USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 407 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 49 THR OG1 : rot 105:sc= 0.937 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 1.07 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -6.29! C(o=-6.3!,f=-15!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc=-0.00129 X(o=-0.0013,f=-0.026) USER MOD Single : A 11 ASN : amide:sc= -0.0803 K(o=-0.08,f=-1) USER MOD Single : A 14 TYR OH : rot 80:sc= -0.596 USER MOD Single : A 16 THR OG1 : rot 94:sc= -0.0331! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 28 ASN : amide:sc= -0.0167 K(o=-0.017,f=-1) USER MOD Single : A 32 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.2) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -124:sc= -0.0306 (180deg=-0.095) USER MOD Single : A 40 GLN : amide:sc= -1.55 K(o=-1.5,f=-6.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 171:sc= -0.268 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -2.07 USER MOD Single : A 55 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.0005) USER MOD ----------------------------------------------------------------- ATOM 41 N TYR A 3 9.276 3.986 0.284 1.00 0.00 N ATOM 42 CA TYR A 3 8.562 2.972 -0.478 1.00 0.00 C ATOM 43 C TYR A 3 7.233 3.523 -0.969 1.00 0.00 C ATOM 44 O TYR A 3 6.643 4.395 -0.330 1.00 0.00 O ATOM 45 CB TYR A 3 8.325 1.726 0.372 1.00 0.00 C ATOM 46 CG TYR A 3 9.585 0.977 0.745 1.00 0.00 C ATOM 47 CD1 TYR A 3 10.654 1.622 1.355 1.00 0.00 C ATOM 48 CD2 TYR A 3 9.703 -0.383 0.490 1.00 0.00 C ATOM 49 CE1 TYR A 3 11.803 0.934 1.698 1.00 0.00 C ATOM 50 CE2 TYR A 3 10.848 -1.078 0.829 1.00 0.00 C ATOM 51 CZ TYR A 3 11.895 -0.416 1.433 1.00 0.00 C ATOM 52 OH TYR A 3 13.035 -1.104 1.773 1.00 0.00 O ATOM 0 HA TYR A 3 9.173 2.696 -1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.806 2.017 1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.663 1.051 -0.170 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.586 2.679 1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.885 -0.907 0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.624 1.451 2.171 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.922 -2.135 0.622 1.00 0.00 H new ATOM 0 HH TYR A 3 12.937 -2.045 1.519 1.00 0.00 H new ATOM 62 N LEU A 4 6.760 3.014 -2.101 1.00 0.00 N ATOM 63 CA LEU A 4 5.494 3.470 -2.663 1.00 0.00 C ATOM 64 C LEU A 4 4.531 2.305 -2.801 1.00 0.00 C ATOM 65 O LEU A 4 4.948 1.177 -3.064 1.00 0.00 O ATOM 66 CB LEU A 4 5.709 4.139 -4.029 1.00 0.00 C ATOM 67 CG LEU A 4 7.035 4.894 -4.211 1.00 0.00 C ATOM 68 CD1 LEU A 4 7.382 5.694 -2.964 1.00 0.00 C ATOM 69 CD2 LEU A 4 8.159 3.930 -4.561 1.00 0.00 C ATOM 0 H LEU A 4 7.230 2.290 -2.645 1.00 0.00 H new ATOM 0 HA LEU A 4 5.067 4.207 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.642 3.372 -4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.890 4.837 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 4 6.914 5.594 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.325 6.219 -3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.592 6.418 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.478 5.019 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.089 4.485 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.276 3.201 -3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.918 3.412 -5.490 1.00 0.00 H new ATOM 81 N VAL A 5 3.242 2.569 -2.625 1.00 0.00 N ATOM 82 CA VAL A 5 2.254 1.507 -2.740 1.00 0.00 C ATOM 83 C VAL A 5 1.124 1.873 -3.698 1.00 0.00 C ATOM 84 O VAL A 5 0.737 3.035 -3.808 1.00 0.00 O ATOM 85 CB VAL A 5 1.648 1.107 -1.373 1.00 0.00 C ATOM 86 CG1 VAL A 5 0.565 2.057 -0.924 1.00 0.00 C ATOM 87 CG2 VAL A 5 1.083 -0.282 -1.461 1.00 0.00 C ATOM 0 H VAL A 5 2.863 3.490 -2.406 1.00 0.00 H new ATOM 0 HA VAL A 5 2.798 0.652 -3.142 1.00 0.00 H new ATOM 0 HB VAL A 5 2.451 1.149 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.173 1.732 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.979 3.061 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.240 2.065 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.656 -0.563 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.306 -0.311 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.876 -0.981 -1.724 1.00 0.00 H new ATOM 97 N VAL A 6 0.595 0.860 -4.373 1.00 0.00 N ATOM 98 CA VAL A 6 -0.500 1.036 -5.305 1.00 0.00 C ATOM 99 C VAL A 6 -1.534 -0.076 -5.132 1.00 0.00 C ATOM 100 O VAL A 6 -1.261 -1.247 -5.384 1.00 0.00 O ATOM 101 CB VAL A 6 0.012 1.062 -6.762 1.00 0.00 C ATOM 102 CG1 VAL A 6 1.204 1.996 -6.896 1.00 0.00 C ATOM 103 CG2 VAL A 6 0.391 -0.335 -7.222 1.00 0.00 C ATOM 0 H VAL A 6 0.916 -0.104 -4.286 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.973 1.994 -5.090 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.794 1.432 -7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.549 2.000 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.910 3.005 -6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.009 1.654 -6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.749 -0.295 -8.251 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.178 -0.729 -6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.482 -0.986 -7.167 1.00 0.00 H new ATOM 113 N ASN A 7 -2.722 0.304 -4.696 1.00 0.00 N ATOM 114 CA ASN A 7 -3.799 -0.655 -4.478 1.00 0.00 C ATOM 115 C ASN A 7 -4.570 -0.916 -5.768 1.00 0.00 C ATOM 116 O ASN A 7 -5.007 0.017 -6.440 1.00 0.00 O ATOM 117 CB ASN A 7 -4.742 -0.144 -3.373 1.00 0.00 C ATOM 118 CG ASN A 7 -6.113 -0.809 -3.370 1.00 0.00 C ATOM 119 OD1 ASN A 7 -6.389 -1.716 -4.157 1.00 0.00 O ATOM 120 ND2 ASN A 7 -6.984 -0.355 -2.475 1.00 0.00 N ATOM 0 H ASN A 7 -2.969 1.271 -4.485 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.361 -1.600 -4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.270 -0.305 -2.404 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.872 0.932 -3.490 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.919 -0.759 -2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.718 0.398 -1.840 1.00 0.00 H new ATOM 127 N LYS A 8 -4.742 -2.195 -6.105 1.00 0.00 N ATOM 128 CA LYS A 8 -5.475 -2.565 -7.311 1.00 0.00 C ATOM 129 C LYS A 8 -6.432 -3.726 -7.048 1.00 0.00 C ATOM 130 O LYS A 8 -6.009 -4.842 -6.756 1.00 0.00 O ATOM 131 CB LYS A 8 -4.499 -2.943 -8.430 1.00 0.00 C ATOM 132 CG LYS A 8 -3.307 -2.004 -8.549 1.00 0.00 C ATOM 133 CD LYS A 8 -3.639 -0.787 -9.395 1.00 0.00 C ATOM 134 CE LYS A 8 -2.436 -0.325 -10.202 1.00 0.00 C ATOM 135 NZ LYS A 8 -2.365 1.157 -10.299 1.00 0.00 N ATOM 0 H LYS A 8 -4.387 -2.983 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.063 -1.701 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.136 -3.956 -8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.036 -2.956 -9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.995 -1.683 -7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.465 -2.537 -8.991 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.461 -1.025 -10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.979 0.024 -8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.523 -0.702 -9.740 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.486 -0.752 -11.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.531 1.429 -10.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.224 1.516 -10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.291 1.564 -9.345 1.00 0.00 H new ATOM 149 N GLY A 9 -7.726 -3.459 -7.168 1.00 0.00 N ATOM 150 CA GLY A 9 -8.717 -4.493 -6.944 1.00 0.00 C ATOM 151 C GLY A 9 -9.621 -4.680 -8.155 1.00 0.00 C ATOM 152 O GLY A 9 -9.143 -4.998 -9.243 1.00 0.00 O ATOM 0 H GLY A 9 -8.107 -2.546 -7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.216 -5.434 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.322 -4.235 -6.075 1.00 0.00 H new ATOM 156 N GLN A 10 -10.917 -4.489 -7.957 1.00 0.00 N ATOM 157 CA GLN A 10 -11.880 -4.640 -9.047 1.00 0.00 C ATOM 158 C GLN A 10 -12.603 -3.325 -9.333 1.00 0.00 C ATOM 159 O GLN A 10 -13.005 -3.059 -10.468 1.00 0.00 O ATOM 160 CB GLN A 10 -12.899 -5.730 -8.702 1.00 0.00 C ATOM 161 CG GLN A 10 -12.301 -7.126 -8.635 1.00 0.00 C ATOM 162 CD GLN A 10 -12.958 -8.090 -9.605 1.00 0.00 C ATOM 163 OE1 GLN A 10 -13.046 -7.822 -10.801 1.00 0.00 O ATOM 164 NE2 GLN A 10 -13.415 -9.226 -9.086 1.00 0.00 N ATOM 0 H GLN A 10 -11.328 -4.231 -7.060 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.331 -4.929 -9.943 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.359 -5.495 -7.742 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.694 -5.720 -9.447 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.234 -7.071 -8.850 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.402 -7.512 -7.621 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.319 -9.405 -8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.861 -9.918 -9.688 1.00 0.00 H new ATOM 173 N ASN A 11 -12.768 -2.507 -8.296 1.00 0.00 N ATOM 174 CA ASN A 11 -13.446 -1.227 -8.439 1.00 0.00 C ATOM 175 C ASN A 11 -12.905 -0.207 -7.436 1.00 0.00 C ATOM 176 O ASN A 11 -13.673 0.533 -6.819 1.00 0.00 O ATOM 177 CB ASN A 11 -14.949 -1.412 -8.237 1.00 0.00 C ATOM 178 CG ASN A 11 -15.768 -0.350 -8.946 1.00 0.00 C ATOM 179 OD1 ASN A 11 -15.414 0.098 -10.036 1.00 0.00 O ATOM 180 ND2 ASN A 11 -16.871 0.056 -8.328 1.00 0.00 N ATOM 0 H ASN A 11 -12.441 -2.710 -7.351 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.260 -0.849 -9.444 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -15.243 -2.396 -8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -15.174 -1.388 -7.171 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -17.463 0.767 -8.757 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -17.126 -0.343 -7.425 1.00 0.00 H new ATOM 187 N ALA A 12 -11.591 -0.172 -7.280 1.00 0.00 N ATOM 188 CA ALA A 12 -10.958 0.759 -6.348 1.00 0.00 C ATOM 189 C ALA A 12 -9.439 0.731 -6.482 1.00 0.00 C ATOM 190 O ALA A 12 -8.823 -0.332 -6.448 1.00 0.00 O ATOM 191 CB ALA A 12 -11.365 0.435 -4.919 1.00 0.00 C ATOM 0 H ALA A 12 -10.940 -0.774 -7.784 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.300 1.764 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.886 1.137 -4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.448 0.516 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.054 -0.580 -4.673 1.00 0.00 H new ATOM 197 N PHE A 13 -8.844 1.910 -6.636 1.00 0.00 N ATOM 198 CA PHE A 13 -7.398 2.026 -6.776 1.00 0.00 C ATOM 199 C PHE A 13 -6.852 3.123 -5.869 1.00 0.00 C ATOM 200 O PHE A 13 -7.254 4.282 -5.961 1.00 0.00 O ATOM 201 CB PHE A 13 -7.031 2.325 -8.234 1.00 0.00 C ATOM 202 CG PHE A 13 -7.536 1.296 -9.204 1.00 0.00 C ATOM 203 CD1 PHE A 13 -6.857 0.099 -9.378 1.00 0.00 C ATOM 204 CD2 PHE A 13 -8.681 1.522 -9.935 1.00 0.00 C ATOM 205 CE1 PHE A 13 -7.314 -0.852 -10.266 1.00 0.00 C ATOM 206 CE2 PHE A 13 -9.153 0.579 -10.835 1.00 0.00 C ATOM 207 CZ PHE A 13 -8.466 -0.610 -10.998 1.00 0.00 C ATOM 0 H PHE A 13 -9.343 2.799 -6.667 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.950 1.077 -6.481 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.434 3.300 -8.509 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.947 2.392 -8.320 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.958 -0.091 -8.810 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -9.220 2.449 -9.805 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.777 -1.781 -10.391 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -10.050 0.772 -11.404 1.00 0.00 H new ATOM 0 HZ PHE A 13 -8.827 -1.351 -11.696 1.00 0.00 H new ATOM 217 N TYR A 14 -5.926 2.745 -4.989 1.00 0.00 N ATOM 218 CA TYR A 14 -5.322 3.698 -4.065 1.00 0.00 C ATOM 219 C TYR A 14 -3.817 3.472 -3.955 1.00 0.00 C ATOM 220 O TYR A 14 -3.369 2.420 -3.506 1.00 0.00 O ATOM 221 CB TYR A 14 -5.965 3.579 -2.675 1.00 0.00 C ATOM 222 CG TYR A 14 -5.008 3.869 -1.534 1.00 0.00 C ATOM 223 CD1 TYR A 14 -4.571 5.164 -1.282 1.00 0.00 C ATOM 224 CD2 TYR A 14 -4.528 2.847 -0.722 1.00 0.00 C ATOM 225 CE1 TYR A 14 -3.690 5.432 -0.255 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.647 3.113 0.306 1.00 0.00 C ATOM 227 CZ TYR A 14 -3.232 4.405 0.536 1.00 0.00 C ATOM 228 OH TYR A 14 -2.352 4.669 1.562 1.00 0.00 O ATOM 0 H TYR A 14 -5.580 1.790 -4.898 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.497 4.700 -4.456 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.808 4.267 -2.614 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.366 2.572 -2.555 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.927 5.974 -1.901 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.849 1.831 -0.899 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.361 6.445 -0.073 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.284 2.309 0.929 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.845 5.014 2.335 1.00 0.00 H new ATOM 238 N GLU A 15 -3.038 4.476 -4.333 1.00 0.00 N ATOM 239 CA GLU A 15 -1.593 4.384 -4.244 1.00 0.00 C ATOM 240 C GLU A 15 -1.047 5.572 -3.467 1.00 0.00 C ATOM 241 O GLU A 15 -1.233 6.726 -3.854 1.00 0.00 O ATOM 242 CB GLU A 15 -0.960 4.289 -5.641 1.00 0.00 C ATOM 243 CG GLU A 15 0.151 5.293 -5.906 1.00 0.00 C ATOM 244 CD GLU A 15 0.534 5.377 -7.372 1.00 0.00 C ATOM 245 OE1 GLU A 15 -0.152 4.745 -8.204 1.00 0.00 O ATOM 246 OE2 GLU A 15 1.521 6.073 -7.689 1.00 0.00 O ATOM 0 H GLU A 15 -3.385 5.361 -4.703 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.331 3.472 -3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.562 3.283 -5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.741 4.426 -6.389 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.166 6.277 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.029 5.018 -5.321 1.00 0.00 H new ATOM 253 N THR A 16 -0.385 5.279 -2.364 1.00 0.00 N ATOM 254 CA THR A 16 0.183 6.316 -1.525 1.00 0.00 C ATOM 255 C THR A 16 1.568 5.916 -1.028 1.00 0.00 C ATOM 256 O THR A 16 1.742 4.863 -0.418 1.00 0.00 O ATOM 257 CB THR A 16 -0.770 6.629 -0.367 1.00 0.00 C ATOM 258 OG1 THR A 16 -1.776 7.530 -0.789 1.00 0.00 O ATOM 259 CG2 THR A 16 -0.093 7.244 0.833 1.00 0.00 C ATOM 0 H THR A 16 -0.227 4.329 -2.028 1.00 0.00 H new ATOM 0 HA THR A 16 0.307 7.224 -2.116 1.00 0.00 H new ATOM 0 HB THR A 16 -1.183 5.665 -0.070 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.564 7.027 -1.082 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.833 7.436 1.610 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.664 6.559 1.215 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.380 8.182 0.543 1.00 0.00 H new ATOM 267 N LEU A 17 2.539 6.774 -1.304 1.00 0.00 N ATOM 268 CA LEU A 17 3.924 6.545 -0.902 1.00 0.00 C ATOM 269 C LEU A 17 4.235 7.236 0.430 1.00 0.00 C ATOM 270 O LEU A 17 3.938 8.415 0.618 1.00 0.00 O ATOM 271 CB LEU A 17 4.892 7.020 -1.998 1.00 0.00 C ATOM 272 CG LEU A 17 4.498 8.286 -2.772 1.00 0.00 C ATOM 273 CD1 LEU A 17 3.391 7.990 -3.774 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.090 9.400 -1.821 1.00 0.00 C ATOM 0 H LEU A 17 2.393 7.647 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 17 4.060 5.472 -0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.866 7.192 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.017 6.209 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 17 5.372 8.625 -3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.131 8.903 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.735 7.239 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.514 7.616 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.816 10.286 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.237 9.075 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.924 9.639 -1.161 1.00 0.00 H new ATOM 286 N THR A 18 4.820 6.484 1.363 1.00 0.00 N ATOM 287 CA THR A 18 5.155 7.019 2.682 1.00 0.00 C ATOM 288 C THR A 18 6.519 6.521 3.169 1.00 0.00 C ATOM 289 O THR A 18 6.959 5.428 2.807 1.00 0.00 O ATOM 290 CB THR A 18 4.055 6.656 3.692 1.00 0.00 C ATOM 291 OG1 THR A 18 3.683 7.792 4.452 1.00 0.00 O ATOM 292 CG2 THR A 18 4.436 5.561 4.674 1.00 0.00 C ATOM 0 H THR A 18 5.071 5.504 1.230 1.00 0.00 H new ATOM 0 HA THR A 18 5.218 8.104 2.596 1.00 0.00 H new ATOM 0 HB THR A 18 3.234 6.286 3.079 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.981 7.544 5.089 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.601 5.370 5.348 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.676 4.649 4.127 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.304 5.877 5.252 1.00 0.00 H new ATOM 300 N LYS A 19 7.166 7.319 4.018 1.00 0.00 N ATOM 301 CA LYS A 19 8.456 6.940 4.587 1.00 0.00 C ATOM 302 C LYS A 19 8.273 5.685 5.436 1.00 0.00 C ATOM 303 O LYS A 19 7.338 5.606 6.234 1.00 0.00 O ATOM 304 CB LYS A 19 9.019 8.077 5.442 1.00 0.00 C ATOM 305 CG LYS A 19 10.523 7.992 5.662 1.00 0.00 C ATOM 306 CD LYS A 19 11.268 9.012 4.815 1.00 0.00 C ATOM 307 CE LYS A 19 12.772 8.870 4.974 1.00 0.00 C ATOM 308 NZ LYS A 19 13.494 10.070 4.475 1.00 0.00 N ATOM 0 H LYS A 19 6.819 8.228 4.325 1.00 0.00 H new ATOM 0 HA LYS A 19 9.162 6.740 3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.784 9.029 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.519 8.073 6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.748 8.158 6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.872 6.989 5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.998 8.884 3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.963 10.018 5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.013 8.711 6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.114 7.988 4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.518 9.936 4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.284 10.207 3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.187 10.907 5.010 1.00 0.00 H new ATOM 322 N ALA A 20 9.133 4.691 5.243 1.00 0.00 N ATOM 323 CA ALA A 20 9.000 3.438 5.984 1.00 0.00 C ATOM 324 C ALA A 20 10.216 3.099 6.835 1.00 0.00 C ATOM 325 O ALA A 20 10.328 1.982 7.331 1.00 0.00 O ATOM 326 CB ALA A 20 8.727 2.308 5.022 1.00 0.00 C ATOM 0 H ALA A 20 9.917 4.724 4.592 1.00 0.00 H new ATOM 0 HA ALA A 20 8.166 3.573 6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.628 1.374 5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.803 2.507 4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.552 2.225 4.315 1.00 0.00 H new ATOM 332 N VAL A 21 11.112 4.049 7.005 1.00 0.00 N ATOM 333 CA VAL A 21 12.315 3.829 7.807 1.00 0.00 C ATOM 334 C VAL A 21 13.172 2.684 7.253 1.00 0.00 C ATOM 335 O VAL A 21 14.267 2.914 6.739 1.00 0.00 O ATOM 336 CB VAL A 21 11.958 3.518 9.272 1.00 0.00 C ATOM 337 CG1 VAL A 21 13.211 3.481 10.133 1.00 0.00 C ATOM 338 CG2 VAL A 21 10.965 4.539 9.807 1.00 0.00 C ATOM 0 H VAL A 21 11.037 4.983 6.602 1.00 0.00 H new ATOM 0 HA VAL A 21 12.890 4.754 7.758 1.00 0.00 H new ATOM 0 HB VAL A 21 11.491 2.534 9.311 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.937 3.260 11.165 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.884 2.708 9.763 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.711 4.449 10.090 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.724 4.304 10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.403 5.536 9.754 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.055 4.510 9.208 1.00 0.00 H new ATOM 348 N ASP A 22 12.674 1.450 7.364 1.00 0.00 N ATOM 349 CA ASP A 22 13.397 0.281 6.883 1.00 0.00 C ATOM 350 C ASP A 22 12.571 -0.498 5.855 1.00 0.00 C ATOM 351 O ASP A 22 11.646 0.042 5.247 1.00 0.00 O ATOM 352 CB ASP A 22 13.769 -0.622 8.061 1.00 0.00 C ATOM 353 CG ASP A 22 15.171 -1.187 7.938 1.00 0.00 C ATOM 354 OD1 ASP A 22 16.073 -0.444 7.497 1.00 0.00 O ATOM 355 OD2 ASP A 22 15.366 -2.370 8.281 1.00 0.00 O ATOM 0 H ASP A 22 11.769 1.239 7.785 1.00 0.00 H new ATOM 0 HA ASP A 22 14.308 0.621 6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.689 -0.055 8.989 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.054 -1.442 8.126 1.00 0.00 H new ATOM 360 N ALA A 23 12.919 -1.767 5.668 1.00 0.00 N ATOM 361 CA ALA A 23 12.226 -2.630 4.711 1.00 0.00 C ATOM 362 C ALA A 23 11.000 -3.293 5.334 1.00 0.00 C ATOM 363 O ALA A 23 9.866 -2.939 5.014 1.00 0.00 O ATOM 364 CB ALA A 23 13.181 -3.683 4.169 1.00 0.00 C ATOM 0 H ALA A 23 13.681 -2.225 6.168 1.00 0.00 H new ATOM 0 HA ALA A 23 11.878 -2.005 3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.655 -4.320 3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.017 -3.193 3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.557 -4.291 4.992 1.00 0.00 H new ATOM 370 N GLU A 24 11.233 -4.251 6.231 1.00 0.00 N ATOM 371 CA GLU A 24 10.132 -4.949 6.900 1.00 0.00 C ATOM 372 C GLU A 24 9.245 -3.953 7.634 1.00 0.00 C ATOM 373 O GLU A 24 8.076 -4.220 7.910 1.00 0.00 O ATOM 374 CB GLU A 24 10.664 -5.990 7.878 1.00 0.00 C ATOM 375 CG GLU A 24 11.778 -6.851 7.307 1.00 0.00 C ATOM 376 CD GLU A 24 13.046 -6.793 8.140 1.00 0.00 C ATOM 377 OE1 GLU A 24 13.864 -5.878 7.910 1.00 0.00 O ATOM 378 OE2 GLU A 24 13.217 -7.663 9.019 1.00 0.00 O ATOM 0 H GLU A 24 12.164 -4.560 6.510 1.00 0.00 H new ATOM 0 HA GLU A 24 9.542 -5.459 6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.030 -5.483 8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.843 -6.635 8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.437 -7.884 7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.000 -6.525 6.291 1.00 0.00 H new ATOM 385 N THR A 25 9.807 -2.787 7.902 1.00 0.00 N ATOM 386 CA THR A 25 9.087 -1.712 8.547 1.00 0.00 C ATOM 387 C THR A 25 8.122 -1.149 7.530 1.00 0.00 C ATOM 388 O THR A 25 6.983 -0.830 7.841 1.00 0.00 O ATOM 389 CB THR A 25 10.046 -0.630 9.042 1.00 0.00 C ATOM 390 OG1 THR A 25 11.190 -1.211 9.643 1.00 0.00 O ATOM 391 CG2 THR A 25 9.424 0.306 10.054 1.00 0.00 C ATOM 0 H THR A 25 10.776 -2.563 7.677 1.00 0.00 H new ATOM 0 HA THR A 25 8.552 -2.083 9.421 1.00 0.00 H new ATOM 0 HB THR A 25 10.313 -0.055 8.155 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.793 -0.503 9.952 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.160 1.049 10.363 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.567 0.809 9.606 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.097 -0.264 10.924 1.00 0.00 H new ATOM 399 N ALA A 26 8.574 -1.102 6.283 1.00 0.00 N ATOM 400 CA ALA A 26 7.727 -0.660 5.204 1.00 0.00 C ATOM 401 C ALA A 26 6.707 -1.752 4.948 1.00 0.00 C ATOM 402 O ALA A 26 5.624 -1.510 4.421 1.00 0.00 O ATOM 403 CB ALA A 26 8.544 -0.382 3.950 1.00 0.00 C ATOM 0 H ALA A 26 9.519 -1.365 6.004 1.00 0.00 H new ATOM 0 HA ALA A 26 7.229 0.271 5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.882 -0.050 3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.279 0.396 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.058 -1.292 3.641 1.00 0.00 H new ATOM 409 N ARG A 27 7.069 -2.965 5.356 1.00 0.00 N ATOM 410 CA ARG A 27 6.196 -4.112 5.207 1.00 0.00 C ATOM 411 C ARG A 27 5.130 -4.095 6.287 1.00 0.00 C ATOM 412 O ARG A 27 3.964 -4.323 6.006 1.00 0.00 O ATOM 413 CB ARG A 27 7.005 -5.415 5.276 1.00 0.00 C ATOM 414 CG ARG A 27 6.151 -6.674 5.244 1.00 0.00 C ATOM 415 CD ARG A 27 5.740 -7.041 3.826 1.00 0.00 C ATOM 416 NE ARG A 27 5.995 -8.451 3.536 1.00 0.00 N ATOM 417 CZ ARG A 27 5.266 -9.186 2.696 1.00 0.00 C ATOM 418 NH1 ARG A 27 4.236 -8.654 2.051 1.00 0.00 N ATOM 419 NH2 ARG A 27 5.573 -10.461 2.499 1.00 0.00 N ATOM 0 H ARG A 27 7.966 -3.174 5.794 1.00 0.00 H new ATOM 0 HA ARG A 27 5.712 -4.060 4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.705 -5.441 4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.599 -5.414 6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.706 -7.501 5.687 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.260 -6.525 5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.680 -6.827 3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.286 -6.419 3.117 1.00 0.00 H new ATOM 0 HE ARG A 27 6.780 -8.901 4.006 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.995 -7.673 2.195 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.685 -9.226 1.411 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.365 -10.877 2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.017 -11.026 1.857 1.00 0.00 H new ATOM 433 N ASN A 28 5.545 -3.825 7.523 1.00 0.00 N ATOM 434 CA ASN A 28 4.615 -3.792 8.652 1.00 0.00 C ATOM 435 C ASN A 28 4.075 -2.385 8.931 1.00 0.00 C ATOM 436 O ASN A 28 2.873 -2.200 9.108 1.00 0.00 O ATOM 437 CB ASN A 28 5.297 -4.338 9.908 1.00 0.00 C ATOM 438 CG ASN A 28 5.525 -5.837 9.836 1.00 0.00 C ATOM 439 OD1 ASN A 28 6.099 -6.343 8.872 1.00 0.00 O ATOM 440 ND2 ASN A 28 5.074 -6.554 10.860 1.00 0.00 N ATOM 0 H ASN A 28 6.515 -3.627 7.769 1.00 0.00 H new ATOM 0 HA ASN A 28 3.765 -4.420 8.382 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.253 -3.834 10.047 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.685 -4.108 10.780 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.198 -7.566 10.868 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.604 -6.092 11.638 1.00 0.00 H new ATOM 447 N ALA A 29 4.972 -1.408 8.995 1.00 0.00 N ATOM 448 CA ALA A 29 4.595 -0.021 9.282 1.00 0.00 C ATOM 449 C ALA A 29 3.776 0.604 8.163 1.00 0.00 C ATOM 450 O ALA A 29 2.830 1.350 8.417 1.00 0.00 O ATOM 451 CB ALA A 29 5.839 0.817 9.528 1.00 0.00 C ATOM 0 H ALA A 29 5.972 -1.548 8.852 1.00 0.00 H new ATOM 0 HA ALA A 29 3.971 -0.039 10.176 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.548 1.846 9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.388 0.412 10.378 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.474 0.795 8.642 1.00 0.00 H new ATOM 457 N PHE A 30 4.147 0.329 6.927 1.00 0.00 N ATOM 458 CA PHE A 30 3.439 0.897 5.796 1.00 0.00 C ATOM 459 C PHE A 30 2.128 0.166 5.546 1.00 0.00 C ATOM 460 O PHE A 30 1.082 0.793 5.409 1.00 0.00 O ATOM 461 CB PHE A 30 4.316 0.849 4.548 1.00 0.00 C ATOM 462 CG PHE A 30 4.011 1.900 3.518 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.098 2.919 3.757 1.00 0.00 C ATOM 464 CD2 PHE A 30 4.658 1.861 2.302 1.00 0.00 C ATOM 465 CE1 PHE A 30 2.844 3.874 2.793 1.00 0.00 C ATOM 466 CE2 PHE A 30 4.411 2.811 1.335 1.00 0.00 C ATOM 467 CZ PHE A 30 3.504 3.818 1.580 1.00 0.00 C ATOM 0 H PHE A 30 4.928 -0.279 6.682 1.00 0.00 H new ATOM 0 HA PHE A 30 3.207 1.936 6.029 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.358 0.949 4.850 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.211 -0.133 4.086 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.582 2.965 4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.370 1.073 2.104 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.132 4.662 2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.927 2.766 0.387 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.308 4.564 0.824 1.00 0.00 H new ATOM 477 N ILE A 31 2.183 -1.161 5.478 1.00 0.00 N ATOM 478 CA ILE A 31 1.002 -1.955 5.235 1.00 0.00 C ATOM 479 C ILE A 31 -0.151 -1.586 6.163 1.00 0.00 C ATOM 480 O ILE A 31 -1.310 -1.629 5.761 1.00 0.00 O ATOM 481 CB ILE A 31 1.328 -3.440 5.370 1.00 0.00 C ATOM 482 CG1 ILE A 31 0.246 -4.284 4.734 1.00 0.00 C ATOM 483 CG2 ILE A 31 1.544 -3.838 6.811 1.00 0.00 C ATOM 484 CD1 ILE A 31 0.818 -5.397 3.900 1.00 0.00 C ATOM 0 H ILE A 31 3.040 -1.703 5.589 1.00 0.00 H new ATOM 0 HA ILE A 31 0.677 -1.742 4.217 1.00 0.00 H new ATOM 0 HB ILE A 31 2.263 -3.620 4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.391 -4.704 5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.387 -3.653 4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.774 -4.902 6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.374 -3.267 7.226 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.640 -3.633 7.385 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.006 -5.978 3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.433 -4.976 3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.430 -6.045 4.528 1.00 0.00 H new ATOM 496 N GLN A 32 0.165 -1.226 7.401 1.00 0.00 N ATOM 497 CA GLN A 32 -0.872 -0.861 8.362 1.00 0.00 C ATOM 498 C GLN A 32 -1.586 0.405 7.927 1.00 0.00 C ATOM 499 O GLN A 32 -2.814 0.454 7.859 1.00 0.00 O ATOM 500 CB GLN A 32 -0.277 -0.646 9.754 1.00 0.00 C ATOM 501 CG GLN A 32 1.037 0.112 9.775 1.00 0.00 C ATOM 502 CD GLN A 32 1.653 0.170 11.159 1.00 0.00 C ATOM 503 OE1 GLN A 32 1.602 1.199 11.832 1.00 0.00 O ATOM 504 NE2 GLN A 32 2.238 -0.941 11.589 1.00 0.00 N ATOM 0 H GLN A 32 1.118 -1.179 7.761 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.586 -1.684 8.401 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.001 -0.106 10.364 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.127 -1.618 10.224 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.738 -0.364 9.089 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.873 1.126 9.411 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.256 -1.770 10.996 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.670 -0.965 12.513 1.00 0.00 H new ATOM 513 N SER A 33 -0.800 1.420 7.628 1.00 0.00 N ATOM 514 CA SER A 33 -1.332 2.701 7.186 1.00 0.00 C ATOM 515 C SER A 33 -1.885 2.590 5.775 1.00 0.00 C ATOM 516 O SER A 33 -2.965 3.102 5.480 1.00 0.00 O ATOM 517 CB SER A 33 -0.253 3.782 7.250 1.00 0.00 C ATOM 518 OG SER A 33 -0.071 4.246 8.576 1.00 0.00 O ATOM 0 H SER A 33 0.218 1.385 7.683 1.00 0.00 H new ATOM 0 HA SER A 33 -2.144 2.983 7.856 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.687 3.384 6.869 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.531 4.616 6.605 1.00 0.00 H new ATOM 0 HG SER A 33 0.626 4.935 8.589 1.00 0.00 H new ATOM 524 N LEU A 34 -1.151 1.902 4.907 1.00 0.00 N ATOM 525 CA LEU A 34 -1.593 1.713 3.535 1.00 0.00 C ATOM 526 C LEU A 34 -2.908 0.954 3.547 1.00 0.00 C ATOM 527 O LEU A 34 -3.823 1.256 2.780 1.00 0.00 O ATOM 528 CB LEU A 34 -0.502 0.996 2.715 1.00 0.00 C ATOM 529 CG LEU A 34 -0.937 -0.109 1.737 1.00 0.00 C ATOM 530 CD1 LEU A 34 -1.381 -1.359 2.473 1.00 0.00 C ATOM 531 CD2 LEU A 34 -2.031 0.370 0.825 1.00 0.00 C ATOM 0 H LEU A 34 -0.254 1.470 5.129 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.761 2.675 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.037 1.752 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.209 0.559 3.416 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.067 -0.360 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.681 -2.119 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.556 -1.738 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.225 -1.120 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.316 -0.433 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.895 0.668 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.676 1.224 0.248 1.00 0.00 H new ATOM 543 N LYS A 35 -3.017 0.008 4.468 1.00 0.00 N ATOM 544 CA LYS A 35 -4.244 -0.748 4.619 1.00 0.00 C ATOM 545 C LYS A 35 -5.252 0.112 5.354 1.00 0.00 C ATOM 546 O LYS A 35 -6.457 0.012 5.135 1.00 0.00 O ATOM 547 CB LYS A 35 -3.997 -2.045 5.375 1.00 0.00 C ATOM 548 CG LYS A 35 -3.411 -3.139 4.496 1.00 0.00 C ATOM 549 CD LYS A 35 -4.018 -4.496 4.814 1.00 0.00 C ATOM 550 CE LYS A 35 -3.526 -5.028 6.152 1.00 0.00 C ATOM 551 NZ LYS A 35 -4.504 -4.770 7.245 1.00 0.00 N ATOM 0 H LYS A 35 -2.274 -0.251 5.117 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.630 -1.014 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.319 -1.852 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.936 -2.394 5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.587 -2.898 3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.331 -3.181 4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.105 -4.414 4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.764 -5.203 4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.345 -6.100 6.072 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.573 -4.561 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.038 -4.241 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.300 -4.214 6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.857 -5.675 7.616 1.00 0.00 H new ATOM 565 N ASP A 36 -4.742 0.990 6.211 1.00 0.00 N ATOM 566 CA ASP A 36 -5.605 1.899 6.945 1.00 0.00 C ATOM 567 C ASP A 36 -6.463 2.689 5.959 1.00 0.00 C ATOM 568 O ASP A 36 -7.578 3.102 6.278 1.00 0.00 O ATOM 569 CB ASP A 36 -4.773 2.855 7.805 1.00 0.00 C ATOM 570 CG ASP A 36 -5.601 3.536 8.877 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.375 2.836 9.564 1.00 0.00 O ATOM 572 OD2 ASP A 36 -5.475 4.770 9.029 1.00 0.00 O ATOM 0 H ASP A 36 -3.747 1.089 6.411 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.251 1.321 7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.959 2.302 8.274 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.318 3.612 7.166 1.00 0.00 H new ATOM 577 N ASP A 37 -5.930 2.881 4.750 1.00 0.00 N ATOM 578 CA ASP A 37 -6.641 3.604 3.702 1.00 0.00 C ATOM 579 C ASP A 37 -7.419 2.639 2.809 1.00 0.00 C ATOM 580 O ASP A 37 -8.605 2.839 2.545 1.00 0.00 O ATOM 581 CB ASP A 37 -5.658 4.420 2.860 1.00 0.00 C ATOM 582 CG ASP A 37 -5.543 5.855 3.335 1.00 0.00 C ATOM 583 OD1 ASP A 37 -4.947 6.078 4.411 1.00 0.00 O ATOM 584 OD2 ASP A 37 -6.049 6.755 2.635 1.00 0.00 O ATOM 0 H ASP A 37 -5.007 2.544 4.476 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.350 4.282 4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.676 3.949 2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.980 4.409 1.819 1.00 0.00 H new ATOM 589 N GLY A 38 -6.740 1.592 2.344 1.00 0.00 N ATOM 590 CA GLY A 38 -7.380 0.609 1.483 1.00 0.00 C ATOM 591 C GLY A 38 -7.078 -0.817 1.908 1.00 0.00 C ATOM 592 O GLY A 38 -6.616 -1.629 1.108 1.00 0.00 O ATOM 0 H GLY A 38 -5.758 1.407 2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.458 0.768 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.046 0.758 0.456 1.00 0.00 H new ATOM 596 N VAL A 39 -7.337 -1.112 3.177 1.00 0.00 N ATOM 597 CA VAL A 39 -7.093 -2.444 3.734 1.00 0.00 C ATOM 598 C VAL A 39 -7.738 -3.539 2.890 1.00 0.00 C ATOM 599 O VAL A 39 -7.145 -4.597 2.679 1.00 0.00 O ATOM 600 CB VAL A 39 -7.615 -2.557 5.186 1.00 0.00 C ATOM 601 CG1 VAL A 39 -8.899 -1.759 5.376 1.00 0.00 C ATOM 602 CG2 VAL A 39 -7.833 -4.014 5.564 1.00 0.00 C ATOM 0 H VAL A 39 -7.719 -0.444 3.846 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.012 -2.583 3.728 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.857 -2.135 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.240 -1.859 6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.710 -0.708 5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.666 -2.138 4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.200 -4.073 6.589 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.565 -4.459 4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.890 -4.555 5.485 1.00 0.00 H new ATOM 612 N GLN A 40 -8.964 -3.282 2.446 1.00 0.00 N ATOM 613 CA GLN A 40 -9.746 -4.237 1.641 1.00 0.00 C ATOM 614 C GLN A 40 -8.865 -5.110 0.749 1.00 0.00 C ATOM 615 O GLN A 40 -9.208 -6.254 0.453 1.00 0.00 O ATOM 616 CB GLN A 40 -10.755 -3.495 0.758 1.00 0.00 C ATOM 617 CG GLN A 40 -11.300 -2.217 1.373 1.00 0.00 C ATOM 618 CD GLN A 40 -11.865 -2.435 2.764 1.00 0.00 C ATOM 619 OE1 GLN A 40 -11.860 -3.552 3.280 1.00 0.00 O ATOM 620 NE2 GLN A 40 -12.355 -1.364 3.377 1.00 0.00 N ATOM 0 H GLN A 40 -9.452 -2.405 2.630 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.264 -4.884 2.349 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.280 -3.253 -0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.588 -4.163 0.538 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.505 -1.473 1.420 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.079 -1.811 0.728 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.338 -0.457 2.911 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.748 -1.448 4.314 1.00 0.00 H new ATOM 629 N GLY A 41 -7.739 -4.561 0.323 1.00 0.00 N ATOM 630 CA GLY A 41 -6.831 -5.300 -0.535 1.00 0.00 C ATOM 631 C GLY A 41 -5.542 -5.694 0.159 1.00 0.00 C ATOM 632 O GLY A 41 -5.174 -5.118 1.183 1.00 0.00 O ATOM 0 H GLY A 41 -7.435 -3.615 0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.332 -6.199 -0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.595 -4.695 -1.410 1.00 0.00 H new ATOM 636 N VAL A 42 -4.848 -6.663 -0.424 1.00 0.00 N ATOM 637 CA VAL A 42 -3.572 -7.133 0.111 1.00 0.00 C ATOM 638 C VAL A 42 -2.474 -6.839 -0.897 1.00 0.00 C ATOM 639 O VAL A 42 -2.678 -7.019 -2.098 1.00 0.00 O ATOM 640 CB VAL A 42 -3.601 -8.643 0.419 1.00 0.00 C ATOM 641 CG1 VAL A 42 -3.791 -9.449 -0.856 1.00 0.00 C ATOM 642 CG2 VAL A 42 -2.328 -9.063 1.139 1.00 0.00 C ATOM 0 H VAL A 42 -5.148 -7.143 -1.273 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.381 -6.609 1.047 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.448 -8.844 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.808 -10.512 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.733 -9.168 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.968 -9.246 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.365 -10.132 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.465 -8.846 0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.241 -8.512 2.075 1.00 0.00 H new ATOM 652 N TRP A 43 -1.328 -6.346 -0.439 1.00 0.00 N ATOM 653 CA TRP A 43 -0.273 -6.000 -1.378 1.00 0.00 C ATOM 654 C TRP A 43 0.799 -7.060 -1.566 1.00 0.00 C ATOM 655 O TRP A 43 1.038 -7.912 -0.710 1.00 0.00 O ATOM 656 CB TRP A 43 0.373 -4.656 -1.022 1.00 0.00 C ATOM 657 CG TRP A 43 1.363 -4.663 0.118 1.00 0.00 C ATOM 658 CD1 TRP A 43 2.125 -5.697 0.597 1.00 0.00 C ATOM 659 CD2 TRP A 43 1.711 -3.527 0.907 1.00 0.00 C ATOM 660 NE1 TRP A 43 2.919 -5.259 1.630 1.00 0.00 N ATOM 661 CE2 TRP A 43 2.681 -3.928 1.837 1.00 0.00 C ATOM 662 CE3 TRP A 43 1.290 -2.206 0.907 1.00 0.00 C ATOM 663 CZ2 TRP A 43 3.234 -3.044 2.757 1.00 0.00 C ATOM 664 CZ3 TRP A 43 1.834 -1.330 1.820 1.00 0.00 C ATOM 665 CH2 TRP A 43 2.795 -1.745 2.730 1.00 0.00 C ATOM 0 H TRP A 43 -1.111 -6.182 0.544 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.784 -5.925 -2.338 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.878 -4.275 -1.910 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.421 -3.950 -0.779 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.104 -6.708 0.218 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.578 -5.833 2.156 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.546 -1.869 0.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.981 -3.368 3.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.506 -0.301 1.828 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.205 -1.032 3.430 1.00 0.00 H new ATOM 676 N THR A 44 1.458 -6.938 -2.711 1.00 0.00 N ATOM 677 CA THR A 44 2.562 -7.793 -3.101 1.00 0.00 C ATOM 678 C THR A 44 3.699 -6.893 -3.554 1.00 0.00 C ATOM 679 O THR A 44 3.697 -6.396 -4.680 1.00 0.00 O ATOM 680 CB THR A 44 2.148 -8.751 -4.216 1.00 0.00 C ATOM 681 OG1 THR A 44 1.003 -8.268 -4.896 1.00 0.00 O ATOM 682 CG2 THR A 44 1.833 -10.129 -3.696 1.00 0.00 C ATOM 0 H THR A 44 1.232 -6.226 -3.406 1.00 0.00 H new ATOM 0 HA THR A 44 2.877 -8.409 -2.259 1.00 0.00 H new ATOM 0 HB THR A 44 2.999 -8.812 -4.895 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.756 -8.896 -5.607 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.544 -10.774 -4.526 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.714 -10.543 -3.205 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.013 -10.069 -2.980 1.00 0.00 H new ATOM 690 N TYR A 45 4.632 -6.629 -2.654 1.00 0.00 N ATOM 691 CA TYR A 45 5.735 -5.725 -2.957 1.00 0.00 C ATOM 692 C TYR A 45 6.975 -6.449 -3.462 1.00 0.00 C ATOM 693 O TYR A 45 7.275 -7.570 -3.053 1.00 0.00 O ATOM 694 CB TYR A 45 6.055 -4.867 -1.724 1.00 0.00 C ATOM 695 CG TYR A 45 7.520 -4.596 -1.463 1.00 0.00 C ATOM 696 CD1 TYR A 45 8.410 -5.617 -1.142 1.00 0.00 C ATOM 697 CD2 TYR A 45 8.007 -3.296 -1.527 1.00 0.00 C ATOM 698 CE1 TYR A 45 9.740 -5.350 -0.896 1.00 0.00 C ATOM 699 CE2 TYR A 45 9.339 -3.024 -1.281 1.00 0.00 C ATOM 700 CZ TYR A 45 10.201 -4.053 -0.969 1.00 0.00 C ATOM 701 OH TYR A 45 11.529 -3.785 -0.724 1.00 0.00 O ATOM 0 H TYR A 45 4.650 -7.023 -1.713 1.00 0.00 H new ATOM 0 HA TYR A 45 5.414 -5.079 -3.774 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.543 -3.911 -1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.635 -5.358 -0.846 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.053 -6.635 -1.085 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.335 -2.487 -1.772 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.418 -6.153 -0.647 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.703 -2.009 -1.333 1.00 0.00 H new ATOM 0 HH TYR A 45 11.722 -2.852 -0.952 1.00 0.00 H new ATOM 711 N ASP A 46 7.694 -5.768 -4.346 1.00 0.00 N ATOM 712 CA ASP A 46 8.920 -6.291 -4.919 1.00 0.00 C ATOM 713 C ASP A 46 10.124 -5.601 -4.295 1.00 0.00 C ATOM 714 O ASP A 46 10.001 -4.519 -3.718 1.00 0.00 O ATOM 715 CB ASP A 46 8.922 -6.073 -6.431 1.00 0.00 C ATOM 716 CG ASP A 46 9.277 -7.327 -7.193 1.00 0.00 C ATOM 717 OD1 ASP A 46 10.339 -7.923 -6.908 1.00 0.00 O ATOM 718 OD2 ASP A 46 8.493 -7.720 -8.083 1.00 0.00 O ATOM 0 H ASP A 46 7.441 -4.839 -4.683 1.00 0.00 H new ATOM 0 HA ASP A 46 8.979 -7.360 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.938 -5.726 -6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.633 -5.286 -6.681 1.00 0.00 H new ATOM 723 N ASP A 47 11.284 -6.219 -4.436 1.00 0.00 N ATOM 724 CA ASP A 47 12.518 -5.661 -3.912 1.00 0.00 C ATOM 725 C ASP A 47 13.208 -4.886 -5.013 1.00 0.00 C ATOM 726 O ASP A 47 13.817 -3.840 -4.788 1.00 0.00 O ATOM 727 CB ASP A 47 13.420 -6.783 -3.412 1.00 0.00 C ATOM 728 CG ASP A 47 13.781 -6.632 -1.946 1.00 0.00 C ATOM 729 OD1 ASP A 47 14.552 -5.706 -1.618 1.00 0.00 O ATOM 730 OD2 ASP A 47 13.291 -7.439 -1.128 1.00 0.00 O ATOM 0 H ASP A 47 11.397 -7.114 -4.913 1.00 0.00 H new ATOM 0 HA ASP A 47 12.301 -4.994 -3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.921 -7.740 -3.563 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.333 -6.803 -4.007 1.00 0.00 H new ATOM 735 N ALA A 48 13.074 -5.420 -6.214 1.00 0.00 N ATOM 736 CA ALA A 48 13.640 -4.818 -7.402 1.00 0.00 C ATOM 737 C ALA A 48 13.073 -3.423 -7.612 1.00 0.00 C ATOM 738 O ALA A 48 13.767 -2.507 -8.058 1.00 0.00 O ATOM 739 CB ALA A 48 13.312 -5.694 -8.588 1.00 0.00 C ATOM 0 H ALA A 48 12.567 -6.287 -6.391 1.00 0.00 H new ATOM 0 HA ALA A 48 14.721 -4.732 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.732 -5.254 -9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.737 -6.686 -8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.230 -5.775 -8.692 1.00 0.00 H new ATOM 745 N THR A 49 11.794 -3.277 -7.289 1.00 0.00 N ATOM 746 CA THR A 49 11.101 -2.009 -7.445 1.00 0.00 C ATOM 747 C THR A 49 11.001 -1.272 -6.114 1.00 0.00 C ATOM 748 O THR A 49 11.109 -0.048 -6.065 1.00 0.00 O ATOM 749 CB THR A 49 9.701 -2.240 -8.016 1.00 0.00 C ATOM 750 OG1 THR A 49 8.815 -2.687 -7.005 1.00 0.00 O ATOM 751 CG2 THR A 49 9.667 -3.255 -9.128 1.00 0.00 C ATOM 0 H THR A 49 11.214 -4.028 -6.915 1.00 0.00 H new ATOM 0 HA THR A 49 11.676 -1.393 -8.137 1.00 0.00 H new ATOM 0 HB THR A 49 9.393 -1.274 -8.417 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.220 -1.953 -6.744 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.644 -3.369 -9.486 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.302 -2.919 -9.947 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.030 -4.213 -8.757 1.00 0.00 H new ATOM 759 N LYS A 50 10.781 -2.028 -5.040 1.00 0.00 N ATOM 760 CA LYS A 50 10.651 -1.456 -3.701 1.00 0.00 C ATOM 761 C LYS A 50 9.269 -0.848 -3.529 1.00 0.00 C ATOM 762 O LYS A 50 9.098 0.202 -2.903 1.00 0.00 O ATOM 763 CB LYS A 50 11.714 -0.391 -3.456 1.00 0.00 C ATOM 764 CG LYS A 50 13.096 -0.780 -3.952 1.00 0.00 C ATOM 765 CD LYS A 50 13.725 0.324 -4.786 1.00 0.00 C ATOM 766 CE LYS A 50 15.240 0.306 -4.683 1.00 0.00 C ATOM 767 NZ LYS A 50 15.823 1.672 -4.800 1.00 0.00 N ATOM 0 H LYS A 50 10.689 -3.043 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 50 10.790 -2.256 -2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.409 0.533 -3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.767 -0.183 -2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.739 -1.004 -3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.026 -1.691 -4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.429 0.207 -5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.348 1.291 -4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.533 -0.133 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.649 -0.331 -5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.859 1.615 -4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.565 2.082 -5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.453 2.274 -4.037 1.00 0.00 H new ATOM 781 N THR A 51 8.289 -1.511 -4.115 1.00 0.00 N ATOM 782 CA THR A 51 6.915 -1.045 -4.062 1.00 0.00 C ATOM 783 C THR A 51 5.949 -2.191 -3.806 1.00 0.00 C ATOM 784 O THR A 51 6.211 -3.327 -4.190 1.00 0.00 O ATOM 785 CB THR A 51 6.558 -0.348 -5.371 1.00 0.00 C ATOM 786 OG1 THR A 51 7.482 -0.686 -6.391 1.00 0.00 O ATOM 787 CG2 THR A 51 6.542 1.154 -5.250 1.00 0.00 C ATOM 0 H THR A 51 8.420 -2.378 -4.636 1.00 0.00 H new ATOM 0 HA THR A 51 6.827 -0.341 -3.234 1.00 0.00 H new ATOM 0 HB THR A 51 5.555 -0.693 -5.622 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.233 -0.230 -7.222 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.282 1.594 -6.213 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.805 1.451 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.528 1.505 -4.945 1.00 0.00 H new ATOM 795 N PHE A 52 4.821 -1.877 -3.175 1.00 0.00 N ATOM 796 CA PHE A 52 3.801 -2.874 -2.886 1.00 0.00 C ATOM 797 C PHE A 52 2.491 -2.491 -3.559 1.00 0.00 C ATOM 798 O PHE A 52 2.207 -1.313 -3.752 1.00 0.00 O ATOM 799 CB PHE A 52 3.582 -3.049 -1.373 1.00 0.00 C ATOM 800 CG PHE A 52 4.571 -2.328 -0.489 1.00 0.00 C ATOM 801 CD1 PHE A 52 4.724 -0.953 -0.559 1.00 0.00 C ATOM 802 CD2 PHE A 52 5.354 -3.036 0.414 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.636 -0.304 0.245 1.00 0.00 C ATOM 804 CE2 PHE A 52 6.266 -2.392 1.216 1.00 0.00 C ATOM 805 CZ PHE A 52 6.408 -1.026 1.134 1.00 0.00 C ATOM 0 H PHE A 52 4.592 -0.936 -2.854 1.00 0.00 H new ATOM 0 HA PHE A 52 4.151 -3.827 -3.283 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.579 -2.702 -1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.618 -4.113 -1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.122 -0.383 -1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.245 -4.108 0.487 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.747 0.768 0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.870 -2.958 1.910 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.123 -0.518 1.765 1.00 0.00 H new ATOM 815 N THR A 53 1.698 -3.490 -3.920 1.00 0.00 N ATOM 816 CA THR A 53 0.427 -3.242 -4.574 1.00 0.00 C ATOM 817 C THR A 53 -0.711 -3.883 -3.782 1.00 0.00 C ATOM 818 O THR A 53 -0.922 -5.091 -3.875 1.00 0.00 O ATOM 819 CB THR A 53 0.466 -3.799 -6.001 1.00 0.00 C ATOM 820 OG1 THR A 53 1.171 -2.930 -6.866 1.00 0.00 O ATOM 821 CG2 THR A 53 -0.903 -4.033 -6.600 1.00 0.00 C ATOM 0 H THR A 53 1.914 -4.476 -3.770 1.00 0.00 H new ATOM 0 HA THR A 53 0.251 -2.167 -4.617 1.00 0.00 H new ATOM 0 HB THR A 53 0.971 -4.761 -5.912 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.184 -3.308 -7.770 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.795 -4.427 -7.610 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.451 -4.749 -5.987 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.451 -3.091 -6.634 1.00 0.00 H new ATOM 829 N VAL A 54 -1.448 -3.081 -3.011 1.00 0.00 N ATOM 830 CA VAL A 54 -2.553 -3.614 -2.218 1.00 0.00 C ATOM 831 C VAL A 54 -3.744 -3.927 -3.111 1.00 0.00 C ATOM 832 O VAL A 54 -4.550 -3.061 -3.437 1.00 0.00 O ATOM 833 CB VAL A 54 -2.966 -2.646 -1.073 1.00 0.00 C ATOM 834 CG1 VAL A 54 -4.474 -2.625 -0.842 1.00 0.00 C ATOM 835 CG2 VAL A 54 -2.256 -3.027 0.212 1.00 0.00 C ATOM 0 H VAL A 54 -1.302 -2.076 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.208 -4.537 -1.753 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.669 -1.643 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.709 -1.934 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.977 -2.301 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.815 -3.625 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.552 -2.343 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.527 -4.046 0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.178 -2.966 0.064 1.00 0.00 H new ATOM 845 N GLN A 55 -3.830 -5.181 -3.517 1.00 0.00 N ATOM 846 CA GLN A 55 -4.890 -5.633 -4.386 1.00 0.00 C ATOM 847 C GLN A 55 -5.923 -6.451 -3.617 1.00 0.00 C ATOM 848 O GLN A 55 -5.582 -7.374 -2.879 1.00 0.00 O ATOM 849 CB GLN A 55 -4.278 -6.447 -5.524 1.00 0.00 C ATOM 850 CG GLN A 55 -5.186 -7.532 -6.081 1.00 0.00 C ATOM 851 CD GLN A 55 -4.698 -8.081 -7.407 1.00 0.00 C ATOM 852 OE1 GLN A 55 -4.484 -9.284 -7.553 1.00 0.00 O ATOM 853 NE2 GLN A 55 -4.519 -7.198 -8.383 1.00 0.00 N ATOM 0 H GLN A 55 -3.167 -5.909 -3.252 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.413 -4.770 -4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.004 -5.769 -6.333 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.356 -6.909 -5.169 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.257 -8.346 -5.360 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.191 -7.129 -6.207 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.709 -6.210 -8.218 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.192 -7.508 -9.298 1.00 0.00 H new ATOM 862 N ALA A 56 -7.188 -6.101 -3.806 1.00 0.00 N ATOM 863 CA ALA A 56 -8.284 -6.794 -3.142 1.00 0.00 C ATOM 864 C ALA A 56 -9.023 -7.710 -4.113 1.00 0.00 C ATOM 865 O ALA A 56 -9.628 -7.186 -5.073 1.00 0.00 O ATOM 866 CB ALA A 56 -9.248 -5.791 -2.525 1.00 0.00 C ATOM 867 OXT ALA A 56 -8.989 -8.941 -3.906 1.00 0.00 O ATOM 0 H ALA A 56 -7.481 -5.338 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.862 -7.411 -2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.062 -6.324 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.719 -5.180 -1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.655 -5.149 -3.307 1.00 0.00 H new