USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 739 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 72 ASN : amide:sc= -1.39 X(o=-2.4,f=-2.3) USER MOD Set 1.2: A 87 GLN : amide:sc= -0.96 K(o=-2.4,f=-5.1!) USER MOD Set 2.1: A 6 CYS SG : rot 15:sc= 0.176 USER MOD Set 2.2: A 26 GLN : amide:sc= 0 X(o=0.18,f=-0.28) USER MOD Single : A 8 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0122) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 1.74 (180deg=1.48) USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0866) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.425 K(o=0.43,f=-3.4!) USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 0.571 (180deg=0.568) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc=-0.00295 K(o=-0.003,f=-1.5) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -3.15! K(o=-3.1!,f=-1.2) USER MOD Single : A 62 SER OG : rot -134:sc= -0.378 USER MOD Single : A 84 TYR OH : rot 101:sc= -1.88! USER MOD Single : A 85 GLN : amide:sc= -3.31! C(o=-3.3!,f=-1.4!) USER MOD Single : A 89 GLN : amide:sc= 0.936 K(o=0.94,f=-0.16) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -34:sc= 0.195 USER MOD ----------------------------------------------------------------- ATOM 48 N LEU A 5 16.311 -1.214 3.724 1.00 0.43 N ATOM 49 CA LEU A 5 15.237 -0.514 4.399 1.00 0.45 C ATOM 50 C LEU A 5 14.042 -1.448 4.531 1.00 0.37 C ATOM 51 O LEU A 5 13.842 -2.315 3.688 1.00 0.42 O ATOM 52 CB LEU A 5 14.865 0.749 3.610 1.00 0.52 C ATOM 53 CG LEU A 5 14.076 0.509 2.321 1.00 0.60 C ATOM 54 CD1 LEU A 5 12.595 0.748 2.550 1.00 1.28 C ATOM 55 CD2 LEU A 5 14.591 1.393 1.202 1.00 1.27 C ATOM 0 HA LEU A 5 15.556 -0.209 5.395 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.280 1.402 4.258 1.00 0.52 H new ATOM 0 HB3 LEU A 5 15.781 1.284 3.361 1.00 0.52 H new ATOM 0 HG LEU A 5 14.216 -0.531 2.025 1.00 0.60 H new ATOM 0 HD11 LEU A 5 12.050 0.572 1.622 1.00 1.28 H new ATOM 0 HD12 LEU A 5 12.231 0.066 3.319 1.00 1.28 H new ATOM 0 HD13 LEU A 5 12.438 1.777 2.874 1.00 1.28 H new ATOM 0 HD21 LEU A 5 14.015 1.205 0.296 1.00 1.27 H new ATOM 0 HD22 LEU A 5 14.487 2.440 1.488 1.00 1.27 H new ATOM 0 HD23 LEU A 5 15.642 1.171 1.017 1.00 1.27 H new ATOM 67 N CYS A 6 13.262 -1.302 5.582 1.00 0.34 N ATOM 68 CA CYS A 6 12.072 -2.124 5.740 1.00 0.31 C ATOM 69 C CYS A 6 10.836 -1.244 5.811 1.00 0.24 C ATOM 70 O CYS A 6 10.812 -0.261 6.550 1.00 0.27 O ATOM 71 CB CYS A 6 12.173 -2.997 6.992 1.00 0.40 C ATOM 72 SG CYS A 6 10.807 -4.169 7.180 1.00 1.35 S ATOM 0 H CYS A 6 13.424 -0.631 6.333 1.00 0.34 H new ATOM 0 HA CYS A 6 11.992 -2.781 4.874 1.00 0.31 H new ATOM 0 HB2 CYS A 6 13.112 -3.550 6.963 1.00 0.40 H new ATOM 0 HB3 CYS A 6 12.210 -2.353 7.870 1.00 0.40 H new ATOM 0 HG CYS A 6 10.164 -4.270 6.055 1.00 1.35 H new ATOM 78 N VAL A 7 9.815 -1.593 5.045 1.00 0.24 N ATOM 79 CA VAL A 7 8.600 -0.800 5.010 1.00 0.25 C ATOM 80 C VAL A 7 7.454 -1.540 5.691 1.00 0.25 C ATOM 81 O VAL A 7 7.441 -2.772 5.760 1.00 0.31 O ATOM 82 CB VAL A 7 8.206 -0.411 3.565 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.273 0.465 2.941 1.00 0.64 C ATOM 84 CG2 VAL A 7 7.956 -1.638 2.708 1.00 0.61 C ATOM 0 H VAL A 7 9.804 -2.416 4.443 1.00 0.24 H new ATOM 0 HA VAL A 7 8.800 0.122 5.557 1.00 0.25 H new ATOM 0 HB VAL A 7 7.275 0.154 3.615 1.00 0.28 H new ATOM 0 HG11 VAL A 7 8.979 0.729 1.925 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.390 1.373 3.532 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.219 -0.076 2.916 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.681 -1.328 1.700 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.861 -2.244 2.667 1.00 0.61 H new ATOM 0 HG23 VAL A 7 7.146 -2.225 3.140 1.00 0.61 H new ATOM 94 N LYS A 8 6.506 -0.781 6.210 1.00 0.26 N ATOM 95 CA LYS A 8 5.371 -1.342 6.922 1.00 0.28 C ATOM 96 C LYS A 8 4.090 -0.975 6.192 1.00 0.28 C ATOM 97 O LYS A 8 3.773 0.199 6.055 1.00 0.38 O ATOM 98 CB LYS A 8 5.345 -0.810 8.359 1.00 0.35 C ATOM 99 CG LYS A 8 4.368 -1.535 9.278 1.00 0.61 C ATOM 100 CD LYS A 8 2.939 -1.016 9.149 1.00 0.86 C ATOM 101 CE LYS A 8 2.835 0.471 9.471 1.00 1.08 C ATOM 102 NZ LYS A 8 3.153 0.770 10.896 1.00 1.61 N ATOM 0 H LYS A 8 6.500 0.237 6.151 1.00 0.26 H new ATOM 0 HA LYS A 8 5.459 -2.428 6.959 1.00 0.28 H new ATOM 0 HB2 LYS A 8 6.347 -0.886 8.781 1.00 0.35 H new ATOM 0 HB3 LYS A 8 5.088 0.249 8.338 1.00 0.35 H new ATOM 0 HG2 LYS A 8 4.385 -2.601 9.050 1.00 0.61 H new ATOM 0 HG3 LYS A 8 4.698 -1.425 10.311 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.580 -1.192 8.135 1.00 0.86 H new ATOM 0 HD3 LYS A 8 2.288 -1.578 9.819 1.00 0.86 H new ATOM 0 HE2 LYS A 8 3.515 1.028 8.826 1.00 1.08 H new ATOM 0 HE3 LYS A 8 1.827 0.818 9.247 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 3.002 1.782 11.080 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 2.533 0.209 11.515 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 4.146 0.527 11.089 1.00 1.61 H new ATOM 116 N VAL A 9 3.359 -1.973 5.727 1.00 0.25 N ATOM 117 CA VAL A 9 2.121 -1.738 5.011 1.00 0.26 C ATOM 118 C VAL A 9 0.940 -2.126 5.893 1.00 0.23 C ATOM 119 O VAL A 9 0.967 -3.161 6.556 1.00 0.27 O ATOM 120 CB VAL A 9 2.079 -2.538 3.685 1.00 0.30 C ATOM 121 CG1 VAL A 9 3.237 -2.153 2.779 1.00 0.89 C ATOM 122 CG2 VAL A 9 2.069 -4.026 3.947 1.00 0.77 C ATOM 0 H VAL A 9 3.604 -2.957 5.834 1.00 0.25 H new ATOM 0 HA VAL A 9 2.062 -0.678 4.765 1.00 0.26 H new ATOM 0 HB VAL A 9 1.152 -2.283 3.172 1.00 0.30 H new ATOM 0 HG11 VAL A 9 3.184 -2.729 1.855 1.00 0.89 H new ATOM 0 HG12 VAL A 9 3.179 -1.090 2.547 1.00 0.89 H new ATOM 0 HG13 VAL A 9 4.180 -2.364 3.284 1.00 0.89 H new ATOM 0 HG21 VAL A 9 2.039 -4.562 2.999 1.00 0.77 H new ATOM 0 HG22 VAL A 9 2.970 -4.305 4.494 1.00 0.77 H new ATOM 0 HG23 VAL A 9 1.191 -4.285 4.538 1.00 0.77 H new ATOM 132 N GLU A 10 -0.071 -1.281 5.962 1.00 0.21 N ATOM 133 CA GLU A 10 -1.223 -1.591 6.788 1.00 0.23 C ATOM 134 C GLU A 10 -2.519 -1.049 6.175 1.00 0.25 C ATOM 135 O GLU A 10 -2.492 -0.224 5.259 1.00 0.26 O ATOM 136 CB GLU A 10 -1.026 -1.024 8.201 1.00 0.28 C ATOM 137 CG GLU A 10 -2.010 -1.565 9.225 1.00 0.37 C ATOM 138 CD GLU A 10 -1.827 -0.958 10.596 1.00 0.48 C ATOM 139 OE1 GLU A 10 -0.725 -1.096 11.161 1.00 0.99 O ATOM 140 OE2 GLU A 10 -2.770 -0.313 11.097 1.00 1.08 O ATOM 0 H GLU A 10 -0.120 -0.391 5.466 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.312 -2.676 6.845 1.00 0.23 H new ATOM 0 HB2 GLU A 10 -0.012 -1.247 8.533 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -1.117 0.061 8.162 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -3.026 -1.373 8.881 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -1.896 -2.647 9.294 1.00 0.37 H new ATOM 147 N PHE A 11 -3.645 -1.522 6.694 1.00 0.30 N ATOM 148 CA PHE A 11 -4.957 -1.011 6.325 1.00 0.34 C ATOM 149 C PHE A 11 -5.630 -0.404 7.549 1.00 0.34 C ATOM 150 O PHE A 11 -5.604 -0.995 8.628 1.00 0.74 O ATOM 151 CB PHE A 11 -5.816 -2.132 5.748 1.00 0.74 C ATOM 152 CG PHE A 11 -5.209 -2.754 4.532 1.00 2.12 C ATOM 153 CD1 PHE A 11 -5.181 -2.065 3.333 1.00 2.89 C ATOM 154 CD2 PHE A 11 -4.653 -4.020 4.588 1.00 2.77 C ATOM 155 CE1 PHE A 11 -4.608 -2.626 2.213 1.00 4.21 C ATOM 156 CE2 PHE A 11 -4.081 -4.586 3.472 1.00 4.09 C ATOM 157 CZ PHE A 11 -4.058 -3.888 2.284 1.00 4.80 C ATOM 0 H PHE A 11 -3.673 -2.273 7.384 1.00 0.30 H new ATOM 0 HA PHE A 11 -4.841 -0.240 5.563 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -5.964 -2.899 6.508 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -6.801 -1.738 5.497 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.613 -1.077 3.274 1.00 2.89 H new ATOM 0 HD2 PHE A 11 -4.668 -4.570 5.518 1.00 2.77 H new ATOM 0 HE1 PHE A 11 -4.590 -2.079 1.282 1.00 4.21 H new ATOM 0 HE2 PHE A 11 -3.651 -5.575 3.527 1.00 4.09 H new ATOM 0 HZ PHE A 11 -3.608 -4.330 1.407 1.00 4.80 H new ATOM 167 N GLY A 12 -6.223 0.773 7.388 1.00 0.23 N ATOM 168 CA GLY A 12 -6.741 1.493 8.540 1.00 0.39 C ATOM 169 C GLY A 12 -8.167 1.981 8.372 1.00 0.28 C ATOM 170 O GLY A 12 -8.978 1.853 9.288 1.00 0.34 O ATOM 0 H GLY A 12 -6.355 1.240 6.491 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.691 0.844 9.414 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -6.096 2.349 8.741 1.00 0.39 H new ATOM 174 N GLY A 13 -8.477 2.535 7.203 1.00 0.24 N ATOM 175 CA GLY A 13 -9.797 3.116 6.972 1.00 0.26 C ATOM 176 C GLY A 13 -10.880 2.076 6.762 1.00 0.29 C ATOM 177 O GLY A 13 -11.657 2.171 5.819 1.00 0.45 O ATOM 0 H GLY A 13 -7.840 2.594 6.408 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -10.065 3.743 7.823 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -9.753 3.766 6.098 1.00 0.26 H new ATOM 181 N GLY A 14 -10.935 1.084 7.642 1.00 0.28 N ATOM 182 CA GLY A 14 -11.862 -0.018 7.465 1.00 0.35 C ATOM 183 C GLY A 14 -11.522 -0.844 6.239 1.00 0.36 C ATOM 184 O GLY A 14 -12.306 -1.687 5.803 1.00 0.41 O ATOM 0 H GLY A 14 -10.353 1.023 8.477 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.844 -0.655 8.350 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.876 0.371 7.373 1.00 0.35 H new ATOM 188 N ALA A 15 -10.330 -0.607 5.699 1.00 0.35 N ATOM 189 CA ALA A 15 -9.892 -1.253 4.469 1.00 0.39 C ATOM 190 C ALA A 15 -9.634 -2.733 4.700 1.00 0.39 C ATOM 191 O ALA A 15 -9.780 -3.543 3.796 1.00 0.42 O ATOM 192 CB ALA A 15 -8.645 -0.559 3.936 1.00 0.44 C ATOM 0 H ALA A 15 -9.645 0.034 6.100 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.684 -1.167 3.725 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -8.322 -1.047 3.016 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.870 0.488 3.732 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.849 -0.621 4.678 1.00 0.44 H new ATOM 198 N GLU A 16 -9.278 -3.077 5.927 1.00 0.38 N ATOM 199 CA GLU A 16 -8.987 -4.460 6.297 1.00 0.38 C ATOM 200 C GLU A 16 -10.206 -5.350 6.125 1.00 0.36 C ATOM 201 O GLU A 16 -10.072 -6.544 5.888 1.00 0.37 O ATOM 202 CB GLU A 16 -8.494 -4.523 7.739 1.00 0.45 C ATOM 203 CG GLU A 16 -9.491 -3.936 8.727 1.00 0.57 C ATOM 204 CD GLU A 16 -8.934 -3.777 10.121 1.00 1.19 C ATOM 205 OE1 GLU A 16 -8.995 -4.741 10.909 1.00 1.54 O ATOM 206 OE2 GLU A 16 -8.462 -2.671 10.449 1.00 1.60 O ATOM 0 H GLU A 16 -9.182 -2.412 6.694 1.00 0.38 H new ATOM 0 HA GLU A 16 -8.206 -4.828 5.631 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.293 -5.561 8.005 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.549 -3.985 7.819 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -9.821 -2.963 8.363 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -10.372 -4.577 8.767 1.00 0.57 H new ATOM 213 N LEU A 17 -11.392 -4.768 6.250 1.00 0.35 N ATOM 214 CA LEU A 17 -12.631 -5.518 6.098 1.00 0.37 C ATOM 215 C LEU A 17 -12.776 -6.030 4.665 1.00 0.36 C ATOM 216 O LEU A 17 -13.549 -6.949 4.399 1.00 0.41 O ATOM 217 CB LEU A 17 -13.825 -4.641 6.477 1.00 0.39 C ATOM 218 CG LEU A 17 -13.771 -4.049 7.889 1.00 0.41 C ATOM 219 CD1 LEU A 17 -14.950 -3.119 8.124 1.00 0.88 C ATOM 220 CD2 LEU A 17 -13.747 -5.153 8.936 1.00 0.83 C ATOM 0 H LEU A 17 -11.521 -3.778 6.457 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.603 -6.379 6.766 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.899 -3.824 5.759 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.736 -5.232 6.382 1.00 0.39 H new ATOM 0 HG LEU A 17 -12.852 -3.471 7.980 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -14.894 -2.708 9.132 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -14.922 -2.306 7.399 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -15.880 -3.675 8.010 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -13.709 -4.710 9.931 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.647 -5.761 8.844 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -12.868 -5.780 8.784 1.00 0.83 H new ATOM 232 N LEU A 18 -12.001 -5.441 3.756 1.00 0.35 N ATOM 233 CA LEU A 18 -11.958 -5.887 2.367 1.00 0.39 C ATOM 234 C LEU A 18 -11.124 -7.158 2.284 1.00 0.42 C ATOM 235 O LEU A 18 -11.228 -7.945 1.339 1.00 0.49 O ATOM 236 CB LEU A 18 -11.330 -4.804 1.483 1.00 0.38 C ATOM 237 CG LEU A 18 -12.080 -3.470 1.438 1.00 0.42 C ATOM 238 CD1 LEU A 18 -11.159 -2.359 0.967 1.00 0.47 C ATOM 239 CD2 LEU A 18 -13.282 -3.560 0.513 1.00 0.49 C ATOM 0 H LEU A 18 -11.391 -4.649 3.960 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.972 -6.081 2.017 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -10.315 -4.618 1.833 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -11.251 -5.190 0.467 1.00 0.38 H new ATOM 0 HG LEU A 18 -12.426 -3.245 2.447 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -11.708 -1.418 0.941 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -10.317 -2.269 1.653 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -10.790 -2.591 -0.032 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -13.800 -2.601 0.496 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -12.948 -3.810 -0.494 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -13.961 -4.333 0.873 1.00 0.49 H new ATOM 251 N PHE A 19 -10.290 -7.339 3.299 1.00 0.39 N ATOM 252 CA PHE A 19 -9.380 -8.464 3.374 1.00 0.47 C ATOM 253 C PHE A 19 -9.704 -9.318 4.594 1.00 0.60 C ATOM 254 O PHE A 19 -8.814 -9.931 5.181 1.00 0.97 O ATOM 255 CB PHE A 19 -7.945 -7.945 3.460 1.00 0.45 C ATOM 256 CG PHE A 19 -7.650 -6.864 2.462 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.271 -7.180 1.174 1.00 0.42 C ATOM 258 CD2 PHE A 19 -7.765 -5.531 2.814 1.00 0.71 C ATOM 259 CE1 PHE A 19 -7.009 -6.189 0.254 1.00 0.52 C ATOM 260 CE2 PHE A 19 -7.506 -4.534 1.898 1.00 0.75 C ATOM 261 CZ PHE A 19 -7.126 -4.863 0.616 1.00 0.59 C ATOM 0 H PHE A 19 -10.229 -6.704 4.095 1.00 0.39 H new ATOM 0 HA PHE A 19 -9.489 -9.080 2.481 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.762 -7.564 4.465 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -7.255 -8.774 3.303 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -7.179 -8.216 0.884 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -8.061 -5.268 3.819 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -6.712 -6.450 -0.751 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -7.601 -3.497 2.185 1.00 0.75 H new ATOM 0 HZ PHE A 19 -6.920 -4.085 -0.104 1.00 0.59 H new ATOM 271 N ASP A 20 -10.988 -9.325 4.971 1.00 0.55 N ATOM 272 CA ASP A 20 -11.504 -10.144 6.083 1.00 0.69 C ATOM 273 C ASP A 20 -11.187 -9.529 7.449 1.00 0.72 C ATOM 274 O ASP A 20 -11.941 -9.706 8.406 1.00 1.07 O ATOM 275 CB ASP A 20 -10.960 -11.580 6.005 1.00 0.80 C ATOM 276 CG ASP A 20 -11.489 -12.488 7.100 1.00 1.16 C ATOM 277 OD1 ASP A 20 -10.897 -12.512 8.201 1.00 1.28 O ATOM 278 OD2 ASP A 20 -12.478 -13.205 6.852 1.00 1.55 O ATOM 0 H ASP A 20 -11.705 -8.761 4.513 1.00 0.55 H new ATOM 0 HA ASP A 20 -12.589 -10.172 5.979 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -11.218 -12.005 5.035 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -9.872 -11.551 6.062 1.00 0.80 H new ATOM 283 N GLY A 21 -10.101 -8.777 7.533 1.00 0.57 N ATOM 284 CA GLY A 21 -9.673 -8.238 8.811 1.00 0.59 C ATOM 285 C GLY A 21 -8.167 -8.194 8.960 1.00 0.59 C ATOM 286 O GLY A 21 -7.657 -7.714 9.971 1.00 0.79 O ATOM 0 H GLY A 21 -9.507 -8.529 6.742 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -10.074 -7.231 8.927 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -10.094 -8.843 9.614 1.00 0.59 H new ATOM 290 N VAL A 22 -7.443 -8.698 7.971 1.00 0.51 N ATOM 291 CA VAL A 22 -5.997 -8.565 7.981 1.00 0.53 C ATOM 292 C VAL A 22 -5.620 -7.163 7.506 1.00 0.45 C ATOM 293 O VAL A 22 -6.037 -6.717 6.435 1.00 0.47 O ATOM 294 CB VAL A 22 -5.294 -9.650 7.124 1.00 0.68 C ATOM 295 CG1 VAL A 22 -5.758 -9.607 5.680 1.00 1.02 C ATOM 296 CG2 VAL A 22 -3.782 -9.506 7.207 1.00 1.41 C ATOM 0 H VAL A 22 -7.826 -9.194 7.166 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.650 -8.714 9.003 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.572 -10.622 7.531 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -5.244 -10.381 5.110 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -6.834 -9.779 5.638 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -5.530 -8.630 5.253 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -3.309 -10.277 6.599 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -3.489 -8.523 6.839 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -3.462 -9.615 8.243 1.00 1.41 H new ATOM 306 N LYS A 23 -4.866 -6.457 8.331 1.00 0.48 N ATOM 307 CA LYS A 23 -4.565 -5.059 8.081 1.00 0.52 C ATOM 308 C LYS A 23 -3.065 -4.817 7.985 1.00 0.40 C ATOM 309 O LYS A 23 -2.570 -4.359 6.959 1.00 0.37 O ATOM 310 CB LYS A 23 -5.172 -4.181 9.184 1.00 0.75 C ATOM 311 CG LYS A 23 -5.421 -4.925 10.488 1.00 0.85 C ATOM 312 CD LYS A 23 -5.840 -4.000 11.624 1.00 1.06 C ATOM 313 CE LYS A 23 -4.789 -2.940 11.932 1.00 1.11 C ATOM 314 NZ LYS A 23 -5.075 -1.644 11.258 1.00 2.07 N ATOM 0 H LYS A 23 -4.450 -6.832 9.183 1.00 0.48 H new ATOM 0 HA LYS A 23 -5.008 -4.790 7.122 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -4.505 -3.341 9.377 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -6.114 -3.764 8.828 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -6.197 -5.675 10.331 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -4.515 -5.459 10.775 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -6.779 -3.511 11.363 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -6.028 -4.592 12.520 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -4.740 -2.783 13.010 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -3.810 -3.301 11.618 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -4.254 -1.013 11.357 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -5.263 -1.812 10.249 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -5.908 -1.201 11.696 1.00 2.07 H new ATOM 328 N LYS A 24 -2.346 -5.126 9.048 1.00 0.38 N ATOM 329 CA LYS A 24 -0.922 -4.832 9.111 1.00 0.33 C ATOM 330 C LYS A 24 -0.084 -5.955 8.513 1.00 0.34 C ATOM 331 O LYS A 24 -0.328 -7.138 8.757 1.00 0.47 O ATOM 332 CB LYS A 24 -0.503 -4.565 10.558 1.00 0.43 C ATOM 333 CG LYS A 24 0.984 -4.304 10.726 1.00 0.49 C ATOM 334 CD LYS A 24 1.312 -3.867 12.143 1.00 0.66 C ATOM 335 CE LYS A 24 2.797 -3.977 12.436 1.00 1.04 C ATOM 336 NZ LYS A 24 3.218 -5.392 12.613 1.00 1.59 N ATOM 0 H LYS A 24 -2.722 -5.580 9.880 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.741 -3.938 8.515 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -1.058 -3.706 10.935 1.00 0.43 H new ATOM 0 HB3 LYS A 24 -0.784 -5.421 11.172 1.00 0.43 H new ATOM 0 HG2 LYS A 24 1.543 -5.207 10.483 1.00 0.49 H new ATOM 0 HG3 LYS A 24 1.302 -3.534 10.023 1.00 0.49 H new ATOM 0 HD2 LYS A 24 0.988 -2.837 12.290 1.00 0.66 H new ATOM 0 HD3 LYS A 24 0.755 -4.481 12.851 1.00 0.66 H new ATOM 0 HE2 LYS A 24 3.363 -3.528 11.620 1.00 1.04 H new ATOM 0 HE3 LYS A 24 3.033 -3.411 13.337 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 4.180 -5.421 13.008 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 2.562 -5.871 13.263 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 3.207 -5.875 11.692 1.00 1.59 H new ATOM 350 N HIS A 25 0.895 -5.556 7.717 1.00 0.29 N ATOM 351 CA HIS A 25 1.845 -6.470 7.112 1.00 0.34 C ATOM 352 C HIS A 25 3.211 -5.794 7.034 1.00 0.34 C ATOM 353 O HIS A 25 3.318 -4.655 6.592 1.00 0.43 O ATOM 354 CB HIS A 25 1.369 -6.861 5.706 1.00 0.42 C ATOM 355 CG HIS A 25 2.268 -7.835 5.001 1.00 0.69 C ATOM 356 ND1 HIS A 25 3.187 -7.453 4.048 1.00 1.46 N ATOM 357 CD2 HIS A 25 2.374 -9.180 5.103 1.00 1.39 C ATOM 358 CE1 HIS A 25 3.817 -8.522 3.597 1.00 1.58 C ATOM 359 NE2 HIS A 25 3.345 -9.582 4.218 1.00 1.44 N ATOM 0 H HIS A 25 1.052 -4.579 7.472 1.00 0.29 H new ATOM 0 HA HIS A 25 1.922 -7.372 7.718 1.00 0.34 H new ATOM 0 HB2 HIS A 25 0.371 -7.293 5.779 1.00 0.42 H new ATOM 0 HB3 HIS A 25 1.283 -5.959 5.100 1.00 0.42 H new ATOM 0 HD2 HIS A 25 1.801 -9.819 5.759 1.00 1.39 H new ATOM 0 HE1 HIS A 25 4.591 -8.526 2.844 1.00 1.58 H new ATOM 0 HE2 HIS A 25 3.650 -10.544 4.067 1.00 1.44 H new ATOM 368 N GLN A 26 4.255 -6.466 7.470 1.00 0.36 N ATOM 369 CA GLN A 26 5.584 -5.890 7.375 1.00 0.38 C ATOM 370 C GLN A 26 6.357 -6.548 6.244 1.00 0.33 C ATOM 371 O GLN A 26 6.517 -7.768 6.212 1.00 0.47 O ATOM 372 CB GLN A 26 6.337 -6.018 8.697 1.00 0.54 C ATOM 373 CG GLN A 26 7.629 -5.216 8.719 1.00 0.67 C ATOM 374 CD GLN A 26 8.330 -5.258 10.059 1.00 1.12 C ATOM 375 OE1 GLN A 26 8.227 -6.239 10.799 1.00 1.84 O ATOM 376 NE2 GLN A 26 9.046 -4.194 10.385 1.00 1.59 N ATOM 0 H GLN A 26 4.215 -7.396 7.887 1.00 0.36 H new ATOM 0 HA GLN A 26 5.484 -4.827 7.157 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.693 -5.684 9.511 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.563 -7.068 8.881 1.00 0.54 H new ATOM 0 HG2 GLN A 26 8.301 -5.600 7.952 1.00 0.67 H new ATOM 0 HG3 GLN A 26 7.411 -4.179 8.462 1.00 0.67 H new ATOM 0 HE21 GLN A 26 9.105 -3.403 9.744 1.00 1.59 H new ATOM 0 HE22 GLN A 26 9.539 -4.165 11.278 1.00 1.59 H new ATOM 385 N VAL A 27 6.822 -5.736 5.311 1.00 0.29 N ATOM 386 CA VAL A 27 7.513 -6.238 4.139 1.00 0.29 C ATOM 387 C VAL A 27 8.935 -5.679 4.076 1.00 0.28 C ATOM 388 O VAL A 27 9.150 -4.467 4.154 1.00 0.31 O ATOM 389 CB VAL A 27 6.717 -5.929 2.840 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.226 -4.486 2.805 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.548 -6.242 1.606 1.00 0.44 C ATOM 0 H VAL A 27 6.732 -4.720 5.344 1.00 0.29 H new ATOM 0 HA VAL A 27 7.583 -7.323 4.221 1.00 0.29 H new ATOM 0 HB VAL A 27 5.839 -6.575 2.839 1.00 0.35 H new ATOM 0 HG11 VAL A 27 5.675 -4.312 1.881 1.00 0.44 H new ATOM 0 HG12 VAL A 27 5.572 -4.303 3.658 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.080 -3.810 2.851 1.00 0.44 H new ATOM 0 HG21 VAL A 27 6.969 -6.017 0.711 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.454 -5.636 1.614 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.818 -7.298 1.608 1.00 0.44 H new ATOM 401 N ALA A 28 9.905 -6.577 3.966 1.00 0.31 N ATOM 402 CA ALA A 28 11.310 -6.205 4.027 1.00 0.33 C ATOM 403 C ALA A 28 11.916 -6.100 2.636 1.00 0.28 C ATOM 404 O ALA A 28 11.746 -6.994 1.805 1.00 0.29 O ATOM 405 CB ALA A 28 12.079 -7.210 4.866 1.00 0.41 C ATOM 0 H ALA A 28 9.741 -7.575 3.833 1.00 0.31 H new ATOM 0 HA ALA A 28 11.380 -5.223 4.494 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.130 -6.923 4.906 1.00 0.41 H new ATOM 0 HB2 ALA A 28 11.670 -7.229 5.876 1.00 0.41 H new ATOM 0 HB3 ALA A 28 11.990 -8.200 4.419 1.00 0.41 H new ATOM 411 N LEU A 29 12.631 -5.012 2.398 1.00 0.28 N ATOM 412 CA LEU A 29 13.221 -4.741 1.095 1.00 0.28 C ATOM 413 C LEU A 29 14.495 -5.560 0.906 1.00 0.32 C ATOM 414 O LEU A 29 15.303 -5.687 1.827 1.00 0.36 O ATOM 415 CB LEU A 29 13.507 -3.241 0.948 1.00 0.35 C ATOM 416 CG LEU A 29 12.286 -2.351 0.641 1.00 0.38 C ATOM 417 CD1 LEU A 29 11.789 -2.612 -0.764 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.161 -2.578 1.639 1.00 1.04 C ATOM 0 H LEU A 29 12.819 -4.294 3.098 1.00 0.28 H new ATOM 0 HA LEU A 29 12.514 -5.034 0.319 1.00 0.28 H new ATOM 0 HB2 LEU A 29 13.968 -2.887 1.870 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.240 -3.107 0.152 1.00 0.35 H new ATOM 0 HG LEU A 29 12.605 -1.312 0.726 1.00 0.38 H new ATOM 0 HD11 LEU A 29 10.927 -1.978 -0.969 1.00 1.13 H new ATOM 0 HD12 LEU A 29 12.582 -2.388 -1.478 1.00 1.13 H new ATOM 0 HD13 LEU A 29 11.500 -3.659 -0.859 1.00 1.13 H new ATOM 0 HD21 LEU A 29 10.318 -1.933 1.390 1.00 1.04 H new ATOM 0 HD22 LEU A 29 10.845 -3.620 1.600 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.513 -2.343 2.644 1.00 1.04 H new ATOM 430 N PRO A 30 14.668 -6.146 -0.289 1.00 0.38 N ATOM 431 CA PRO A 30 15.789 -7.048 -0.598 1.00 0.53 C ATOM 432 C PRO A 30 17.157 -6.360 -0.615 1.00 0.76 C ATOM 433 O PRO A 30 18.161 -6.949 -0.204 1.00 1.64 O ATOM 434 CB PRO A 30 15.448 -7.573 -2.004 1.00 0.52 C ATOM 435 CG PRO A 30 14.005 -7.265 -2.201 1.00 0.51 C ATOM 436 CD PRO A 30 13.763 -6.000 -1.439 1.00 0.41 C ATOM 0 HA PRO A 30 15.885 -7.819 0.166 1.00 0.53 H new ATOM 0 HB2 PRO A 30 16.061 -7.088 -2.764 1.00 0.52 H new ATOM 0 HB3 PRO A 30 15.635 -8.644 -2.080 1.00 0.52 H new ATOM 0 HG2 PRO A 30 13.771 -7.138 -3.258 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.376 -8.074 -1.830 1.00 0.51 H new ATOM 0 HD2 PRO A 30 13.999 -5.117 -2.032 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.723 -5.906 -1.128 1.00 0.41 H new ATOM 483 N GLU A 34 14.539 -3.586 -5.417 1.00 0.54 N ATOM 484 CA GLU A 34 13.420 -3.155 -4.592 1.00 0.56 C ATOM 485 C GLU A 34 12.108 -3.222 -5.362 1.00 0.48 C ATOM 486 O GLU A 34 11.639 -2.228 -5.913 1.00 0.58 O ATOM 487 CB GLU A 34 13.672 -1.753 -4.035 1.00 0.72 C ATOM 488 CG GLU A 34 15.078 -1.575 -3.470 1.00 0.96 C ATOM 489 CD GLU A 34 15.482 -2.683 -2.509 1.00 1.55 C ATOM 490 OE1 GLU A 34 15.742 -3.819 -2.971 1.00 2.31 O ATOM 491 OE2 GLU A 34 15.565 -2.418 -1.294 1.00 1.97 O ATOM 0 HA GLU A 34 13.334 -3.841 -3.749 1.00 0.56 H new ATOM 0 HB2 GLU A 34 13.510 -1.020 -4.825 1.00 0.72 H new ATOM 0 HB3 GLU A 34 12.943 -1.544 -3.252 1.00 0.72 H new ATOM 0 HG2 GLU A 34 15.792 -1.539 -4.293 1.00 0.96 H new ATOM 0 HG3 GLU A 34 15.137 -0.616 -2.955 1.00 0.96 H new ATOM 498 N PRO A 35 11.506 -4.417 -5.419 1.00 0.41 N ATOM 499 CA PRO A 35 10.257 -4.642 -6.124 1.00 0.40 C ATOM 500 C PRO A 35 9.061 -4.456 -5.209 1.00 0.35 C ATOM 501 O PRO A 35 7.944 -4.853 -5.532 1.00 0.39 O ATOM 502 CB PRO A 35 10.381 -6.100 -6.551 1.00 0.48 C ATOM 503 CG PRO A 35 11.227 -6.750 -5.500 1.00 0.50 C ATOM 504 CD PRO A 35 11.994 -5.655 -4.793 1.00 0.46 C ATOM 0 HA PRO A 35 10.100 -3.948 -6.950 1.00 0.40 H new ATOM 0 HB2 PRO A 35 9.402 -6.575 -6.617 1.00 0.48 H new ATOM 0 HB3 PRO A 35 10.843 -6.184 -7.535 1.00 0.48 H new ATOM 0 HG2 PRO A 35 10.605 -7.300 -4.794 1.00 0.50 H new ATOM 0 HG3 PRO A 35 11.912 -7.469 -5.950 1.00 0.50 H new ATOM 0 HD2 PRO A 35 11.802 -5.662 -3.720 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.070 -5.772 -4.925 1.00 0.46 H new ATOM 512 N TRP A 36 9.308 -3.846 -4.061 1.00 0.30 N ATOM 513 CA TRP A 36 8.280 -3.667 -3.052 1.00 0.27 C ATOM 514 C TRP A 36 7.690 -2.272 -3.127 1.00 0.24 C ATOM 515 O TRP A 36 7.212 -1.729 -2.131 1.00 0.25 O ATOM 516 CB TRP A 36 8.850 -3.950 -1.659 1.00 0.28 C ATOM 517 CG TRP A 36 9.298 -5.377 -1.491 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.303 -5.823 -0.688 1.00 0.32 C ATOM 519 CD2 TRP A 36 8.765 -6.540 -2.154 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.424 -7.187 -0.796 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.495 -7.650 -1.689 1.00 0.34 C ATOM 522 CE3 TRP A 36 7.744 -6.754 -3.091 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.235 -8.947 -2.121 1.00 0.38 C ATOM 524 CZ3 TRP A 36 7.492 -8.042 -3.521 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.234 -9.124 -3.036 1.00 0.42 C ATOM 0 H TRP A 36 10.219 -3.465 -3.805 1.00 0.30 H new ATOM 0 HA TRP A 36 7.476 -4.378 -3.244 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.694 -3.285 -1.475 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.094 -3.721 -0.908 1.00 0.28 H new ATOM 0 HD1 TRP A 36 10.916 -5.196 -0.058 1.00 0.32 H new ATOM 0 HE1 TRP A 36 11.098 -7.763 -0.292 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.164 -5.925 -3.470 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 9.804 -9.785 -1.747 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 6.709 -8.217 -4.244 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.012 -10.119 -3.391 1.00 0.42 H new ATOM 536 N ASP A 37 7.720 -1.702 -4.325 1.00 0.24 N ATOM 537 CA ASP A 37 7.138 -0.393 -4.576 1.00 0.21 C ATOM 538 C ASP A 37 5.652 -0.420 -4.257 1.00 0.21 C ATOM 539 O ASP A 37 5.026 -1.482 -4.278 1.00 0.24 O ATOM 540 CB ASP A 37 7.327 0.011 -6.041 1.00 0.25 C ATOM 541 CG ASP A 37 8.649 -0.450 -6.621 1.00 0.82 C ATOM 542 OD1 ASP A 37 8.785 -1.664 -6.884 1.00 1.59 O ATOM 543 OD2 ASP A 37 9.545 0.391 -6.819 1.00 1.21 O ATOM 0 H ASP A 37 8.147 -2.133 -5.145 1.00 0.24 H new ATOM 0 HA ASP A 37 7.642 0.333 -3.938 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.513 -0.405 -6.634 1.00 0.25 H new ATOM 0 HB3 ASP A 37 7.260 1.096 -6.124 1.00 0.25 H new ATOM 548 N ILE A 38 5.086 0.748 -3.991 1.00 0.20 N ATOM 549 CA ILE A 38 3.675 0.856 -3.627 1.00 0.20 C ATOM 550 C ILE A 38 2.794 0.216 -4.704 1.00 0.20 C ATOM 551 O ILE A 38 1.810 -0.456 -4.403 1.00 0.23 O ATOM 552 CB ILE A 38 3.264 2.338 -3.417 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.332 3.074 -2.592 1.00 0.20 C ATOM 554 CG2 ILE A 38 1.909 2.430 -2.731 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.679 2.415 -1.272 1.00 0.24 C ATOM 0 H ILE A 38 5.582 1.639 -4.020 1.00 0.20 H new ATOM 0 HA ILE A 38 3.530 0.323 -2.687 1.00 0.20 H new ATOM 0 HB ILE A 38 3.185 2.814 -4.394 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.239 3.158 -3.190 1.00 0.20 H new ATOM 0 HG13 ILE A 38 3.985 4.088 -2.396 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.641 3.478 -2.594 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.155 1.940 -3.347 1.00 0.23 H new ATOM 0 HG23 ILE A 38 1.959 1.938 -1.760 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.440 3.004 -0.760 1.00 0.24 H new ATOM 0 HD12 ILE A 38 3.786 2.355 -0.649 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.061 1.411 -1.456 1.00 0.24 H new ATOM 567 N ARG A 39 3.189 0.408 -5.956 1.00 0.19 N ATOM 568 CA ARG A 39 2.501 -0.182 -7.101 1.00 0.20 C ATOM 569 C ARG A 39 2.500 -1.718 -7.044 1.00 0.19 C ATOM 570 O ARG A 39 1.467 -2.348 -7.257 1.00 0.25 O ATOM 571 CB ARG A 39 3.155 0.309 -8.399 1.00 0.31 C ATOM 572 CG ARG A 39 4.674 0.212 -8.387 1.00 0.99 C ATOM 573 CD ARG A 39 5.182 -0.921 -9.259 1.00 1.11 C ATOM 574 NE ARG A 39 5.204 -0.547 -10.671 1.00 1.63 N ATOM 575 CZ ARG A 39 5.606 -1.350 -11.658 1.00 2.06 C ATOM 576 NH1 ARG A 39 5.925 -2.617 -11.409 1.00 2.03 N ATOM 577 NH2 ARG A 39 5.654 -0.889 -12.900 1.00 2.62 N ATOM 0 H ARG A 39 3.996 0.978 -6.208 1.00 0.19 H new ATOM 0 HA ARG A 39 1.459 0.138 -7.072 1.00 0.20 H new ATOM 0 HB2 ARG A 39 2.768 -0.274 -9.235 1.00 0.31 H new ATOM 0 HB3 ARG A 39 2.866 1.346 -8.573 1.00 0.31 H new ATOM 0 HG2 ARG A 39 5.099 1.154 -8.733 1.00 0.99 H new ATOM 0 HG3 ARG A 39 5.019 0.064 -7.364 1.00 0.99 H new ATOM 0 HD2 ARG A 39 6.186 -1.203 -8.941 1.00 1.11 H new ATOM 0 HD3 ARG A 39 4.547 -1.797 -9.124 1.00 1.11 H new ATOM 0 HE ARG A 39 4.891 0.391 -10.919 1.00 1.63 H new ATOM 0 HH11 ARG A 39 5.863 -2.981 -10.458 1.00 2.03 H new ATOM 0 HH12 ARG A 39 6.231 -3.225 -12.169 1.00 2.03 H new ATOM 0 HH21 ARG A 39 5.384 0.075 -13.097 1.00 2.62 H new ATOM 0 HH22 ARG A 39 5.960 -1.498 -13.659 1.00 2.62 H new ATOM 591 N ASN A 40 3.655 -2.319 -6.750 1.00 0.17 N ATOM 592 CA ASN A 40 3.766 -3.777 -6.689 1.00 0.18 C ATOM 593 C ASN A 40 3.039 -4.330 -5.479 1.00 0.18 C ATOM 594 O ASN A 40 2.389 -5.373 -5.556 1.00 0.22 O ATOM 595 CB ASN A 40 5.232 -4.191 -6.655 1.00 0.22 C ATOM 596 CG ASN A 40 5.898 -4.040 -8.006 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.340 -4.415 -9.038 1.00 0.69 O ATOM 598 ND2 ASN A 40 7.059 -3.420 -8.020 1.00 0.59 N ATOM 0 H ASN A 40 4.523 -1.821 -6.551 1.00 0.17 H new ATOM 0 HA ASN A 40 3.299 -4.190 -7.583 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.762 -3.585 -5.920 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.308 -5.228 -6.328 1.00 0.22 H new ATOM 0 HD21 ASN A 40 7.528 -3.235 -8.907 1.00 0.59 H new ATOM 0 HD22 ASN A 40 7.490 -3.125 -7.144 1.00 0.59 H new ATOM 605 N LEU A 41 3.142 -3.623 -4.365 1.00 0.18 N ATOM 606 CA LEU A 41 2.444 -4.019 -3.151 1.00 0.19 C ATOM 607 C LEU A 41 0.948 -3.972 -3.357 1.00 0.19 C ATOM 608 O LEU A 41 0.217 -4.817 -2.851 1.00 0.21 O ATOM 609 CB LEU A 41 2.849 -3.126 -1.985 1.00 0.21 C ATOM 610 CG LEU A 41 3.966 -3.698 -1.123 1.00 0.26 C ATOM 611 CD1 LEU A 41 3.457 -4.905 -0.355 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.149 -4.099 -1.986 1.00 0.29 C ATOM 0 H LEU A 41 3.700 -2.774 -4.276 1.00 0.18 H new ATOM 0 HA LEU A 41 2.726 -5.045 -2.914 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.165 -2.158 -2.375 1.00 0.21 H new ATOM 0 HB3 LEU A 41 1.976 -2.947 -1.358 1.00 0.21 H new ATOM 0 HG LEU A 41 4.291 -2.932 -0.418 1.00 0.26 H new ATOM 0 HD11 LEU A 41 4.260 -5.310 0.260 1.00 0.32 H new ATOM 0 HD12 LEU A 41 2.626 -4.606 0.284 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.118 -5.667 -1.057 1.00 0.32 H new ATOM 0 HD21 LEU A 41 5.939 -4.506 -1.354 1.00 0.29 H new ATOM 0 HD22 LEU A 41 4.835 -4.855 -2.706 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.524 -3.225 -2.518 1.00 0.29 H new ATOM 624 N LEU A 42 0.504 -2.985 -4.113 1.00 0.19 N ATOM 625 CA LEU A 42 -0.893 -2.874 -4.480 1.00 0.23 C ATOM 626 C LEU A 42 -1.347 -4.119 -5.225 1.00 0.21 C ATOM 627 O LEU A 42 -2.437 -4.624 -4.989 1.00 0.26 O ATOM 628 CB LEU A 42 -1.097 -1.621 -5.331 1.00 0.30 C ATOM 629 CG LEU A 42 -2.488 -1.438 -5.940 1.00 0.47 C ATOM 630 CD1 LEU A 42 -2.785 0.034 -6.088 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.578 -2.118 -7.298 1.00 0.82 C ATOM 0 H LEU A 42 1.097 -2.244 -4.487 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.498 -2.788 -3.578 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -0.875 -0.749 -4.716 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.367 -1.634 -6.141 1.00 0.30 H new ATOM 0 HG LEU A 42 -3.221 -1.896 -5.276 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -3.776 0.163 -6.522 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -2.752 0.512 -5.109 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -2.041 0.492 -6.740 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.576 -1.974 -7.711 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -1.840 -1.683 -7.972 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -2.382 -3.184 -7.185 1.00 0.82 H new ATOM 643 N VAL A 43 -0.500 -4.612 -6.115 1.00 0.20 N ATOM 644 CA VAL A 43 -0.800 -5.821 -6.867 1.00 0.22 C ATOM 645 C VAL A 43 -0.892 -7.009 -5.928 1.00 0.22 C ATOM 646 O VAL A 43 -1.852 -7.782 -5.968 1.00 0.24 O ATOM 647 CB VAL A 43 0.279 -6.121 -7.920 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.090 -7.358 -8.716 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.489 -4.924 -8.833 1.00 0.32 C ATOM 0 H VAL A 43 0.403 -4.192 -6.335 1.00 0.20 H new ATOM 0 HA VAL A 43 -1.751 -5.656 -7.373 1.00 0.22 H new ATOM 0 HB VAL A 43 1.220 -6.316 -7.406 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.684 -7.558 -9.458 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.177 -8.211 -8.043 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -1.043 -7.195 -9.220 1.00 0.31 H new ATOM 0 HG21 VAL A 43 1.257 -5.159 -9.570 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.444 -4.688 -9.344 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.805 -4.066 -8.241 1.00 0.32 H new ATOM 659 N TRP A 44 0.122 -7.127 -5.083 1.00 0.23 N ATOM 660 CA TRP A 44 0.195 -8.182 -4.087 1.00 0.27 C ATOM 661 C TRP A 44 -1.065 -8.169 -3.226 1.00 0.28 C ATOM 662 O TRP A 44 -1.669 -9.209 -2.962 1.00 0.33 O ATOM 663 CB TRP A 44 1.438 -7.959 -3.215 1.00 0.31 C ATOM 664 CG TRP A 44 1.743 -9.073 -2.264 1.00 0.41 C ATOM 665 CD1 TRP A 44 1.173 -9.291 -1.044 1.00 0.45 C ATOM 666 CD2 TRP A 44 2.712 -10.108 -2.446 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.725 -10.402 -0.458 1.00 0.56 N ATOM 668 CE2 TRP A 44 2.671 -10.923 -1.300 1.00 0.61 C ATOM 669 CE3 TRP A 44 3.606 -10.427 -3.470 1.00 0.65 C ATOM 670 CZ2 TRP A 44 3.493 -12.036 -1.149 1.00 0.76 C ATOM 671 CZ3 TRP A 44 4.421 -11.532 -3.321 1.00 0.81 C ATOM 672 CH2 TRP A 44 4.359 -12.325 -2.168 1.00 0.85 C ATOM 0 H TRP A 44 0.919 -6.491 -5.070 1.00 0.23 H new ATOM 0 HA TRP A 44 0.268 -9.152 -4.579 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.299 -7.809 -3.866 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.305 -7.039 -2.645 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.400 -8.679 -0.604 1.00 0.45 H new ATOM 0 HE1 TRP A 44 1.472 -10.778 0.456 1.00 0.56 H new ATOM 0 HE3 TRP A 44 3.659 -9.821 -4.362 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 3.449 -12.649 -0.261 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 5.117 -11.789 -4.106 1.00 0.81 H new ATOM 0 HH2 TRP A 44 5.009 -13.183 -2.082 1.00 0.85 H new ATOM 683 N ILE A 45 -1.465 -6.972 -2.823 1.00 0.26 N ATOM 684 CA ILE A 45 -2.636 -6.793 -1.982 1.00 0.29 C ATOM 685 C ILE A 45 -3.924 -7.064 -2.759 1.00 0.31 C ATOM 686 O ILE A 45 -4.804 -7.781 -2.288 1.00 0.37 O ATOM 687 CB ILE A 45 -2.665 -5.366 -1.392 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.574 -5.214 -0.327 1.00 0.36 C ATOM 689 CG2 ILE A 45 -4.031 -5.051 -0.812 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.407 -3.799 0.188 1.00 0.47 C ATOM 0 H ILE A 45 -0.990 -6.104 -3.069 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.572 -7.514 -1.167 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.469 -4.654 -2.194 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.806 -5.870 0.512 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.625 -5.552 -0.743 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -4.028 -4.041 -0.402 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -4.785 -5.122 -1.596 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.263 -5.763 -0.020 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.616 -3.776 0.938 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.143 -3.140 -0.639 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.342 -3.462 0.636 1.00 0.47 H new ATOM 702 N LYS A 46 -4.020 -6.503 -3.950 1.00 0.29 N ATOM 703 CA LYS A 46 -5.227 -6.614 -4.755 1.00 0.35 C ATOM 704 C LYS A 46 -5.498 -8.068 -5.136 1.00 0.39 C ATOM 705 O LYS A 46 -6.549 -8.616 -4.814 1.00 0.44 O ATOM 706 CB LYS A 46 -5.084 -5.746 -6.012 1.00 0.39 C ATOM 707 CG LYS A 46 -6.384 -5.483 -6.760 1.00 0.91 C ATOM 708 CD LYS A 46 -6.133 -4.644 -8.006 1.00 0.91 C ATOM 709 CE LYS A 46 -7.414 -4.342 -8.774 1.00 1.26 C ATOM 710 NZ LYS A 46 -8.278 -3.345 -8.079 1.00 1.93 N ATOM 0 H LYS A 46 -3.273 -5.962 -4.385 1.00 0.29 H new ATOM 0 HA LYS A 46 -6.075 -6.261 -4.168 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -4.645 -4.790 -5.728 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -4.382 -6.229 -6.692 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.845 -6.430 -7.041 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -7.087 -4.968 -6.105 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -5.656 -3.707 -7.719 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -5.437 -5.169 -8.660 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -7.159 -3.968 -9.765 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -7.974 -5.266 -8.916 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -9.110 -3.137 -8.667 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -8.588 -3.732 -7.164 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -7.739 -2.470 -7.920 1.00 1.93 H new ATOM 724 N LYS A 47 -4.528 -8.704 -5.771 1.00 0.41 N ATOM 725 CA LYS A 47 -4.728 -10.045 -6.305 1.00 0.52 C ATOM 726 C LYS A 47 -4.725 -11.116 -5.214 1.00 0.57 C ATOM 727 O LYS A 47 -5.583 -12.002 -5.208 1.00 0.78 O ATOM 728 CB LYS A 47 -3.659 -10.374 -7.350 1.00 0.65 C ATOM 729 CG LYS A 47 -3.720 -9.494 -8.588 1.00 1.31 C ATOM 730 CD LYS A 47 -2.718 -9.950 -9.633 1.00 1.66 C ATOM 731 CE LYS A 47 -2.782 -9.090 -10.885 1.00 2.33 C ATOM 732 NZ LYS A 47 -1.789 -9.527 -11.903 1.00 2.96 N ATOM 0 H LYS A 47 -3.598 -8.318 -5.930 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.713 -10.051 -6.772 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -2.675 -10.274 -6.893 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -3.767 -11.416 -7.651 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -4.726 -9.521 -9.008 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -3.517 -8.459 -8.313 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -1.712 -9.910 -9.215 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -2.913 -10.990 -9.895 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -3.785 -9.139 -11.310 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -2.599 -8.048 -10.621 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -1.862 -8.918 -12.743 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 -0.830 -9.456 -11.506 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -1.980 -10.513 -12.173 1.00 2.96 H new ATOM 746 N ASN A 48 -3.772 -11.037 -4.295 1.00 0.50 N ATOM 747 CA ASN A 48 -3.556 -12.121 -3.339 1.00 0.58 C ATOM 748 C ASN A 48 -4.317 -11.921 -2.037 1.00 0.58 C ATOM 749 O ASN A 48 -4.654 -12.895 -1.363 1.00 0.77 O ATOM 750 CB ASN A 48 -2.061 -12.285 -3.031 1.00 0.61 C ATOM 751 CG ASN A 48 -1.285 -12.907 -4.175 1.00 1.41 C ATOM 752 OD1 ASN A 48 -1.648 -12.769 -5.344 1.00 2.21 O ATOM 753 ND2 ASN A 48 -0.206 -13.599 -3.847 1.00 2.09 N ATOM 0 H ASN A 48 -3.140 -10.243 -4.189 1.00 0.50 H new ATOM 0 HA ASN A 48 -3.940 -13.024 -3.813 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -1.635 -11.309 -2.798 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -1.945 -12.904 -2.141 1.00 0.61 H new ATOM 0 HD21 ASN A 48 0.357 -14.041 -4.574 1.00 2.09 H new ATOM 0 HD22 ASN A 48 0.063 -13.691 -2.867 1.00 2.09 H new ATOM 760 N LEU A 49 -4.592 -10.678 -1.673 1.00 0.42 N ATOM 761 CA LEU A 49 -5.148 -10.406 -0.355 1.00 0.44 C ATOM 762 C LEU A 49 -6.649 -10.100 -0.403 1.00 0.39 C ATOM 763 O LEU A 49 -7.373 -10.445 0.534 1.00 0.39 O ATOM 764 CB LEU A 49 -4.386 -9.256 0.313 1.00 0.50 C ATOM 765 CG LEU A 49 -4.670 -9.068 1.806 1.00 0.57 C ATOM 766 CD1 LEU A 49 -4.279 -10.314 2.583 1.00 1.32 C ATOM 767 CD2 LEU A 49 -3.931 -7.851 2.343 1.00 1.10 C ATOM 0 H LEU A 49 -4.443 -9.856 -2.258 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.029 -11.312 0.239 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -3.317 -9.424 0.181 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -4.630 -8.329 -0.207 1.00 0.50 H new ATOM 0 HG LEU A 49 -5.740 -8.903 1.934 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -4.488 -10.163 3.642 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -4.853 -11.166 2.218 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -3.215 -10.509 2.447 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -4.146 -7.734 3.405 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -2.859 -7.985 2.202 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.259 -6.960 1.807 1.00 1.10 H new ATOM 779 N LEU A 50 -7.119 -9.474 -1.486 1.00 0.39 N ATOM 780 CA LEU A 50 -8.527 -9.082 -1.593 1.00 0.39 C ATOM 781 C LEU A 50 -9.446 -10.293 -1.427 1.00 0.41 C ATOM 782 O LEU A 50 -9.300 -11.299 -2.121 1.00 0.50 O ATOM 783 CB LEU A 50 -8.801 -8.418 -2.946 1.00 0.47 C ATOM 784 CG LEU A 50 -9.678 -7.157 -2.916 1.00 0.44 C ATOM 785 CD1 LEU A 50 -10.950 -7.381 -2.120 1.00 0.51 C ATOM 786 CD2 LEU A 50 -8.903 -5.986 -2.350 1.00 0.62 C ATOM 0 H LEU A 50 -6.549 -9.229 -2.296 1.00 0.39 H new ATOM 0 HA LEU A 50 -8.733 -8.369 -0.794 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.845 -8.160 -3.401 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -9.277 -9.151 -3.598 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.963 -6.929 -3.943 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.545 -6.468 -2.121 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.525 -8.189 -2.572 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -10.695 -7.647 -1.094 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -9.539 -5.101 -2.336 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -8.583 -6.219 -1.334 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -8.028 -5.794 -2.971 1.00 0.62 H new ATOM 798 N LYS A 51 -10.382 -10.191 -0.490 1.00 0.40 N ATOM 799 CA LYS A 51 -11.360 -11.247 -0.256 1.00 0.47 C ATOM 800 C LYS A 51 -12.576 -11.053 -1.155 1.00 0.52 C ATOM 801 O LYS A 51 -13.040 -11.987 -1.816 1.00 0.63 O ATOM 802 CB LYS A 51 -11.801 -11.236 1.207 1.00 0.52 C ATOM 803 CG LYS A 51 -10.681 -11.528 2.186 1.00 0.57 C ATOM 804 CD LYS A 51 -10.372 -13.010 2.263 1.00 1.08 C ATOM 805 CE LYS A 51 -9.299 -13.294 3.299 1.00 1.81 C ATOM 806 NZ LYS A 51 -9.247 -14.734 3.666 1.00 2.26 N ATOM 0 H LYS A 51 -10.484 -9.382 0.123 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.896 -12.206 -0.487 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -12.230 -10.261 1.440 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.592 -11.973 1.344 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -9.785 -10.985 1.885 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -10.958 -11.163 3.175 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -11.279 -13.561 2.514 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -10.043 -13.367 1.287 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -8.329 -12.983 2.911 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -9.490 -12.699 4.192 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -8.502 -14.885 4.375 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -10.164 -15.025 4.060 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -9.039 -15.301 2.819 1.00 2.26 H new ATOM 820 N GLU A 52 -13.085 -9.829 -1.168 1.00 0.52 N ATOM 821 CA GLU A 52 -14.263 -9.489 -1.951 1.00 0.59 C ATOM 822 C GLU A 52 -13.862 -8.949 -3.324 1.00 0.58 C ATOM 823 O GLU A 52 -12.784 -9.263 -3.822 1.00 0.72 O ATOM 824 CB GLU A 52 -15.115 -8.474 -1.184 1.00 0.66 C ATOM 825 CG GLU A 52 -14.339 -7.270 -0.667 1.00 0.64 C ATOM 826 CD GLU A 52 -15.186 -6.389 0.225 1.00 0.90 C ATOM 827 OE1 GLU A 52 -16.095 -5.709 -0.296 1.00 1.15 O ATOM 828 OE2 GLU A 52 -14.966 -6.384 1.452 1.00 1.16 O ATOM 0 H GLU A 52 -12.695 -9.049 -0.639 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.856 -10.389 -2.113 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -15.916 -8.123 -1.835 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.587 -8.977 -0.340 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.465 -7.613 -0.113 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -13.972 -6.686 -1.511 1.00 0.64 H new ATOM 835 N ARG A 53 -14.735 -8.160 -3.938 1.00 0.65 N ATOM 836 CA ARG A 53 -14.466 -7.605 -5.258 1.00 0.68 C ATOM 837 C ARG A 53 -13.479 -6.447 -5.184 1.00 0.59 C ATOM 838 O ARG A 53 -13.768 -5.407 -4.586 1.00 0.65 O ATOM 839 CB ARG A 53 -15.761 -7.131 -5.922 1.00 0.87 C ATOM 840 CG ARG A 53 -16.722 -8.249 -6.303 1.00 1.34 C ATOM 841 CD ARG A 53 -16.129 -9.181 -7.352 1.00 1.78 C ATOM 842 NE ARG A 53 -15.119 -10.082 -6.797 1.00 2.46 N ATOM 843 CZ ARG A 53 -13.983 -10.405 -7.416 1.00 3.32 C ATOM 844 NH1 ARG A 53 -13.647 -9.820 -8.559 1.00 3.80 N ATOM 845 NH2 ARG A 53 -13.162 -11.287 -6.869 1.00 4.10 N ATOM 0 H ARG A 53 -15.636 -7.890 -3.543 1.00 0.65 H new ATOM 0 HA ARG A 53 -14.024 -8.400 -5.859 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -16.271 -6.445 -5.245 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -15.508 -6.565 -6.819 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -16.981 -8.823 -5.413 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -17.647 -7.817 -6.684 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -16.928 -9.770 -7.803 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -15.682 -8.587 -8.149 1.00 1.78 H new ATOM 0 HE ARG A 53 -15.295 -10.489 -5.878 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -14.260 -9.117 -8.971 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -12.776 -10.074 -9.025 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -13.399 -11.718 -5.976 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -12.293 -11.535 -7.341 1.00 4.10 H new ATOM 859 N PRO A 54 -12.297 -6.615 -5.800 1.00 0.55 N ATOM 860 CA PRO A 54 -11.286 -5.561 -5.897 1.00 0.53 C ATOM 861 C PRO A 54 -11.717 -4.437 -6.834 1.00 0.57 C ATOM 862 O PRO A 54 -11.048 -3.408 -6.931 1.00 0.59 O ATOM 863 CB PRO A 54 -10.057 -6.274 -6.472 1.00 0.61 C ATOM 864 CG PRO A 54 -10.348 -7.732 -6.366 1.00 0.68 C ATOM 865 CD PRO A 54 -11.840 -7.859 -6.433 1.00 0.65 C ATOM 0 HA PRO A 54 -11.106 -5.091 -4.930 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -9.886 -5.984 -7.509 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.157 -6.013 -5.915 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -9.872 -8.285 -7.176 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -9.963 -8.140 -5.432 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.194 -7.944 -7.460 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -12.196 -8.740 -5.899 1.00 0.65 H new ATOM 873 N GLU A 55 -12.821 -4.659 -7.537 1.00 0.64 N ATOM 874 CA GLU A 55 -13.411 -3.647 -8.405 1.00 0.75 C ATOM 875 C GLU A 55 -13.904 -2.452 -7.592 1.00 0.69 C ATOM 876 O GLU A 55 -13.891 -1.321 -8.069 1.00 0.80 O ATOM 877 CB GLU A 55 -14.572 -4.239 -9.215 1.00 0.92 C ATOM 878 CG GLU A 55 -14.152 -5.270 -10.259 1.00 1.39 C ATOM 879 CD GLU A 55 -13.802 -6.624 -9.671 1.00 1.89 C ATOM 880 OE1 GLU A 55 -12.626 -6.842 -9.312 1.00 2.27 O ATOM 881 OE2 GLU A 55 -14.704 -7.473 -9.549 1.00 2.43 O ATOM 0 H GLU A 55 -13.331 -5.542 -7.522 1.00 0.64 H new ATOM 0 HA GLU A 55 -12.637 -3.306 -9.093 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -15.279 -4.703 -8.527 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -15.100 -3.428 -9.716 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -14.960 -5.394 -10.980 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -13.291 -4.888 -10.808 1.00 1.39 H new ATOM 888 N LEU A 56 -14.337 -2.710 -6.364 1.00 0.64 N ATOM 889 CA LEU A 56 -14.780 -1.643 -5.469 1.00 0.68 C ATOM 890 C LEU A 56 -13.605 -1.125 -4.651 1.00 0.59 C ATOM 891 O LEU A 56 -13.725 -0.180 -3.870 1.00 0.69 O ATOM 892 CB LEU A 56 -15.884 -2.152 -4.544 1.00 0.81 C ATOM 893 CG LEU A 56 -17.141 -2.651 -5.256 1.00 1.09 C ATOM 894 CD1 LEU A 56 -18.177 -3.104 -4.242 1.00 1.86 C ATOM 895 CD2 LEU A 56 -17.708 -1.565 -6.156 1.00 2.05 C ATOM 0 H LEU A 56 -14.392 -3.647 -5.964 1.00 0.64 H new ATOM 0 HA LEU A 56 -15.178 -0.825 -6.069 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -15.483 -2.962 -3.935 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -16.165 -1.350 -3.862 1.00 0.81 H new ATOM 0 HG LEU A 56 -16.873 -3.505 -5.879 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -19.067 -3.457 -4.764 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -17.766 -3.913 -3.638 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -18.443 -2.268 -3.595 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -18.603 -1.937 -6.655 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -17.964 -0.692 -5.556 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -16.965 -1.287 -6.903 1.00 2.05 H new ATOM 907 N PHE A 57 -12.467 -1.755 -4.856 1.00 0.47 N ATOM 908 CA PHE A 57 -11.242 -1.402 -4.175 1.00 0.41 C ATOM 909 C PHE A 57 -10.463 -0.405 -5.048 1.00 0.37 C ATOM 910 O PHE A 57 -11.021 0.172 -5.979 1.00 0.37 O ATOM 911 CB PHE A 57 -10.461 -2.693 -3.863 1.00 0.38 C ATOM 912 CG PHE A 57 -9.184 -2.516 -3.079 1.00 0.35 C ATOM 913 CD1 PHE A 57 -9.194 -1.826 -1.878 1.00 0.35 C ATOM 914 CD2 PHE A 57 -7.978 -3.018 -3.547 1.00 0.37 C ATOM 915 CE1 PHE A 57 -8.031 -1.641 -1.156 1.00 0.36 C ATOM 916 CE2 PHE A 57 -6.811 -2.835 -2.830 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.825 -2.233 -1.634 1.00 0.35 C ATOM 0 H PHE A 57 -12.367 -2.534 -5.507 1.00 0.47 H new ATOM 0 HA PHE A 57 -11.431 -0.908 -3.222 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -11.115 -3.366 -3.308 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.221 -3.186 -4.805 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -10.124 -1.427 -1.501 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -7.951 -3.558 -4.482 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -8.035 -1.059 -0.246 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -5.874 -3.182 -3.240 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.927 -2.196 -1.034 1.00 0.35 H new ATOM 927 N ILE A 58 -9.197 -0.192 -4.747 1.00 0.36 N ATOM 928 CA ILE A 58 -8.425 0.878 -5.361 1.00 0.36 C ATOM 929 C ILE A 58 -7.931 0.526 -6.762 1.00 0.30 C ATOM 930 O ILE A 58 -7.912 -0.643 -7.164 1.00 0.30 O ATOM 931 CB ILE A 58 -7.209 1.240 -4.491 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.266 0.045 -4.394 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.660 1.683 -3.113 1.00 0.97 C ATOM 934 CD1 ILE A 58 -5.054 0.284 -3.521 1.00 0.90 C ATOM 0 H ILE A 58 -8.674 -0.751 -4.073 1.00 0.36 H new ATOM 0 HA ILE A 58 -9.103 1.727 -5.442 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.674 2.068 -4.955 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -6.819 -0.810 -4.004 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.931 -0.223 -5.396 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.789 1.936 -2.509 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -8.304 2.557 -3.205 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -8.212 0.875 -2.633 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.435 -0.613 -3.505 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.476 1.117 -3.921 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.377 0.521 -2.507 1.00 0.90 H new ATOM 946 N GLN A 59 -7.531 1.571 -7.481 1.00 0.31 N ATOM 947 CA GLN A 59 -7.028 1.459 -8.843 1.00 0.30 C ATOM 948 C GLN A 59 -5.776 0.597 -8.863 1.00 0.27 C ATOM 949 O GLN A 59 -5.022 0.589 -7.896 1.00 0.29 O ATOM 950 CB GLN A 59 -6.676 2.855 -9.372 1.00 0.39 C ATOM 951 CG GLN A 59 -5.522 3.506 -8.613 1.00 0.56 C ATOM 952 CD GLN A 59 -5.130 4.866 -9.158 1.00 0.60 C ATOM 953 OE1 GLN A 59 -5.956 5.586 -9.710 1.00 1.35 O ATOM 954 NE2 GLN A 59 -3.864 5.237 -8.988 1.00 0.58 N ATOM 0 H GLN A 59 -7.548 2.528 -7.129 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.795 1.004 -9.469 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.414 2.782 -10.428 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.555 3.496 -9.305 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -5.800 3.610 -7.564 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -4.656 2.846 -8.649 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -3.207 4.610 -8.524 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -3.550 6.148 -9.322 1.00 0.58 H new ATOM 963 N GLY A 60 -5.570 -0.143 -9.944 1.00 0.32 N ATOM 964 CA GLY A 60 -4.402 -1.005 -10.054 1.00 0.38 C ATOM 965 C GLY A 60 -3.112 -0.229 -10.286 1.00 0.37 C ATOM 966 O GLY A 60 -2.299 -0.598 -11.134 1.00 0.55 O ATOM 0 H GLY A 60 -6.192 -0.164 -10.752 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.306 -1.596 -9.143 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.551 -1.707 -10.875 1.00 0.38 H new ATOM 970 N ASP A 61 -2.925 0.838 -9.518 1.00 0.40 N ATOM 971 CA ASP A 61 -1.763 1.707 -9.655 1.00 0.46 C ATOM 972 C ASP A 61 -1.295 2.177 -8.286 1.00 0.44 C ATOM 973 O ASP A 61 -0.192 1.860 -7.858 1.00 0.54 O ATOM 974 CB ASP A 61 -2.085 2.931 -10.523 1.00 0.55 C ATOM 975 CG ASP A 61 -2.386 2.580 -11.964 1.00 0.81 C ATOM 976 OD1 ASP A 61 -1.434 2.460 -12.763 1.00 1.06 O ATOM 977 OD2 ASP A 61 -3.578 2.435 -12.311 1.00 0.96 O ATOM 0 H ASP A 61 -3.573 1.124 -8.784 1.00 0.40 H new ATOM 0 HA ASP A 61 -0.974 1.131 -10.138 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.941 3.455 -10.097 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -1.242 3.621 -10.493 1.00 0.55 H new ATOM 982 N SER A 62 -2.166 2.906 -7.590 1.00 0.40 N ATOM 983 CA SER A 62 -1.814 3.513 -6.310 1.00 0.46 C ATOM 984 C SER A 62 -2.985 3.393 -5.328 1.00 0.47 C ATOM 985 O SER A 62 -2.954 2.572 -4.418 1.00 0.70 O ATOM 986 CB SER A 62 -1.416 4.984 -6.524 1.00 0.53 C ATOM 987 OG SER A 62 -0.896 5.575 -5.349 1.00 0.80 O ATOM 0 H SER A 62 -3.122 3.090 -7.893 1.00 0.40 H new ATOM 0 HA SER A 62 -0.962 2.986 -5.881 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.672 5.045 -7.319 1.00 0.53 H new ATOM 0 HB3 SER A 62 -2.286 5.549 -6.858 1.00 0.53 H new ATOM 0 HG SER A 62 -1.298 6.459 -5.222 1.00 0.80 H new ATOM 993 N VAL A 63 -4.015 4.209 -5.530 1.00 0.38 N ATOM 994 CA VAL A 63 -5.257 4.136 -4.748 1.00 0.37 C ATOM 995 C VAL A 63 -6.367 4.884 -5.458 1.00 0.40 C ATOM 996 O VAL A 63 -6.108 5.810 -6.226 1.00 0.52 O ATOM 997 CB VAL A 63 -5.134 4.725 -3.321 1.00 0.53 C ATOM 998 CG1 VAL A 63 -4.820 3.641 -2.303 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.097 5.833 -3.271 1.00 0.78 C ATOM 0 H VAL A 63 -4.018 4.942 -6.239 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.478 3.073 -4.657 1.00 0.37 H new ATOM 0 HB VAL A 63 -6.099 5.159 -3.060 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -4.740 4.086 -1.311 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -5.618 2.898 -2.304 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -3.877 3.160 -2.563 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.034 6.226 -2.256 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -3.126 5.436 -3.568 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -4.386 6.633 -3.953 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.600 4.465 -5.215 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.759 5.209 -5.679 1.00 0.40 C ATOM 1011 C ARG A 64 -8.942 6.411 -4.758 1.00 0.40 C ATOM 1012 O ARG A 64 -8.517 6.354 -3.610 1.00 0.40 O ATOM 1013 CB ARG A 64 -10.017 4.324 -5.664 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.434 3.864 -4.272 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.749 3.092 -4.296 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.865 3.908 -4.782 1.00 1.05 N ATOM 1017 CZ ARG A 64 -14.152 3.626 -4.565 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -14.497 2.509 -3.938 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -15.098 4.450 -5.006 1.00 2.05 N ATOM 0 H ARG A 64 -7.823 3.614 -4.699 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.604 5.539 -6.706 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -10.842 4.875 -6.116 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -9.840 3.448 -6.287 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.651 3.234 -3.849 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.534 4.731 -3.619 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -11.640 2.214 -4.932 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -11.975 2.733 -3.292 1.00 0.45 H new ATOM 0 HE ARG A 64 -12.644 4.745 -5.321 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -13.778 1.860 -3.619 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -15.482 2.299 -3.775 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -14.841 5.298 -5.511 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -16.081 4.234 -4.840 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.557 7.507 -5.233 1.00 0.49 N ATOM 1034 CA PRO A 65 -9.799 8.703 -4.410 1.00 0.53 C ATOM 1035 C PRO A 65 -10.460 8.374 -3.072 1.00 0.44 C ATOM 1036 O PRO A 65 -10.346 9.127 -2.102 1.00 0.51 O ATOM 1037 CB PRO A 65 -10.749 9.545 -5.258 1.00 0.65 C ATOM 1038 CG PRO A 65 -10.543 9.094 -6.662 1.00 0.72 C ATOM 1039 CD PRO A 65 -10.039 7.676 -6.613 1.00 0.61 C ATOM 0 HA PRO A 65 -8.864 9.203 -4.159 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -11.784 9.400 -4.948 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -10.531 10.608 -5.152 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -11.476 9.150 -7.223 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -9.826 9.738 -7.170 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -10.831 6.964 -6.847 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -9.240 7.513 -7.336 1.00 0.61 H new ATOM 1047 N GLY A 66 -11.156 7.243 -3.039 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.806 6.790 -1.831 1.00 0.32 C ATOM 1049 C GLY A 66 -10.826 6.377 -0.743 1.00 0.25 C ATOM 1050 O GLY A 66 -11.071 6.611 0.440 1.00 0.27 O ATOM 0 H GLY A 66 -11.280 6.626 -3.842 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.447 7.585 -1.451 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.453 5.945 -2.069 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.728 5.737 -1.133 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.712 5.327 -0.175 1.00 0.23 C ATOM 1056 C ILE A 67 -7.441 6.158 -0.317 1.00 0.24 C ATOM 1057 O ILE A 67 -6.886 6.290 -1.402 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.383 3.834 -0.339 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.686 3.030 -0.302 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.425 3.368 0.748 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.492 1.534 -0.212 1.00 0.34 C ATOM 0 H ILE A 67 -9.521 5.493 -2.102 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.118 5.495 0.823 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.889 3.675 -1.298 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.278 3.360 0.552 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.264 3.256 -1.198 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -7.207 2.309 0.611 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.499 3.940 0.687 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.882 3.521 1.726 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.464 1.042 -0.191 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.929 1.187 -1.078 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.943 1.292 0.698 1.00 0.34 H new ATOM 1073 N LEU A 68 -6.994 6.712 0.794 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.797 7.538 0.823 1.00 0.29 C ATOM 1075 C LEU A 68 -4.610 6.717 1.312 1.00 0.28 C ATOM 1076 O LEU A 68 -4.787 5.739 2.034 1.00 0.41 O ATOM 1077 CB LEU A 68 -6.015 8.737 1.750 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.296 9.535 1.489 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.455 10.641 2.516 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.295 10.107 0.081 1.00 0.44 C ATOM 0 H LEU A 68 -7.448 6.604 1.701 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.590 7.898 -0.185 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -6.030 8.382 2.780 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.162 9.409 1.657 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.145 8.858 1.581 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.371 11.197 2.314 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.508 10.206 3.514 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.601 11.316 2.459 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.214 10.670 -0.084 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.437 10.768 -0.043 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.233 9.294 -0.642 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.405 7.107 0.924 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.211 6.388 1.345 1.00 0.27 C ATOM 1094 C VAL A 69 -1.206 7.318 1.997 1.00 0.19 C ATOM 1095 O VAL A 69 -0.836 8.348 1.438 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.523 5.666 0.163 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -0.148 5.142 0.557 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.382 4.526 -0.332 1.00 0.81 C ATOM 0 H VAL A 69 -3.228 7.912 0.323 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.545 5.645 2.069 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.395 6.394 -0.638 1.00 0.44 H new ATOM 0 HG11 VAL A 69 0.308 4.640 -0.296 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.483 5.974 0.868 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.250 4.436 1.381 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.883 4.029 -1.164 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.539 3.812 0.476 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.344 4.914 -0.666 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.770 6.957 3.183 1.00 0.18 N ATOM 1109 CA LEU A 70 0.353 7.630 3.793 1.00 0.16 C ATOM 1110 C LEU A 70 1.631 6.913 3.402 1.00 0.15 C ATOM 1111 O LEU A 70 1.795 5.731 3.690 1.00 0.19 O ATOM 1112 CB LEU A 70 0.238 7.663 5.319 1.00 0.22 C ATOM 1113 CG LEU A 70 -0.862 8.559 5.889 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -0.763 8.605 7.408 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -0.769 9.961 5.304 1.00 0.90 C ATOM 0 H LEU A 70 -1.174 6.205 3.741 1.00 0.18 H new ATOM 0 HA LEU A 70 0.364 8.660 3.437 1.00 0.16 H new ATOM 0 HB2 LEU A 70 0.070 6.646 5.673 1.00 0.22 H new ATOM 0 HB3 LEU A 70 1.194 7.990 5.729 1.00 0.22 H new ATOM 0 HG LEU A 70 -1.830 8.141 5.614 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -1.551 9.246 7.805 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -0.877 7.599 7.811 1.00 0.95 H new ATOM 0 HD13 LEU A 70 0.209 9.004 7.697 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -1.560 10.583 5.722 1.00 0.90 H new ATOM 0 HD22 LEU A 70 0.201 10.394 5.549 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -0.881 9.911 4.221 1.00 0.90 H new ATOM 1127 N ILE A 71 2.507 7.607 2.706 1.00 0.14 N ATOM 1128 CA ILE A 71 3.838 7.086 2.467 1.00 0.17 C ATOM 1129 C ILE A 71 4.699 7.476 3.650 1.00 0.20 C ATOM 1130 O ILE A 71 4.968 8.655 3.848 1.00 0.24 O ATOM 1131 CB ILE A 71 4.469 7.619 1.166 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.592 7.284 -0.043 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.866 7.039 0.984 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.529 5.812 -0.381 1.00 0.20 C ATOM 0 H ILE A 71 2.325 8.524 2.299 1.00 0.14 H new ATOM 0 HA ILE A 71 3.771 6.004 2.352 1.00 0.17 H new ATOM 0 HB ILE A 71 4.544 8.704 1.241 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.581 7.644 0.146 1.00 0.18 H new ATOM 0 HG13 ILE A 71 3.967 7.828 -0.910 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.302 7.423 0.062 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.492 7.327 1.828 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.805 5.952 0.932 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.887 5.665 -1.249 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.531 5.447 -0.605 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.124 5.261 0.468 1.00 0.20 H new ATOM 1146 N ASN A 72 5.030 6.472 4.457 1.00 0.22 N ATOM 1147 CA ASN A 72 5.744 6.602 5.737 1.00 0.28 C ATOM 1148 C ASN A 72 4.913 7.342 6.772 1.00 0.27 C ATOM 1149 O ASN A 72 4.798 6.867 7.902 1.00 0.31 O ATOM 1150 CB ASN A 72 7.189 7.155 5.642 1.00 0.41 C ATOM 1151 CG ASN A 72 7.324 8.628 5.316 1.00 1.04 C ATOM 1152 OD1 ASN A 72 7.160 9.492 6.178 1.00 1.94 O ATOM 1153 ND2 ASN A 72 7.685 8.911 4.080 1.00 1.33 N ATOM 0 H ASN A 72 4.802 5.503 4.234 1.00 0.22 H new ATOM 0 HA ASN A 72 5.880 5.575 6.077 1.00 0.28 H new ATOM 0 HB2 ASN A 72 7.690 6.967 6.592 1.00 0.41 H new ATOM 0 HB3 ASN A 72 7.724 6.586 4.882 1.00 0.41 H new ATOM 0 HD21 ASN A 72 7.841 9.880 3.803 1.00 1.33 H new ATOM 0 HD22 ASN A 72 7.809 8.161 3.400 1.00 1.33 H new ATOM 1160 N ASP A 73 4.327 8.467 6.373 1.00 0.26 N ATOM 1161 CA ASP A 73 3.400 9.233 7.211 1.00 0.29 C ATOM 1162 C ASP A 73 2.994 10.520 6.487 1.00 0.28 C ATOM 1163 O ASP A 73 2.592 11.503 7.108 1.00 0.36 O ATOM 1164 CB ASP A 73 4.049 9.566 8.563 1.00 0.36 C ATOM 1165 CG ASP A 73 3.061 10.057 9.605 1.00 0.62 C ATOM 1166 OD1 ASP A 73 2.240 9.245 10.084 1.00 1.03 O ATOM 1167 OD2 ASP A 73 3.071 11.268 9.919 1.00 0.65 O ATOM 0 H ASP A 73 4.481 8.879 5.453 1.00 0.26 H new ATOM 0 HA ASP A 73 2.510 8.631 7.396 1.00 0.29 H new ATOM 0 HB2 ASP A 73 4.554 8.678 8.943 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.814 10.328 8.412 1.00 0.36 H new ATOM 1172 N ALA A 74 3.079 10.511 5.157 1.00 0.27 N ATOM 1173 CA ALA A 74 2.846 11.730 4.384 1.00 0.29 C ATOM 1174 C ALA A 74 1.995 11.479 3.140 1.00 0.25 C ATOM 1175 O ALA A 74 1.766 10.330 2.751 1.00 0.20 O ATOM 1176 CB ALA A 74 4.174 12.366 4.002 1.00 0.33 C ATOM 0 H ALA A 74 3.304 9.687 4.600 1.00 0.27 H new ATOM 0 HA ALA A 74 2.284 12.416 5.018 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.991 13.273 3.426 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.731 12.615 4.905 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.753 11.666 3.400 1.00 0.33 H new ATOM 1182 N ASP A 75 1.538 12.575 2.524 1.00 0.30 N ATOM 1183 CA ASP A 75 0.669 12.531 1.339 1.00 0.29 C ATOM 1184 C ASP A 75 1.360 11.872 0.154 1.00 0.23 C ATOM 1185 O ASP A 75 2.157 12.500 -0.537 1.00 0.24 O ATOM 1186 CB ASP A 75 0.242 13.945 0.933 1.00 0.36 C ATOM 1187 CG ASP A 75 -0.843 14.522 1.819 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -0.559 14.802 3.002 1.00 0.62 O ATOM 1189 OD2 ASP A 75 -1.988 14.678 1.346 1.00 0.61 O ATOM 0 H ASP A 75 1.760 13.521 2.833 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.205 11.938 1.610 1.00 0.29 H new ATOM 0 HB2 ASP A 75 1.112 14.602 0.961 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.111 13.928 -0.098 1.00 0.36 H new ATOM 1194 N TRP A 76 1.010 10.617 -0.085 1.00 0.21 N ATOM 1195 CA TRP A 76 1.610 9.803 -1.140 1.00 0.17 C ATOM 1196 C TRP A 76 1.668 10.517 -2.490 1.00 0.16 C ATOM 1197 O TRP A 76 2.694 10.478 -3.167 1.00 0.14 O ATOM 1198 CB TRP A 76 0.816 8.491 -1.283 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.550 8.633 -1.928 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -0.962 8.008 -3.067 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.665 9.448 -1.503 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.242 8.378 -3.380 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.698 9.255 -2.438 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -1.894 10.319 -0.431 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -3.931 9.893 -2.335 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.118 10.950 -0.331 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.122 10.737 -1.278 1.00 0.34 C ATOM 0 H TRP A 76 0.294 10.127 0.452 1.00 0.21 H new ATOM 0 HA TRP A 76 2.640 9.603 -0.845 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.407 7.789 -1.871 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.690 8.051 -0.294 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.363 7.318 -3.642 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -2.771 8.051 -4.188 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.125 10.495 0.307 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.709 9.727 -3.065 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.302 11.621 0.495 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.067 11.249 -1.173 1.00 0.34 H new ATOM 1218 N GLU A 77 0.580 11.173 -2.866 1.00 0.19 N ATOM 1219 CA GLU A 77 0.454 11.765 -4.192 1.00 0.21 C ATOM 1220 C GLU A 77 1.502 12.859 -4.419 1.00 0.21 C ATOM 1221 O GLU A 77 1.898 13.130 -5.552 1.00 0.27 O ATOM 1222 CB GLU A 77 -0.954 12.341 -4.379 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.419 13.192 -3.205 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.749 13.875 -3.450 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -3.665 13.230 -4.003 1.00 0.74 O ATOM 1226 OE2 GLU A 77 -2.883 15.065 -3.095 1.00 0.82 O ATOM 0 H GLU A 77 -0.234 11.310 -2.267 1.00 0.19 H new ATOM 0 HA GLU A 77 0.624 10.979 -4.927 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -0.974 12.945 -5.286 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.658 11.521 -4.526 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.499 12.563 -2.318 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.664 13.948 -2.992 1.00 0.49 H new ATOM 1233 N LEU A 78 1.952 13.476 -3.335 1.00 0.24 N ATOM 1234 CA LEU A 78 2.971 14.514 -3.412 1.00 0.29 C ATOM 1235 C LEU A 78 4.360 13.891 -3.415 1.00 0.25 C ATOM 1236 O LEU A 78 5.335 14.503 -3.854 1.00 0.35 O ATOM 1237 CB LEU A 78 2.847 15.467 -2.217 1.00 0.47 C ATOM 1238 CG LEU A 78 1.526 16.229 -2.112 1.00 0.55 C ATOM 1239 CD1 LEU A 78 1.470 17.014 -0.812 1.00 1.12 C ATOM 1240 CD2 LEU A 78 1.361 17.165 -3.297 1.00 1.00 C ATOM 0 H LEU A 78 1.626 13.275 -2.389 1.00 0.24 H new ATOM 0 HA LEU A 78 2.824 15.072 -4.337 1.00 0.29 H new ATOM 0 HB2 LEU A 78 2.988 14.893 -1.301 1.00 0.47 H new ATOM 0 HB3 LEU A 78 3.660 16.191 -2.267 1.00 0.47 H new ATOM 0 HG LEU A 78 0.709 15.508 -2.120 1.00 0.55 H new ATOM 0 HD11 LEU A 78 0.524 17.551 -0.752 1.00 1.12 H new ATOM 0 HD12 LEU A 78 1.552 16.328 0.031 1.00 1.12 H new ATOM 0 HD13 LEU A 78 2.294 17.727 -0.781 1.00 1.12 H new ATOM 0 HD21 LEU A 78 0.416 17.701 -3.209 1.00 1.00 H new ATOM 0 HD22 LEU A 78 2.183 17.880 -3.313 1.00 1.00 H new ATOM 0 HD23 LEU A 78 1.365 16.587 -4.221 1.00 1.00 H new ATOM 1252 N LEU A 79 4.432 12.658 -2.935 1.00 0.20 N ATOM 1253 CA LEU A 79 5.709 12.016 -2.663 1.00 0.20 C ATOM 1254 C LEU A 79 6.190 11.183 -3.848 1.00 0.20 C ATOM 1255 O LEU A 79 7.389 11.055 -4.081 1.00 0.22 O ATOM 1256 CB LEU A 79 5.571 11.106 -1.438 1.00 0.22 C ATOM 1257 CG LEU A 79 4.893 11.721 -0.213 1.00 0.38 C ATOM 1258 CD1 LEU A 79 5.094 10.839 1.000 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.403 13.120 0.064 1.00 0.75 C ATOM 0 H LEU A 79 3.618 12.081 -2.725 1.00 0.20 H new ATOM 0 HA LEU A 79 6.442 12.801 -2.479 1.00 0.20 H new ATOM 0 HB2 LEU A 79 5.009 10.219 -1.731 1.00 0.22 H new ATOM 0 HB3 LEU A 79 6.566 10.771 -1.146 1.00 0.22 H new ATOM 0 HG LEU A 79 3.827 11.793 -0.427 1.00 0.38 H new ATOM 0 HD11 LEU A 79 4.605 11.291 1.863 1.00 0.79 H new ATOM 0 HD12 LEU A 79 4.661 9.857 0.811 1.00 0.79 H new ATOM 0 HD13 LEU A 79 6.160 10.733 1.200 1.00 0.79 H new ATOM 0 HD21 LEU A 79 4.898 13.524 0.941 1.00 0.75 H new ATOM 0 HD22 LEU A 79 6.477 13.086 0.247 1.00 0.75 H new ATOM 0 HD23 LEU A 79 5.201 13.758 -0.797 1.00 0.75 H new ATOM 1271 N GLY A 80 5.254 10.639 -4.608 1.00 0.20 N ATOM 1272 CA GLY A 80 5.616 9.735 -5.683 1.00 0.22 C ATOM 1273 C GLY A 80 4.734 8.506 -5.696 1.00 0.19 C ATOM 1274 O GLY A 80 4.674 7.785 -6.693 1.00 0.22 O ATOM 0 H GLY A 80 4.253 10.805 -4.502 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.534 10.253 -6.638 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.658 9.435 -5.572 1.00 0.22 H new ATOM 1278 N GLU A 81 4.066 8.281 -4.558 1.00 0.17 N ATOM 1279 CA GLU A 81 3.030 7.257 -4.398 1.00 0.20 C ATOM 1280 C GLU A 81 3.382 5.906 -5.049 1.00 0.16 C ATOM 1281 O GLU A 81 4.365 5.275 -4.668 1.00 0.17 O ATOM 1282 CB GLU A 81 1.667 7.791 -4.878 1.00 0.33 C ATOM 1283 CG GLU A 81 1.702 8.533 -6.202 1.00 0.48 C ATOM 1284 CD GLU A 81 0.322 8.847 -6.737 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.505 7.916 -6.849 1.00 0.58 O ATOM 1286 OE2 GLU A 81 0.052 10.029 -7.031 1.00 0.41 O ATOM 0 H GLU A 81 4.235 8.817 -3.707 1.00 0.17 H new ATOM 0 HA GLU A 81 2.966 7.044 -3.331 1.00 0.20 H new ATOM 0 HB2 GLU A 81 0.975 6.953 -4.966 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.265 8.458 -4.115 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.258 9.462 -6.078 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.243 7.934 -6.935 1.00 0.48 H new ATOM 1293 N LEU A 82 2.574 5.488 -6.025 1.00 0.16 N ATOM 1294 CA LEU A 82 2.645 4.153 -6.628 1.00 0.18 C ATOM 1295 C LEU A 82 4.073 3.699 -6.961 1.00 0.16 C ATOM 1296 O LEU A 82 4.524 2.658 -6.481 1.00 0.20 O ATOM 1297 CB LEU A 82 1.779 4.090 -7.901 1.00 0.24 C ATOM 1298 CG LEU A 82 2.239 4.936 -9.100 1.00 0.28 C ATOM 1299 CD1 LEU A 82 1.397 4.616 -10.326 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.156 6.419 -8.788 1.00 1.19 C ATOM 0 H LEU A 82 1.841 6.074 -6.425 1.00 0.16 H new ATOM 0 HA LEU A 82 2.262 3.467 -5.872 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.723 3.050 -8.222 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.767 4.397 -7.638 1.00 0.24 H new ATOM 0 HG LEU A 82 3.280 4.687 -9.306 1.00 0.28 H new ATOM 0 HD11 LEU A 82 1.734 5.222 -11.167 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.503 3.560 -10.574 1.00 1.06 H new ATOM 0 HD13 LEU A 82 0.350 4.836 -10.116 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.487 6.992 -9.654 1.00 1.19 H new ATOM 0 HD22 LEU A 82 1.126 6.684 -8.550 1.00 1.19 H new ATOM 0 HD23 LEU A 82 2.795 6.648 -7.935 1.00 1.19 H new ATOM 1312 N ASP A 83 4.806 4.484 -7.735 1.00 0.20 N ATOM 1313 CA ASP A 83 6.124 4.051 -8.187 1.00 0.24 C ATOM 1314 C ASP A 83 7.190 4.546 -7.235 1.00 0.26 C ATOM 1315 O ASP A 83 7.973 5.444 -7.553 1.00 0.56 O ATOM 1316 CB ASP A 83 6.420 4.516 -9.615 1.00 0.34 C ATOM 1317 CG ASP A 83 5.489 3.902 -10.642 1.00 1.21 C ATOM 1318 OD1 ASP A 83 5.375 2.658 -10.670 1.00 1.72 O ATOM 1319 OD2 ASP A 83 4.868 4.655 -11.423 1.00 2.00 O ATOM 0 H ASP A 83 4.520 5.408 -8.060 1.00 0.20 H new ATOM 0 HA ASP A 83 6.130 2.961 -8.194 1.00 0.24 H new ATOM 0 HB2 ASP A 83 6.339 5.602 -9.662 1.00 0.34 H new ATOM 0 HB3 ASP A 83 7.449 4.262 -9.868 1.00 0.34 H new ATOM 1324 N TYR A 84 7.191 3.970 -6.052 1.00 0.21 N ATOM 1325 CA TYR A 84 8.120 4.345 -5.017 1.00 0.19 C ATOM 1326 C TYR A 84 9.147 3.256 -4.797 1.00 0.21 C ATOM 1327 O TYR A 84 8.791 2.135 -4.466 1.00 0.33 O ATOM 1328 CB TYR A 84 7.376 4.594 -3.713 1.00 0.19 C ATOM 1329 CG TYR A 84 7.599 5.970 -3.162 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.882 6.445 -2.954 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.530 6.793 -2.861 1.00 0.19 C ATOM 1332 CE1 TYR A 84 9.095 7.709 -2.456 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.729 8.060 -2.362 1.00 0.21 C ATOM 1334 CZ TYR A 84 8.021 8.514 -2.160 1.00 0.25 C ATOM 1335 OH TYR A 84 8.249 9.772 -1.665 1.00 0.30 O ATOM 0 H TYR A 84 6.545 3.228 -5.784 1.00 0.21 H new ATOM 0 HA TYR A 84 8.628 5.256 -5.334 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.309 4.443 -3.876 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.693 3.858 -2.974 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.728 5.814 -3.186 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.523 6.436 -3.020 1.00 0.19 H new ATOM 0 HE1 TYR A 84 10.101 8.067 -2.298 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.886 8.694 -2.130 1.00 0.21 H new ATOM 0 HH TYR A 84 8.141 10.430 -2.383 1.00 0.30 H new ATOM 1345 N GLN A 85 10.420 3.601 -4.919 1.00 0.27 N ATOM 1346 CA GLN A 85 11.495 2.639 -4.680 1.00 0.28 C ATOM 1347 C GLN A 85 11.718 2.457 -3.180 1.00 0.24 C ATOM 1348 O GLN A 85 12.759 1.956 -2.752 1.00 0.28 O ATOM 1349 CB GLN A 85 12.800 3.073 -5.366 1.00 0.40 C ATOM 1350 CG GLN A 85 13.402 4.380 -4.855 1.00 0.70 C ATOM 1351 CD GLN A 85 12.639 5.607 -5.309 1.00 0.77 C ATOM 1352 OE1 GLN A 85 12.878 6.132 -6.393 1.00 1.74 O ATOM 1353 NE2 GLN A 85 11.742 6.097 -4.467 1.00 0.74 N ATOM 0 H GLN A 85 10.737 4.535 -5.181 1.00 0.27 H new ATOM 0 HA GLN A 85 11.193 1.685 -5.112 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.537 2.280 -5.243 1.00 0.40 H new ATOM 0 HB3 GLN A 85 12.614 3.171 -6.435 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.428 4.359 -3.766 1.00 0.70 H new ATOM 0 HG3 GLN A 85 14.434 4.455 -5.197 1.00 0.70 H new ATOM 0 HE21 GLN A 85 11.572 5.632 -3.575 1.00 0.74 H new ATOM 0 HE22 GLN A 85 11.221 6.940 -4.710 1.00 0.74 H new ATOM 1362 N LEU A 86 10.689 2.824 -2.405 1.00 0.22 N ATOM 1363 CA LEU A 86 10.714 2.781 -0.939 1.00 0.24 C ATOM 1364 C LEU A 86 11.811 3.685 -0.361 1.00 0.30 C ATOM 1365 O LEU A 86 12.849 3.907 -0.983 1.00 0.34 O ATOM 1366 CB LEU A 86 10.860 1.331 -0.446 1.00 0.25 C ATOM 1367 CG LEU A 86 9.734 0.379 -0.869 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.373 1.048 -0.729 1.00 0.75 C ATOM 1369 CD2 LEU A 86 9.952 -0.121 -2.287 1.00 0.86 C ATOM 0 H LEU A 86 9.805 3.163 -2.784 1.00 0.22 H new ATOM 0 HA LEU A 86 9.763 3.170 -0.576 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.806 0.934 -0.812 1.00 0.25 H new ATOM 0 HB3 LEU A 86 10.917 1.339 0.642 1.00 0.25 H new ATOM 0 HG LEU A 86 9.753 -0.483 -0.202 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.592 0.352 -1.035 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.215 1.337 0.310 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.337 1.935 -1.362 1.00 0.75 H new ATOM 0 HD21 LEU A 86 9.141 -0.794 -2.564 1.00 0.86 H new ATOM 0 HD22 LEU A 86 9.971 0.726 -2.973 1.00 0.86 H new ATOM 0 HD23 LEU A 86 10.901 -0.654 -2.343 1.00 0.86 H new ATOM 1381 N GLN A 87 11.569 4.249 0.814 1.00 0.39 N ATOM 1382 CA GLN A 87 12.532 5.161 1.410 1.00 0.51 C ATOM 1383 C GLN A 87 13.238 4.519 2.583 1.00 0.76 C ATOM 1384 O GLN A 87 14.416 4.168 2.476 1.00 1.74 O ATOM 1385 CB GLN A 87 11.857 6.471 1.821 1.00 0.46 C ATOM 1386 CG GLN A 87 11.117 7.160 0.688 1.00 0.86 C ATOM 1387 CD GLN A 87 9.602 7.028 0.780 1.00 0.65 C ATOM 1388 OE1 GLN A 87 8.935 7.848 1.411 1.00 1.18 O ATOM 1389 NE2 GLN A 87 9.049 6.004 0.139 1.00 0.48 N ATOM 0 H GLN A 87 10.726 4.094 1.366 1.00 0.39 H new ATOM 0 HA GLN A 87 13.286 5.393 0.658 1.00 0.51 H new ATOM 0 HB2 GLN A 87 11.156 6.269 2.631 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.613 7.150 2.215 1.00 0.46 H new ATOM 0 HG2 GLN A 87 11.382 8.217 0.682 1.00 0.86 H new ATOM 0 HG3 GLN A 87 11.453 6.742 -0.261 1.00 0.86 H new ATOM 0 HE21 GLN A 87 9.636 5.346 -0.373 1.00 0.48 H new ATOM 0 HE22 GLN A 87 8.037 5.876 0.159 1.00 0.48 H new ATOM 1398 N ASP A 88 12.534 4.393 3.692 1.00 0.43 N ATOM 1399 CA ASP A 88 13.020 3.640 4.832 1.00 0.40 C ATOM 1400 C ASP A 88 12.041 3.725 5.997 1.00 0.32 C ATOM 1401 O ASP A 88 11.623 4.820 6.381 1.00 0.36 O ATOM 1402 CB ASP A 88 14.404 4.103 5.297 1.00 0.56 C ATOM 1403 CG ASP A 88 14.826 3.433 6.589 1.00 1.40 C ATOM 1404 OD1 ASP A 88 14.833 2.182 6.638 1.00 2.44 O ATOM 1405 OD2 ASP A 88 15.133 4.149 7.564 1.00 1.53 O ATOM 0 H ASP A 88 11.612 4.808 3.828 1.00 0.43 H new ATOM 0 HA ASP A 88 13.107 2.606 4.500 1.00 0.40 H new ATOM 0 HB2 ASP A 88 15.138 3.886 4.521 1.00 0.56 H new ATOM 0 HB3 ASP A 88 14.396 5.184 5.436 1.00 0.56 H new ATOM 1410 N GLN A 89 11.678 2.565 6.545 1.00 0.31 N ATOM 1411 CA GLN A 89 10.734 2.474 7.667 1.00 0.34 C ATOM 1412 C GLN A 89 9.386 3.075 7.277 1.00 0.34 C ATOM 1413 O GLN A 89 8.589 3.461 8.133 1.00 0.42 O ATOM 1414 CB GLN A 89 11.273 3.185 8.918 1.00 0.40 C ATOM 1415 CG GLN A 89 12.637 2.702 9.402 1.00 0.62 C ATOM 1416 CD GLN A 89 12.780 1.190 9.409 1.00 0.77 C ATOM 1417 OE1 GLN A 89 12.367 0.516 10.353 1.00 1.56 O ATOM 1418 NE2 GLN A 89 13.431 0.656 8.389 1.00 0.71 N ATOM 0 H GLN A 89 12.028 1.661 6.227 1.00 0.31 H new ATOM 0 HA GLN A 89 10.607 1.417 7.903 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.336 4.253 8.711 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.553 3.059 9.727 1.00 0.40 H new ATOM 0 HG2 GLN A 89 13.411 3.129 8.764 1.00 0.62 H new ATOM 0 HG3 GLN A 89 12.810 3.080 10.410 1.00 0.62 H new ATOM 0 HE21 GLN A 89 13.757 1.249 7.626 1.00 0.71 H new ATOM 0 HE22 GLN A 89 13.607 -0.348 8.366 1.00 0.71 H new ATOM 1427 N ASP A 90 9.136 3.125 5.976 1.00 0.30 N ATOM 1428 CA ASP A 90 7.966 3.803 5.443 1.00 0.34 C ATOM 1429 C ASP A 90 6.698 3.090 5.865 1.00 0.32 C ATOM 1430 O ASP A 90 6.489 1.926 5.527 1.00 0.45 O ATOM 1431 CB ASP A 90 8.035 3.866 3.916 1.00 0.45 C ATOM 1432 CG ASP A 90 9.382 4.301 3.424 1.00 0.75 C ATOM 1433 OD1 ASP A 90 9.783 5.424 3.752 1.00 1.17 O ATOM 1434 OD2 ASP A 90 10.044 3.522 2.708 1.00 1.06 O ATOM 0 H ASP A 90 9.734 2.700 5.267 1.00 0.30 H new ATOM 0 HA ASP A 90 7.951 4.817 5.842 1.00 0.34 H new ATOM 0 HB2 ASP A 90 7.800 2.885 3.503 1.00 0.45 H new ATOM 0 HB3 ASP A 90 7.276 4.557 3.549 1.00 0.45 H new ATOM 1439 N SER A 91 5.864 3.779 6.621 1.00 0.23 N ATOM 1440 CA SER A 91 4.601 3.253 7.014 1.00 0.21 C ATOM 1441 C SER A 91 3.577 3.553 5.938 1.00 0.17 C ATOM 1442 O SER A 91 3.045 4.658 5.861 1.00 0.17 O ATOM 1443 CB SER A 91 4.204 3.896 8.319 1.00 0.25 C ATOM 1444 OG SER A 91 5.209 3.708 9.304 1.00 1.14 O ATOM 0 H SER A 91 6.057 4.717 6.972 1.00 0.23 H new ATOM 0 HA SER A 91 4.657 2.172 7.145 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.034 4.962 8.167 1.00 0.25 H new ATOM 0 HB3 SER A 91 3.263 3.469 8.668 1.00 0.25 H new ATOM 0 HG SER A 91 4.931 4.135 10.141 1.00 1.14 H new ATOM 1450 N ILE A 92 3.347 2.581 5.088 1.00 0.17 N ATOM 1451 CA ILE A 92 2.412 2.725 3.996 1.00 0.15 C ATOM 1452 C ILE A 92 1.052 2.239 4.451 1.00 0.14 C ATOM 1453 O ILE A 92 0.832 1.040 4.624 1.00 0.17 O ATOM 1454 CB ILE A 92 2.863 1.929 2.752 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.363 2.135 2.484 1.00 0.19 C ATOM 1456 CG2 ILE A 92 2.042 2.333 1.535 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.786 3.588 2.393 1.00 0.21 C ATOM 0 H ILE A 92 3.802 1.669 5.133 1.00 0.17 H new ATOM 0 HA ILE A 92 2.366 3.777 3.714 1.00 0.15 H new ATOM 0 HB ILE A 92 2.696 0.870 2.947 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.932 1.652 3.279 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.626 1.633 1.553 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.373 1.762 0.667 1.00 0.19 H new ATOM 0 HG22 ILE A 92 0.988 2.129 1.723 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.177 3.397 1.342 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.858 3.644 2.203 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.247 4.074 1.579 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.558 4.093 3.332 1.00 0.21 H new ATOM 1469 N LEU A 93 0.149 3.168 4.662 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.139 2.836 5.226 1.00 0.14 C ATOM 1471 C LEU A 93 -2.252 3.249 4.279 1.00 0.14 C ATOM 1472 O LEU A 93 -2.312 4.398 3.839 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.308 3.527 6.583 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.138 2.761 7.623 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.401 3.630 8.838 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.448 2.280 7.033 1.00 0.56 C ATOM 0 H LEU A 93 0.282 4.157 4.452 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.194 1.757 5.371 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.319 3.713 7.001 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.773 4.499 6.419 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.562 1.888 7.931 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -2.991 3.071 9.565 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.452 3.922 9.288 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -2.949 4.522 8.535 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -4.013 1.741 7.793 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -4.028 3.136 6.688 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -3.246 1.616 6.192 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.123 2.302 3.965 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.286 2.581 3.148 1.00 0.14 C ATOM 1490 C PHE A 94 -5.458 2.983 4.041 1.00 0.13 C ATOM 1491 O PHE A 94 -5.957 2.183 4.843 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.655 1.351 2.311 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.573 0.914 1.359 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.454 0.243 1.823 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.675 1.174 0.000 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.459 -0.161 0.951 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.686 0.770 -0.875 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.571 0.113 -0.399 1.00 0.33 C ATOM 0 H PHE A 94 -3.043 1.331 4.267 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.055 3.403 2.471 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.891 0.525 2.982 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.559 1.568 1.743 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.357 0.033 2.878 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.539 1.699 -0.379 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.595 -0.690 1.325 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -2.786 0.969 -1.932 1.00 0.31 H new ATOM 0 HZ PHE A 94 -0.787 -0.187 -1.079 1.00 0.33 H new ATOM 1508 N ILE A 95 -5.900 4.217 3.892 1.00 0.13 N ATOM 1509 CA ILE A 95 -6.977 4.756 4.704 1.00 0.17 C ATOM 1510 C ILE A 95 -8.183 5.070 3.841 1.00 0.18 C ATOM 1511 O ILE A 95 -8.182 6.047 3.096 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.539 6.040 5.449 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.444 5.718 6.463 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -7.724 6.701 6.146 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -5.878 4.722 7.513 1.00 1.16 C ATOM 0 H ILE A 95 -5.525 4.873 3.207 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.238 3.997 5.442 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.144 6.739 4.712 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -4.574 5.325 5.936 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.130 6.639 6.953 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.387 7.601 6.661 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.479 6.968 5.406 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.154 6.008 6.869 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -5.054 4.537 8.202 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -6.729 5.122 8.064 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -6.165 3.787 7.031 1.00 1.16 H new ATOM 1527 N SER A 96 -9.202 4.234 3.917 1.00 0.20 N ATOM 1528 CA SER A 96 -10.422 4.509 3.199 1.00 0.24 C ATOM 1529 C SER A 96 -11.166 5.632 3.895 1.00 0.28 C ATOM 1530 O SER A 96 -11.589 5.500 5.046 1.00 0.35 O ATOM 1531 CB SER A 96 -11.292 3.256 3.096 1.00 0.31 C ATOM 1532 OG SER A 96 -12.459 3.496 2.327 1.00 0.37 O ATOM 0 H SER A 96 -9.206 3.372 4.462 1.00 0.20 H new ATOM 0 HA SER A 96 -10.178 4.817 2.182 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.717 2.448 2.644 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.575 2.925 4.095 1.00 0.31 H new ATOM 0 HG SER A 96 -12.993 2.676 2.278 1.00 0.37 H new ATOM 1538 N THR A 97 -11.304 6.744 3.200 1.00 0.27 N ATOM 1539 CA THR A 97 -11.966 7.897 3.759 1.00 0.36 C ATOM 1540 C THR A 97 -13.457 7.839 3.434 1.00 0.48 C ATOM 1541 O THR A 97 -14.235 8.718 3.809 1.00 0.58 O ATOM 1542 CB THR A 97 -11.332 9.207 3.237 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.785 10.324 4.010 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.659 9.435 1.769 1.00 0.35 C ATOM 0 H THR A 97 -10.965 6.870 2.246 1.00 0.27 H new ATOM 0 HA THR A 97 -11.842 7.886 4.842 1.00 0.36 H new ATOM 0 HB THR A 97 -10.251 9.112 3.338 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.712 10.174 4.290 1.00 0.43 H new ATOM 0 HG21 THR A 97 -11.198 10.364 1.434 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.274 8.605 1.177 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.740 9.500 1.643 1.00 0.35 H new