM 0 H LEU A 21 -11.723 7.468 7.021 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.839 5.523 6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.730 8.048 7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.093 8.386 6.097 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.836 6.454 7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.241 8.324 8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.624 8.360 9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.019 9.478 7.780 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.553 7.402 6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.344 8.519 5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.164 6.765 5.187 1.00 0.00 H new ATOM 304 N GLU A 22 -14.664 5.474 4.587 1.00 0.00 N ATOM 305 CA GLU A 22 -14.931 5.187 3.182 1.00 0.00 C ATOM 306 C GLU A 22 -15.107 6.478 2.387 1.00 0.00 C ATOM 307 O GLU A 22 -15.028 7.575 2.938 1.00 0.00 O ATOM 308 CB GLU A 22 -16.181 4.315 3.045 1.00 0.00 C ATOM 309 CG GLU A 22 -17.479 5.073 3.268 1.00 0.00 C ATOM 310 CD GLU A 22 -18.667 4.401 2.608 1.00 0.00 C ATOM 311 OE1 GLU A 22 -18.702 4.348 1.361 1.00 0.00 O ATOM 312 OE2 GLU A 22 -19.563 3.929 3.339 1.00 0.00 O ATOM 0 H GLU A 22 -15.366 5.112 5.232 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.075 4.647 2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.196 3.870 2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.122 3.495 3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.665 5.161 4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.376 6.086 2.878 1.00 0.00 H new ATOM 319 N GLY A 23 -15.347 6.337 1.087 1.00 0.00 N ATOM 320 CA GLY A 23 -15.530 7.499 0.237 1.00 0.00 C ATOM 321 C GLY A 23 -14.401 8.500 0.372 1.00 0.00 C ATOM 322 O GLY A 23 -14.638 9.703 0.477 1.00 0.00 O ATOM 0 H GLY A 23 -15.418 5.440 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.604 7.177 -0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.473 7.984 0.488 1.00 0.00 H new ATOM 326 N GLY A 24 -13.168 8.004 0.372 1.00 0.00 N ATOM 327 CA GLY A 24 -12.016 8.877 0.499 1.00 0.00 C ATOM 328 C GLY A 24 -10.784 8.315 -0.182 1.00 0.00 C ATOM 329 O GLY A 24 -10.880 7.693 -1.239 1.00 0.00 O ATOM 0 H GLY A 24 -12.946 7.012 0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.253 9.850 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.801 9.039 1.555 1.00 0.00 H new ATOM 333 N ALA A 25 -9.622 8.534 0.425 1.00 0.00 N ATOM 334 CA ALA A 25 -8.366 8.044 -0.129 1.00 0.00 C ATOM 335 C ALA A 25 -7.455 7.505 0.969 1.00 0.00 C ATOM 336 O ALA A 25 -7.331 8.106 2.036 1.00 0.00 O ATOM 337 CB ALA A 25 -7.664 9.149 -0.904 1.00 0.00 C ATOM 0 H ALA A 25 -9.525 9.048 1.301 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.594 7.225 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.727 8.769 -1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.305 9.485 -1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.456 9.986 -0.237 1.00 0.00 H new ATOM 343 N ALA A 26 -6.821 6.369 0.700 1.00 0.00 N ATOM 344 CA ALA A 26 -5.920 5.750 1.665 1.00 0.00 C ATOM 345 C ALA A 26 -4.481 5.765 1.161 1.00 0.00 C ATOM 346 O ALA A 26 -4.149 5.102 0.178 1.00 0.00 O ATOM 347 CB ALA A 26 -6.363 4.324 1.961 1.00 0.00 C ATOM 0 H ALA A 26 -6.914 5.858 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.960 6.330 2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.682 3.874 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.372 4.335 2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.353 3.741 1.040 1.00 0.00 H new ATOM 353 N THR A 27 -3.629 6.527 1.840 1.00 0.00 N ATOM 354 CA THR A 27 -2.226 6.630 1.460 1.00 0.00 C ATOM 355 C THR A 27 -1.337 5.850 2.421 1.00 0.00 C ATOM 356 O THR A 27 -1.318 6.119 3.623 1.00 0.00 O ATOM 357 CB THR A 27 -1.760 8.098 1.425 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.614 8.863 0.566 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.322 8.198 0.938 1.00 0.00 C ATOM 0 H THR A 27 -3.887 7.082 2.656 1.00 0.00 H new ATOM 0 HA THR A 27 -2.137 6.204 0.461 1.00 0.00 H new ATOM 0 HB THR A 27 -1.813 8.497 2.438 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.312 9.795 0.551 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.015 9.244 0.922 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.329 7.639 1.610 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.249 7.783 -0.067 1.00 0.00 H new ATOM 367 N LEU A 28 -0.601 4.882 1.885 1.00 0.00 N ATOM 368 CA LEU A 28 0.292 4.062 2.696 1.00 0.00 C ATOM 369 C LEU A 28 1.731 4.556 2.591 1.00 0.00 C ATOM 370 O LEU A 28 2.068 5.330 1.695 1.00 0.00 O ATOM 371 CB LEU A 28 0.210 2.598 2.259 1.00 0.00 C ATOM 372 CG LEU A 28 -1.089 1.867 2.603 1.00 0.00 C ATOM 373 CD1 LEU A 28 -2.184 2.229 1.612 1.00 0.00 C ATOM 374 CD2 LEU A 28 -0.863 0.362 2.626 1.00 0.00 C ATOM 0 H LEU A 28 -0.605 4.646 0.893 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.025 4.143 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.354 2.553 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.040 2.057 2.714 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.409 2.182 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.100 1.699 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.364 3.304 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.874 1.944 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.797 -0.142 2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.519 0.031 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.110 0.118 3.376 1.00 0.00 H new ATOM 386 N ARG A 29 2.577 4.101 3.510 1.00 0.00 N ATOM 387 CA ARG A 29 3.980 4.496 3.519 1.00 0.00 C ATOM 388 C ARG A 29 4.847 3.407 4.145 1.00 0.00 C ATOM 389 O ARG A 29 4.386 2.644 4.994 1.00 0.00 O ATOM 390 CB ARG A 29 4.158 5.807 4.287 1.00 0.00 C ATOM 391 CG ARG A 29 4.035 7.045 3.413 1.00 0.00 C ATOM 392 CD ARG A 29 4.423 8.304 4.173 1.00 0.00 C ATOM 393 NE ARG A 29 3.468 8.620 5.232 1.00 0.00 N ATOM 394 CZ ARG A 29 3.773 9.341 6.306 1.00 0.00 C ATOM 395 NH1 ARG A 29 5.001 9.817 6.462 1.00 0.00 N ATOM 396 NH2 ARG A 29 2.849 9.586 7.226 1.00 0.00 N ATOM 0 H ARG A 29 2.315 3.459 4.258 1.00 0.00 H new ATOM 0 HA ARG A 29 4.297 4.641 2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.413 5.857 5.081 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.136 5.807 4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.673 6.937 2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.010 7.137 3.053 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.415 8.175 4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.485 9.142 3.479 1.00 0.00 H new ATOM 0 HE ARG A 29 2.515 8.268 5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.714 9.630 5.757 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.233 10.370 7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.904 9.221 7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.084 10.139 8.050 1.00 0.00 H new ATOM 410 N CYS A 30 6.103 3.341 3.718 1.00 0.00 N ATOM 411 CA CYS A 30 7.035 2.344 4.235 1.00 0.00 C ATOM 412 C CYS A 30 8.441 2.582 3.695 1.00 0.00 C ATOM 413 O CYS A 30 8.640 2.706 2.486 1.00 0.00 O ATOM 414 CB CYS A 30 6.565 0.937 3.866 1.00 0.00 C ATOM 415 SG CYS A 30 6.248 0.704 2.101 1.00 0.00 S ATOM 0 H CYS A 30 6.500 3.965 3.016 1.00 0.00 H new ATOM 0 HA CYS A 30 7.062 2.437 5.321 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.319 0.218 4.187 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.654 0.713 4.421 1.00 0.00 H new ATOM 0 HG CYS A 30 5.857 -0.517 1.888 1.00 0.00 H new ATOM 421 N VAL A 31 9.413 2.648 4.599 1.00 0.00 N ATOM 422 CA VAL A 31 10.801 2.872 4.213 1.00 0.00 C ATOM 423 C VAL A 31 11.610 1.583 4.297 1.00 0.00 C ATOM 424 O VAL A 31 11.425 0.779 5.212 1.00 0.00 O ATOM 425 CB VAL A 31 11.465 3.941 5.102 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.939 4.085 4.754 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.744 5.272 4.963 1.00 0.00 C ATOM 0 H VAL A 31 9.265 2.550 5.603 1.00 0.00 H new ATOM 0 HA VAL A 31 10.790 3.223 3.181 1.00 0.00 H new ATOM 0 HB VAL A 31 11.391 3.621 6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.391 4.844 5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.444 3.132 4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.039 4.382 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.226 6.015 5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.784 5.601 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.704 5.156 5.267 1.00 0.00 H new ATOM 437 N LEU A 32 12.509 1.391 3.338 1.00 0.00 N ATOM 438 CA LEU A 32 13.348 0.198 3.302 1.00 0.00 C ATOM 439 C LEU A 32 14.673 0.444 4.017 1.00 0.00 C ATOM 440 O LEU A 32 15.129 1.582 4.127 1.00 0.00 O ATOM 441 CB LEU A 32 13.607 -0.225 1.855 1.00 0.00 C ATOM 442 CG LEU A 32 12.367 -0.428 0.983 1.00 0.00 C ATOM 443 CD1 LEU A 32 11.511 -1.560 1.529 1.00 0.00 C ATOM 444 CD2 LEU A 32 11.560 0.859 0.896 1.00 0.00 C ATOM 0 H LEU A 32 12.676 2.046 2.575 1.00 0.00 H new ATOM 0 HA LEU A 32 12.820 -0.604 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.238 0.529 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.175 -1.155 1.866 1.00 0.00 H new ATOM 0 HG LEU A 32 12.693 -0.698 -0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.633 -1.690 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.091 -2.483 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.194 -1.320 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.681 0.696 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.244 1.159 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.175 1.645 0.459 1.00 0.00 H new ATOM 456 N SER A 33 15.287 -0.632 4.500 1.00 0.00 N ATOM 457 CA SER A 33 16.559 -0.533 5.206 1.00 0.00 C ATOM 458 C SER A 33 17.520 0.393 4.467 1.00 0.00 C ATOM 459 O SER A 33 18.429 0.968 5.066 1.00 0.00 O ATOM 460 CB SER A 33 17.188 -1.919 5.363 1.00 0.00 C ATOM 461 OG SER A 33 18.440 -1.840 6.022 1.00 0.00 O ATOM 0 H SER A 33 14.924 -1.582 4.415 1.00 0.00 H new ATOM 0 HA SER A 33 16.367 -0.115 6.194 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.516 -2.565 5.929 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.318 -2.376 4.382 1.00 0.00 H new ATOM 0 HG SER A 33 18.820 -2.739 6.111 1.00 0.00 H new ATOM 467 N SER A 34 17.312 0.532 3.162 1.00 0.00 N ATOM 468 CA SER A 34 18.161 1.385 2.339 1.00 0.00 C ATOM 469 C SER A 34 17.438 1.801 1.061 1.00 0.00 C ATOM 470 O SER A 34 16.564 1.088 0.569 1.00 0.00 O ATOM 471 CB SER A 34 19.462 0.660 1.988 1.00 0.00 C ATOM 472 OG SER A 34 20.518 1.581 1.776 1.00 0.00 O ATOM 0 H SER A 34 16.563 0.065 2.652 1.00 0.00 H new ATOM 0 HA SER A 34 18.396 2.282 2.912 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.729 -0.025 2.793 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.316 0.057 1.092 1.00 0.00 H new ATOM 0 HG SER A 34 21.338 1.093 1.555 1.00 0.00 H new ATOM 478 N VAL A 35 17.810 2.961 0.530 1.00 0.00 N ATOM 479 CA VAL A 35 17.199 3.474 -0.691 1.00 0.00 C ATOM 480 C VAL A 35 17.257 2.441 -1.810 1.00 0.00 C ATOM 481 O VAL A 35 18.320 2.179 -2.373 1.00 0.00 O ATOM 482 CB VAL A 35 17.889 4.767 -1.164 1.00 0.00 C ATOM 483 CG1 VAL A 35 17.158 5.355 -2.361 1.00 0.00 C ATOM 484 CG2 VAL A 35 17.967 5.775 -0.028 1.00 0.00 C ATOM 0 H VAL A 35 18.531 3.564 0.926 1.00 0.00 H new ATOM 0 HA VAL A 35 16.157 3.693 -0.456 1.00 0.00 H new ATOM 0 HB VAL A 35 18.905 4.524 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 35 17.660 6.268 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 35 17.160 4.634 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 35 16.130 5.585 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.457 6.683 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.961 6.016 0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.539 5.350 0.797 1.00 0.00 H new ATOM 494 N ALA A 36 16.107 1.856 -2.129 1.00 0.00 N ATOM 495 CA ALA A 36 16.026 0.853 -3.183 1.00 0.00 C ATOM 496 C ALA A 36 14.786 1.062 -4.047 1.00 0.00 C ATOM 497 O ALA A 36 13.699 1.324 -3.535 1.00 0.00 O ATOM 498 CB ALA A 36 16.023 -0.545 -2.583 1.00 0.00 C ATOM 0 H ALA A 36 15.218 2.060 -1.672 1.00 0.00 H new ATOM 0 HA ALA A 36 16.904 0.961 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.962 -1.284 -3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.941 -0.699 -2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.164 -0.655 -1.921 1.00 0.00 H new ATOM 504 N ALA A 37 14.959 0.946 -5.359 1.00 0.00 N ATOM 505 CA ALA A 37 13.854 1.122 -6.294 1.00 0.00 C ATOM 506 C ALA A 37 14.282 0.790 -7.719 1.00 0.00 C ATOM 507 O ALA A 37 15.468 0.657 -8.022 1.00 0.00 O ATOM 508 CB ALA A 37 13.320 2.544 -6.218 1.00 0.00 C ATOM 0 H ALA A 37 15.854 0.731 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 37 13.059 0.432 -6.012 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.496 2.661 -6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.966 2.746 -5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.115 3.245 -6.471 1.00 0.00 H new ATOM 514 N PRO A 38 13.295 0.652 -8.617 1.00 0.00 N ATOM 515 CA PRO A 38 11.880 0.807 -8.269 1.00 0.00 C ATOM 516 C PRO A 38 11.372 -0.330 -7.389 1.00 0.00 C ATOM 517 O PRO A 38 12.100 -1.280 -7.103 1.00 0.00 O ATOM 518 CB PRO A 38 11.176 0.789 -9.628 1.00 0.00 C ATOM 519 CG PRO A 38 12.093 0.025 -10.519 1.00 0.00 C ATOM 520 CD PRO A 38 13.486 0.333 -10.042 1.00 0.00 C ATOM 0 HA PRO A 38 11.699 1.714 -7.693 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.199 0.311 -9.561 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.011 1.799 -10.002 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.889 -1.044 -10.464 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.962 0.321 -11.560 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.154 -0.517 -10.178 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.921 1.171 -10.587 1.00 0.00 H new ATOM 528 N VAL A 39 10.116 -0.228 -6.964 1.00 0.00 N ATOM 529 CA VAL A 39 9.510 -1.249 -6.119 1.00 0.00 C ATOM 530 C VAL A 39 8.329 -1.913 -6.820 1.00 0.00 C ATOM 531 O VAL A 39 7.649 -1.292 -7.637 1.00 0.00 O ATOM 532 CB VAL A 39 9.031 -0.657 -4.780 1.00 0.00 C ATOM 533 CG1 VAL A 39 8.511 -1.756 -3.866 1.00 0.00 C ATOM 534 CG2 VAL A 39 10.154 0.119 -4.109 1.00 0.00 C ATOM 0 H VAL A 39 9.499 0.552 -7.192 1.00 0.00 H new ATOM 0 HA VAL A 39 10.279 -1.996 -5.923 1.00 0.00 H new ATOM 0 HB VAL A 39 8.212 0.034 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.177 -1.319 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.675 -2.264 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.308 -2.474 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.798 0.530 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 39 10.995 -0.548 -3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.475 0.932 -4.761 1.00 0.00 H new ATOM 544 N LYS A 40 8.091 -3.179 -6.495 1.00 0.00 N ATOM 545 CA LYS A 40 6.992 -3.928 -7.091 1.00 0.00 C ATOM 546 C LYS A 40 5.837 -4.078 -6.105 1.00 0.00 C ATOM 547 O LYS A 40 6.051 -4.334 -4.920 1.00 0.00 O ATOM 548 CB LYS A 40 7.474 -5.309 -7.541 1.00 0.00 C ATOM 549 CG LYS A 40 6.367 -6.188 -8.097 1.00 0.00 C ATOM 550 CD LYS A 40 6.898 -7.165 -9.133 1.00 0.00 C ATOM 551 CE LYS A 40 6.958 -6.532 -10.515 1.00 0.00 C ATOM 552 NZ LYS A 40 8.242 -5.811 -10.740 1.00 0.00 N ATOM 0 H LYS A 40 8.645 -3.708 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 40 6.636 -3.373 -7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.245 -5.185 -8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.939 -5.816 -6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.896 -6.739 -7.283 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.596 -5.563 -8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.893 -7.501 -8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.260 -8.048 -9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.838 -7.305 -11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.126 -5.838 -10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.483 -5.838 -11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.143 -4.822 -10.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.998 -6.269 -10.192 1.00 0.00 H new ATOM 566 N TRP A 41 4.617 -3.917 -6.602 1.00 0.00 N ATOM 567 CA TRP A 41 3.429 -4.036 -5.764 1.00 0.00 C ATOM 568 C TRP A 41 2.589 -5.240 -6.177 1.00 0.00 C ATOM 569 O TRP A 41 1.940 -5.226 -7.224 1.00 0.00 O ATOM 570 CB TRP A 41 2.590 -2.760 -5.849 1.00 0.00 C ATOM 571 CG TRP A 41 3.102 -1.653 -4.978 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.157 -0.827 -5.239 1.00 0.00 C ATOM 573 CD2 TRP A 41 2.582 -1.254 -3.706 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.324 0.063 -4.205 1.00 0.00 N ATOM 575 CE2 TRP A 41 3.370 -0.178 -3.252 1.00 0.00 C ATOM 576 CE3 TRP A 41 1.526 -1.699 -2.906 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.135 0.456 -2.035 1.00 0.00 C ATOM 578 CZ3 TRP A 41 1.294 -1.069 -1.698 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.094 0.000 -1.272 1.00 0.00 C ATOM 0 H TRP A 41 4.424 -3.704 -7.581 1.00 0.00 H new ATOM 0 HA TRP A 41 3.755 -4.180 -4.734 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.567 -2.417 -6.883 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.563 -2.990 -5.566 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.770 -0.867 -6.127 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.042 0.786 -4.155 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.902 -2.521 -3.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.752 1.278 -1.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.482 -1.406 -1.071 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.885 0.473 -0.324 1.00 0.00 H new ATOM 590 N CYS A 42 2.606 -6.279 -5.350 1.00 0.00 N ATOM 591 CA CYS A 42 1.846 -7.492 -5.631 1.00 0.00 C ATOM 592 C CYS A 42 0.811 -7.749 -4.541 1.00 0.00 C ATOM 593 O CYS A 42 1.145 -7.825 -3.358 1.00 0.00 O ATOM 594 CB CYS A 42 2.787 -8.692 -5.751 1.00 0.00 C ATOM 595 SG CYS A 42 3.463 -9.261 -4.173 1.00 0.00 S ATOM 0 H CYS A 42 3.137 -6.306 -4.480 1.00 0.00 H new ATOM 0 HA CYS A 42 1.324 -7.353 -6.578 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.250 -9.515 -6.222 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.612 -8.429 -6.413 1.00 0.00 H new ATOM 0 HG CYS A 42 2.717 -8.829 -3.200 1.00 0.00 H new ATOM 601 N TYR A 43 -0.447 -7.882 -4.947 1.00 0.00 N ATOM 602 CA TYR A 43 -1.533 -8.126 -4.005 1.00 0.00 C ATOM 603 C TYR A 43 -2.420 -9.273 -4.481 1.00 0.00 C ATOM 604 O TYR A 43 -3.332 -9.075 -5.282 1.00 0.00 O ATOM 605 CB TYR A 43 -2.371 -6.860 -3.821 1.00 0.00 C ATOM 606 CG TYR A 43 -3.778 -7.131 -3.339 1.00 0.00 C ATOM 607 CD1 TYR A 43 -4.008 -7.777 -2.130 1.00 0.00 C ATOM 608 CD2 TYR A 43 -4.879 -6.739 -4.091 1.00 0.00 C ATOM 609 CE1 TYR A 43 -5.292 -8.027 -1.687 1.00 0.00 C ATOM 610 CE2 TYR A 43 -6.167 -6.983 -3.654 1.00 0.00 C ATOM 611 CZ TYR A 43 -6.368 -7.628 -2.452 1.00 0.00 C ATOM 612 OH TYR A 43 -7.648 -7.874 -2.012 1.00 0.00 O ATOM 0 H TYR A 43 -0.740 -7.825 -5.922 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.093 -8.404 -3.047 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.872 -6.204 -3.108 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.417 -6.324 -4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.168 -8.089 -1.527 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.725 -6.235 -5.034 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.453 -8.532 -0.746 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.011 -6.670 -4.250 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.291 -7.529 -2.666 1.00 0.00 H new ATOM 622 N GLY A 44 -2.144 -10.473 -3.981 1.00 0.00 N ATOM 623 CA GLY A 44 -2.925 -11.634 -4.365 1.00 0.00 C ATOM 624 C GLY A 44 -2.479 -12.221 -5.689 1.00 0.00 C ATOM 625 O GLY A 44 -1.375 -11.946 -6.157 1.00 0.00 O ATOM 0 H GLY A 44 -1.393 -10.662 -3.317 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.845 -12.395 -3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.977 -11.355 -4.431 1.00 0.00 H new ATOM 629 N ASN A 45 -3.339 -13.033 -6.295 1.00 0.00 N ATOM 630 CA ASN A 45 -3.026 -13.662 -7.573 1.00 0.00 C ATOM 631 C ASN A 45 -2.491 -12.637 -8.568 1.00 0.00 C ATOM 632 O ASN A 45 -1.329 -12.694 -8.969 1.00 0.00 O ATOM 633 CB ASN A 45 -4.269 -14.345 -8.147 1.00 0.00 C ATOM 634 CG ASN A 45 -3.940 -15.265 -9.307 1.00 0.00 C ATOM 635 OD1 ASN A 45 -4.237 -14.956 -10.462 1.00 0.00 O ATOM 636 ND2 ASN A 45 -3.324 -16.401 -9.005 1.00 0.00 N ATOM 0 H ASN A 45 -4.258 -13.271 -5.922 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.254 -14.412 -7.400 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.761 -14.918 -7.361 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.977 -13.585 -8.479 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.077 -17.059 -9.744 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.097 -16.616 -8.034 1.00 0.00 H new ATOM 643 N ASN A 46 -3.346 -11.698 -8.960 1.00 0.00 N ATOM 644 CA ASN A 46 -2.960 -10.659 -9.908 1.00 0.00 C ATOM 645 C ASN A 46 -2.000 -9.664 -9.262 1.00 0.00 C ATOM 646 O ASN A 46 -1.789 -9.686 -8.049 1.00 0.00 O ATOM 647 CB ASN A 46 -4.198 -9.927 -10.427 1.00 0.00 C ATOM 648 CG ASN A 46 -4.970 -10.746 -11.444 1.00 0.00 C ATOM 649 OD1 ASN A 46 -4.723 -10.655 -12.647 1.00 0.00 O ATOM 650 ND2 ASN A 46 -5.911 -11.551 -10.964 1.00 0.00 N ATOM 0 H ASN A 46 -4.311 -11.635 -8.636 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.452 -11.137 -10.746 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.851 -9.684 -9.589 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.895 -8.983 -10.879 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.463 -12.126 -11.600 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.081 -11.594 -9.959 1.00 0.00 H new ATOM 657 N VAL A 47 -1.421 -8.792 -10.081 1.00 0.00 N ATOM 658 CA VAL A 47 -0.486 -7.787 -9.591 1.00 0.00 C ATOM 659 C VAL A 47 -1.006 -6.378 -9.851 1.00 0.00 C ATOM 660 O VAL A 47 -1.660 -6.123 -10.864 1.00 0.00 O ATOM 661 CB VAL A 47 0.899 -7.941 -10.248 1.00 0.00 C ATOM 662 CG1 VAL A 47 0.798 -7.760 -11.755 1.00 0.00 C ATOM 663 CG2 VAL A 47 1.886 -6.951 -9.649 1.00 0.00 C ATOM 0 H VAL A 47 -1.583 -8.762 -11.088 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.390 -7.942 -8.516 1.00 0.00 H new ATOM 0 HB VAL A 47 1.265 -8.948 -10.051 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.786 -7.872 -12.202 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.126 -8.512 -12.168 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.410 -6.766 -11.977 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.859 -7.074 -10.125 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.527 -5.935 -9.814 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.980 -7.134 -8.579 1.00 0.00 H new ATOM 673 N LEU A 48 -0.712 -5.465 -8.932 1.00 0.00 N ATOM 674 CA LEU A 48 -1.149 -4.080 -9.062 1.00 0.00 C ATOM 675 C LEU A 48 -0.173 -3.278 -9.917 1.00 0.00 C ATOM 676 O LEU A 48 1.020 -3.578 -9.961 1.00 0.00 O ATOM 677 CB LEU A 48 -1.282 -3.435 -7.681 1.00 0.00 C ATOM 678 CG LEU A 48 -2.138 -4.194 -6.666 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.971 -3.598 -5.276 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.601 -4.178 -7.083 1.00 0.00 C ATOM 0 H LEU A 48 -0.173 -5.659 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.122 -4.077 -9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.283 -3.310 -7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.702 -2.437 -7.807 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.801 -5.230 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.587 -4.151 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.925 -3.663 -4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.281 -2.553 -5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.195 -4.723 -6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.952 -3.148 -7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.706 -4.652 -8.059 1.00 0.00 H new ATOM 692 N ARG A 49 -0.689 -2.258 -10.595 1.00 0.00 N ATOM 693 CA ARG A 49 0.137 -1.413 -11.449 1.00 0.00 C ATOM 694 C ARG A 49 -0.278 0.050 -11.331 1.00 0.00 C ATOM 695 O ARG A 49 -1.447 0.374 -11.117 1.00 0.00 O ATOM 696 CB ARG A 49 0.034 -1.868 -12.906 1.00 0.00 C ATOM 697 CG ARG A 49 0.652 -3.233 -13.163 1.00 0.00 C ATOM 698 CD ARG A 49 0.705 -3.549 -14.650 1.00 0.00 C ATOM 699 NE ARG A 49 1.933 -3.059 -15.270 1.00 0.00 N ATOM 700 CZ ARG A 49 2.069 -2.861 -16.576 1.00 0.00 C ATOM 701 NH1 ARG A 49 1.057 -3.109 -17.396 1.00 0.00 N ATOM 702 NH2 ARG A 49 3.218 -2.413 -17.065 1.00 0.00 N ATOM 0 H ARG A 49 -1.675 -1.997 -10.570 1.00 0.00 H new ATOM 0 HA ARG A 49 1.172 -1.507 -11.119 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.016 -1.894 -13.196 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.523 -1.131 -13.543 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.659 -3.262 -12.748 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.073 -3.999 -12.647 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.631 -4.627 -14.794 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.156 -3.101 -15.147 1.00 0.00 H new ATOM 0 HE ARG A 49 2.730 -2.858 -14.667 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.172 -3.453 -17.024 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.164 -2.956 -18.399 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.999 -2.220 -16.438 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.321 -2.261 -18.068 1.00 0.00 H new ATOM 716 N PRO A 50 0.700 0.957 -11.473 1.00 0.00 N ATOM 717 CA PRO A 50 0.460 2.401 -11.386 1.00 0.00 C ATOM 718 C PRO A 50 -0.336 2.928 -12.575 1.00 0.00 C ATOM 719 O PRO A 50 -0.049 2.594 -13.724 1.00 0.00 O ATOM 720 CB PRO A 50 1.870 2.995 -11.380 1.00 0.00 C ATOM 721 CG PRO A 50 2.712 1.980 -12.073 1.00 0.00 C ATOM 722 CD PRO A 50 2.115 0.643 -11.730 1.00 0.00 C ATOM 0 HA PRO A 50 -0.131 2.664 -10.509 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.898 3.953 -11.899 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.220 3.172 -10.363 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.712 2.143 -13.151 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.749 2.041 -11.742 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.226 -0.069 -12.548 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.594 0.201 -10.856 1.00 0.00 H new ATOM 730 N GLY A 51 -1.336 3.757 -12.291 1.00 0.00 N ATOM 731 CA GLY A 51 -2.158 4.318 -13.348 1.00 0.00 C ATOM 732 C GLY A 51 -3.179 5.308 -12.825 1.00 0.00 C ATOM 733 O GLY A 51 -2.834 6.240 -12.099 1.00 0.00 O ATOM 0 H GLY A 51 -1.592 4.050 -11.348 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.518 4.813 -14.078 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.673 3.512 -13.870 1.00 0.00 H new ATOM 737 N ASP A 52 -4.439 5.108 -13.196 1.00 0.00 N ATOM 738 CA ASP A 52 -5.514 5.992 -12.760 1.00 0.00 C ATOM 739 C ASP A 52 -6.109 5.513 -11.439 1.00 0.00 C ATOM 740 O ASP A 52 -6.261 6.289 -10.496 1.00 0.00 O ATOM 741 CB ASP A 52 -6.606 6.067 -13.828 1.00 0.00 C ATOM 742 CG ASP A 52 -7.362 4.762 -13.976 1.00 0.00 C ATOM 743 OD1 ASP A 52 -6.771 3.789 -14.488 1.00 0.00 O ATOM 744 OD2 ASP A 52 -8.546 4.714 -13.581 1.00 0.00 O ATOM 0 H ASP A 52 -4.741 4.342 -13.798 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.095 6.987 -12.610 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.306 6.862 -13.572 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.157 6.334 -14.785 1.00 0.00 H new ATOM 749 N LYS A 53 -6.445 4.229 -11.379 1.00 0.00 N ATOM 750 CA LYS A 53 -7.024 3.644 -10.175 1.00 0.00 C ATOM 751 C LYS A 53 -6.049 3.732 -9.005 1.00 0.00 C ATOM 752 O LYS A 53 -6.353 4.335 -7.975 1.00 0.00 O ATOM 753 CB LYS A 53 -7.406 2.184 -10.425 1.00 0.00 C ATOM 754 CG LYS A 53 -7.993 1.492 -9.207 1.00 0.00 C ATOM 755 CD LYS A 53 -9.502 1.658 -9.145 1.00 0.00 C ATOM 756 CE LYS A 53 -10.123 0.729 -8.113 1.00 0.00 C ATOM 757 NZ LYS A 53 -10.030 -0.699 -8.525 1.00 0.00 N ATOM 0 H LYS A 53 -6.326 3.573 -12.151 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.921 4.209 -9.922 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.128 2.141 -11.240 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.522 1.637 -10.753 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.744 0.431 -9.235 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.543 1.902 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.746 2.692 -8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.932 1.454 -10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.622 0.864 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.169 0.997 -7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.697 -1.266 -7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.265 -0.785 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.062 -1.044 -8.364 1.00 0.00 H new ATOM 771 N TYR A 54 -4.877 3.129 -9.171 1.00 0.00 N ATOM 772 CA TYR A 54 -3.858 3.139 -8.128 1.00 0.00 C ATOM 773 C TYR A 54 -2.712 4.077 -8.494 1.00 0.00 C ATOM 774 O TYR A 54 -2.544 4.445 -9.657 1.00 0.00 O ATOM 775 CB TYR A 54 -3.321 1.726 -7.897 1.00 0.00 C ATOM 776 CG TYR A 54 -4.330 0.788 -7.274 1.00 0.00 C ATOM 777 CD1 TYR A 54 -4.921 1.086 -6.052 1.00 0.00 C ATOM 778 CD2 TYR A 54 -4.692 -0.395 -7.906 1.00 0.00 C ATOM 779 CE1 TYR A 54 -5.844 0.232 -5.478 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.615 -1.254 -7.340 1.00 0.00 C ATOM 781 CZ TYR A 54 -6.188 -0.936 -6.126 1.00 0.00 C ATOM 782 OH TYR A 54 -7.106 -1.789 -5.559 1.00 0.00 O ATOM 0 H TYR A 54 -4.609 2.627 -10.018 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.319 3.500 -7.209 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.992 1.311 -8.850 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.443 1.781 -7.253 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.655 2.000 -5.542 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.245 -0.648 -8.856 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.293 0.478 -4.527 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.886 -2.169 -7.845 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.237 -2.564 -6.144 1.00 0.00 H new ATOM 792 N SER A 55 -1.926 4.460 -7.493 1.00 0.00 N ATOM 793 CA SER A 55 -0.797 5.358 -7.708 1.00 0.00 C ATOM 794 C SER A 55 0.430 4.882 -6.937 1.00 0.00 C ATOM 795 O SER A 55 0.461 4.928 -5.706 1.00 0.00 O ATOM 796 CB SER A 55 -1.162 6.781 -7.280 1.00 0.00 C ATOM 797 OG SER A 55 -1.722 7.510 -8.359 1.00 0.00 O ATOM 0 H SER A 55 -2.050 4.163 -6.525 1.00 0.00 H new ATOM 0 HA SER A 55 -0.560 5.355 -8.772 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.872 6.745 -6.454 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.273 7.293 -6.913 1.00 0.00 H new ATOM 0 HG SER A 55 -1.948 8.415 -8.060 1.00 0.00 H new ATOM 803 N LEU A 56 1.439 4.423 -7.668 1.00 0.00 N ATOM 804 CA LEU A 56 2.670 3.938 -7.055 1.00 0.00 C ATOM 805 C LEU A 56 3.848 4.839 -7.410 1.00 0.00 C ATOM 806 O LEU A 56 4.244 4.931 -8.572 1.00 0.00 O ATOM 807 CB LEU A 56 2.957 2.504 -7.505 1.00 0.00 C ATOM 808 CG LEU A 56 1.754 1.560 -7.546 1.00 0.00 C ATOM 809 CD1 LEU A 56 2.078 0.318 -8.361 1.00 0.00 C ATOM 810 CD2 LEU A 56 1.328 1.179 -6.136 1.00 0.00 C ATOM 0 H LEU A 56 1.429 4.376 -8.687 1.00 0.00 H new ATOM 0 HA LEU A 56 2.538 3.954 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.400 2.539 -8.500 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.705 2.078 -6.837 1.00 0.00 H new ATOM 0 HG LEU A 56 0.925 2.079 -8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.211 -0.342 -8.379 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.335 0.608 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.922 -0.204 -7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.471 0.507 -6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.153 0.679 -5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.054 2.078 -5.583 1.00 0.00 H new ATOM 822 N ARG A 57 4.406 5.501 -6.402 1.00 0.00 N ATOM 823 CA ARG A 57 5.539 6.395 -6.608 1.00 0.00 C ATOM 824 C ARG A 57 6.565 6.239 -5.488 1.00 0.00 C ATOM 825 O ARG A 57 6.236 6.376 -4.310 1.00 0.00 O ATOM 826 CB ARG A 57 5.064 7.847 -6.680 1.00 0.00 C ATOM 827 CG ARG A 57 4.489 8.366 -5.372 1.00 0.00 C ATOM 828 CD ARG A 57 3.850 9.734 -5.549 1.00 0.00 C ATOM 829 NE ARG A 57 2.761 9.709 -6.522 1.00 0.00 N ATOM 830 CZ ARG A 57 2.940 9.858 -7.829 1.00 0.00 C ATOM 831 NH1 ARG A 57 4.158 10.043 -8.318 1.00 0.00 N ATOM 832 NH2 ARG A 57 1.898 9.823 -8.651 1.00 0.00 N ATOM 0 H ARG A 57 4.092 5.435 -5.434 1.00 0.00 H new ATOM 0 HA ARG A 57 6.013 6.128 -7.552 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.901 8.480 -6.975 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.307 7.935 -7.460 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.747 7.662 -4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.280 8.426 -4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.470 10.083 -4.589 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.607 10.449 -5.871 1.00 0.00 H new ATOM 0 HE ARG A 57 1.811 9.569 -6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.961 10.071 -7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.292 10.157 -9.323 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.959 9.682 -8.278 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.036 9.938 -9.655 1.00 0.00 H new ATOM 846 N GLN A 58 7.806 5.951 -5.866 1.00 0.00 N ATOM 847 CA GLN A 58 8.878 5.775 -4.894 1.00 0.00 C ATOM 848 C GLN A 58 9.710 7.047 -4.765 1.00 0.00 C ATOM 849 O GLN A 58 9.930 7.758 -5.745 1.00 0.00 O ATOM 850 CB GLN A 58 9.776 4.604 -5.299 1.00 0.00 C ATOM 851 CG GLN A 58 10.701 4.134 -4.188 1.00 0.00 C ATOM 852 CD GLN A 58 12.020 4.881 -4.172 1.00 0.00 C ATOM 853 OE1 GLN A 58 12.201 5.861 -4.896 1.00 0.00 O ATOM 854 NE2 GLN A 58 12.952 4.420 -3.346 1.00 0.00 N ATOM 0 H GLN A 58 8.094 5.835 -6.838 1.00 0.00 H new ATOM 0 HA GLN A 58 8.425 5.559 -3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.150 3.770 -5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.376 4.898 -6.160 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.203 4.263 -3.227 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.893 3.068 -4.307 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.759 3.605 -2.764 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.860 4.881 -3.294 1.00 0.00 H new ATOM 863 N GLU A 59 10.168 7.328 -3.549 1.00 0.00 N ATOM 864 CA GLU A 59 10.974 8.515 -3.292 1.00 0.00 C ATOM 865 C GLU A 59 11.818 8.339 -2.033 1.00 0.00 C ATOM 866 O GLU A 59 11.308 7.962 -0.979 1.00 0.00 O ATOM 867 CB GLU A 59 10.077 9.747 -3.150 1.00 0.00 C ATOM 868 CG GLU A 59 9.294 10.078 -4.409 1.00 0.00 C ATOM 869 CD GLU A 59 8.744 11.491 -4.399 1.00 0.00 C ATOM 870 OE1 GLU A 59 8.604 12.065 -3.298 1.00 0.00 O ATOM 871 OE2 GLU A 59 8.452 12.023 -5.490 1.00 0.00 O ATOM 0 H GLU A 59 9.994 6.750 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 59 11.644 8.658 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.378 9.584 -2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.692 10.605 -2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.939 9.949 -5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.470 9.372 -4.516 1.00 0.00 H new ATOM 878 N GLY A 60 13.113 8.614 -2.152 1.00 0.00 N ATOM 879 CA GLY A 60 14.008 8.480 -1.017 1.00 0.00 C ATOM 880 C GLY A 60 13.625 7.326 -0.111 1.00 0.00 C ATOM 881 O GLY A 60 13.323 7.526 1.065 1.00 0.00 O ATOM 0 H GLY A 60 13.559 8.927 -3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.027 8.333 -1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.003 9.406 -0.443 1.00 0.00 H new ATOM 885 N ALA A 61 13.636 6.116 -0.660 1.00 0.00 N ATOM 886 CA ALA A 61 13.288 4.926 0.107 1.00 0.00 C ATOM 887 C ALA A 61 11.938 5.093 0.796 1.00 0.00 C ATOM 888 O ALA A 61 11.796 4.801 1.983 1.00 0.00 O ATOM 889 CB ALA A 61 14.371 4.623 1.131 1.00 0.00 C ATOM 0 H ALA A 61 13.882 5.934 -1.633 1.00 0.00 H new ATOM 0 HA ALA A 61 13.212 4.087 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.098 3.732 1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.318 4.452 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.474 5.468 1.812 1.00 0.00 H new ATOM 895 N MET A 62 10.949 5.565 0.044 1.00 0.00 N ATOM 896 CA MET A 62 9.610 5.770 0.584 1.00 0.00 C ATOM 897 C MET A 62 8.547 5.454 -0.464 1.00 0.00 C ATOM 898 O MET A 62 8.582 5.981 -1.577 1.00 0.00 O ATOM 899 CB MET A 62 9.448 7.211 1.072 1.00 0.00 C ATOM 900 CG MET A 62 8.162 7.450 1.847 1.00 0.00 C ATOM 901 SD MET A 62 8.255 6.855 3.546 1.00 0.00 S ATOM 902 CE MET A 62 8.448 8.398 4.435 1.00 0.00 C ATOM 0 H MET A 62 11.050 5.813 -0.940 1.00 0.00 H new ATOM 0 HA MET A 62 9.478 5.092 1.427 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.297 7.469 1.705 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.475 7.882 0.213 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.938 8.517 1.851 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.337 6.953 1.337 1.00 0.00 H new ATOM 0 HE1 MET A 62 8.520 8.196 5.504 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.355 8.901 4.099 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.587 9.038 4.244 1.00 0.00 H new ATOM 912 N LEU A 63 7.604 4.591 -0.102 1.00 0.00 N ATOM 913 CA LEU A 63 6.531 4.204 -1.012 1.00 0.00 C ATOM 914 C LEU A 63 5.258 4.990 -0.717 1.00 0.00 C ATOM 915 O LEU A 63 5.104 5.557 0.364 1.00 0.00 O ATOM 916 CB LEU A 63 6.256 2.703 -0.899 1.00 0.00 C ATOM 917 CG LEU A 63 7.294 1.780 -1.537 1.00 0.00 C ATOM 918 CD1 LEU A 63 7.711 2.308 -2.901 1.00 0.00 C ATOM 919 CD2 LEU A 63 8.506 1.631 -0.629 1.00 0.00 C ATOM 0 H LEU A 63 7.560 4.146 0.815 1.00 0.00 H new ATOM 0 HA LEU A 63 6.850 4.433 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.173 2.448 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.287 2.496 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 63 6.843 0.797 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.450 1.638 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.839 2.362 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.143 3.302 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.234 0.970 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.958 2.609 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.195 1.207 0.326 1.00 0.00 H new ATOM 931 N GLU A 64 4.347 5.017 -1.685 1.00 0.00 N ATOM 932 CA GLU A 64 3.086 5.732 -1.528 1.00 0.00 C ATOM 933 C GLU A 64 2.013 5.150 -2.443 1.00 0.00 C ATOM 934 O GLU A 64 2.109 5.241 -3.668 1.00 0.00 O ATOM 935 CB GLU A 64 3.278 7.220 -1.829 1.00 0.00 C ATOM 936 CG GLU A 64 2.328 8.123 -1.061 1.00 0.00 C ATOM 937 CD GLU A 64 2.783 9.570 -1.046 1.00 0.00 C ATOM 938 OE1 GLU A 64 3.187 10.075 -2.114 1.00 0.00 O ATOM 939 OE2 GLU A 64 2.734 10.197 0.033 1.00 0.00 O ATOM 0 H GLU A 64 4.459 4.552 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 64 2.758 5.617 -0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.304 7.501 -1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.141 7.387 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.335 8.063 -1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.239 7.763 -0.036 1.00 0.00 H new ATOM 946 N LEU A 65 0.991 4.553 -1.840 1.00 0.00 N ATOM 947 CA LEU A 65 -0.102 3.955 -2.600 1.00 0.00 C ATOM 948 C LEU A 65 -1.422 4.658 -2.300 1.00 0.00 C ATOM 949 O LEU A 65 -1.998 4.486 -1.225 1.00 0.00 O ATOM 950 CB LEU A 65 -0.219 2.465 -2.276 1.00 0.00 C ATOM 951 CG LEU A 65 -1.552 1.804 -2.629 1.00 0.00 C ATOM 952 CD1 LEU A 65 -1.617 1.493 -4.116 1.00 0.00 C ATOM 953 CD2 LEU A 65 -1.753 0.538 -1.808 1.00 0.00 C ATOM 0 H LEU A 65 0.896 4.470 -0.828 1.00 0.00 H new ATOM 0 HA LEU A 65 0.118 4.073 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.576 1.936 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.041 2.331 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.356 2.500 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.573 1.023 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.519 2.417 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.806 0.815 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.707 0.081 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.944 -0.163 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.752 0.788 -0.747 1.00 0.00 H new ATOM 965 N VAL A 66 -1.897 5.448 -3.257 1.00 0.00 N ATOM 966 CA VAL A 66 -3.151 6.174 -3.097 1.00 0.00 C ATOM 967 C VAL A 66 -4.319 5.389 -3.683 1.00 0.00 C ATOM 968 O VAL A 66 -4.320 5.046 -4.865 1.00 0.00 O ATOM 969 CB VAL A 66 -3.088 7.559 -3.769 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.412 8.290 -3.611 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.944 8.379 -3.193 1.00 0.00 C ATOM 0 H VAL A 66 -1.432 5.602 -4.152 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.306 6.305 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.903 7.419 -4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.348 9.266 -4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.207 7.707 -4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.631 8.421 -2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.914 9.354 -3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.095 8.512 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.001 7.859 -3.365 1.00 0.00 H new ATOM 981 N VAL A 67 -5.315 5.109 -2.848 1.00 0.00 N ATOM 982 CA VAL A 67 -6.492 4.366 -3.283 1.00 0.00 C ATOM 983 C VAL A 67 -7.750 5.221 -3.183 1.00 0.00 C ATOM 984 O VAL A 67 -8.271 5.451 -2.092 1.00 0.00 O ATOM 985 CB VAL A 67 -6.687 3.085 -2.449 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.933 2.339 -2.901 1.00 0.00 C ATOM 987 CG2 VAL A 67 -5.457 2.195 -2.546 1.00 0.00 C ATOM 0 H VAL A 67 -5.330 5.386 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.325 4.091 -4.324 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.821 3.368 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.055 1.437 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.806 2.979 -2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.832 2.065 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.611 1.295 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.290 1.918 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.587 2.734 -2.170 1.00 0.00 H new ATOM 997 N ARG A 68 -8.233 5.689 -4.329 1.00 0.00 N ATOM 998 CA ARG A 68 -9.430 6.520 -4.371 1.00 0.00 C ATOM 999 C ARG A 68 -10.690 5.660 -4.325 1.00 0.00 C ATOM 1000 O ARG A 68 -10.642 4.456 -4.575 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.434 7.382 -5.634 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.298 8.391 -5.687 1.00 0.00 C ATOM 1003 CD ARG A 68 -8.695 9.711 -5.044 1.00 0.00 C ATOM 1004 NE ARG A 68 -7.532 10.533 -4.721 1.00 0.00 N ATOM 1005 CZ ARG A 68 -7.614 11.796 -4.317 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -8.799 12.378 -4.186 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -6.511 12.479 -4.042 1.00 0.00 N ATOM 0 H ARG A 68 -7.814 5.507 -5.241 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.422 7.170 -3.496 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.373 6.732 -6.507 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.384 7.913 -5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.425 7.985 -5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.010 8.562 -6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.351 10.260 -5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.264 9.515 -4.135 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.606 10.115 -4.810 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.650 11.856 -4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.859 13.348 -3.876 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.598 12.035 -4.141 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.576 13.449 -3.732 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.817 6.287 -4.004 1.00 0.00 N ATOM 1022 CA ASN A 69 -13.090 5.580 -3.924 1.00 0.00 C ATOM 1023 C ASN A 69 -12.988 4.380 -2.987 1.00 0.00 C ATOM 1024 O ASN A 69 -13.316 3.254 -3.363 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.528 5.118 -5.315 1.00 0.00 C ATOM 1026 CG ASN A 69 -15.034 4.981 -5.431 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -15.668 5.648 -6.249 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -15.614 4.113 -4.610 1.00 0.00 N ATOM 0 H ASN A 69 -11.875 7.284 -3.795 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.835 6.268 -3.525 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.172 5.830 -6.060 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.060 4.160 -5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -16.625 3.978 -4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -15.049 3.581 -3.948 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.532 4.630 -1.764 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.387 3.571 -0.771 1.00 0.00 C ATOM 1037 C LEU A 70 -13.739 2.949 -0.437 1.00 0.00 C ATOM 1038 O LEU A 70 -14.782 3.578 -0.610 1.00 0.00 O ATOM 1039 CB LEU A 70 -11.738 4.122 0.500 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.212 4.218 0.487 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -9.719 5.045 1.665 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -9.590 2.829 0.511 1.00 0.00 C ATOM 0 H LEU A 70 -12.257 5.556 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.746 2.797 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.143 5.116 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.035 3.492 1.338 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.906 4.716 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.631 5.102 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.137 6.050 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.036 4.576 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.504 2.917 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.904 2.305 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.917 2.269 -0.365 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.712 1.710 0.044 1.00 0.00 N ATOM 1055 CA ARG A 71 -14.935 1.004 0.404 1.00 0.00 C ATOM 1056 C ARG A 71 -14.654 -0.071 1.450 1.00 0.00 C ATOM 1057 O ARG A 71 -13.560 -0.631 1.523 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.567 0.370 -0.837 1.00 0.00 C ATOM 1059 CG ARG A 71 -14.575 -0.381 -1.709 1.00 0.00 C ATOM 1060 CD ARG A 71 -15.135 -0.634 -3.100 1.00 0.00 C ATOM 1061 NE ARG A 71 -14.955 0.517 -3.981 1.00 0.00 N ATOM 1062 CZ ARG A 71 -13.829 0.769 -4.639 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -12.790 -0.045 -4.518 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -13.742 1.837 -5.422 1.00 0.00 N ATOM 0 H ARG A 71 -12.856 1.175 0.193 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.631 1.727 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.354 -0.316 -0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.042 1.150 -1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.651 0.192 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -14.323 -1.331 -1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.644 -1.504 -3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.196 -0.871 -3.026 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.736 1.162 -4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.854 -0.868 -3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.927 0.151 -5.025 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -14.540 2.465 -5.519 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.877 2.030 -5.927 1.00 0.00 H new ATOM 1078 N PRO A 72 -15.665 -0.368 2.280 1.00 0.00 N ATOM 1079 CA PRO A 72 -15.552 -1.377 3.337 1.00 0.00 C ATOM 1080 C PRO A 72 -15.466 -2.793 2.779 1.00 0.00 C ATOM 1081 O PRO A 72 -15.014 -3.712 3.462 1.00 0.00 O ATOM 1082 CB PRO A 72 -16.842 -1.196 4.141 1.00 0.00 C ATOM 1083 CG PRO A 72 -17.810 -0.605 3.175 1.00 0.00 C ATOM 1084 CD PRO A 72 -16.997 0.260 2.251 1.00 0.00 C ATOM 0 HA PRO A 72 -14.645 -1.249 3.927 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.203 -2.148 4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -16.686 -0.540 4.997 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.333 -1.384 2.621 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.569 -0.018 3.693 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.413 0.274 1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.962 1.294 2.595 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.901 -2.962 1.535 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.873 -4.267 0.886 1.00 0.00 C ATOM 1094 C GLN A 73 -14.497 -4.551 0.293 1.00 0.00 C ATOM 1095 O GLN A 73 -14.263 -5.616 -0.278 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.938 -4.339 -0.209 1.00 0.00 C ATOM 1097 CG GLN A 73 -16.716 -3.347 -1.339 1.00 0.00 C ATOM 1098 CD GLN A 73 -17.668 -3.562 -2.500 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -18.826 -3.146 -2.453 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -17.183 -4.215 -3.550 1.00 0.00 N ATOM 0 H GLN A 73 -16.277 -2.211 0.956 1.00 0.00 H new ATOM 0 HA GLN A 73 -16.086 -5.024 1.641 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.956 -5.348 -0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -17.917 -4.158 0.235 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -16.838 -2.334 -0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.689 -3.432 -1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.217 -4.542 -3.546 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -17.777 -4.390 -4.361 1.00 0.00 H new ATOM 1109 N ASP A 74 -13.589 -3.591 0.432 1.00 0.00 N ATOM 1110 CA ASP A 74 -12.235 -3.737 -0.090 1.00 0.00 C ATOM 1111 C ASP A 74 -11.267 -4.143 1.017 1.00 0.00 C ATOM 1112 O ASP A 74 -10.213 -4.721 0.753 1.00 0.00 O ATOM 1113 CB ASP A 74 -11.771 -2.432 -0.737 1.00 0.00 C ATOM 1114 CG ASP A 74 -10.283 -2.426 -1.027 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -9.815 -3.334 -1.745 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -9.586 -1.514 -0.535 1.00 0.00 O ATOM 0 H ASP A 74 -13.766 -2.703 0.902 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.246 -4.523 -0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.320 -2.275 -1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.013 -1.598 -0.079 1.00 0.00 H new ATOM 1121 N SER A 75 -11.632 -3.835 2.258 1.00 0.00 N ATOM 1122 CA SER A 75 -10.794 -4.162 3.405 1.00 0.00 C ATOM 1123 C SER A 75 -10.197 -5.559 3.260 1.00 0.00 C ATOM 1124 O SER A 75 -10.880 -6.562 3.459 1.00 0.00 O ATOM 1125 CB SER A 75 -11.606 -4.075 4.699 1.00 0.00 C ATOM 1126 OG SER A 75 -11.751 -2.729 5.119 1.00 0.00 O ATOM 0 H SER A 75 -12.503 -3.359 2.494 1.00 0.00 H new ATOM 0 HA SER A 75 -9.979 -3.439 3.446 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.589 -4.520 4.546 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.113 -4.653 5.481 1.00 0.00 H new ATOM 0 HG SER A 75 -10.894 -2.399 5.461 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.915 -5.614 2.911 1.00 0.00 N ATOM 1133 CA GLY A 76 -8.246 -6.891 2.745 1.00 0.00 C ATOM 1134 C GLY A 76 -6.817 -6.867 3.250 1.00 0.00 C ATOM 1135 O GLY A 76 -6.491 -6.124 4.176 1.00 0.00 O ATOM 0 H GLY A 76 -8.328 -4.797 2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.803 -7.662 3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.251 -7.166 1.690 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.962 -7.683 2.642 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.561 -7.755 3.038 1.00 0.00 C ATOM 1141 C ARG A 77 -3.651 -7.298 1.901 1.00 0.00 C ATOM 1142 O ARG A 77 -3.463 -8.013 0.917 1.00 0.00 O ATOM 1143 CB ARG A 77 -4.198 -9.181 3.454 1.00 0.00 C ATOM 1144 CG ARG A 77 -3.001 -9.258 4.388 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.450 -10.673 4.472 1.00 0.00 C ATOM 1146 NE ARG A 77 -3.422 -11.607 5.034 1.00 0.00 N ATOM 1147 CZ ARG A 77 -3.116 -12.839 5.426 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -1.872 -13.283 5.317 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -4.057 -13.629 5.928 1.00 0.00 N ATOM 0 H ARG A 77 -6.215 -8.304 1.873 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.415 -7.088 3.888 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.059 -9.638 3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.989 -9.769 2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.221 -8.583 4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.292 -8.920 5.383 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.159 -11.008 3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.549 -10.675 5.085 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.389 -11.296 5.131 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.147 -12.678 4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.640 -14.229 5.619 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.015 -13.290 6.013 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.822 -14.575 6.229 1.00 0.00 H new ATOM 1163 N TYR A 78 -3.089 -6.103 2.044 1.00 0.00 N ATOM 1164 CA TYR A 78 -2.201 -5.549 1.029 1.00 0.00 C ATOM 1165 C TYR A 78 -0.746 -5.897 1.329 1.00 0.00 C ATOM 1166 O TYR A 78 -0.242 -5.619 2.417 1.00 0.00 O ATOM 1167 CB TYR A 78 -2.368 -4.031 0.948 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.637 -3.597 0.249 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -3.835 -3.863 -1.100 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -4.637 -2.922 0.937 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -4.992 -3.468 -1.744 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.798 -2.525 0.303 1.00 0.00 C ATOM 1173 CZ TYR A 78 -5.971 -2.800 -1.038 1.00 0.00 C ATOM 1174 OH TYR A 78 -7.125 -2.405 -1.674 1.00 0.00 O ATOM 0 H TYR A 78 -3.233 -5.499 2.853 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.470 -5.989 0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.360 -3.619 1.957 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.511 -3.607 0.424 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.071 -4.388 -1.655 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.504 -2.704 1.986 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.129 -3.681 -2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.566 -2.002 0.854 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.769 -2.079 -1.011 1.00 0.00 H new ATOM 1184 N SER A 79 -0.077 -6.506 0.355 1.00 0.00 N ATOM 1185 CA SER A 79 1.319 -6.895 0.514 1.00 0.00 C ATOM 1186 C SER A 79 2.188 -6.252 -0.562 1.00 0.00 C ATOM 1187 O SER A 79 1.703 -5.897 -1.637 1.00 0.00 O ATOM 1188 CB SER A 79 1.456 -8.418 0.454 1.00 0.00 C ATOM 1189 OG SER A 79 1.234 -8.898 -0.860 1.00 0.00 O ATOM 0 H SER A 79 -0.479 -6.741 -0.552 1.00 0.00 H new ATOM 0 HA SER A 79 1.659 -6.545 1.488 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.452 -8.710 0.788 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.743 -8.878 1.138 1.00 0.00 H new ATOM 0 HG SER A 79 1.160 -8.140 -1.477 1.00 0.00 H new ATOM 1195 N CYS A 80 3.475 -6.106 -0.265 1.00 0.00 N ATOM 1196 CA CYS A 80 4.413 -5.505 -1.206 1.00 0.00 C ATOM 1197 C CYS A 80 5.661 -6.370 -1.357 1.00 0.00 C ATOM 1198 O CYS A 80 6.298 -6.735 -0.369 1.00 0.00 O ATOM 1199 CB CYS A 80 4.804 -4.101 -0.743 1.00 0.00 C ATOM 1200 SG CYS A 80 6.071 -3.313 -1.764 1.00 0.00 S ATOM 0 H CYS A 80 3.892 -6.396 0.620 1.00 0.00 H new ATOM 0 HA CYS A 80 3.921 -5.435 -2.176 1.00 0.00 H new ATOM 0 HB2 CYS A 80 3.914 -3.471 -0.737 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.163 -4.156 0.285 1.00 0.00 H new ATOM 0 HG CYS A 80 6.009 -3.785 -2.974 1.00 0.00 H new ATOM 1206 N SER A 81 6.002 -6.695 -2.600 1.00 0.00 N ATOM 1207 CA SER A 81 7.171 -7.522 -2.879 1.00 0.00 C ATOM 1208 C SER A 81 8.432 -6.668 -2.967 1.00 0.00 C ATOM 1209 O SER A 81 8.514 -5.742 -3.774 1.00 0.00 O ATOM 1210 CB SER A 81 6.974 -8.295 -4.185 1.00 0.00 C ATOM 1211 OG SER A 81 8.190 -8.876 -4.622 1.00 0.00 O ATOM 0 H SER A 81 5.487 -6.399 -3.429 1.00 0.00 H new ATOM 0 HA SER A 81 7.289 -8.230 -2.059 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.226 -9.075 -4.040 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.591 -7.624 -4.954 1.00 0.00 H new ATOM 0 HG SER A 81 8.037 -9.365 -5.457 1.00 0.00 H new ATOM 1217 N PHE A 82 9.414 -6.987 -2.129 1.00 0.00 N ATOM 1218 CA PHE A 82 10.671 -6.249 -2.110 1.00 0.00 C ATOM 1219 C PHE A 82 11.862 -7.203 -2.147 1.00 0.00 C ATOM 1220 O PHE A 82 12.340 -7.657 -1.108 1.00 0.00 O ATOM 1221 CB PHE A 82 10.750 -5.365 -0.864 1.00 0.00 C ATOM 1222 CG PHE A 82 11.971 -4.492 -0.823 1.00 0.00 C ATOM 1223 CD1 PHE A 82 12.070 -3.379 -1.642 1.00 0.00 C ATOM 1224 CD2 PHE A 82 13.020 -4.785 0.033 1.00 0.00 C ATOM 1225 CE1 PHE A 82 13.193 -2.573 -1.607 1.00 0.00 C ATOM 1226 CE2 PHE A 82 14.145 -3.983 0.072 1.00 0.00 C ATOM 1227 CZ PHE A 82 14.232 -2.876 -0.750 1.00 0.00 C ATOM 0 H PHE A 82 9.363 -7.751 -1.455 1.00 0.00 H new ATOM 0 HA PHE A 82 10.706 -5.617 -2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.862 -4.735 -0.819 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.737 -5.999 0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 82 11.261 -3.138 -2.315 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.958 -5.650 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.257 -1.707 -2.249 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.956 -4.222 0.745 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.111 -2.249 -0.722 1.00 0.00 H new ATOM 1237 N GLY A 83 12.336 -7.503 -3.352 1.00 0.00 N ATOM 1238 CA GLY A 83 13.465 -8.401 -3.503 1.00 0.00 C ATOM 1239 C GLY A 83 13.151 -9.810 -3.041 1.00 0.00 C ATOM 1240 O GLY A 83 12.626 -10.619 -3.806 1.00 0.00 O ATOM 0 H GLY A 83 11.958 -7.140 -4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.769 -8.424 -4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.311 -8.015 -2.934 1.00 0.00 H new ATOM 1244 N ASP A 84 13.474 -10.106 -1.787 1.00 0.00 N ATOM 1245 CA ASP A 84 13.224 -11.427 -1.223 1.00 0.00 C ATOM 1246 C ASP A 84 12.177 -11.357 -0.116 1.00 0.00 C ATOM 1247 O ASP A 84 11.349 -12.256 0.026 1.00 0.00 O ATOM 1248 CB ASP A 84 14.521 -12.027 -0.679 1.00 0.00 C ATOM 1249 CG ASP A 84 15.293 -12.793 -1.735 1.00 0.00 C ATOM 1250 OD1 ASP A 84 16.036 -12.153 -2.508 1.00 0.00 O ATOM 1251 OD2 ASP A 84 15.154 -14.033 -1.789 1.00 0.00 O ATOM 0 H ASP A 84 13.910 -9.448 -1.141 1.00 0.00 H new ATOM 0 HA ASP A 84 12.843 -12.068 -2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.148 -11.229 -0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.289 -12.693 0.152 1.00 0.00 H new ATOM 1256 N GLN A 85 12.222 -10.283 0.667 1.00 0.00 N ATOM 1257 CA GLN A 85 11.279 -10.097 1.763 1.00 0.00 C ATOM 1258 C GLN A 85 9.982 -9.468 1.264 1.00 0.00 C ATOM 1259 O GLN A 85 9.977 -8.725 0.282 1.00 0.00 O ATOM 1260 CB GLN A 85 11.898 -9.221 2.853 1.00 0.00 C ATOM 1261 CG GLN A 85 13.154 -9.814 3.470 1.00 0.00 C ATOM 1262 CD GLN A 85 12.849 -10.791 4.589 1.00 0.00 C ATOM 1263 OE1 GLN A 85 11.688 -11.020 4.930 1.00 0.00 O ATOM 1264 NE2 GLN A 85 13.893 -11.373 5.168 1.00 0.00 N ATOM 0 H GLN A 85 12.901 -9.529 0.562 1.00 0.00 H new ATOM 0 HA GLN A 85 11.049 -11.077 2.181 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.137 -8.245 2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.160 -9.057 3.638 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.729 -10.322 2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.780 -9.009 3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.838 -11.154 4.854 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.749 -12.039 5.927 1.00 0.00 H new ATOM 1273 N THR A 86 8.882 -9.771 1.946 1.00 0.00 N ATOM 1274 CA THR A 86 7.579 -9.237 1.572 1.00 0.00 C ATOM 1275 C THR A 86 6.784 -8.813 2.802 1.00 0.00 C ATOM 1276 O THR A 86 6.672 -9.564 3.771 1.00 0.00 O ATOM 1277 CB THR A 86 6.758 -10.267 0.774 1.00 0.00 C ATOM 1278 OG1 THR A 86 7.476 -10.662 -0.400 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.406 -9.692 0.379 1.00 0.00 C ATOM 0 H THR A 86 8.868 -10.384 2.761 1.00 0.00 H new ATOM 0 HA THR A 86 7.763 -8.365 0.944 1.00 0.00 H new ATOM 0 HB THR A 86 6.593 -11.138 1.408 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.948 -11.318 -0.901 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.844 -10.437 -0.184 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.850 -9.420 1.276 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.554 -8.806 -0.239 1.00 0.00 H new ATOM 1287 N THR A 87 6.232 -7.604 2.757 1.00 0.00 N ATOM 1288 CA THR A 87 5.448 -7.080 3.868 1.00 0.00 C ATOM 1289 C THR A 87 3.955 -7.158 3.571 1.00 0.00 C ATOM 1290 O THR A 87 3.545 -7.223 2.413 1.00 0.00 O ATOM 1291 CB THR A 87 5.822 -5.619 4.180 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.161 -5.189 5.375 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.441 -4.704 3.026 1.00 0.00 C ATOM 0 H THR A 87 6.314 -6.970 1.962 1.00 0.00 H new ATOM 0 HA THR A 87 5.676 -7.699 4.736 1.00 0.00 H new ATOM 0 HB THR A 87 6.901 -5.566 4.323 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.688 -4.348 5.203 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.715 -3.678 3.270 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.969 -5.016 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.366 -4.762 2.855 1.00 0.00 H new ATOM 1301 N SER A 88 3.146 -7.150 4.626 1.00 0.00 N ATOM 1302 CA SER A 88 1.697 -7.223 4.478 1.00 0.00 C ATOM 1303 C SER A 88 0.997 -6.496 5.623 1.00 0.00 C ATOM 1304 O SER A 88 1.287 -6.735 6.794 1.00 0.00 O ATOM 1305 CB SER A 88 1.240 -8.683 4.432 1.00 0.00 C ATOM 1306 OG SER A 88 1.556 -9.355 5.639 1.00 0.00 O ATOM 0 H SER A 88 3.469 -7.094 5.592 1.00 0.00 H new ATOM 0 HA SER A 88 1.427 -6.735 3.541 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.165 -8.725 4.259 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.718 -9.191 3.594 1.00 0.00 H new ATOM 0 HG SER A 88 1.629 -8.703 6.367 1.00 0.00 H new ATOM 1312 N ALA A 89 0.073 -5.607 5.273 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.670 -4.846 6.270 1.00 0.00 C ATOM 1314 C ALA A 89 -2.171 -4.915 6.007 1.00 0.00 C ATOM 1315 O ALA A 89 -2.606 -5.354 4.941 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.202 -3.399 6.286 1.00 0.00 C ATOM 0 H ALA A 89 -0.179 -5.396 4.307 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.478 -5.290 7.247 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.765 -2.843 7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.860 -3.363 6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.365 -2.953 5.305 1.00 0.00 H new ATOM 1322 N THR A 90 -2.959 -4.480 6.984 1.00 0.00 N ATOM 1323 CA THR A 90 -4.411 -4.494 6.859 1.00 0.00 C ATOM 1324 C THR A 90 -4.983 -3.083 6.931 1.00 0.00 C ATOM 1325 O THR A 90 -4.645 -2.310 7.828 1.00 0.00 O ATOM 1326 CB THR A 90 -5.062 -5.356 7.957 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.485 -6.667 7.957 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.565 -5.458 7.747 1.00 0.00 C ATOM 0 H THR A 90 -2.616 -4.113 7.872 1.00 0.00 H new ATOM 0 HA THR A 90 -4.639 -4.927 5.885 1.00 0.00 H new ATOM 0 HB THR A 90 -4.878 -4.878 8.919 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.903 -7.208 8.659 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.002 -6.072 8.535 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.005 -4.461 7.777 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.767 -5.914 6.778 1.00 0.00 H new ATOM 1336 N LEU A 91 -5.852 -2.753 5.982 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.473 -1.433 5.938 1.00 0.00 C ATOM 1338 C LEU A 91 -7.894 -1.481 6.490 1.00 0.00 C ATOM 1339 O LEU A 91 -8.707 -2.305 6.071 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.488 -0.902 4.504 1.00 0.00 C ATOM 1341 CG LEU A 91 -6.946 0.546 4.329 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -5.836 1.508 4.722 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.387 0.797 2.894 1.00 0.00 C ATOM 0 H LEU A 91 -6.143 -3.381 5.233 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.884 -0.761 6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.483 -0.996 4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.138 -1.542 3.908 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.799 0.718 4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.180 2.534 4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.567 1.346 5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.964 1.335 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.710 1.833 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.553 0.606 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.214 0.132 2.646 1.00 0.00 H new ATOM 1355 N THR A 92 -8.188 -0.591 7.432 1.00 0.00 N ATOM 1356 CA THR A 92 -9.511 -0.530 8.041 1.00 0.00 C ATOM 1357 C THR A 92 -10.357 0.570 7.410 1.00 0.00 C ATOM 1358 O THR A 92 -9.931 1.722 7.324 1.00 0.00 O ATOM 1359 CB THR A 92 -9.421 -0.286 9.559 1.00 0.00 C ATOM 1360 OG1 THR A 92 -8.710 -1.359 10.186 1.00 0.00 O ATOM 1361 CG2 THR A 92 -10.808 -0.164 10.171 1.00 0.00 C ATOM 0 H THR A 92 -7.527 0.098 7.790 1.00 0.00 H new ATOM 0 HA THR A 92 -9.985 -1.496 7.864 1.00 0.00 H new ATOM 0 HB THR A 92 -8.886 0.649 9.723 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.656 -1.196 11.151 1.00 0.00 H new ATOM 0 HG21 THR A 92 -10.719 0.008 11.244 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.336 0.672 9.712 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.365 -1.085 9.996 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.558 0.208 6.970 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.465 1.166 6.349 1.00 0.00 C ATOM 1371 C VAL A 93 -13.829 1.153 7.030 1.00 0.00 C ATOM 1372 O VAL A 93 -14.446 0.100 7.191 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.650 0.871 4.848 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.619 1.864 4.224 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.309 0.899 4.131 1.00 0.00 C ATOM 0 H VAL A 93 -11.925 -0.742 7.032 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.014 2.151 6.466 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.073 -0.128 4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.737 1.640 3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.586 1.789 4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.229 2.875 4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.458 0.689 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.856 1.884 4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.650 0.145 4.561 1.00 0.00 H new ATOM 1385 N THR A 94 -14.296 2.332 7.429 1.00 0.00 N ATOM 1386 CA THR A 94 -15.586 2.458 8.094 1.00 0.00 C ATOM 1387 C THR A 94 -16.661 2.935 7.124 1.00 0.00 C ATOM 1388 O THR A 94 -16.474 3.921 6.412 1.00 0.00 O ATOM 1389 CB THR A 94 -15.513 3.435 9.283 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.439 3.066 10.155 1.00 0.00 O ATOM 1391 CG2 THR A 94 -16.822 3.443 10.058 1.00 0.00 C ATOM 0 H THR A 94 -13.799 3.214 7.303 1.00 0.00 H new ATOM 0 HA THR A 94 -15.848 1.467 8.464 1.00 0.00 H new ATOM 0 HB THR A 94 -15.335 4.436 8.891 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.398 3.693 10.907 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.746 4.140 10.893 1.00 0.00 H new ATOM 0 HG22 THR A 94 -17.633 3.753 9.399 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.026 2.442 10.439 1.00 0.00 H new ATOM 1399 N ALA A 95 -17.787 2.229 7.101 1.00 0.00 N ATOM 1400 CA ALA A 95 -18.892 2.583 6.220 1.00 0.00 C ATOM 1401 C ALA A 95 -19.637 3.809 6.738 1.00 0.00 C ATOM 1402 O ALA A 95 -20.070 3.844 7.891 1.00 0.00 O ATOM 1403 CB ALA A 95 -19.846 1.408 6.071 1.00 0.00 C ATOM 0 H ALA A 95 -17.957 1.409 7.683 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.479 2.828 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -20.667 1.687 5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.312 0.557 5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.244 1.136 7.049 1.00 0.00 H new ATOM 1409 N LEU A 96 -19.783 4.813 5.881 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.475 6.042 6.252 1.00 0.00 C ATOM 1411 C LEU A 96 -21.945 5.769 6.554 1.00 0.00 C ATOM 1412 O LEU A 96 -22.574 4.893 5.960 1.00 0.00 O ATOM 1413 CB LEU A 96 -20.356 7.077 5.132 1.00 0.00 C ATOM 1414 CG LEU A 96 -21.476 7.071 4.091 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -22.712 7.772 4.634 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -21.010 7.731 2.802 1.00 0.00 C ATOM 0 H LEU A 96 -19.431 4.800 4.924 1.00 0.00 H new ATOM 0 HA LEU A 96 -20.005 6.436 7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.312 8.068 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.408 6.919 4.618 1.00 0.00 H new ATOM 0 HG LEU A 96 -21.737 6.036 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -23.499 7.758 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -23.059 7.256 5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -22.465 8.804 4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -21.820 7.718 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -20.722 8.762 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -20.154 7.187 2.403 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.508 6.538 7.498 1.00 0.00 N ATOM 1429 CA PRO A 97 -23.912 6.400 7.898 1.00 0.00 C ATOM 1430 C PRO A 97 -24.873 6.862 6.808 1.00 0.00 C ATOM 1431 O PRO A 97 -25.019 8.060 6.563 1.00 0.00 O ATOM 1432 CB PRO A 97 -24.021 7.305 9.127 1.00 0.00 C ATOM 1433 CG PRO A 97 -22.940 8.314 8.952 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.819 7.602 8.247 1.00 0.00 C ATOM 0 HA PRO A 97 -24.181 5.362 8.092 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -25.000 7.780 9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -23.888 6.738 10.049 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.291 9.164 8.367 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.610 8.704 9.915 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -21.272 8.272 7.583 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -21.096 7.193 8.953 1.00 0.00 H new